A0A077Z438_TRITR Loading...

Anaphase-promoting complex subunit 11

AlphaFold DB , UniProt , Accession A0A077Z438, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 746 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	49.5	Very low	57.3	Low	209 Å²	209	140.7 Å²	140.7	100%	1.03	68%	0.683	S	S	*	*				0	-37.7	0	-67.2	-156.3	-139.6	0	0	113.5	Q3 Q4	M1-Q3 PolarHBondContact O-N 3.41Å; M1-Q4 PolarHBondContact O-N 3.35Å
2	S	54	Low	57	Low	96 Å²	96	142.5 Å²	142.5	67%	0.671	69%	0.685	S	S	*	*	H	α-helix	trans	-65.1	-35.7	-179.8	48	0	0	0	0	115.1	Q5 Q6	S2-Q5 PolarHBondContact O-N 2.81Å; S2-Q6 PolarHBondContact O-N 2.93Å
3	Q	55.7	Low	56.2	Low	155 Å²	155	139.8 Å²	139.8	72%	0.724	68%	0.677	S	S	*	*	H	α-helix	trans	-70.7	-30.6	177.9	-75.9	-175.7	5.9	0	0	113.7	M1 Q6 Q7	M1-Q3 PolarHBondContact O-N 3.41Å; Q3-Q6 PolarHBondContact O-N 3.14Å; Q3-Q7 PolarHBondContact O-N 2.99Å
4	Q	60.4	Low	55.4	Low	142 Å²	142	140.4 Å²	140.4	66%	0.664	68%	0.677	S	S	*	*	H	α-helix	trans	-70.3	-34.8	176.8	-108.4	177.5	-3.8	0	0	112.2	M1 Q7 Q8	M1-Q4 PolarHBondContact O-N 3.35Å; Q4-Q7 PolarHBondContact O-N 3.39Å; Q4-Q8 PolarHBondContact O-N 3.38Å; Q4-Q8 VanDerWaalsContact O-N 3.14Å
5	Q	58.6	Low	54.5	Low	146 Å²	146	144.5 Å²	144.5	68%	0.682	68%	0.683	S	S	*	*	H	α-helix	trans	-66.8	-38.8	174.3	-94.6	-179.8	-4.1	0	0	112.5	S2 Q8 Q9	S2-Q5 PolarHBondContact O-N 2.81Å; Q5-Q8 PolarHBondContact O-N 2.72Å; Q5-Q9 PolarHBondContact O-N 2.66Å; Q5-Q9 VanDerWaalsContact O-N 3.09Å
6	Q	59.9	Low	53.7	Low	129 Å²	129	139.8 Å²	139.8	60%	0.603	67%	0.671	S	S	*	*	H	α-helix	trans	-66.9	-37.9	176.6	-91.4	-178	-6.4	0	0	112.9	S2 Q3 Q9 Q10	S2-Q6 PolarHBondContact O-N 2.93Å; Q3-Q6 PolarHBondContact O-N 3.14Å; Q6-Q9 PolarHBondContact O-N 3.16Å; Q6-Q10 WeakPolarHBondContact O-CG 3.45Å; Q6-Q10 PolarHBondContact O-N 3Å
7	Q	62.7	Low	52.7	Low	131 Å²	131	141.1 Å²	141.1	61%	0.612	68%	0.678	S	S	*	*	H	α-helix	trans	-68.4	-38.5	176.2	-81	-176.3	-6	0	0	112.7	Q3 Q4 Q9 Q10 Q11	Q3-Q7 PolarHBondContact O-N 2.99Å; Q4-Q7 PolarHBondContact O-N 3.39Å; Q7-Q9 VanDerWaalsContact C-N 3.33Å; Q7-Q9 PolarHBondContact O-N 2.96Å; Q7-Q10 PolarHBondContact O-N 2.93Å; Q7-Q11 PolarHBondContact O-N 3.03Å
8	Q	60.5	Low	51.7	Low	139 Å²	139	142.8 Å²	142.8	65%	0.65	69%	0.685	S	S	*	*	H	α-helix	trans	-64.8	-38.1	174.5	-80.8	-175.8	-0.1	0	0	112.1	Q4 Q5 Q11 F12	Q4-Q8 PolarHBondContact O-N 3.38Å; Q4-Q8 VanDerWaalsContact O-N 3.14Å; Q5-Q8 PolarHBondContact O-N 2.72Å; Q8-Q11 PolarHBondContact O-N 3.28Å; Q8-F12 WeakPolarHBondContact O-CB 3.28Å; Q8-F12 PolarHBondContact O-N 3.25Å
9	Q	57	Low	50.7	Low	138 Å²	138	144.3 Å²	144.3	65%	0.645	69%	0.691	S	S	*	*	H	α-helix	trans	-71.4	-34.1	179.9	-150.4	162.1	33.6	0	0	112.4	Q5 Q6 Q7 N13	Q5-Q9 PolarHBondContact O-N 2.66Å; Q5-Q9 VanDerWaalsContact O-N 3.09Å; Q6-Q9 PolarHBondContact O-N 3.16Å; Q7-Q9 VanDerWaalsContact C-N 3.33Å; Q7-Q9 PolarHBondContact O-N 2.96Å; Q9-N13 PolarHBondContact O-N 2.84Å; Q9-N13 VanDerWaalsContact O-N 3.15Å
10	Q	57.8	Low	49.7	Very low	132 Å²	132	146.2 Å²	146.2	62%	0.617	70%	0.699	S	S	*	*	H	α-helix	trans	-70.4	-38.7	173	-74	-177	-1	0	0	112.7	Q6 Q7 F12 N13 Q14	Q6-Q10 WeakPolarHBondContact O-CG 3.45Å; Q6-Q10 PolarHBondContact O-N 3Å; Q7-Q10 PolarHBondContact O-N 2.93Å; Q10-F12 VanDerWaalsContact C-N 3.34Å; Q10-N13 PolarHBondContact O-N 3.35Å; Q10-Q14 PolarHBondContact O-N 3.35Å; Q10-Q14 VanDerWaalsContact O-N 3.1Å
11	Q	53.7	Low	48.7	Very low	131 Å²	131	150.3 Å²	150.3	61%	0.612	71%	0.707	S	S	*	*	H	α-helix	trans	-66.4	-35.2	174.1	-80.4	-174.3	-2.5	0	0	112.6	Q7 Q8 R15	Q7-Q11 PolarHBondContact O-N 3.03Å; Q8-Q11 PolarHBondContact O-N 3.28Å; Q11-R15 PolarHBondContact O-N 3.34Å
12	F	54.4	Low	47.7	Very low	162 Å²	162	146.1 Å²	146.1	71%	0.711	70%	0.696	S	S	*	*	H	α-helix	trans	-66.6	-41	176	-149.4	-90.5	0	0	0	111.7	Q8 Q10 R15 S16	Q8-F12 WeakPolarHBondContact O-CB 3.28Å; Q8-F12 PolarHBondContact O-N 3.25Å; Q10-F12 VanDerWaalsContact C-N 3.34Å; F12-R15 PolarHBondContact O-N 3.24Å; F12-S16 PolarHBondContact O-N 3.48Å
13	N	46.2	Very low	46.4	Very low	108 Å²	108	150 Å²	150	58%	0.578	70%	0.704	S	S	*	*	H	α-helix	trans	-67.4	-37.1	177.3	-87.4	-6.5	0	0	0	113	Q9 Q10 S16 M17	Q9-N13 PolarHBondContact O-N 2.84Å; Q9-N13 VanDerWaalsContact O-N 3.15Å; Q10-N13 PolarHBondContact O-N 3.35Å; N13-S16 PolarHBondContact O-N 3.39Å; N13-S16 PolarHBondContact O-OG 2.96Å; N13-M17 PolarHBondContact O-N 2.93Å
14	Q	45	Very low	45.1	Very low	147 Å²	147	148 Å²	148	69%	0.687	71%	0.707	S	S	*	*	H	α-helix	trans	-68.9	-34.5	176.4	-77.4	-174.3	5.6	0	0	113.1	Q10 M17	Q10-Q14 PolarHBondContact O-N 3.35Å; Q10-Q14 VanDerWaalsContact O-N 3.1Å; Q14-M17 PolarHBondContact O-N 2.9Å
15	R	41.5	Very low	43.6	Very low	202 Å²	202	146.8 Å²	146.8	76%	0.762	71%	0.709	S	S	*	*	H	α-helix	trans	-69.8	-31	174.9	-75.6	-173.7	174.3	-170.4	-0.5	113	Q11 F12 M17	Q11-R15 PolarHBondContact O-N 3.34Å; F12-R15 PolarHBondContact O-N 3.24Å; R15-M17 VanDerWaalsContact C-N 3.3Å; R15-M17 PolarHBondContact O-N 3.01Å
16	S	43.1	Very low	42	Very low	70 Å²	70	147.7 Å²	147.7	49%	0.49	72%	0.717	S	S	.	*	H	α-helix	trans	-68.7	-26.7	176.9	77.1	0	0	0	0	113.7	F12 N13	F12-S16 PolarHBondContact O-N 3.48Å; N13-S16 PolarHBondContact O-N 3.39Å; N13-S16 PolarHBondContact O-OG 2.96Å
17	M	35.4	Very low	40.4	Very low	162 Å²	162	148.8 Å²	148.8	80%	0.798	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-8.3	-177.6	-77.8	-75.1	-81	0	0	114.4	N13 Q14 R15	N13-M17 PolarHBondContact O-N 2.93Å; Q14-M17 PolarHBondContact O-N 2.9Å; R15-M17 VanDerWaalsContact C-N 3.3Å; R15-M17 PolarHBondContact O-N 3.01Å
18	Q	35.6	Very low	38.7	Very low	172 Å²	172	151.3 Å²	151.3	80%	0.804	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-0.2	-179.3	-76.1	-173.7	-4.2	0	0	115.2
19	Q	32.2	Very low	37	Very low	171 Å²	171	153.7 Å²	153.7	80%	0.799	75%	0.749	S	S	*	*	S	Bend	trans	-95.6	8.8	178.9	-79.9	-170.2	-10.5	0	0	115.9
20	H	31.5	Very low	35.5	Very low	181 Å²	181	155.8 Å²	155.8	84%	0.838	76%	0.759	S	S	*	*			trans	-120.4	59.7	172	-72.9	-57.9	0	0	0	111.8
21	R	27.3	Very low	34.1	Very low	233 Å²	233	155.1 Å²	155.1	88%	0.879	77%	0.766	S	S	*	*			trans	-103	105.2	160	-137.9	177.5	-172.2	175.2	1.5	107.1	E23	R21-E23 PolarHBondContact O-N 3.48Å; R21-E23 VanDerWaalsContact O-N 3.13Å
22	P	28.8	Very low	32.8	Very low	121 Å²	121	155.2 Å²	155.2	79%	0.786	78%	0.776	S	S	*	*			trans	-67.7	114.7	-178.7	25.5	-29.9	0	0	0	108.6	S24	P22-S24 PolarHBondContact O-N 3.2Å; P22-S24 VanDerWaalsContact O-N 3.12Å
23	E	27.9	Very low	31.5	Very low	179 Å²	179	152 Å²	152	84%	0.836	78%	0.779	S	S	*	*			trans	-57.7	115.4	167	-76.7	-179.2	143.8	0	0	108.4	R21 V25	R21-E23 PolarHBondContact O-N 3.48Å; R21-E23 VanDerWaalsContact O-N 3.13Å; E23-V25 VanDerWaalsContact C-N 3.26Å; E23-V25 PolarHBondContact O-N 3.31Å
24	S	27.9	Very low	30.5	Very low	113 Å²	113	157.4 Å²	157.4	79%	0.79	79%	0.791	S	S	*	*			trans	-63.5	86.9	170	47.9	0	0	0	0	108.9	P22 L26	P22-S24 PolarHBondContact O-N 3.2Å; P22-S24 VanDerWaalsContact O-N 3.12Å; S24-L26 PolarHBondContact O-N 3.32Å
25	V	29.1	Very low	29.5	Very low	116 Å²	116	158.4 Å²	158.4	70%	0.703	80%	0.799	S	S	*	*			trans	-66.2	104.6	166.3	-179.8	0	0	0	0	106.8	E23 L27	E23-V25 VanDerWaalsContact C-N 3.26Å; E23-V25 PolarHBondContact O-N 3.31Å; V25-L27 HydrophobicContact CG1-CD1 4.24Å; V25-L27 PolarHBondContact O-N 3.01Å
26	L	25.1	Very low	28.5	Very low	165 Å²	165	155.8 Å²	155.8	86%	0.864	80%	0.798	S	S	*	*			trans	-64.5	79.6	174.8	-146.4	94.4	0	0	0	108.5	S24 Q28	S24-L26 PolarHBondContact O-N 3.32Å; L26-Q28 PolarHBondContact O-N 2.97Å
27	L	26.1	Very low	27.7	Very low	152 Å²	152	157.9 Å²	157.9	80%	0.796	81%	0.81	S	S	*	*			trans	-67.5	104.4	171.7	-102.1	119.4	0	0	0	108.3	V25 Q29	V25-L27 HydrophobicContact CG1-CD1 4.24Å; V25-L27 PolarHBondContact O-N 3.01Å; L27-Q29 PolarHBondContact O-N 3.17Å
28	Q	25.9	Very low	27.2	Very low	184 Å²	184	160.7 Å²	160.7	86%	0.86	81%	0.813	S	S	*	*			trans	-39.7	118.4	166	-98.9	171	4.6	0	0	110.3	L26 Q30	L26-Q28 PolarHBondContact O-N 2.97Å; Q28-Q30 PolarHBondContact O-N 3.32Å
29	Q	25.6	Very low	26.7	Very low	188 Å²	188	161.5 Å²	161.5	88%	0.879	82%	0.817	S	S	*	*			trans	-63	100.4	171.3	-64.6	175.5	21.3	0	0	108.3	L27	L27-Q29 PolarHBondContact O-N 3.17Å
30	Q	24.8	Very low	26.5	Very low	182 Å²	182	161.8 Å²	161.8	85%	0.85	82%	0.818	S	S	*	*			trans	-70.6	123.8	160.4	-84.3	-177.5	-2.1	0	0	107.8	Q28 T32	Q28-Q30 PolarHBondContact O-N 3.32Å; Q30-T32 PolarHBondContact O-N 2.79Å
31	P	29.8	Very low	26.2	Very low	119 Å²	119	162 Å²	162	77%	0.773	82%	0.819	S	S	*	*			trans	-68	123.1	-171.2	25.3	-31.9	0	0	0	110.3	A33	P31-A33 PolarHBondContact O-N 3.39Å
32	T	26.5	Very low	26.1	Very low	133 Å²	133	155 Å²	155	82%	0.816	81%	0.811	S	S	*	*			trans	-41.4	118.2	167.1	38.8	0	0	0	0	110.8	Q30 R34	Q30-T32 PolarHBondContact O-N 2.79Å; T32-R34 PolarHBondContact O-N 3.46Å
33	A	25.4	Very low	26.1	Very low	93 Å²	93	155 Å²	155	77%	0.769	81%	0.811	S	S	*	*			trans	-50.7	104.8	171.1	0	0	0	0	0	109.6	P31 I35	P31-A33 PolarHBondContact O-N 3.39Å; A33-I35 PolarHBondContact O-N 3.36Å; A33-I35 VanDerWaalsContact O-N 3.1Å
34	R	25	Very low	26	Very low	223 Å²	223	156 Å²	156	84%	0.842	82%	0.816	S	S	*	*			trans	-60.4	112.7	166	-87.8	-177.9	172.2	177.8	-2.3	106.9	T32 M36	T32-R34 PolarHBondContact O-N 3.46Å; R34-M36 VanDerWaalsContact C-N 3.28Å; R34-M36 PolarHBondContact O-N 3.49Å
35	I	24.2	Very low	26.2	Very low	167 Å²	167	155 Å²	155	86%	0.856	81%	0.814	S	S	*	*			trans	-60.4	95.8	165	-61.6	169.8	0	0	0	106.1	A33	A33-I35 PolarHBondContact O-N 3.36Å; A33-I35 VanDerWaalsContact O-N 3.1Å
36	M	21.6	Very low	26.2	Very low	147 Å²	147	157.1 Å²	157.1	72%	0.724	82%	0.822	S	S	*	*			trans	-69.8	128.1	168.7	-78.9	-105.5	171.6	0	0	107.7	R34 Y38	R34-M36 VanDerWaalsContact C-N 3.28Å; R34-M36 PolarHBondContact O-N 3.49Å; M36-Y38 PolarHBondContact O-N 2.9Å
37	P	26.8	Very low	26.3	Very low	115 Å²	115	157.6 Å²	157.6	75%	0.747	83%	0.825	S	S	*	*			trans	-67.7	124.4	177.7	26.7	-30.2	0	0	0	109	Q39	P37-Q39 PolarHBondContact O-N 3.29Å
38	Y	24.1	Very low	26.5	Very low	220 Å²	220	155 Å²	155	86%	0.863	83%	0.826	S	S	*	*			trans	-55.3	102.8	172.7	-85.8	-98.6	0	0	0	109.9	M36 H40	M36-Y38 PolarHBondContact O-N 2.9Å; Y38-H40 PolarHBondContact O-N 2.87Å
39	Q	24.7	Very low	26.6	Very low	190 Å²	190	150.3 Å²	150.3	89%	0.888	83%	0.827	S	S	*	*			trans	-71.9	102.7	160.2	-103.5	178.1	-19	0	0	107.3	P37 Q41	P37-Q39 PolarHBondContact O-N 3.29Å; Q39-Q41 PolarHBondContact O-N 3.01Å
40	H	28.3	Very low	26.8	Very low	177 Å²	177	144.9 Å²	144.9	82%	0.819	82%	0.821	S	S	*	*			trans	-60.6	106.6	167.4	-86	-80.2	0	0	0	109.2	Y38 A42	Y38-H40 PolarHBondContact O-N 2.87Å; H40-A42 PolarHBondContact O-N 3.12Å
41	Q	24.8	Very low	26.8	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	82%	0.823	S	S	*	*			trans	-66.7	110.4	156.7	-80.5	178.5	-7.9	0	0	107.4	Q39	Q39-Q41 PolarHBondContact O-N 3.01Å
42	A	26.5	Very low	26.7	Very low	86 Å²	86	150.2 Å²	150.2	71%	0.711	83%	0.83	S	S	*	*			trans	-61.5	125.2	173.2	0	0	0	0	0	109.2	H40 Q44	H40-A42 PolarHBondContact O-N 3.12Å; A42-Q44 PolarHBondContact O-N 3.46Å
43	P	28.8	Very low	26.8	Very low	121 Å²	121	150.1 Å²	150.1	79%	0.786	83%	0.829	S	S	*	*			trans	-67.6	123.6	170.9	-9.7	24.1	0	0	0	108.6	A45	P43-A45 VanDerWaalsContact C-N 3.33Å; P43-A45 PolarHBondContact O-N 3.26Å
44	Q	25.6	Very low	26.8	Very low	199 Å²	199	148.6 Å²	148.6	93%	0.93	82%	0.823	S	S	*	*			trans	-59.7	95	166.7	-75.1	173.2	-11	0	0	108.6	A42	A42-Q44 PolarHBondContact O-N 3.46Å
45	A	31	Very low	27	Very low	92 Å²	92	146.8 Å²	146.8	76%	0.76	82%	0.823	S	S	*	*			trans	-85	113.8	170.4	0	0	0	0	0	108.2	P43 N47	P43-A45 VanDerWaalsContact C-N 3.33Å; P43-A45 PolarHBondContact O-N 3.26Å; A45-N47 PolarHBondContact O-N 3.45Å
46	N	30.2	Very low	27	Very low	162 Å²	162	143.5 Å²	143.5	87%	0.866	82%	0.821	S	S	*	*			trans	-48.1	128.7	175.2	-91.3	-24.9	0	0	0	112.1	A48	N46-A48 PolarHBondContact O-N 2.82Å; N46-A48 VanDerWaalsContact O-N 3.13Å
47	N	27.2	Very low	27.3	Very low	175 Å²	175	144.8 Å²	144.8	94%	0.936	83%	0.825	S	S	*	*			trans	-53.3	109.1	165.8	-85.2	-29.5	0	0	0	110.6	A45	A45-N47 PolarHBondContact O-N 3.45Å
48	A	30.5	Very low	27.4	Very low	98 Å²	98	144.2 Å²	144.2	81%	0.81	82%	0.824	S	S	*	*			trans	-118.8	100	156.5	0	0	0	0	0	107.3	N46 G50	N46-A48 PolarHBondContact O-N 2.82Å; N46-A48 VanDerWaalsContact O-N 3.13Å; A48-G50 PolarHBondContact O-N 3.01Å
49	G	26.4	Very low	27.5	Very low	85 Å²	85	142.5 Å²	142.5	88%	0.876	82%	0.823	S	S	*	*			trans	-64.3	120.6	179.5	0	0	0	0	0	111.5
50	G	30.4	Very low	27.7	Very low	73 Å²	73	142.1 Å²	142.1	75%	0.753	82%	0.822	S	S	*	*			trans	-121.9	90.3	168.3	0	0	0	0	0	108.8	A48 L52	A48-G50 PolarHBondContact O-N 3.01Å; G50-L52 PolarHBondContact O-N 3.28Å
51	R	24.3	Very low	27.6	Very low	238 Å²	238	144.9 Å²	144.9	90%	0.898	83%	0.825	S	S	*	*			trans	-65.4	111.5	176.1	-142.4	178	-173.8	-174.6	1	108.2
52	L	29.3	Very low	27.6	Very low	176 Å²	176	144.4 Å²	144.4	92%	0.921	83%	0.825	S	S	*	*			trans	-123.5	114.3	164.9	-84.1	167.1	0	0	0	109	G50	G50-L52 PolarHBondContact O-N 3.28Å
53	V	28.2	Very low	27.9	Very low	131 Å²	131	145.7 Å²	145.7	79%	0.794	83%	0.826	S	S	*	*			trans	-82.7	129.4	-172.5	173	0	0	0	0	109.5
54	G	25.4	Very low	28.3	Very low	61 Å²	61	146 Å²	146	63%	0.629	83%	0.828	S	S	*	*			trans	46.9	110.1	139.6	0	0	0	0	0	119.7
55	H	29.3	Very low	28.3	Very low	185 Å²	185	141.2 Å²	141.2	86%	0.856	82%	0.816	S	S	*	*			trans	-133.2	111.3	134.6	-103.9	-76	0	0	0	108.5
56	A	24.6	Very low	28.3	Very low	97 Å²	97	148.1 Å²	148.1	80%	0.802	82%	0.824	S	S	*	*			trans	-92.1	116.9	171.8	0	0	0	0	0	108
57	E	27.6	Very low	28.3	Very low	175 Å²	175	144.2 Å²	144.2	82%	0.818	82%	0.822	S	S	*	*			trans	-133.6	104.8	165	-77.8	-170.1	146.6	0	0	110.6
58	S	29.1	Very low	28.5	Very low	102 Å²	102	147.9 Å²	147.9	71%	0.713	82%	0.823	S	S	*	*			trans	19.8	114.6	148.2	53	0	0	0	0	119.8	Q60	S58-Q60 PolarHBondContact O-N 2.68Å
59	Q	26.3	Very low	28.5	Very low	184 Å²	184	150 Å²	150	86%	0.86	83%	0.825	S	S	*	*			trans	-62.9	112.1	161.4	-66.6	170.8	-5.4	0	0	111.3
60	Q	28.3	Very low	28.6	Very low	182 Å²	182	150.4 Å²	150.4	85%	0.85	82%	0.82	S	S	*	*			trans	-93.1	110.3	161	-75.1	-174.6	-6.9	0	0	109.5	S58 M62	S58-Q60 PolarHBondContact O-N 2.68Å; Q60-M62 PolarHBondContact O-N 2.89Å
61	R	26.7	Very low	28.7	Very low	235 Å²	235	151.8 Å²	151.8	89%	0.887	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-69.9	119.8	173	-73.5	-177.8	-176	-152.5	1.2	109.9
62	M	24.4	Very low	28.9	Very low	176 Å²	176	147.1 Å²	147.1	87%	0.867	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-84.1	144.7	165.9	-76.7	-74.9	-124.6	0	0	110.7	Q60	Q60-M62 PolarHBondContact O-N 2.89Å
63	P	31.8	Very low	29.5	Very low	112 Å²	112	144 Å²	144	73%	0.727	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-86.1	155.9	-169.3	34.4	-34.2	0	0	0	113.2
64	P	38.2	Very low	29.7	Very low	129 Å²	129	146.7 Å²	146.7	84%	0.838	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-95.3	130.1	-179	35.7	-28	0	0	0	111
65	S	25.2	Very low	29.9	Very low	97 Å²	97	153 Å²	153	68%	0.678	83%	0.832	S	S	*	*			trans	-168.7	110.6	166.7	149.4	0	0	0	0	109
66	Y	30.1	Very low	30	Very low	238 Å²	238	147.9 Å²	147.9	93%	0.933	83%	0.83	S	S	*	*			trans	-151.7	115.7	134.3	-85.5	-67.4	0	0	0	108.5
67	G	31.5	Very low	30.1	Very low	79 Å²	79	147.4 Å²	147.4	81%	0.814	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-64.1	145.2	-175.7	0	0	0	0	0	113.4
68	R	31.2	Very low	30.3	Very low	252 Å²	252	143 Å²	143	95%	0.951	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-95.6	116.9	175.6	-149.4	177.4	-166.7	-178.9	2.6	107.3	A70	R68-A70 PolarHBondContact O-N 3.08Å
69	V	31	Very low	30.2	Very low	143 Å²	143	142.1 Å²	142.1	87%	0.867	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-69.9	126.4	177.5	179.5	0	0	0	0	109
70	A	28.3	Very low	30.5	Very low	93 Å²	93	138.2 Å²	138.2	77%	0.769	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-73	134.5	177.9	0	0	0	0	0	111.1	R68	R68-A70 PolarHBondContact O-N 3.08Å
71	A	31.3	Very low	30.6	Very low	102 Å²	102	136.1 Å²	136.1	84%	0.843	84%	0.842	S	S	*	*			trans	-112.9	121.1	163.1	0	0	0	0	0	107.6
72	T	29.3	Very low	31.1	Very low	140 Å²	140	130.7 Å²	130.7	86%	0.859	84%	0.837	S	S	*	*			trans	-70.7	157.4	-177.3	15.2	0	0	0	0	112.9
73	P	42.4	Very low	31.6	Very low	110 Å²	110	130.8 Å²	130.8	71%	0.714	84%	0.84	S	S	*	*			trans	-97.3	146.4	-160.2	36.7	-31.5	0	0	0	113.3
74	M	30.9	Very low	31.4	Very low	188 Å²	188	136.6 Å²	136.6	93%	0.926	85%	0.847	S	S	*	*			trans	-93.5	114.3	162.9	-71.7	-114.4	78.1	0	0	108.9
75	Q	30.3	Very low	30.8	Very low	193 Å²	193	137 Å²	137	90%	0.902	84%	0.842	S	S	*	*			trans	-70.6	132.3	168.8	-76.6	172.9	-14.1	0	0	110.1
76	G	31.6	Very low	31.2	Very low	78 Å²	78	142.5 Å²	142.5	80%	0.804	85%	0.854	S	S	*	*			trans	-146.7	94.8	164.7	0	0	0	0	0	107.5
77	G	27.1	Very low	31.1	Very low	88 Å²	88	139.5 Å²	139.5	91%	0.907	85%	0.848	S	S	*	*			trans	-73.8	141.2	178	0	0	0	0	0	111.7
78	G	31.3	Very low	31.9	Very low	81 Å²	81	140.7 Å²	140.7	84%	0.835	84%	0.841	S	S	*	*			trans	-159.1	91.7	169.7	0	0	0	0	0	107.3
79	G	26.2	Very low	31.9	Very low	84 Å²	84	140.8 Å²	140.8	87%	0.866	84%	0.842	S	S	*	*			trans	-77.5	143.5	178.1	0	0	0	0	0	111.8
80	A	32.7	Very low	31.7	Very low	103 Å²	103	142.4 Å²	142.4	85%	0.851	84%	0.84	S	S	*	*			trans	-157.7	124.5	144.8	0	0	0	0	0	107.7
81	T	30.7	Very low	31.8	Very low	137 Å²	137	147.3 Å²	147.3	84%	0.84	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-73.3	160.8	-167.9	40.9	0	0	0	0	114.8
82	P	38.5	Very low	31.6	Very low	122 Å²	122	146.6 Å²	146.6	79%	0.792	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-94.8	142.9	-165.9	35.7	-29.1	0	0	0	113
83	I	32.9	Very low	31.6	Very low	178 Å²	178	147.5 Å²	147.5	91%	0.913	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-95.8	130.9	167.1	-65.7	177.4	0	0	0	109.5
84	R	27.9	Very low	31	Very low	233 Å²	233	149.2 Å²	149.2	88%	0.879	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-80	141.3	-161.7	177.4	178.9	174.5	-176.5	-1	114.3
85	N	27.1	Very low	30.9	Very low	137 Å²	137	148.4 Å²	148.4	73%	0.733	83%	0.832	S	S	*	*			trans	-13.2	134.7	158.5	-71.3	-6	0	0	0	118.4
86	K	32.2	Very low	31	Very low	214 Å²	214	149 Å²	149	93%	0.93	84%	0.835	S	S	*	*			trans	-116.2	118.3	145.2	-80.2	-174.8	174.9	-179.9	0	109
87	E	28.1	Very low	30.9	Very low	175 Å²	175	150.6 Å²	150.6	82%	0.818	83%	0.834	S	S	*	*			trans	-88	173.7	178.4	-99	-173.6	156.7	0	0	112.3
88	P	48.8	Very low	31.1	Very low	103 Å²	103	153.1 Å²	153.1	67%	0.669	83%	0.832	S	S	*	*			trans	-104.2	156.2	-140.3	39.1	-35.1	0	0	0	114.7
89	R	32	Very low	31.1	Very low	254 Å²	254	155 Å²	155	96%	0.958	83%	0.832	S	S	*	*			trans	-89.8	104	163.6	-90.8	-178.8	165.7	-174.9	-4.6	110.1
90	Q	25.8	Very low	31.4	Very low	178 Å²	178	156.7 Å²	156.7	83%	0.832	83%	0.83	S	S	*	*			trans	-76.9	129.1	158.5	-71.1	172.8	-16.3	0	0	109
91	M	31.4	Very low	31.3	Very low	196 Å²	196	157.3 Å²	157.3	97%	0.966	83%	0.829	S	S	*	*			trans	-133.3	125.3	150.8	-84.2	-172.2	171.1	0	0	107.5
92	A	26.6	Very low	31.3	Very low	87 Å²	87	158.9 Å²	158.9	72%	0.719	83%	0.829	S	S	*	*			trans	-104.5	173.9	-172.2	0	0	0	0	0	110.6
93	M	28.6	Very low	31.2	Very low	159 Å²	159	159 Å²	159	78%	0.783	83%	0.829	S	S	*	*			trans	84.3	133.8	166.2	-57.8	170.8	75.3	0	0	114.1
94	Q	31	Very low	31.2	Very low	146 Å²	146	159.5 Å²	159.5	68%	0.682	83%	0.83	S	S	*	*			cis	-160.9	132.1	17.5	-128.8	162.4	-5.3	0	0	110.8
95	Q	27.9	Very low	31.4	Very low	171 Å²	171	156.8 Å²	156.8	80%	0.799	83%	0.827	S	S	*	*			trans	25.4	118.9	137.2	-60.4	170.8	1.3	0	0	120.2
96	Q	32.9	Very low	31.9	Very low	206 Å²	206	155.2 Å²	155.2	96%	0.963	83%	0.825	S	S	*	*			trans	-146.8	108.3	132.3	-103.5	173.2	19.4	0	0	108.7
97	S	29.1	Very low	32.1	Very low	111 Å²	111	150.9 Å²	150.9	78%	0.776	82%	0.818	S	S	*	*			trans	-104.8	114.8	-177.4	50.2	0	0	0	0	110.3
98	T	31.7	Very low	32.4	Very low	141 Å²	141	148.9 Å²	148.9	87%	0.865	82%	0.818	S	S	*	*			trans	-122	95.3	160.6	47.7	0	0	0	0	107.6
99	S	30.2	Very low	31.9	Very low	121 Å²	121	150.5 Å²	150.5	85%	0.846	83%	0.826	S	S	*	*			trans	-88.1	105.8	-177.8	54	0	0	0	0	110.8
100	S	33.1	Very low	32.3	Very low	118 Å²	118	143.7 Å²	143.7	83%	0.825	82%	0.817	S	S	*	*			trans	-108.1	102.8	159.9	40.3	0	0	0	0	108.2	M102	S100-M102 PolarHBondContact O-N 3.11Å
101	S	30.7	Very low	33.1	Very low	116 Å²	116	144.1 Å²	144.1	81%	0.811	82%	0.817	S	S	*	*			trans	-76.3	112.5	-176.8	52.7	0	0	0	0	111.3
102	M	30.5	Very low	33.9	Very low	171 Å²	171	140.4 Å²	140.4	84%	0.842	81%	0.807	S	S	*	*			trans	-109.3	138.9	160.3	-82.3	-91.4	135.2	0	0	108.5	S100 M104	S100-M102 PolarHBondContact O-N 3.11Å; M102-M104 PolarHBondContact O-N 3.22Å
103	P	37.4	Very low	35.5	Very low	123 Å²	123	142.8 Å²	142.8	80%	0.799	81%	0.807	S	S	*	*			trans	-77.9	121.4	-168.1	1.1	16.2	0	0	0	110.6	E105	P103-E105 PolarHBondContact O-N 2.94Å
104	M	32.6	Very low	37.2	Very low	189 Å²	189	138.3 Å²	138.3	93%	0.931	79%	0.788	S	S	*	*			trans	-70.8	114.6	172.6	-89.4	-114.7	175.5	0	0	110.6	M102	M102-M104 PolarHBondContact O-N 3.22Å
105	E	32.4	Very low	39.3	Very low	177 Å²	177	137 Å²	137	83%	0.827	78%	0.781	S	S	*	*			trans	-72	131.9	167.1	-153.3	171.5	-166.3	0	0	109	P103	P103-E105 PolarHBondContact O-N 2.94Å
106	P	36.2	Very low	41.9	Very low	104 Å²	104	131.2 Å²	131.2	68%	0.675	75%	0.754	S	S	*	*			trans	-69	143.6	-170	25.7	-32.3	0	0	0	111.6	T108	P106-T108 PolarHBondContact O-N 2.92Å
107	P	36.3	Very low	44.4	Very low	123 Å²	123	123.8 Å²	123.8	80%	0.799	72%	0.719	S	S	*	*			trans	-64	112.8	-173.9	24.5	-31.9	0	0	0	110.1	T109	P107-T109 PolarHBondContact O-N 3.46Å
108	T	36.4	Very low	47.2	Very low	133 Å²	133	118.8 Å²	118.8	82%	0.816	69%	0.685	S	S	*	*			trans	-62.4	102.6	170.5	48	0	0	0	0	108.1	P106 S110	P106-T108 PolarHBondContact O-N 2.92Å; T108-S110 VanDerWaalsContact C-N 3.26Å; T108-S110 PolarHBondContact O-N 3.17Å
109	T	37	Very low	49.9	Very low	136 Å²	136	113.2 Å²	113.2	83%	0.834	65%	0.649	S	S	*	*			trans	-66.9	89.3	171.9	23.5	0	0	0	0	107.9	P107 K111	P107-T109 PolarHBondContact O-N 3.46Å; T109-K111 PolarHBondContact O-N 3.37Å; T109-K111 VanDerWaalsContact O-N 3.1Å
110	S	41.5	Very low	52.4	Low	111 Å²	111	108 Å²	108	78%	0.776	61%	0.612	S	S	*	*			trans	-61.7	113.5	173.2	54.2	0	0	0	0	108.1	T108	T108-S110 VanDerWaalsContact C-N 3.26Å; T108-S110 PolarHBondContact O-N 3.17Å
111	K	42	Very low	54.4	Low	188 Å²	188	105.8 Å²	105.8	82%	0.817	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-57.8	133.5	175.9	-70.8	177.2	-180	173.2	0	108.2	T109 I113	T109-K111 PolarHBondContact O-N 3.37Å; T109-K111 VanDerWaalsContact O-N 3.1Å; K111-I113 PolarHBondContact O-N 3.21Å
112	P	48.5	Very low	56.4	Low	118 Å²	118	109 Å²	109	77%	0.766	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-58	126.2	-177.5	21.1	-31.3	0	0	0	110.3	V114	P112-V114 PolarHBondContact O-N 2.93Å
113	I	59.8	Low	58.2	Low	137 Å²	137	102.5 Å²	102.5	70%	0.703	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-63.8	118.6	177.1	-61.3	173.3	0	0	0	107.7	K111 H115	K111-I113 PolarHBondContact O-N 3.21Å; I113-H115 PolarHBondContact O-CD2 3.12Å; I113-H115 PolarHBondContact O-N 3.37Å
114	V	63.6	Low	59.2	Low	64 Å²	64	101.5 Å²	101.5	39%	0.388	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-79.6	118.3	179.4	174	0	0	0	0	109.1	P112 F116 R359	P112-V114 PolarHBondContact O-N 2.93Å; V114-F116 HydrophobicContact CG1-CD1 4.43Å; V114-F116 HydrophobicContact CG1-CE1 3.78Å; V114-F116 HydrophobicContact CG1-CE2 4.01Å; V114-F116 HydrophobicContact CG1-CZ 3.55Å; V114-R359 VanDerWaalsContact CG1-CZ 3.48Å
115	H	76.5	Confident	60.2	Low	118 Å²	118	95.8 Å²	95.8	55%	0.546	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-100.1	140.6	174.1	-64.6	-77.5	0	0	0	111.4	I113 H117	I113-H115 PolarHBondContact O-CD2 3.12Å; I113-H115 PolarHBondContact O-N 3.37Å; H115-H117 WeakPolarHBondContact CB-NE2 3.05Å
116	F	82.8	Confident	61	Low	51 Å²	51	92.9 Å²	92.9	22%	0.224	52%	0.524	C	S	.	.			trans	-116.3	138.3	174.7	-58.4	-68.8	0	0	0	109.5	V114 P217 L355 W358 R359	V114-F116 HydrophobicContact CG1-CD1 4.43Å; V114-F116 HydrophobicContact CG1-CE1 3.78Å; V114-F116 HydrophobicContact CG1-CE2 4.01Å; V114-F116 HydrophobicContact CG1-CZ 3.55Å; F116-P217 HydrophobicContact CB-CB 4.06Å; F116-P217 HydrophobicContact CB-CG 4.03Å; F116-L355 HydrophobicContact CD1-CB 3.9Å; F116-L355 WeakPolarHBondContact CD1-O 3.3Å; F116-L355 HydrophobicContact CD2-CD1 3.83Å; F116-L355 HydrophobicContact CE1-CB 3.53Å; F116-L355 HydrophobicContact CE1-CD1 4.45Å; F116-L355 WeakPolarHBondContact CE1-O 3.37Å; F116-L355 HydrophobicContact CE2-CB 4.23Å; F116-L355 HydrophobicContact CE2-CD1 3.7Å; F116-L355 HydrophobicContact CG-CB 4.38Å; F116-L355 HydrophobicContact CG-CD1 4.26Å; F116-L355 HydrophobicContact CZ-CB 3.71Å; F116-L355 HydrophobicContact CZ-CD1 4.02Å; F116-W358 WeakPolarHBondContact CA-O 3.5Å; F116-W358 HydrophobicContact CB-CB 4.09Å; F116-W358 HydrophobicContact CD1-CB 3.99Å; F116-W358 HydrophobicContact CG-CB 4.42Å; F116-R359 HydrophobicContact CD1-CG 4.07Å; F116-R359 HydrophobicContact CE1-CG 3.84Å
117	H	83.7	Confident	61.7	Low	50 Å²	50	100 Å²	100	23%	0.231	54%	0.537	C	S	.	.			trans	-130.2	138.6	-168.1	-58.3	-73.6	0	0	0	111.7	H115 P121 R199 W358 P361	H115-H117 WeakPolarHBondContact CB-NE2 3.05Å; H117-P121 VanDerWaalsContact ND1-CG 3.27Å; H117-P121 WeakPolarHBondContact ND1-CG 3.47Å; H117-R199 PolarHBondContact O-NH2 2.89Å; H117-W358 PolarHBondContact N-O 3.18Å; H117-P361 HydrophobicContact CB-CB 3.83Å
118	G	87.5	Confident	62.7	Low	6 Å²	6	97.8 Å²	97.8	6%	0.062	52%	0.522	C	S	.	.	S	Bend	trans	-71	-81.2	162.2	0	0	0	0	0	109.4	R199 L215 V362	G118-R199 PolarHBondContact O-NH1 3.36Å; G118-R199 PolarHBondContact O-NH2 2.79Å; G118-L215 WeakPolarHBondContact CA-O 3.45Å; G118-V362 WeakPolarHBondContact O-CB 3.32Å; G118-V362 PolarHBondContact O-N 3.48Å
119	H	89.1	Confident	64.3	Low	23 Å²	23	94.6 Å²	94.6	11%	0.106	51%	0.509	C	S	.	.	B	Isolated β-bridge	trans	-95.6	164.8	168.4	-65.1	96.6	0	0	0	112.1	P121 I130 C135 I137 L215 V362	H119-P121 WeakPolarHBondContact O-CD 3.31Å; H119-I130 HydrophobicContact CB-CD1 3.66Å; H119-I130 VanDerWaalsContact CG-CD1 3.45Å; H119-C135 PolarHBondContact CE1-O 2.92Å; H119-C135 VanDerWaalsContact CE1-O 3.28Å; H119-I137 WeakPolarHBondContact NE2-CG2 3.08Å; H119-I137 PolarHBondContact NE2-O 3.2Å; H119-L215 VanDerWaalsContact CE1-CB 3.45Å; H119-L215 WeakPolarHBondContact CE1-CB 3.24Å; H119-L215 VanDerWaalsContact CE1-CD2 3.43Å; H119-L215 WeakPolarHBondContact CE1-CD2 3.48Å; H119-L215 WeakPolarHBondContact ND1-CB 3.4Å; H119-V362 WeakPolarHBondContact CA-O 3.34Å
120	D	83.3	Confident	66.4	Low	13 Å²	13	89.5 Å²	89.5	7%	0.07	48%	0.476	C	S	.	.			trans	-62.4	119.8	174.1	-172.1	-26.1	0	0	0	110.2	R122 L123 P361 V362 T363	D120-R122 PolarHBondContact O-N 3.22Å; D120-R122 VanDerWaalsContact O-N 3.1Å; D120-R122 VanDerWaalsContact OD1-CB 3.3Å; D120-R122 WeakPolarHBondContact OD1-CB 3.48Å; D120-R122 WeakPolarHBondContact OD1-CG 3.29Å; D120-R122 IonicContact OD1-CZ 3.43Å; D120-R122 PolarHBondContact OD1-N 3.25Å; D120-R122 IonicContact OD1-NE 2.81Å; D120-R122 PolarHBondContact OD1-NE 3.14Å; D120-R122 VanDerWaalsContact OD1-NE 3.08Å; D120-R122 IonicContact OD1-NH2 2.62Å; D120-R122 IonicContact OD2-CZ 3.14Å; D120-R122 IonicContact OD2-NE 2.73Å; D120-R122 PolarHBondContact OD2-NE 3.45Å; D120-R122 VanDerWaalsContact OD2-NE 3.14Å; D120-R122 IonicContact OD2-NH2 2.8Å; D120-R122 PolarHBondContact OD2-NH2 2.83Å; D120-L123 HydrophobicContact CB-CD1 3.8Å; D120-L123 HydrophobicContact CB-CG 3.98Å; D120-L123 WeakPolarHBondContact O-CB 3.44Å; D120-L123 PolarHBondContact O-N 3.27Å; D120-P361 VanDerWaalsContact CA-CB 3.44Å; D120-P361 HydrophobicContact CB-CB 3.84Å; D120-P361 HydrophobicContact CB-CG 4Å; D120-V362 PolarHBondContact N-O 2.98Å; D120-V362 VanDerWaalsContact N-O 3.12Å; D120-T363 HydrophobicContact CB-CG2 4.19Å
121	P	74.5	Confident	68.5	Low	70 Å²	70	85.9 Å²	85.9	46%	0.455	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-55.8	-27.8	179.5	-25.1	33.8	0	0	0	113.8	H117 H119 L123 N124	H117-P121 VanDerWaalsContact ND1-CG 3.27Å; H117-P121 WeakPolarHBondContact ND1-CG 3.47Å; H119-P121 WeakPolarHBondContact O-CD 3.31Å; P121-L123 PolarHBondContact O-N 3.49Å; P121-N124 PolarHBondContact O-N 3.37Å
122	R	72.8	Confident	70.6	Confident	183 Å²	183	80 Å²	80	69%	0.691	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-67.5	-25.7	179.8	-60.9	175.3	-67.8	180	2.1	112.2	D120 N124 G125	D120-R122 PolarHBondContact O-N 3.22Å; D120-R122 VanDerWaalsContact O-N 3.1Å; D120-R122 VanDerWaalsContact OD1-CB 3.3Å; D120-R122 WeakPolarHBondContact OD1-CB 3.48Å; D120-R122 WeakPolarHBondContact OD1-CG 3.29Å; D120-R122 IonicContact OD1-CZ 3.43Å; D120-R122 PolarHBondContact OD1-N 3.25Å; D120-R122 IonicContact OD1-NE 2.81Å; D120-R122 PolarHBondContact OD1-NE 3.14Å; D120-R122 VanDerWaalsContact OD1-NE 3.08Å; D120-R122 IonicContact OD1-NH2 2.62Å; D120-R122 IonicContact OD2-CZ 3.14Å; D120-R122 IonicContact OD2-NE 2.73Å; D120-R122 PolarHBondContact OD2-NE 3.45Å; D120-R122 VanDerWaalsContact OD2-NE 3.14Å; D120-R122 IonicContact OD2-NH2 2.8Å; D120-R122 PolarHBondContact OD2-NH2 2.83Å; R122-N124 VanDerWaalsContact C-N 3.29Å; R122-N124 PolarHBondContact O-N 2.95Å; R122-G125 PolarHBondContact O-N 3.38Å
123	L	69.4	Low	72.5	Confident	35 Å²	35	77.4 Å²	77.4	18%	0.183	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-69.6	-26.8	177.9	-65.2	170.5	0	0	0	112.3	D120 P121 G125 I126 F364	D120-L123 HydrophobicContact CB-CD1 3.8Å; D120-L123 HydrophobicContact CB-CG 3.98Å; D120-L123 WeakPolarHBondContact O-CB 3.44Å; D120-L123 PolarHBondContact O-N 3.27Å; P121-L123 PolarHBondContact O-N 3.49Å; L123-G125 PolarHBondContact O-N 3.39Å; L123-I126 PolarHBondContact O-N 3.18Å; L123-F364 HydrophobicContact CD1-CD1 3.92Å; L123-F364 HydrophobicContact CD1-CE1 3.63Å; L123-F364 HydrophobicContact CD1-CZ 4.19Å
124	N	58.5	Low	74.1	Confident	102 Å²	102	71.2 Å²	71.2	55%	0.545	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-66.9	-19.7	175.8	-78.2	-7.7	0	0	0	113.1	P121 R122	P121-N124 PolarHBondContact O-N 3.37Å; R122-N124 VanDerWaalsContact C-N 3.29Å; R122-N124 PolarHBondContact O-N 2.95Å
125	G	52.4	Low	75.5	Confident	70 Å²	70	68.3 Å²	68.3	72%	0.722	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-95.8	-14.1	178.6	0	0	0	0	0	115.1	R122 L123 R127	R122-G125 PolarHBondContact O-N 3.38Å; L123-G125 PolarHBondContact O-N 3.39Å; G125-R127 PolarHBondContact O-N 3.28Å
126	I	49.1	Very low	76.4	Confident	116 Å²	116	62.7 Å²	62.7	60%	0.595	33%	0.333	S	S	*	.	S	Bend	trans	-94.9	99.4	-176.9	-61.7	171.2	0	0	0	109.2	L123 V128	L123-I126 PolarHBondContact O-N 3.18Å; I126-V128 PolarHBondContact O-N 2.83Å
127	R	50.5	Low	77	Confident	253 Å²	253	60.3 Å²	60.3	96%	0.955	32%	0.323	S	S	*	.	S	Bend	trans	34.2	-5.4	165.9	-79.8	-168.1	179.1	-137.9	1.2	122	G125	G125-R127 PolarHBondContact O-N 3.28Å
128	V	58.2	Low	77.4	Confident	77 Å²	77	59 Å²	59	47%	0.467	32%	0.323	S	S	.	.	S	Bend	trans	-148.7	87.9	174.4	-171.7	0	0	0	0	106.3	I126 I130 W369	I126-V128 PolarHBondContact O-N 2.83Å; V128-I130 PolarHBondContact O-N 2.99Å; V128-W369 HydrophobicContact CG1-CZ2 3.91Å
129	A	70.6	Confident	77.9	Confident	66 Å²	66	58.8 Å²	58.8	55%	0.545	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-51.7	140	167.3	0	0	0	0	0	109	P131	A129-P131 WeakPolarHBondContact O-CD 3.48Å; A129-P131 VanDerWaalsContact O-N 3.08Å
130	I	81.4	Confident	78.3	Confident	29 Å²	29	58.7 Å²	58.7	15%	0.149	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-58.7	117.5	179.6	-60.3	171.4	0	0	0	107.8	H119 V128 I137 F364	H119-I130 HydrophobicContact CB-CD1 3.66Å; H119-I130 VanDerWaalsContact CG-CD1 3.45Å; V128-I130 PolarHBondContact O-N 2.99Å; I130-I137 HydrophobicContact CG2-CG2 4.03Å; I130-F364 HydrophobicContact CD1-CE1 3.78Å; I130-F364 HydrophobicContact CD1-CZ 4.28Å; I130-F364 HydrophobicContact CG1-CE1 3.91Å; I130-F364 HydrophobicContact CG1-CZ 3.9Å
131	P	84.3	Confident	79	Confident	35 Å²	35	58.1 Å²	58.1	23%	0.227	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-59	134.7	175.8	-22.9	34	0	0	0	109.1	A129 E133 L134 W369	A129-P131 WeakPolarHBondContact O-CD 3.48Å; A129-P131 VanDerWaalsContact O-N 3.08Å; P131-E133 PolarHBondContact O-N 3.36Å; P131-L134 HydrophobicContact CG-CD1 4.38Å; P131-L134 CarbonylContact O-C 3.54Å; P131-L134 PolarHBondContact O-N 3.39Å; P131-W369 HydrophobicContact CG-CZ2 4.5Å
132	P	87.1	Confident	80	Confident	65 Å²	65	55.1 Å²	55.1	42%	0.422	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-50	-30.6	176.6	-28.5	35.6	0	0	0	113	L134 C135 K213	P132-L134 VanDerWaalsContact C-N 3.33Å; P132-L134 PolarHBondContact O-N 2.77Å; P132-C135 WeakPolarHBondContact O-CB 3.37Å; P132-C135 PolarHBondContact O-N 2.68Å; P132-K213 HydrophobicContact CB-CB 3.73Å; P132-K213 HydrophobicContact CB-CD 3.52Å; P132-K213 HydrophobicContact CB-CG 4.29Å; P132-K213 WeakPolarHBondContact O-CB 3.33Å
133	E	88	Confident	81	Confident	63 Å²	63	46.6 Å²	46.6	29%	0.294	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-69.2	-24.5	178.4	-70.1	66.4	-134	0	0	114	P131 H165 K213 R376	P131-E133 PolarHBondContact O-N 3.36Å; E133-H165 VanDerWaalsContact O-CA 3.31Å; E133-H165 WeakPolarHBondContact O-CA 3.16Å; E133-K213 IonicContact OE1-NZ 3.14Å; E133-K213 PolarHBondContact OE1-NZ 2.79Å; E133-R376 PolarHBondContact O-NH1 2.91Å
134	L	92.3	Very high	82	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.037	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-110.5	32.6	179.4	-62.2	-178.5	0	0	0	111.3	P131 P132 L136 I137 H165 A372 A373 R376	P131-L134 HydrophobicContact CG-CD1 4.38Å; P131-L134 CarbonylContact O-C 3.54Å; P131-L134 PolarHBondContact O-N 3.39Å; P132-L134 VanDerWaalsContact C-N 3.33Å; P132-L134 PolarHBondContact O-N 2.77Å; L134-L136 PolarHBondContact O-N 3.39Å; L134-I137 WeakPolarHBondContact O-CB 3.3Å; L134-I137 WeakPolarHBondContact O-CG2 3.44Å; L134-I137 PolarHBondContact O-N 2.95Å; L134-H165 CarbonylContact C-O 3.58Å; L134-H165 WeakPolarHBondContact CA-O 3.46Å; L134-A372 HydrophobicContact CD2-CB 4.42Å; L134-A373 HydrophobicContact CD1-CB 4.45Å; L134-R376 HydrophobicContact CD2-CB 4.36Å
135	C	93.2	Very high	83.2	Confident	3 Å²	3	42 Å²	42	2%	0.02	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-7.4	-175.6	62.8	0	0	0	0	115.2	H119 P132 H165 K213 L215	H119-C135 PolarHBondContact CE1-O 2.92Å; H119-C135 VanDerWaalsContact CE1-O 3.28Å; P132-C135 WeakPolarHBondContact O-CB 3.37Å; P132-C135 PolarHBondContact O-N 2.68Å; C135-H165 PolarHBondContact N-O 3.33Å; C135-K213 VanDerWaalsContact CB-O 3.29Å; C135-K213 WeakPolarHBondContact CB-O 3.41Å; C135-L215 WeakPolarHBondContact O-CB 3.49Å
136	L	96.3	Very high	84.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	12	174.2	-55.8	-177.6	0	0	0	113.2	L134 G138 C139 F141 I162 H165 G167 L206 L210 L215	L134-L136 PolarHBondContact O-N 3.39Å; L136-G138 PolarHBondContact O-N 3.21Å; L136-C139 HydrophobicContact CB-CB 4.45Å; L136-C139 WeakPolarHBondContact O-CB 3.39Å; L136-C139 PolarHBondContact O-N 3.41Å; L136-C139 PolarHBondContact O-SG 2.96Å; L136-C139 VanDerWaalsContact O-SG 3.37Å; L136-F141 HydrophobicContact CB-CE2 4.37Å; L136-F141 HydrophobicContact CD1-CE2 4.06Å; L136-F141 HydrophobicContact CD1-CZ 4.4Å; L136-F141 HydrophobicContact CD2-CE2 4.49Å; L136-F141 HydrophobicContact CD2-CZ 4.24Å; L136-I162 HydrophobicContact CD1-CG2 4.25Å; L136-H165 WeakPolarHBondContact CA-O 3.29Å; L136-H165 WeakPolarHBondContact CB-O 3.33Å; L136-H165 HydrophobicContact CD1-CB 4.05Å; L136-H165 HydrophobicContact CG-CB 4.11Å; L136-H165 PolarHBondContact N-O 3.28Å; L136-G167 WeakPolarHBondContact O-CA 3.41Å; L136-L206 HydrophobicContact CD1-CD1 3.76Å; L136-L206 HydrophobicContact CD2-CD1 4.17Å; L136-L210 HydrophobicContact CD1-CD2 3.76Å; L136-L210 HydrophobicContact CG-CD2 4.1Å; L136-L215 HydrophobicContact CD2-CD1 4.17Å
137	I	94.1	Very high	85.8	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	135.3	179.2	-170.9	169.2	0	0	0	112.3	H119 I130 L134 C139 G166 F364 W369	H119-I137 WeakPolarHBondContact NE2-CG2 3.08Å; H119-I137 PolarHBondContact NE2-O 3.2Å; I130-I137 HydrophobicContact CG2-CG2 4.03Å; L134-I137 WeakPolarHBondContact O-CB 3.3Å; L134-I137 WeakPolarHBondContact O-CG2 3.44Å; L134-I137 PolarHBondContact O-N 2.95Å; I137-C139 PolarHBondContact O-N 3.49Å; I137-G166 WeakPolarHBondContact CA-O 3.38Å; I137-F364 HydrophobicContact CD1-CB 4.48Å; I137-F364 HydrophobicContact CD1-CD1 4.3Å; I137-F364 HydrophobicContact CD1-CD2 3.55Å; I137-F364 HydrophobicContact CD1-CE1 4.43Å; I137-F364 HydrophobicContact CD1-CE2 3.74Å; I137-F364 HydrophobicContact CD1-CG 3.86Å; I137-F364 HydrophobicContact CD1-CZ 4.19Å; I137-F364 HydrophobicContact CG1-CB 4.12Å; I137-F364 HydrophobicContact CG1-CD1 4.14Å; I137-F364 HydrophobicContact CG1-CD2 4.08Å; I137-F364 HydrophobicContact CG1-CG 3.86Å; I137-F364 HydrophobicContact CG2-CD1 3.69Å; I137-F364 HydrophobicContact CG2-CE1 3.64Å; I137-F364 HydrophobicContact CG2-CG 4.29Å; I137-F364 HydrophobicContact CG2-CZ 4.22Å; I137-W369 HydrophobicContact CD1-CB 3.75Å; I137-W369 VanDerWaalsContact CD1-CD1 3.49Å; I137-W369 HydrophobicContact CD1-CG 3.93Å
138	G	93.5	Very high	86.9	Confident	23 Å²	23	35.1 Å²	35.1	24%	0.237	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-1.5	-176.9	0	0	0	0	0	114.7	L136	L136-G138 PolarHBondContact O-N 3.21Å
139	C	97.1	Very high	87.4	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.			trans	-86.9	130.5	175.1	-57.8	0	0	0	0	110.7	L136 I137 F141 G167 D168 T178 H179 L215	L136-C139 HydrophobicContact CB-CB 4.45Å; L136-C139 WeakPolarHBondContact O-CB 3.39Å; L136-C139 PolarHBondContact O-N 3.41Å; L136-C139 PolarHBondContact O-SG 2.96Å; L136-C139 VanDerWaalsContact O-SG 3.37Å; I137-C139 PolarHBondContact O-N 3.49Å; C139-F141 HydrophobicContact CB-CD2 4.13Å; C139-F141 HydrophobicContact CB-CE2 3.37Å; C139-F141 HydrophobicContact CB-CZ 3.76Å; C139-G167 CarbonylContact O-C 3.59Å; C139-G167 WeakPolarHBondContact O-CA 3.4Å; C139-D168 PolarHBondContact O-N 2.55Å; C139-T178 WeakPolarHBondContact CA-OG1 3.28Å; C139-H179 VanDerWaalsContact SG-CE1 3.59Å; C139-L215 VanDerWaalsContact SG-CD2 3.57Å
140	V	97.6	Very high	87.4	Confident	22 Å²	22	32.3 Å²	32.3	13%	0.133	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113	173.7	-176.3	0	0	0	0	107.2	D168 E170 K176 T178 H179	V140-D168 CarbonylContact C-O 3.53Å; V140-D168 WeakPolarHBondContact CA-O 3.5Å; V140-D168 HydrophobicContact CG1-CB 4.42Å; V140-D168 HydrophobicContact CG2-CB 4.29Å; V140-E170 HydrophobicContact CG1-CG 3.56Å; V140-K176 VanDerWaalsContact CB-O 3.32Å; V140-K176 WeakPolarHBondContact CB-O 3.47Å; V140-K176 HydrophobicContact CG1-CB 4.45Å; V140-T178 PolarHBondContact N-OG1 2.84Å; V140-T178 PolarHBondContact O-N 3.19Å; V140-T178 PolarHBondContact O-OG1 3.33Å; V140-H179 PolarHBondContact O-N 2.99Å; V140-H179 VanDerWaalsContact O-N 3.08Å
141	F	97.6	Very high	87	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	147	-175	-67.6	-85.3	0	0	0	111.5	L136 C139 I162 D168 V169 E170 H179 V181 W205 L206	L136-F141 HydrophobicContact CB-CE2 4.37Å; L136-F141 HydrophobicContact CD1-CE2 4.06Å; L136-F141 HydrophobicContact CD1-CZ 4.4Å; L136-F141 HydrophobicContact CD2-CE2 4.49Å; L136-F141 HydrophobicContact CD2-CZ 4.24Å; C139-F141 HydrophobicContact CB-CD2 4.13Å; C139-F141 HydrophobicContact CB-CE2 3.37Å; C139-F141 HydrophobicContact CB-CZ 3.76Å; F141-I162 HydrophobicContact CB-CD1 4.49Å; F141-I162 HydrophobicContact CD2-CD1 4.46Å; F141-I162 HydrophobicContact CD2-CG2 3.6Å; F141-I162 HydrophobicContact CE2-CG2 4Å; F141-I162 HydrophobicContact CG-CD1 4.45Å; F141-D168 PolarHBondContact N-O 3.43Å; F141-V169 HydrophobicContact CB-CG2 4.35Å; F141-V169 CarbonylContact O-C 3.59Å; F141-V169 VanDerWaalsContact O-CA 3.31Å; F141-V169 WeakPolarHBondContact O-CA 2.92Å; F141-E170 PolarHBondContact O-N 2.88Å; F141-H179 CarbonylContact C-O 3.58Å; F141-H179 WeakPolarHBondContact CA-O 3.37Å; F141-H179 HydrophobicContact CD1-CB 3.37Å; F141-H179 HydrophobicContact CE1-CB 3.39Å; F141-H179 AromaticContact CE1-CG 3.63Å; F141-H179 HydrophobicContact CG-CB 4.26Å; F141-H179 HydrophobicContact CZ-CB 4.32Å; F141-V181 HydrophobicContact CD1-CG2 3.72Å; F141-V181 HydrophobicContact CE1-CG2 4.35Å; F141-W205 HydrophobicContact CE1-CH2 4.33Å; F141-W205 AromaticContact CE1-CZ3 3.77Å; F141-W205 HydrophobicContact CE1-CZ3 3.77Å; F141-W205 HydrophobicContact CZ-CH2 4.34Å; F141-W205 HydrophobicContact CZ-CZ3 4.1Å; F141-L206 HydrophobicContact CE1-CD1 4.26Å; F141-L206 HydrophobicContact CZ-CD1 4.01Å
142	L	96.2	Very high	86.5	Confident	7 Å²	7	39.7 Å²	39.7	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.5	158.4	-179.8	71.7	0	0	0	108	V144 Y173 H179 V180 V181 V189	L142-V144 HydrophobicContact CD2-CG1 3.74Å; L142-V144 HydrophobicContact CG-CG1 3.84Å; L142-Y173 HydrophobicContact CD2-CD2 3.89Å; L142-Y173 HydrophobicContact CD2-CG 4.26Å; L142-H179 PolarHBondContact N-O 3.29Å; L142-V180 HydrophobicContact CB-CG2 4.48Å; L142-V180 CarbonylContact O-C 3.57Å; L142-V180 WeakPolarHBondContact O-CA 3.49Å; L142-V181 PolarHBondContact O-N 3.49Å; L142-V189 HydrophobicContact CD2-CG1 3.63Å
143	I	94	Very high	85.9	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.6	176.8	-57.6	166.1	0	0	0	107.6	Y146 W158 I162 V169 V181	I143-Y146 HydrophobicContact CG2-CD2 3.93Å; I143-Y146 HydrophobicContact CG2-CG 4.32Å; I143-W158 HydrophobicContact CD1-CB 4.23Å; I143-W158 HydrophobicContact CD1-CE3 4.13Å; I143-W158 HydrophobicContact CG2-CE3 4.44Å; I143-W158 HydrophobicContact CG2-CZ3 4.44Å; I143-I162 HydrophobicContact CD1-CD1 4.25Å; I143-V169 HydrophobicContact CD1-CG1 4.1Å; I143-V169 HydrophobicContact CG1-CG1 4.3Å; I143-V181 HydrophobicContact CG1-CB 4.29Å
144	V	91.1	Very high	85.5	Confident	15 Å²	15	42.9 Å²	42.9	9%	0.091	21%	0.206	C	C	.	.			trans	-130.9	161.5	177.8	-57.9	0	0	0	0	110.5	L142 Y146 V180 V181 C182 V189 V190	L142-V144 HydrophobicContact CD2-CG1 3.74Å; L142-V144 HydrophobicContact CG-CG1 3.84Å; V144-Y146 VanDerWaalsContact O-CD2 3.3Å; V144-Y146 WeakPolarHBondContact O-CD2 3.39Å; V144-Y146 PolarHBondContact O-N 2.9Å; V144-V180 HydrophobicContact CG1-CG1 4.5Å; V144-V180 HydrophobicContact CG2-CG1 3.73Å; V144-V181 PolarHBondContact N-O 3.46Å; V144-C182 HydrophobicContact CG2-CB 3.48Å; V144-C182 VanDerWaalsContact CG2-CB 3.48Å; V144-V189 HydrophobicContact CG1-CG1 4.36Å; V144-V190 HydrophobicContact CG2-CG2 3.81Å
145	D	83.6	Confident	85.1	Confident	25 Å²	25	42.6 Å²	42.6	13%	0.134	20%	0.204	C	C	.	.	S	Bend	trans	64.1	-29.3	-174.3	-71.5	-39.2	0	0	0	116.5	E147 R148 H187	D145-E147 VanDerWaalsContact C-N 3.31Å; D145-E147 PolarHBondContact O-N 3.41Å; D145-R148 WeakPolarHBondContact O-CB 3.27Å; D145-R148 PolarHBondContact O-N 3.31Å; D145-H187 IonicContact OD1-CD2 3.43Å; D145-H187 PolarHBondContact OD1-CD2 2.9Å; D145-H187 IonicContact OD1-CG 2.71Å; D145-H187 IonicContact OD1-NE2 3.98Å; D145-H187 WeakPolarHBondContact OD2-CB 3.44Å; D145-H187 IonicContact OD2-CD2 3.85Å; D145-H187 IonicContact OD2-CG 2.7Å
146	Y	82.9	Confident	84.6	Confident	20 Å²	20	45 Å²	45	8%	0.078	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-68.9	-26	-177	-75.7	-75	0	0	0	113.9	I143 V144 R148 I149 L150 W158 V181 E183 A203	I143-Y146 HydrophobicContact CG2-CD2 3.93Å; I143-Y146 HydrophobicContact CG2-CG 4.32Å; V144-Y146 VanDerWaalsContact O-CD2 3.3Å; V144-Y146 WeakPolarHBondContact O-CD2 3.39Å; V144-Y146 PolarHBondContact O-N 2.9Å; Y146-R148 PolarHBondContact O-N 3.04Å; Y146-I149 PolarHBondContact O-N 3.33Å; Y146-L150 HydrophobicContact CD1-CD1 4.11Å; Y146-L150 HydrophobicContact CD1-CG 4.47Å; Y146-L150 HydrophobicContact CG-CD1 4.34Å; Y146-L150 WeakPolarHBondContact O-CB 3.18Å; Y146-L150 PolarHBondContact O-N 2.86Å; Y146-W158 AromaticContact CD1-CH2 3.8Å; Y146-W158 HydrophobicContact CD1-CH2 3.8Å; Y146-W158 HydrophobicContact CD1-CZ3 4.17Å; Y146-W158 HydrophobicContact CD2-CH2 4.47Å; Y146-W158 HydrophobicContact CD2-CZ3 4.06Å; Y146-W158 AromaticContact CE1-CH2 3.93Å; Y146-W158 HydrophobicContact CE1-CH2 3.93Å; Y146-W158 HydrophobicContact CE1-CZ3 4.44Å; Y146-W158 HydrophobicContact CE2-CZ3 4.33Å; Y146-W158 HydrophobicContact CG-CH2 4.08Å; Y146-W158 AromaticContact CG-CZ3 3.97Å; Y146-W158 HydrophobicContact CG-CZ3 3.97Å; Y146-V181 HydrophobicContact CD2-CG1 4.1Å; Y146-V181 HydrophobicContact CE2-CG1 3.63Å; Y146-E183 HydrophobicContact CD1-CG 4.35Å; Y146-E183 HydrophobicContact CE1-CG 3.67Å; Y146-E183 HydrophobicContact CE2-CG 4.06Å; Y146-A203 HydrophobicContact CE1-CB 4.09Å; Y146-A203 HydrophobicContact CE2-CB 4.19Å; Y146-A203 WeakPolarHBondContact OH-CB 3.14Å; Y146-A203 PolarHBondContact OH-N 3.15Å; Y146-A203 VanDerWaalsContact OH-N 3.11Å
147	E	73.1	Confident	84.1	Confident	115 Å²	115	47.5 Å²	47.5	54%	0.537	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-61.5	-12.9	176	-60.9	177.3	170.5	0	0	113.2	D145 V155	D145-E147 VanDerWaalsContact C-N 3.31Å; D145-E147 PolarHBondContact O-N 3.41Å; E147-V155 HydrophobicContact CG-CG2 4.41Å
148	R	71.9	Confident	83.9	Confident	160 Å²	160	50.8 Å²	50.8	60%	0.604	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-83.3	-16.7	173.8	-62.4	179.1	175	-168.6	-2.1	113.4	D145 Y146	D145-R148 WeakPolarHBondContact O-CB 3.27Å; D145-R148 PolarHBondContact O-N 3.31Å; Y146-R148 PolarHBondContact O-N 3.04Å
149	I	69.3	Low	83.8	Confident	51 Å²	51	52.1 Å²	52.1	26%	0.262	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-39.1	-169.7	-54	171	0	0	0	110.4	Y146 E183	Y146-I149 PolarHBondContact O-N 3.33Å; I149-E183 WeakPolarHBondContact CD1-OE2 3.5Å
150	L	71.7	Confident	83.5	Confident	32 Å²	32	53.6 Å²	53.6	17%	0.168	25%	0.252	C	S	.	.	S	Bend	trans	-96.3	145.2	178.2	-57.3	-179.3	0	0	0	110.1	Y146 E154 V155 W158	Y146-L150 HydrophobicContact CD1-CD1 4.11Å; Y146-L150 HydrophobicContact CD1-CG 4.47Å; Y146-L150 HydrophobicContact CG-CD1 4.34Å; Y146-L150 WeakPolarHBondContact O-CB 3.18Å; Y146-L150 PolarHBondContact O-N 2.86Å; L150-E154 WeakPolarHBondContact CA-OE2 3.37Å; L150-E154 HydrophobicContact CB-CB 4Å; L150-E154 HydrophobicContact CD2-CB 4.49Å; L150-E154 WeakPolarHBondContact CD2-OE2 3.12Å; L150-V155 HydrophobicContact CB-CG2 3.96Å; L150-V155 HydrophobicContact CD1-CG2 4.43Å; L150-W158 HydrophobicContact CD1-CD2 4.19Å; L150-W158 HydrophobicContact CD1-CE3 4.33Å; L150-W158 HydrophobicContact CD1-CH2 3.52Å; L150-W158 HydrophobicContact CD1-CZ2 3.36Å; L150-W158 HydrophobicContact CD1-CZ3 4.01Å
151	D	71.5	Confident	83.2	Confident	87 Å²	87	54.9 Å²	54.9	47%	0.465	26%	0.26	S	S	.	.			trans	-74.3	167	170.6	73.2	33	0	0	0	111.6	K153 E154 V155	D151-K153 PolarHBondContact O-N 3.09Å; D151-K153 VanDerWaalsContact OD1-CA 3.31Å; D151-K153 WeakPolarHBondContact OD1-CA 3.41Å; D151-K153 VanDerWaalsContact OD1-CB 3.24Å; D151-K153 WeakPolarHBondContact OD1-CB 3.5Å; D151-K153 PolarHBondContact OD1-N 2.97Å; D151-E154 PolarHBondContact N-OE2 2.78Å; D151-E154 PolarHBondContact O-N 3.04Å; D151-E154 WeakPolarHBondContact OD1-CG 3.24Å; D151-E154 PolarHBondContact OD1-N 2.91Å; D151-V155 WeakPolarHBondContact O-CG2 3.48Å; D151-V155 PolarHBondContact O-N 2.86Å; D151-V155 VanDerWaalsContact O-N 3.1Å
152	Q	74.2	Confident	83.1	Confident	132 Å²	132	54.9 Å²	54.9	62%	0.617	26%	0.26	S	S	*	.	H	α-helix	trans	-61.2	-28.5	-178.9	-169.6	62.6	27	0	0	112.4	S156	Q152-S156 WeakPolarHBondContact O-CB 3.18Å; Q152-S156 PolarHBondContact O-N 3.28Å
153	K	74.2	Confident	82.9	Confident	122 Å²	122	55.3 Å²	55.3	53%	0.53	26%	0.264	S	S	.	.	H	α-helix	trans	-72.5	-44.5	179.1	-176.7	-170.6	170.9	-64.4	0	110.2	D151 V155 S156 D157	D151-K153 PolarHBondContact O-N 3.09Å; D151-K153 VanDerWaalsContact OD1-CA 3.31Å; D151-K153 WeakPolarHBondContact OD1-CA 3.41Å; D151-K153 VanDerWaalsContact OD1-CB 3.24Å; D151-K153 WeakPolarHBondContact OD1-CB 3.5Å; D151-K153 PolarHBondContact OD1-N 2.97Å; K153-V155 PolarHBondContact O-N 2.9Å; K153-S156 CarbonylContact O-C 3.57Å; K153-S156 WeakPolarHBondContact O-CA 3.2Å; K153-S156 WeakPolarHBondContact O-CB 3.43Å; K153-S156 PolarHBondContact O-N 3.11Å; K153-S156 VanDerWaalsContact O-N 3.11Å; K153-D157 IonicContact NZ-OD1 3.84Å; K153-D157 IonicContact NZ-OD2 2.65Å; K153-D157 PolarHBondContact NZ-OD2 3.19Å; K153-D157 PolarHBondContact O-N 3.19Å
154	E	79.7	Confident	82.8	Confident	74 Å²	74	56 Å²	56	35%	0.346	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-43	176.2	-71.6	177.3	129.4	0	0	111.4	L150 D151 S156 D157 W158	L150-E154 WeakPolarHBondContact CA-OE2 3.37Å; L150-E154 HydrophobicContact CB-CB 4Å; L150-E154 HydrophobicContact CD2-CB 4.49Å; L150-E154 WeakPolarHBondContact CD2-OE2 3.12Å; D151-E154 PolarHBondContact N-OE2 2.78Å; D151-E154 PolarHBondContact O-N 3.04Å; D151-E154 WeakPolarHBondContact OD1-CG 3.24Å; D151-E154 PolarHBondContact OD1-N 2.91Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.11Å; E154-D157 PolarHBondContact O-N 2.98Å; E154-W158 PolarHBondContact O-N 2.9Å
155	V	83.5	Confident	82.9	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-38.5	173.6	178.3	0	0	0	0	110.9	E147 L150 D151 K153 W158 R159	E147-V155 HydrophobicContact CG-CG2 4.41Å; L150-V155 HydrophobicContact CB-CG2 3.96Å; L150-V155 HydrophobicContact CD1-CG2 4.43Å; D151-V155 WeakPolarHBondContact O-CG2 3.48Å; D151-V155 PolarHBondContact O-N 2.86Å; D151-V155 VanDerWaalsContact O-N 3.1Å; K153-V155 PolarHBondContact O-N 2.9Å; V155-W158 PolarHBondContact O-N 3.32Å; V155-R159 WeakPolarHBondContact O-CG 3.05Å; V155-R159 PolarHBondContact O-N 3.43Å; V155-R159 VanDerWaalsContact O-N 3.08Å
156	S	84.2	Confident	83.4	Confident	53 Å²	53	55.9 Å²	55.9	37%	0.371	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-41.8	173.6	-173.1	0	0	0	0	112.3	Q152 K153 E154 W158 R159 I160	Q152-S156 WeakPolarHBondContact O-CB 3.18Å; Q152-S156 PolarHBondContact O-N 3.28Å; K153-S156 CarbonylContact O-C 3.57Å; K153-S156 WeakPolarHBondContact O-CA 3.2Å; K153-S156 WeakPolarHBondContact O-CB 3.43Å; K153-S156 PolarHBondContact O-N 3.11Å; K153-S156 VanDerWaalsContact O-N 3.11Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.11Å; S156-W158 VanDerWaalsContact C-N 3.28Å; S156-W158 PolarHBondContact O-N 3.21Å; S156-R159 WeakPolarHBondContact O-CB 3.22Å; S156-R159 PolarHBondContact O-N 3.22Å; S156-R159 VanDerWaalsContact O-N 3.1Å; S156-I160 WeakPolarHBondContact O-CG1 3.24Å; S156-I160 PolarHBondContact O-N 2.94Å
157	D	85.3	Confident	84.1	Confident	53 Å²	53	55 Å²	55	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-39.2	176.3	-68.4	-18	0	0	0	110	K153 E154 I160 V161	K153-D157 IonicContact NZ-OD1 3.84Å; K153-D157 IonicContact NZ-OD2 2.65Å; K153-D157 PolarHBondContact NZ-OD2 3.19Å; K153-D157 PolarHBondContact O-N 3.19Å; E154-D157 PolarHBondContact O-N 2.98Å; D157-I160 PolarHBondContact O-N 3.5Å; D157-V161 WeakPolarHBondContact O-CG2 3.47Å; D157-V161 PolarHBondContact O-N 3.28Å
158	W	90	Very high	85.1	Confident	70 Å²	70	52.8 Å²	52.8	27%	0.265	26%	0.255	S	S	.	.	H	α-helix	trans	-62.8	-42.2	172.8	-73.6	23.6	0	0	0	112.2	I143 Y146 L150 E154 V155 S156 I160 V161 I162 V181 A203	I143-W158 HydrophobicContact CD1-CB 4.23Å; I143-W158 HydrophobicContact CD1-CE3 4.13Å; I143-W158 HydrophobicContact CG2-CE3 4.44Å; I143-W158 HydrophobicContact CG2-CZ3 4.44Å; Y146-W158 AromaticContact CD1-CH2 3.8Å; Y146-W158 HydrophobicContact CD1-CH2 3.8Å; Y146-W158 HydrophobicContact CD1-CZ3 4.17Å; Y146-W158 HydrophobicContact CD2-CH2 4.47Å; Y146-W158 HydrophobicContact CD2-CZ3 4.06Å; Y146-W158 AromaticContact CE1-CH2 3.93Å; Y146-W158 HydrophobicContact CE1-CH2 3.93Å; Y146-W158 HydrophobicContact CE1-CZ3 4.44Å; Y146-W158 HydrophobicContact CE2-CZ3 4.33Å; Y146-W158 HydrophobicContact CG-CH2 4.08Å; Y146-W158 AromaticContact CG-CZ3 3.97Å; Y146-W158 HydrophobicContact CG-CZ3 3.97Å; L150-W158 HydrophobicContact CD1-CD2 4.19Å; L150-W158 HydrophobicContact CD1-CE3 4.33Å; L150-W158 HydrophobicContact CD1-CH2 3.52Å; L150-W158 HydrophobicContact CD1-CZ2 3.36Å; L150-W158 HydrophobicContact CD1-CZ3 4.01Å; E154-W158 PolarHBondContact O-N 2.9Å; V155-W158 PolarHBondContact O-N 3.32Å; S156-W158 VanDerWaalsContact C-N 3.28Å; S156-W158 PolarHBondContact O-N 3.21Å; W158-I160 VanDerWaalsContact C-N 3.29Å; W158-I160 PolarHBondContact O-N 3.42Å; W158-V161 PolarHBondContact O-N 2.96Å; W158-I162 WeakPolarHBondContact O-CB 3.49Å; W158-I162 VanDerWaalsContact O-CG1 3.26Å; W158-I162 WeakPolarHBondContact O-CG1 3.38Å; W158-I162 PolarHBondContact O-N 2.94Å; W158-V181 HydrophobicContact CZ3-CG1 4.35Å; W158-A203 HydrophobicContact CH2-CB 3.28Å; W158-A203 HydrophobicContact CZ2-CB 4.16Å; W158-A203 HydrophobicContact CZ3-CB 3.64Å
159	R	91.8	Very high	86.2	Confident	52 Å²	52	46.7 Å²	46.7	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-42	175.3	-67.8	172.5	-176.1	-95.3	-2.2	111.3	V155 S156 A163 V169	V155-R159 WeakPolarHBondContact O-CG 3.05Å; V155-R159 PolarHBondContact O-N 3.43Å; V155-R159 VanDerWaalsContact O-N 3.08Å; S156-R159 WeakPolarHBondContact O-CB 3.22Å; S156-R159 PolarHBondContact O-N 3.22Å; S156-R159 VanDerWaalsContact O-N 3.1Å; R159-A163 VanDerWaalsContact O-CB 3.24Å; R159-A163 WeakPolarHBondContact O-CB 3.31Å; R159-A163 PolarHBondContact O-N 3.23Å; R159-V169 HydrophobicContact CB-CG2 4.33Å; R159-V169 HydrophobicContact CG-CB 3.96Å; R159-V169 HydrophobicContact CG-CG1 3.92Å; R159-V169 HydrophobicContact CG-CG2 4.1Å
160	I	89.8	Confident	87.4	Confident	31 Å²	31	47 Å²	47	16%	0.159	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-47.5	176.6	-67	157.8	0	0	0	110.5	S156 D157 W158 A163 Q164 I379 I386 F387	S156-I160 WeakPolarHBondContact O-CG1 3.24Å; S156-I160 PolarHBondContact O-N 2.94Å; D157-I160 PolarHBondContact O-N 3.5Å; W158-I160 VanDerWaalsContact C-N 3.29Å; W158-I160 PolarHBondContact O-N 3.42Å; I160-A163 PolarHBondContact O-N 3.17Å; I160-Q164 WeakPolarHBondContact O-CB 3.1Å; I160-Q164 PolarHBondContact O-N 3.31Å; I160-I379 HydrophobicContact CG2-CG2 4.06Å; I160-I386 HydrophobicContact CB-CG2 4.42Å; I160-I386 HydrophobicContact CD1-CG2 3.83Å; I160-I386 HydrophobicContact CG1-CG2 4.07Å; I160-I386 HydrophobicContact CG2-CG2 3.47Å; I160-I386 VanDerWaalsContact CG2-CG2 3.47Å; I160-F387 HydrophobicContact CG2-CE1 4.25Å; I160-F387 HydrophobicContact CG2-CE2 3.89Å; I160-F387 HydrophobicContact CG2-CZ 3.54Å
161	V	91.7	Very high	88.3	Confident	48 Å²	48	50.1 Å²	50.1	29%	0.291	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-42.9	-179.7	171.9	0	0	0	0	111.6	D157 W158 Q164 H165 L210	D157-V161 WeakPolarHBondContact O-CG2 3.47Å; D157-V161 PolarHBondContact O-N 3.28Å; W158-V161 PolarHBondContact O-N 2.96Å; V161-Q164 WeakPolarHBondContact O-CB 3.22Å; V161-Q164 PolarHBondContact O-N 3.2Å; V161-H165 PolarHBondContact O-N 3.05Å; V161-H165 PolarHBondContact O-ND1 3.33Å; V161-L210 HydrophobicContact CG1-CD1 3.75Å
162	I	94.8	Very high	89.3	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-46.7	175.6	-70.1	165	0	0	0	110.2	L136 F141 I143 W158 Q164 H165 G166 G167 V169 L206	L136-I162 HydrophobicContact CD1-CG2 4.25Å; F141-I162 HydrophobicContact CB-CD1 4.49Å; F141-I162 HydrophobicContact CD2-CD1 4.46Å; F141-I162 HydrophobicContact CD2-CG2 3.6Å; F141-I162 HydrophobicContact CE2-CG2 4Å; F141-I162 HydrophobicContact CG-CD1 4.45Å; I143-I162 HydrophobicContact CD1-CD1 4.25Å; W158-I162 WeakPolarHBondContact O-CB 3.49Å; W158-I162 VanDerWaalsContact O-CG1 3.26Å; W158-I162 WeakPolarHBondContact O-CG1 3.38Å; W158-I162 PolarHBondContact O-N 2.94Å; I162-Q164 VanDerWaalsContact C-N 3.34Å; I162-Q164 PolarHBondContact O-N 3.42Å; I162-H165 CarbonylContact O-C 3.57Å; I162-H165 PolarHBondContact O-N 3.32Å; I162-H165 VanDerWaalsContact O-N 3.1Å; I162-G166 PolarHBondContact O-N 3.37Å; I162-G167 PolarHBondContact O-N 3.41Å; I162-V169 HydrophobicContact CB-CG2 3.89Å; I162-V169 HydrophobicContact CD1-CG2 3.61Å; I162-V169 HydrophobicContact CG1-CG2 4.36Å; I162-V169 HydrophobicContact CG2-CG2 3.68Å; I162-L206 HydrophobicContact CD1-CD2 3.82Å; I162-L206 HydrophobicContact CG1-CD2 3.89Å
163	A	93.7	Very high	90.3	Very high	15 Å²	15	48.8 Å²	48.8	12%	0.124	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-39.4	177.2	0	0	0	0	0	113.1	R159 I160 H165 G166 G167 K375 I379	R159-A163 VanDerWaalsContact O-CB 3.24Å; R159-A163 WeakPolarHBondContact O-CB 3.31Å; R159-A163 PolarHBondContact O-N 3.23Å; I160-A163 PolarHBondContact O-N 3.17Å; A163-H165 PolarHBondContact O-N 2.77Å; A163-G166 PolarHBondContact O-N 2.91Å; A163-G166 VanDerWaalsContact O-N 3.15Å; A163-G167 VanDerWaalsContact CA-O 3.3Å; A163-G167 WeakPolarHBondContact CA-O 3.28Å; A163-K375 HydrophobicContact CB-CD 3.73Å; A163-K375 HydrophobicContact CB-CG 4.4Å; A163-I379 HydrophobicContact CB-CD1 3.66Å
164	Q	90.6	Very high	91.3	Very high	21 Å²	21	44.9 Å²	44.9	10%	0.098	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-28.7	175.9	-169.3	-174.6	-2.8	0	0	112.1	I160 V161 I162 R376 I379	I160-Q164 WeakPolarHBondContact O-CB 3.1Å; I160-Q164 PolarHBondContact O-N 3.31Å; V161-Q164 WeakPolarHBondContact O-CB 3.22Å; V161-Q164 PolarHBondContact O-N 3.2Å; I162-Q164 VanDerWaalsContact C-N 3.34Å; I162-Q164 PolarHBondContact O-N 3.42Å; Q164-R376 HydrophobicContact CG-CG 4.39Å; Q164-R376 WeakPolarHBondContact O-CD 3.24Å; Q164-R376 WeakPolarHBondContact O-CG 3.47Å; Q164-R376 PolarHBondContact O-NH1 3.37Å; Q164-I379 HydrophobicContact CB-CD1 4.41Å; Q164-I379 HydrophobicContact CB-CG2 4.23Å; Q164-I379 HydrophobicContact CG-CG2 4.21Å
165	H	94.7	Very high	92	Very high	32 Å²	32	45.3 Å²	45.3	15%	0.148	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	15	178.6	-63.8	85.3	0	0	0	113.8	E133 L134 C135 L136 V161 I162 A163 L210	E133-H165 VanDerWaalsContact O-CA 3.31Å; E133-H165 WeakPolarHBondContact O-CA 3.16Å; L134-H165 CarbonylContact C-O 3.58Å; L134-H165 WeakPolarHBondContact CA-O 3.46Å; C135-H165 PolarHBondContact N-O 3.33Å; L136-H165 WeakPolarHBondContact CA-O 3.29Å; L136-H165 WeakPolarHBondContact CB-O 3.33Å; L136-H165 HydrophobicContact CD1-CB 4.05Å; L136-H165 HydrophobicContact CG-CB 4.11Å; L136-H165 PolarHBondContact N-O 3.28Å; V161-H165 PolarHBondContact O-N 3.05Å; V161-H165 PolarHBondContact O-ND1 3.33Å; I162-H165 CarbonylContact O-C 3.57Å; I162-H165 PolarHBondContact O-N 3.32Å; I162-H165 VanDerWaalsContact O-N 3.1Å; A163-H165 PolarHBondContact O-N 2.77Å; H165-L210 HydrophobicContact CB-CD2 3.63Å
166	G	93.5	Very high	92.5	Very high	5 Å²	5	52.2 Å²	52.2	5%	0.052	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	2.3	171.7	0	0	0	0	0	115.8	I137 I162 A163	I137-G166 WeakPolarHBondContact CA-O 3.38Å; I162-G166 PolarHBondContact O-N 3.37Å; A163-G166 PolarHBondContact O-N 2.91Å; A163-G166 VanDerWaalsContact O-N 3.15Å
167	G	96.4	Very high	93.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.			trans	-86.9	167.6	174	0	0	0	0	0	112.8	L136 C139 I162 A163	L136-G167 WeakPolarHBondContact O-CA 3.41Å; C139-G167 CarbonylContact O-C 3.59Å; C139-G167 WeakPolarHBondContact O-CA 3.4Å; I162-G167 PolarHBondContact O-N 3.41Å; A163-G167 VanDerWaalsContact CA-O 3.3Å; A163-G167 WeakPolarHBondContact CA-O 3.28Å
168	D	95.6	Very high	93.6	Very high	70 Å²	70	48.8 Å²	48.8	37%	0.374	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	156.3	172.8	-71.1	-47.8	0	0	0	110.8	C139 V140 F141 K375	C139-D168 PolarHBondContact O-N 2.55Å; V140-D168 CarbonylContact C-O 3.53Å; V140-D168 WeakPolarHBondContact CA-O 3.5Å; V140-D168 HydrophobicContact CG1-CB 4.42Å; V140-D168 HydrophobicContact CG2-CB 4.29Å; F141-D168 PolarHBondContact N-O 3.43Å; D168-K375 IonicContact OD1-NZ 2.62Å; D168-K375 PolarHBondContact OD1-NZ 3.11Å
169	V	94.8	Very high	94	Very high	31 Å²	31	45.4 Å²	45.4	19%	0.188	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.7	175.6	-169.4	0	0	0	0	110.3	F141 I143 R159 I162	F141-V169 HydrophobicContact CB-CG2 4.35Å; F141-V169 CarbonylContact O-C 3.59Å; F141-V169 VanDerWaalsContact O-CA 3.31Å; F141-V169 WeakPolarHBondContact O-CA 2.92Å; I143-V169 HydrophobicContact CD1-CG1 4.1Å; I143-V169 HydrophobicContact CG1-CG1 4.3Å; R159-V169 HydrophobicContact CB-CG2 4.33Å; R159-V169 HydrophobicContact CG-CB 3.96Å; R159-V169 HydrophobicContact CG-CG1 3.92Å; R159-V169 HydrophobicContact CG-CG2 4.1Å; I162-V169 HydrophobicContact CB-CG2 3.89Å; I162-V169 HydrophobicContact CD1-CG2 3.61Å; I162-V169 HydrophobicContact CG1-CG2 4.36Å; I162-V169 HydrophobicContact CG2-CG2 3.68Å
170	E	94.4	Very high	94.2	Very high	58 Å²	58	43 Å²	43	27%	0.271	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	156.3	173.3	-71.4	-72.6	-176	0	0	110.9	V140 F141	V140-E170 HydrophobicContact CG1-CG 3.56Å; F141-E170 PolarHBondContact O-N 2.88Å
171	T	90.7	Very high	94.5	Very high	98 Å²	98	41.5 Å²	41.5	60%	0.601	23%	0.232	S	C	*	.	S	Bend	trans	-91.3	-28.7	172.8	51	0	0	0	0	112.3
172	L	92.1	Very high	94.6	Very high	131 Å²	131	39.2 Å²	39.2	69%	0.686	22%	0.218	S	C	*	.	S	Bend	trans	-124.5	150.6	-179.6	-63.8	174.1	0	0	0	110.1	S174	L172-S174 PolarHBondContact O-N 2.89Å
173	Y	95.4	Very high	94.4	Very high	59 Å²	59	42.9 Å²	42.9	23%	0.231	24%	0.236	C	C	.	.			trans	-67	128.8	175.5	-174.8	-108.1	0	0	0	110.6	L142 C177 V180 V189 Q192 A193 D196 R198	L142-Y173 HydrophobicContact CD2-CD2 3.89Å; L142-Y173 HydrophobicContact CD2-CG 4.26Å; Y173-C177 HydrophobicContact CD2-CB 4.23Å; Y173-C177 HydrophobicContact CE2-CB 4.13Å; Y173-V180 HydrophobicContact CD2-CG2 4.42Å; Y173-V180 HydrophobicContact CE2-CG2 4.24Å; Y173-V189 HydrophobicContact CD2-CG1 3.9Å; Y173-V189 HydrophobicContact CG-CG1 3.83Å; Y173-Q192 HydrophobicContact CE1-CG 3.98Å; Y173-A193 HydrophobicContact CE2-CB 3.8Å; Y173-A193 WeakPolarHBondContact OH-CA 2.85Å; Y173-D196 WeakPolarHBondContact CE1-OD2 3.46Å; Y173-D196 WeakPolarHBondContact OH-CB 3.49Å; Y173-D196 PolarHBondContact OH-OD2 2.72Å; Y173-R198 HydrophobicContact CE2-CG 4.46Å; Y173-R198 WeakPolarHBondContact OH-CG 3.33Å
174	S	95.2	Very high	94.2	Very high	40 Å²	40	42.9 Å²	42.9	28%	0.28	24%	0.235	S	C	.	.			trans	-146.5	170.5	177.9	74.6	0	0	0	0	111	L172 K176 C177	L172-S174 PolarHBondContact O-N 2.89Å; S174-K176 PolarHBondContact O-N 3.04Å; S174-K176 PolarHBondContact OG-N 3.41Å; S174-C177 WeakPolarHBondContact O-CB 3.48Å; S174-C177 PolarHBondContact O-N 3.37Å
175	A	93.9	Very high	94.2	Very high	83 Å²	83	42.5 Å²	42.5	69%	0.686	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.1	176.8	0	0	0	0	0	114	R198	A175-R198 PolarHBondContact O-NH2 3.45Å
176	K	94.3	Very high	94	Very high	145 Å²	145	48.7 Å²	48.7	63%	0.63	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-26.5	175.3	-63.2	-179.3	-179.4	175.4	0	112.6	V140 S174 T178	V140-K176 VanDerWaalsContact CB-O 3.32Å; V140-K176 WeakPolarHBondContact CB-O 3.47Å; V140-K176 HydrophobicContact CG1-CB 4.45Å; S174-K176 PolarHBondContact O-N 3.04Å; S174-K176 PolarHBondContact OG-N 3.41Å; K176-T178 PolarHBondContact O-N 3.33Å
177	C	96.5	Very high	93.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.			trans	-62.3	121.6	-177.4	-62.7	0	0	0	0	110.3	Y173 S174 R198	Y173-C177 HydrophobicContact CD2-CB 4.23Å; Y173-C177 HydrophobicContact CE2-CB 4.13Å; S174-C177 WeakPolarHBondContact O-CB 3.48Å; S174-C177 PolarHBondContact O-N 3.37Å; C177-R198 VanDerWaalsContact O-CD 3.27Å; C177-R198 WeakPolarHBondContact O-CD 3.27Å; C177-R198 PolarHBondContact O-NE 2.8Å
178	T	96.3	Very high	93.7	Very high	34 Å²	34	54.9 Å²	54.9	21%	0.209	29%	0.291	C	S	.	.			trans	-96.1	-27.4	173.8	59.8	0	0	0	0	111.7	C139 V140 K176 R199	C139-T178 WeakPolarHBondContact CA-OG1 3.28Å; V140-T178 PolarHBondContact N-OG1 2.84Å; V140-T178 PolarHBondContact O-N 3.19Å; V140-T178 PolarHBondContact O-OG1 3.33Å; K176-T178 PolarHBondContact O-N 3.33Å; T178-R199 PolarHBondContact O-N 2.92Å; T178-R199 VanDerWaalsContact O-N 3.14Å
179	H	97.4	Very high	93.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.3	-178.2	-60.8	76.2	0	0	0	111.7	C139 V140 F141 L142 R199 W205 W358	C139-H179 VanDerWaalsContact SG-CE1 3.59Å; V140-H179 PolarHBondContact O-N 2.99Å; V140-H179 VanDerWaalsContact O-N 3.08Å; F141-H179 CarbonylContact C-O 3.58Å; F141-H179 WeakPolarHBondContact CA-O 3.37Å; F141-H179 HydrophobicContact CD1-CB 3.37Å; F141-H179 HydrophobicContact CE1-CB 3.39Å; F141-H179 AromaticContact CE1-CG 3.63Å; F141-H179 HydrophobicContact CG-CB 4.26Å; F141-H179 HydrophobicContact CZ-CB 4.32Å; L142-H179 PolarHBondContact N-O 3.29Å; H179-R199 CarbonylContact C-O 3.51Å; H179-R199 VanDerWaalsContact CA-O 3.24Å; H179-R199 WeakPolarHBondContact CA-O 3.32Å; H179-R199 WeakPolarHBondContact NE2-CD 3.45Å; H179-W205 AromaticContact CD2-CH2 3.89Å; H179-W205 AromaticContact NE2-CH2 3.99Å; H179-W358 AromaticContact NE2-CH2 3.75Å
180	V	97	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.9	170.5	-178	0	0	0	0	109	L142 V144 Y173 C182 V190 A193 R199 C200 V201	L142-V180 HydrophobicContact CB-CG2 4.48Å; L142-V180 CarbonylContact O-C 3.57Å; L142-V180 WeakPolarHBondContact O-CA 3.49Å; V144-V180 HydrophobicContact CG1-CG1 4.5Å; V144-V180 HydrophobicContact CG2-CG1 3.73Å; Y173-V180 HydrophobicContact CD2-CG2 4.42Å; Y173-V180 HydrophobicContact CE2-CG2 4.24Å; V180-C182 HydrophobicContact CG1-CB 4.45Å; V180-V190 HydrophobicContact CG1-CG2 4.01Å; V180-A193 HydrophobicContact CB-CB 4.43Å; V180-A193 HydrophobicContact CG2-CB 3.6Å; V180-R199 PolarHBondContact N-O 3.26Å; V180-C200 WeakPolarHBondContact O-CA 3.45Å; V180-V201 PolarHBondContact O-N 3.07Å
181	V	95.9	Very high	93.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.1	178.1	-179.8	0	0	0	0	108.6	F141 L142 I143 V144 Y146 W158 V201 A203	F141-V181 HydrophobicContact CD1-CG2 3.72Å; F141-V181 HydrophobicContact CE1-CG2 4.35Å; L142-V181 PolarHBondContact O-N 3.49Å; I143-V181 HydrophobicContact CG1-CB 4.29Å; V144-V181 PolarHBondContact N-O 3.46Å; Y146-V181 HydrophobicContact CD2-CG1 4.1Å; Y146-V181 HydrophobicContact CE2-CG1 3.63Å; W158-V181 HydrophobicContact CZ3-CG1 4.35Å; V181-V201 CarbonylContact C-O 3.09Å; V181-V201 VanDerWaalsContact CA-O 3.25Å; V181-V201 WeakPolarHBondContact CA-O 3.39Å; V181-V201 HydrophobicContact CG2-CG2 4.35Å; V181-A203 HydrophobicContact CG1-CB 4.29Å
182	C	93.7	Very high	93.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.			trans	-153.1	160	-172	57.8	0	0	0	0	113.3	V144 V180 V190 V201 P225	V144-C182 HydrophobicContact CG2-CB 3.48Å; V144-C182 VanDerWaalsContact CG2-CB 3.48Å; V180-C182 HydrophobicContact CG1-CB 4.45Å; C182-V190 HydrophobicContact CB-CG2 3.52Å; C182-V190 WeakPolarHBondContact SG-CG2 3.42Å; C182-V201 PolarHBondContact N-O 2.82Å; C182-P225 WeakPolarHBondContact SG-CG 3.34Å
183	E	89.8	Confident	93.8	Very high	79 Å²	79	46.3 Å²	46.3	37%	0.369	24%	0.239	S	C	.	.	S	Bend	trans	-96.1	-23.2	177.8	-65.7	-164.9	137.7	0	0	113.8	Y146 I149 S226	Y146-E183 HydrophobicContact CD1-CG 4.35Å; Y146-E183 HydrophobicContact CE1-CG 3.67Å; Y146-E183 HydrophobicContact CE2-CG 4.06Å; I149-E183 WeakPolarHBondContact CD1-OE2 3.5Å; E183-S226 PolarHBondContact O-N 2.85Å; E183-S226 PolarHBondContact O-OG 3.13Å; E183-S226 VanDerWaalsContact O-OG 3.05Å
184	S	90.3	Very high	93.7	Very high	15 Å²	15	45.9 Å²	45.9	11%	0.105	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-134.3	137	-174.7	-174.1	0	0	0	0	113.1	R186 H187 Y228	S184-R186 PolarHBondContact O-N 2.99Å; S184-R186 WeakPolarHBondContact OG-CB 3.26Å; S184-R186 PolarHBondContact OG-N 3.37Å; S184-R186 VanDerWaalsContact OG-N 3.1Å; S184-H187 PolarHBondContact O-N 2.79Å; S184-Y228 WeakPolarHBondContact CB-O 3.4Å; S184-Y228 PolarHBondContact OG-O 3.45Å
185	L	91.1	Very high	93.6	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.068	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-5.8	169.6	-61.3	176.5	0	0	0	113.2	V190 Q191 L194 P225 S226 W350	L185-V190 HydrophobicContact CD2-CG1 4.19Å; L185-Q191 WeakPolarHBondContact O-CG 3.3Å; L185-L194 HydrophobicContact CD2-CD1 4.1Å; L185-P225 HydrophobicContact CD2-CB 3.8Å; L185-P225 HydrophobicContact CD2-CG 3.92Å; L185-P225 HydrophobicContact CG-CB 4.02Å; L185-S226 PolarHBondContact N-O 3.22Å; L185-W350 HydrophobicContact CD1-CZ2 3.81Å
186	R	89.7	Confident	93.6	Very high	162 Å²	162	51.1 Å²	51.1	61%	0.611	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-10.3	179.3	-62.7	-63.1	-177.2	162.4	1.1	113.3	S184 A227	S184-R186 PolarHBondContact O-N 2.99Å; S184-R186 WeakPolarHBondContact OG-CB 3.26Å; S184-R186 PolarHBondContact OG-N 3.37Å; S184-R186 VanDerWaalsContact OG-N 3.1Å; R186-A227 PolarHBondContact NE-O 2.8Å
187	H	90.8	Very high	93.5	Very high	43 Å²	43	46.3 Å²	46.3	20%	0.199	24%	0.237	C	C	.	.	S	Bend	trans	-65.9	132.8	178.2	-172.1	-90.7	0	0	0	110.9	D145 S184 V189 V190 Q191	D145-H187 IonicContact OD1-CD2 3.43Å; D145-H187 PolarHBondContact OD1-CD2 2.9Å; D145-H187 IonicContact OD1-CG 2.71Å; D145-H187 IonicContact OD1-NE2 3.98Å; D145-H187 WeakPolarHBondContact OD2-CB 3.44Å; D145-H187 IonicContact OD2-CD2 3.85Å; D145-H187 IonicContact OD2-CG 2.7Å; S184-H187 PolarHBondContact O-N 2.79Å; H187-V189 VanDerWaalsContact C-N 3.34Å; H187-V189 WeakPolarHBondContact ND1-CB 3.35Å; H187-V189 PolarHBondContact ND1-N 3.32Å; H187-V189 PolarHBondContact O-N 3.35Å; H187-V190 HydrophobicContact CB-CB 4.11Å; H187-V190 HydrophobicContact CB-CG2 3.72Å; H187-V190 WeakPolarHBondContact O-CA 3.07Å; H187-V190 WeakPolarHBondContact O-CB 3.27Å; H187-V190 PolarHBondContact O-N 2.92Å; H187-Q191 PolarHBondContact O-N 3.48Å
188	P	92.5	Very high	93.4	Very high	92 Å²	92	49.7 Å²	49.7	60%	0.597	25%	0.25	S	S	*	.	H	α-helix	trans	-56.7	-43.3	-174.3	-27.3	34.8	0	0	0	113.8	V190 Q191 Q192	P188-V190 VanDerWaalsContact C-N 3.27Å; P188-V190 PolarHBondContact O-N 3.48Å; P188-Q191 WeakPolarHBondContact O-CB 3.38Å; P188-Q191 PolarHBondContact O-N 3.08Å; P188-Q192 PolarHBondContact O-N 3.35Å
189	V	94.2	Very high	93.4	Very high	41 Å²	41	48.5 Å²	48.5	25%	0.248	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-35.2	177.2	178.7	0	0	0	0	111.5	L142 V144 Y173 H187 Q192 A193	L142-V189 HydrophobicContact CD2-CG1 3.63Å; V144-V189 HydrophobicContact CG1-CG1 4.36Å; Y173-V189 HydrophobicContact CD2-CG1 3.9Å; Y173-V189 HydrophobicContact CG-CG1 3.83Å; H187-V189 VanDerWaalsContact C-N 3.34Å; H187-V189 WeakPolarHBondContact ND1-CB 3.35Å; H187-V189 PolarHBondContact ND1-N 3.32Å; H187-V189 PolarHBondContact O-N 3.35Å; V189-Q192 PolarHBondContact O-N 3Å; V189-A193 VanDerWaalsContact O-CB 3.23Å; V189-A193 WeakPolarHBondContact O-CB 3.37Å; V189-A193 PolarHBondContact O-N 3.31Å
190	V	93.5	Very high	93.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.1	-39.1	178.1	178.2	0	0	0	0	110	V144 V180 C182 L185 H187 P188 A193 L194 C200	V144-V190 HydrophobicContact CG2-CG2 3.81Å; V180-V190 HydrophobicContact CG1-CG2 4.01Å; C182-V190 HydrophobicContact CB-CG2 3.52Å; C182-V190 WeakPolarHBondContact SG-CG2 3.42Å; L185-V190 HydrophobicContact CD2-CG1 4.19Å; H187-V190 HydrophobicContact CB-CB 4.11Å; H187-V190 HydrophobicContact CB-CG2 3.72Å; H187-V190 WeakPolarHBondContact O-CA 3.07Å; H187-V190 WeakPolarHBondContact O-CB 3.27Å; H187-V190 PolarHBondContact O-N 2.92Å; P188-V190 VanDerWaalsContact C-N 3.27Å; P188-V190 PolarHBondContact O-N 3.48Å; V190-A193 PolarHBondContact O-N 2.86Å; V190-L194 HydrophobicContact CG1-CD1 4.23Å; V190-L194 HydrophobicContact CG1-CG 4.49Å; V190-L194 WeakPolarHBondContact O-CB 3.4Å; V190-L194 WeakPolarHBondContact O-CG 3.23Å; V190-L194 PolarHBondContact O-N 3.45Å; V190-C200 HydrophobicContact CG1-CB 4.11Å
191	Q	93.8	Very high	93.2	Very high	86 Å²	86	49 Å²	49	40%	0.402	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-41.2	174.6	-66.2	-178.6	-4.1	0	0	112.1	L185 H187 P188 L194 K195	L185-Q191 WeakPolarHBondContact O-CG 3.3Å; H187-Q191 PolarHBondContact O-N 3.48Å; P188-Q191 WeakPolarHBondContact O-CB 3.38Å; P188-Q191 PolarHBondContact O-N 3.08Å; Q191-L194 PolarHBondContact O-N 2.83Å; Q191-K195 WeakPolarHBondContact O-CG 3.15Å; Q191-K195 PolarHBondContact O-N 2.98Å
192	Q	94.9	Very high	93.2	Very high	80 Å²	80	49.6 Å²	49.6	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-65	-46.7	174.6	-172.8	56.8	42.1	0	0	111.2	Y173 P188 V189 L194 K195 D196	Y173-Q192 HydrophobicContact CE1-CG 3.98Å; P188-Q192 PolarHBondContact O-N 3.35Å; V189-Q192 PolarHBondContact O-N 3Å; Q192-L194 VanDerWaalsContact C-N 3.29Å; Q192-L194 PolarHBondContact O-N 3.43Å; Q192-K195 WeakPolarHBondContact O-CB 3.35Å; Q192-K195 PolarHBondContact O-N 3.32Å; Q192-D196 PolarHBondContact NE2-OD1 2.9Å; Q192-D196 PolarHBondContact NE2-OD2 3.29Å; Q192-D196 VanDerWaalsContact O-CG 3.31Å; Q192-D196 PolarHBondContact O-N 2.93Å
193	A	94.8	Very high	93.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58	-39.1	176.9	0	0	0	0	0	113	Y173 V180 V189 V190 D196 G197 R198	Y173-A193 HydrophobicContact CE2-CB 3.8Å; Y173-A193 WeakPolarHBondContact OH-CA 2.85Å; V180-A193 HydrophobicContact CB-CB 4.43Å; V180-A193 HydrophobicContact CG2-CB 3.6Å; V189-A193 VanDerWaalsContact O-CB 3.23Å; V189-A193 WeakPolarHBondContact O-CB 3.37Å; V189-A193 PolarHBondContact O-N 3.31Å; V190-A193 PolarHBondContact O-N 2.86Å; A193-D196 CarbonylContact O-C 3.58Å; A193-D196 PolarHBondContact O-N 2.82Å; A193-G197 PolarHBondContact O-N 3.39Å; A193-R198 HydrophobicContact CB-CB 4.06Å; A193-R198 HydrophobicContact CB-CG 4.35Å; A193-R198 WeakPolarHBondContact O-CB 3.43Å; A193-R198 WeakPolarHBondContact O-CG 3.31Å; A193-R198 PolarHBondContact O-N 3.39Å
194	L	92.6	Very high	93.2	Very high	51 Å²	51	49.4 Å²	49.4	27%	0.267	25%	0.251	S	S	.	.	H	α-helix	trans	-65.6	-36.4	174.1	-72.5	168.7	0	0	0	112.8	L185 V190 Q191 Q192 D196 G197 C200	L185-L194 HydrophobicContact CD2-CD1 4.1Å; V190-L194 HydrophobicContact CG1-CD1 4.23Å; V190-L194 HydrophobicContact CG1-CG 4.49Å; V190-L194 WeakPolarHBondContact O-CB 3.4Å; V190-L194 WeakPolarHBondContact O-CG 3.23Å; V190-L194 PolarHBondContact O-N 3.45Å; Q191-L194 PolarHBondContact O-N 2.83Å; Q192-L194 VanDerWaalsContact C-N 3.29Å; Q192-L194 PolarHBondContact O-N 3.43Å; L194-D196 VanDerWaalsContact C-N 3.34Å; L194-G197 PolarHBondContact O-N 3.16Å; L194-C200 HydrophobicContact CD2-CB 4.07Å
195	K	92.3	Very high	93.4	Very high	162 Å²	162	48.7 Å²	48.7	70%	0.704	25%	0.246	S	C	*	.	H	α-helix	trans	-67.5	-37.4	174.9	-70.3	174.1	-177.1	177.4	0	111.4	Q191 Q192 G197	Q191-K195 WeakPolarHBondContact O-CG 3.15Å; Q191-K195 PolarHBondContact O-N 2.98Å; Q192-K195 WeakPolarHBondContact O-CB 3.35Å; Q192-K195 PolarHBondContact O-N 3.32Å; K195-G197 PolarHBondContact O-N 3.34Å
196	D	94.3	Very high	93.7	Very high	71 Å²	71	48.5 Å²	48.5	38%	0.38	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	7.5	178.6	-57.9	-17.7	0	0	0	113	Y173 Q192 A193 L194 R198	Y173-D196 WeakPolarHBondContact CE1-OD2 3.46Å; Y173-D196 WeakPolarHBondContact OH-CB 3.49Å; Y173-D196 PolarHBondContact OH-OD2 2.72Å; Q192-D196 PolarHBondContact NE2-OD1 2.9Å; Q192-D196 PolarHBondContact NE2-OD2 3.29Å; Q192-D196 VanDerWaalsContact O-CG 3.31Å; Q192-D196 PolarHBondContact O-N 2.93Å; A193-D196 CarbonylContact O-C 3.58Å; A193-D196 PolarHBondContact O-N 2.82Å; L194-D196 VanDerWaalsContact C-N 3.34Å; D196-R198 VanDerWaalsContact C-N 3.35Å; D196-R198 HydrophobicContact CB-CG 4.08Å; D196-R198 PolarHBondContact O-N 3.12Å
197	G	92.5	Very high	93.8	Very high	44 Å²	44	45.2 Å²	45.2	45%	0.454	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	27.6	178.4	0	0	0	0	0	114.3	A193 L194 K195 A357	A193-G197 PolarHBondContact O-N 3.39Å; L194-G197 PolarHBondContact O-N 3.16Å; K195-G197 PolarHBondContact O-N 3.34Å; G197-A357 WeakPolarHBondContact O-CB 3.25Å
198	R	94.7	Very high	93.9	Very high	71 Å²	71	43.7 Å²	43.7	27%	0.268	23%	0.233	S	C	.	.			trans	-88.3	154.1	179.3	-49	-50.7	-177.1	174.6	1.9	112.3	Y173 A175 C177 A193 D196 C200	Y173-R198 HydrophobicContact CE2-CG 4.46Å; Y173-R198 WeakPolarHBondContact OH-CG 3.33Å; A175-R198 PolarHBondContact O-NH2 3.45Å; C177-R198 VanDerWaalsContact O-CD 3.27Å; C177-R198 WeakPolarHBondContact O-CD 3.27Å; C177-R198 PolarHBondContact O-NE 2.8Å; A193-R198 HydrophobicContact CB-CB 4.06Å; A193-R198 HydrophobicContact CB-CG 4.35Å; A193-R198 WeakPolarHBondContact O-CB 3.43Å; A193-R198 WeakPolarHBondContact O-CG 3.31Å; A193-R198 PolarHBondContact O-N 3.39Å; D196-R198 VanDerWaalsContact C-N 3.35Å; D196-R198 HydrophobicContact CB-CG 4.08Å; D196-R198 PolarHBondContact O-N 3.12Å; R198-C200 PolarHBondContact O-N 2.74Å
199	R	95.6	Very high	94	Very high	9 Å²	9	39.3 Å²	39.3	3%	0.034	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	106.5	-177	-63.3	170.1	176.3	-164.8	-1.2	110.5	H117 G118 T178 H179 V180 A357 W358 V360	H117-R199 PolarHBondContact O-NH2 2.89Å; G118-R199 PolarHBondContact O-NH1 3.36Å; G118-R199 PolarHBondContact O-NH2 2.79Å; T178-R199 PolarHBondContact O-N 2.92Å; T178-R199 VanDerWaalsContact O-N 3.14Å; H179-R199 CarbonylContact C-O 3.51Å; H179-R199 VanDerWaalsContact CA-O 3.24Å; H179-R199 WeakPolarHBondContact CA-O 3.32Å; H179-R199 WeakPolarHBondContact NE2-CD 3.45Å; V180-R199 PolarHBondContact N-O 3.26Å; R199-A357 HydrophobicContact CG-CB 3.73Å; R199-A357 PolarHBondContact NE-O 2.86Å; R199-A357 VanDerWaalsContact NE-O 3.07Å; R199-W358 HydrophobicContact CB-CZ2 3.87Å; R199-W358 HydrophobicContact CG-CD2 4.2Å; R199-W358 HydrophobicContact CG-CG 4.46Å; R199-W358 HydrophobicContact CG-CZ2 3.95Å; R199-W358 VanDerWaalsContact CZ-CE3 3.46Å; R199-V360 PolarHBondContact NH2-O 2.8Å
200	C	95.4	Very high	93.9	Very high	11 Å²	11	38.7 Å²	38.7	7%	0.074	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.9	177.6	-60.4	0	0	0	0	110.5	V180 V190 L194 R198 P225	V180-C200 WeakPolarHBondContact O-CA 3.45Å; V190-C200 HydrophobicContact CG1-CB 4.11Å; L194-C200 HydrophobicContact CD2-CB 4.07Å; R198-C200 PolarHBondContact O-N 2.74Å; C200-P225 HydrophobicContact CB-CG 4.38Å; C200-P225 WeakPolarHBondContact O-CD 3.47Å
201	V	95.6	Very high	93.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	163.1	-169.7	-69.5	0	0	0	0	110.8	V180 V181 C182 W205 P218 H223 W358	V180-V201 PolarHBondContact O-N 3.07Å; V181-V201 CarbonylContact C-O 3.09Å; V181-V201 VanDerWaalsContact CA-O 3.25Å; V181-V201 WeakPolarHBondContact CA-O 3.39Å; V181-V201 HydrophobicContact CG2-CG2 4.35Å; C182-V201 PolarHBondContact N-O 2.82Å; V201-W205 HydrophobicContact CB-CB 4.05Å; V201-W205 HydrophobicContact CB-CD2 3.83Å; V201-W205 HydrophobicContact CB-CE3 3.73Å; V201-W205 HydrophobicContact CB-CG 3.97Å; V201-W205 HydrophobicContact CG1-CB 4.47Å; V201-W205 HydrophobicContact CG1-CD2 3.78Å; V201-W205 HydrophobicContact CG1-CE3 4.04Å; V201-W205 HydrophobicContact CG1-CG 3.95Å; V201-W205 HydrophobicContact CG2-CD2 4.02Å; V201-W205 HydrophobicContact CG2-CE3 3.39Å; V201-W205 HydrophobicContact CG2-CZ3 3.84Å; V201-P218 HydrophobicContact CG1-CG 3.9Å; V201-H223 WeakPolarHBondContact CA-O 3.3Å; V201-W358 HydrophobicContact CG1-CZ2 3.86Å
202	T	94.7	Very high	93.5	Very high	11 Å²	11	40 Å²	40	7%	0.067	22%	0.22	C	C	.	.			trans	-93.5	168.1	174.4	65	0	0	0	0	111.7	Q204 W205 L206 V222 H223 F224 P225	T202-Q204 PolarHBondContact O-N 3.41Å; T202-Q204 PolarHBondContact OG1-N 3.16Å; T202-W205 WeakPolarHBondContact O-CB 3.38Å; T202-W205 PolarHBondContact O-N 2.62Å; T202-W205 PolarHBondContact OG1-N 3.5Å; T202-L206 PolarHBondContact O-N 3.15Å; T202-V222 WeakPolarHBondContact CB-O 3.34Å; T202-V222 VanDerWaalsContact CG2-O 3.26Å; T202-V222 WeakPolarHBondContact CG2-O 3.18Å; T202-V222 PolarHBondContact OG1-O 2.96Å; T202-H223 PolarHBondContact N-O 2.78Å; T202-H223 PolarHBondContact OG1-O 2.95Å; T202-F224 VanDerWaalsContact CG2-C 3.41Å; T202-F224 WeakPolarHBondContact CG2-O 3.44Å; T202-P225 HydrophobicContact CG2-CG 4.48Å
203	A	93.2	Very high	93.3	Very high	16 Å²	16	40.9 Å²	40.9	13%	0.132	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-25.3	170.4	0	0	0	0	0	113.2	Y146 W158 V181 L206 N207	Y146-A203 HydrophobicContact CE1-CB 4.09Å; Y146-A203 HydrophobicContact CE2-CB 4.19Å; Y146-A203 WeakPolarHBondContact OH-CB 3.14Å; Y146-A203 PolarHBondContact OH-N 3.15Å; Y146-A203 VanDerWaalsContact OH-N 3.11Å; W158-A203 HydrophobicContact CH2-CB 3.28Å; W158-A203 HydrophobicContact CZ2-CB 4.16Å; W158-A203 HydrophobicContact CZ3-CB 3.64Å; V181-A203 HydrophobicContact CG1-CB 4.29Å; A203-L206 PolarHBondContact O-N 3.47Å; A203-N207 WeakPolarHBondContact O-CB 3.24Å; A203-N207 PolarHBondContact O-N 3.16Å
204	Q	91.5	Very high	93.1	Very high	59 Å²	59	47.4 Å²	47.4	28%	0.276	25%	0.251	S	S	.	.	H	α-helix	trans	-65.9	-42	175.3	-72.9	-62.4	-40.8	0	0	112.1	T202 L206 N207 D208	T202-Q204 PolarHBondContact O-N 3.41Å; T202-Q204 PolarHBondContact OG1-N 3.16Å; Q204-L206 VanDerWaalsContact C-N 3.3Å; Q204-L206 PolarHBondContact O-N 2.73Å; Q204-N207 PolarHBondContact O-N 3.3Å; Q204-D208 WeakPolarHBondContact O-CB 3.49Å; Q204-D208 PolarHBondContact O-N 2.93Å
205	W	95	Very high	93.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-44.9	174.9	171.2	79.7	0	0	0	111.3	F141 H179 V201 T202 D208 C209 L215 A216 P218 H223 W358	F141-W205 HydrophobicContact CE1-CH2 4.33Å; F141-W205 AromaticContact CE1-CZ3 3.77Å; F141-W205 HydrophobicContact CE1-CZ3 3.77Å; F141-W205 HydrophobicContact CZ-CH2 4.34Å; F141-W205 HydrophobicContact CZ-CZ3 4.1Å; H179-W205 AromaticContact CD2-CH2 3.89Å; H179-W205 AromaticContact NE2-CH2 3.99Å; V201-W205 HydrophobicContact CB-CB 4.05Å; V201-W205 HydrophobicContact CB-CD2 3.83Å; V201-W205 HydrophobicContact CB-CE3 3.73Å; V201-W205 HydrophobicContact CB-CG 3.97Å; V201-W205 HydrophobicContact CG1-CB 4.47Å; V201-W205 HydrophobicContact CG1-CD2 3.78Å; V201-W205 HydrophobicContact CG1-CE3 4.04Å; V201-W205 HydrophobicContact CG1-CG 3.95Å; V201-W205 HydrophobicContact CG2-CD2 4.02Å; V201-W205 HydrophobicContact CG2-CE3 3.39Å; V201-W205 HydrophobicContact CG2-CZ3 3.84Å; T202-W205 WeakPolarHBondContact O-CB 3.38Å; T202-W205 PolarHBondContact O-N 2.62Å; T202-W205 PolarHBondContact OG1-N 3.5Å; W205-D208 PolarHBondContact O-N 3.07Å; W205-C209 HydrophobicContact CZ2-CB 4.44Å; W205-C209 WeakPolarHBondContact CZ2-SG 3.33Å; W205-C209 PolarHBondContact NE1-SG 3.13Å; W205-C209 VanDerWaalsContact NE1-SG 3.4Å; W205-C209 WeakPolarHBondContact O-CB 3.29Å; W205-C209 PolarHBondContact O-N 3.45Å; W205-C209 PolarHBondContact O-SG 2.97Å; W205-L215 HydrophobicContact CH2-CD1 3.45Å; W205-L215 VanDerWaalsContact CH2-CD1 3.45Å; W205-L215 HydrophobicContact CZ2-CD1 3.57Å; W205-A216 PolarHBondContact NE1-O 2.76Å; W205-P218 HydrophobicContact CG-CG 4.39Å; W205-H223 HydrophobicContact CB-CB 3.68Å; W205-H223 AromaticContact CD1-CG 3.92Å; W205-H223 AromaticContact CD1-ND1 3.58Å; W205-H223 HydrophobicContact CG-CB 4.2Å; W205-W358 AromaticContact CE2-CH2 3.72Å; W205-W358 HydrophobicContact CH2-CH2 4.09Å; W205-W358 AromaticContact CZ2-CH2 3.32Å; W205-W358 HydrophobicContact CZ2-CH2 3.32Å; W205-W358 HydrophobicContact CZ2-CZ2 4.16Å; W205-W358 HydrophobicContact CZ2-CZ3 4.16Å; W205-W358 AromaticContact NE1-CH2 3.96Å
206	L	95.7	Very high	93	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-46.2	179.5	179.3	61.9	0	0	0	110.3	L136 F141 I162 T202 A203 Q204 D208 C209 L210	L136-L206 HydrophobicContact CD1-CD1 3.76Å; L136-L206 HydrophobicContact CD2-CD1 4.17Å; F141-L206 HydrophobicContact CE1-CD1 4.26Å; F141-L206 HydrophobicContact CZ-CD1 4.01Å; I162-L206 HydrophobicContact CD1-CD2 3.82Å; I162-L206 HydrophobicContact CG1-CD2 3.89Å; T202-L206 PolarHBondContact O-N 3.15Å; A203-L206 PolarHBondContact O-N 3.47Å; Q204-L206 VanDerWaalsContact C-N 3.3Å; Q204-L206 PolarHBondContact O-N 2.73Å; L206-D208 PolarHBondContact O-N 3.36Å; L206-C209 PolarHBondContact O-N 2.9Å; L206-L210 HydrophobicContact CD1-CG 4.44Å; L206-L210 HydrophobicContact CG-CD1 4.3Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.45Å; L206-L210 PolarHBondContact O-N 3.49Å
207	N	93.1	Very high	92.9	Very high	92 Å²	92	36.6 Å²	36.6	49%	0.492	21%	0.206	S	C	.	.	H	α-helix	trans	-59.6	-44.6	177	-174.1	72.4	0	0	0	112.4	A203 Q204 L210 A211	A203-N207 WeakPolarHBondContact O-CB 3.24Å; A203-N207 PolarHBondContact O-N 3.16Å; Q204-N207 PolarHBondContact O-N 3.3Å; N207-L210 PolarHBondContact O-N 3.48Å; N207-A211 WeakPolarHBondContact O-CB 3.45Å; N207-A211 PolarHBondContact O-N 3.4Å
208	D	92.2	Very high	92.8	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.064	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-35.8	177.9	-93.4	1.5	0	0	0	112	Q204 W205 L206 A211 C212 W219 K220 H223 R247	Q204-D208 WeakPolarHBondContact O-CB 3.49Å; Q204-D208 PolarHBondContact O-N 2.93Å; W205-D208 PolarHBondContact O-N 3.07Å; L206-D208 PolarHBondContact O-N 3.36Å; D208-A211 PolarHBondContact O-N 3.14Å; D208-C212 PolarHBondContact O-N 3.37Å; D208-C212 PolarHBondContact O-SG 2.9Å; D208-W219 HydrophobicContact CB-CH2 3.94Å; D208-W219 HydrophobicContact CB-CZ2 3.8Å; D208-K220 IonicContact OD2-NZ 3.98Å; D208-K220 PolarHBondContact OD2-NZ 3.03Å; D208-H223 IonicContact OD2-CE1 3.27Å; D208-H223 IonicContact OD2-NE2 2.88Å; D208-H223 PolarHBondContact OD2-NE2 2.99Å; D208-H223 VanDerWaalsContact OD2-NE2 3.09Å; D208-R247 IonicContact OD1-NH2 3.61Å; D208-R247 PolarHBondContact OD1-NH2 3.3Å; D208-R247 VanDerWaalsContact OD1-NH2 3.15Å; D208-R247 IonicContact OD2-NH2 3.08Å
209	C	94	Very high	92.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.1	-39	173.7	-71.5	0	0	0	0	112.7	W205 L206 C212 K213 K214	W205-C209 HydrophobicContact CZ2-CB 4.44Å; W205-C209 WeakPolarHBondContact CZ2-SG 3.33Å; W205-C209 PolarHBondContact NE1-SG 3.13Å; W205-C209 VanDerWaalsContact NE1-SG 3.4Å; W205-C209 WeakPolarHBondContact O-CB 3.29Å; W205-C209 PolarHBondContact O-N 3.45Å; W205-C209 PolarHBondContact O-SG 2.97Å; L206-C209 PolarHBondContact O-N 2.9Å; C209-C212 PolarHBondContact O-SG 3.38Å; C209-K213 WeakPolarHBondContact O-CA 3.41Å; C209-K213 PolarHBondContact O-N 3.49Å; C209-K214 PolarHBondContact O-N 3.09Å
210	L	93.6	Very high	92.2	Very high	27 Å²	27	34.1 Å²	34.1	14%	0.141	18%	0.184	C	C	.	.	H	α-helix	trans	-67.2	-43.3	174.5	-69.8	177.6	0	0	0	111.2	L136 V161 H165 L206 N207 C212 K213	L136-L210 HydrophobicContact CD1-CD2 3.76Å; L136-L210 HydrophobicContact CG-CD2 4.1Å; V161-L210 HydrophobicContact CG1-CD1 3.75Å; H165-L210 HydrophobicContact CB-CD2 3.63Å; L206-L210 HydrophobicContact CD1-CG 4.44Å; L206-L210 HydrophobicContact CG-CD1 4.3Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.45Å; L206-L210 PolarHBondContact O-N 3.49Å; N207-L210 PolarHBondContact O-N 3.48Å; L210-C212 PolarHBondContact O-N 3.1Å; L210-K213 PolarHBondContact O-N 3.43Å; L210-K213 VanDerWaalsContact O-N 3.13Å
211	A	89.3	Confident	91.8	Very high	48 Å²	48	33.8 Å²	33.8	40%	0.397	18%	0.181	S	C	.	.	H	α-helix	trans	-63.2	-41.6	178	0	0	0	0	0	112.3	N207 D208 K213 M700	N207-A211 WeakPolarHBondContact O-CB 3.45Å; N207-A211 PolarHBondContact O-N 3.4Å; D208-A211 PolarHBondContact O-N 3.14Å; A211-K213 VanDerWaalsContact C-N 3.27Å; A211-M700 HydrophobicContact CB-SD 4.3Å
212	C	88.9	Confident	91.5	Very high	65 Å²	65	34.1 Å²	34.1	44%	0.439	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.7	175.6	74.9	0	0	0	0	113.7	D208 C209 L210 K214	D208-C212 PolarHBondContact O-N 3.37Å; D208-C212 PolarHBondContact O-SG 2.9Å; C209-C212 PolarHBondContact O-SG 3.38Å; L210-C212 PolarHBondContact O-N 3.1Å; C212-K214 PolarHBondContact O-N 3.46Å; C212-K214 PolarHBondContact SG-O 3.34Å; C212-K214 VanDerWaalsContact SG-O 3.39Å
213	K	90.2	Very high	91.4	Very high	100 Å²	100	33.6 Å²	33.6	44%	0.435	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	37.3	-176.9	-64.3	-169	179.5	-175.7	0	113.4	P132 E133 C135 C209 L210 A211	P132-K213 HydrophobicContact CB-CB 3.73Å; P132-K213 HydrophobicContact CB-CD 3.52Å; P132-K213 HydrophobicContact CB-CG 4.29Å; P132-K213 WeakPolarHBondContact O-CB 3.33Å; E133-K213 IonicContact OE1-NZ 3.14Å; E133-K213 PolarHBondContact OE1-NZ 2.79Å; C135-K213 VanDerWaalsContact CB-O 3.29Å; C135-K213 WeakPolarHBondContact CB-O 3.41Å; C209-K213 WeakPolarHBondContact O-CA 3.41Å; C209-K213 PolarHBondContact O-N 3.49Å; L210-K213 PolarHBondContact O-N 3.43Å; L210-K213 VanDerWaalsContact O-N 3.13Å; A211-K213 VanDerWaalsContact C-N 3.27Å
214	K	90.9	Very high	91.4	Very high	136 Å²	136	33 Å²	33	59%	0.591	18%	0.175	S	C	*	.	S	Bend	trans	-148.7	129	-176.6	-175.8	176.4	-179.4	176.6	0	110.9	C209 C212 A216	C209-K214 PolarHBondContact O-N 3.09Å; C212-K214 PolarHBondContact O-N 3.46Å; C212-K214 PolarHBondContact SG-O 3.34Å; C212-K214 VanDerWaalsContact SG-O 3.39Å; K214-A216 PolarHBondContact O-N 2.91Å; K214-A216 VanDerWaalsContact O-N 3.16Å
215	L	93.1	Very high	91.4	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	16%	0.162	C	C	.	.			trans	-69.5	111.5	167.4	-168.6	68.3	0	0	0	108.9	G118 H119 C135 L136 C139 W205 V362	G118-L215 WeakPolarHBondContact CA-O 3.45Å; H119-L215 VanDerWaalsContact CE1-CB 3.45Å; H119-L215 WeakPolarHBondContact CE1-CB 3.24Å; H119-L215 VanDerWaalsContact CE1-CD2 3.43Å; H119-L215 WeakPolarHBondContact CE1-CD2 3.48Å; H119-L215 WeakPolarHBondContact ND1-CB 3.4Å; C135-L215 WeakPolarHBondContact O-CB 3.49Å; L136-L215 HydrophobicContact CD2-CD1 4.17Å; C139-L215 VanDerWaalsContact SG-CD2 3.57Å; W205-L215 HydrophobicContact CH2-CD1 3.45Å; W205-L215 VanDerWaalsContact CH2-CD1 3.45Å; W205-L215 HydrophobicContact CZ2-CD1 3.57Å; L215-V362 HydrophobicContact CD2-CB 4.17Å; L215-V362 HydrophobicContact CD2-CG2 3.99Å
216	A	90.5	Very high	91.2	Very high	18 Å²	18	30.7 Å²	30.7	15%	0.149	17%	0.165	C	C	.	.			trans	-130.8	145.6	179.4	0	0	0	0	0	111	W205 K214 W219	W205-A216 PolarHBondContact NE1-O 2.76Å; K214-A216 PolarHBondContact O-N 2.91Å; K214-A216 VanDerWaalsContact O-N 3.16Å; A216-W219 HydrophobicContact CB-CE3 4.12Å; A216-W219 HydrophobicContact CB-CH2 4.45Å; A216-W219 HydrophobicContact CB-CZ3 3.65Å
217	P	91.1	Very high	90.9	Very high	34 Å²	34	31 Å²	31	22%	0.221	17%	0.169	C	C	.	.			trans	-62.5	140.3	176.3	27.3	-34.5	0	0	0	110.5	F116 W219 L355 W358	F116-P217 HydrophobicContact CB-CB 4.06Å; F116-P217 HydrophobicContact CB-CG 4.03Å; P217-W219 VanDerWaalsContact O-CE3 3.25Å; P217-W219 PolarHBondContact O-N 3.03Å; P217-L355 HydrophobicContact CB-CD2 4.25Å; P217-W358 HydrophobicContact CB-CB 4.31Å; P217-W358 HydrophobicContact CB-CD2 3.85Å; P217-W358 HydrophobicContact CB-CE3 3.63Å; P217-W358 HydrophobicContact CB-CG 4.15Å; P217-W358 HydrophobicContact CB-CZ3 4.32Å
218	P	91	Very high	90.7	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.026	15%	0.149	C	C	.	.			trans	-43.5	123.5	-179.8	-34.9	37.4	0	0	0	114.8	V201 W205 H223 F224 W358	V201-P218 HydrophobicContact CG1-CG 3.9Å; W205-P218 HydrophobicContact CG-CG 4.39Å; P218-H223 HydrophobicContact CB-CB 3.67Å; P218-H223 HydrophobicContact CG-CB 4.34Å; P218-F224 HydrophobicContact CB-CD2 4.1Å; P218-F224 HydrophobicContact CB-CE1 3.89Å; P218-F224 HydrophobicContact CB-CE2 3.35Å; P218-F224 HydrophobicContact CB-CZ 3.29Å; P218-F224 HydrophobicContact CG-CE1 4.13Å; P218-F224 HydrophobicContact CG-CE2 4.41Å; P218-F224 HydrophobicContact CG-CZ 4.01Å; P218-W358 HydrophobicContact CG-CZ2 3.92Å
219	W	87.7	Confident	90.4	Very high	52 Å²	52	28.3 Å²	28.3	20%	0.197	16%	0.159	C	C	.	.			trans	-117	0.6	-178	62.7	95.2	0	0	0	114.4	D208 A216 P217 H223 R337 I338	D208-W219 HydrophobicContact CB-CH2 3.94Å; D208-W219 HydrophobicContact CB-CZ2 3.8Å; A216-W219 HydrophobicContact CB-CE3 4.12Å; A216-W219 HydrophobicContact CB-CH2 4.45Å; A216-W219 HydrophobicContact CB-CZ3 3.65Å; P217-W219 VanDerWaalsContact O-CE3 3.25Å; P217-W219 PolarHBondContact O-N 3.03Å; W219-H223 AromaticContact CD2-CE1 3.63Å; W219-H223 AromaticContact CD2-ND1 3.89Å; W219-H223 AromaticContact CE2-CE1 3.5Å; W219-H223 VanDerWaalsContact CE2-CE1 3.5Å; W219-H223 AromaticContact CE3-CE1 3.83Å; W219-H223 AromaticContact CE3-ND1 3.84Å; W219-H223 AromaticContact CH2-CE1 3.84Å; W219-H223 AromaticContact CZ2-CE1 3.64Å; W219-H223 AromaticContact CZ3-CE1 3.92Å; W219-H223 PolarHBondContact N-ND1 3.1Å; W219-R337 WeakPolarHBondContact O-CA 3.4Å; W219-I338 PolarHBondContact O-N 3.38Å
220	K	88.6	Confident	89.7	Confident	16 Å²	16	35.2 Å²	35.2	7%	0.07	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-128.2	151.8	177.1	-61.4	177.8	-177.4	162.8	0	110.3	D208 V222 H223 F224 D334 F336	D208-K220 IonicContact OD2-NZ 3.98Å; D208-K220 PolarHBondContact OD2-NZ 3.03Å; K220-V222 VanDerWaalsContact C-N 3.3Å; K220-V222 HydrophobicContact CB-CG2 4.07Å; K220-V222 PolarHBondContact O-N 3.36Å; K220-H223 VanDerWaalsContact O-CB 3.27Å; K220-H223 WeakPolarHBondContact O-CB 3.44Å; K220-H223 PolarHBondContact O-N 2.97Å; K220-F224 WeakPolarHBondContact O-CD2 3.44Å; K220-D334 WeakPolarHBondContact CE-OD2 3.27Å; K220-F336 HydrophobicContact CD-CB 4.32Å; K220-F336 HydrophobicContact CG-CB 4.13Å
221	A	87.1	Confident	89.4	Confident	3 Å²	3	40.4 Å²	40.4	3%	0.025	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57.7	-43.2	178.4	0	0	0	0	0	112.6	H223 F224 M255 T301 F304 F305 I338	A221-H223 PolarHBondContact O-N 2.81Å; A221-H223 VanDerWaalsContact O-N 3.12Å; A221-F224 PolarHBondContact O-N 2.97Å; A221-M255 HydrophobicContact CB-CE 3.93Å; A221-T301 HydrophobicContact CB-CG2 4.08Å; A221-F304 HydrophobicContact CB-CD1 4.29Å; A221-F304 VanDerWaalsContact O-CE1 3.29Å; A221-F304 WeakPolarHBondContact O-CE1 3.37Å; A221-F305 HydrophobicContact CB-CE1 4.15Å; A221-F305 HydrophobicContact CB-CE2 4.28Å; A221-F305 HydrophobicContact CB-CZ 3.69Å; A221-I338 HydrophobicContact CB-CD1 4.24Å
222	V	90.7	Very high	89.5	Confident	8 Å²	8	41.6 Å²	41.6	5%	0.048	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-65.2	-12	178.3	-67.4	0	0	0	0	114.6	T202 K220 F224 C251 M255	T202-V222 WeakPolarHBondContact CB-O 3.34Å; T202-V222 VanDerWaalsContact CG2-O 3.26Å; T202-V222 WeakPolarHBondContact CG2-O 3.18Å; T202-V222 PolarHBondContact OG1-O 2.96Å; K220-V222 VanDerWaalsContact C-N 3.3Å; K220-V222 HydrophobicContact CB-CG2 4.07Å; K220-V222 PolarHBondContact O-N 3.36Å; V222-F224 PolarHBondContact O-N 3.34Å; V222-C251 WeakPolarHBondContact CG1-SG 3.48Å; V222-C251 WeakPolarHBondContact CG2-SG 3.44Å; V222-M255 HydrophobicContact CG1-CG 3.29Å; V222-M255 HydrophobicContact CG1-SD 3.93Å
223	H	92.7	Very high	89.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-73	-19.5	173.2	-69.2	-171.5	0	0	0	112	V201 T202 W205 D208 P218 W219 K220 A221	V201-H223 WeakPolarHBondContact CA-O 3.3Å; T202-H223 PolarHBondContact N-O 2.78Å; T202-H223 PolarHBondContact OG1-O 2.95Å; W205-H223 HydrophobicContact CB-CB 3.68Å; W205-H223 AromaticContact CD1-CG 3.92Å; W205-H223 AromaticContact CD1-ND1 3.58Å; W205-H223 HydrophobicContact CG-CB 4.2Å; D208-H223 IonicContact OD2-CE1 3.27Å; D208-H223 IonicContact OD2-NE2 2.88Å; D208-H223 PolarHBondContact OD2-NE2 2.99Å; D208-H223 VanDerWaalsContact OD2-NE2 3.09Å; P218-H223 HydrophobicContact CB-CB 3.67Å; P218-H223 HydrophobicContact CG-CB 4.34Å; W219-H223 AromaticContact CD2-CE1 3.63Å; W219-H223 AromaticContact CD2-ND1 3.89Å; W219-H223 AromaticContact CE2-CE1 3.5Å; W219-H223 VanDerWaalsContact CE2-CE1 3.5Å; W219-H223 AromaticContact CE3-CE1 3.83Å; W219-H223 AromaticContact CE3-ND1 3.84Å; W219-H223 AromaticContact CH2-CE1 3.84Å; W219-H223 AromaticContact CZ2-CE1 3.64Å; W219-H223 AromaticContact CZ3-CE1 3.92Å; W219-H223 PolarHBondContact N-ND1 3.1Å; K220-H223 VanDerWaalsContact O-CB 3.27Å; K220-H223 WeakPolarHBondContact O-CB 3.44Å; K220-H223 PolarHBondContact O-N 2.97Å; A221-H223 PolarHBondContact O-N 2.81Å; A221-H223 VanDerWaalsContact O-N 3.12Å
224	F	92	Very high	89.7	Confident	3 Å²	3	35.5 Å²	35.5	1%	0.013	19%	0.186	C	C	.	.	S	Bend	trans	-97	142	177	-62	-88	0	0	0	110.9	T202 P218 K220 A221 V222 F304 F305 W350 F351 R354 L355	T202-F224 VanDerWaalsContact CG2-C 3.41Å; T202-F224 WeakPolarHBondContact CG2-O 3.44Å; P218-F224 HydrophobicContact CB-CD2 4.1Å; P218-F224 HydrophobicContact CB-CE1 3.89Å; P218-F224 HydrophobicContact CB-CE2 3.35Å; P218-F224 HydrophobicContact CB-CZ 3.29Å; P218-F224 HydrophobicContact CG-CE1 4.13Å; P218-F224 HydrophobicContact CG-CE2 4.41Å; P218-F224 HydrophobicContact CG-CZ 4.01Å; K220-F224 WeakPolarHBondContact O-CD2 3.44Å; A221-F224 PolarHBondContact O-N 2.97Å; V222-F224 PolarHBondContact O-N 3.34Å; F224-F304 WeakPolarHBondContact O-CE1 3.39Å; F224-F305 HydrophobicContact CB-CE1 4.41Å; F224-F305 HydrophobicContact CD2-CE1 4.31Å; F224-W350 HydrophobicContact CB-CH2 4.06Å; F224-W350 HydrophobicContact CB-CZ3 4.49Å; F224-W350 HydrophobicContact CD1-CH2 4.5Å; F224-W350 HydrophobicContact CD1-CZ3 4.44Å; F224-W350 HydrophobicContact CG-CH2 4.31Å; F224-W350 HydrophobicContact CG-CZ3 4.3Å; F224-F351 HydrophobicContact CD2-CE2 4.23Å; F224-F351 AromaticContact CE2-CD2 3.89Å; F224-F351 HydrophobicContact CE2-CD2 3.89Å; F224-F351 AromaticContact CE2-CE2 3.22Å; F224-F351 HydrophobicContact CE2-CE2 3.22Å; F224-F351 AromaticContact CE2-CZ 3.96Å; F224-F351 HydrophobicContact CE2-CZ 3.96Å; F224-F351 AromaticContact CZ-CD2 3.89Å; F224-F351 HydrophobicContact CZ-CD2 3.89Å; F224-F351 AromaticContact CZ-CE2 3.43Å; F224-F351 HydrophobicContact CZ-CE2 3.43Å; F224-F351 VanDerWaalsContact CZ-CE2 3.43Å; F224-F351 AromaticContact CZ-CZ 3.95Å; F224-F351 HydrophobicContact CZ-CZ 3.95Å; F224-R354 HydrophobicContact CD1-CB 4Å; F224-R354 HydrophobicContact CE1-CB 3.73Å; F224-L355 HydrophobicContact CE1-CD2 4.29Å; F224-L355 HydrophobicContact CZ-CD2 3.96Å; F224-L355 HydrophobicContact CZ-CG 4.29Å
225	P	92.2	Very high	89.6	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-60.9	148.1	172.9	-17.2	29.3	0	0	0	110.7	C182 L185 C200 T202	C182-P225 WeakPolarHBondContact SG-CG 3.34Å; L185-P225 HydrophobicContact CD2-CB 3.8Å; L185-P225 HydrophobicContact CD2-CG 3.92Å; L185-P225 HydrophobicContact CG-CB 4.02Å; C200-P225 HydrophobicContact CB-CG 4.38Å; C200-P225 WeakPolarHBondContact O-CD 3.47Å; T202-P225 HydrophobicContact CG2-CG 4.48Å
226	S	90.3	Very high	89.3	Confident	9 Å²	9	37.7 Å²	37.7	6%	0.063	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-66.8	149.9	-178	72.7	0	0	0	0	111.8	E183 L185 Y228	E183-S226 PolarHBondContact O-N 2.85Å; E183-S226 PolarHBondContact O-OG 3.13Å; E183-S226 VanDerWaalsContact O-OG 3.05Å; L185-S226 PolarHBondContact N-O 3.22Å; S226-Y228 PolarHBondContact O-N 3.31Å; S226-Y228 VanDerWaalsContact O-N 3.13Å; S226-Y228 PolarHBondContact OG-O 2.88Å; S226-Y228 VanDerWaalsContact OG-O 3.14Å
227	A	89.1	Confident	89.4	Confident	16 Å²	16	42.6 Å²	42.6	13%	0.132	21%	0.214	C	C	.	.	S	Bend	trans	-68.4	-7.7	176.1	0	0	0	0	0	113.9	R186	R186-A227 PolarHBondContact NE-O 2.8Å
228	Y	89.4	Confident	89.5	Confident	21 Å²	21	41.3 Å²	41.3	8%	0.082	21%	0.205	C	C	.	.			trans	-113.1	140.3	-167	-50.7	-69.2	0	0	0	111.4	S184 S226 P233 V259 L303 G306 T308	S184-Y228 WeakPolarHBondContact CB-O 3.4Å; S184-Y228 PolarHBondContact OG-O 3.45Å; S226-Y228 PolarHBondContact O-N 3.31Å; S226-Y228 VanDerWaalsContact O-N 3.13Å; S226-Y228 PolarHBondContact OG-O 2.88Å; S226-Y228 VanDerWaalsContact OG-O 3.14Å; Y228-P233 HydrophobicContact CD1-CG 4.37Å; Y228-P233 HydrophobicContact CE1-CB 4.47Å; Y228-P233 HydrophobicContact CE1-CG 3.78Å; Y228-P233 HydrophobicContact CE2-CG 4.01Å; Y228-V259 HydrophobicContact CE2-CG1 4.06Å; Y228-L303 VanDerWaalsContact CE2-O 3.3Å; Y228-L303 WeakPolarHBondContact CE2-O 3.33Å; Y228-L303 PolarHBondContact OH-O 3.09Å; Y228-G306 VanDerWaalsContact OH-CA 3.27Å; Y228-G306 WeakPolarHBondContact OH-CA 3.1Å; Y228-T308 HydrophobicContact CE1-CG2 4.49Å
229	G	85	Confident	89.8	Confident	27 Å²	27	41.3 Å²	41.3	28%	0.278	21%	0.205	S	C	.	.	S	Bend	trans	-95.5	-122.4	164.4	0	0	0	0	0	109.4	K232	G229-K232 WeakPolarHBondContact O-CG 3.44Å
230	E	80.5	Confident	90.1	Very high	146 Å²	146	38.9 Å²	38.9	68%	0.682	20%	0.195	S	C	*	.	S	Bend	trans	-73.4	-27.7	176.8	-60.5	-174.2	171.7	0	0	113.1	K232 K235	E230-K232 PolarHBondContact O-N 3.4Å; E230-K232 VanDerWaalsContact O-N 3.13Å; E230-K235 WeakPolarHBondContact O-CE 3.47Å; E230-K235 PolarHBondContact O-NZ 3.28Å
231	N	86.4	Confident	90.5	Very high	135 Å²	135	38.1 Å²	38.1	72%	0.722	19%	0.192	S	C	*	.			trans	-87.1	78.5	178.8	-71.2	-20.1	0	0	0	111.7
232	K	91.1	Very high	90.8	Very high	73 Å²	73	38.4 Å²	38.4	32%	0.317	19%	0.194	S	C	.	.			trans	-87.3	140.2	177.7	-59.6	-176.4	172	-174.1	0	112.1	G229 E230 K235 M257 A258 V259 G260	G229-K232 WeakPolarHBondContact O-CG 3.44Å; E230-K232 PolarHBondContact O-N 3.4Å; E230-K232 VanDerWaalsContact O-N 3.13Å; K232-K235 HydrophobicContact CB-CG 4.28Å; K232-K235 WeakPolarHBondContact O-CG 3.49Å; K232-M257 PolarHBondContact NZ-O 3.41Å; K232-A258 VanDerWaalsContact CD-O 3.32Å; K232-A258 WeakPolarHBondContact CD-O 3.34Å; K232-A258 WeakPolarHBondContact CE-O 3.35Å; K232-V259 WeakPolarHBondContact CB-O 3.43Å; K232-G260 VanDerWaalsContact CD-CA 3.47Å
233	P	92.1	Very high	90.9	Very high	37 Å²	37	40.1 Å²	40.1	24%	0.24	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-26.3	-169.9	31.5	-39.9	0	0	0	114.5	Y228 V259 L303 T308 M311	Y228-P233 HydrophobicContact CD1-CG 4.37Å; Y228-P233 HydrophobicContact CE1-CB 4.47Å; Y228-P233 HydrophobicContact CE1-CG 3.78Å; Y228-P233 HydrophobicContact CE2-CG 4.01Å; P233-V259 VanDerWaalsContact CD-O 3.26Å; P233-V259 WeakPolarHBondContact CD-O 3.41Å; P233-V259 HydrophobicContact CG-CB 4.29Å; P233-L303 HydrophobicContact CB-CD1 4.38Å; P233-L303 HydrophobicContact CG-CD1 3.95Å; P233-L303 HydrophobicContact CG-CG 4.42Å; P233-T308 HydrophobicContact CB-CG2 4.22Å; P233-M311 HydrophobicContact CB-SD 3.79Å
234	C	93.2	Very high	90.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	28.6	-176.8	-69.8	0	0	0	0	113.3	N236 R237 F239 V259 G260 A261 L303 M311	C234-N236 PolarHBondContact O-N 2.91Å; C234-R237 HydrophobicContact CB-CB 4.2Å; C234-R237 HydrophobicContact CB-CG 4.18Å; C234-R237 WeakPolarHBondContact O-CB 3.5Å; C234-R237 PolarHBondContact O-N 3.23Å; C234-F239 HydrophobicContact CB-CE2 4.35Å; C234-F239 HydrophobicContact CB-CZ 4.06Å; C234-V259 HydrophobicContact CB-CG2 4.21Å; C234-V259 WeakPolarHBondContact CB-O 3.47Å; C234-V259 PolarHBondContact N-O 3.05Å; C234-G260 CarbonylContact C-O 3.59Å; C234-G260 CarbonylContact O-C 3.56Å; C234-G260 VanDerWaalsContact O-O 3.13Å; C234-A261 HydrophobicContact CB-CB 3.88Å; C234-A261 WeakPolarHBondContact O-CA 3.32Å; C234-A261 PolarHBondContact O-N 3.29Å; C234-L303 VanDerWaalsContact SG-CD2 3.55Å; C234-M311 VanDerWaalsContact SG-SD 3.65Å
235	K	88.7	Confident	90.6	Very high	99 Å²	99	43.6 Å²	43.6	43%	0.43	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	134.9	171.2	-74.1	177.7	-174.1	-177.5	0	109.7	E230 K232 R237 G260	E230-K235 WeakPolarHBondContact O-CE 3.47Å; E230-K235 PolarHBondContact O-NZ 3.28Å; K232-K235 HydrophobicContact CB-CG 4.28Å; K232-K235 WeakPolarHBondContact O-CG 3.49Å; K235-R237 PolarHBondContact O-N 3.01Å; K235-R237 VanDerWaalsContact O-N 3.16Å; K235-G260 WeakPolarHBondContact CA-O 3.35Å
236	N	85.2	Confident	90	Very high	89 Å²	89	49.1 Å²	49.1	48%	0.476	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	3.5	179.5	-45.9	-41.1	0	0	0	116.3	C234	C234-N236 PolarHBondContact O-N 2.91Å
237	R	93.1	Very high	89.4	Confident	120 Å²	120	55.7 Å²	55.7	45%	0.453	29%	0.288	S	S	.	.			trans	-83.8	149.7	170.2	-58.5	-68.9	-173.2	163.1	0.8	110.1	C234 K235 F239 A261 R262	C234-R237 HydrophobicContact CB-CB 4.2Å; C234-R237 HydrophobicContact CB-CG 4.18Å; C234-R237 WeakPolarHBondContact O-CB 3.5Å; C234-R237 PolarHBondContact O-N 3.23Å; K235-R237 PolarHBondContact O-N 3.01Å; K235-R237 VanDerWaalsContact O-N 3.16Å; R237-F239 HydrophobicContact CB-CD1 4.24Å; R237-F239 HydrophobicContact CB-CE1 3.54Å; R237-F239 HydrophobicContact CB-CZ 3.97Å; R237-F239 HydrophobicContact CG-CE1 4.38Å; R237-A261 HydrophobicContact CB-CB 4.31Å; R237-A261 CarbonylContact O-C 3.58Å; R237-A261 WeakPolarHBondContact O-CA 3.4Å; R237-R262 PolarHBondContact O-N 3.09Å
238	I	93.1	Very high	89.4	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.9	-176.1	-49.3	172.5	0	0	0	108.6	R262 T264 N271 H272 H579	I238-R262 WeakPolarHBondContact CA-O 3.37Å; I238-R262 HydrophobicContact CG1-CB 4.47Å; I238-R262 HydrophobicContact CG2-CB 4.48Å; I238-T264 HydrophobicContact CG2-CG2 3.57Å; I238-N271 WeakPolarHBondContact CG2-ND2 3.49Å; I238-N271 WeakPolarHBondContact O-CA 3.47Å; I238-H272 PolarHBondContact N-ND1 3.28Å; I238-H272 PolarHBondContact O-N 3.46Å; I238-H579 HydrophobicContact CD1-CB 4.04Å; I238-H579 VanDerWaalsContact CD1-CG 3.47Å
239	F	96.6	Very high	89.4	Confident	5 Å²	5	58.5 Å²	58.5	2%	0.022	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	147.3	-175.5	-60.8	-11.6	0	0	0	110.7	C234 R237 I256 V259 A261 R262 Y263 T264 H272 L273 I275 W299	C234-F239 HydrophobicContact CB-CE2 4.35Å; C234-F239 HydrophobicContact CB-CZ 4.06Å; R237-F239 HydrophobicContact CB-CD1 4.24Å; R237-F239 HydrophobicContact CB-CE1 3.54Å; R237-F239 HydrophobicContact CB-CZ 3.97Å; R237-F239 HydrophobicContact CG-CE1 4.38Å; F239-I256 HydrophobicContact CB-CD1 4.09Å; F239-I256 HydrophobicContact CB-CG1 4.48Å; F239-I256 HydrophobicContact CB-CG2 4.12Å; F239-I256 HydrophobicContact CD2-CG1 4.14Å; F239-I256 HydrophobicContact CD2-CG2 3.97Å; F239-I256 HydrophobicContact CG-CG2 4.41Å; F239-V259 HydrophobicContact CE2-CG2 4.44Å; F239-A261 HydrophobicContact CD1-CB 4.29Å; F239-A261 HydrophobicContact CD2-CB 3.51Å; F239-A261 HydrophobicContact CE1-CB 4.31Å; F239-A261 HydrophobicContact CE2-CB 3.5Å; F239-A261 HydrophobicContact CG-CB 3.92Å; F239-A261 HydrophobicContact CZ-CB 3.92Å; F239-R262 PolarHBondContact N-O 3.33Å; F239-Y263 WeakPolarHBondContact O-CA 3.48Å; F239-T264 PolarHBondContact O-N 3.04Å; F239-H272 HydrophobicContact CE1-CB 4.46Å; F239-L273 WeakPolarHBondContact CA-O 3.36Å; F239-L273 HydrophobicContact CD1-CB 3.39Å; F239-L273 HydrophobicContact CD1-CD2 4.06Å; F239-L273 HydrophobicContact CD1-CG 4.33Å; F239-L273 HydrophobicContact CD2-CD2 4.19Å; F239-L273 HydrophobicContact CE1-CB 3.58Å; F239-L273 HydrophobicContact CE1-CD2 3.83Å; F239-L273 HydrophobicContact CE1-CG 4.38Å; F239-L273 HydrophobicContact CE2-CD2 4Å; F239-L273 HydrophobicContact CG-CB 4.08Å; F239-L273 HydrophobicContact CG-CD2 4.24Å; F239-L273 HydrophobicContact CZ-CB 4.41Å; F239-L273 HydrophobicContact CZ-CD2 3.82Å; F239-I275 HydrophobicContact CD2-CD1 4.37Å; F239-W299 AromaticContact CE2-CH2 3.9Å; F239-W299 HydrophobicContact CE2-CH2 3.9Å; F239-W299 AromaticContact CE2-CZ3 3.85Å; F239-W299 HydrophobicContact CE2-CZ3 3.85Å; F239-W299 AromaticContact CZ-CH2 3.77Å; F239-W299 HydrophobicContact CZ-CH2 3.77Å; F239-W299 HydrophobicContact CZ-CZ3 4.17Å
240	S	94.9	Very high	89.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	159.2	171.2	161.1	0	0	0	0	109.3	L273 I275 K283	S240-L273 PolarHBondContact N-O 3.45Å; S240-L273 VanDerWaalsContact N-O 3.12Å; S240-I275 PolarHBondContact O-N 3.14Å; S240-K283 PolarHBondContact OG-NZ 2.86Å
241	I	96.6	Very high	90	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.9	-177.8	-60.3	164.5	0	0	0	109.8	F244 R249 L252 I256 Y263 I275 K283	I241-F244 HydrophobicContact CG2-CB 4.01Å; I241-F244 HydrophobicContact CG2-CD2 3.22Å; I241-F244 HydrophobicContact CG2-CE2 3.92Å; I241-F244 HydrophobicContact CG2-CG 3.93Å; I241-R249 HydrophobicContact CG2-CG 4.4Å; I241-L252 HydrophobicContact CD1-CB 3.34Å; I241-L252 HydrophobicContact CD1-CD1 3.93Å; I241-L252 HydrophobicContact CD1-CG 4.23Å; I241-L252 HydrophobicContact CG1-CB 4.23Å; I241-L252 HydrophobicContact CG1-CD1 4.16Å; I241-L252 HydrophobicContact CG2-CD1 3.57Å; I241-I256 HydrophobicContact CD1-CD1 3.8Å; I241-I256 HydrophobicContact CG1-CD1 3.86Å; I241-Y263 HydrophobicContact CB-CE2 4.16Å; I241-Y263 HydrophobicContact CD1-CD2 3.8Å; I241-Y263 HydrophobicContact CD1-CE2 3.45Å; I241-Y263 VanDerWaalsContact CD1-CE2 3.45Å; I241-Y263 HydrophobicContact CG1-CD2 4.15Å; I241-Y263 HydrophobicContact CG1-CE2 3.8Å; I241-I275 CarbonylContact C-O 3.53Å; I241-I275 WeakPolarHBondContact CA-O 3.41Å; I241-K283 WeakPolarHBondContact O-CD 3.42Å; I241-K283 PolarHBondContact O-NZ 2.82Å
242	S	94.8	Very high	90.3	Very high	10 Å²	10	47.5 Å²	47.5	7%	0.07	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.5	175.7	-166.9	0	0	0	0	113	F244 I275 A276 K277	S242-F244 WeakPolarHBondContact O-CD2 3.49Å; S242-F244 WeakPolarHBondContact O-CE2 3.4Å; S242-F244 PolarHBondContact O-N 3.47Å; S242-I275 PolarHBondContact N-O 2.65Å; S242-A276 WeakPolarHBondContact O-CA 3.39Å; S242-K277 PolarHBondContact O-N 3.43Å
243	G	91.5	Very high	90.3	Very high	43 Å²	43	47.8 Å²	47.8	44%	0.443	24%	0.243	S	C	.	.	S	Bend	trans	81.3	5.8	171.8	0	0	0	0	0	116.6	K277	G243-K277 WeakPolarHBondContact O-CD 3.17Å
244	F	91.9	Very high	90.2	Very high	7 Å²	7	49.1 Å²	49.1	3%	0.031	25%	0.246	C	C	.	.			trans	-99.6	146.8	178	-65.2	-90.2	0	0	0	111.6	I241 S242 E248 R249 L252 I275 K277 L297 F336	I241-F244 HydrophobicContact CG2-CB 4.01Å; I241-F244 HydrophobicContact CG2-CD2 3.22Å; I241-F244 HydrophobicContact CG2-CE2 3.92Å; I241-F244 HydrophobicContact CG2-CG 3.93Å; S242-F244 WeakPolarHBondContact O-CD2 3.49Å; S242-F244 WeakPolarHBondContact O-CE2 3.4Å; S242-F244 PolarHBondContact O-N 3.47Å; F244-E248 VanDerWaalsContact CA-OE2 3.22Å; F244-E248 WeakPolarHBondContact CA-OE2 3.28Å; F244-E248 HydrophobicContact CB-CB 3.81Å; F244-E248 HydrophobicContact CD1-CB 3.93Å; F244-E248 HydrophobicContact CD1-CG 4.47Å; F244-E248 HydrophobicContact CG-CB 4.33Å; F244-R249 HydrophobicContact CB-CG 4.1Å; F244-R249 PolarHBondContact O-NE 3.12Å; F244-R249 PolarHBondContact O-NH2 3.16Å; F244-L252 HydrophobicContact CB-CD1 4.21Å; F244-L252 HydrophobicContact CD1-CD1 3.74Å; F244-L252 HydrophobicContact CD2-CD1 3.57Å; F244-L252 HydrophobicContact CE1-CD1 3.87Å; F244-L252 HydrophobicContact CE2-CD1 3.69Å; F244-L252 HydrophobicContact CG-CD1 3.56Å; F244-L252 HydrophobicContact CZ-CD1 3.84Å; F244-I275 HydrophobicContact CE2-CG2 4.17Å; F244-I275 HydrophobicContact CZ-CG2 4.4Å; F244-K277 HydrophobicContact CD1-CB 4.1Å; F244-K277 HydrophobicContact CD1-CD 4Å; F244-K277 HydrophobicContact CD1-CG 4.23Å; F244-K277 HydrophobicContact CD2-CB 3.95Å; F244-K277 HydrophobicContact CE1-CB 3.85Å; F244-K277 HydrophobicContact CE1-CD 4.21Å; F244-K277 HydrophobicContact CE1-CG 3.96Å; F244-K277 HydrophobicContact CE2-CB 3.73Å; F244-K277 HydrophobicContact CG-CB 4.17Å; F244-K277 HydrophobicContact CG-CD 4.48Å; F244-K277 HydrophobicContact CZ-CB 3.68Å; F244-K277 HydrophobicContact CZ-CG 4.23Å; F244-L297 HydrophobicContact CZ-CB 4.48Å; F244-F336 HydrophobicContact CD1-CE2 4.33Å; F244-F336 HydrophobicContact CD1-CZ 4.28Å; F244-F336 HydrophobicContact CE1-CE2 4.44Å; F244-F336 HydrophobicContact CE1-CZ 4.27Å
245	N	86	Confident	90.2	Very high	70 Å²	70	49 Å²	49	37%	0.374	25%	0.245	S	C	.	.			trans	-75.7	178.3	175.6	71.7	35.9	0	0	0	112	R247 E248 R249	N245-R247 PolarHBondContact O-N 2.94Å; N245-R247 PolarHBondContact OD1-N 2.88Å; N245-R247 VanDerWaalsContact OD1-N 3.11Å; N245-E248 PolarHBondContact N-OE2 3.22Å; N245-E248 PolarHBondContact O-N 3.34Å; N245-E248 WeakPolarHBondContact OD1-CB 3.43Å; N245-E248 WeakPolarHBondContact OD1-CG 3.41Å; N245-E248 PolarHBondContact OD1-N 3Å; N245-R249 WeakPolarHBondContact O-CB 3.41Å; N245-R249 WeakPolarHBondContact O-CG 3.32Å; N245-R249 PolarHBondContact O-N 2.7Å
246	V	79.7	Confident	90.5	Very high	117 Å²	117	44.3 Å²	44.3	71%	0.709	23%	0.225	S	C	*	.	H	α-helix	trans	-61.3	-44.3	-174.6	-179.4	0	0	0	0	112.3	R249 S250	V246-R249 PolarHBondContact O-N 2.88Å; V246-S250 PolarHBondContact O-N 3.28Å; V246-S250 VanDerWaalsContact O-N 3.14Å
247	R	78.6	Confident	90.8	Very high	146 Å²	146	44.7 Å²	44.7	55%	0.551	23%	0.225	S	C	*	.	H	α-helix	trans	-64	-46.8	179.1	-172.8	-178.2	-179.7	-166.1	2.6	111.2	D208 N245 R249 S250 C251	D208-R247 IonicContact OD1-NH2 3.61Å; D208-R247 PolarHBondContact OD1-NH2 3.3Å; D208-R247 VanDerWaalsContact OD1-NH2 3.15Å; D208-R247 IonicContact OD2-NH2 3.08Å; N245-R247 PolarHBondContact O-N 2.94Å; N245-R247 PolarHBondContact OD1-N 2.88Å; N245-R247 VanDerWaalsContact OD1-N 3.11Å; R247-R249 VanDerWaalsContact C-N 3.34Å; R247-R249 PolarHBondContact O-N 2.97Å; R247-S250 WeakPolarHBondContact O-CB 3.23Å; R247-S250 PolarHBondContact O-N 3.42Å; R247-C251 PolarHBondContact O-N 3.36Å
248	E	89.4	Confident	90.7	Very high	16 Å²	16	39.9 Å²	39.9	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-38.7	178.2	-65.9	176.2	149.5	0	0	112.1	F244 N245 S250 C251 L252 K277 P335 F336	F244-E248 VanDerWaalsContact CA-OE2 3.22Å; F244-E248 WeakPolarHBondContact CA-OE2 3.28Å; F244-E248 HydrophobicContact CB-CB 3.81Å; F244-E248 HydrophobicContact CD1-CB 3.93Å; F244-E248 HydrophobicContact CD1-CG 4.47Å; F244-E248 HydrophobicContact CG-CB 4.33Å; N245-E248 PolarHBondContact N-OE2 3.22Å; N245-E248 PolarHBondContact O-N 3.34Å; N245-E248 WeakPolarHBondContact OD1-CB 3.43Å; N245-E248 WeakPolarHBondContact OD1-CG 3.41Å; N245-E248 PolarHBondContact OD1-N 3Å; E248-S250 VanDerWaalsContact C-N 3.34Å; E248-S250 PolarHBondContact O-N 2.79Å; E248-C251 WeakPolarHBondContact O-CB 3.47Å; E248-C251 PolarHBondContact O-N 3.12Å; E248-L252 PolarHBondContact O-N 3.36Å; E248-K277 IonicContact OE1-NZ 2.71Å; E248-K277 PolarHBondContact OE1-NZ 3.4Å; E248-K277 IonicContact OE2-NZ 3.55Å; E248-K277 PolarHBondContact OE2-NZ 2.69Å; E248-P335 WeakPolarHBondContact OE1-CD 3.07Å; E248-P335 WeakPolarHBondContact OE1-CG 3.27Å; E248-F336 HydrophobicContact CB-CE2 3.61Å; E248-F336 HydrophobicContact CB-CZ 4.07Å; E248-F336 HydrophobicContact CG-CD2 4.31Å; E248-F336 HydrophobicContact CG-CE2 3.61Å
249	R	89.6	Confident	90.7	Very high	81 Å²	81	39.5 Å²	39.5	31%	0.306	21%	0.209	S	C	.	.	H	α-helix	trans	-63.4	-38.5	175.4	-77	171.5	-171.3	-104.7	3.7	112.5	I241 F244 N245 V246 R247 L252 K253	I241-R249 HydrophobicContact CG2-CG 4.4Å; F244-R249 HydrophobicContact CB-CG 4.1Å; F244-R249 PolarHBondContact O-NE 3.12Å; F244-R249 PolarHBondContact O-NH2 3.16Å; N245-R249 WeakPolarHBondContact O-CB 3.41Å; N245-R249 WeakPolarHBondContact O-CG 3.32Å; N245-R249 PolarHBondContact O-N 2.7Å; V246-R249 PolarHBondContact O-N 2.88Å; R247-R249 VanDerWaalsContact C-N 3.34Å; R247-R249 PolarHBondContact O-N 2.97Å; R249-L252 PolarHBondContact O-N 2.8Å; R249-K253 VanDerWaalsContact O-CB 3.26Å; R249-K253 WeakPolarHBondContact O-CB 3.31Å; R249-K253 PolarHBondContact O-N 3.44Å
250	S	86.6	Confident	90.5	Very high	60 Å²	60	40.1 Å²	40.1	42%	0.42	22%	0.216	S	C	.	.	H	α-helix	trans	-61.4	-47.3	176.3	-170.4	0	0	0	0	110.9	V246 R247 E248 K253 Q254	V246-S250 PolarHBondContact O-N 3.28Å; V246-S250 VanDerWaalsContact O-N 3.14Å; R247-S250 WeakPolarHBondContact O-CB 3.23Å; R247-S250 PolarHBondContact O-N 3.42Å; E248-S250 VanDerWaalsContact C-N 3.34Å; E248-S250 PolarHBondContact O-N 2.79Å; S250-K253 PolarHBondContact O-N 2.87Å; S250-Q254 WeakPolarHBondContact O-CG 3.11Å; S250-Q254 PolarHBondContact O-N 2.9Å; S250-Q254 VanDerWaalsContact O-N 3.12Å
251	C	90.2	Very high	90.5	Very high	16 Å²	16	40.4 Å²	40.4	11%	0.108	22%	0.218	C	C	.	.	H	α-helix	trans	-57.5	-51.8	175.5	-176.6	0	0	0	0	111.9	V222 R247 E248 K253 Q254 M255 F336	V222-C251 WeakPolarHBondContact CG1-SG 3.48Å; V222-C251 WeakPolarHBondContact CG2-SG 3.44Å; R247-C251 PolarHBondContact O-N 3.36Å; E248-C251 WeakPolarHBondContact O-CB 3.47Å; E248-C251 PolarHBondContact O-N 3.12Å; C251-K253 PolarHBondContact O-N 3.2Å; C251-Q254 WeakPolarHBondContact O-CB 3.41Å; C251-Q254 PolarHBondContact O-N 2.7Å; C251-M255 WeakPolarHBondContact O-CG 3.49Å; C251-M255 PolarHBondContact O-N 3.38Å; C251-F336 HydrophobicContact CB-CD1 4.41Å; C251-F336 HydrophobicContact CB-CE1 4.05Å; C251-F336 HydrophobicContact CB-CZ 4.27Å; C251-F336 WeakPolarHBondContact SG-CD1 3.35Å; C251-F336 VanDerWaalsContact SG-CE1 3.51Å
252	L	93.9	Very high	90.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.6	-41.9	177.8	-81.4	165.7	0	0	0	112.8	I241 F244 E248 R249 Q254 M255 I256 I275 L297 L300 F336	I241-L252 HydrophobicContact CD1-CB 3.34Å; I241-L252 HydrophobicContact CD1-CD1 3.93Å; I241-L252 HydrophobicContact CD1-CG 4.23Å; I241-L252 HydrophobicContact CG1-CB 4.23Å; I241-L252 HydrophobicContact CG1-CD1 4.16Å; I241-L252 HydrophobicContact CG2-CD1 3.57Å; F244-L252 HydrophobicContact CB-CD1 4.21Å; F244-L252 HydrophobicContact CD1-CD1 3.74Å; F244-L252 HydrophobicContact CD2-CD1 3.57Å; F244-L252 HydrophobicContact CE1-CD1 3.87Å; F244-L252 HydrophobicContact CE2-CD1 3.69Å; F244-L252 HydrophobicContact CG-CD1 3.56Å; F244-L252 HydrophobicContact CZ-CD1 3.84Å; E248-L252 PolarHBondContact O-N 3.36Å; R249-L252 PolarHBondContact O-N 2.8Å; L252-Q254 VanDerWaalsContact C-N 3.26Å; L252-Q254 PolarHBondContact O-N 3.4Å; L252-M255 PolarHBondContact O-N 3.37Å; L252-M255 VanDerWaalsContact O-N 3.15Å; L252-I256 WeakPolarHBondContact O-CB 3.33Å; L252-I256 WeakPolarHBondContact O-CG1 3.33Å; L252-I256 PolarHBondContact O-N 2.86Å; L252-I275 HydrophobicContact CD2-CG2 4.14Å; L252-L297 HydrophobicContact CD2-CD1 3.54Å; L252-L297 HydrophobicContact CG-CD1 4.5Å; L252-L300 HydrophobicContact CD2-CD2 3.51Å; L252-F336 HydrophobicContact CD1-CZ 4.06Å; L252-F336 HydrophobicContact CD2-CE1 4.15Å; L252-F336 HydrophobicContact CD2-CZ 4.35Å; L252-F336 HydrophobicContact CG-CE1 3.87Å; L252-F336 HydrophobicContact CG-CZ 3.72Å
253	K	91.1	Very high	90.1	Very high	80 Å²	80	43.5 Å²	43.5	35%	0.348	23%	0.229	S	C	.	.	H	α-helix	trans	-57.1	-43.9	177.3	-179.5	-178.2	176.3	-172.8	0	110.5	R249 S250 C251 I256 M257 Y263	R249-K253 VanDerWaalsContact O-CB 3.26Å; R249-K253 WeakPolarHBondContact O-CB 3.31Å; R249-K253 PolarHBondContact O-N 3.44Å; S250-K253 PolarHBondContact O-N 2.87Å; C251-K253 PolarHBondContact O-N 3.2Å; K253-I256 PolarHBondContact O-N 3.02Å; K253-M257 HydrophobicContact CG-SD 3.89Å; K253-M257 WeakPolarHBondContact O-CB 3.03Å; K253-M257 VanDerWaalsContact O-CG 3.22Å; K253-M257 WeakPolarHBondContact O-CG 3.22Å; K253-M257 PolarHBondContact O-N 2.85Å; K253-Y263 HydrophobicContact CB-CD1 4.42Å; K253-Y263 HydrophobicContact CD-CD1 3.95Å; K253-Y263 HydrophobicContact CD-CE1 4.31Å; K253-Y263 HydrophobicContact CG-CD1 3.88Å; K253-Y263 HydrophobicContact CG-CG 4.18Å
254	Q	89.5	Confident	89.9	Confident	64 Å²	64	41.4 Å²	41.4	30%	0.299	21%	0.208	S	C	.	.	H	α-helix	trans	-63.5	-44.1	176.1	-68.4	173	-2.1	0	0	111.9	S250 C251 L252 I256 M257 A258	S250-Q254 WeakPolarHBondContact O-CG 3.11Å; S250-Q254 PolarHBondContact O-N 2.9Å; S250-Q254 VanDerWaalsContact O-N 3.12Å; C251-Q254 WeakPolarHBondContact O-CB 3.41Å; C251-Q254 PolarHBondContact O-N 2.7Å; L252-Q254 VanDerWaalsContact C-N 3.26Å; L252-Q254 PolarHBondContact O-N 3.4Å; Q254-I256 PolarHBondContact O-N 3.31Å; Q254-M257 PolarHBondContact O-N 3.41Å; Q254-A258 VanDerWaalsContact O-CB 3.3Å; Q254-A258 WeakPolarHBondContact O-CB 3.41Å; Q254-A258 PolarHBondContact O-N 3.26Å
255	M	93.8	Very high	89.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-45.1	175.8	-65.9	175.4	77.1	0	0	112.1	A221 V222 C251 L252 M257 A258 V259 L297 L300 F304 F336	A221-M255 HydrophobicContact CB-CE 3.93Å; V222-M255 HydrophobicContact CG1-CG 3.29Å; V222-M255 HydrophobicContact CG1-SD 3.93Å; C251-M255 WeakPolarHBondContact O-CG 3.49Å; C251-M255 PolarHBondContact O-N 3.38Å; L252-M255 PolarHBondContact O-N 3.37Å; L252-M255 VanDerWaalsContact O-N 3.15Å; M255-M257 PolarHBondContact O-N 3.48Å; M255-A258 WeakPolarHBondContact O-CB 3.26Å; M255-A258 PolarHBondContact O-N 2.7Å; M255-V259 PolarHBondContact O-N 2.86Å; M255-L297 HydrophobicContact CE-CD1 4.46Å; M255-L297 HydrophobicContact SD-CD1 4.36Å; M255-L300 HydrophobicContact CB-CD2 3.5Å; M255-L300 VanDerWaalsContact CB-CD2 3.5Å; M255-L300 HydrophobicContact CB-CG 4.02Å; M255-L300 HydrophobicContact CE-CD2 4.17Å; M255-L300 HydrophobicContact CE-CG 4.04Å; M255-L300 HydrophobicContact CG-CD2 4.43Å; M255-L300 HydrophobicContact SD-CD2 4.16Å; M255-F304 HydrophobicContact CB-CD2 3.96Å; M255-F304 HydrophobicContact CB-CE2 4.37Å; M255-F304 HydrophobicContact CE-CB 4.02Å; M255-F304 HydrophobicContact CE-CD2 4.49Å; M255-F304 HydrophobicContact CE-CG 4.22Å; M255-F304 HydrophobicContact CG-CD2 3.97Å; M255-F304 HydrophobicContact CG-CE2 4.15Å; M255-F336 HydrophobicContact SD-CD1 4.41Å; M255-F336 HydrophobicContact SD-CE1 4.23Å
256	I	95.2	Very high	89.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-45.7	177.6	-68.5	171.1	0	0	0	110.6	F239 I241 L252 K253 Q254 V259 G260 A261 Y263 I275 L300	F239-I256 HydrophobicContact CB-CD1 4.09Å; F239-I256 HydrophobicContact CB-CG1 4.48Å; F239-I256 HydrophobicContact CB-CG2 4.12Å; F239-I256 HydrophobicContact CD2-CG1 4.14Å; F239-I256 HydrophobicContact CD2-CG2 3.97Å; F239-I256 HydrophobicContact CG-CG2 4.41Å; I241-I256 HydrophobicContact CD1-CD1 3.8Å; I241-I256 HydrophobicContact CG1-CD1 3.86Å; L252-I256 WeakPolarHBondContact O-CB 3.33Å; L252-I256 WeakPolarHBondContact O-CG1 3.33Å; L252-I256 PolarHBondContact O-N 2.86Å; K253-I256 PolarHBondContact O-N 3.02Å; Q254-I256 PolarHBondContact O-N 3.31Å; I256-V259 WeakPolarHBondContact O-CG2 3.34Å; I256-V259 PolarHBondContact O-N 2.62Å; I256-G260 PolarHBondContact O-N 3.27Å; I256-A261 HydrophobicContact CG2-CB 3.68Å; I256-A261 PolarHBondContact O-N 2.7Å; I256-Y263 HydrophobicContact CD1-CD2 4.1Å; I256-I275 HydrophobicContact CD1-CD1 3.83Å; I256-I275 HydrophobicContact CG1-CD1 3.99Å; I256-L300 HydrophobicContact CG1-CD1 4.4Å; I256-L300 HydrophobicContact CG1-CD2 3.97Å
257	M	90.4	Very high	90.2	Very high	97 Å²	97	38.6 Å²	38.6	48%	0.478	19%	0.192	S	C	.	.	H	α-helix	trans	-68.1	-34.1	177.8	-69.5	173.4	66.1	0	0	112.5	K232 K253 Q254 M255 G260	K232-M257 PolarHBondContact NZ-O 3.41Å; K253-M257 HydrophobicContact CG-SD 3.89Å; K253-M257 WeakPolarHBondContact O-CB 3.03Å; K253-M257 VanDerWaalsContact O-CG 3.22Å; K253-M257 WeakPolarHBondContact O-CG 3.22Å; K253-M257 PolarHBondContact O-N 2.85Å; Q254-M257 PolarHBondContact O-N 3.41Å; M255-M257 PolarHBondContact O-N 3.48Å; M257-G260 PolarHBondContact O-N 3.2Å
258	A	90.4	Very high	90.6	Very high	18 Å²	18	32.8 Å²	32.8	15%	0.149	17%	0.174	C	C	.	.	H	α-helix	trans	-66.2	-39.5	176.5	0	0	0	0	0	112.1	K232 Q254 M255 G260 F304	K232-A258 VanDerWaalsContact CD-O 3.32Å; K232-A258 WeakPolarHBondContact CD-O 3.34Å; K232-A258 WeakPolarHBondContact CE-O 3.35Å; Q254-A258 VanDerWaalsContact O-CB 3.3Å; Q254-A258 WeakPolarHBondContact O-CB 3.41Å; Q254-A258 PolarHBondContact O-N 3.26Å; M255-A258 WeakPolarHBondContact O-CB 3.26Å; M255-A258 PolarHBondContact O-N 2.7Å; A258-G260 PolarHBondContact O-N 3.15Å; A258-F304 HydrophobicContact CB-CD2 3.94Å; A258-F304 HydrophobicContact CB-CE2 3.45Å; A258-F304 VanDerWaalsContact CB-CE2 3.45Å; A258-F304 HydrophobicContact CB-CZ 4.48Å
259	V	94	Very high	90.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-3.7	174.1	-55.3	0	0	0	0	113.4	Y228 K232 P233 C234 F239 M255 I256 A261 L300 L303 F304	Y228-V259 HydrophobicContact CE2-CG1 4.06Å; K232-V259 WeakPolarHBondContact CB-O 3.43Å; P233-V259 VanDerWaalsContact CD-O 3.26Å; P233-V259 WeakPolarHBondContact CD-O 3.41Å; P233-V259 HydrophobicContact CG-CB 4.29Å; C234-V259 HydrophobicContact CB-CG2 4.21Å; C234-V259 WeakPolarHBondContact CB-O 3.47Å; C234-V259 PolarHBondContact N-O 3.05Å; F239-V259 HydrophobicContact CE2-CG2 4.44Å; M255-V259 PolarHBondContact O-N 2.86Å; I256-V259 WeakPolarHBondContact O-CG2 3.34Å; I256-V259 PolarHBondContact O-N 2.62Å; V259-A261 HydrophobicContact CG2-CB 4.44Å; V259-L300 HydrophobicContact CG1-CD1 4.46Å; V259-L300 HydrophobicContact CG2-CD1 4.08Å; V259-L303 HydrophobicContact CB-CD2 4.05Å; V259-L303 HydrophobicContact CB-CG 4.31Å; V259-L303 HydrophobicContact CG1-CD2 4.06Å; V259-L303 HydrophobicContact CG1-CG 3.92Å; V259-L303 HydrophobicContact CG2-CD2 4.12Å; V259-F304 HydrophobicContact CG1-CB 4.46Å
260	G	92.6	Very high	90.4	Very high	18 Å²	18	39.8 Å²	39.8	19%	0.186	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	5.8	171.1	0	0	0	0	0	115.6	K232 C234 K235 I256 M257 A258	K232-G260 VanDerWaalsContact CD-CA 3.47Å; C234-G260 CarbonylContact C-O 3.59Å; C234-G260 CarbonylContact O-C 3.56Å; C234-G260 VanDerWaalsContact O-O 3.13Å; K235-G260 WeakPolarHBondContact CA-O 3.35Å; I256-G260 PolarHBondContact O-N 3.27Å; M257-G260 PolarHBondContact O-N 3.2Å; A258-G260 PolarHBondContact O-N 3.15Å
261	A	94.8	Very high	90.7	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.041	19%	0.191	C	C	.	.			trans	-80.8	157.3	173.4	0	0	0	0	0	111.3	C234 R237 F239 I256 V259	C234-A261 HydrophobicContact CB-CB 3.88Å; C234-A261 WeakPolarHBondContact O-CA 3.32Å; C234-A261 PolarHBondContact O-N 3.29Å; R237-A261 HydrophobicContact CB-CB 4.31Å; R237-A261 CarbonylContact O-C 3.58Å; R237-A261 WeakPolarHBondContact O-CA 3.4Å; F239-A261 HydrophobicContact CD1-CB 4.29Å; F239-A261 HydrophobicContact CD2-CB 3.51Å; F239-A261 HydrophobicContact CE1-CB 4.31Å; F239-A261 HydrophobicContact CE2-CB 3.5Å; F239-A261 HydrophobicContact CG-CB 3.92Å; F239-A261 HydrophobicContact CZ-CB 3.92Å; I256-A261 HydrophobicContact CG2-CB 3.68Å; I256-A261 PolarHBondContact O-N 2.7Å; V259-A261 HydrophobicContact CG2-CB 4.44Å
262	R	90.3	Very high	90.9	Very high	49 Å²	49	40 Å²	40	19%	0.185	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	143.5	169.3	-70	171.3	173.3	170.7	-9	109.5	R237 I238 F239 D575	R237-R262 PolarHBondContact O-N 3.09Å; I238-R262 WeakPolarHBondContact CA-O 3.37Å; I238-R262 HydrophobicContact CG1-CB 4.47Å; I238-R262 HydrophobicContact CG2-CB 4.48Å; F239-R262 PolarHBondContact N-O 3.33Å; R262-D575 VanDerWaalsContact CD-O 3.29Å; R262-D575 WeakPolarHBondContact CD-O 3.46Å; R262-D575 PolarHBondContact NE-O 3.05Å; R262-D575 PolarHBondContact NH2-O 2.81Å
263	Y	92.5	Very high	91.1	Very high	26 Å²	26	40 Å²	40	10%	0.102	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.9	175	165.4	-106.4	0	0	0	110	F239 I241 K253 I256 A265 N576	F239-Y263 WeakPolarHBondContact O-CA 3.48Å; I241-Y263 HydrophobicContact CB-CE2 4.16Å; I241-Y263 HydrophobicContact CD1-CD2 3.8Å; I241-Y263 HydrophobicContact CD1-CE2 3.45Å; I241-Y263 VanDerWaalsContact CD1-CE2 3.45Å; I241-Y263 HydrophobicContact CG1-CD2 4.15Å; I241-Y263 HydrophobicContact CG1-CE2 3.8Å; K253-Y263 HydrophobicContact CB-CD1 4.42Å; K253-Y263 HydrophobicContact CD-CD1 3.95Å; K253-Y263 HydrophobicContact CD-CE1 4.31Å; K253-Y263 HydrophobicContact CG-CD1 3.88Å; K253-Y263 HydrophobicContact CG-CG 4.18Å; I256-Y263 HydrophobicContact CD1-CD2 4.1Å; Y263-A265 HydrophobicContact CE1-CB 4.38Å; Y263-N576 WeakPolarHBondContact O-CB 3.34Å; Y263-N576 VanDerWaalsContact O-CG 3.26Å; Y263-N576 PolarHBondContact O-ND2 3.06Å
264	T	87.3	Confident	91.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.6	169.1	61.7	0	0	0	0	110.5	I238 F239 Y266 N271	I238-T264 HydrophobicContact CG2-CG2 3.57Å; F239-T264 PolarHBondContact O-N 3.04Å; T264-Y266 VanDerWaalsContact C-N 3.33Å; T264-Y266 CarbonylContact C-O 3.52Å; T264-Y266 HydrophobicContact CG2-CE1 4.02Å; T264-Y266 HydrophobicContact CG2-CE2 4.11Å; T264-Y266 PolarHBondContact OG1-O 3.45Å; T264-N271 PolarHBondContact OG1-ND2 3.15Å
265	A	86	Confident	91.8	Very high	57 Å²	57	33.2 Å²	33.2	47%	0.471	17%	0.172	S	C	.	.	S	Bend	trans	-72.3	-30.3	174.4	0	0	0	0	0	112	Y263 K283	Y263-A265 HydrophobicContact CE1-CB 4.38Å; A265-K283 WeakPolarHBondContact O-CE 3.37Å; A265-K283 PolarHBondContact O-NZ 2.81Å
266	Y	86.5	Confident	91.9	Very high	49 Å²	49	33.2 Å²	33.2	19%	0.192	17%	0.172	C	C	.	.	S	Bend	trans	-83.3	170.1	169.3	62.3	-91.2	0	0	0	111.6	T264 P529 S530 D577 H579	T264-Y266 VanDerWaalsContact C-N 3.33Å; T264-Y266 CarbonylContact C-O 3.52Å; T264-Y266 HydrophobicContact CG2-CE1 4.02Å; T264-Y266 HydrophobicContact CG2-CE2 4.11Å; T264-Y266 PolarHBondContact OG1-O 3.45Å; Y266-P529 HydrophobicContact CD1-CB 3.62Å; Y266-P529 HydrophobicContact CD1-CG 4.05Å; Y266-P529 HydrophobicContact CE1-CB 3.8Å; Y266-P529 HydrophobicContact CE1-CG 4.02Å; Y266-S530 WeakPolarHBondContact CE1-OG 3.28Å; Y266-D577 WeakPolarHBondContact CE1-OD1 3.39Å; Y266-D577 VanDerWaalsContact CZ-OD1 3.31Å; Y266-D577 PolarHBondContact OH-OD1 2.82Å; Y266-H579 PolarHBondContact OH-CE1 2.86Å; Y266-H579 VanDerWaalsContact OH-CE1 3.26Å
267	F	91.5	Very high	91.9	Very high	29 Å²	29	34 Å²	34	13%	0.127	18%	0.176	C	C	.	.			trans	-127.6	133	175.2	-172	-115.3	0	0	0	110.3	N271 L274 K283 K286 A287 W290 V292	F267-N271 WeakPolarHBondContact CA-OD1 3.41Å; F267-N271 HydrophobicContact CD2-CB 3.77Å; F267-N271 HydrophobicContact CE2-CB 3.57Å; F267-L274 HydrophobicContact CD2-CD1 4.1Å; F267-L274 HydrophobicContact CE2-CB 4.12Å; F267-L274 HydrophobicContact CE2-CD1 4.2Å; F267-L274 HydrophobicContact CZ-CB 4.46Å; F267-K283 HydrophobicContact CB-CB 4.39Å; F267-K283 HydrophobicContact CB-CD 3.93Å; F267-K283 HydrophobicContact CB-CG 3.83Å; F267-K283 HydrophobicContact CD1-CB 4.36Å; F267-K283 HydrophobicContact CG-CB 4.39Å; F267-K283 HydrophobicContact CG-CG 4.35Å; F267-K286 HydrophobicContact CD1-CB 4.11Å; F267-K286 HydrophobicContact CE1-CB 4.1Å; F267-A287 HydrophobicContact CE1-CB 3.73Å; F267-A287 HydrophobicContact CZ-CB 3.54Å; F267-W290 HydrophobicContact CD1-CE3 4.01Å; F267-W290 HydrophobicContact CD1-CH2 4.43Å; F267-W290 AromaticContact CD1-CZ3 3.51Å; F267-W290 HydrophobicContact CD1-CZ3 3.51Å; F267-W290 AromaticContact CE1-CE3 3.54Å; F267-W290 HydrophobicContact CE1-CE3 3.54Å; F267-W290 AromaticContact CE1-CZ3 3.57Å; F267-W290 HydrophobicContact CE1-CZ3 3.57Å; F267-W290 HydrophobicContact CG-CZ3 4.38Å; F267-W290 HydrophobicContact CZ-CE3 4.27Å; F267-V292 HydrophobicContact CE2-CG1 4.1Å; F267-V292 HydrophobicContact CZ-CB 3.92Å; F267-V292 HydrophobicContact CZ-CG1 3.91Å; F267-V292 HydrophobicContact CZ-CG2 4.06Å
268	S	87.5	Confident	92	Very high	24 Å²	24	30.1 Å²	30.1	17%	0.168	16%	0.157	C	C	.	.			trans	-143.6	169	-176.2	73.8	0	0	0	0	110.5	L270 N271	S268-L270 PolarHBondContact O-N 3.46Å; S268-L270 VanDerWaalsContact O-N 3.11Å; S268-L270 PolarHBondContact OG-N 3.22Å; S268-N271 PolarHBondContact N-OD1 3.27Å; S268-N271 WeakPolarHBondContact O-CB 3.44Å; S268-N271 PolarHBondContact O-N 3.5Å; S268-N271 PolarHBondContact O-OD1 3.38Å; S268-N271 PolarHBondContact OG-OD1 3.09Å
269	K	87.2	Confident	92.1	Very high	154 Å²	154	34.5 Å²	34.5	67%	0.67	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.1	173.9	-65.8	-176.9	178.8	-176.5	0	113.9	N271 W290	K269-N271 VanDerWaalsContact C-N 3.35Å; K269-W290 HydrophobicContact CD-CG 4.47Å; K269-W290 HydrophobicContact CG-CB 4.37Å; K269-W290 HydrophobicContact CG-CD2 3.56Å; K269-W290 HydrophobicContact CG-CE3 3.85Å; K269-W290 HydrophobicContact CG-CG 3.8Å; K269-W290 HydrophobicContact CG-CZ2 4.44Å; K269-W290 HydrophobicContact CG-CZ3 4.41Å
270	L	87.7	Confident	91.9	Very high	89 Å²	89	36.3 Å²	36.3	47%	0.466	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.4	177.6	-56.3	175.6	0	0	0	112.5	S268 H272 L580	S268-L270 PolarHBondContact O-N 3.46Å; S268-L270 VanDerWaalsContact O-N 3.11Å; S268-L270 PolarHBondContact OG-N 3.22Å; L270-H272 PolarHBondContact O-ND1 3.43Å; L270-L580 HydrophobicContact CD1-CD2 3.7Å
271	N	91.7	Very high	91.8	Very high	5 Å²	5	37 Å²	37	3%	0.027	20%	0.197	C	C	.	.			trans	-71.1	133.4	172.9	-71.9	100.1	0	0	0	110.3	I238 T264 F267 S268 K269 V292	I238-N271 WeakPolarHBondContact CG2-ND2 3.49Å; I238-N271 WeakPolarHBondContact O-CA 3.47Å; T264-N271 PolarHBondContact OG1-ND2 3.15Å; F267-N271 WeakPolarHBondContact CA-OD1 3.41Å; F267-N271 HydrophobicContact CD2-CB 3.77Å; F267-N271 HydrophobicContact CE2-CB 3.57Å; S268-N271 PolarHBondContact N-OD1 3.27Å; S268-N271 WeakPolarHBondContact O-CB 3.44Å; S268-N271 PolarHBondContact O-N 3.5Å; S268-N271 PolarHBondContact O-OD1 3.38Å; S268-N271 PolarHBondContact OG-OD1 3.09Å; K269-N271 VanDerWaalsContact C-N 3.35Å; N271-V292 WeakPolarHBondContact O-CG1 3.44Å
272	H	95.6	Very high	91.7	Very high	75 Å²	75	41.6 Å²	41.6	35%	0.347	23%	0.227	S	C	.	.	S	Bend	trans	-88.4	-20	-177.4	-60.3	81.9	0	0	0	112.6	I238 F239 L270	I238-H272 PolarHBondContact N-ND1 3.28Å; I238-H272 PolarHBondContact O-N 3.46Å; F239-H272 HydrophobicContact CE1-CB 4.46Å; L270-H272 PolarHBondContact O-ND1 3.43Å
273	L	97	Very high	91.9	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	141.7	-174	-171.2	64	0	0	0	110.7	F239 S240 I275 P293 V295 W299 I314	F239-L273 WeakPolarHBondContact CA-O 3.36Å; F239-L273 HydrophobicContact CD1-CB 3.39Å; F239-L273 HydrophobicContact CD1-CD2 4.06Å; F239-L273 HydrophobicContact CD1-CG 4.33Å; F239-L273 HydrophobicContact CD2-CD2 4.19Å; F239-L273 HydrophobicContact CE1-CB 3.58Å; F239-L273 HydrophobicContact CE1-CD2 3.83Å; F239-L273 HydrophobicContact CE1-CG 4.38Å; F239-L273 HydrophobicContact CE2-CD2 4Å; F239-L273 HydrophobicContact CG-CB 4.08Å; F239-L273 HydrophobicContact CG-CD2 4.24Å; F239-L273 HydrophobicContact CZ-CB 4.41Å; F239-L273 HydrophobicContact CZ-CD2 3.82Å; S240-L273 PolarHBondContact N-O 3.45Å; S240-L273 VanDerWaalsContact N-O 3.12Å; L273-I275 HydrophobicContact CD2-CG1 4.31Å; L273-P293 HydrophobicContact CD1-CB 3.86Å; L273-V295 HydrophobicContact CD1-CB 4.44Å; L273-V295 HydrophobicContact CD1-CG1 3.91Å; L273-V295 HydrophobicContact CD1-CG2 3.73Å; L273-V295 HydrophobicContact CD2-CG2 3.91Å; L273-V295 HydrophobicContact CG-CG2 3.96Å; L273-W299 HydrophobicContact CD2-CD2 4.27Å; L273-W299 HydrophobicContact CD2-CE3 3.66Å; L273-W299 HydrophobicContact CD2-CH2 3.42Å; L273-W299 VanDerWaalsContact CD2-CH2 3.42Å; L273-W299 HydrophobicContact CD2-CZ2 4.03Å; L273-W299 HydrophobicContact CD2-CZ3 3.21Å; L273-I314 HydrophobicContact CD1-CD1 3.49Å; L273-I314 VanDerWaalsContact CD1-CD1 3.49Å
274	L	97.7	Very high	92.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.6	166.2	-175	69	0	0	0	110	F267 K283 V284 A287 P293 I294 V295	F267-L274 HydrophobicContact CD2-CD1 4.1Å; F267-L274 HydrophobicContact CE2-CB 4.12Å; F267-L274 HydrophobicContact CE2-CD1 4.2Å; F267-L274 HydrophobicContact CZ-CB 4.46Å; L274-K283 HydrophobicContact CD1-CB 4.06Å; L274-K283 HydrophobicContact CD1-CD 4.13Å; L274-K283 HydrophobicContact CD2-CB 3.94Å; L274-K283 WeakPolarHBondContact CD2-O 3.35Å; L274-V284 HydrophobicContact CD2-CG2 4Å; L274-A287 HydrophobicContact CB-CB 4.26Å; L274-A287 HydrophobicContact CD2-CB 3.72Å; L274-P293 PolarHBondContact N-O 3.37Å; L274-I294 HydrophobicContact CD2-CG2 4.35Å; L274-I294 WeakPolarHBondContact O-CA 3.5Å; L274-V295 PolarHBondContact O-N 2.62Å
275	I	97.6	Very high	92.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116	170.1	-60.4	152.2	0	0	0	107.8	F239 S240 I241 S242 F244 L252 I256 L273 V295 L300	F239-I275 HydrophobicContact CD2-CD1 4.37Å; S240-I275 PolarHBondContact O-N 3.14Å; I241-I275 CarbonylContact C-O 3.53Å; I241-I275 WeakPolarHBondContact CA-O 3.41Å; S242-I275 PolarHBondContact N-O 2.65Å; F244-I275 HydrophobicContact CE2-CG2 4.17Å; F244-I275 HydrophobicContact CZ-CG2 4.4Å; L252-I275 HydrophobicContact CD2-CG2 4.14Å; I256-I275 HydrophobicContact CD1-CD1 3.83Å; I256-I275 HydrophobicContact CG1-CD1 3.99Å; L273-I275 HydrophobicContact CD2-CG1 4.31Å; I275-V295 CarbonylContact C-O 3.55Å; I275-V295 WeakPolarHBondContact CA-O 3.24Å; I275-V295 HydrophobicContact CG1-CG2 4.03Å; I275-L300 HydrophobicContact CD1-CB 4.47Å; I275-L300 HydrophobicContact CD1-CD1 4.47Å; I275-L300 HydrophobicContact CD1-CD2 3.93Å
276	A	96.8	Very high	92.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.4	-174.9	0	0	0	0	0	112	S242 V284 I294 V295 F322	S242-A276 WeakPolarHBondContact O-CA 3.39Å; A276-V284 HydrophobicContact CB-CG2 4Å; A276-I294 HydrophobicContact CB-CG2 3.82Å; A276-V295 PolarHBondContact N-O 2.71Å; A276-F322 HydrophobicContact CB-CD1 4.29Å; A276-F322 HydrophobicContact CB-CE1 3.9Å; A276-F322 WeakPolarHBondContact O-CD1 3.39Å
277	K	94.3	Very high	93.4	Very high	17 Å²	17	45.1 Å²	45.1	7%	0.074	24%	0.24	C	C	.	.	S	Bend	trans	-74.6	-40.9	173.4	-167.3	174.7	-177.5	170.4	0	111.1	S242 G243 F244 E248 F323	S242-K277 PolarHBondContact O-N 3.43Å; G243-K277 WeakPolarHBondContact O-CD 3.17Å; F244-K277 HydrophobicContact CD1-CB 4.1Å; F244-K277 HydrophobicContact CD1-CD 4Å; F244-K277 HydrophobicContact CD1-CG 4.23Å; F244-K277 HydrophobicContact CD2-CB 3.95Å; F244-K277 HydrophobicContact CE1-CB 3.85Å; F244-K277 HydrophobicContact CE1-CD 4.21Å; F244-K277 HydrophobicContact CE1-CG 3.96Å; F244-K277 HydrophobicContact CE2-CB 3.73Å; F244-K277 HydrophobicContact CG-CB 4.17Å; F244-K277 HydrophobicContact CG-CD 4.48Å; F244-K277 HydrophobicContact CZ-CB 3.68Å; F244-K277 HydrophobicContact CZ-CG 4.23Å; E248-K277 IonicContact OE1-NZ 2.71Å; E248-K277 PolarHBondContact OE1-NZ 3.4Å; E248-K277 IonicContact OE2-NZ 3.55Å; E248-K277 PolarHBondContact OE2-NZ 2.69Å; K277-F323 HydrophobicContact CG-CD2 4.38Å; K277-F323 PolarHBondContact O-N 3Å
278	T	93.4	Very high	93.5	Very high	15 Å²	15	47.5 Å²	47.5	9%	0.092	26%	0.261	C	S	.	.	S	Bend	trans	-134.1	160.2	179.4	66	0	0	0	0	109.7	S280 F323	T278-S280 PolarHBondContact O-N 3.03Å; T278-S280 PolarHBondContact OG1-OG 3.08Å; T278-F323 WeakPolarHBondContact CG2-O 3.47Å
279	L	93	Very high	94	Very high	110 Å²	110	51.8 Å²	51.8	58%	0.576	28%	0.278	S	S	*	.	S	Bend	trans	-77.6	38.8	171.6	-75.9	175	0	0	0	112.8	V284 I294 F322	L279-V284 HydrophobicContact CD2-CG1 4.14Å; L279-I294 HydrophobicContact CD2-CG2 4.48Å; L279-F322 HydrophobicContact CD1-CD2 3.58Å; L279-F322 HydrophobicContact CD1-CE2 4Å; L279-F322 HydrophobicContact CD1-CG 4.4Å; L279-F322 HydrophobicContact CD2-CD2 3.55Å; L279-F322 HydrophobicContact CD2-CE1 4.35Å; L279-F322 HydrophobicContact CD2-CE2 3.33Å; L279-F322 HydrophobicContact CD2-CG 4.14Å; L279-F322 HydrophobicContact CD2-CZ 3.79Å; L279-F322 HydrophobicContact CG-CB 4.16Å; L279-F322 HydrophobicContact CG-CD1 4.45Å; L279-F322 HydrophobicContact CG-CD2 3.25Å; L279-F322 HydrophobicContact CG-CE2 3.64Å; L279-F322 HydrophobicContact CG-CG 3.71Å; L279-F322 HydrophobicContact CG-CZ 4.4Å
280	S	89.4	Confident	94.4	Very high	38 Å²	38	47.7 Å²	47.7	27%	0.266	26%	0.259	S	S	.	.			trans	-131.9	157.9	-178.1	73.4	0	0	0	0	112.5	T278 V284 K325	T278-S280 PolarHBondContact O-N 3.03Å; T278-S280 PolarHBondContact OG1-OG 3.08Å; S280-V284 WeakPolarHBondContact O-CG2 3.25Å; S280-K325 VanDerWaalsContact OG-CE 3.31Å; S280-K325 WeakPolarHBondContact OG-CE 3.45Å
281	G	90.5	Very high	94.8	Very high	32 Å²	32	52.6 Å²	52.6	33%	0.33	28%	0.276	S	S	.	.	S	Bend	trans	100.8	165.7	176.7	0	0	0	0	0	114.3	K283 V284 L285	G281-K283 VanDerWaalsContact C-N 3.34Å; G281-K283 PolarHBondContact O-N 3.13Å; G281-V284 PolarHBondContact O-N 2.91Å; G281-V284 VanDerWaalsContact O-N 3.15Å; G281-L285 PolarHBondContact O-N 3.18Å
282	P	92.9	Very high	95	Very high	102 Å²	102	53 Å²	53	66%	0.662	28%	0.279	S	S	*	.	H	α-helix	trans	-64.5	-35.6	-167.5	23.4	-34.1	0	0	0	113.2	V284 L285 K286	P282-V284 VanDerWaalsContact C-N 3.35Å; P282-V284 PolarHBondContact O-N 2.87Å; P282-L285 PolarHBondContact O-N 3.02Å; P282-K286 WeakPolarHBondContact O-CG 3.28Å; P282-K286 PolarHBondContact O-N 3.13Å
283	K	93.7	Very high	95	Very high	34 Å²	34	51.6 Å²	51.6	15%	0.148	28%	0.276	C	S	.	.	H	α-helix	trans	-65.6	-37.5	177.5	-66.1	-173.4	175.7	-170.1	0	112.4	S240 I241 A265 F267 L274 G281 K286 A287	S240-K283 PolarHBondContact OG-NZ 2.86Å; I241-K283 WeakPolarHBondContact O-CD 3.42Å; I241-K283 PolarHBondContact O-NZ 2.82Å; A265-K283 WeakPolarHBondContact O-CE 3.37Å; A265-K283 PolarHBondContact O-NZ 2.81Å; F267-K283 HydrophobicContact CB-CB 4.39Å; F267-K283 HydrophobicContact CB-CD 3.93Å; F267-K283 HydrophobicContact CB-CG 3.83Å; F267-K283 HydrophobicContact CD1-CB 4.36Å; F267-K283 HydrophobicContact CG-CB 4.39Å; F267-K283 HydrophobicContact CG-CG 4.35Å; L274-K283 HydrophobicContact CD1-CB 4.06Å; L274-K283 HydrophobicContact CD1-CD 4.13Å; L274-K283 HydrophobicContact CD2-CB 3.94Å; L274-K283 WeakPolarHBondContact CD2-O 3.35Å; G281-K283 VanDerWaalsContact C-N 3.34Å; G281-K283 PolarHBondContact O-N 3.13Å; K283-K286 PolarHBondContact O-N 3.44Å; K283-A287 VanDerWaalsContact O-CB 3.24Å; K283-A287 WeakPolarHBondContact O-CB 3.22Å; K283-A287 PolarHBondContact O-N 2.89Å
284	V	96.3	Very high	95.1	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-46.1	178.6	175.3	0	0	0	0	109.7	L274 A276 L279 S280 G281 P282 K286 A287 S288 I294	L274-V284 HydrophobicContact CD2-CG2 4Å; A276-V284 HydrophobicContact CB-CG2 4Å; L279-V284 HydrophobicContact CD2-CG1 4.14Å; S280-V284 WeakPolarHBondContact O-CG2 3.25Å; G281-V284 PolarHBondContact O-N 2.91Å; G281-V284 VanDerWaalsContact O-N 3.15Å; P282-V284 VanDerWaalsContact C-N 3.35Å; P282-V284 PolarHBondContact O-N 2.87Å; V284-K286 PolarHBondContact O-N 2.77Å; V284-A287 PolarHBondContact O-N 3.14Å; V284-S288 PolarHBondContact O-N 3.08Å; V284-S288 PolarHBondContact O-OG 2.83Å; V284-I294 HydrophobicContact CG1-CD1 3.82Å
285	L	95.1	Very high	95	Very high	126 Å²	126	52.5 Å²	52.5	66%	0.66	28%	0.281	S	S	*	.	H	α-helix	trans	-57.1	-48.3	175.6	-65	174.5	0	0	0	111.6	G281 P282 A287 S288 E289	G281-L285 PolarHBondContact O-N 3.18Å; P282-L285 PolarHBondContact O-N 3.02Å; L285-A287 PolarHBondContact O-N 3.38Å; L285-S288 PolarHBondContact O-N 3.44Å; L285-E289 PolarHBondContact O-N 3.48Å
286	K	95.3	Very high	94.9	Very high	88 Å²	88	53.3 Å²	53.3	38%	0.383	29%	0.285	S	S	.	.	H	α-helix	trans	-67.7	-33.2	177.5	-70	-55.3	-173.6	-176.6	0	113.3	F267 P282 K283 V284 E289 W290	F267-K286 HydrophobicContact CD1-CB 4.11Å; F267-K286 HydrophobicContact CE1-CB 4.1Å; P282-K286 WeakPolarHBondContact O-CG 3.28Å; P282-K286 PolarHBondContact O-N 3.13Å; K283-K286 PolarHBondContact O-N 3.44Å; V284-K286 PolarHBondContact O-N 2.77Å; K286-E289 VanDerWaalsContact CD-OE2 3.22Å; K286-E289 WeakPolarHBondContact CD-OE2 3.41Å; K286-E289 WeakPolarHBondContact CE-OE2 3.44Å; K286-E289 IonicContact NZ-OE1 3.8Å; K286-E289 PolarHBondContact NZ-OE1 2.8Å; K286-E289 IonicContact NZ-OE2 2.7Å; K286-E289 PolarHBondContact NZ-OE2 3Å; K286-E289 PolarHBondContact O-N 3.38Å; K286-W290 HydrophobicContact CB-CD2 4.3Å; K286-W290 HydrophobicContact CB-CE3 4.21Å; K286-W290 HydrophobicContact CB-CH2 3.98Å; K286-W290 HydrophobicContact CB-CZ2 4.06Å; K286-W290 HydrophobicContact CB-CZ3 4.05Å; K286-W290 HydrophobicContact CD-CH2 4.48Å; K286-W290 HydrophobicContact CD-CZ2 3.85Å; K286-W290 HydrophobicContact CG-CH2 4.23Å; K286-W290 HydrophobicContact CG-CZ2 4.11Å; K286-W290 WeakPolarHBondContact O-CB 3.41Å; K286-W290 PolarHBondContact O-N 3.17Å
287	A	96.7	Very high	94.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.7	-42.1	175.9	0	0	0	0	0	110.9	F267 L274 K283 V284 L285 W290 K291 V292 I294	F267-A287 HydrophobicContact CE1-CB 3.73Å; F267-A287 HydrophobicContact CZ-CB 3.54Å; L274-A287 HydrophobicContact CB-CB 4.26Å; L274-A287 HydrophobicContact CD2-CB 3.72Å; K283-A287 VanDerWaalsContact O-CB 3.24Å; K283-A287 WeakPolarHBondContact O-CB 3.22Å; K283-A287 PolarHBondContact O-N 2.89Å; V284-A287 PolarHBondContact O-N 3.14Å; L285-A287 PolarHBondContact O-N 3.38Å; A287-W290 CarbonylContact O-C 3.5Å; A287-W290 PolarHBondContact O-N 3.31Å; A287-K291 CarbonylContact O-C 3.55Å; A287-K291 WeakPolarHBondContact O-CA 3.39Å; A287-K291 PolarHBondContact O-N 2.89Å; A287-V292 HydrophobicContact CB-CB 4.25Å; A287-V292 PolarHBondContact O-N 2.82Å; A287-I294 HydrophobicContact CB-CD1 3.63Å; A287-I294 HydrophobicContact CB-CG1 3.65Å
288	S	95.1	Very high	94.5	Very high	79 Å²	79	55.9 Å²	55.9	55%	0.552	30%	0.298	S	S	*	.	H	α-helix	trans	-61.7	-47.4	172.5	-61.2	0	0	0	0	111.9	V284 L285 W290 K291	V284-S288 PolarHBondContact O-N 3.08Å; V284-S288 PolarHBondContact O-OG 2.83Å; L285-S288 PolarHBondContact O-N 3.44Å; S288-W290 VanDerWaalsContact C-N 3.33Å; S288-W290 PolarHBondContact O-N 3.2Å; S288-K291 PolarHBondContact O-N 3.38Å
289	E	96.3	Very high	94.5	Very high	114 Å²	114	55.4 Å²	55.4	53%	0.533	29%	0.294	S	S	.	.	H	α-helix	trans	-57.8	-43.7	177	-176.4	-170.1	126.2	0	0	112.1	L285 K286 K291	L285-E289 PolarHBondContact O-N 3.48Å; K286-E289 VanDerWaalsContact CD-OE2 3.22Å; K286-E289 WeakPolarHBondContact CD-OE2 3.41Å; K286-E289 WeakPolarHBondContact CE-OE2 3.44Å; K286-E289 IonicContact NZ-OE1 3.8Å; K286-E289 PolarHBondContact NZ-OE1 2.8Å; K286-E289 IonicContact NZ-OE2 2.7Å; K286-E289 PolarHBondContact NZ-OE2 3Å; K286-E289 PolarHBondContact O-N 3.38Å; E289-K291 VanDerWaalsContact C-N 3.31Å; E289-K291 PolarHBondContact O-N 3.13Å
290	W	96.2	Very high	94.6	Very high	69 Å²	69	50.1 Å²	50.1	26%	0.261	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	5	-177.8	-56.5	-19.1	0	0	0	113.6	F267 K269 K286 A287 S288 V292	F267-W290 HydrophobicContact CD1-CE3 4.01Å; F267-W290 HydrophobicContact CD1-CH2 4.43Å; F267-W290 AromaticContact CD1-CZ3 3.51Å; F267-W290 HydrophobicContact CD1-CZ3 3.51Å; F267-W290 AromaticContact CE1-CE3 3.54Å; F267-W290 HydrophobicContact CE1-CE3 3.54Å; F267-W290 AromaticContact CE1-CZ3 3.57Å; F267-W290 HydrophobicContact CE1-CZ3 3.57Å; F267-W290 HydrophobicContact CG-CZ3 4.38Å; F267-W290 HydrophobicContact CZ-CE3 4.27Å; K269-W290 HydrophobicContact CD-CG 4.47Å; K269-W290 HydrophobicContact CG-CB 4.37Å; K269-W290 HydrophobicContact CG-CD2 3.56Å; K269-W290 HydrophobicContact CG-CE3 3.85Å; K269-W290 HydrophobicContact CG-CG 3.8Å; K269-W290 HydrophobicContact CG-CZ2 4.44Å; K269-W290 HydrophobicContact CG-CZ3 4.41Å; K286-W290 HydrophobicContact CB-CD2 4.3Å; K286-W290 HydrophobicContact CB-CE3 4.21Å; K286-W290 HydrophobicContact CB-CH2 3.98Å; K286-W290 HydrophobicContact CB-CZ2 4.06Å; K286-W290 HydrophobicContact CB-CZ3 4.05Å; K286-W290 HydrophobicContact CD-CH2 4.48Å; K286-W290 HydrophobicContact CD-CZ2 3.85Å; K286-W290 HydrophobicContact CG-CH2 4.23Å; K286-W290 HydrophobicContact CG-CZ2 4.11Å; K286-W290 WeakPolarHBondContact O-CB 3.41Å; K286-W290 PolarHBondContact O-N 3.17Å; A287-W290 CarbonylContact O-C 3.5Å; A287-W290 PolarHBondContact O-N 3.31Å; S288-W290 VanDerWaalsContact C-N 3.33Å; S288-W290 PolarHBondContact O-N 3.2Å; W290-V292 HydrophobicContact CB-CG2 4.05Å; W290-V292 PolarHBondContact O-N 2.72Å
291	K	95.9	Very high	94.6	Very high	192 Å²	192	48.9 Å²	48.9	84%	0.835	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	31.6	-177.2	-55.1	179.7	179.6	179.6	0	113.2	A287 S288 E289	A287-K291 CarbonylContact O-C 3.55Å; A287-K291 WeakPolarHBondContact O-CA 3.39Å; A287-K291 PolarHBondContact O-N 2.89Å; S288-K291 PolarHBondContact O-N 3.38Å; E289-K291 VanDerWaalsContact C-N 3.31Å; E289-K291 PolarHBondContact O-N 3.13Å
292	V	96.1	Very high	94.6	Very high	13 Å²	13	47.4 Å²	47.4	8%	0.079	24%	0.242	C	C	.	.			trans	-80.7	128.7	172.6	178	0	0	0	0	108.2	F267 N271 A287 W290 I294	F267-V292 HydrophobicContact CE2-CG1 4.1Å; F267-V292 HydrophobicContact CZ-CB 3.92Å; F267-V292 HydrophobicContact CZ-CG1 3.91Å; F267-V292 HydrophobicContact CZ-CG2 4.06Å; N271-V292 WeakPolarHBondContact O-CG1 3.44Å; A287-V292 HydrophobicContact CB-CB 4.25Å; A287-V292 PolarHBondContact O-N 2.82Å; W290-V292 HydrophobicContact CB-CG2 4.05Å; W290-V292 PolarHBondContact O-N 2.72Å; V292-I294 PolarHBondContact O-N 2.8Å
293	P	96.3	Very high	94.5	Very high	46 Å²	46	42.6 Å²	42.6	30%	0.299	21%	0.21	S	C	.	.			trans	-56.1	137.5	179.3	-25.9	34.2	0	0	0	112.6	L273 L274 I314	L273-P293 HydrophobicContact CD1-CB 3.86Å; L274-P293 PolarHBondContact N-O 3.37Å; P293-I314 HydrophobicContact CB-CD1 3.8Å; P293-I314 HydrophobicContact CB-CG1 4.41Å; P293-I314 HydrophobicContact CG-CD1 4.33Å
294	I	97.5	Very high	94.3	Very high	20 Å²	20	41.4 Å²	41.4	10%	0.103	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.5	176.4	-45.7	179.7	0	0	0	107.6	L274 A276 L279 V284 A287 V292 F322	L274-I294 HydrophobicContact CD2-CG2 4.35Å; L274-I294 WeakPolarHBondContact O-CA 3.5Å; A276-I294 HydrophobicContact CB-CG2 3.82Å; L279-I294 HydrophobicContact CD2-CG2 4.48Å; V284-I294 HydrophobicContact CG1-CD1 3.82Å; A287-I294 HydrophobicContact CB-CD1 3.63Å; A287-I294 HydrophobicContact CB-CG1 3.65Å; V292-I294 PolarHBondContact O-N 2.8Å; I294-F322 HydrophobicContact CB-CZ 4.37Å; I294-F322 HydrophobicContact CG2-CE1 4.03Å; I294-F322 HydrophobicContact CG2-CZ 3.75Å
295	V	96.6	Very high	93.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.7	-179.5	-61.1	0	0	0	0	111.3	L273 L274 I275 A276 W299 I314 Y319	L273-V295 HydrophobicContact CD1-CB 4.44Å; L273-V295 HydrophobicContact CD1-CG1 3.91Å; L273-V295 HydrophobicContact CD1-CG2 3.73Å; L273-V295 HydrophobicContact CD2-CG2 3.91Å; L273-V295 HydrophobicContact CG-CG2 3.96Å; L274-V295 PolarHBondContact O-N 2.62Å; I275-V295 CarbonylContact C-O 3.55Å; I275-V295 WeakPolarHBondContact CA-O 3.24Å; I275-V295 HydrophobicContact CG1-CG2 4.03Å; A276-V295 PolarHBondContact N-O 2.71Å; V295-W299 HydrophobicContact CB-CB 3.82Å; V295-W299 HydrophobicContact CB-CG 4.03Å; V295-W299 HydrophobicContact CG1-CB 4.33Å; V295-W299 HydrophobicContact CG1-CG 4.09Å; V295-W299 HydrophobicContact CG2-CB 3.9Å; V295-W299 HydrophobicContact CG2-CD2 3.99Å; V295-W299 HydrophobicContact CG2-CE3 3.97Å; V295-W299 HydrophobicContact CG2-CG 3.96Å; V295-I314 HydrophobicContact CG1-CD1 4.1Å; V295-I314 HydrophobicContact CG1-CG1 3.68Å; V295-Y319 CarbonylContact C-O 3.53Å; V295-Y319 WeakPolarHBondContact CA-O 3.19Å
296	N	94.6	Very high	93.5	Very high	17 Å²	17	36.8 Å²	36.8	9%	0.091	19%	0.188	C	C	.	.			trans	-79.2	177.5	171.2	67.5	10.5	0	0	0	111.9	Q298 W299 K318 Y319 Q321 F322	N296-Q298 VanDerWaalsContact C-N 3.26Å; N296-Q298 PolarHBondContact O-N 2.88Å; N296-Q298 WeakPolarHBondContact OD1-CB 3.31Å; N296-Q298 PolarHBondContact OD1-N 3.1Å; N296-W299 PolarHBondContact O-N 3.48Å; N296-W299 PolarHBondContact OD1-N 3.2Å; N296-K318 PolarHBondContact ND2-O 2.91Å; N296-Y319 PolarHBondContact N-O 2.86Å; N296-Y319 WeakPolarHBondContact OD1-CA 3.49Å; N296-Y319 PolarHBondContact OD1-O 3.14Å; N296-Q321 PolarHBondContact ND2-O 2.94Å; N296-F322 HydrophobicContact CB-CD1 4.09Å; N296-F322 HydrophobicContact CB-CE1 4.1Å
297	L	93	Very high	93.1	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.047	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-31.7	178.4	174.9	61.4	0	0	0	113	F244 L252 M255 W299 L300 T301 P335 F336	F244-L297 HydrophobicContact CZ-CB 4.48Å; L252-L297 HydrophobicContact CD2-CD1 3.54Å; L252-L297 HydrophobicContact CG-CD1 4.5Å; M255-L297 HydrophobicContact CE-CD1 4.46Å; M255-L297 HydrophobicContact SD-CD1 4.36Å; L297-W299 PolarHBondContact O-N 2.98Å; L297-L300 PolarHBondContact O-N 3.24Å; L297-T301 PolarHBondContact O-N 2.76Å; L297-T301 PolarHBondContact O-OG1 2.73Å; L297-P335 HydrophobicContact CD2-CB 4.14Å; L297-P335 WeakPolarHBondContact CD2-O 3.45Å; L297-F336 HydrophobicContact CD1-CD1 4.05Å; L297-F336 HydrophobicContact CD1-CE1 3.59Å; L297-F336 HydrophobicContact CD1-CZ 4.27Å; L297-F336 HydrophobicContact CD2-CD1 3.67Å; L297-F336 HydrophobicContact CD2-CD2 4.34Å; L297-F336 HydrophobicContact CD2-CE1 3.72Å; L297-F336 HydrophobicContact CD2-CE2 4.31Å; L297-F336 HydrophobicContact CD2-CG 4Å; L297-F336 HydrophobicContact CD2-CZ 4.04Å; L297-F336 HydrophobicContact CG-CE1 4.34Å
298	Q	90.9	Very high	92.7	Very high	61 Å²	61	38.6 Å²	38.6	29%	0.285	20%	0.203	S	C	.	.	H	α-helix	trans	-57.3	-38	-178.3	-177.4	65.7	9.9	0	0	112.1	N296 L300 T301 E302 Y319	N296-Q298 VanDerWaalsContact C-N 3.26Å; N296-Q298 PolarHBondContact O-N 2.88Å; N296-Q298 WeakPolarHBondContact OD1-CB 3.31Å; N296-Q298 PolarHBondContact OD1-N 3.1Å; Q298-L300 PolarHBondContact O-N 2.74Å; Q298-T301 PolarHBondContact O-N 3.11Å; Q298-E302 PolarHBondContact NE2-OE1 3.19Å; Q298-E302 PolarHBondContact O-N 3.1Å; Q298-Y319 HydrophobicContact CG-CE1 4.46Å
299	W	93.7	Very high	92.3	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.019	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-48.6	175.6	-178.8	87.9	0	0	0	112	F239 L273 V295 N296 L297 L303 S310 M311 I314 Y319	F239-W299 AromaticContact CE2-CH2 3.9Å; F239-W299 HydrophobicContact CE2-CH2 3.9Å; F239-W299 AromaticContact CE2-CZ3 3.85Å; F239-W299 HydrophobicContact CE2-CZ3 3.85Å; F239-W299 AromaticContact CZ-CH2 3.77Å; F239-W299 HydrophobicContact CZ-CH2 3.77Å; F239-W299 HydrophobicContact CZ-CZ3 4.17Å; L273-W299 HydrophobicContact CD2-CD2 4.27Å; L273-W299 HydrophobicContact CD2-CE3 3.66Å; L273-W299 HydrophobicContact CD2-CH2 3.42Å; L273-W299 VanDerWaalsContact CD2-CH2 3.42Å; L273-W299 HydrophobicContact CD2-CZ2 4.03Å; L273-W299 HydrophobicContact CD2-CZ3 3.21Å; V295-W299 HydrophobicContact CB-CB 3.82Å; V295-W299 HydrophobicContact CB-CG 4.03Å; V295-W299 HydrophobicContact CG1-CB 4.33Å; V295-W299 HydrophobicContact CG1-CG 4.09Å; V295-W299 HydrophobicContact CG2-CB 3.9Å; V295-W299 HydrophobicContact CG2-CD2 3.99Å; V295-W299 HydrophobicContact CG2-CE3 3.97Å; V295-W299 HydrophobicContact CG2-CG 3.96Å; N296-W299 PolarHBondContact O-N 3.48Å; N296-W299 PolarHBondContact OD1-N 3.2Å; L297-W299 PolarHBondContact O-N 2.98Å; W299-L303 HydrophobicContact CH2-CD2 3.51Å; W299-L303 HydrophobicContact CZ2-CD2 4.09Å; W299-L303 HydrophobicContact CZ3-CD2 3.84Å; W299-L303 WeakPolarHBondContact O-CB 3.33Å; W299-L303 PolarHBondContact O-N 3.02Å; W299-L303 VanDerWaalsContact O-N 3.11Å; W299-S310 PolarHBondContact NE1-O 3.15Å; W299-M311 HydrophobicContact CZ2-CG 4.16Å; W299-I314 HydrophobicContact CZ2-CD1 4.46Å; W299-Y319 HydrophobicContact CB-CD1 3.57Å; W299-Y319 HydrophobicContact CB-CE1 4Å; W299-Y319 HydrophobicContact CB-CG 3.88Å; W299-Y319 AromaticContact CD1-CD2 3.61Å; W299-Y319 AromaticContact CD1-CE2 3.7Å; W299-Y319 AromaticContact CD1-CG 3.8Å; W299-Y319 AromaticContact CD1-CZ 3.96Å; W299-Y319 HydrophobicContact CG-CD1 4.27Å; W299-Y319 HydrophobicContact CG-CD2 4.48Å; W299-Y319 HydrophobicContact CG-CE1 4.47Å; W299-Y319 HydrophobicContact CG-CG 4.26Å
300	L	94	Very high	91.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.5	-37.2	-179.1	-173.7	67.6	0	0	0	111.3	L252 M255 I256 V259 I275 L297 Q298 L303 F304	L252-L300 HydrophobicContact CD2-CD2 3.51Å; M255-L300 HydrophobicContact CB-CD2 3.5Å; M255-L300 VanDerWaalsContact CB-CD2 3.5Å; M255-L300 HydrophobicContact CB-CG 4.02Å; M255-L300 HydrophobicContact CE-CD2 4.17Å; M255-L300 HydrophobicContact CE-CG 4.04Å; M255-L300 HydrophobicContact CG-CD2 4.43Å; M255-L300 HydrophobicContact SD-CD2 4.16Å; I256-L300 HydrophobicContact CG1-CD1 4.4Å; I256-L300 HydrophobicContact CG1-CD2 3.97Å; V259-L300 HydrophobicContact CG1-CD1 4.46Å; V259-L300 HydrophobicContact CG2-CD1 4.08Å; I275-L300 HydrophobicContact CD1-CB 4.47Å; I275-L300 HydrophobicContact CD1-CD1 4.47Å; I275-L300 HydrophobicContact CD1-CD2 3.93Å; L297-L300 PolarHBondContact O-N 3.24Å; Q298-L300 PolarHBondContact O-N 2.74Å; L300-L303 PolarHBondContact O-N 3.45Å; L300-F304 WeakPolarHBondContact O-CB 3.24Å; L300-F304 PolarHBondContact O-N 3.5Å
301	T	90.7	Very high	91.4	Very high	12 Å²	12	31.4 Å²	31.4	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-47.5	176.9	-61.2	0	0	0	0	111.7	A221 L297 Q298 F304 F305 L347	A221-T301 HydrophobicContact CB-CG2 4.08Å; L297-T301 PolarHBondContact O-N 2.76Å; L297-T301 PolarHBondContact O-OG1 2.73Å; Q298-T301 PolarHBondContact O-N 3.11Å; T301-F304 WeakPolarHBondContact O-CB 3.45Å; T301-F304 PolarHBondContact O-N 3.35Å; T301-F305 HydrophobicContact CG2-CD2 4Å; T301-F305 HydrophobicContact CG2-CE2 3.54Å; T301-F305 HydrophobicContact CG2-CZ 4.37Å; T301-F305 VanDerWaalsContact O-CD2 3.24Å; T301-F305 WeakPolarHBondContact O-CD2 3.13Å; T301-F305 PolarHBondContact O-N 2.9Å; T301-L347 HydrophobicContact CG2-CD1 4.34Å
302	E	89.1	Confident	91	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-43.8	176.9	-75.1	-178.8	-168.5	0	0	111.8	Q298 F304 F305 G306 Q307 K318 Y319 L347	Q298-E302 PolarHBondContact NE2-OE1 3.19Å; Q298-E302 PolarHBondContact O-N 3.1Å; E302-F304 VanDerWaalsContact C-N 3.33Å; E302-F304 PolarHBondContact O-N 2.97Å; E302-F305 PolarHBondContact O-N 3.4Å; E302-G306 PolarHBondContact O-N 3.49Å; E302-Q307 HydrophobicContact CB-CB 4.28Å; E302-Q307 WeakPolarHBondContact O-CB 3.5Å; E302-Q307 PolarHBondContact O-N 3.32Å; E302-K318 IonicContact OE1-NZ 2.52Å; E302-K318 PolarHBondContact OE1-NZ 3.24Å; E302-K318 IonicContact OE2-NZ 2.96Å; E302-K318 PolarHBondContact OE2-NZ 3Å; E302-Y319 WeakPolarHBondContact OE2-CE1 3.32Å; E302-Y319 PolarHBondContact OE2-OH 3.14Å; E302-L347 HydrophobicContact CG-CD1 3.7Å
303	L	91.3	Very high	90.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-41	175.5	-176.1	63.6	0	0	0	111.7	Y228 P233 C234 V259 W299 L300 F305 G306 M311	Y228-L303 VanDerWaalsContact CE2-O 3.3Å; Y228-L303 WeakPolarHBondContact CE2-O 3.33Å; Y228-L303 PolarHBondContact OH-O 3.09Å; P233-L303 HydrophobicContact CB-CD1 4.38Å; P233-L303 HydrophobicContact CG-CD1 3.95Å; P233-L303 HydrophobicContact CG-CG 4.42Å; C234-L303 VanDerWaalsContact SG-CD2 3.55Å; V259-L303 HydrophobicContact CB-CD2 4.05Å; V259-L303 HydrophobicContact CB-CG 4.31Å; V259-L303 HydrophobicContact CG1-CD2 4.06Å; V259-L303 HydrophobicContact CG1-CG 3.92Å; V259-L303 HydrophobicContact CG2-CD2 4.12Å; W299-L303 HydrophobicContact CH2-CD2 3.51Å; W299-L303 HydrophobicContact CZ2-CD2 4.09Å; W299-L303 HydrophobicContact CZ3-CD2 3.84Å; W299-L303 WeakPolarHBondContact O-CB 3.33Å; W299-L303 PolarHBondContact O-N 3.02Å; W299-L303 VanDerWaalsContact O-N 3.11Å; L300-L303 PolarHBondContact O-N 3.45Å; L303-F305 PolarHBondContact O-N 3.02Å; L303-G306 PolarHBondContact O-N 2.87Å; L303-M311 HydrophobicContact CD1-CG 3.83Å; L303-M311 HydrophobicContact CD1-SD 3.98Å; L303-M311 HydrophobicContact CD2-CG 4.34Å
304	F	90.6	Very high	90.6	Very high	9 Å²	9	33.6 Å²	33.6	4%	0.039	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-35.7	178.5	-174.6	-90.2	0	0	0	111.9	A221 F224 M255 A258 V259 L300 T301 E302 G306	A221-F304 HydrophobicContact CB-CD1 4.29Å; A221-F304 VanDerWaalsContact O-CE1 3.29Å; A221-F304 WeakPolarHBondContact O-CE1 3.37Å; F224-F304 WeakPolarHBondContact O-CE1 3.39Å; M255-F304 HydrophobicContact CB-CD2 3.96Å; M255-F304 HydrophobicContact CB-CE2 4.37Å; M255-F304 HydrophobicContact CE-CB 4.02Å; M255-F304 HydrophobicContact CE-CD2 4.49Å; M255-F304 HydrophobicContact CE-CG 4.22Å; M255-F304 HydrophobicContact CG-CD2 3.97Å; M255-F304 HydrophobicContact CG-CE2 4.15Å; A258-F304 HydrophobicContact CB-CD2 3.94Å; A258-F304 HydrophobicContact CB-CE2 3.45Å; A258-F304 VanDerWaalsContact CB-CE2 3.45Å; A258-F304 HydrophobicContact CB-CZ 4.48Å; V259-F304 HydrophobicContact CG1-CB 4.46Å; L300-F304 WeakPolarHBondContact O-CB 3.24Å; L300-F304 PolarHBondContact O-N 3.5Å; T301-F304 WeakPolarHBondContact O-CB 3.45Å; T301-F304 PolarHBondContact O-N 3.35Å; E302-F304 VanDerWaalsContact C-N 3.33Å; E302-F304 PolarHBondContact O-N 2.97Å; F304-G306 VanDerWaalsContact C-N 3.26Å; F304-G306 PolarHBondContact O-N 3.42Å
305	F	87.2	Confident	90.3	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.026	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	4.4	176.4	-65	-42.1	0	0	0	115.3	A221 F224 T301 E302 L303 I338 L347 W350	A221-F305 HydrophobicContact CB-CE1 4.15Å; A221-F305 HydrophobicContact CB-CE2 4.28Å; A221-F305 HydrophobicContact CB-CZ 3.69Å; F224-F305 HydrophobicContact CB-CE1 4.41Å; F224-F305 HydrophobicContact CD2-CE1 4.31Å; T301-F305 HydrophobicContact CG2-CD2 4Å; T301-F305 HydrophobicContact CG2-CE2 3.54Å; T301-F305 HydrophobicContact CG2-CZ 4.37Å; T301-F305 VanDerWaalsContact O-CD2 3.24Å; T301-F305 WeakPolarHBondContact O-CD2 3.13Å; T301-F305 PolarHBondContact O-N 2.9Å; E302-F305 PolarHBondContact O-N 3.4Å; L303-F305 PolarHBondContact O-N 3.02Å; F305-I338 HydrophobicContact CE2-CD1 4.13Å; F305-I338 HydrophobicContact CZ-CD1 3.76Å; F305-L347 HydrophobicContact CD2-CD1 3.59Å; F305-L347 HydrophobicContact CD2-CD2 4.34Å; F305-L347 HydrophobicContact CD2-CG 3.83Å; F305-L347 HydrophobicContact CE2-CD1 3.97Å; F305-L347 HydrophobicContact CE2-CD2 4.02Å; F305-L347 HydrophobicContact CE2-CG 4.03Å; F305-W350 HydrophobicContact CB-CD2 4.32Å; F305-W350 HydrophobicContact CB-CE3 4.39Å; F305-W350 HydrophobicContact CB-CZ2 4.49Å; F305-W350 HydrophobicContact CD1-CD2 4.35Å; F305-W350 AromaticContact CD1-CE3 3.74Å; F305-W350 HydrophobicContact CD1-CE3 3.74Å; F305-W350 AromaticContact CD1-CH2 3.24Å; F305-W350 HydrophobicContact CD1-CH2 3.24Å; F305-W350 AromaticContact CD1-CZ2 3.86Å; F305-W350 HydrophobicContact CD1-CZ2 3.86Å; F305-W350 AromaticContact CD1-CZ3 3.17Å; F305-W350 HydrophobicContact CD1-CZ3 3.17Å; F305-W350 HydrophobicContact CE1-CE3 4.06Å; F305-W350 AromaticContact CE1-CH2 3.57Å; F305-W350 HydrophobicContact CE1-CH2 3.57Å; F305-W350 AromaticContact CE1-CZ3 3.24Å; F305-W350 HydrophobicContact CE1-CZ3 3.24Å; F305-W350 HydrophobicContact CG-CD2 4.42Å; F305-W350 HydrophobicContact CG-CE3 4.01Å; F305-W350 HydrophobicContact CG-CH2 4.2Å; F305-W350 AromaticContact CG-CZ3 3.92Å; F305-W350 HydrophobicContact CG-CZ3 3.92Å; F305-W350 HydrophobicContact CZ-CZ3 4.02Å; F305-W350 PolarHBondContact O-NE1 2.84Å
306	G	87.1	Confident	90.1	Very high	30 Å²	30	40.5 Å²	40.5	31%	0.309	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	2.3	176.2	0	0	0	0	0	114.9	Y228 E302 L303 F304 T308	Y228-G306 VanDerWaalsContact OH-CA 3.27Å; Y228-G306 WeakPolarHBondContact OH-CA 3.1Å; E302-G306 PolarHBondContact O-N 3.49Å; L303-G306 PolarHBondContact O-N 2.87Å; F304-G306 VanDerWaalsContact C-N 3.26Å; F304-G306 PolarHBondContact O-N 3.42Å; G306-T308 VanDerWaalsContact C-N 3.34Å; G306-T308 PolarHBondContact O-N 3.3Å
307	Q	87.3	Confident	89.9	Confident	49 Å²	49	44.2 Å²	44.2	23%	0.229	25%	0.248	C	C	.	.			trans	-80.7	80.6	179	-57.6	-176	22.7	0	0	110.6	E302 A309 S310	E302-Q307 HydrophobicContact CB-CB 4.28Å; E302-Q307 WeakPolarHBondContact O-CB 3.5Å; E302-Q307 PolarHBondContact O-N 3.32Å; Q307-A309 PolarHBondContact O-N 3.06Å; Q307-S310 WeakPolarHBondContact O-CB 3.33Å; Q307-S310 PolarHBondContact O-N 2.92Å; Q307-S310 PolarHBondContact O-OG 3.44Å
308	T	87.8	Confident	89.8	Confident	77 Å²	77	46.3 Å²	46.3	47%	0.472	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.9	-177.7	54.5	0	0	0	0	113.8	Y228 P233 G306 S310 M311	Y228-T308 HydrophobicContact CE1-CG2 4.49Å; P233-T308 HydrophobicContact CB-CG2 4.22Å; G306-T308 VanDerWaalsContact C-N 3.34Å; G306-T308 PolarHBondContact O-N 3.3Å; T308-S310 PolarHBondContact O-N 2.95Å; T308-S310 VanDerWaalsContact O-N 3.16Å; T308-M311 WeakPolarHBondContact O-CB 3.35Å; T308-M311 PolarHBondContact O-N 3.07Å
309	A	87	Confident	89.9	Confident	51 Å²	51	43.7 Å²	43.7	42%	0.421	24%	0.244	S	C	.	.	H	α-helix	trans	-57.6	-26.6	174.1	0	0	0	0	0	113.2	Q307 M311 Q312 N313	Q307-A309 PolarHBondContact O-N 3.06Å; A309-M311 PolarHBondContact O-N 3.48Å; A309-Q312 PolarHBondContact O-N 3.41Å; A309-N313 PolarHBondContact O-N 3.43Å
310	S	84.7	Confident	89.8	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-57.3	-28.1	173.8	58.9	0	0	0	0	113.1	W299 Q307 T308 N313 I314 Y319	W299-S310 PolarHBondContact NE1-O 3.15Å; Q307-S310 WeakPolarHBondContact O-CB 3.33Å; Q307-S310 PolarHBondContact O-N 2.92Å; Q307-S310 PolarHBondContact O-OG 3.44Å; T308-S310 PolarHBondContact O-N 2.95Å; T308-S310 VanDerWaalsContact O-N 3.16Å; S310-N313 CarbonylContact O-C 3.55Å; S310-I314 PolarHBondContact O-N 3.03Å; S310-Y319 VanDerWaalsContact CB-OH 3.24Å; S310-Y319 WeakPolarHBondContact CB-OH 3.5Å
311	M	88.2	Confident	89.7	Confident	57 Å²	57	56.3 Å²	56.3	28%	0.281	30%	0.297	S	S	.	.	H	α-helix	trans	-72.3	-40.6	177.8	-67.3	-178.2	59.4	0	0	112.7	P233 C234 W299 L303 T308 A309	P233-M311 HydrophobicContact CB-SD 3.79Å; C234-M311 VanDerWaalsContact SG-SD 3.65Å; W299-M311 HydrophobicContact CZ2-CG 4.16Å; L303-M311 HydrophobicContact CD1-CG 3.83Å; L303-M311 HydrophobicContact CD1-SD 3.98Å; L303-M311 HydrophobicContact CD2-CG 4.34Å; T308-M311 WeakPolarHBondContact O-CB 3.35Å; T308-M311 PolarHBondContact O-N 3.07Å; A309-M311 PolarHBondContact O-N 3.48Å
312	Q	88.3	Confident	89.8	Confident	171 Å²	171	57.6 Å²	57.6	80%	0.799	30%	0.302	S	S	*	.	H	α-helix	trans	-74.2	-36.3	177.8	-67.3	173.6	-5.6	0	0	110.5	A309 I314	A309-Q312 PolarHBondContact O-N 3.41Å; Q312-I314 PolarHBondContact O-N 2.99Å
313	N	90.7	Very high	89.8	Confident	95 Å²	95	61 Å²	61	51%	0.508	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	36.8	-177.6	-64	-27.7	0	0	0	113	A309 S310 N315 N316 Y319	A309-N313 PolarHBondContact O-N 3.43Å; S310-N313 CarbonylContact O-C 3.55Å; N313-N315 PolarHBondContact O-N 3.14Å; N313-N315 VanDerWaalsContact O-N 3.1Å; N313-N316 VanDerWaalsContact O-CB 3.27Å; N313-N316 WeakPolarHBondContact O-CB 3.38Å; N313-N316 PolarHBondContact O-N 3.24Å; N313-Y319 WeakPolarHBondContact O-CE2 3.32Å
314	I	92.3	Very high	89.6	Confident	32 Å²	32	63.7 Å²	63.7	16%	0.164	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.7	-176.6	-168.8	163.9	0	0	0	113.6	L273 P293 V295 W299 S310 Q312 N316	L273-I314 HydrophobicContact CD1-CD1 3.49Å; L273-I314 VanDerWaalsContact CD1-CD1 3.49Å; P293-I314 HydrophobicContact CB-CD1 3.8Å; P293-I314 HydrophobicContact CB-CG1 4.41Å; P293-I314 HydrophobicContact CG-CD1 4.33Å; V295-I314 HydrophobicContact CG1-CD1 4.1Å; V295-I314 HydrophobicContact CG1-CG1 3.68Å; W299-I314 HydrophobicContact CZ2-CD1 4.46Å; S310-I314 PolarHBondContact O-N 3.03Å; Q312-I314 PolarHBondContact O-N 2.99Å; I314-N316 VanDerWaalsContact C-N 3.27Å; I314-N316 PolarHBondContact O-N 3.48Å
315	N	91.3	Very high	89.3	Confident	104 Å²	104	68.8 Å²	68.8	56%	0.556	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	3.7	178.8	-67.6	-37.2	0	0	0	114	N313 R320	N313-N315 PolarHBondContact O-N 3.14Å; N313-N315 VanDerWaalsContact O-N 3.1Å; N315-R320 PolarHBondContact OD1-NH2 2.96Å
316	N	91.7	Very high	89.2	Confident	62 Å²	62	74.5 Å²	74.5	33%	0.332	39%	0.385	S	S	.	.			trans	-56	129.6	176.9	-171.4	-48.2	0	0	0	110.1	N313 I314 K318 Y319	N313-N316 VanDerWaalsContact O-CB 3.27Å; N313-N316 WeakPolarHBondContact O-CB 3.38Å; N313-N316 PolarHBondContact O-N 3.24Å; I314-N316 VanDerWaalsContact C-N 3.27Å; I314-N316 PolarHBondContact O-N 3.48Å; N316-K318 HydrophobicContact CB-CG 4.34Å; N316-K318 PolarHBondContact O-N 3.36Å; N316-K318 VanDerWaalsContact OD1-CG 3.26Å; N316-K318 WeakPolarHBondContact OD1-CG 3.38Å; N316-K318 PolarHBondContact OD1-N 3.01Å; N316-K318 VanDerWaalsContact OD1-N 3.09Å; N316-Y319 HydrophobicContact CB-CD2 3.71Å; N316-Y319 HydrophobicContact CB-CE2 3.83Å; N316-Y319 PolarHBondContact O-N 2.99Å
317	P	91	Very high	89.2	Confident	94 Å²	94	75.8 Å²	75.8	61%	0.61	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-50.8	-33	-178.2	-29.7	35.1	0	0	0	114.2	Y319 R320 Q321	P317-Y319 PolarHBondContact O-N 3.18Å; P317-R320 CarbonylContact O-C 3.53Å; P317-R320 WeakPolarHBondContact O-CA 3.5Å; P317-R320 PolarHBondContact O-N 2.9Å; P317-Q321 PolarHBondContact O-N 3.37Å
318	K	90.1	Very high	89	Confident	53 Å²	53	74.9 Å²	74.9	23%	0.23	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-60.7	-28.4	178.5	79	-173.1	176.5	151.5	0	113.5	N296 E302 N316 R320	N296-K318 PolarHBondContact ND2-O 2.91Å; E302-K318 IonicContact OE1-NZ 2.52Å; E302-K318 PolarHBondContact OE1-NZ 3.24Å; E302-K318 IonicContact OE2-NZ 2.96Å; E302-K318 PolarHBondContact OE2-NZ 3Å; N316-K318 HydrophobicContact CB-CG 4.34Å; N316-K318 PolarHBondContact O-N 3.36Å; N316-K318 VanDerWaalsContact OD1-CG 3.26Å; N316-K318 WeakPolarHBondContact OD1-CG 3.38Å; N316-K318 PolarHBondContact OD1-N 3.01Å; N316-K318 VanDerWaalsContact OD1-N 3.09Å; K318-R320 VanDerWaalsContact C-N 3.29Å
319	Y	93.2	Very high	88.7	Confident	6 Å²	6	78.6 Å²	78.6	2%	0.024	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-83.3	-8.9	176.7	-55.3	-45.3	0	0	0	112.9	V295 N296 Q298 W299 E302 S310 N313 N316 P317	V295-Y319 CarbonylContact C-O 3.53Å; V295-Y319 WeakPolarHBondContact CA-O 3.19Å; N296-Y319 PolarHBondContact N-O 2.86Å; N296-Y319 WeakPolarHBondContact OD1-CA 3.49Å; N296-Y319 PolarHBondContact OD1-O 3.14Å; Q298-Y319 HydrophobicContact CG-CE1 4.46Å; W299-Y319 HydrophobicContact CB-CD1 3.57Å; W299-Y319 HydrophobicContact CB-CE1 4Å; W299-Y319 HydrophobicContact CB-CG 3.88Å; W299-Y319 AromaticContact CD1-CD2 3.61Å; W299-Y319 AromaticContact CD1-CE2 3.7Å; W299-Y319 AromaticContact CD1-CG 3.8Å; W299-Y319 AromaticContact CD1-CZ 3.96Å; W299-Y319 HydrophobicContact CG-CD1 4.27Å; W299-Y319 HydrophobicContact CG-CD2 4.48Å; W299-Y319 HydrophobicContact CG-CE1 4.47Å; W299-Y319 HydrophobicContact CG-CG 4.26Å; E302-Y319 WeakPolarHBondContact OE2-CE1 3.32Å; E302-Y319 PolarHBondContact OE2-OH 3.14Å; S310-Y319 VanDerWaalsContact CB-OH 3.24Å; S310-Y319 WeakPolarHBondContact CB-OH 3.5Å; N313-Y319 WeakPolarHBondContact O-CE2 3.32Å; N316-Y319 HydrophobicContact CB-CD2 3.71Å; N316-Y319 HydrophobicContact CB-CE2 3.83Å; N316-Y319 PolarHBondContact O-N 2.99Å; P317-Y319 PolarHBondContact O-N 3.18Å
320	R	92.5	Very high	88.4	Confident	134 Å²	134	81.8 Å²	81.8	51%	0.506	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-106.7	9	176.9	-60.5	-162.9	-179.3	-179.1	2.9	113.2	N315 P317 K318 F322	N315-R320 PolarHBondContact OD1-NH2 2.96Å; P317-R320 CarbonylContact O-C 3.53Å; P317-R320 WeakPolarHBondContact O-CA 3.5Å; P317-R320 PolarHBondContact O-N 2.9Å; K318-R320 VanDerWaalsContact C-N 3.29Å; R320-F322 HydrophobicContact CB-CE2 4.2Å; R320-F322 WeakPolarHBondContact O-CD2 3.49Å; R320-F322 VanDerWaalsContact O-CE2 3.24Å; R320-F322 WeakPolarHBondContact O-CE2 3.5Å
321	Q	91.7	Very high	88	Confident	137 Å²	137	86.6 Å²	86.6	64%	0.64	44%	0.441	S	S	*	.			trans	-87.7	106.1	170.4	-71	173.3	-3.3	0	0	108.7	N296 P317	N296-Q321 PolarHBondContact ND2-O 2.94Å; P317-Q321 PolarHBondContact O-N 3.37Å
322	F	92.2	Very high	87.4	Confident	39 Å²	39	91.7 Å²	91.7	17%	0.171	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-103.9	152.7	-178.1	-60.7	-92.1	0	0	0	110.6	A276 L279 I294 N296 R320	A276-F322 HydrophobicContact CB-CD1 4.29Å; A276-F322 HydrophobicContact CB-CE1 3.9Å; A276-F322 WeakPolarHBondContact O-CD1 3.39Å; L279-F322 HydrophobicContact CD1-CD2 3.58Å; L279-F322 HydrophobicContact CD1-CE2 4Å; L279-F322 HydrophobicContact CD1-CG 4.4Å; L279-F322 HydrophobicContact CD2-CD2 3.55Å; L279-F322 HydrophobicContact CD2-CE1 4.35Å; L279-F322 HydrophobicContact CD2-CE2 3.33Å; L279-F322 HydrophobicContact CD2-CG 4.14Å; L279-F322 HydrophobicContact CD2-CZ 3.79Å; L279-F322 HydrophobicContact CG-CB 4.16Å; L279-F322 HydrophobicContact CG-CD1 4.45Å; L279-F322 HydrophobicContact CG-CD2 3.25Å; L279-F322 HydrophobicContact CG-CE2 3.64Å; L279-F322 HydrophobicContact CG-CG 3.71Å; L279-F322 HydrophobicContact CG-CZ 4.4Å; I294-F322 HydrophobicContact CB-CZ 4.37Å; I294-F322 HydrophobicContact CG2-CE1 4.03Å; I294-F322 HydrophobicContact CG2-CZ 3.75Å; N296-F322 HydrophobicContact CB-CD1 4.09Å; N296-F322 HydrophobicContact CB-CE1 4.1Å; R320-F322 HydrophobicContact CB-CE2 4.2Å; R320-F322 WeakPolarHBondContact O-CD2 3.49Å; R320-F322 VanDerWaalsContact O-CE2 3.24Å; R320-F322 WeakPolarHBondContact O-CE2 3.5Å
323	F	89.3	Confident	87.2	Confident	73 Å²	73	85.6 Å²	85.6	32%	0.32	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-67.3	148	176.4	-60.1	-61.4	0	0	0	110.7	K277 T278 L327 C328 F333 P335	K277-F323 HydrophobicContact CG-CD2 4.38Å; K277-F323 PolarHBondContact O-N 3Å; T278-F323 WeakPolarHBondContact CG2-O 3.47Å; F323-L327 HydrophobicContact CB-CD2 4.38Å; F323-L327 HydrophobicContact CD1-CD2 3.69Å; F323-L327 HydrophobicContact CE1-CD2 4.42Å; F323-L327 HydrophobicContact CG-CD2 4.4Å; F323-C328 VanDerWaalsContact CB-SG 3.53Å; F323-F333 HydrophobicContact CB-CZ 4.33Å; F323-F333 HydrophobicContact CD1-CE2 4.15Å; F323-F333 AromaticContact CD1-CZ 3.75Å; F323-F333 HydrophobicContact CD1-CZ 3.75Å; F323-F333 HydrophobicContact CD2-CE1 4.25Å; F323-F333 AromaticContact CD2-CZ 3.66Å; F323-F333 HydrophobicContact CD2-CZ 3.66Å; F323-F333 HydrophobicContact CE1-CE2 4.09Å; F323-F333 AromaticContact CE1-CZ 3.84Å; F323-F333 HydrophobicContact CE1-CZ 3.84Å; F323-F333 AromaticContact CE2-CZ 3.76Å; F323-F333 HydrophobicContact CE2-CZ 3.76Å; F323-F333 HydrophobicContact CG-CE1 4.42Å; F323-F333 HydrophobicContact CG-CE2 4.46Å; F323-F333 AromaticContact CG-CZ 3.64Å; F323-F333 HydrophobicContact CG-CZ 3.64Å; F323-F333 HydrophobicContact CZ-CE2 4.36Å; F323-F333 AromaticContact CZ-CZ 3.84Å; F323-F333 HydrophobicContact CZ-CZ 3.84Å; F323-P335 HydrophobicContact CD2-CB 4.49Å; F323-P335 HydrophobicContact CE2-CB 3.76Å; F323-P335 HydrophobicContact CZ-CB 4.38Å
324	S	87.3	Confident	86.9	Confident	55 Å²	55	83.5 Å²	83.5	39%	0.385	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-71.6	159.4	170.5	90.4	0	0	0	0	110.3	E326 L327 C328	S324-E326 VanDerWaalsContact C-N 3.27Å; S324-E326 WeakPolarHBondContact CB-OE2 3.48Å; S324-E326 PolarHBondContact O-N 3.02Å; S324-E326 PolarHBondContact OG-N 2.64Å; S324-E326 PolarHBondContact OG-OE2 2.91Å; S324-L327 PolarHBondContact OG-N 3.28Å; S324-L327 VanDerWaalsContact OG-N 3.14Å; S324-C328 PolarHBondContact O-N 3.09Å; S324-C328 VanDerWaalsContact O-N 3.17Å; S324-C328 PolarHBondContact O-SG 3.25Å
325	K	83.9	Confident	86.7	Confident	117 Å²	117	82.7 Å²	82.7	51%	0.509	43%	0.426	S	S	.	.	H	α-helix	trans	-65.3	-37.3	177.9	-74.6	-176.2	178.9	177.9	0	111	S280 C328 Q329	S280-K325 VanDerWaalsContact OG-CE 3.31Å; S280-K325 WeakPolarHBondContact OG-CE 3.45Å; K325-C328 WeakPolarHBondContact O-CB 3.46Å; K325-C328 PolarHBondContact O-N 3.01Å; K325-Q329 VanDerWaalsContact O-CG 3.31Å; K325-Q329 WeakPolarHBondContact O-CG 3.43Å; K325-Q329 PolarHBondContact O-N 3.38Å
326	E	86	Confident	86.5	Confident	126 Å²	126	78.4 Å²	78.4	59%	0.589	40%	0.402	S	S	*	.	H	α-helix	trans	-64.3	-45.2	-179.3	-54.9	69.8	-145.8	0	0	110.5	S324 C328 Q329	S324-E326 VanDerWaalsContact C-N 3.27Å; S324-E326 WeakPolarHBondContact CB-OE2 3.48Å; S324-E326 PolarHBondContact O-N 3.02Å; S324-E326 PolarHBondContact OG-N 2.64Å; S324-E326 PolarHBondContact OG-OE2 2.91Å; E326-C328 VanDerWaalsContact C-N 3.32Å; E326-C328 PolarHBondContact O-N 2.94Å; E326-Q329 PolarHBondContact O-N 3.46Å
327	L	85.5	Confident	86.1	Confident	57 Å²	57	83.5 Å²	83.5	30%	0.298	42%	0.417	S	S	.	.	H	α-helix	trans	-62.8	-40.8	175.7	-178.1	63.4	0	0	0	111.5	F323 S324 Q329 Q330 F333	F323-L327 HydrophobicContact CB-CD2 4.38Å; F323-L327 HydrophobicContact CD1-CD2 3.69Å; F323-L327 HydrophobicContact CE1-CD2 4.42Å; F323-L327 HydrophobicContact CG-CD2 4.4Å; S324-L327 PolarHBondContact OG-N 3.28Å; S324-L327 VanDerWaalsContact OG-N 3.14Å; L327-Q329 PolarHBondContact O-N 2.85Å; L327-Q330 PolarHBondContact O-N 2.8Å; L327-F333 HydrophobicContact CD1-CD2 4.01Å; L327-F333 HydrophobicContact CD1-CE2 4.26Å; L327-F333 HydrophobicContact CD2-CD2 4.43Å; L327-F333 HydrophobicContact CD2-CE2 3.85Å; L327-F333 HydrophobicContact CD2-CZ 4.37Å; L327-F333 HydrophobicContact CG-CD2 3.86Å; L327-F333 HydrophobicContact CG-CE2 3.73Å; L327-F333 HydrophobicContact CG-CZ 4.3Å; L327-F333 WeakPolarHBondContact O-CG 3.46Å
328	C	84.6	Confident	85.3	Confident	29 Å²	29	80.2 Å²	80.2	20%	0.196	39%	0.394	C	S	.	.	H	α-helix	trans	-65.7	-16.4	179.2	-68.2	0	0	0	0	114.2	F323 S324 K325 E326	F323-C328 VanDerWaalsContact CB-SG 3.53Å; S324-C328 PolarHBondContact O-N 3.09Å; S324-C328 VanDerWaalsContact O-N 3.17Å; S324-C328 PolarHBondContact O-SG 3.25Å; K325-C328 WeakPolarHBondContact O-CB 3.46Å; K325-C328 PolarHBondContact O-N 3.01Å; E326-C328 VanDerWaalsContact C-N 3.32Å; E326-C328 PolarHBondContact O-N 2.94Å
329	Q	81.5	Confident	83.9	Confident	155 Å²	155	82.1 Å²	82.1	72%	0.724	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-7.1	-179	-72.7	168.3	-1.6	0	0	113.2	K325 E326 L327	K325-Q329 VanDerWaalsContact O-CG 3.31Å; K325-Q329 WeakPolarHBondContact O-CG 3.43Å; K325-Q329 PolarHBondContact O-N 3.38Å; E326-Q329 PolarHBondContact O-N 3.46Å; L327-Q329 PolarHBondContact O-N 2.85Å
330	Q	81	Confident	82	Confident	118 Å²	118	84.4 Å²	84.4	55%	0.551	43%	0.427	S	S	*	.	S	Bend	trans	-70.9	134.5	178.8	-63.2	179.6	0	0	0	111	L327 N332 F333	L327-Q330 PolarHBondContact O-N 2.8Å; Q330-N332 VanDerWaalsContact C-N 3.28Å; Q330-N332 PolarHBondContact O-N 2.8Å; Q330-F333 HydrophobicContact CB-CB 4.11Å; Q330-F333 VanDerWaalsContact O-CB 3.29Å; Q330-F333 WeakPolarHBondContact O-CB 3.13Å; Q330-F333 PolarHBondContact O-N 2.96Å; Q330-F333 VanDerWaalsContact O-N 3.07Å
331	A	76	Confident	80	Confident	105 Å²	105	82.5 Å²	82.5	87%	0.868	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.1	-174	0	0	0	0	0	114.1
332	N	76.2	Confident	78.1	Confident	164 Å²	164	79.9 Å²	79.9	88%	0.877	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	8.1	-178.3	-66.7	-22.6	0	0	0	113.3	Q330 D334	Q330-N332 VanDerWaalsContact C-N 3.28Å; Q330-N332 PolarHBondContact O-N 2.8Å; N332-D334 PolarHBondContact O-N 3.4Å
333	F	82.7	Confident	76.3	Confident	43 Å²	43	79 Å²	79	19%	0.189	44%	0.441	C	S	.	.			trans	-79.1	110	-178.8	-179.4	-105.9	0	0	0	111.2	F323 L327 Q330 P335	F323-F333 HydrophobicContact CB-CZ 4.33Å; F323-F333 HydrophobicContact CD1-CE2 4.15Å; F323-F333 AromaticContact CD1-CZ 3.75Å; F323-F333 HydrophobicContact CD1-CZ 3.75Å; F323-F333 HydrophobicContact CD2-CE1 4.25Å; F323-F333 AromaticContact CD2-CZ 3.66Å; F323-F333 HydrophobicContact CD2-CZ 3.66Å; F323-F333 HydrophobicContact CE1-CE2 4.09Å; F323-F333 AromaticContact CE1-CZ 3.84Å; F323-F333 HydrophobicContact CE1-CZ 3.84Å; F323-F333 AromaticContact CE2-CZ 3.76Å; F323-F333 HydrophobicContact CE2-CZ 3.76Å; F323-F333 HydrophobicContact CG-CE1 4.42Å; F323-F333 HydrophobicContact CG-CE2 4.46Å; F323-F333 AromaticContact CG-CZ 3.64Å; F323-F333 HydrophobicContact CG-CZ 3.64Å; F323-F333 HydrophobicContact CZ-CE2 4.36Å; F323-F333 AromaticContact CZ-CZ 3.84Å; F323-F333 HydrophobicContact CZ-CZ 3.84Å; L327-F333 HydrophobicContact CD1-CD2 4.01Å; L327-F333 HydrophobicContact CD1-CE2 4.26Å; L327-F333 HydrophobicContact CD2-CD2 4.43Å; L327-F333 HydrophobicContact CD2-CE2 3.85Å; L327-F333 HydrophobicContact CD2-CZ 4.37Å; L327-F333 HydrophobicContact CG-CD2 3.86Å; L327-F333 HydrophobicContact CG-CE2 3.73Å; L327-F333 HydrophobicContact CG-CZ 4.3Å; L327-F333 WeakPolarHBondContact O-CG 3.46Å; Q330-F333 HydrophobicContact CB-CB 4.11Å; Q330-F333 VanDerWaalsContact O-CB 3.29Å; Q330-F333 WeakPolarHBondContact O-CB 3.13Å; Q330-F333 PolarHBondContact O-N 2.96Å; Q330-F333 VanDerWaalsContact O-N 3.07Å; F333-P335 HydrophobicContact CE1-CB 3.98Å; F333-P335 HydrophobicContact CE1-CG 4.22Å; F333-P335 HydrophobicContact CZ-CB 4.04Å
334	D	85.8	Confident	74.8	Confident	51 Å²	51	80.4 Å²	80.4	27%	0.273	45%	0.45	S	S	.	.			trans	-114.1	106.1	171.2	-179.1	-1.1	0	0	0	109.5	K220 N332 F336 R337	K220-D334 WeakPolarHBondContact CE-OD2 3.27Å; N332-D334 PolarHBondContact O-N 3.4Å; D334-F336 PolarHBondContact O-N 3.08Å; D334-F336 VanDerWaalsContact O-N 3.15Å; D334-F336 WeakPolarHBondContact OD1-CB 3.42Å; D334-F336 PolarHBondContact OD1-N 3.42Å; D334-R337 HydrophobicContact CB-CB 4Å; D334-R337 WeakPolarHBondContact O-CB 3.5Å; D334-R337 PolarHBondContact O-N 2.88Å; D334-R337 VanDerWaalsContact O-N 3.13Å
335	P	87	Confident	73.7	Confident	15 Å²	15	82.6 Å²	82.6	10%	0.097	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17	-179.2	26.8	-33.2	0	0	0	113	E248 L297 F323 F333	E248-P335 WeakPolarHBondContact OE1-CD 3.07Å; E248-P335 WeakPolarHBondContact OE1-CG 3.27Å; L297-P335 HydrophobicContact CD2-CB 4.14Å; L297-P335 WeakPolarHBondContact CD2-O 3.45Å; F323-P335 HydrophobicContact CD2-CB 4.49Å; F323-P335 HydrophobicContact CE2-CB 3.76Å; F323-P335 HydrophobicContact CZ-CB 4.38Å; F333-P335 HydrophobicContact CE1-CB 3.98Å; F333-P335 HydrophobicContact CE1-CG 4.22Å; F333-P335 HydrophobicContact CZ-CB 4.04Å
336	F	88.1	Confident	72.7	Confident	14 Å²	14	83.4 Å²	83.4	6%	0.061	47%	0.472	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-8.1	179.1	-61.4	-92.1	0	0	0	113.2	K220 F244 E248 C251 L252 M255 L297 D334 I338	K220-F336 HydrophobicContact CD-CB 4.32Å; K220-F336 HydrophobicContact CG-CB 4.13Å; F244-F336 HydrophobicContact CD1-CE2 4.33Å; F244-F336 HydrophobicContact CD1-CZ 4.28Å; F244-F336 HydrophobicContact CE1-CE2 4.44Å; F244-F336 HydrophobicContact CE1-CZ 4.27Å; E248-F336 HydrophobicContact CB-CE2 3.61Å; E248-F336 HydrophobicContact CB-CZ 4.07Å; E248-F336 HydrophobicContact CG-CD2 4.31Å; E248-F336 HydrophobicContact CG-CE2 3.61Å; C251-F336 HydrophobicContact CB-CD1 4.41Å; C251-F336 HydrophobicContact CB-CE1 4.05Å; C251-F336 HydrophobicContact CB-CZ 4.27Å; C251-F336 WeakPolarHBondContact SG-CD1 3.35Å; C251-F336 VanDerWaalsContact SG-CE1 3.51Å; L252-F336 HydrophobicContact CD1-CZ 4.06Å; L252-F336 HydrophobicContact CD2-CE1 4.15Å; L252-F336 HydrophobicContact CD2-CZ 4.35Å; L252-F336 HydrophobicContact CG-CE1 3.87Å; L252-F336 HydrophobicContact CG-CZ 3.72Å; M255-F336 HydrophobicContact SD-CD1 4.41Å; M255-F336 HydrophobicContact SD-CE1 4.23Å; L297-F336 HydrophobicContact CD1-CD1 4.05Å; L297-F336 HydrophobicContact CD1-CE1 3.59Å; L297-F336 HydrophobicContact CD1-CZ 4.27Å; L297-F336 HydrophobicContact CD2-CD1 3.67Å; L297-F336 HydrophobicContact CD2-CD2 4.34Å; L297-F336 HydrophobicContact CD2-CE1 3.72Å; L297-F336 HydrophobicContact CD2-CE2 4.31Å; L297-F336 HydrophobicContact CD2-CG 4Å; L297-F336 HydrophobicContact CD2-CZ 4.04Å; L297-F336 HydrophobicContact CG-CE1 4.34Å; D334-F336 PolarHBondContact O-N 3.08Å; D334-F336 VanDerWaalsContact O-N 3.15Å; D334-F336 WeakPolarHBondContact OD1-CB 3.42Å; D334-F336 PolarHBondContact OD1-N 3.42Å; F336-I338 PolarHBondContact O-N 2.91Å
337	R	81.9	Confident	71.7	Confident	168 Å²	168	77.5 Å²	77.5	63%	0.634	45%	0.445	S	S	*	.	B	Isolated β-bridge	trans	-67.4	118.1	178.5	-172.8	178.8	180	94.8	1.1	109	W219 D334 D339	W219-R337 WeakPolarHBondContact O-CA 3.4Å; D334-R337 HydrophobicContact CB-CB 4Å; D334-R337 WeakPolarHBondContact O-CB 3.5Å; D334-R337 PolarHBondContact O-N 2.88Å; D334-R337 VanDerWaalsContact O-N 3.13Å; R337-D339 PolarHBondContact O-N 3.27Å
338	I	74	Confident	70.8	Confident	26 Å²	26	75.8 Å²	75.8	13%	0.133	44%	0.436	C	S	.	.			trans	-82.7	105.9	174.9	-60.1	168.8	0	0	0	107.2	W219 A221 F305 F336 A340 A343 L347 F351	W219-I338 PolarHBondContact O-N 3.38Å; A221-I338 HydrophobicContact CB-CD1 4.24Å; F305-I338 HydrophobicContact CE2-CD1 4.13Å; F305-I338 HydrophobicContact CZ-CD1 3.76Å; F336-I338 PolarHBondContact O-N 2.91Å; I338-A340 PolarHBondContact O-N 3.27Å; I338-A343 HydrophobicContact CG2-CB 4.31Å; I338-L347 HydrophobicContact CG2-CD2 4.45Å; I338-F351 HydrophobicContact CB-CE2 4.24Å; I338-F351 HydrophobicContact CB-CZ 4.17Å; I338-F351 HydrophobicContact CD1-CD2 4.17Å; I338-F351 HydrophobicContact CD1-CE2 3.52Å; I338-F351 HydrophobicContact CD1-CZ 4.24Å; I338-F351 HydrophobicContact CG1-CE2 4.48Å; I338-F351 HydrophobicContact CG2-CD2 4.38Å; I338-F351 HydrophobicContact CG2-CE1 4.29Å; I338-F351 HydrophobicContact CG2-CE2 4.01Å; I338-F351 HydrophobicContact CG2-CZ 3.99Å
339	D	60.9	Low	70.1	Confident	92 Å²	92	78.2 Å²	78.2	49%	0.492	45%	0.453	S	S	.	.			trans	-79.6	115.9	168.5	-169	-17.1	0	0	0	109.1	R337 A341 A342 A343	R337-D339 PolarHBondContact O-N 3.27Å; D339-A341 PolarHBondContact O-N 3Å; D339-A341 WeakPolarHBondContact OD1-CB 3.49Å; D339-A341 PolarHBondContact OD1-N 2.83Å; D339-A342 HydrophobicContact CB-CB 3.94Å; D339-A342 PolarHBondContact O-N 3.3Å; D339-A342 VanDerWaalsContact O-N 3.11Å; D339-A343 PolarHBondContact O-N 2.52Å
340	A	54.5	Low	69.8	Low	55 Å²	55	73.1 Å²	73.1	46%	0.455	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.3	178.8	0	0	0	0	0	112.5	I338 M348	I338-A340 PolarHBondContact O-N 3.27Å; A340-M348 HydrophobicContact CB-CE 4.41Å; A340-M348 HydrophobicContact CB-SD 4.02Å; A340-M348 WeakPolarHBondContact O-CE 3.49Å
341	A	49	Very low	69.5	Low	93 Å²	93	67.9 Å²	67.9	77%	0.769	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-31.4	176.9	0	0	0	0	0	112.9	D339	D339-A341 PolarHBondContact O-N 3Å; D339-A341 WeakPolarHBondContact OD1-CB 3.49Å; D339-A341 PolarHBondContact OD1-N 2.83Å
342	A	52.8	Low	69.5	Low	82 Å²	82	66 Å²	66	68%	0.678	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-19.2	-176.4	0	0	0	0	0	113.9	D339	D339-A342 HydrophobicContact CB-CB 3.94Å; D339-A342 PolarHBondContact O-N 3.3Å; D339-A342 VanDerWaalsContact O-N 3.11Å
343	A	54	Low	69.6	Low	20 Å²	20	67.1 Å²	67.1	17%	0.165	37%	0.369	C	S	.	.	S	Bend	trans	-81.1	137.8	-175.1	0	0	0	0	0	113.3	I338 D339 L347 M348	I338-A343 HydrophobicContact CG2-CB 4.31Å; D339-A343 PolarHBondContact O-N 2.52Å; A343-L347 HydrophobicContact CB-CD2 3.63Å; A343-M348 HydrophobicContact CB-CE 3.07Å
344	M	57.9	Low	69.7	Low	104 Å²	104	67.3 Å²	67.3	51%	0.512	37%	0.369	S	S	.	.			trans	-53.2	149.4	-174.9	-76.3	-66.9	-72.5	0	0	114	L346 L347 M348	M344-L346 VanDerWaalsContact C-N 3.3Å; M344-L346 PolarHBondContact O-N 2.73Å; M344-L347 PolarHBondContact O-N 3.48Å; M344-M348 WeakPolarHBondContact O-CB 3.37Å; M344-M348 PolarHBondContact O-N 3.15Å
345	P	63.6	Low	69.7	Low	101 Å²	101	65.2 Å²	65.2	66%	0.656	36%	0.357	S	S	*	.	H	α-helix	trans	-51.6	-39.1	-174	-28.1	33.4	0	0	0	115.5	M348 S349	P345-M348 PolarHBondContact O-N 3.29Å; P345-S349 WeakPolarHBondContact O-CB 3.37Å; P345-S349 PolarHBondContact O-N 3.48Å
346	L	63.7	Low	69.6	Low	133 Å²	133	68.7 Å²	68.7	70%	0.696	38%	0.375	S	S	*	.	H	α-helix	trans	-71.4	-43.3	178.7	-69.4	175.2	0	0	0	112.7	M344 M348 S349 W350	M344-L346 VanDerWaalsContact C-N 3.3Å; M344-L346 PolarHBondContact O-N 2.73Å; L346-M348 PolarHBondContact O-N 2.98Å; L346-S349 PolarHBondContact O-N 2.88Å; L346-W350 PolarHBondContact O-N 3.25Å; L346-W350 VanDerWaalsContact O-N 3.14Å
347	L	66.1	Low	69.7	Low	3 Å²	3	69 Å²	69	2%	0.016	38%	0.38	C	S	.	.	H	α-helix	trans	-64.4	-36.5	174.4	-162.5	130.9	0	0	0	109.5	T301 E302 F305 I338 A343 M344 W350 F351	T301-L347 HydrophobicContact CG2-CD1 4.34Å; E302-L347 HydrophobicContact CG-CD1 3.7Å; F305-L347 HydrophobicContact CD2-CD1 3.59Å; F305-L347 HydrophobicContact CD2-CD2 4.34Å; F305-L347 HydrophobicContact CD2-CG 3.83Å; F305-L347 HydrophobicContact CE2-CD1 3.97Å; F305-L347 HydrophobicContact CE2-CD2 4.02Å; F305-L347 HydrophobicContact CE2-CG 4.03Å; I338-L347 HydrophobicContact CG2-CD2 4.45Å; A343-L347 HydrophobicContact CB-CD2 3.63Å; M344-L347 PolarHBondContact O-N 3.48Å; L347-W350 PolarHBondContact O-N 3.47Å; L347-F351 WeakPolarHBondContact O-CB 3.26Å; L347-F351 PolarHBondContact O-N 3.1Å
348	M	65.2	Low	70.1	Confident	21 Å²	21	61 Å²	61	10%	0.103	35%	0.35	C	S	.	.	H	α-helix	trans	-70.8	-41.6	179.4	-152	38.3	54.6	0	0	112.8	A340 A343 M344 P345 L346 W350 F351 I352	A340-M348 HydrophobicContact CB-CE 4.41Å; A340-M348 HydrophobicContact CB-SD 4.02Å; A340-M348 WeakPolarHBondContact O-CE 3.49Å; A343-M348 HydrophobicContact CB-CE 3.07Å; M344-M348 WeakPolarHBondContact O-CB 3.37Å; M344-M348 PolarHBondContact O-N 3.15Å; P345-M348 PolarHBondContact O-N 3.29Å; L346-M348 PolarHBondContact O-N 2.98Å; M348-W350 PolarHBondContact O-N 2.94Å; M348-F351 PolarHBondContact O-N 3.48Å; M348-F351 HydrophobicContact SD-CB 4.47Å; M348-F351 HydrophobicContact SD-CD1 4.28Å; M348-I352 HydrophobicContact CG-CD1 3.88Å; M348-I352 HydrophobicContact CG-CG1 4.38Å; M348-I352 VanDerWaalsContact O-CB 3.26Å; M348-I352 WeakPolarHBondContact O-CB 3.43Å; M348-I352 WeakPolarHBondContact O-CD1 3.48Å; M348-I352 WeakPolarHBondContact O-CG1 3.29Å; M348-I352 PolarHBondContact O-N 3.41Å; M348-I352 HydrophobicContact SD-CD1 4.31Å; M348-I352 HydrophobicContact SD-CG1 4.21Å
349	S	69.9	Low	70.8	Confident	80 Å²	80	64.5 Å²	64.5	56%	0.559	36%	0.361	S	S	*	.	H	α-helix	trans	-60	-46.3	172.4	179	0	0	0	0	111.9	P345 L346 R353	P345-S349 WeakPolarHBondContact O-CB 3.37Å; P345-S349 PolarHBondContact O-N 3.48Å; L346-S349 PolarHBondContact O-N 2.88Å; S349-R353 WeakPolarHBondContact O-CB 3.33Å; S349-R353 PolarHBondContact O-N 2.95Å
350	W	75.1	Confident	72.1	Confident	47 Å²	47	65.2 Å²	65.2	18%	0.178	37%	0.369	C	S	.	.	H	α-helix	trans	-61.7	-47.2	175.9	-173.8	100.5	0	0	0	111.4	L185 F224 F305 L346 L347 M348 R353 R354	L185-W350 HydrophobicContact CD1-CZ2 3.81Å; F224-W350 HydrophobicContact CB-CH2 4.06Å; F224-W350 HydrophobicContact CB-CZ3 4.49Å; F224-W350 HydrophobicContact CD1-CH2 4.5Å; F224-W350 HydrophobicContact CD1-CZ3 4.44Å; F224-W350 HydrophobicContact CG-CH2 4.31Å; F224-W350 HydrophobicContact CG-CZ3 4.3Å; F305-W350 HydrophobicContact CB-CD2 4.32Å; F305-W350 HydrophobicContact CB-CE3 4.39Å; F305-W350 HydrophobicContact CB-CZ2 4.49Å; F305-W350 HydrophobicContact CD1-CD2 4.35Å; F305-W350 AromaticContact CD1-CE3 3.74Å; F305-W350 HydrophobicContact CD1-CE3 3.74Å; F305-W350 AromaticContact CD1-CH2 3.24Å; F305-W350 HydrophobicContact CD1-CH2 3.24Å; F305-W350 AromaticContact CD1-CZ2 3.86Å; F305-W350 HydrophobicContact CD1-CZ2 3.86Å; F305-W350 AromaticContact CD1-CZ3 3.17Å; F305-W350 HydrophobicContact CD1-CZ3 3.17Å; F305-W350 HydrophobicContact CE1-CE3 4.06Å; F305-W350 AromaticContact CE1-CH2 3.57Å; F305-W350 HydrophobicContact CE1-CH2 3.57Å; F305-W350 AromaticContact CE1-CZ3 3.24Å; F305-W350 HydrophobicContact CE1-CZ3 3.24Å; F305-W350 HydrophobicContact CG-CD2 4.42Å; F305-W350 HydrophobicContact CG-CE3 4.01Å; F305-W350 HydrophobicContact CG-CH2 4.2Å; F305-W350 AromaticContact CG-CZ3 3.92Å; F305-W350 HydrophobicContact CG-CZ3 3.92Å; F305-W350 HydrophobicContact CZ-CZ3 4.02Å; F305-W350 PolarHBondContact O-NE1 2.84Å; L346-W350 PolarHBondContact O-N 3.25Å; L346-W350 VanDerWaalsContact O-N 3.14Å; L347-W350 PolarHBondContact O-N 3.47Å; M348-W350 PolarHBondContact O-N 2.94Å; W350-R353 PolarHBondContact O-N 3.44Å; W350-R354 HydrophobicContact CD2-CG 4.05Å; W350-R354 HydrophobicContact CE3-CG 3.92Å; W350-R354 HydrophobicContact CH2-CG 3.82Å; W350-R354 HydrophobicContact CZ2-CG 4Å; W350-R354 HydrophobicContact CZ3-CB 4.35Å; W350-R354 HydrophobicContact CZ3-CG 3.77Å; W350-R354 VanDerWaalsContact O-CG 3.31Å; W350-R354 WeakPolarHBondContact O-CG 3.24Å; W350-R354 PolarHBondContact O-N 2.92Å; W350-R354 VanDerWaalsContact O-N 3.07Å
351	F	75.2	Confident	73.8	Confident	8 Å²	8	64.1 Å²	64.1	4%	0.035	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-47.2	-178	-166.3	-103.1	0	0	0	112	F224 I338 L347 M348 R353 R354 L355	F224-F351 HydrophobicContact CD2-CE2 4.23Å; F224-F351 AromaticContact CE2-CD2 3.89Å; F224-F351 HydrophobicContact CE2-CD2 3.89Å; F224-F351 AromaticContact CE2-CE2 3.22Å; F224-F351 HydrophobicContact CE2-CE2 3.22Å; F224-F351 AromaticContact CE2-CZ 3.96Å; F224-F351 HydrophobicContact CE2-CZ 3.96Å; F224-F351 AromaticContact CZ-CD2 3.89Å; F224-F351 HydrophobicContact CZ-CD2 3.89Å; F224-F351 AromaticContact CZ-CE2 3.43Å; F224-F351 HydrophobicContact CZ-CE2 3.43Å; F224-F351 VanDerWaalsContact CZ-CE2 3.43Å; F224-F351 AromaticContact CZ-CZ 3.95Å; F224-F351 HydrophobicContact CZ-CZ 3.95Å; I338-F351 HydrophobicContact CB-CE2 4.24Å; I338-F351 HydrophobicContact CB-CZ 4.17Å; I338-F351 HydrophobicContact CD1-CD2 4.17Å; I338-F351 HydrophobicContact CD1-CE2 3.52Å; I338-F351 HydrophobicContact CD1-CZ 4.24Å; I338-F351 HydrophobicContact CG1-CE2 4.48Å; I338-F351 HydrophobicContact CG2-CD2 4.38Å; I338-F351 HydrophobicContact CG2-CE1 4.29Å; I338-F351 HydrophobicContact CG2-CE2 4.01Å; I338-F351 HydrophobicContact CG2-CZ 3.99Å; L347-F351 WeakPolarHBondContact O-CB 3.26Å; L347-F351 PolarHBondContact O-N 3.1Å; M348-F351 PolarHBondContact O-N 3.48Å; M348-F351 HydrophobicContact SD-CB 4.47Å; M348-F351 HydrophobicContact SD-CD1 4.28Å; F351-R353 VanDerWaalsContact C-N 3.32Å; F351-R353 PolarHBondContact O-N 3.4Å; F351-R354 CarbonylContact O-C 3.59Å; F351-R354 PolarHBondContact O-N 3.18Å; F351-L355 HydrophobicContact CD1-CD1 3.55Å; F351-L355 HydrophobicContact CD1-CG 4.17Å; F351-L355 HydrophobicContact CE1-CD1 3.18Å; F351-L355 HydrophobicContact CE1-CG 4.02Å; F351-L355 HydrophobicContact CZ-CD1 3.91Å; F351-L355 HydrophobicContact CZ-CG 4.45Å; F351-L355 WeakPolarHBondContact O-CB 3.44Å; F351-L355 PolarHBondContact O-N 2.72Å
352	I	75.1	Confident	75.8	Confident	67 Å²	67	60.2 Å²	60.2	34%	0.344	32%	0.324	S	S	.	.	H	α-helix	trans	-58.9	-44.2	175.9	-70.1	166.5	0	0	0	110.4	M348 R354 L355 D356	M348-I352 HydrophobicContact CG-CD1 3.88Å; M348-I352 HydrophobicContact CG-CG1 4.38Å; M348-I352 VanDerWaalsContact O-CB 3.26Å; M348-I352 WeakPolarHBondContact O-CB 3.43Å; M348-I352 WeakPolarHBondContact O-CD1 3.48Å; M348-I352 WeakPolarHBondContact O-CG1 3.29Å; M348-I352 PolarHBondContact O-N 3.41Å; M348-I352 HydrophobicContact SD-CD1 4.31Å; M348-I352 HydrophobicContact SD-CG1 4.21Å; I352-R354 PolarHBondContact O-N 3.4Å; I352-L355 CarbonylContact O-C 3.59Å; I352-L355 PolarHBondContact O-N 2.83Å; I352-L355 VanDerWaalsContact O-N 3.15Å; I352-D356 PolarHBondContact O-N 3.38Å
353	R	79.8	Confident	77.6	Confident	186 Å²	186	60.7 Å²	60.7	70%	0.702	32%	0.318	S	S	*	.	H	α-helix	trans	-62.5	-32.6	177.1	-174.1	179.1	175.6	-165.3	1.2	112.3	S349 W350 F351	S349-R353 WeakPolarHBondContact O-CB 3.33Å; S349-R353 PolarHBondContact O-N 2.95Å; W350-R353 PolarHBondContact O-N 3.44Å; F351-R353 VanDerWaalsContact C-N 3.32Å; F351-R353 PolarHBondContact O-N 3.4Å
354	R	83.4	Confident	79.2	Confident	48 Å²	48	61.7 Å²	61.7	18%	0.181	32%	0.319	C	S	.	.	H	α-helix	trans	-80.3	-26.5	176	-65.7	-69.2	176.3	-104.2	0.1	112.8	F224 W350 F351 I352 D356	F224-R354 HydrophobicContact CD1-CB 4Å; F224-R354 HydrophobicContact CE1-CB 3.73Å; W350-R354 HydrophobicContact CD2-CG 4.05Å; W350-R354 HydrophobicContact CE3-CG 3.92Å; W350-R354 HydrophobicContact CH2-CG 3.82Å; W350-R354 HydrophobicContact CZ2-CG 4Å; W350-R354 HydrophobicContact CZ3-CB 4.35Å; W350-R354 HydrophobicContact CZ3-CG 3.77Å; W350-R354 VanDerWaalsContact O-CG 3.31Å; W350-R354 WeakPolarHBondContact O-CG 3.24Å; W350-R354 PolarHBondContact O-N 2.92Å; W350-R354 VanDerWaalsContact O-N 3.07Å; F351-R354 CarbonylContact O-C 3.59Å; F351-R354 PolarHBondContact O-N 3.18Å; I352-R354 PolarHBondContact O-N 3.4Å; R354-D356 VanDerWaalsContact C-N 3.33Å
355	L	86	Confident	80.7	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-84.6	-3.1	173.6	-74	-175.1	0	0	0	113.9	F116 P217 F224 F351 I352 A357 W358	F116-L355 HydrophobicContact CD1-CB 3.9Å; F116-L355 WeakPolarHBondContact CD1-O 3.3Å; F116-L355 HydrophobicContact CD2-CD1 3.83Å; F116-L355 HydrophobicContact CE1-CB 3.53Å; F116-L355 HydrophobicContact CE1-CD1 4.45Å; F116-L355 WeakPolarHBondContact CE1-O 3.37Å; F116-L355 HydrophobicContact CE2-CB 4.23Å; F116-L355 HydrophobicContact CE2-CD1 3.7Å; F116-L355 HydrophobicContact CG-CB 4.38Å; F116-L355 HydrophobicContact CG-CD1 4.26Å; F116-L355 HydrophobicContact CZ-CB 3.71Å; F116-L355 HydrophobicContact CZ-CD1 4.02Å; P217-L355 HydrophobicContact CB-CD2 4.25Å; F224-L355 HydrophobicContact CE1-CD2 4.29Å; F224-L355 HydrophobicContact CZ-CD2 3.96Å; F224-L355 HydrophobicContact CZ-CG 4.29Å; F351-L355 HydrophobicContact CD1-CD1 3.55Å; F351-L355 HydrophobicContact CD1-CG 4.17Å; F351-L355 HydrophobicContact CE1-CD1 3.18Å; F351-L355 HydrophobicContact CE1-CG 4.02Å; F351-L355 HydrophobicContact CZ-CD1 3.91Å; F351-L355 HydrophobicContact CZ-CG 4.45Å; F351-L355 WeakPolarHBondContact O-CB 3.44Å; F351-L355 PolarHBondContact O-N 2.72Å; I352-L355 CarbonylContact O-C 3.59Å; I352-L355 PolarHBondContact O-N 2.83Å; I352-L355 VanDerWaalsContact O-N 3.15Å; L355-A357 VanDerWaalsContact C-N 3.27Å; L355-A357 PolarHBondContact O-N 3.28Å; L355-W358 HydrophobicContact CD2-CB 4.47Å; L355-W358 HydrophobicContact CD2-CG 4.03Å; L355-W358 WeakPolarHBondContact O-CA 3.45Å; L355-W358 WeakPolarHBondContact O-CB 3.46Å; L355-W358 PolarHBondContact O-N 3.41Å
356	D	85.9	Confident	81.7	Confident	88 Å²	88	59.1 Å²	59.1	47%	0.471	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-58.2	-39.8	-176	-157.2	54.8	0	0	0	112.7	I352 R354 W358 R359	I352-D356 PolarHBondContact O-N 3.38Å; R354-D356 VanDerWaalsContact C-N 3.33Å; D356-W358 PolarHBondContact O-N 2.93Å; D356-R359 WeakPolarHBondContact O-CB 3.3Å; D356-R359 WeakPolarHBondContact O-CG 3.3Å; D356-R359 PolarHBondContact O-N 2.76Å; D356-R359 VanDerWaalsContact OD1-CD 3.26Å; D356-R359 WeakPolarHBondContact OD1-CD 3.3Å; D356-R359 IonicContact OD1-CZ 3.85Å; D356-R359 IonicContact OD1-NE 2.8Å; D356-R359 PolarHBondContact OD1-NE 2.8Å
357	A	89.1	Confident	82.9	Confident	20 Å²	20	58.2 Å²	58.2	17%	0.165	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-62.4	-11	172.8	0	0	0	0	0	114.6	G197 R199 L355	G197-A357 WeakPolarHBondContact O-CB 3.25Å; R199-A357 HydrophobicContact CG-CB 3.73Å; R199-A357 PolarHBondContact NE-O 2.86Å; R199-A357 VanDerWaalsContact NE-O 3.07Å; L355-A357 VanDerWaalsContact C-N 3.27Å; L355-A357 PolarHBondContact O-N 3.28Å
358	W	91	Very high	84.1	Confident	1 Å²	1	60.8 Å²	60.8	0%	0.004	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-98.4	-5.5	178.2	-61.6	79	0	0	0	113.2	F116 H117 H179 R199 V201 W205 P217 P218 L355 D356	F116-W358 WeakPolarHBondContact CA-O 3.5Å; F116-W358 HydrophobicContact CB-CB 4.09Å; F116-W358 HydrophobicContact CD1-CB 3.99Å; F116-W358 HydrophobicContact CG-CB 4.42Å; H117-W358 PolarHBondContact N-O 3.18Å; H179-W358 AromaticContact NE2-CH2 3.75Å; R199-W358 HydrophobicContact CB-CZ2 3.87Å; R199-W358 HydrophobicContact CG-CD2 4.2Å; R199-W358 HydrophobicContact CG-CG 4.46Å; R199-W358 HydrophobicContact CG-CZ2 3.95Å; R199-W358 VanDerWaalsContact CZ-CE3 3.46Å; V201-W358 HydrophobicContact CG1-CZ2 3.86Å; W205-W358 AromaticContact CE2-CH2 3.72Å; W205-W358 HydrophobicContact CH2-CH2 4.09Å; W205-W358 AromaticContact CZ2-CH2 3.32Å; W205-W358 HydrophobicContact CZ2-CH2 3.32Å; W205-W358 HydrophobicContact CZ2-CZ2 4.16Å; W205-W358 HydrophobicContact CZ2-CZ3 4.16Å; W205-W358 AromaticContact NE1-CH2 3.96Å; P217-W358 HydrophobicContact CB-CB 4.31Å; P217-W358 HydrophobicContact CB-CD2 3.85Å; P217-W358 HydrophobicContact CB-CE3 3.63Å; P217-W358 HydrophobicContact CB-CG 4.15Å; P217-W358 HydrophobicContact CB-CZ3 4.32Å; P218-W358 HydrophobicContact CG-CZ2 3.92Å; L355-W358 HydrophobicContact CD2-CB 4.47Å; L355-W358 HydrophobicContact CD2-CG 4.03Å; L355-W358 WeakPolarHBondContact O-CA 3.45Å; L355-W358 WeakPolarHBondContact O-CB 3.46Å; L355-W358 PolarHBondContact O-N 3.41Å; D356-W358 PolarHBondContact O-N 2.93Å
359	R	87.8	Confident	85.1	Confident	100 Å²	100	63.5 Å²	63.5	38%	0.377	34%	0.335	S	S	.	.	S	Bend	trans	-66.5	-32.5	169.7	-64.8	177	-178.7	-91.2	-4.4	111.3	V114 F116 D356 P361	V114-R359 VanDerWaalsContact CG1-CZ 3.48Å; F116-R359 HydrophobicContact CD1-CG 4.07Å; F116-R359 HydrophobicContact CE1-CG 3.84Å; D356-R359 WeakPolarHBondContact O-CB 3.3Å; D356-R359 WeakPolarHBondContact O-CG 3.3Å; D356-R359 PolarHBondContact O-N 2.76Å; D356-R359 VanDerWaalsContact OD1-CD 3.26Å; D356-R359 WeakPolarHBondContact OD1-CD 3.3Å; D356-R359 IonicContact OD1-CZ 3.85Å; D356-R359 IonicContact OD1-NE 2.8Å; D356-R359 PolarHBondContact OD1-NE 2.8Å; R359-P361 WeakPolarHBondContact O-CD 3.26Å
360	V	88.3	Confident	86.1	Confident	107 Å²	107	66 Å²	66	65%	0.648	34%	0.336	S	S	*	.	S	Bend	trans	-88.9	113.1	175.4	-175.6	0	0	0	0	108.3	R199	R199-V360 PolarHBondContact NH2-O 2.8Å
361	P	90.3	Very high	86.9	Confident	32 Å²	32	66.4 Å²	66.4	21%	0.208	35%	0.349	C	S	.	.			trans	-67.6	151.8	178	25.7	-31.9	0	0	0	111.9	H117 D120 R359 T363	H117-P361 HydrophobicContact CB-CB 3.83Å; D120-P361 VanDerWaalsContact CA-CB 3.44Å; D120-P361 HydrophobicContact CB-CB 3.84Å; D120-P361 HydrophobicContact CB-CG 4Å; R359-P361 WeakPolarHBondContact O-CD 3.26Å; P361-T363 PolarHBondContact O-N 3.03Å
362	V	92.2	Very high	87.7	Confident	11 Å²	11	66.4 Å²	66.4	7%	0.067	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-72.9	128	168.1	175	0	0	0	0	109.1	G118 H119 D120 L215	G118-V362 WeakPolarHBondContact O-CB 3.32Å; G118-V362 PolarHBondContact O-N 3.48Å; H119-V362 WeakPolarHBondContact CA-O 3.34Å; D120-V362 PolarHBondContact N-O 2.98Å; D120-V362 VanDerWaalsContact N-O 3.12Å; L215-V362 HydrophobicContact CD2-CB 4.17Å; L215-V362 HydrophobicContact CD2-CG2 3.99Å
363	T	89.4	Confident	88.4	Confident	92 Å²	92	64.7 Å²	64.7	56%	0.564	35%	0.347	S	S	*	.			trans	-113.2	159.2	174.9	58.5	0	0	0	0	110	D120 P361	D120-T363 HydrophobicContact CB-CG2 4.19Å; P361-T363 PolarHBondContact O-N 3.03Å
364	F	89.1	Confident	88.9	Confident	40 Å²	40	62.3 Å²	62.3	18%	0.175	34%	0.342	C	S	.	.			trans	-151.5	157.1	179.3	64.5	-98.7	0	0	0	109.8	L123 I130 I137 T368 W369	L123-F364 HydrophobicContact CD1-CD1 3.92Å; L123-F364 HydrophobicContact CD1-CE1 3.63Å; L123-F364 HydrophobicContact CD1-CZ 4.19Å; I130-F364 HydrophobicContact CD1-CE1 3.78Å; I130-F364 HydrophobicContact CD1-CZ 4.28Å; I130-F364 HydrophobicContact CG1-CE1 3.91Å; I130-F364 HydrophobicContact CG1-CZ 3.9Å; I137-F364 HydrophobicContact CD1-CB 4.48Å; I137-F364 HydrophobicContact CD1-CD1 4.3Å; I137-F364 HydrophobicContact CD1-CD2 3.55Å; I137-F364 HydrophobicContact CD1-CE1 4.43Å; I137-F364 HydrophobicContact CD1-CE2 3.74Å; I137-F364 HydrophobicContact CD1-CG 3.86Å; I137-F364 HydrophobicContact CD1-CZ 4.19Å; I137-F364 HydrophobicContact CG1-CB 4.12Å; I137-F364 HydrophobicContact CG1-CD1 4.14Å; I137-F364 HydrophobicContact CG1-CD2 4.08Å; I137-F364 HydrophobicContact CG1-CG 3.86Å; I137-F364 HydrophobicContact CG2-CD1 3.69Å; I137-F364 HydrophobicContact CG2-CE1 3.64Å; I137-F364 HydrophobicContact CG2-CG 4.29Å; I137-F364 HydrophobicContact CG2-CZ 4.22Å; F364-T368 WeakPolarHBondContact CB-OG1 3.41Å; F364-W369 HydrophobicContact CD2-CB 4.44Å; F364-W369 HydrophobicContact CE2-CB 4.42Å
365	T	88.3	Confident	89.3	Confident	81 Å²	81	63.7 Å²	63.7	50%	0.497	35%	0.349	S	S	.	.			trans	-100	165.1	178.7	69	0	0	0	0	111.6	D367 T368 W369	T365-D367 PolarHBondContact O-N 3.42Å; T365-D367 PolarHBondContact OG1-N 2.93Å; T365-T368 PolarHBondContact N-OG1 2.69Å; T365-T368 PolarHBondContact O-N 3Å; T365-T368 VanDerWaalsContact O-N 3.15Å; T365-T368 PolarHBondContact O-OG1 2.63Å; T365-T368 PolarHBondContact OG1-N 3.06Å; T365-W369 PolarHBondContact O-N 2.67Å
366	A	85.6	Confident	89.3	Confident	70 Å²	70	65.3 Å²	65.3	58%	0.579	36%	0.355	S	S	*	.	H	α-helix	trans	-56.5	-33.1	173.6	0	0	0	0	0	112.6	W369 K370	A366-W369 WeakPolarHBondContact O-CB 3.21Å; A366-W369 PolarHBondContact O-N 3.31Å; A366-K370 WeakPolarHBondContact O-CG 3.29Å; A366-K370 PolarHBondContact O-N 3.27Å
367	D	88.9	Confident	89.3	Confident	114 Å²	114	67.7 Å²	67.7	61%	0.61	36%	0.358	S	S	*	.	H	α-helix	trans	-70.6	-41.5	177.6	-62.6	-36.9	0	0	0	112.2	T365 W369 K370 A371	T365-D367 PolarHBondContact O-N 3.42Å; T365-D367 PolarHBondContact OG1-N 2.93Å; D367-W369 PolarHBondContact O-N 3.15Å; D367-K370 PolarHBondContact O-N 3.46Å; D367-A371 VanDerWaalsContact O-CB 3.3Å; D367-A371 WeakPolarHBondContact O-CB 3.24Å; D367-A371 PolarHBondContact O-N 2.95Å
368	T	89.6	Confident	89.1	Confident	57 Å²	57	72.9 Å²	72.9	35%	0.35	38%	0.377	S	S	.	.	H	α-helix	trans	-62.2	-34.9	173.4	57.1	0	0	0	0	111.7	F364 T365 A371 A372	F364-T368 WeakPolarHBondContact CB-OG1 3.41Å; T365-T368 PolarHBondContact N-OG1 2.69Å; T365-T368 PolarHBondContact O-N 3Å; T365-T368 VanDerWaalsContact O-N 3.15Å; T365-T368 PolarHBondContact O-OG1 2.63Å; T365-T368 PolarHBondContact OG1-N 3.06Å; T368-A371 PolarHBondContact O-N 2.72Å; T368-A372 VanDerWaalsContact O-CB 3.29Å; T368-A372 WeakPolarHBondContact O-CB 3.14Å; T368-A372 PolarHBondContact O-N 3.39Å
369	W	88	Confident	88.7	Confident	79 Å²	79	73.7 Å²	73.7	30%	0.299	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-49.6	174.5	-171	98.8	0	0	0	112.1	V128 P131 I137 F364 T365 A366 D367 A371 A372 A373	V128-W369 HydrophobicContact CG1-CZ2 3.91Å; P131-W369 HydrophobicContact CG-CZ2 4.5Å; I137-W369 HydrophobicContact CD1-CB 3.75Å; I137-W369 VanDerWaalsContact CD1-CD1 3.49Å; I137-W369 HydrophobicContact CD1-CG 3.93Å; F364-W369 HydrophobicContact CD2-CB 4.44Å; F364-W369 HydrophobicContact CE2-CB 4.42Å; T365-W369 PolarHBondContact O-N 2.67Å; A366-W369 WeakPolarHBondContact O-CB 3.21Å; A366-W369 PolarHBondContact O-N 3.31Å; D367-W369 PolarHBondContact O-N 3.15Å; W369-A371 VanDerWaalsContact C-N 3.3Å; W369-A371 PolarHBondContact O-N 3.49Å; W369-A372 PolarHBondContact O-N 3.49Å; W369-A373 HydrophobicContact CZ3-CB 4.37Å; W369-A373 WeakPolarHBondContact O-CB 3.15Å; W369-A373 PolarHBondContact O-N 3.02Å
370	K	90	Very high	88.1	Confident	132 Å²	132	71.3 Å²	71.3	57%	0.574	37%	0.374	S	S	*	.	H	α-helix	trans	-60.1	-41.5	176.3	-71.3	173.7	-176.3	172.9	0	111.5	A366 D367 K374	A366-K370 WeakPolarHBondContact O-CG 3.29Å; A366-K370 PolarHBondContact O-N 3.27Å; D367-K370 PolarHBondContact O-N 3.46Å; K370-K374 VanDerWaalsContact O-CB 3.3Å; K370-K374 WeakPolarHBondContact O-CB 3.4Å; K370-K374 PolarHBondContact O-N 3.37Å
371	A	92	Very high	87.3	Confident	55 Å²	55	70.1 Å²	70.1	46%	0.455	36%	0.361	S	S	.	.	H	α-helix	trans	-64.8	-45	178.2	0	0	0	0	0	112	D367 T368 W369 K374 K375	D367-A371 VanDerWaalsContact O-CB 3.3Å; D367-A371 WeakPolarHBondContact O-CB 3.24Å; D367-A371 PolarHBondContact O-N 2.95Å; T368-A371 PolarHBondContact O-N 2.72Å; W369-A371 VanDerWaalsContact C-N 3.3Å; W369-A371 PolarHBondContact O-N 3.49Å; A371-K374 PolarHBondContact O-N 2.98Å; A371-K375 VanDerWaalsContact O-CB 3.3Å; A371-K375 WeakPolarHBondContact O-CB 3.14Å; A371-K375 PolarHBondContact O-N 3.31Å
372	A	91.4	Very high	86.4	Confident	8 Å²	8	70.7 Å²	70.7	7%	0.066	36%	0.363	C	S	.	.	H	α-helix	trans	-61.6	-47.1	176.4	0	0	0	0	0	111.7	L134 T368 W369 K374 K375 R376	L134-A372 HydrophobicContact CD2-CB 4.42Å; T368-A372 VanDerWaalsContact O-CB 3.29Å; T368-A372 WeakPolarHBondContact O-CB 3.14Å; T368-A372 PolarHBondContact O-N 3.39Å; W369-A372 PolarHBondContact O-N 3.49Å; A372-K374 PolarHBondContact O-N 3.29Å; A372-K375 PolarHBondContact O-N 3.21Å; A372-R376 WeakPolarHBondContact O-CB 3.21Å; A372-R376 PolarHBondContact O-N 2.84Å
373	A	89.5	Confident	84.7	Confident	32 Å²	32	76.7 Å²	76.7	26%	0.264	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-45.1	176.7	0	0	0	0	0	112.1	L134 W369 K375 R376 Y377	L134-A373 HydrophobicContact CD1-CB 4.45Å; W369-A373 HydrophobicContact CZ3-CB 4.37Å; W369-A373 WeakPolarHBondContact O-CB 3.15Å; W369-A373 PolarHBondContact O-N 3.02Å; A373-K375 PolarHBondContact O-N 3.01Å; A373-R376 PolarHBondContact O-N 3.37Å; A373-Y377 WeakPolarHBondContact O-CB 3.49Å; A373-Y377 PolarHBondContact O-N 2.8Å
374	K	91.5	Very high	83.1	Confident	136 Å²	136	73 Å²	73	59%	0.591	38%	0.375	S	S	*	.	H	α-helix	trans	-62.6	-41.1	175.9	-175	176.6	-175.8	175.5	0	112	K370 A371 A372 Y377 K378	K370-K374 VanDerWaalsContact O-CB 3.3Å; K370-K374 WeakPolarHBondContact O-CB 3.4Å; K370-K374 PolarHBondContact O-N 3.37Å; A371-K374 PolarHBondContact O-N 2.98Å; A372-K374 PolarHBondContact O-N 3.29Å; K374-Y377 PolarHBondContact O-N 3.34Å; K374-K378 WeakPolarHBondContact O-CG 3.28Å; K374-K378 PolarHBondContact O-N 2.75Å
375	K	90.4	Very high	81.4	Confident	76 Å²	76	79.2 Å²	79.2	33%	0.33	40%	0.402	S	S	.	.	H	α-helix	trans	-64.7	-46.9	178.6	-170.7	179.2	-57.7	-170.6	0	111.2	A163 D168 A371 A372 A373 K378 I379	A163-K375 HydrophobicContact CB-CD 3.73Å; A163-K375 HydrophobicContact CB-CG 4.4Å; D168-K375 IonicContact OD1-NZ 2.62Å; D168-K375 PolarHBondContact OD1-NZ 3.11Å; A371-K375 VanDerWaalsContact O-CB 3.3Å; A371-K375 WeakPolarHBondContact O-CB 3.14Å; A371-K375 PolarHBondContact O-N 3.31Å; A372-K375 PolarHBondContact O-N 3.21Å; A373-K375 PolarHBondContact O-N 3.01Å; K375-K378 PolarHBondContact O-N 2.63Å; K375-I379 HydrophobicContact CG-CD1 4.09Å; K375-I379 WeakPolarHBondContact O-CG1 3.48Å; K375-I379 PolarHBondContact O-N 2.97Å
376	R	86.9	Confident	79.8	Confident	40 Å²	40	78.3 Å²	78.3	15%	0.151	39%	0.393	C	S	.	.	H	α-helix	trans	-57.7	-49.3	174	-179.6	-179.1	179.5	103.4	0.4	111.6	E133 L134 Q164 A372 A373 K378 I379 E380	E133-R376 PolarHBondContact O-NH1 2.91Å; L134-R376 HydrophobicContact CD2-CB 4.36Å; Q164-R376 HydrophobicContact CG-CG 4.39Å; Q164-R376 WeakPolarHBondContact O-CD 3.24Å; Q164-R376 WeakPolarHBondContact O-CG 3.47Å; Q164-R376 PolarHBondContact O-NH1 3.37Å; A372-R376 WeakPolarHBondContact O-CB 3.21Å; A372-R376 PolarHBondContact O-N 2.84Å; A373-R376 PolarHBondContact O-N 3.37Å; R376-K378 VanDerWaalsContact C-N 3.29Å; R376-K378 PolarHBondContact O-N 3.08Å; R376-I379 PolarHBondContact O-N 2.85Å; R376-I379 VanDerWaalsContact O-N 3.09Å; R376-E380 HydrophobicContact CG-CG 4.26Å; R376-E380 IonicContact CZ-OE1 3.03Å; R376-E380 IonicContact NE-OE1 3.03Å; R376-E380 PolarHBondContact NE-OE1 2.85Å; R376-E380 IonicContact NE-OE2 3.8Å; R376-E380 IonicContact NH2-OE1 3.3Å; R376-E380 PolarHBondContact NH2-OE1 2.77Å; R376-E380 WeakPolarHBondContact O-CG 3.06Å; R376-E380 PolarHBondContact O-N 3.37Å
377	Y	85.4	Confident	78.2	Confident	138 Å²	138	77.6 Å²	77.6	54%	0.541	38%	0.377	S	S	.	.	H	α-helix	trans	-55	-46.3	178.7	-179.7	-92.9	0	0	0	111.5	A373 K374 I379 E380 H381	A373-Y377 WeakPolarHBondContact O-CB 3.49Å; A373-Y377 PolarHBondContact O-N 2.8Å; K374-Y377 PolarHBondContact O-N 3.34Å; Y377-I379 PolarHBondContact O-N 3.36Å; Y377-E380 PolarHBondContact O-N 3.23Å; Y377-H381 AromaticContact CD2-CE1 3.5Å; Y377-H381 AromaticContact CD2-ND1 3.52Å; Y377-H381 HydrophobicContact CE1-CB 4.41Å; Y377-H381 AromaticContact CE2-CD2 3.97Å; Y377-H381 AromaticContact CE2-CE1 3.26Å; Y377-H381 WeakPolarHBondContact CE2-CE1 3.46Å; Y377-H381 AromaticContact CE2-CG 3.94Å; Y377-H381 AromaticContact CE2-ND1 3.49Å; Y377-H381 WeakPolarHBondContact CE2-ND1 3.48Å; Y377-H381 AromaticContact CE2-NE2 3.58Å; Y377-H381 AromaticContact CG-ND1 3.91Å; Y377-H381 AromaticContact CZ-CD2 3.88Å; Y377-H381 AromaticContact CZ-CE1 3.92Å; Y377-H381 AromaticContact CZ-CG 3.84Å; Y377-H381 AromaticContact CZ-ND1 3.85Å; Y377-H381 AromaticContact CZ-NE2 3.96Å; Y377-H381 WeakPolarHBondContact O-CB 3.49Å; Y377-H381 PolarHBondContact O-N 2.84Å; Y377-H381 PolarHBondContact O-ND1 2.92Å
378	K	85.1	Confident	76.1	Confident	130 Å²	130	76.4 Å²	76.4	57%	0.565	37%	0.374	S	S	*	.	H	α-helix	trans	-59.5	-45.8	175.6	-74.1	179.8	175.8	-167.9	0	112.6	K374 K375 R376 E380 H381 D382	K374-K378 WeakPolarHBondContact O-CG 3.28Å; K374-K378 PolarHBondContact O-N 2.75Å; K375-K378 PolarHBondContact O-N 2.63Å; R376-K378 VanDerWaalsContact C-N 3.29Å; R376-K378 PolarHBondContact O-N 3.08Å; K378-E380 VanDerWaalsContact C-N 3.34Å; K378-E380 PolarHBondContact O-N 3.39Å; K378-H381 PolarHBondContact O-N 3.06Å; K378-D382 WeakPolarHBondContact O-CB 3.3Å; K378-D382 PolarHBondContact O-N 3.07Å
379	I	82.2	Confident	74	Confident	17 Å²	17	77.9 Å²	77.9	9%	0.087	38%	0.376	C	S	.	.	H	α-helix	trans	-64.5	-39.5	179.9	-70.5	167.1	0	0	0	111.4	I160 A163 Q164 K375 R376 Y377 I386 F387	I160-I379 HydrophobicContact CG2-CG2 4.06Å; A163-I379 HydrophobicContact CB-CD1 3.66Å; Q164-I379 HydrophobicContact CB-CD1 4.41Å; Q164-I379 HydrophobicContact CB-CG2 4.23Å; Q164-I379 HydrophobicContact CG-CG2 4.21Å; K375-I379 HydrophobicContact CG-CD1 4.09Å; K375-I379 WeakPolarHBondContact O-CG1 3.48Å; K375-I379 PolarHBondContact O-N 2.97Å; R376-I379 PolarHBondContact O-N 2.85Å; R376-I379 VanDerWaalsContact O-N 3.09Å; Y377-I379 PolarHBondContact O-N 3.36Å; I379-I386 HydrophobicContact CG1-CD1 4.45Å; I379-I386 HydrophobicContact CG2-CG2 4.37Å; I379-F387 HydrophobicContact CG2-CD2 4.26Å; I379-F387 HydrophobicContact CG2-CE2 3.51Å; I379-F387 HydrophobicContact CG2-CZ 4.4Å
380	E	75.1	Confident	71.8	Confident	51 Å²	51	80 Å²	80	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-75.6	-27.4	-179.8	-70.6	-179.5	151.4	0	0	113.5	R376 Y377 K378	R376-E380 HydrophobicContact CG-CG 4.26Å; R376-E380 IonicContact CZ-OE1 3.03Å; R376-E380 IonicContact NE-OE1 3.03Å; R376-E380 PolarHBondContact NE-OE1 2.85Å; R376-E380 IonicContact NE-OE2 3.8Å; R376-E380 IonicContact NH2-OE1 3.3Å; R376-E380 PolarHBondContact NH2-OE1 2.77Å; R376-E380 WeakPolarHBondContact O-CG 3.06Å; R376-E380 PolarHBondContact O-N 3.37Å; Y377-E380 PolarHBondContact O-N 3.23Å; K378-E380 VanDerWaalsContact C-N 3.34Å; K378-E380 PolarHBondContact O-N 3.39Å
381	H	72.5	Confident	69.4	Low	81 Å²	81	79.3 Å²	79.3	38%	0.375	38%	0.384	S	S	.	.	H	α-helix	trans	-103.3	-0.4	-178.8	-67.4	73.4	0	0	0	113.8	Y377 K378	Y377-H381 AromaticContact CD2-CE1 3.5Å; Y377-H381 AromaticContact CD2-ND1 3.52Å; Y377-H381 HydrophobicContact CE1-CB 4.41Å; Y377-H381 AromaticContact CE2-CD2 3.97Å; Y377-H381 AromaticContact CE2-CE1 3.26Å; Y377-H381 WeakPolarHBondContact CE2-CE1 3.46Å; Y377-H381 AromaticContact CE2-CG 3.94Å; Y377-H381 AromaticContact CE2-ND1 3.49Å; Y377-H381 WeakPolarHBondContact CE2-ND1 3.48Å; Y377-H381 AromaticContact CE2-NE2 3.58Å; Y377-H381 AromaticContact CG-ND1 3.91Å; Y377-H381 AromaticContact CZ-CD2 3.88Å; Y377-H381 AromaticContact CZ-CE1 3.92Å; Y377-H381 AromaticContact CZ-CG 3.84Å; Y377-H381 AromaticContact CZ-ND1 3.85Å; Y377-H381 AromaticContact CZ-NE2 3.96Å; Y377-H381 WeakPolarHBondContact O-CB 3.49Å; Y377-H381 PolarHBondContact O-N 2.84Å; Y377-H381 PolarHBondContact O-ND1 2.92Å; K378-H381 PolarHBondContact O-N 3.06Å
382	D	71.8	Confident	67.3	Low	45 Å²	45	79.1 Å²	79.1	24%	0.241	38%	0.375	C	S	.	.	S	Bend	trans	-56.3	140	172.4	-178	66.4	0	0	0	109.8	K378 G384 K385 I386	K378-D382 WeakPolarHBondContact O-CB 3.3Å; K378-D382 PolarHBondContact O-N 3.07Å; D382-G384 PolarHBondContact O-N 2.99Å; D382-K385 WeakPolarHBondContact OD2-CA 3.42Å; D382-K385 WeakPolarHBondContact OD2-CB 3.23Å; D382-K385 PolarHBondContact OD2-N 3.28Å; D382-I386 HydrophobicContact CB-CB 4.32Å; D382-I386 HydrophobicContact CB-CD1 3.79Å; D382-I386 HydrophobicContact CB-CG1 4.19Å; D382-I386 WeakPolarHBondContact OD2-CB 3.25Å; D382-I386 VanDerWaalsContact OD2-CG1 3.26Å; D382-I386 WeakPolarHBondContact OD2-CG1 3.39Å; D382-I386 PolarHBondContact OD2-N 3.1Å
383	D	55.8	Low	65.4	Low	137 Å²	137	90.6 Å²	90.6	73%	0.733	42%	0.416	S	S	*	.			trans	-69.3	31	-169.1	-69.8	-41	0	0	0	113.9
384	G	55.2	Low	63.9	Low	15 Å²	15	92.7 Å²	92.7	16%	0.155	42%	0.423	C	S	.	.	S	Bend	trans	75.9	24.3	-172.7	0	0	0	0	0	113.3	D382 F387 V388	D382-G384 PolarHBondContact O-N 2.99Å; G384-F387 VanDerWaalsContact CA-O 3.22Å; G384-F387 WeakPolarHBondContact CA-O 3.35Å; G384-V388 WeakPolarHBondContact O-CA 3.37Å; G384-V388 WeakPolarHBondContact O-CG2 3.26Å; G384-V388 PolarHBondContact O-N 2.81Å
385	K	54.5	Low	62.7	Low	169 Å²	169	88 Å²	88	74%	0.735	41%	0.407	S	S	*	.	S	Bend	trans	-83	-41	172.4	-63.8	-178.3	-179.7	176.5	0	111.1	D382	D382-K385 WeakPolarHBondContact OD2-CA 3.42Å; D382-K385 WeakPolarHBondContact OD2-CB 3.23Å; D382-K385 PolarHBondContact OD2-N 3.28Å
386	I	53.9	Low	61.6	Low	62 Å²	62	89.7 Å²	89.7	32%	0.318	43%	0.426	S	S	.	.	S	Bend	trans	-80.6	-46.6	-179.8	-65.2	173.2	0	0	0	110	I160 I379 D382	I160-I386 HydrophobicContact CB-CG2 4.42Å; I160-I386 HydrophobicContact CD1-CG2 3.83Å; I160-I386 HydrophobicContact CG1-CG2 4.07Å; I160-I386 HydrophobicContact CG2-CG2 3.47Å; I160-I386 VanDerWaalsContact CG2-CG2 3.47Å; I379-I386 HydrophobicContact CG1-CD1 4.45Å; I379-I386 HydrophobicContact CG2-CG2 4.37Å; D382-I386 HydrophobicContact CB-CB 4.32Å; D382-I386 HydrophobicContact CB-CD1 3.79Å; D382-I386 HydrophobicContact CB-CG1 4.19Å; D382-I386 WeakPolarHBondContact OD2-CB 3.25Å; D382-I386 VanDerWaalsContact OD2-CG1 3.26Å; D382-I386 WeakPolarHBondContact OD2-CG1 3.39Å; D382-I386 PolarHBondContact OD2-N 3.1Å
387	F	51.6	Low	60.8	Low	56 Å²	56	90.2 Å²	90.2	25%	0.246	44%	0.436	C	S	.	.	S	Bend	trans	-122.8	90.7	170	-61.2	-71.1	0	0	0	108	I160 I379 G384 F389 K390	I160-F387 HydrophobicContact CG2-CE1 4.25Å; I160-F387 HydrophobicContact CG2-CE2 3.89Å; I160-F387 HydrophobicContact CG2-CZ 3.54Å; I379-F387 HydrophobicContact CG2-CD2 4.26Å; I379-F387 HydrophobicContact CG2-CE2 3.51Å; I379-F387 HydrophobicContact CG2-CZ 4.4Å; G384-F387 VanDerWaalsContact CA-O 3.22Å; G384-F387 WeakPolarHBondContact CA-O 3.35Å; F387-F389 PolarHBondContact O-N 3.21Å; F387-K390 PolarHBondContact O-N 3.45Å
388	V	45.5	Very low	60	Low	89 Å²	89	84.6 Å²	84.6	54%	0.539	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.8	-8.4	175.1	-174.2	0	0	0	0	115.3	G384	G384-V388 WeakPolarHBondContact O-CA 3.37Å; G384-V388 WeakPolarHBondContact O-CG2 3.26Å; G384-V388 PolarHBondContact O-N 2.81Å
389	F	45.5	Very low	59.2	Low	88 Å²	88	86.6 Å²	86.6	39%	0.386	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-13	-155.5	-61.1	-41.8	0	0	0	114.9	F387 Y422	F387-F389 PolarHBondContact O-N 3.21Å; F389-Y422 HydrophobicContact CB-CD2 4.45Å; F389-Y422 HydrophobicContact CB-CE1 4.19Å; F389-Y422 HydrophobicContact CB-CE2 3.51Å; F389-Y422 WeakPolarHBondContact CB-OH 3.37Å; F389-Y422 AromaticContact CD1-CD2 3.96Å; F389-Y422 HydrophobicContact CD1-CD2 3.96Å; F389-Y422 AromaticContact CD1-CE2 3.07Å; F389-Y422 HydrophobicContact CD1-CE2 3.07Å; F389-Y422 AromaticContact CD1-CZ 3.76Å; F389-Y422 HydrophobicContact CD2-CE2 4.43Å; F389-Y422 AromaticContact CE1-CE2 3.83Å; F389-Y422 HydrophobicContact CE1-CE2 3.83Å; F389-Y422 AromaticContact CG-CE2 3.4Å; F389-Y422 HydrophobicContact CG-CE2 3.4Å; F389-Y422 VanDerWaalsContact CG-CE2 3.4Å; F389-Y422 AromaticContact CG-CZ 3.55Å; F389-Y422 WeakPolarHBondContact CG-OH 3.35Å
390	K	41	Very low	58.2	Low	123 Å²	123	93.6 Å²	93.6	54%	0.535	47%	0.465	S	S	.	.	S	Bend	trans	-88.6	-23.8	-174.6	-107.2	-175.2	177.1	-177.6	0	115.1	F387	F387-K390 PolarHBondContact O-N 3.45Å
391	K	40	Very low	57.1	Low	117 Å²	117	98.7 Å²	98.7	51%	0.509	49%	0.494	S	S	.	.			trans	-139.1	63.5	-179.7	-69.1	-175.2	-176.9	173.8	0	111.4	R393	K391-R393 PolarHBondContact O-N 3.33Å
392	I	47.4	Very low	56.3	Low	51 Å²	51	96.5 Å²	96.5	26%	0.262	49%	0.494	S	S	.	.			trans	-65.1	108.9	169.1	-62.9	167.6	0	0	0	107.1	L394 Y422 E425	I392-L394 VanDerWaalsContact C-N 3.27Å; I392-L394 HydrophobicContact CG2-CD2 3.8Å; I392-L394 HydrophobicContact CG2-CG 4.14Å; I392-L394 PolarHBondContact O-N 3.02Å; I392-Y422 HydrophobicContact CD1-CD2 3.8Å; I392-Y422 HydrophobicContact CD1-CG 4.08Å; I392-E425 HydrophobicContact CD1-CB 4.45Å
393	R	52.6	Low	55.3	Low	249 Å²	249	99 Å²	99	94%	0.94	52%	0.52	S	S	*	.			trans	-66.9	91.5	166.5	-83.6	-172.1	179	-177.7	1.8	108	K391 S395	K391-R393 PolarHBondContact O-N 3.33Å; R393-S395 PolarHBondContact O-N 2.91Å
394	L	58	Low	55	Low	76 Å²	76	100.3 Å²	100.3	40%	0.398	53%	0.527	S	S	.	.			trans	-65.8	124.9	175.9	-66.2	165.9	0	0	0	108.8	I392 E425 N428	I392-L394 VanDerWaalsContact C-N 3.27Å; I392-L394 HydrophobicContact CG2-CD2 3.8Å; I392-L394 HydrophobicContact CG2-CG 4.14Å; I392-L394 PolarHBondContact O-N 3.02Å; L394-E425 HydrophobicContact CD2-CB 4.08Å; L394-E425 HydrophobicContact CD2-CG 4.36Å; L394-N428 HydrophobicContact CD2-CB 4.1Å
395	S	65.6	Low	55.1	Low	39 Å²	39	105.3 Å²	105.3	27%	0.273	54%	0.541	S	S	.	.			trans	-58.7	149.9	165.3	51.1	0	0	0	0	110.2	R393 S397 N428 K432	R393-S395 PolarHBondContact O-N 2.91Å; S395-S397 PolarHBondContact O-N 3.06Å; S395-N428 PolarHBondContact O-ND2 2.98Å; S395-K432 PolarHBondContact O-NZ 3.1Å; S395-K432 PolarHBondContact OG-NZ 3.24Å
396	P	68.5	Low	55.3	Low	110 Å²	110	105 Å²	105	71%	0.714	55%	0.546	S	S	*	.			trans	-45.2	137.6	-174.9	-27.6	32.5	0	0	0	112.6	K432	P396-K432 WeakPolarHBondContact O-CE 3.41Å; P396-K432 PolarHBondContact O-NZ 2.9Å; P396-K432 VanDerWaalsContact O-NZ 3.15Å
397	S	69.8	Low	55.4	Low	52 Å²	52	106.1 Å²	106.1	36%	0.364	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-68.9	144.4	168.6	-175.6	0	0	0	0	108	S395 E399 K431	S395-S397 PolarHBondContact O-N 3.06Å; S397-E399 PolarHBondContact O-N 3.36Å; S397-K431 WeakPolarHBondContact OG-CD 3.46Å
398	P	69.3	Low	55.5	Low	19 Å²	19	111.6 Å²	111.6	12%	0.123	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-54.2	139.2	169.5	-20.2	30.8	0	0	0	110.8	K431 K432 W435 Y481	P398-K431 HydrophobicContact CG-CB 4.31Å; P398-K432 HydrophobicContact CG-CG 3.79Å; P398-W435 HydrophobicContact CB-CG 4.36Å; P398-W435 HydrophobicContact CG-CB 4.49Å; P398-Y481 WeakPolarHBondContact CA-OH 3.36Å; P398-Y481 HydrophobicContact CB-CE2 4.06Å; P398-Y481 WeakPolarHBondContact CB-OH 3.29Å; P398-Y481 HydrophobicContact CG-CE2 3.68Å
399	E	67.2	Low	56.1	Low	173 Å²	173	111.5 Å²	111.5	81%	0.808	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-71.4	149.7	166.1	-65.9	176.3	179.4	0	0	109.3	S397 D401	S397-E399 PolarHBondContact O-N 3.36Å; E399-D401 PolarHBondContact O-N 3.36Å
400	D	60.7	Low	56.8	Low	163 Å²	163	112.7 Å²	112.7	87%	0.872	59%	0.594	S	S	*	*	S	Bend	trans	-74.4	12.8	-157.2	-145.7	13.6	0	0	0	116.2	G402	D400-G402 VanDerWaalsContact C-N 3.26Å; D400-G402 PolarHBondContact O-N 3.49Å; D400-G402 VanDerWaalsContact O-N 3.13Å
401	D	53	Low	57.8	Low	158 Å²	158	107.2 Å²	107.2	85%	0.845	57%	0.571	S	S	*	*			trans	-85.8	24.4	-172.5	-82.4	-13.9	0	0	0	115	E399 A403	E399-D401 PolarHBondContact O-N 3.36Å; D401-A403 VanDerWaalsContact C-N 3.34Å; D401-A403 PolarHBondContact O-N 2.95Å
402	G	54.4	Low	58.9	Low	36 Å²	36	105 Å²	105	37%	0.371	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-76.8	-8.9	-174.5	0	0	0	0	0	116.4	D400 N404	D400-G402 VanDerWaalsContact C-N 3.26Å; D400-G402 PolarHBondContact O-N 3.49Å; D400-G402 VanDerWaalsContact O-N 3.13Å; G402-N404 VanDerWaalsContact C-N 3.3Å; G402-N404 PolarHBondContact O-N 2.91Å
403	A	52.1	Low	60.7	Low	97 Å²	97	107 Å²	107	80%	0.802	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-66.6	-22.8	-164.8	0	0	0	0	0	115.3	D401	D401-A403 VanDerWaalsContact C-N 3.34Å; D401-A403 PolarHBondContact O-N 2.95Å
404	N	48.3	Very low	62.7	Low	164 Å²	164	95.8 Å²	95.8	88%	0.877	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-113.1	18.1	-171.2	-87.8	-12	0	0	0	115.4	G402	G402-N404 VanDerWaalsContact C-N 3.3Å; G402-N404 PolarHBondContact O-N 2.91Å
405	R	58.5	Low	64.5	Low	120 Å²	120	96.2 Å²	96.2	45%	0.453	54%	0.537	S	S	.	.			trans	-84.4	125.3	179.7	-147.1	175.9	-174.3	178.2	4.9	111.3	V407	R405-V407 PolarHBondContact O-N 3.3Å
406	I	57.9	Low	66.1	Low	162 Å²	162	94.3 Å²	94.3	83%	0.831	52%	0.524	S	S	*	.			trans	-61.1	102.8	170.6	-58.4	172.8	0	0	0	107.8	R408	I406-R408 PolarHBondContact O-N 3.15Å
407	V	56.1	Low	67.4	Low	86 Å²	86	89.1 Å²	89.1	52%	0.521	49%	0.49	S	S	.	.			trans	-65.5	116.6	177.1	-178.7	0	0	0	0	107.5	R405 A409 A411	R405-V407 PolarHBondContact O-N 3.3Å; V407-A409 PolarHBondContact O-N 3.27Å; V407-A411 HydrophobicContact CG1-CB 4.03Å
408	R	55.1	Low	68.7	Low	171 Å²	171	87.3 Å²	87.3	65%	0.645	48%	0.476	S	S	*	.			trans	-59.7	137.7	172.4	-69.7	-177.4	170	164.9	-1.5	108.8	I406 D410 A411	I406-R408 PolarHBondContact O-N 3.15Å; R408-D410 WeakPolarHBondContact CB-OD1 3.19Å; R408-D410 PolarHBondContact O-N 3.48Å; R408-D410 VanDerWaalsContact O-N 3.12Å; R408-A411 WeakPolarHBondContact O-CB 3.41Å; R408-A411 PolarHBondContact O-N 3.39Å
409	A	57	Low	69.9	Low	88 Å²	88	87.1 Å²	87.1	73%	0.727	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-57.9	-29.8	-173.5	0	0	0	0	0	113.3	V407 A411 S412	V407-A409 PolarHBondContact O-N 3.27Å; A409-A411 VanDerWaalsContact C-N 3.33Å; A409-A411 PolarHBondContact O-N 2.86Å; A409-S412 PolarHBondContact O-N 3.3Å; A409-S412 PolarHBondContact O-OG 3.2Å
410	D	61	Low	70.7	Confident	113 Å²	113	81.2 Å²	81.2	60%	0.604	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-63.7	-31.3	176	58.1	-3.4	0	0	0	113.6	R408 S412	R408-D410 WeakPolarHBondContact CB-OD1 3.19Å; R408-D410 PolarHBondContact O-N 3.48Å; R408-D410 VanDerWaalsContact O-N 3.12Å; D410-S412 VanDerWaalsContact C-N 3.25Å; D410-S412 PolarHBondContact O-N 3Å
411	A	60.8	Low	71.8	Confident	7 Å²	7	74.4 Å²	74.4	6%	0.058	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-68.7	-23.1	-179.9	0	0	0	0	0	113.2	V407 R408 A409 D413 V414 F486	V407-A411 HydrophobicContact CG1-CB 4.03Å; R408-A411 WeakPolarHBondContact O-CB 3.41Å; R408-A411 PolarHBondContact O-N 3.39Å; A409-A411 VanDerWaalsContact C-N 3.33Å; A409-A411 PolarHBondContact O-N 2.86Å; A411-D413 PolarHBondContact O-N 3.44Å; A411-V414 PolarHBondContact O-N 3.42Å; A411-V414 VanDerWaalsContact O-N 3.11Å; A411-F486 HydrophobicContact CB-CD2 4.25Å; A411-F486 HydrophobicContact CB-CE2 4.2Å
412	S	63.8	Low	73	Confident	71 Å²	71	71.3 Å²	71.3	50%	0.497	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-66.2	-19.3	-173.6	69.9	0	0	0	0	114.6	A409 D410	A409-S412 PolarHBondContact O-N 3.3Å; A409-S412 PolarHBondContact O-OG 3.2Å; D410-S412 VanDerWaalsContact C-N 3.25Å; D410-S412 PolarHBondContact O-N 3Å
413	D	85.4	Confident	74.3	Confident	94 Å²	94	72.1 Å²	72.1	50%	0.503	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-87.2	-6.6	177.3	-166.1	30.6	0	0	0	113.5	A411 R415 T448	A411-D413 PolarHBondContact O-N 3.44Å; D413-R415 PolarHBondContact O-N 2.77Å; D413-R415 VanDerWaalsContact O-N 3.09Å; D413-R415 IonicContact OD1-CZ 3.02Å; D413-R415 IonicContact OD1-NE 3.82Å; D413-R415 IonicContact OD1-NH2 3.05Å; D413-R415 PolarHBondContact OD1-NH2 2.78Å; D413-T448 VanDerWaalsContact O-CG2 3.29Å; D413-T448 WeakPolarHBondContact O-CG2 3.36Å; D413-T448 PolarHBondContact O-OG1 2.92Å
414	V	94.6	Very high	75.6	Confident	13 Å²	13	71 Å²	71	8%	0.079	38%	0.383	C	S	.	.			trans	-80.4	99.4	179.3	-177.8	0	0	0	0	110.4	A411 V416 G438 K439 W476 F486	A411-V414 PolarHBondContact O-N 3.42Å; A411-V414 VanDerWaalsContact O-N 3.11Å; V414-V416 HydrophobicContact CG1-CG2 3.91Å; V414-G438 WeakPolarHBondContact O-CA 3.32Å; V414-K439 PolarHBondContact O-N 3.19Å; V414-W476 HydrophobicContact CG1-CH2 3.6Å; V414-W476 HydrophobicContact CG1-CZ2 4.29Å; V414-F486 HydrophobicContact CB-CD2 4.18Å; V414-F486 HydrophobicContact CB-CE2 3.87Å; V414-F486 HydrophobicContact CB-CZ 4.05Å; V414-F486 HydrophobicContact CG1-CD1 4.12Å; V414-F486 HydrophobicContact CG1-CD2 4.36Å; V414-F486 HydrophobicContact CG1-CE1 3.73Å; V414-F486 HydrophobicContact CG1-CE2 3.99Å; V414-F486 HydrophobicContact CG1-CG 4.43Å; V414-F486 HydrophobicContact CG1-CZ 3.66Å; V414-F486 HydrophobicContact CG2-CD2 3.75Å; V414-F486 HydrophobicContact CG2-CE2 3.96Å; V414-F486 HydrophobicContact CG2-CG 4.06Å; V414-F486 HydrophobicContact CG2-CZ 4.47Å
415	R	96.3	Very high	77.3	Confident	84 Å²	84	63.9 Å²	63.9	32%	0.317	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118.4	176.7	-70.2	167	-73.4	171.3	-10.6	109.5	D413 K439 V441 D446 C447 T448 H449	D413-R415 PolarHBondContact O-N 2.77Å; D413-R415 VanDerWaalsContact O-N 3.09Å; D413-R415 IonicContact OD1-CZ 3.02Å; D413-R415 IonicContact OD1-NE 3.82Å; D413-R415 IonicContact OD1-NH2 3.05Å; D413-R415 PolarHBondContact OD1-NH2 2.78Å; R415-K439 CarbonylContact C-O 3.59Å; R415-K439 WeakPolarHBondContact CA-O 3.39Å; R415-K439 HydrophobicContact CG-CB 4.24Å; R415-V441 HydrophobicContact CB-CG1 4.27Å; R415-V441 HydrophobicContact CB-CG2 4.23Å; R415-V441 HydrophobicContact CG-CG1 4.37Å; R415-D446 WeakPolarHBondContact CB-O 3.43Å; R415-D446 VanDerWaalsContact CD-O 3.24Å; R415-D446 WeakPolarHBondContact CD-O 3.33Å; R415-D446 PolarHBondContact NE-O 3.28Å; R415-D446 PolarHBondContact NH1-O 3.34Å; R415-D446 VanDerWaalsContact NH1-O 3.16Å; R415-C447 CarbonylContact O-C 3.48Å; R415-C447 WeakPolarHBondContact O-CA 3.47Å; R415-C447 WeakPolarHBondContact O-CB 3.42Å; R415-T448 PolarHBondContact N-OG1 3.39Å; R415-T448 PolarHBondContact O-N 2.88Å; R415-T448 PolarHBondContact O-OG1 3.45Å; R415-H449 PolarHBondContact O-N 3.37Å
416	V	97.6	Very high	78.8	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.8	-169	-174.2	0	0	0	0	111.3	V414 F418 I433 K439 V440 V441 H449 V451 W476	V414-V416 HydrophobicContact CG1-CG2 3.91Å; V416-F418 HydrophobicContact CG1-CE1 4.27Å; V416-F418 HydrophobicContact CG1-CE2 4.44Å; V416-F418 HydrophobicContact CG1-CZ 4.21Å; V416-I433 HydrophobicContact CB-CD1 3.81Å; V416-I433 HydrophobicContact CB-CG2 4.47Å; V416-I433 HydrophobicContact CG1-CD1 3.72Å; V416-I433 HydrophobicContact CG2-CD1 3.9Å; V416-I433 HydrophobicContact CG2-CG1 4.33Å; V416-I433 HydrophobicContact CG2-CG2 3.97Å; V416-K439 PolarHBondContact N-O 2.83Å; V416-V440 WeakPolarHBondContact O-CA 3.31Å; V416-V441 PolarHBondContact O-N 3.34Å; V416-H449 CarbonylContact C-O 3.55Å; V416-H449 WeakPolarHBondContact CA-O 3.32Å; V416-H449 HydrophobicContact CG2-CB 4.34Å; V416-V451 HydrophobicContact CG1-CB 4.35Å; V416-V451 HydrophobicContact CG1-CG2 3.64Å; V416-W476 HydrophobicContact CG2-CH2 4.17Å; V416-W476 HydrophobicContact CG2-CZ3 3.92Å
417	C	96.9	Very high	80.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	155	164.7	-99.5	0	0	0	0	109.9	V441 S443 C447 H449 L450 V451	C417-V441 PolarHBondContact SG-O 3Å; C417-S443 VanDerWaalsContact SG-C 3.59Å; C417-S443 PolarHBondContact SG-O 3.42Å; C417-S443 VanDerWaalsContact SG-O 3.37Å; C417-C447 HydrophobicContact CB-CB 3.9Å; C417-H449 PolarHBondContact N-O 3.2Å; C417-L450 HydrophobicContact CB-CD1 3.48Å; C417-L450 VanDerWaalsContact CB-CD1 3.48Å; C417-L450 CarbonylContact O-C 3.59Å; C417-L450 WeakPolarHBondContact O-CA 3.44Å; C417-V451 PolarHBondContact O-N 3.24Å
418	F	96.6	Very high	81.8	Confident	15 Å²	15	53.8 Å²	53.8	7%	0.066	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.4	173.6	-60.7	-80.3	0	0	0	111.5	V416 L421 V426 L429 A430 I433 V440 V451 K460	V416-F418 HydrophobicContact CG1-CE1 4.27Å; V416-F418 HydrophobicContact CG1-CE2 4.44Å; V416-F418 HydrophobicContact CG1-CZ 4.21Å; F418-L421 HydrophobicContact CB-CD1 4.18Å; F418-L421 HydrophobicContact CD1-CD1 3.59Å; F418-L421 HydrophobicContact CE1-CD1 4.42Å; F418-L421 HydrophobicContact CG-CD1 4.32Å; F418-V426 HydrophobicContact CB-CG1 4.42Å; F418-V426 HydrophobicContact CB-CG2 3.94Å; F418-V426 HydrophobicContact CD2-CG1 3.67Å; F418-V426 HydrophobicContact CD2-CG2 4.5Å; F418-V426 HydrophobicContact CE2-CG1 4.04Å; F418-V426 HydrophobicContact CG-CG1 4.13Å; F418-V426 HydrophobicContact CG-CG2 4.12Å; F418-L429 HydrophobicContact CE1-CB 3.77Å; F418-L429 HydrophobicContact CE1-CD1 3.91Å; F418-L429 HydrophobicContact CZ-CB 3.75Å; F418-A430 HydrophobicContact CE2-CB 4.37Å; F418-I433 HydrophobicContact CE1-CD1 4.12Å; F418-I433 HydrophobicContact CE2-CD1 4.09Å; F418-I433 HydrophobicContact CZ-CD1 3.36Å; F418-V440 HydrophobicContact CD2-CG1 4.11Å; F418-V440 HydrophobicContact CE2-CG1 3.76Å; F418-V440 HydrophobicContact CE2-CG2 4.14Å; F418-V451 WeakPolarHBondContact CA-O 3.42Å; F418-V451 HydrophobicContact CD1-CB 3.71Å; F418-V451 HydrophobicContact CD1-CG1 4Å; F418-V451 HydrophobicContact CE1-CB 3.95Å; F418-V451 HydrophobicContact CE1-CG1 4.06Å; F418-V451 HydrophobicContact CE1-CG2 4.43Å; F418-K460 VanDerWaalsContact O-CD 3.32Å; F418-K460 WeakPolarHBondContact O-CD 3.49Å; F418-K460 PolarHBondContact O-NZ 3.07Å
419	T	94.4	Very high	83.6	Confident	15 Å²	15	45.7 Å²	45.7	9%	0.092	27%	0.266	C	S	.	.			trans	-144.7	143.6	170.3	-167.9	0	0	0	0	111.2	L421 L450 V451 T452 T458 K460	T419-L421 VanDerWaalsContact C-N 3.32Å; T419-L421 PolarHBondContact O-N 2.96Å; T419-L450 HydrophobicContact CG2-CD1 4.06Å; T419-L450 HydrophobicContact CG2-CD2 3.89Å; T419-L450 HydrophobicContact CG2-CG 4Å; T419-V451 PolarHBondContact N-O 2.98Å; T419-V451 VanDerWaalsContact N-O 3.07Å; T419-T452 HydrophobicContact CG2-CG2 4.32Å; T419-T452 WeakPolarHBondContact O-CA 3.22Å; T419-T452 VanDerWaalsContact O-CB 3.24Å; T419-T452 WeakPolarHBondContact O-CB 3.44Å; T419-T452 PolarHBondContact O-OG1 2.9Å; T419-T458 PolarHBondContact OG1-OG1 2.86Å; T419-K460 HydrophobicContact CG2-CB 4.49Å
420	G	84.7	Confident	85.4	Confident	48 Å²	48	42.5 Å²	42.5	50%	0.495	24%	0.24	S	C	.	.	S	Bend	trans	68.2	24.4	177.8	0	0	0	0	0	115.2
421	L	84.5	Confident	86.9	Confident	20 Å²	20	42.9 Å²	42.9	11%	0.105	24%	0.237	C	C	.	.			trans	-120.3	151	-178.7	-71	164.9	0	0	0	111.2	F418 T419 E425 V426 L429 V451 V453 P474	F418-L421 HydrophobicContact CB-CD1 4.18Å; F418-L421 HydrophobicContact CD1-CD1 3.59Å; F418-L421 HydrophobicContact CE1-CD1 4.42Å; F418-L421 HydrophobicContact CG-CD1 4.32Å; T419-L421 VanDerWaalsContact C-N 3.32Å; T419-L421 PolarHBondContact O-N 2.96Å; L421-E425 HydrophobicContact CD2-CG 4.35Å; L421-E425 VanDerWaalsContact CD2-OE2 3.31Å; L421-E425 WeakPolarHBondContact CD2-OE2 3.37Å; L421-V426 HydrophobicContact CB-CG2 3.64Å; L421-L429 HydrophobicContact CD1-CD1 4.3Å; L421-V451 HydrophobicContact CD1-CG1 4.11Å; L421-V453 HydrophobicContact CD2-CG2 3.42Å; L421-V453 VanDerWaalsContact CD2-CG2 3.42Å; L421-V453 HydrophobicContact CG-CG2 4.45Å; L421-P474 HydrophobicContact CD1-CG 4.4Å; L421-P474 HydrophobicContact CD2-CG 3.91Å
422	Y	76.7	Confident	88.4	Confident	93 Å²	93	42.7 Å²	42.7	37%	0.365	23%	0.234	S	C	.	.			trans	-70	145.2	176.4	-79.4	-92.3	0	0	0	111.3	F389 I392 T424 E425 V426	F389-Y422 HydrophobicContact CB-CD2 4.45Å; F389-Y422 HydrophobicContact CB-CE1 4.19Å; F389-Y422 HydrophobicContact CB-CE2 3.51Å; F389-Y422 WeakPolarHBondContact CB-OH 3.37Å; F389-Y422 AromaticContact CD1-CD2 3.96Å; F389-Y422 HydrophobicContact CD1-CD2 3.96Å; F389-Y422 AromaticContact CD1-CE2 3.07Å; F389-Y422 HydrophobicContact CD1-CE2 3.07Å; F389-Y422 AromaticContact CD1-CZ 3.76Å; F389-Y422 HydrophobicContact CD2-CE2 4.43Å; F389-Y422 AromaticContact CE1-CE2 3.83Å; F389-Y422 HydrophobicContact CE1-CE2 3.83Å; F389-Y422 AromaticContact CG-CE2 3.4Å; F389-Y422 HydrophobicContact CG-CE2 3.4Å; F389-Y422 VanDerWaalsContact CG-CE2 3.4Å; F389-Y422 AromaticContact CG-CZ 3.55Å; F389-Y422 WeakPolarHBondContact CG-OH 3.35Å; I392-Y422 HydrophobicContact CD1-CD2 3.8Å; I392-Y422 HydrophobicContact CD1-CG 4.08Å; Y422-T424 PolarHBondContact O-N 3.34Å; Y422-E425 PolarHBondContact O-N 3.16Å; Y422-V426 WeakPolarHBondContact O-CG2 3.5Å; Y422-V426 PolarHBondContact O-N 3.12Å
423	P	82.6	Confident	89.8	Confident	54 Å²	54	39.3 Å²	39.3	35%	0.351	21%	0.211	S	C	.	.	H	α-helix	trans	-53.1	-40.4	178.9	-28	35.1	0	0	0	113.4	E425 V426 M427	P423-E425 PolarHBondContact O-N 2.82Å; P423-V426 PolarHBondContact O-N 3.26Å; P423-M427 WeakPolarHBondContact O-CB 3.32Å; P423-M427 WeakPolarHBondContact O-CG 3.49Å; P423-M427 PolarHBondContact O-N 3.13Å
424	T	78.2	Confident	90.1	Very high	74 Å²	74	39.2 Å²	39.2	45%	0.454	21%	0.213	S	C	.	.	H	α-helix	trans	-63.5	-39.3	177.9	50.7	0	0	0	0	113.2	Y422 M427 N428	Y422-T424 PolarHBondContact O-N 3.34Å; T424-M427 HydrophobicContact CG2-CE 4.19Å; T424-N428 PolarHBondContact O-N 3.2Å; T424-N428 VanDerWaalsContact O-N 3.15Å
425	E	84.2	Confident	89.8	Confident	13 Å²	13	41.4 Å²	41.4	6%	0.061	22%	0.22	C	C	.	.	H	α-helix	trans	-72	-42.4	175.1	-177.9	165.4	-146.9	0	0	111.3	I392 L394 L421 Y422 P423 M427 N428 L429 R478	I392-E425 HydrophobicContact CD1-CB 4.45Å; L394-E425 HydrophobicContact CD2-CB 4.08Å; L394-E425 HydrophobicContact CD2-CG 4.36Å; L421-E425 HydrophobicContact CD2-CG 4.35Å; L421-E425 VanDerWaalsContact CD2-OE2 3.31Å; L421-E425 WeakPolarHBondContact CD2-OE2 3.37Å; Y422-E425 PolarHBondContact O-N 3.16Å; P423-E425 PolarHBondContact O-N 2.82Å; E425-M427 VanDerWaalsContact C-N 3.32Å; E425-M427 PolarHBondContact O-N 3.04Å; E425-N428 PolarHBondContact O-N 3.2Å; E425-L429 HydrophobicContact CG-CD1 3.82Å; E425-L429 HydrophobicContact CG-CG 4.2Å; E425-L429 WeakPolarHBondContact O-CB 3.43Å; E425-L429 VanDerWaalsContact O-CG 3.27Å; E425-L429 WeakPolarHBondContact O-CG 3.43Å; E425-L429 PolarHBondContact O-N 3.14Å; E425-R478 IonicContact OE1-CZ 3.91Å; E425-R478 IonicContact OE1-NH2 3.7Å; E425-R478 PolarHBondContact OE1-NH2 2.64Å
426	V	90.1	Very high	89.6	Confident	39 Å²	39	38.3 Å²	38.3	24%	0.236	21%	0.21	C	C	.	.	H	α-helix	trans	-56.2	-46.8	173.8	171.1	0	0	0	0	110.6	F418 L421 Y422 P423 N428 L429 A430	F418-V426 HydrophobicContact CB-CG1 4.42Å; F418-V426 HydrophobicContact CB-CG2 3.94Å; F418-V426 HydrophobicContact CD2-CG1 3.67Å; F418-V426 HydrophobicContact CD2-CG2 4.5Å; F418-V426 HydrophobicContact CE2-CG1 4.04Å; F418-V426 HydrophobicContact CG-CG1 4.13Å; F418-V426 HydrophobicContact CG-CG2 4.12Å; L421-V426 HydrophobicContact CB-CG2 3.64Å; Y422-V426 WeakPolarHBondContact O-CG2 3.5Å; Y422-V426 PolarHBondContact O-N 3.12Å; P423-V426 PolarHBondContact O-N 3.26Å; V426-N428 PolarHBondContact O-N 2.89Å; V426-L429 PolarHBondContact O-N 2.83Å; V426-A430 WeakPolarHBondContact O-CB 3.43Å; V426-A430 PolarHBondContact O-N 2.89Å
427	M	89	Confident	89.2	Confident	103 Å²	103	39.1 Å²	39.1	51%	0.507	22%	0.219	S	C	.	.	H	α-helix	trans	-60.2	-45.3	176.6	-74.5	-172.3	-69.5	0	0	112.2	P423 T424 E425 A430 K431	P423-M427 WeakPolarHBondContact O-CB 3.32Å; P423-M427 WeakPolarHBondContact O-CG 3.49Å; P423-M427 PolarHBondContact O-N 3.13Å; T424-M427 HydrophobicContact CG2-CE 4.19Å; E425-M427 VanDerWaalsContact C-N 3.32Å; E425-M427 PolarHBondContact O-N 3.04Å; M427-A430 PolarHBondContact O-N 2.97Å; M427-K431 WeakPolarHBondContact O-CG 3.44Å; M427-K431 PolarHBondContact O-N 3.48Å; M427-K431 VanDerWaalsContact O-N 3.07Å
428	N	88.5	Confident	89	Confident	15 Å²	15	39.4 Å²	39.4	8%	0.08	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-43.7	179.4	-176.1	-83.2	0	0	0	112.2	L394 S395 T424 E425 V426 K432	L394-N428 HydrophobicContact CD2-CB 4.1Å; S395-N428 PolarHBondContact O-ND2 2.98Å; T424-N428 PolarHBondContact O-N 3.2Å; T424-N428 VanDerWaalsContact O-N 3.15Å; E425-N428 PolarHBondContact O-N 3.2Å; V426-N428 PolarHBondContact O-N 2.89Å; N428-K432 PolarHBondContact O-N 3.4Å; N428-K432 PolarHBondContact OD1-NZ 3.05Å
429	L	93.4	Very high	88.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.5	-38.1	177.3	-63.9	174.5	0	0	0	111.5	F418 L421 E425 V426 K431 K432 I433 P474 V477 R478	F418-L429 HydrophobicContact CE1-CB 3.77Å; F418-L429 HydrophobicContact CE1-CD1 3.91Å; F418-L429 HydrophobicContact CZ-CB 3.75Å; L421-L429 HydrophobicContact CD1-CD1 4.3Å; E425-L429 HydrophobicContact CG-CD1 3.82Å; E425-L429 HydrophobicContact CG-CG 4.2Å; E425-L429 WeakPolarHBondContact O-CB 3.43Å; E425-L429 VanDerWaalsContact O-CG 3.27Å; E425-L429 WeakPolarHBondContact O-CG 3.43Å; E425-L429 PolarHBondContact O-N 3.14Å; V426-L429 PolarHBondContact O-N 2.83Å; L429-K431 PolarHBondContact O-N 2.64Å; L429-K432 WeakPolarHBondContact O-CB 3.31Å; L429-K432 PolarHBondContact O-N 3.24Å; L429-K432 VanDerWaalsContact O-N 3.16Å; L429-I433 WeakPolarHBondContact O-CG1 3.44Å; L429-I433 PolarHBondContact O-N 2.86Å; L429-P474 HydrophobicContact CD1-CB 3.9Å; L429-V477 HydrophobicContact CB-CG1 4.23Å; L429-V477 HydrophobicContact CD2-CB 4.02Å; L429-V477 HydrophobicContact CD2-CG1 3.9Å; L429-R478 HydrophobicContact CD2-CG 4.04Å
430	A	94.5	Very high	89	Confident	21 Å²	21	46.8 Å²	46.8	17%	0.174	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-46.7	176.7	0	0	0	0	0	111.5	F418 V426 M427 K432 I433 V434 V440	F418-A430 HydrophobicContact CE2-CB 4.37Å; V426-A430 WeakPolarHBondContact O-CB 3.43Å; V426-A430 PolarHBondContact O-N 2.89Å; M427-A430 PolarHBondContact O-N 2.97Å; A430-K432 VanDerWaalsContact C-N 3.26Å; A430-K432 PolarHBondContact O-N 3.34Å; A430-I433 PolarHBondContact O-N 2.89Å; A430-I433 VanDerWaalsContact O-N 3.16Å; A430-V434 WeakPolarHBondContact O-CG2 3.29Å; A430-V434 PolarHBondContact O-N 3.19Å; A430-V440 HydrophobicContact CB-CG2 3.8Å
431	K	92.2	Very high	89.5	Confident	122 Å²	122	46 Å²	46	53%	0.53	24%	0.242	S	C	.	.	H	α-helix	trans	-55.6	-41.7	174.5	-72.2	-177.9	179.6	-165.9	0	112.2	S397 P398 M427 L429 W435	S397-K431 WeakPolarHBondContact OG-CD 3.46Å; P398-K431 HydrophobicContact CG-CB 4.31Å; M427-K431 WeakPolarHBondContact O-CG 3.44Å; M427-K431 PolarHBondContact O-N 3.48Å; M427-K431 VanDerWaalsContact O-N 3.07Å; L429-K431 PolarHBondContact O-N 2.64Å; K431-W435 VanDerWaalsContact O-CB 3.27Å; K431-W435 WeakPolarHBondContact O-CB 3.46Å; K431-W435 PolarHBondContact O-N 3.5Å
432	K	92.1	Very high	89.9	Confident	3 Å²	3	51 Å²	51	1%	0.013	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-40.6	177.7	-71.2	171.3	174.6	150.6	0	112.9	S395 P396 P398 N428 L429 A430 W435 L436 V477 Y481	S395-K432 PolarHBondContact O-NZ 3.1Å; S395-K432 PolarHBondContact OG-NZ 3.24Å; P396-K432 WeakPolarHBondContact O-CE 3.41Å; P396-K432 PolarHBondContact O-NZ 2.9Å; P396-K432 VanDerWaalsContact O-NZ 3.15Å; P398-K432 HydrophobicContact CG-CG 3.79Å; N428-K432 PolarHBondContact O-N 3.4Å; N428-K432 PolarHBondContact OD1-NZ 3.05Å; L429-K432 WeakPolarHBondContact O-CB 3.31Å; L429-K432 PolarHBondContact O-N 3.24Å; L429-K432 VanDerWaalsContact O-N 3.16Å; A430-K432 VanDerWaalsContact C-N 3.26Å; A430-K432 PolarHBondContact O-N 3.34Å; K432-W435 PolarHBondContact O-N 3.4Å; K432-L436 WeakPolarHBondContact O-CB 3.41Å; K432-L436 VanDerWaalsContact O-CG 3.26Å; K432-L436 WeakPolarHBondContact O-CG 3.45Å; K432-L436 PolarHBondContact O-N 3.49Å; K432-V477 HydrophobicContact CB-CG1 3.79Å; K432-V477 HydrophobicContact CD-CG1 4.49Å; K432-Y481 HydrophobicContact CB-CD2 3.96Å; K432-Y481 HydrophobicContact CB-CG 4.14Å; K432-Y481 HydrophobicContact CD-CD1 4.14Å; K432-Y481 HydrophobicContact CD-CG 4.01Å; K432-Y481 HydrophobicContact CG-CD1 4.18Å; K432-Y481 HydrophobicContact CG-CD2 3.78Å; K432-Y481 HydrophobicContact CG-CE2 4.22Å; K432-Y481 HydrophobicContact CG-CG 3.77Å
433	I	93.7	Very high	90.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-46.1	177.5	-68.6	160.2	0	0	0	110.5	V416 F418 L429 A430 W435 L436 G437 G438 V440 V477 F486	V416-I433 HydrophobicContact CB-CD1 3.81Å; V416-I433 HydrophobicContact CB-CG2 4.47Å; V416-I433 HydrophobicContact CG1-CD1 3.72Å; V416-I433 HydrophobicContact CG2-CD1 3.9Å; V416-I433 HydrophobicContact CG2-CG1 4.33Å; V416-I433 HydrophobicContact CG2-CG2 3.97Å; F418-I433 HydrophobicContact CE1-CD1 4.12Å; F418-I433 HydrophobicContact CE2-CD1 4.09Å; F418-I433 HydrophobicContact CZ-CD1 3.36Å; L429-I433 WeakPolarHBondContact O-CG1 3.44Å; L429-I433 PolarHBondContact O-N 2.86Å; A430-I433 PolarHBondContact O-N 2.89Å; A430-I433 VanDerWaalsContact O-N 3.16Å; I433-W435 VanDerWaalsContact C-N 3.34Å; I433-L436 PolarHBondContact O-N 3.22Å; I433-G437 PolarHBondContact O-N 3.12Å; I433-G438 WeakPolarHBondContact O-CA 3.38Å; I433-G438 PolarHBondContact O-N 3.45Å; I433-V440 HydrophobicContact CB-CG2 4.18Å; I433-V440 HydrophobicContact CD1-CG2 4.11Å; I433-V440 HydrophobicContact CG2-CG2 4.06Å; I433-V477 HydrophobicContact CD1-CG1 4.36Å; I433-V477 HydrophobicContact CD1-CG2 3.99Å; I433-V477 HydrophobicContact CG1-CG1 3.8Å; I433-V477 HydrophobicContact CG1-CG2 4Å; I433-F486 HydrophobicContact CG2-CZ 4.41Å
434	V	92	Very high	91.2	Very high	92 Å²	92	46 Å²	46	56%	0.558	25%	0.254	S	S	*	.	H	α-helix	trans	-62.4	-43.6	176.8	174.3	0	0	0	0	110.6	A430 L436 G437	A430-V434 WeakPolarHBondContact O-CG2 3.29Å; A430-V434 PolarHBondContact O-N 3.19Å; V434-L436 VanDerWaalsContact C-N 3.26Å; V434-L436 PolarHBondContact O-N 3.02Å; V434-G437 PolarHBondContact O-N 2.6Å
435	W	88.9	Confident	92	Very high	58 Å²	58	47 Å²	47	22%	0.22	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-32.8	175.8	-172.9	97.1	0	0	0	113.1	P398 K431 K432 I433 G437 Y481 Q484	P398-W435 HydrophobicContact CB-CG 4.36Å; P398-W435 HydrophobicContact CG-CB 4.49Å; K431-W435 VanDerWaalsContact O-CB 3.27Å; K431-W435 WeakPolarHBondContact O-CB 3.46Å; K431-W435 PolarHBondContact O-N 3.5Å; K432-W435 PolarHBondContact O-N 3.4Å; I433-W435 VanDerWaalsContact C-N 3.34Å; W435-G437 PolarHBondContact O-N 3.49Å; W435-Y481 HydrophobicContact CB-CE2 4.36Å; W435-Y481 HydrophobicContact CD2-CD2 4.13Å; W435-Y481 AromaticContact CD2-CE2 3.53Å; W435-Y481 HydrophobicContact CD2-CE2 3.53Å; W435-Y481 AromaticContact CE3-CD2 3.59Å; W435-Y481 HydrophobicContact CE3-CD2 3.59Å; W435-Y481 AromaticContact CE3-CE2 3.44Å; W435-Y481 HydrophobicContact CE3-CE2 3.44Å; W435-Y481 VanDerWaalsContact CE3-CE2 3.44Å; W435-Y481 AromaticContact CG-CE2 3.95Å; W435-Y481 HydrophobicContact CG-CE2 3.95Å; W435-Y481 HydrophobicContact CH2-CE2 4.3Å; W435-Y481 HydrophobicContact CZ2-CE2 4.43Å; W435-Y481 AromaticContact CZ3-CD2 3.95Å; W435-Y481 HydrophobicContact CZ3-CD2 3.95Å; W435-Y481 AromaticContact CZ3-CE2 3.84Å; W435-Y481 HydrophobicContact CZ3-CE2 3.84Å; W435-Q484 HydrophobicContact CH2-CB 4.23Å; W435-Q484 HydrophobicContact CH2-CG 3.91Å; W435-Q484 HydrophobicContact CZ3-CB 4.23Å; W435-Q484 HydrophobicContact CZ3-CG 4.25Å
436	L	90.5	Very high	92.5	Very high	19 Å²	19	50.3 Å²	50.3	10%	0.099	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.2	173.8	-72.6	167.3	0	0	0	113.7	K432 I433 V434 F486	K432-L436 WeakPolarHBondContact O-CB 3.41Å; K432-L436 VanDerWaalsContact O-CG 3.26Å; K432-L436 WeakPolarHBondContact O-CG 3.45Å; K432-L436 PolarHBondContact O-N 3.49Å; I433-L436 PolarHBondContact O-N 3.22Å; V434-L436 VanDerWaalsContact C-N 3.26Å; V434-L436 PolarHBondContact O-N 3.02Å; L436-F486 HydrophobicContact CB-CD2 4.38Å; L436-F486 HydrophobicContact CB-CE1 3.92Å; L436-F486 HydrophobicContact CB-CE2 3.73Å; L436-F486 HydrophobicContact CB-CZ 3.46Å; L436-F486 VanDerWaalsContact CB-CZ 3.46Å; L436-F486 HydrophobicContact CD1-CD1 4.12Å; L436-F486 HydrophobicContact CD1-CE1 3.75Å; L436-F486 HydrophobicContact CD1-CZ 4.19Å; L436-F486 HydrophobicContact CG-CE1 4.5Å; L436-F486 HydrophobicContact CG-CZ 4.48Å; L436-F486 WeakPolarHBondContact O-CE2 3.41Å
437	G	89.7	Confident	92.7	Very high	18 Å²	18	48.5 Å²	48.5	19%	0.186	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	5	-178.8	0	0	0	0	0	115.1	I433 V434 W435	I433-G437 PolarHBondContact O-N 3.12Å; V434-G437 PolarHBondContact O-N 2.6Å; W435-G437 PolarHBondContact O-N 3.49Å
438	G	93.3	Very high	93.1	Very high	6 Å²	6	44.6 Å²	44.6	6%	0.062	25%	0.245	C	C	.	.			trans	-84.8	172.4	174.7	0	0	0	0	0	112.9	V414 I433	V414-G438 WeakPolarHBondContact O-CA 3.32Å; I433-G438 WeakPolarHBondContact O-CA 3.38Å; I433-G438 PolarHBondContact O-N 3.45Å
439	K	94.4	Very high	93.5	Very high	126 Å²	126	44.8 Å²	44.8	55%	0.548	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.7	178.6	-64.5	177.3	-177.3	174.5	0	110.8	V414 R415 V416	V414-K439 PolarHBondContact O-N 3.19Å; R415-K439 CarbonylContact C-O 3.59Å; R415-K439 WeakPolarHBondContact CA-O 3.39Å; R415-K439 HydrophobicContact CG-CB 4.24Å; V416-K439 PolarHBondContact N-O 2.83Å
440	V	95.1	Very high	93.7	Very high	58 Å²	58	44.8 Å²	44.8	35%	0.352	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124	169	-179.4	0	0	0	0	108.2	V416 F418 A430 I433	V416-V440 WeakPolarHBondContact O-CA 3.31Å; F418-V440 HydrophobicContact CD2-CG1 4.11Å; F418-V440 HydrophobicContact CE2-CG1 3.76Å; F418-V440 HydrophobicContact CE2-CG2 4.14Å; A430-V440 HydrophobicContact CB-CG2 3.8Å; I433-V440 HydrophobicContact CB-CG2 4.18Å; I433-V440 HydrophobicContact CD1-CG2 4.11Å; I433-V440 HydrophobicContact CG2-CG2 4.06Å
441	V	96	Very high	93.9	Very high	31 Å²	31	43.8 Å²	43.8	19%	0.188	24%	0.237	C	C	.	.			trans	-118.1	152.6	-179.9	-63	0	0	0	0	110	R415 V416 C417 C447	R415-V441 HydrophobicContact CB-CG1 4.27Å; R415-V441 HydrophobicContact CB-CG2 4.23Å; R415-V441 HydrophobicContact CG-CG1 4.37Å; V416-V441 PolarHBondContact O-N 3.34Å; C417-V441 PolarHBondContact SG-O 3Å; V441-C447 HydrophobicContact CG2-CB 3.51Å
442	T	92.7	Very high	94	Very high	127 Å²	127	38.1 Å²	38.1	78%	0.779	21%	0.213	S	C	*	.	S	Bend	trans	-90.6	-32.4	180	52.2	0	0	0	0	112.5
443	S	93.4	Very high	93.8	Very high	37 Å²	37	41.8 Å²	41.8	26%	0.259	24%	0.235	S	C	.	.			trans	-87.1	131	-179.6	163.4	0	0	0	0	111.6	C417 L445 D446 C447	C417-S443 VanDerWaalsContact SG-C 3.59Å; C417-S443 PolarHBondContact SG-O 3.42Å; C417-S443 VanDerWaalsContact SG-O 3.37Å; S443-L445 VanDerWaalsContact C-N 3.28Å; S443-L445 PolarHBondContact OG-N 2.9Å; S443-D446 WeakPolarHBondContact CB-OD2 2.93Å; S443-D446 PolarHBondContact O-N 2.84Å; S443-D446 PolarHBondContact OG-OD2 3.37Å; S443-C447 PolarHBondContact O-N 3.01Å
444	V	94.5	Very high	93.5	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.024	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.5	178.4	-176.5	0	0	0	0	111.9	D446 C447 K460 E463 L467	V444-D446 PolarHBondContact O-N 2.88Å; V444-C447 PolarHBondContact O-N 3.3Å; V444-C447 PolarHBondContact O-SG 2.98Å; V444-C447 VanDerWaalsContact O-SG 3.39Å; V444-K460 HydrophobicContact CG2-CB 3.7Å; V444-K460 HydrophobicContact CG2-CD 4.03Å; V444-K460 HydrophobicContact CG2-CG 3.63Å; V444-E463 HydrophobicContact CB-CB 4.01Å; V444-E463 HydrophobicContact CG1-CB 3.76Å; V444-E463 HydrophobicContact CG2-CB 4.48Å; V444-L467 HydrophobicContact CG1-CD1 4.31Å; V444-L467 WeakPolarHBondContact O-CD1 3.39Å
445	L	94.1	Very high	93.4	Very high	96 Å²	96	39 Å²	39	50%	0.503	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-36.9	174.3	-63.6	172.9	0	0	0	110.9	S443 L467 R469 T544	S443-L445 VanDerWaalsContact C-N 3.28Å; S443-L445 PolarHBondContact OG-N 2.9Å; L445-L467 HydrophobicContact CD2-CD1 3.85Å; L445-L467 HydrophobicContact CD2-CD2 4.36Å; L445-R469 PolarHBondContact O-NH2 3.26Å; L445-T544 HydrophobicContact CD2-CG2 4.04Å
446	D	94.3	Very high	93.2	Very high	82 Å²	82	40.9 Å²	40.9	44%	0.439	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-15	-175.7	-55	-55.9	0	0	0	113.6	R415 S443 V444	R415-D446 WeakPolarHBondContact CB-O 3.43Å; R415-D446 VanDerWaalsContact CD-O 3.24Å; R415-D446 WeakPolarHBondContact CD-O 3.33Å; R415-D446 PolarHBondContact NE-O 3.28Å; R415-D446 PolarHBondContact NH1-O 3.34Å; R415-D446 VanDerWaalsContact NH1-O 3.16Å; S443-D446 WeakPolarHBondContact CB-OD2 2.93Å; S443-D446 PolarHBondContact O-N 2.84Å; S443-D446 PolarHBondContact OG-OD2 3.37Å; V444-D446 PolarHBondContact O-N 2.88Å
447	C	95.1	Very high	93	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.237	C	C	.	.			trans	-80.4	150	-177.5	86.2	0	0	0	0	112.1	R415 C417 V441 S443 V444 R469	R415-C447 CarbonylContact O-C 3.48Å; R415-C447 WeakPolarHBondContact O-CA 3.47Å; R415-C447 WeakPolarHBondContact O-CB 3.42Å; C417-C447 HydrophobicContact CB-CB 3.9Å; V441-C447 HydrophobicContact CG2-CB 3.51Å; S443-C447 PolarHBondContact O-N 3.01Å; V444-C447 PolarHBondContact O-N 3.3Å; V444-C447 PolarHBondContact O-SG 2.98Å; V444-C447 VanDerWaalsContact O-SG 3.39Å; C447-R469 WeakPolarHBondContact O-CD 3.22Å; C447-R469 PolarHBondContact O-NE 3.03Å
448	T	95.7	Very high	93.1	Very high	22 Å²	22	44.9 Å²	44.9	14%	0.135	24%	0.24	C	C	.	.	S	Bend	trans	-98.3	-28.7	167.8	50.3	0	0	0	0	111.3	D413 R415 Y470	D413-T448 VanDerWaalsContact O-CG2 3.29Å; D413-T448 WeakPolarHBondContact O-CG2 3.36Å; D413-T448 PolarHBondContact O-OG1 2.92Å; R415-T448 PolarHBondContact N-OG1 3.39Å; R415-T448 PolarHBondContact O-N 2.88Å; R415-T448 PolarHBondContact O-OG1 3.45Å; T448-Y470 PolarHBondContact O-N 2.95Å
449	H	97.7	Very high	93.1	Very high	19 Å²	19	49.8 Å²	49.8	9%	0.088	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.8	-177.4	-55.5	76.8	0	0	0	110.8	R415 V416 C417 Y470 W476	R415-H449 PolarHBondContact O-N 3.37Å; V416-H449 CarbonylContact C-O 3.55Å; V416-H449 WeakPolarHBondContact CA-O 3.32Å; V416-H449 HydrophobicContact CG2-CB 4.34Å; C417-H449 PolarHBondContact N-O 3.2Å; H449-Y470 CarbonylContact C-O 3.49Å; H449-Y470 WeakPolarHBondContact CA-O 3.46Å; H449-Y470 AromaticContact CD2-CD2 3.66Å; H449-Y470 AromaticContact CD2-CG 3.91Å; H449-Y470 AromaticContact NE2-CD2 3.44Å; H449-Y470 WeakPolarHBondContact NE2-CD2 3.43Å; H449-W476 HydrophobicContact CB-CH2 4.38Å; H449-W476 HydrophobicContact CB-CZ3 4.38Å
450	L	98.1	Very high	93.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.2	172.3	-176.7	69.3	0	0	0	108.9	C417 T419 K460 L461 Y470 I471 L472	C417-L450 HydrophobicContact CB-CD1 3.48Å; C417-L450 VanDerWaalsContact CB-CD1 3.48Å; C417-L450 CarbonylContact O-C 3.59Å; C417-L450 WeakPolarHBondContact O-CA 3.44Å; T419-L450 HydrophobicContact CG2-CD1 4.06Å; T419-L450 HydrophobicContact CG2-CD2 3.89Å; T419-L450 HydrophobicContact CG2-CG 4Å; L450-K460 HydrophobicContact CD1-CB 4.2Å; L450-K460 HydrophobicContact CD2-CB 4.42Å; L450-K460 VanDerWaalsContact CD2-O 3.27Å; L450-K460 WeakPolarHBondContact CD2-O 3.43Å; L450-L461 HydrophobicContact CD2-CD1 4.49Å; L450-Y470 PolarHBondContact N-O 3.4Å; L450-I471 HydrophobicContact CB-CD1 3.85Å; L450-I471 HydrophobicContact CD2-CD1 3.88Å; L450-I471 HydrophobicContact CG-CD1 4.42Å; L450-I471 CarbonylContact O-C 3.6Å; L450-I471 WeakPolarHBondContact O-CA 3.4Å; L450-L472 PolarHBondContact O-N 2.83Å
451	V	97.7	Very high	93.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.9	-177.2	177.1	0	0	0	0	110.7	V416 C417 F418 T419 L421 L472 P474 W476 V477	V416-V451 HydrophobicContact CG1-CB 4.35Å; V416-V451 HydrophobicContact CG1-CG2 3.64Å; C417-V451 PolarHBondContact O-N 3.24Å; F418-V451 WeakPolarHBondContact CA-O 3.42Å; F418-V451 HydrophobicContact CD1-CB 3.71Å; F418-V451 HydrophobicContact CD1-CG1 4Å; F418-V451 HydrophobicContact CE1-CB 3.95Å; F418-V451 HydrophobicContact CE1-CG1 4.06Å; F418-V451 HydrophobicContact CE1-CG2 4.43Å; T419-V451 PolarHBondContact N-O 2.98Å; T419-V451 VanDerWaalsContact N-O 3.07Å; L421-V451 HydrophobicContact CD1-CG1 4.11Å; V451-L472 CarbonylContact C-O 3.54Å; V451-L472 VanDerWaalsContact CA-O 3.28Å; V451-L472 WeakPolarHBondContact CA-O 3.47Å; V451-P474 HydrophobicContact CG1-CB 4.22Å; V451-P474 HydrophobicContact CG1-CG 3.99Å; V451-W476 HydrophobicContact CG2-CE3 4.24Å; V451-W476 HydrophobicContact CG2-CZ3 4.44Å; V451-V477 HydrophobicContact CG2-CG2 4.27Å
452	T	95.2	Very high	93.3	Very high	3 Å²	3	43 Å²	43	2%	0.018	22%	0.22	C	C	.	.			trans	-156	157.8	179.8	-164.8	0	0	0	0	112.7	T419 D454 I471 L472 T473 P474 V494	T419-T452 HydrophobicContact CG2-CG2 4.32Å; T419-T452 WeakPolarHBondContact O-CA 3.22Å; T419-T452 VanDerWaalsContact O-CB 3.24Å; T419-T452 WeakPolarHBondContact O-CB 3.44Å; T419-T452 PolarHBondContact O-OG1 2.9Å; T452-D454 VanDerWaalsContact CG2-O 3.29Å; T452-D454 WeakPolarHBondContact CG2-O 3.5Å; T452-D454 PolarHBondContact OG1-O 3.33Å; T452-I471 HydrophobicContact CG2-CG2 4.08Å; T452-L472 PolarHBondContact N-O 2.92Å; T452-T473 WeakPolarHBondContact O-CA 3.38Å; T452-P474 WeakPolarHBondContact O-CD 3.26Å; T452-V494 HydrophobicContact CG2-CG2 3.92Å; T452-V494 WeakPolarHBondContact O-CG2 3.33Å
453	V	88.3	Confident	93.5	Very high	80 Å²	80	37.5 Å²	37.5	49%	0.485	19%	0.185	S	C	.	.	S	Bend	trans	-84.2	-39.4	179.9	-174.4	0	0	0	0	111.8	L421 P474	L421-V453 HydrophobicContact CD2-CG2 3.42Å; L421-V453 VanDerWaalsContact CD2-CG2 3.42Å; L421-V453 HydrophobicContact CG-CG2 4.45Å; V453-P474 HydrophobicContact CG2-CG 4.11Å
454	D	86.6	Confident	93.7	Very high	34 Å²	34	35.8 Å²	35.8	18%	0.182	17%	0.173	C	C	.	.	S	Bend	trans	-136.1	165.4	-173.5	61.5	30	0	0	0	110.5	T452 K456 D496	T452-D454 VanDerWaalsContact CG2-O 3.29Å; T452-D454 WeakPolarHBondContact CG2-O 3.5Å; T452-D454 PolarHBondContact OG1-O 3.33Å; D454-K456 VanDerWaalsContact C-N 3.26Å; D454-K456 PolarHBondContact O-N 2.93Å; D454-K456 WeakPolarHBondContact OD1-CB 3.48Å; D454-K456 WeakPolarHBondContact OD1-CD 3.42Å; D454-K456 VanDerWaalsContact OD1-CG 3.28Å; D454-K456 WeakPolarHBondContact OD1-CG 3.3Å; D454-K456 PolarHBondContact OD1-N 3.15Å; D454-K456 WeakPolarHBondContact OD2-CD 3.47Å; D454-K456 VanDerWaalsContact OD2-CE 3.23Å; D454-K456 WeakPolarHBondContact OD2-CE 3.46Å; D454-K456 IonicContact OD2-NZ 3.88Å; D454-K456 PolarHBondContact OD2-NZ 2.9Å; D454-D496 WeakPolarHBondContact CB-OD2 3.5Å
455	L	90.2	Very high	93.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.			trans	-94.7	38.3	-179.6	-62	179.5	0	0	0	111.7	R457 L461 I471 V494 D496 N499 E500 F505 V507	L455-R457 PolarHBondContact O-N 3.35Å; L455-L461 HydrophobicContact CB-CD2 4.32Å; L455-L461 HydrophobicContact CD2-CD1 4.02Å; L455-L461 HydrophobicContact CD2-CD2 4.42Å; L455-I471 HydrophobicContact CD2-CG2 3.91Å; L455-V494 HydrophobicContact CD2-CB 4Å; L455-V494 HydrophobicContact CD2-CG1 3.92Å; L455-V494 HydrophobicContact CG-CB 4.39Å; L455-V494 HydrophobicContact CG-CG1 3.87Å; L455-D496 HydrophobicContact CB-CB 4.06Å; L455-D496 HydrophobicContact CD1-CB 3.94Å; L455-D496 HydrophobicContact CG-CB 3.81Å; L455-D496 PolarHBondContact N-OD2 3.43Å; L455-N499 HydrophobicContact CB-CB 4.07Å; L455-E500 HydrophobicContact CD1-CG 3.85Å; L455-F505 HydrophobicContact CB-CZ 4.17Å; L455-F505 HydrophobicContact CD1-CE2 4.2Å; L455-F505 HydrophobicContact CD1-CZ 3.83Å; L455-V507 HydrophobicContact CD1-CB 3.95Å; L455-V507 HydrophobicContact CD1-CG1 4.22Å; L455-V507 HydrophobicContact CD1-CG2 4.41Å; L455-V507 HydrophobicContact CD2-CG2 4.31Å
456	K	85	Confident	94.1	Very high	97 Å²	97	31.4 Å²	31.4	42%	0.422	15%	0.151	S	C	.	.			trans	-60.5	136.9	170.2	-77.5	176.8	-176.9	133.6	0	109.9	D454 T458 L461	D454-K456 VanDerWaalsContact C-N 3.26Å; D454-K456 PolarHBondContact O-N 2.93Å; D454-K456 WeakPolarHBondContact OD1-CB 3.48Å; D454-K456 WeakPolarHBondContact OD1-CD 3.42Å; D454-K456 VanDerWaalsContact OD1-CG 3.28Å; D454-K456 WeakPolarHBondContact OD1-CG 3.3Å; D454-K456 PolarHBondContact OD1-N 3.15Å; D454-K456 WeakPolarHBondContact OD2-CD 3.47Å; D454-K456 VanDerWaalsContact OD2-CE 3.23Å; D454-K456 WeakPolarHBondContact OD2-CE 3.46Å; D454-K456 IonicContact OD2-NZ 3.88Å; D454-K456 PolarHBondContact OD2-NZ 2.9Å; K456-T458 VanDerWaalsContact C-N 3.32Å; K456-T458 PolarHBondContact O-N 3.4Å; K456-L461 WeakPolarHBondContact O-CD2 3.41Å
457	R	86.4	Confident	94.2	Very high	80 Å²	80	29.2 Å²	29.2	30%	0.302	14%	0.139	S	C	.	.			trans	-70.6	82.6	-174.8	-169.4	169.8	65.1	170.4	8.2	112.4	L455 L462 F503 E595 L602	L455-R457 PolarHBondContact O-N 3.35Å; R457-L462 HydrophobicContact CG-CD1 4.16Å; R457-L462 HydrophobicContact CG-CD2 4.25Å; R457-L462 HydrophobicContact CG-CG 4.32Å; R457-F503 HydrophobicContact CB-CE2 4.43Å; R457-F503 HydrophobicContact CB-CZ 4.2Å; R457-E595 IonicContact CZ-OE1 3.94Å; R457-E595 VanDerWaalsContact CZ-OE1 3.27Å; R457-E595 IonicContact CZ-OE2 3.77Å; R457-E595 IonicContact NH1-OE1 2.77Å; R457-E595 PolarHBondContact NH1-OE1 3.4Å; R457-E595 IonicContact NH1-OE2 3.77Å; R457-E595 PolarHBondContact NH1-OE2 3.27Å; R457-E595 IonicContact NH2-OE1 3.55Å; R457-E595 PolarHBondContact NH2-OE1 2.79Å; R457-L602 HydrophobicContact CG-CD1 4.36Å
458	T	91.5	Very high	94.3	Very high	41 Å²	41	29.4 Å²	29.4	25%	0.252	14%	0.141	S	C	.	.			trans	-96	159.8	171.6	72.7	0	0	0	0	110.8	T419 K456 K460 L461 L462	T419-T458 PolarHBondContact OG1-OG1 2.86Å; K456-T458 VanDerWaalsContact C-N 3.32Å; K456-T458 PolarHBondContact O-N 3.4Å; T458-K460 VanDerWaalsContact C-N 3.32Å; T458-K460 PolarHBondContact O-N 2.61Å; T458-L461 PolarHBondContact O-N 3.41Å; T458-L461 WeakPolarHBondContact OG1-CB 3.39Å; T458-L461 PolarHBondContact OG1-N 3.08Å; T458-L461 VanDerWaalsContact OG1-N 3.12Å; T458-L462 WeakPolarHBondContact O-CG 3.22Å; T458-L462 PolarHBondContact O-N 3.46Å; T458-L462 VanDerWaalsContact O-N 3.12Å
459	R	93.2	Very high	94.3	Very high	108 Å²	108	31.6 Å²	31.6	41%	0.408	15%	0.147	S	C	.	.	H	α-helix	trans	-54	-49.2	172.1	176.3	-172.2	160.7	164.2	5.1	111.6	L461 L462 E463 E540 I541	R459-L461 VanDerWaalsContact C-N 3.29Å; R459-L461 PolarHBondContact O-N 3.14Å; R459-L462 PolarHBondContact O-N 3.35Å; R459-L462 VanDerWaalsContact O-N 3.16Å; R459-E463 HydrophobicContact CG-CG 4.44Å; R459-E463 IonicContact CZ-OE1 2.85Å; R459-E463 IonicContact NE-OE1 3.09Å; R459-E463 PolarHBondContact NE-OE1 3.08Å; R459-E463 IonicContact NE-OE2 3.94Å; R459-E463 IonicContact NH2-OE1 3.57Å; R459-E463 PolarHBondContact NH2-OE1 3.39Å; R459-E463 WeakPolarHBondContact O-CG 3.43Å; R459-E463 PolarHBondContact O-N 3.26Å; R459-E540 IonicContact CZ-OE2 3.75Å; R459-E540 IonicContact NH1-OE2 3.15Å; R459-E540 PolarHBondContact NH1-OE2 3.26Å; R459-E540 IonicContact NH2-OE2 2.71Å; R459-E540 PolarHBondContact NH2-OE2 2.88Å; R459-I541 HydrophobicContact CG-CD1 4.36Å; R459-I541 HydrophobicContact CG-CG1 4.3Å
460	K	95.7	Very high	94.3	Very high	68 Å²	68	33.9 Å²	33.9	30%	0.296	16%	0.155	S	C	.	.	H	α-helix	trans	-62.9	-35.8	-178.1	-67.3	-168.2	-179.9	-175.1	0	112.4	F418 T419 V444 L450 T458 G464	F418-K460 VanDerWaalsContact O-CD 3.32Å; F418-K460 WeakPolarHBondContact O-CD 3.49Å; F418-K460 PolarHBondContact O-NZ 3.07Å; T419-K460 HydrophobicContact CG2-CB 4.49Å; V444-K460 HydrophobicContact CG2-CB 3.7Å; V444-K460 HydrophobicContact CG2-CD 4.03Å; V444-K460 HydrophobicContact CG2-CG 3.63Å; L450-K460 HydrophobicContact CD1-CB 4.2Å; L450-K460 HydrophobicContact CD2-CB 4.42Å; L450-K460 VanDerWaalsContact CD2-O 3.27Å; L450-K460 WeakPolarHBondContact CD2-O 3.43Å; T458-K460 VanDerWaalsContact C-N 3.32Å; T458-K460 PolarHBondContact O-N 2.61Å; K460-G464 PolarHBondContact O-N 2.92Å
461	L	97	Very high	94.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-46.2	174.7	-179.9	65.3	0	0	0	111.3	L450 L455 K456 T458 R459 G464 I465 I471 L602	L450-L461 HydrophobicContact CD2-CD1 4.49Å; L455-L461 HydrophobicContact CB-CD2 4.32Å; L455-L461 HydrophobicContact CD2-CD1 4.02Å; L455-L461 HydrophobicContact CD2-CD2 4.42Å; K456-L461 WeakPolarHBondContact O-CD2 3.41Å; T458-L461 PolarHBondContact O-N 3.41Å; T458-L461 WeakPolarHBondContact OG1-CB 3.39Å; T458-L461 PolarHBondContact OG1-N 3.08Å; T458-L461 VanDerWaalsContact OG1-N 3.12Å; R459-L461 VanDerWaalsContact C-N 3.29Å; R459-L461 PolarHBondContact O-N 3.14Å; L461-G464 PolarHBondContact O-N 3.36Å; L461-I465 HydrophobicContact CD1-CD1 3.91Å; L461-I465 HydrophobicContact CD1-CG1 4.28Å; L461-I465 HydrophobicContact CG-CD1 3.93Å; L461-I465 WeakPolarHBondContact O-CG1 3.47Å; L461-I465 PolarHBondContact O-N 2.96Å; L461-I471 HydrophobicContact CD1-CD1 4.39Å; L461-I471 HydrophobicContact CD1-CG1 4.47Å; L461-I471 HydrophobicContact CD1-CG2 3.8Å; L461-L602 HydrophobicContact CD2-CD2 4.45Å
462	L	97.3	Very high	94.3	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-46.5	178.4	-67.2	168.8	0	0	0	111.6	R457 T458 R459 I465 A466 I541 L598 I601 L602	R457-L462 HydrophobicContact CG-CD1 4.16Å; R457-L462 HydrophobicContact CG-CD2 4.25Å; R457-L462 HydrophobicContact CG-CG 4.32Å; T458-L462 WeakPolarHBondContact O-CG 3.22Å; T458-L462 PolarHBondContact O-N 3.46Å; T458-L462 VanDerWaalsContact O-N 3.12Å; R459-L462 PolarHBondContact O-N 3.35Å; R459-L462 VanDerWaalsContact O-N 3.16Å; L462-I465 PolarHBondContact O-N 2.89Å; L462-A466 VanDerWaalsContact O-CB 3.27Å; L462-A466 WeakPolarHBondContact O-CB 3.33Å; L462-A466 PolarHBondContact O-N 3.32Å; L462-I541 HydrophobicContact CD1-CD1 4.09Å; L462-L598 HydrophobicContact CD1-CD2 3.58Å; L462-L598 WeakPolarHBondContact CD2-O 3.2Å; L462-I601 HydrophobicContact CB-CG2 4.15Å; L462-I601 HydrophobicContact CD2-CB 4.15Å; L462-I601 HydrophobicContact CD2-CG2 3.9Å; L462-I601 VanDerWaalsContact O-CG2 3.25Å; L462-I601 WeakPolarHBondContact O-CG2 3.38Å; L462-L602 HydrophobicContact CD2-CD2 3.79Å; L462-L602 HydrophobicContact CD2-CG 3.82Å
463	E	97.3	Very high	94.3	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.051	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-43.4	175.3	-69.8	171.8	165.3	0	0	111.5	V444 R459 I465 A466 L467 T544	V444-E463 HydrophobicContact CB-CB 4.01Å; V444-E463 HydrophobicContact CG1-CB 3.76Å; V444-E463 HydrophobicContact CG2-CB 4.48Å; R459-E463 HydrophobicContact CG-CG 4.44Å; R459-E463 IonicContact CZ-OE1 2.85Å; R459-E463 IonicContact NE-OE1 3.09Å; R459-E463 PolarHBondContact NE-OE1 3.08Å; R459-E463 IonicContact NE-OE2 3.94Å; R459-E463 IonicContact NH2-OE1 3.57Å; R459-E463 PolarHBondContact NH2-OE1 3.39Å; R459-E463 WeakPolarHBondContact O-CG 3.43Å; R459-E463 PolarHBondContact O-N 3.26Å; E463-I465 PolarHBondContact O-N 3.44Å; E463-A466 PolarHBondContact O-N 3.45Å; E463-L467 WeakPolarHBondContact O-CB 3.26Å; E463-L467 WeakPolarHBondContact O-CG 3.33Å; E463-L467 PolarHBondContact O-N 2.98Å; E463-T544 HydrophobicContact CB-CG2 4.02Å; E463-T544 HydrophobicContact CG-CG2 4.12Å
464	G	97.6	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.5	-43.1	179.4	0	0	0	0	0	112.6	K460 L461 G468 R469	K460-G464 PolarHBondContact O-N 2.92Å; L461-G464 PolarHBondContact O-N 3.36Å; G464-G468 PolarHBondContact O-N 3.13Å; G464-R469 WeakPolarHBondContact O-CB 3.4Å; G464-R469 PolarHBondContact O-N 3.15Å
465	I	97.9	Very high	94.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-46.4	175	-69.8	169.1	0	0	0	110.4	L461 L462 E463 L467 G468 I471 F505 A514 I601 L602 Q604	L461-I465 HydrophobicContact CD1-CD1 3.91Å; L461-I465 HydrophobicContact CD1-CG1 4.28Å; L461-I465 HydrophobicContact CG-CD1 3.93Å; L461-I465 WeakPolarHBondContact O-CG1 3.47Å; L461-I465 PolarHBondContact O-N 2.96Å; L462-I465 PolarHBondContact O-N 2.89Å; E463-I465 PolarHBondContact O-N 3.44Å; I465-L467 PolarHBondContact O-N 3.11Å; I465-G468 PolarHBondContact O-N 2.9Å; I465-I471 HydrophobicContact CG1-CD1 4.47Å; I465-I471 HydrophobicContact CG1-CG1 4.26Å; I465-F505 HydrophobicContact CD1-CE2 4.26Å; I465-A514 WeakPolarHBondContact O-CB 3.19Å; I465-I601 HydrophobicContact CB-CG2 4.49Å; I465-I601 HydrophobicContact CG2-CG2 4.39Å; I465-I601 WeakPolarHBondContact CG2-O 3.21Å; I465-L602 HydrophobicContact CD1-CD2 3.65Å; I465-Q604 HydrophobicContact CG2-CG 4.24Å
466	A	97.3	Very high	95.2	Very high	8 Å²	8	33.8 Å²	33.8	7%	0.066	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-31	179.6	0	0	0	0	0	113.3	L462 E463 T544 A545 I601	L462-A466 VanDerWaalsContact O-CB 3.27Å; L462-A466 WeakPolarHBondContact O-CB 3.33Å; L462-A466 PolarHBondContact O-N 3.32Å; E463-A466 PolarHBondContact O-N 3.45Å; A466-T544 HydrophobicContact CB-CG2 4.29Å; A466-A545 HydrophobicContact CB-CB 3.89Å; A466-I601 HydrophobicContact CB-CG2 4.13Å
467	L	96.9	Very high	95.7	Very high	37 Å²	37	29.1 Å²	29.1	19%	0.194	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.5	176.2	-66.8	170.9	0	0	0	113.9	V444 L445 E463 I465 R469 T544	V444-L467 HydrophobicContact CG1-CD1 4.31Å; V444-L467 WeakPolarHBondContact O-CD1 3.39Å; L445-L467 HydrophobicContact CD2-CD1 3.85Å; L445-L467 HydrophobicContact CD2-CD2 4.36Å; E463-L467 WeakPolarHBondContact O-CB 3.26Å; E463-L467 WeakPolarHBondContact O-CG 3.33Å; E463-L467 PolarHBondContact O-N 2.98Å; I465-L467 PolarHBondContact O-N 3.11Å; L467-R469 VanDerWaalsContact C-N 3.32Å; L467-R469 HydrophobicContact CB-CG 3.94Å; L467-R469 PolarHBondContact O-N 3.37Å; L467-T544 HydrophobicContact CD1-CG2 3.88Å; L467-T544 HydrophobicContact CD2-CG2 3.9Å; L467-T544 HydrophobicContact CG-CG2 3.6Å
468	G	96.9	Very high	96.1	Very high	4 Å²	4	28.5 Å²	28.5	4%	0.041	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	31.2	-177.3	0	0	0	0	0	114.2	G464 I465 R515	G464-G468 PolarHBondContact O-N 3.13Å; I465-G468 PolarHBondContact O-N 2.9Å; G468-R515 PolarHBondContact O-NE 3.4Å; G468-R515 PolarHBondContact O-NH2 3.28Å
469	R	97.1	Very high	96.1	Very high	67 Å²	67	30 Å²	30	25%	0.253	13%	0.133	S	C	.	.			trans	-69.9	156.3	176.4	-54	-47	-173.6	-158.9	10.5	111.1	L445 C447 G464 L467 I471	L445-R469 PolarHBondContact O-NH2 3.26Å; C447-R469 WeakPolarHBondContact O-CD 3.22Å; C447-R469 PolarHBondContact O-NE 3.03Å; G464-R469 WeakPolarHBondContact O-CB 3.4Å; G464-R469 PolarHBondContact O-N 3.15Å; L467-R469 VanDerWaalsContact C-N 3.32Å; L467-R469 HydrophobicContact CB-CG 3.94Å; L467-R469 PolarHBondContact O-N 3.37Å; R469-I471 PolarHBondContact O-N 2.78Å
470	Y	97.6	Very high	96.1	Very high	67 Å²	67	24.8 Å²	24.8	26%	0.263	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	119.5	172.4	-66.9	-73.2	0	0	0	110	T448 H449 L450 A489 M490 R515	T448-Y470 PolarHBondContact O-N 2.95Å; H449-Y470 CarbonylContact C-O 3.49Å; H449-Y470 WeakPolarHBondContact CA-O 3.46Å; H449-Y470 AromaticContact CD2-CD2 3.66Å; H449-Y470 AromaticContact CD2-CG 3.91Å; H449-Y470 AromaticContact NE2-CD2 3.44Å; H449-Y470 WeakPolarHBondContact NE2-CD2 3.43Å; L450-Y470 PolarHBondContact N-O 3.4Å; Y470-A489 HydrophobicContact CD1-CB 3.72Å; Y470-A489 HydrophobicContact CD2-CB 4.25Å; Y470-A489 HydrophobicContact CE1-CB 4.05Å; Y470-A489 HydrophobicContact CG-CB 3.83Å; Y470-M490 HydrophobicContact CD1-SD 4.36Å; Y470-M490 HydrophobicContact CE1-CE 3.78Å; Y470-M490 HydrophobicContact CE1-CG 4.4Å; Y470-M490 HydrophobicContact CE1-SD 3.96Å; Y470-R515 VanDerWaalsContact CE1-NH2 3.29Å
471	I	97.8	Very high	95.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	100.3	178.6	-48.7	-56.1	0	0	0	108.5	L450 T452 L455 L461 I465 R469 I493 V494 V507 I511	L450-I471 HydrophobicContact CB-CD1 3.85Å; L450-I471 HydrophobicContact CD2-CD1 3.88Å; L450-I471 HydrophobicContact CG-CD1 4.42Å; L450-I471 CarbonylContact O-C 3.6Å; L450-I471 WeakPolarHBondContact O-CA 3.4Å; T452-I471 HydrophobicContact CG2-CG2 4.08Å; L455-I471 HydrophobicContact CD2-CG2 3.91Å; L461-I471 HydrophobicContact CD1-CD1 4.39Å; L461-I471 HydrophobicContact CD1-CG1 4.47Å; L461-I471 HydrophobicContact CD1-CG2 3.8Å; I465-I471 HydrophobicContact CG1-CD1 4.47Å; I465-I471 HydrophobicContact CG1-CG1 4.26Å; R469-I471 PolarHBondContact O-N 2.78Å; I471-I493 VanDerWaalsContact O-CA 3.3Å; I471-I493 WeakPolarHBondContact O-CA 3.47Å; I471-V494 HydrophobicContact CG2-CG2 4.19Å; I471-V494 PolarHBondContact O-N 3.35Å; I471-V507 HydrophobicContact CB-CG2 4.1Å; I471-V507 HydrophobicContact CG1-CG2 4.13Å; I471-V507 HydrophobicContact CG2-CG2 4.45Å; I471-I511 HydrophobicContact CB-CD1 4.31Å; I471-I511 HydrophobicContact CG1-CD1 3.86Å; I471-I511 HydrophobicContact CG1-CG1 4.33Å
472	L	97.6	Very high	95.6	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151.2	-164.5	-56.4	-170.4	0	0	0	113.7	L450 V451 T452 W476 A489 F492 I493	L450-L472 PolarHBondContact O-N 2.83Å; V451-L472 CarbonylContact C-O 3.54Å; V451-L472 VanDerWaalsContact CA-O 3.28Å; V451-L472 WeakPolarHBondContact CA-O 3.47Å; T452-L472 PolarHBondContact N-O 2.92Å; L472-W476 HydrophobicContact CB-CB 4.35Å; L472-W476 HydrophobicContact CD1-CB 4.08Å; L472-W476 HydrophobicContact CD1-CD2 3.45Å; L472-W476 VanDerWaalsContact CD1-CD2 3.45Å; L472-W476 HydrophobicContact CD1-CE3 3.8Å; L472-W476 HydrophobicContact CD1-CG 3.56Å; L472-W476 HydrophobicContact CD1-CZ2 4.44Å; L472-W476 HydrophobicContact CD1-CZ3 4.44Å; L472-A489 HydrophobicContact CD1-CB 3.93Å; L472-A489 HydrophobicContact CD2-CB 4.24Å; L472-A489 WeakPolarHBondContact CD2-O 3.38Å; L472-F492 WeakPolarHBondContact CA-O 3.18Å; L472-F492 HydrophobicContact CD2-CB 4.26Å; L472-I493 HydrophobicContact CD2-CG1 3.9Å
473	T	95.2	Very high	95.2	Very high	38 Å²	38	38.1 Å²	38.1	23%	0.233	17%	0.172	C	C	.	.			trans	-71.9	153.7	169.5	66.1	0	0	0	0	111.3	T452 Q475 W476 F492 V494	T452-T473 WeakPolarHBondContact O-CA 3.38Å; T473-Q475 PolarHBondContact O-N 3.49Å; T473-W476 WeakPolarHBondContact O-CB 3.3Å; T473-W476 PolarHBondContact O-N 2.99Å; T473-W476 VanDerWaalsContact O-N 3.11Å; T473-F492 PolarHBondContact N-O 2.83Å; T473-F492 PolarHBondContact OG1-O 3.48Å; T473-V494 HydrophobicContact CG2-CB 4.34Å; T473-V494 HydrophobicContact CG2-CG2 3.94Å
474	P	94.6	Very high	94.9	Very high	7 Å²	7	42.8 Å²	42.8	5%	0.045	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-18.9	173.3	-27.4	36.5	0	0	0	114.2	L421 L429 V451 T452 V453 W476 V477 R478	L421-P474 HydrophobicContact CD1-CG 4.4Å; L421-P474 HydrophobicContact CD2-CG 3.91Å; L429-P474 HydrophobicContact CD1-CB 3.9Å; V451-P474 HydrophobicContact CG1-CB 4.22Å; V451-P474 HydrophobicContact CG1-CG 3.99Å; T452-P474 WeakPolarHBondContact O-CD 3.26Å; V453-P474 HydrophobicContact CG2-CG 4.11Å; P474-W476 PolarHBondContact O-N 2.85Å; P474-V477 PolarHBondContact O-N 2.98Å; P474-R478 PolarHBondContact O-N 3.28Å
475	Q	93	Very high	94.6	Very high	68 Å²	68	44.9 Å²	44.9	32%	0.318	21%	0.209	S	C	.	.	H	α-helix	trans	-62.8	-29.4	178.4	-168.9	62.9	2.3	0	0	112.8	T473 V477 R478 Q479 F492	T473-Q475 PolarHBondContact O-N 3.49Å; Q475-V477 VanDerWaalsContact C-N 3.34Å; Q475-V477 PolarHBondContact O-N 3.49Å; Q475-R478 PolarHBondContact O-N 3.46Å; Q475-Q479 HydrophobicContact CG-CG 3.96Å; Q475-Q479 WeakPolarHBondContact O-CB 3.48Å; Q475-Q479 WeakPolarHBondContact O-CG 3.45Å; Q475-Q479 PolarHBondContact O-N 2.86Å; Q475-F492 HydrophobicContact CB-CD1 4.35Å; Q475-F492 HydrophobicContact CG-CD1 4.47Å; Q475-F492 HydrophobicContact CG-CE1 4.27Å
476	W	96.9	Very high	94.4	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-56.7	-48.6	173.7	175.4	68.7	0	0	0	111.6	V414 V416 H449 V451 L472 T473 P474 S480 F486 L487 F492	V414-W476 HydrophobicContact CG1-CH2 3.6Å; V414-W476 HydrophobicContact CG1-CZ2 4.29Å; V416-W476 HydrophobicContact CG2-CH2 4.17Å; V416-W476 HydrophobicContact CG2-CZ3 3.92Å; H449-W476 HydrophobicContact CB-CH2 4.38Å; H449-W476 HydrophobicContact CB-CZ3 4.38Å; V451-W476 HydrophobicContact CG2-CE3 4.24Å; V451-W476 HydrophobicContact CG2-CZ3 4.44Å; L472-W476 HydrophobicContact CB-CB 4.35Å; L472-W476 HydrophobicContact CD1-CB 4.08Å; L472-W476 HydrophobicContact CD1-CD2 3.45Å; L472-W476 VanDerWaalsContact CD1-CD2 3.45Å; L472-W476 HydrophobicContact CD1-CE3 3.8Å; L472-W476 HydrophobicContact CD1-CG 3.56Å; L472-W476 HydrophobicContact CD1-CZ2 4.44Å; L472-W476 HydrophobicContact CD1-CZ3 4.44Å; T473-W476 WeakPolarHBondContact O-CB 3.3Å; T473-W476 PolarHBondContact O-N 2.99Å; T473-W476 VanDerWaalsContact O-N 3.11Å; P474-W476 PolarHBondContact O-N 2.85Å; W476-S480 WeakPolarHBondContact O-CB 3.24Å; W476-S480 PolarHBondContact O-N 3.02Å; W476-S480 PolarHBondContact O-OG 2.99Å; W476-F486 AromaticContact CH2-CD1 3.73Å; W476-F486 HydrophobicContact CH2-CD1 3.73Å; W476-F486 AromaticContact CH2-CE1 3.85Å; W476-F486 HydrophobicContact CH2-CE1 3.85Å; W476-F486 HydrophobicContact CZ2-CB 4.49Å; W476-F486 AromaticContact CZ2-CD1 3.55Å; W476-F486 HydrophobicContact CZ2-CD1 3.55Å; W476-F486 HydrophobicContact CZ2-CE1 4.17Å; W476-F486 HydrophobicContact CZ2-CG 4.34Å; W476-F486 HydrophobicContact CZ3-CE1 4.5Å; W476-L487 PolarHBondContact NE1-O 2.89Å; W476-F492 HydrophobicContact CB-CB 3.65Å; W476-F492 HydrophobicContact CB-CD1 3.94Å; W476-F492 HydrophobicContact CB-CD2 4.16Å; W476-F492 HydrophobicContact CB-CG 3.64Å; W476-F492 AromaticContact CD1-CD2 3.53Å; W476-F492 AromaticContact CD1-CG 3.93Å; W476-F492 HydrophobicContact CG-CB 4.25Å; W476-F492 HydrophobicContact CG-CD2 4.22Å; W476-F492 HydrophobicContact CG-CG 4.17Å
477	V	95.5	Very high	94.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-44.9	177.4	178.9	0	0	0	0	110.6	L429 K432 I433 V451 P474 Q475 Q479 Y481	L429-V477 HydrophobicContact CB-CG1 4.23Å; L429-V477 HydrophobicContact CD2-CB 4.02Å; L429-V477 HydrophobicContact CD2-CG1 3.9Å; K432-V477 HydrophobicContact CB-CG1 3.79Å; K432-V477 HydrophobicContact CD-CG1 4.49Å; I433-V477 HydrophobicContact CD1-CG1 4.36Å; I433-V477 HydrophobicContact CD1-CG2 3.99Å; I433-V477 HydrophobicContact CG1-CG1 3.8Å; I433-V477 HydrophobicContact CG1-CG2 4Å; V451-V477 HydrophobicContact CG2-CG2 4.27Å; P474-V477 PolarHBondContact O-N 2.98Å; Q475-V477 VanDerWaalsContact C-N 3.34Å; Q475-V477 PolarHBondContact O-N 3.49Å; V477-Q479 PolarHBondContact O-N 2.98Å; V477-Y481 VanDerWaalsContact O-CB 3.3Å; V477-Y481 WeakPolarHBondContact O-CB 3.39Å; V477-Y481 PolarHBondContact O-N 2.85Å
478	R	93.7	Very high	93.9	Very high	67 Å²	67	51.6 Å²	51.6	25%	0.253	24%	0.239	S	C	.	.	H	α-helix	trans	-65	-41.5	-177.6	-62.6	-174.1	-161.5	116.2	-3.3	112.4	E425 L429 P474 Q475 K482	E425-R478 IonicContact OE1-CZ 3.91Å; E425-R478 IonicContact OE1-NH2 3.7Å; E425-R478 PolarHBondContact OE1-NH2 2.64Å; L429-R478 HydrophobicContact CD2-CG 4.04Å; P474-R478 PolarHBondContact O-N 3.28Å; Q475-R478 PolarHBondContact O-N 3.46Å; R478-K482 WeakPolarHBondContact O-CG 3.27Å; R478-K482 PolarHBondContact O-N 3.05Å
479	Q	91.8	Very high	93.7	Very high	71 Å²	71	51.9 Å²	51.9	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-77.3	-38.3	179.2	-71	-172.1	-3.7	0	0	112	Q475 V477 Y481 K482 Q483 L487 F492	Q475-Q479 HydrophobicContact CG-CG 3.96Å; Q475-Q479 WeakPolarHBondContact O-CB 3.48Å; Q475-Q479 WeakPolarHBondContact O-CG 3.45Å; Q475-Q479 PolarHBondContact O-N 2.86Å; V477-Q479 PolarHBondContact O-N 2.98Å; Q479-Y481 VanDerWaalsContact C-N 3.25Å; Q479-Y481 PolarHBondContact O-N 3.35Å; Q479-K482 PolarHBondContact O-N 3.26Å; Q479-Q483 WeakPolarHBondContact O-CG 3.05Å; Q479-Q483 PolarHBondContact O-N 3.11Å; Q479-L487 HydrophobicContact CB-CD1 3.54Å; Q479-F492 HydrophobicContact CB-CE1 4.33Å; Q479-F492 HydrophobicContact CB-CZ 4.31Å; Q479-F492 HydrophobicContact CG-CE1 4.42Å
480	S	94.1	Very high	93.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-41.5	172	-61	0	0	0	0	111.4	W476 Q483 Q484 S485 L487	W476-S480 WeakPolarHBondContact O-CB 3.24Å; W476-S480 PolarHBondContact O-N 3.02Å; W476-S480 PolarHBondContact O-OG 2.99Å; S480-Q483 CarbonylContact O-C 3.56Å; S480-Q483 PolarHBondContact O-N 3.17Å; S480-Q484 WeakPolarHBondContact O-CA 3.43Å; S480-Q484 PolarHBondContact O-N 3.07Å; S480-S485 CarbonylContact C-O 3.55Å; S480-S485 WeakPolarHBondContact CA-O 3.43Å; S480-S485 VanDerWaalsContact CB-O 3.27Å; S480-S485 WeakPolarHBondContact CB-O 3.31Å; S480-S485 PolarHBondContact O-N 2.8Å; S480-S485 VanDerWaalsContact O-N 3.08Å; S480-S485 VanDerWaalsContact O-O 3.08Å; S480-L487 PolarHBondContact OG-N 2.85Å
481	Y	91.4	Very high	93.2	Very high	54 Å²	54	56 Å²	56	21%	0.212	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-44.9	175.9	-178.2	-104.9	0	0	0	112.2	P398 K432 W435 V477 Q479 Q483 Q484	P398-Y481 WeakPolarHBondContact CA-OH 3.36Å; P398-Y481 HydrophobicContact CB-CE2 4.06Å; P398-Y481 WeakPolarHBondContact CB-OH 3.29Å; P398-Y481 HydrophobicContact CG-CE2 3.68Å; K432-Y481 HydrophobicContact CB-CD2 3.96Å; K432-Y481 HydrophobicContact CB-CG 4.14Å; K432-Y481 HydrophobicContact CD-CD1 4.14Å; K432-Y481 HydrophobicContact CD-CG 4.01Å; K432-Y481 HydrophobicContact CG-CD1 4.18Å; K432-Y481 HydrophobicContact CG-CD2 3.78Å; K432-Y481 HydrophobicContact CG-CE2 4.22Å; K432-Y481 HydrophobicContact CG-CG 3.77Å; W435-Y481 HydrophobicContact CB-CE2 4.36Å; W435-Y481 HydrophobicContact CD2-CD2 4.13Å; W435-Y481 AromaticContact CD2-CE2 3.53Å; W435-Y481 HydrophobicContact CD2-CE2 3.53Å; W435-Y481 AromaticContact CE3-CD2 3.59Å; W435-Y481 HydrophobicContact CE3-CD2 3.59Å; W435-Y481 AromaticContact CE3-CE2 3.44Å; W435-Y481 HydrophobicContact CE3-CE2 3.44Å; W435-Y481 VanDerWaalsContact CE3-CE2 3.44Å; W435-Y481 AromaticContact CG-CE2 3.95Å; W435-Y481 HydrophobicContact CG-CE2 3.95Å; W435-Y481 HydrophobicContact CH2-CE2 4.3Å; W435-Y481 HydrophobicContact CZ2-CE2 4.43Å; W435-Y481 AromaticContact CZ3-CD2 3.95Å; W435-Y481 HydrophobicContact CZ3-CD2 3.95Å; W435-Y481 AromaticContact CZ3-CE2 3.84Å; W435-Y481 HydrophobicContact CZ3-CE2 3.84Å; V477-Y481 VanDerWaalsContact O-CB 3.3Å; V477-Y481 WeakPolarHBondContact O-CB 3.39Å; V477-Y481 PolarHBondContact O-N 2.85Å; Q479-Y481 VanDerWaalsContact C-N 3.25Å; Q479-Y481 PolarHBondContact O-N 3.35Å; Y481-Q483 VanDerWaalsContact C-N 3.35Å; Y481-Q483 PolarHBondContact O-N 3.28Å; Y481-Q484 PolarHBondContact O-N 3.41Å; Y481-Q484 VanDerWaalsContact O-N 3.12Å
482	K	90.1	Very high	93.1	Very high	165 Å²	165	56.8 Å²	56.8	72%	0.717	27%	0.269	S	S	*	.	H	α-helix	trans	-62	-39.9	176.4	-74.3	-179.6	177.9	-169.1	0	113	R478 Q479 Q484	R478-K482 WeakPolarHBondContact O-CG 3.27Å; R478-K482 PolarHBondContact O-N 3.05Å; Q479-K482 PolarHBondContact O-N 3.26Å; K482-Q484 PolarHBondContact O-N 2.81Å
483	Q	90.2	Very high	93.1	Very high	134 Å²	134	57.2 Å²	57.2	63%	0.626	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.4	177.5	-65.7	-64.9	-14.2	0	0	112.9	Q479 S480 Y481 S485 L487	Q479-Q483 WeakPolarHBondContact O-CG 3.05Å; Q479-Q483 PolarHBondContact O-N 3.11Å; S480-Q483 CarbonylContact O-C 3.56Å; S480-Q483 PolarHBondContact O-N 3.17Å; Y481-Q483 VanDerWaalsContact C-N 3.35Å; Y481-Q483 PolarHBondContact O-N 3.28Å; Q483-S485 PolarHBondContact O-N 2.79Å; Q483-S485 VanDerWaalsContact O-N 3.11Å; Q483-L487 HydrophobicContact CB-CD2 4.16Å; Q483-L487 HydrophobicContact CG-CD1 4.43Å; Q483-L487 HydrophobicContact CG-CD2 4.17Å
484	Q	89.4	Confident	93	Very high	109 Å²	109	55.5 Å²	55.5	51%	0.509	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	25.7	-177.7	-51.1	-167.1	-16	0	0	114.9	W435 S480 Y481 K482	W435-Q484 HydrophobicContact CH2-CB 4.23Å; W435-Q484 HydrophobicContact CH2-CG 3.91Å; W435-Q484 HydrophobicContact CZ3-CB 4.23Å; W435-Q484 HydrophobicContact CZ3-CG 4.25Å; S480-Q484 WeakPolarHBondContact O-CA 3.43Å; S480-Q484 PolarHBondContact O-N 3.07Å; Y481-Q484 PolarHBondContact O-N 3.41Å; Y481-Q484 VanDerWaalsContact O-N 3.12Å; K482-Q484 PolarHBondContact O-N 2.81Å
485	S	91.1	Very high	92.8	Very high	45 Å²	45	63.4 Å²	63.4	32%	0.315	29%	0.294	S	S	.	.	S	Bend	trans	-157.1	147.8	178.6	-171	0	0	0	0	109.9	S480 Q483 L487	S480-S485 CarbonylContact C-O 3.55Å; S480-S485 WeakPolarHBondContact CA-O 3.43Å; S480-S485 VanDerWaalsContact CB-O 3.27Å; S480-S485 WeakPolarHBondContact CB-O 3.31Å; S480-S485 PolarHBondContact O-N 2.8Å; S480-S485 VanDerWaalsContact O-N 3.08Å; S480-S485 VanDerWaalsContact O-O 3.08Å; Q483-S485 PolarHBondContact O-N 2.79Å; Q483-S485 VanDerWaalsContact O-N 3.11Å; S485-L487 PolarHBondContact O-N 2.89Å
486	F	93.5	Very high	92.6	Very high	38 Å²	38	61.5 Å²	61.5	17%	0.167	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-64.2	123.2	176.7	-75.1	-65.1	0	0	0	110.9	A411 V414 I433 L436 W476	A411-F486 HydrophobicContact CB-CD2 4.25Å; A411-F486 HydrophobicContact CB-CE2 4.2Å; V414-F486 HydrophobicContact CB-CD2 4.18Å; V414-F486 HydrophobicContact CB-CE2 3.87Å; V414-F486 HydrophobicContact CB-CZ 4.05Å; V414-F486 HydrophobicContact CG1-CD1 4.12Å; V414-F486 HydrophobicContact CG1-CD2 4.36Å; V414-F486 HydrophobicContact CG1-CE1 3.73Å; V414-F486 HydrophobicContact CG1-CE2 3.99Å; V414-F486 HydrophobicContact CG1-CG 4.43Å; V414-F486 HydrophobicContact CG1-CZ 3.66Å; V414-F486 HydrophobicContact CG2-CD2 3.75Å; V414-F486 HydrophobicContact CG2-CE2 3.96Å; V414-F486 HydrophobicContact CG2-CG 4.06Å; V414-F486 HydrophobicContact CG2-CZ 4.47Å; I433-F486 HydrophobicContact CG2-CZ 4.41Å; L436-F486 HydrophobicContact CB-CD2 4.38Å; L436-F486 HydrophobicContact CB-CE1 3.92Å; L436-F486 HydrophobicContact CB-CE2 3.73Å; L436-F486 HydrophobicContact CB-CZ 3.46Å; L436-F486 VanDerWaalsContact CB-CZ 3.46Å; L436-F486 HydrophobicContact CD1-CD1 4.12Å; L436-F486 HydrophobicContact CD1-CE1 3.75Å; L436-F486 HydrophobicContact CD1-CZ 4.19Å; L436-F486 HydrophobicContact CG-CE1 4.5Å; L436-F486 HydrophobicContact CG-CZ 4.48Å; L436-F486 WeakPolarHBondContact O-CE2 3.41Å; W476-F486 AromaticContact CH2-CD1 3.73Å; W476-F486 HydrophobicContact CH2-CD1 3.73Å; W476-F486 AromaticContact CH2-CE1 3.85Å; W476-F486 HydrophobicContact CH2-CE1 3.85Å; W476-F486 HydrophobicContact CZ2-CB 4.49Å; W476-F486 AromaticContact CZ2-CD1 3.55Å; W476-F486 HydrophobicContact CZ2-CD1 3.55Å; W476-F486 HydrophobicContact CZ2-CE1 4.17Å; W476-F486 HydrophobicContact CZ2-CG 4.34Å; W476-F486 HydrophobicContact CZ3-CE1 4.5Å
487	L	93	Very high	92.1	Very high	52 Å²	52	69.2 Å²	69.2	27%	0.272	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-81.5	162.1	178.2	-62.7	176.9	0	0	0	111.9	W476 Q479 S480 Q483 S485 A489 F492	W476-L487 PolarHBondContact NE1-O 2.89Å; Q479-L487 HydrophobicContact CB-CD1 3.54Å; S480-L487 PolarHBondContact OG-N 2.85Å; Q483-L487 HydrophobicContact CB-CD2 4.16Å; Q483-L487 HydrophobicContact CG-CD1 4.43Å; Q483-L487 HydrophobicContact CG-CD2 4.17Å; S485-L487 PolarHBondContact O-N 2.89Å; L487-A489 PolarHBondContact O-N 2.69Å; L487-F492 HydrophobicContact CB-CE2 3.79Å; L487-F492 HydrophobicContact CB-CZ 4.34Å; L487-F492 HydrophobicContact CD1-CE2 4.05Å; L487-F492 HydrophobicContact CD1-CZ 3.73Å
488	E	92.4	Very high	91.4	Very high	96 Å²	96	71.6 Å²	71.6	45%	0.449	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61.5	120.5	178.7	-163.6	-87.5	114.9	0	0	111.3	M490 Q491 F492	E488-M490 PolarHBondContact O-N 3.32Å; E488-M490 WeakPolarHBondContact OE1-CA 3.41Å; E488-M490 WeakPolarHBondContact OE1-CB 3.43Å; E488-M490 VanDerWaalsContact OE1-CG 3.28Å; E488-M490 WeakPolarHBondContact OE1-CG 3.12Å; E488-M490 PolarHBondContact OE1-N 3.13Å; E488-Q491 VanDerWaalsContact OE2-CG 3.32Å; E488-Q491 WeakPolarHBondContact OE2-CG 3.32Å; E488-Q491 PolarHBondContact OE2-NE2 3.06Å; E488-F492 VanDerWaalsContact O-CD2 3.31Å; E488-F492 WeakPolarHBondContact O-CD2 3.49Å
489	A	92.9	Very high	90.9	Very high	9 Å²	9	70.2 Å²	70.2	7%	0.074	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-65.7	-35.3	-167.3	0	0	0	0	0	114	Y470 L472 L487 Q491 F492	Y470-A489 HydrophobicContact CD1-CB 3.72Å; Y470-A489 HydrophobicContact CD2-CB 4.25Å; Y470-A489 HydrophobicContact CE1-CB 4.05Å; Y470-A489 HydrophobicContact CG-CB 3.83Å; L472-A489 HydrophobicContact CD1-CB 3.93Å; L472-A489 HydrophobicContact CD2-CB 4.24Å; L472-A489 WeakPolarHBondContact CD2-O 3.38Å; L487-A489 PolarHBondContact O-N 2.69Å; A489-Q491 PolarHBondContact O-N 2.92Å; A489-F492 PolarHBondContact O-N 2.87Å
490	M	90.8	Very high	90.8	Very high	76 Å²	76	68.1 Å²	68.1	37%	0.374	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-64.1	-26.4	-172.6	-66.4	-69.1	-164.9	0	0	113.2	Y470 E488 F492 I493	Y470-M490 HydrophobicContact CD1-SD 4.36Å; Y470-M490 HydrophobicContact CE1-CE 3.78Å; Y470-M490 HydrophobicContact CE1-CG 4.4Å; Y470-M490 HydrophobicContact CE1-SD 3.96Å; E488-M490 PolarHBondContact O-N 3.32Å; E488-M490 WeakPolarHBondContact OE1-CA 3.41Å; E488-M490 WeakPolarHBondContact OE1-CB 3.43Å; E488-M490 VanDerWaalsContact OE1-CG 3.28Å; E488-M490 WeakPolarHBondContact OE1-CG 3.12Å; E488-M490 PolarHBondContact OE1-N 3.13Å; M490-F492 PolarHBondContact O-N 3.43Å; M490-I493 HydrophobicContact SD-CD1 3.45Å; M490-I493 WeakPolarHBondContact SD-CD1 3.36Å
491	Q	92.5	Very high	90.1	Very high	145 Å²	145	76.3 Å²	76.3	68%	0.678	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-68	-21.3	176.9	-68.6	170.3	37.5	0	0	112.9	E488 A489	E488-Q491 VanDerWaalsContact OE2-CG 3.32Å; E488-Q491 WeakPolarHBondContact OE2-CG 3.32Å; E488-Q491 PolarHBondContact OE2-NE2 3.06Å; A489-Q491 PolarHBondContact O-N 2.92Å
492	F	96.3	Very high	89.6	Confident	17 Å²	17	81.1 Å²	81.1	8%	0.075	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-111.1	9.7	-173.9	-61.6	-87.5	0	0	0	114.2	L472 T473 Q475 W476 Q479 L487 E488 A489 M490 V494	L472-F492 WeakPolarHBondContact CA-O 3.18Å; L472-F492 HydrophobicContact CD2-CB 4.26Å; T473-F492 PolarHBondContact N-O 2.83Å; T473-F492 PolarHBondContact OG1-O 3.48Å; Q475-F492 HydrophobicContact CB-CD1 4.35Å; Q475-F492 HydrophobicContact CG-CD1 4.47Å; Q475-F492 HydrophobicContact CG-CE1 4.27Å; W476-F492 HydrophobicContact CB-CB 3.65Å; W476-F492 HydrophobicContact CB-CD1 3.94Å; W476-F492 HydrophobicContact CB-CD2 4.16Å; W476-F492 HydrophobicContact CB-CG 3.64Å; W476-F492 AromaticContact CD1-CD2 3.53Å; W476-F492 AromaticContact CD1-CG 3.93Å; W476-F492 HydrophobicContact CG-CB 4.25Å; W476-F492 HydrophobicContact CG-CD2 4.22Å; W476-F492 HydrophobicContact CG-CG 4.17Å; Q479-F492 HydrophobicContact CB-CE1 4.33Å; Q479-F492 HydrophobicContact CB-CZ 4.31Å; Q479-F492 HydrophobicContact CG-CE1 4.42Å; L487-F492 HydrophobicContact CB-CE2 3.79Å; L487-F492 HydrophobicContact CB-CZ 4.34Å; L487-F492 HydrophobicContact CD1-CE2 4.05Å; L487-F492 HydrophobicContact CD1-CZ 3.73Å; E488-F492 VanDerWaalsContact O-CD2 3.31Å; E488-F492 WeakPolarHBondContact O-CD2 3.49Å; A489-F492 PolarHBondContact O-N 2.87Å; M490-F492 PolarHBondContact O-N 3.43Å; F492-V494 PolarHBondContact O-N 2.86Å
493	I	96	Very high	89.3	Confident	9 Å²	9	74.3 Å²	74.3	5%	0.046	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-55.5	132.6	175.5	-71.5	179.5	0	0	0	109.8	I471 L472 M490 K495 V507 K508	I471-I493 VanDerWaalsContact O-CA 3.3Å; I471-I493 WeakPolarHBondContact O-CA 3.47Å; L472-I493 HydrophobicContact CD2-CG1 3.9Å; M490-I493 HydrophobicContact SD-CD1 3.45Å; M490-I493 WeakPolarHBondContact SD-CD1 3.36Å; I493-K495 PolarHBondContact O-N 3.15Å; I493-V507 HydrophobicContact CG2-CG1 3.56Å; I493-K508 HydrophobicContact CD1-CD 4.45Å; I493-K508 HydrophobicContact CD1-CG 3.91Å; I493-K508 HydrophobicContact CG2-CG 3.87Å
494	V	94.5	Very high	89.2	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.012	36%	0.356	C	S	.	.			trans	-57	130.1	179.6	-177.5	0	0	0	0	109.8	T452 L455 I471 T473 F492 D496 V507	T452-V494 HydrophobicContact CG2-CG2 3.92Å; T452-V494 WeakPolarHBondContact O-CG2 3.33Å; L455-V494 HydrophobicContact CD2-CB 4Å; L455-V494 HydrophobicContact CD2-CG1 3.92Å; L455-V494 HydrophobicContact CG-CB 4.39Å; L455-V494 HydrophobicContact CG-CG1 3.87Å; I471-V494 HydrophobicContact CG2-CG2 4.19Å; I471-V494 PolarHBondContact O-N 3.35Å; T473-V494 HydrophobicContact CG2-CB 4.34Å; T473-V494 HydrophobicContact CG2-CG2 3.94Å; F492-V494 PolarHBondContact O-N 2.86Å; V494-D496 HydrophobicContact CG1-CB 4.4Å; V494-V507 WeakPolarHBondContact O-CG1 3.34Å
495	K	89.4	Confident	89.4	Confident	172 Å²	172	65.7 Å²	65.7	75%	0.748	34%	0.335	S	S	*	.			trans	-111.5	116.3	171	-64.6	-178.4	-178	179.1	0	107.7	I493	I493-K495 PolarHBondContact O-N 3.15Å
496	D	90	Very high	89.5	Confident	29 Å²	29	67 Å²	67	16%	0.155	34%	0.338	C	S	.	.			trans	-140.5	80.1	-177.9	-177.2	-12.3	0	0	0	109.1	D454 L455 V494 G498 N499 E500	D454-D496 WeakPolarHBondContact CB-OD2 3.5Å; L455-D496 HydrophobicContact CB-CB 4.06Å; L455-D496 HydrophobicContact CD1-CB 3.94Å; L455-D496 HydrophobicContact CG-CB 3.81Å; L455-D496 PolarHBondContact N-OD2 3.43Å; V494-D496 HydrophobicContact CG1-CB 4.4Å; D496-G498 PolarHBondContact O-N 2.77Å; D496-G498 VanDerWaalsContact O-N 3.15Å; D496-G498 PolarHBondContact OD1-N 3.04Å; D496-N499 PolarHBondContact O-N 3.33Å; D496-N499 PolarHBondContact OD1-N 3.48Å; D496-N499 VanDerWaalsContact OD1-N 3.12Å; D496-N499 PolarHBondContact OD2-ND2 2.97Å; D496-E500 VanDerWaalsContact O-CB 3.28Å; D496-E500 WeakPolarHBondContact O-CB 3.36Å; D496-E500 VanDerWaalsContact O-CG 3.31Å; D496-E500 WeakPolarHBondContact O-CG 3.38Å; D496-E500 PolarHBondContact O-N 3.35Å
497	E	85.3	Confident	89.6	Confident	163 Å²	163	65.2 Å²	65.2	76%	0.762	33%	0.331	S	S	*	.	H	α-helix	trans	-57.9	-30.6	-175.5	-63	-178.8	178.2	0	0	112.5	K501	E497-K501 WeakPolarHBondContact O-CB 3.29Å; E497-K501 PolarHBondContact O-N 3.27Å
498	G	80.6	Confident	89.7	Confident	51 Å²	51	67.4 Å²	67.4	53%	0.526	34%	0.338	S	S	.	.	H	α-helix	trans	-64.5	-56.6	179	0	0	0	0	0	111.6	D496 F502	D496-G498 PolarHBondContact O-N 2.77Å; D496-G498 VanDerWaalsContact O-N 3.15Å; D496-G498 PolarHBondContact OD1-N 3.04Å; G498-F502 VanDerWaalsContact O-CB 3.3Å; G498-F502 WeakPolarHBondContact O-CB 3.34Å; G498-F502 PolarHBondContact O-N 3.26Å
499	N	83.6	Confident	89.8	Confident	37 Å²	37	66.4 Å²	66.4	20%	0.198	34%	0.336	C	S	.	.	H	α-helix	trans	-71.1	-36.8	179.4	-76.7	-52.9	0	0	0	112.2	L455 D496 K501 F502 F503	L455-N499 HydrophobicContact CB-CB 4.07Å; D496-N499 PolarHBondContact O-N 3.33Å; D496-N499 PolarHBondContact OD1-N 3.48Å; D496-N499 VanDerWaalsContact OD1-N 3.12Å; D496-N499 PolarHBondContact OD2-ND2 2.97Å; N499-K501 PolarHBondContact O-N 3.48Å; N499-F502 PolarHBondContact O-N 3.14Å; N499-F503 HydrophobicContact CB-CD2 4.44Å; N499-F503 WeakPolarHBondContact O-CD2 3.17Å; N499-F503 PolarHBondContact O-N 3.39Å
500	E	89.1	Confident	90	Very high	27 Å²	27	66 Å²	66	13%	0.126	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-45	175.3	-77.5	-171.8	131.6	0	0	111.6	L455 D496 G504 F505 N506 V507	L455-E500 HydrophobicContact CD1-CG 3.85Å; D496-E500 VanDerWaalsContact O-CB 3.28Å; D496-E500 WeakPolarHBondContact O-CB 3.36Å; D496-E500 VanDerWaalsContact O-CG 3.31Å; D496-E500 WeakPolarHBondContact O-CG 3.38Å; D496-E500 PolarHBondContact O-N 3.35Å; E500-G504 CarbonylContact O-C 3.55Å; E500-G504 WeakPolarHBondContact O-CA 3.37Å; E500-G504 PolarHBondContact O-N 2.89Å; E500-F505 VanDerWaalsContact CB-O 3.22Å; E500-F505 WeakPolarHBondContact CB-O 3.4Å; E500-F505 HydrophobicContact CG-CE1 4.2Å; E500-F505 HydrophobicContact CG-CZ 4.22Å; E500-F505 WeakPolarHBondContact CG-O 3.36Å; E500-F505 PolarHBondContact O-N 3.45Å; E500-N506 WeakPolarHBondContact OE1-CA 3.49Å; E500-N506 PolarHBondContact OE1-ND2 3.12Å; E500-V507 PolarHBondContact OE1-N 2.92Å
501	K	81	Confident	90.2	Very high	173 Å²	173	62.5 Å²	62.5	75%	0.752	32%	0.315	S	S	*	.	H	α-helix	trans	-68.4	-41.4	175.5	-174.3	176.1	-179.4	177.8	0	112.2	E497 N499 G504	E497-K501 WeakPolarHBondContact O-CB 3.29Å; E497-K501 PolarHBondContact O-N 3.27Å; N499-K501 PolarHBondContact O-N 3.48Å; K501-G504 PolarHBondContact O-N 3.47Å
502	F	79.1	Confident	90.3	Very high	155 Å²	155	61.3 Å²	61.3	68%	0.68	31%	0.308	S	S	*	.	H	α-helix	trans	-63	-46.4	-179.1	-177.3	-97.9	0	0	0	112.2	G498 N499	G498-F502 VanDerWaalsContact O-CB 3.3Å; G498-F502 WeakPolarHBondContact O-CB 3.34Å; G498-F502 PolarHBondContact O-N 3.26Å; N499-F502 PolarHBondContact O-N 3.14Å
503	F	84.3	Confident	90.3	Very high	22 Å²	22	64.3 Å²	64.3	10%	0.096	32%	0.319	C	S	.	.	H	α-helix	trans	-89.4	-7.9	178	-65	-68.7	0	0	0	113.3	R457 N499 F505 L602 R603	R457-F503 HydrophobicContact CB-CE2 4.43Å; R457-F503 HydrophobicContact CB-CZ 4.2Å; N499-F503 HydrophobicContact CB-CD2 4.44Å; N499-F503 WeakPolarHBondContact O-CD2 3.17Å; N499-F503 PolarHBondContact O-N 3.39Å; F503-F505 HydrophobicContact CB-CD1 3.66Å; F503-F505 HydrophobicContact CB-CE1 3.91Å; F503-F505 HydrophobicContact CD2-CE1 4.31Å; F503-L602 HydrophobicContact CB-CD1 3.87Å; F503-L602 HydrophobicContact CD1-CD1 3.97Å; F503-L602 HydrophobicContact CD2-CD1 3.98Å; F503-L602 HydrophobicContact CG-CD1 3.66Å; F503-R603 PolarHBondContact O-NE 3.36Å; F503-R603 PolarHBondContact O-NH2 3.49Å
504	G	88.6	Confident	90.4	Very high	45 Å²	45	64.4 Å²	64.4	46%	0.464	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	45.1	177.7	0	0	0	0	0	113.3	E500 K501 R603	E500-G504 CarbonylContact O-C 3.55Å; E500-G504 WeakPolarHBondContact O-CA 3.37Å; E500-G504 PolarHBondContact O-N 2.89Å; K501-G504 PolarHBondContact O-N 3.47Å; G504-R603 PolarHBondContact O-NE 3.41Å
505	F	92.6	Very high	90.4	Very high	17 Å²	17	69.3 Å²	69.3	8%	0.075	34%	0.339	C	S	.	.			trans	-132.7	164.2	178.4	79.3	-68.3	0	0	0	111.2	L455 I465 E500 F503 V507 L602 R603	L455-F505 HydrophobicContact CB-CZ 4.17Å; L455-F505 HydrophobicContact CD1-CE2 4.2Å; L455-F505 HydrophobicContact CD1-CZ 3.83Å; I465-F505 HydrophobicContact CD1-CE2 4.26Å; E500-F505 VanDerWaalsContact CB-O 3.22Å; E500-F505 WeakPolarHBondContact CB-O 3.4Å; E500-F505 HydrophobicContact CG-CE1 4.2Å; E500-F505 HydrophobicContact CG-CZ 4.22Å; E500-F505 WeakPolarHBondContact CG-O 3.36Å; E500-F505 PolarHBondContact O-N 3.45Å; F503-F505 HydrophobicContact CB-CD1 3.66Å; F503-F505 HydrophobicContact CB-CE1 3.91Å; F503-F505 HydrophobicContact CD2-CE1 4.31Å; F505-V507 HydrophobicContact CE2-CB 4.08Å; F505-L602 HydrophobicContact CB-CB 4.45Å; F505-L602 WeakPolarHBondContact CB-O 3.41Å; F505-L602 HydrophobicContact CD1-CB 4.26Å; F505-L602 HydrophobicContact CD2-CB 4.25Å; F505-L602 WeakPolarHBondContact CD2-O 3.33Å; F505-L602 HydrophobicContact CE1-CD1 4.41Å; F505-L602 HydrophobicContact CE2-CD2 4.3Å; F505-L602 HydrophobicContact CG-CB 4.07Å; F505-L602 WeakPolarHBondContact CG-O 3.37Å; F505-L602 HydrophobicContact CZ-CD2 4.21Å; F505-R603 HydrophobicContact CB-CB 4.46Å; F505-R603 HydrophobicContact CB-CG 3.84Å
506	N	94.4	Very high	90.7	Very high	71 Å²	71	67.5 Å²	67.5	38%	0.38	33%	0.333	S	S	.	.			trans	-122.3	124.7	167.1	175.5	-91.2	0	0	0	108.2	E500 K508 L509 S510	E500-N506 WeakPolarHBondContact OE1-CA 3.49Å; E500-N506 PolarHBondContact OE1-ND2 3.12Å; N506-K508 VanDerWaalsContact C-N 3.31Å; N506-K508 PolarHBondContact O-N 3.48Å; N506-K508 WeakPolarHBondContact OD1-CB 3.5Å; N506-K508 PolarHBondContact OD1-N 3.06Å; N506-L509 HydrophobicContact CB-CB 4.09Å; N506-L509 PolarHBondContact O-N 3.03Å; N506-L509 PolarHBondContact OD1-N 3.33Å; N506-S510 WeakPolarHBondContact O-CB 3.4Å; N506-S510 PolarHBondContact O-N 3.26Å; N506-S510 PolarHBondContact O-OG 3.47Å
507	V	95.3	Very high	90.8	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-62.2	-38.4	-171.8	67.4	0	0	0	0	112.1	L455 I471 I493 V494 E500 F505 S510 I511	L455-V507 HydrophobicContact CD1-CB 3.95Å; L455-V507 HydrophobicContact CD1-CG1 4.22Å; L455-V507 HydrophobicContact CD1-CG2 4.41Å; L455-V507 HydrophobicContact CD2-CG2 4.31Å; I471-V507 HydrophobicContact CB-CG2 4.1Å; I471-V507 HydrophobicContact CG1-CG2 4.13Å; I471-V507 HydrophobicContact CG2-CG2 4.45Å; I493-V507 HydrophobicContact CG2-CG1 3.56Å; V494-V507 WeakPolarHBondContact O-CG1 3.34Å; E500-V507 PolarHBondContact OE1-N 2.92Å; F505-V507 HydrophobicContact CE2-CB 4.08Å; V507-S510 PolarHBondContact O-N 3.38Å; V507-I511 HydrophobicContact CG2-CD1 4.01Å; V507-I511 HydrophobicContact CG2-CG1 4.49Å; V507-I511 WeakPolarHBondContact O-CD1 3.26Å; V507-I511 VanDerWaalsContact O-CG1 3.24Å; V507-I511 WeakPolarHBondContact O-CG1 3.48Å; V507-I511 PolarHBondContact O-N 3.09Å
508	K	94.5	Very high	91.2	Very high	97 Å²	97	71.6 Å²	71.6	42%	0.422	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-49.1	178.6	-66.4	-173.5	174.4	-168.7	0	111.5	I493 N506 S510 I511 F512	I493-K508 HydrophobicContact CD1-CD 4.45Å; I493-K508 HydrophobicContact CD1-CG 3.91Å; I493-K508 HydrophobicContact CG2-CG 3.87Å; N506-K508 VanDerWaalsContact C-N 3.31Å; N506-K508 PolarHBondContact O-N 3.48Å; N506-K508 WeakPolarHBondContact OD1-CB 3.5Å; N506-K508 PolarHBondContact OD1-N 3.06Å; K508-S510 VanDerWaalsContact C-N 3.26Å; K508-S510 PolarHBondContact O-N 3.3Å; K508-I511 PolarHBondContact O-N 2.71Å; K508-F512 WeakPolarHBondContact O-CB 3.19Å; K508-F512 PolarHBondContact O-N 3.15Å
509	L	94.7	Very high	91.8	Very high	75 Å²	75	70 Å²	70	39%	0.393	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-39.1	177.5	179.5	59.6	0	0	0	111.4	N506 F512 R513	N506-L509 HydrophobicContact CB-CB 4.09Å; N506-L509 PolarHBondContact O-N 3.03Å; N506-L509 PolarHBondContact OD1-N 3.33Å; L509-F512 PolarHBondContact O-N 3.11Å; L509-R513 HydrophobicContact CD1-CG 4.36Å; L509-R513 VanDerWaalsContact O-CG 3.29Å; L509-R513 WeakPolarHBondContact O-CG 3.48Å; L509-R513 PolarHBondContact O-N 2.96Å
510	S	96.4	Very high	92.4	Very high	1 Å²	1	68.2 Å²	68.2	1%	0.007	31%	0.313	C	S	.	.	H	α-helix	trans	-67.6	-47	-179.9	-51.7	0	0	0	0	110.6	N506 V507 K508 F512 R513 A514 L602 Q604	N506-S510 WeakPolarHBondContact O-CB 3.4Å; N506-S510 PolarHBondContact O-N 3.26Å; N506-S510 PolarHBondContact O-OG 3.47Å; V507-S510 PolarHBondContact O-N 3.38Å; K508-S510 VanDerWaalsContact C-N 3.26Å; K508-S510 PolarHBondContact O-N 3.3Å; S510-F512 VanDerWaalsContact C-N 3.3Å; S510-F512 PolarHBondContact O-N 3.03Å; S510-R513 PolarHBondContact O-N 3.46Å; S510-A514 WeakPolarHBondContact O-CB 3.43Å; S510-A514 PolarHBondContact O-N 2.86Å; S510-L602 VanDerWaalsContact CB-O 3.22Å; S510-L602 WeakPolarHBondContact CB-O 3.37Å; S510-L602 PolarHBondContact OG-O 3.4Å; S510-Q604 VanDerWaalsContact O-CG 3.24Å; S510-Q604 WeakPolarHBondContact O-CG 3.32Å
511	I	95.7	Very high	92.5	Very high	3 Å²	3	71.3 Å²	71.3	2%	0.015	33%	0.327	C	S	.	.	H	α-helix	trans	-56.4	-45.7	172.6	-67.8	162.9	0	0	0	111	I471 V507 K508 R513 A514 R515	I471-I511 HydrophobicContact CB-CD1 4.31Å; I471-I511 HydrophobicContact CG1-CD1 3.86Å; I471-I511 HydrophobicContact CG1-CG1 4.33Å; V507-I511 HydrophobicContact CG2-CD1 4.01Å; V507-I511 HydrophobicContact CG2-CG1 4.49Å; V507-I511 WeakPolarHBondContact O-CD1 3.26Å; V507-I511 VanDerWaalsContact O-CG1 3.24Å; V507-I511 WeakPolarHBondContact O-CG1 3.48Å; V507-I511 PolarHBondContact O-N 3.09Å; K508-I511 PolarHBondContact O-N 2.71Å; I511-R513 PolarHBondContact O-N 3.17Å; I511-A514 PolarHBondContact O-N 3.05Å; I511-R515 WeakPolarHBondContact O-CG 3.3Å; I511-R515 PolarHBondContact O-N 2.91Å; I511-R515 VanDerWaalsContact O-N 3.16Å
512	F	95.6	Very high	93	Very high	119 Å²	119	69.4 Å²	69.4	52%	0.522	32%	0.319	S	S	.	.	H	α-helix	trans	-59.1	-47.9	178.8	177.2	-97.1	0	0	0	111.7	K508 L509 S510 A514 R515 Q516	K508-F512 WeakPolarHBondContact O-CB 3.19Å; K508-F512 PolarHBondContact O-N 3.15Å; L509-F512 PolarHBondContact O-N 3.11Å; S510-F512 VanDerWaalsContact C-N 3.3Å; S510-F512 PolarHBondContact O-N 3.03Å; F512-A514 PolarHBondContact O-N 2.89Å; F512-R515 PolarHBondContact O-N 3.07Å; F512-Q516 HydrophobicContact CE1-CG 4.17Å; F512-Q516 HydrophobicContact CZ-CG 4.3Å; F512-Q516 WeakPolarHBondContact O-CG 3.44Å; F512-Q516 PolarHBondContact O-N 2.86Å
513	R	96.6	Very high	93.8	Very high	80 Å²	80	62.5 Å²	62.5	30%	0.302	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-43.7	178	-73.7	169.1	171.9	-178.6	-12.1	112.7	L509 S510 I511 R515 Q516 K517 R603 Q604 E605	L509-R513 HydrophobicContact CD1-CG 4.36Å; L509-R513 VanDerWaalsContact O-CG 3.29Å; L509-R513 WeakPolarHBondContact O-CG 3.48Å; L509-R513 PolarHBondContact O-N 2.96Å; S510-R513 PolarHBondContact O-N 3.46Å; I511-R513 PolarHBondContact O-N 3.17Å; R513-R515 PolarHBondContact O-N 3.42Å; R513-Q516 PolarHBondContact O-N 2.92Å; R513-K517 PolarHBondContact O-N 3.18Å; R513-K517 VanDerWaalsContact O-N 3.14Å; R513-R603 PolarHBondContact NH1-O 2.84Å; R513-Q604 HydrophobicContact CB-CB 3.55Å; R513-Q604 HydrophobicContact CB-CG 4.21Å; R513-Q604 HydrophobicContact CG-CB 4.41Å; R513-E605 IonicContact CZ-OE1 3.1Å; R513-E605 VanDerWaalsContact NH1-CD 3.29Å; R513-E605 IonicContact NH1-OE1 2.98Å; R513-E605 PolarHBondContact NH1-OE1 2.83Å; R513-E605 IonicContact NH2-OE1 2.73Å; R513-E605 PolarHBondContact NH2-OE1 3.24Å
514	A	96.6	Very high	94.2	Very high	11 Å²	11	62.3 Å²	62.3	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-60.6	-32.5	178.5	0	0	0	0	0	112.7	I465 S510 I511 F512 Q516 Q604	I465-A514 WeakPolarHBondContact O-CB 3.19Å; S510-A514 WeakPolarHBondContact O-CB 3.43Å; S510-A514 PolarHBondContact O-N 2.86Å; I511-A514 PolarHBondContact O-N 3.05Å; F512-A514 PolarHBondContact O-N 2.89Å; A514-Q516 VanDerWaalsContact C-N 3.34Å; A514-Q604 HydrophobicContact CB-CG 4.05Å
515	R	95.4	Very high	94.6	Very high	106 Å²	106	60.2 Å²	60.2	40%	0.4	27%	0.267	S	S	.	.	H	α-helix	trans	-72.4	-25.2	175.7	-69.4	174	-177.7	-176	0.3	113.3	G468 Y470 I511 F512 R513	G468-R515 PolarHBondContact O-NE 3.4Å; G468-R515 PolarHBondContact O-NH2 3.28Å; Y470-R515 VanDerWaalsContact CE1-NH2 3.29Å; I511-R515 WeakPolarHBondContact O-CG 3.3Å; I511-R515 PolarHBondContact O-N 2.91Å; I511-R515 VanDerWaalsContact O-N 3.16Å; F512-R515 PolarHBondContact O-N 3.07Å; R513-R515 PolarHBondContact O-N 3.42Å
516	Q	94.6	Very high	94.7	Very high	134 Å²	134	61.5 Å²	61.5	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-83.1	-41.5	179.3	-62.2	-60.5	-25.4	0	0	112.1	F512 R513 A514	F512-Q516 HydrophobicContact CE1-CG 4.17Å; F512-Q516 HydrophobicContact CZ-CG 4.3Å; F512-Q516 WeakPolarHBondContact O-CG 3.44Å; F512-Q516 PolarHBondContact O-N 2.86Å; R513-Q516 PolarHBondContact O-N 2.92Å; A514-Q516 VanDerWaalsContact C-N 3.34Å
517	K	93.2	Very high	94.7	Very high	130 Å²	130	58.8 Å²	58.8	57%	0.565	26%	0.257	S	S	*	.			trans	-151.9	141.3	-176	-175.7	179.3	177	-179.9	0	111.5	R513 M519 E521	R513-K517 PolarHBondContact O-N 3.18Å; R513-K517 VanDerWaalsContact O-N 3.14Å; K517-M519 PolarHBondContact O-N 3.29Å; K517-E521 VanDerWaalsContact CE-OE2 3.24Å; K517-E521 WeakPolarHBondContact CE-OE2 3.44Å
518	R	93.4	Very high	94.6	Very high	148 Å²	148	58.7 Å²	58.7	56%	0.558	26%	0.257	S	S	*	.			trans	-69.7	121.5	169	-65.1	-166.5	-178.8	-148.4	2.9	110.3	F520 E521	R518-F520 VanDerWaalsContact C-N 3.33Å; R518-F520 PolarHBondContact O-N 2.96Å; R518-E521 HydrophobicContact CB-CB 4.39Å; R518-E521 WeakPolarHBondContact O-CB 3.47Å; R518-E521 PolarHBondContact O-N 3.5Å
519	M	92.9	Very high	94.3	Very high	16 Å²	16	57.2 Å²	57.2	8%	0.079	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-46.4	-175.1	165.1	-178.6	-86.7	0	0	114	K517 G600 I601 Q604 L606	K517-M519 PolarHBondContact O-N 3.29Å; M519-G600 WeakPolarHBondContact CE-O 3.32Å; M519-I601 HydrophobicContact SD-CB 4.39Å; M519-I601 HydrophobicContact SD-CG1 3.7Å; M519-Q604 HydrophobicContact CE-CB 4.48Å; M519-L606 HydrophobicContact CG-CD2 3.8Å; M519-L606 HydrophobicContact CG-CG 4.36Å; M519-L606 HydrophobicContact SD-CD2 4.4Å
520	F	96.1	Very high	94	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	20.4	-173.2	-62.4	-39.5	0	0	0	113.3	R518 K522 I523 F525 V542 A545 G547 F596 I597 I601 L606	R518-F520 VanDerWaalsContact C-N 3.33Å; R518-F520 PolarHBondContact O-N 2.96Å; F520-K522 PolarHBondContact O-N 2.9Å; F520-I523 HydrophobicContact CB-CB 4.38Å; F520-I523 HydrophobicContact CD1-CD1 4.29Å; F520-I523 WeakPolarHBondContact O-CB 3.44Å; F520-I523 PolarHBondContact O-N 3.05Å; F520-F525 HydrophobicContact CB-CE2 4.09Å; F520-F525 AromaticContact CD1-CE2 3.89Å; F520-F525 HydrophobicContact CD1-CE2 3.89Å; F520-F525 AromaticContact CD1-CZ 3.66Å; F520-F525 HydrophobicContact CD1-CZ 3.66Å; F520-F525 HydrophobicContact CD2-CE2 4.11Å; F520-F525 HydrophobicContact CD2-CZ 4.37Å; F520-F525 HydrophobicContact CE1-CE2 4.4Å; F520-F525 AromaticContact CE1-CZ 3.81Å; F520-F525 HydrophobicContact CE1-CZ 3.81Å; F520-F525 HydrophobicContact CE2-CZ 4.49Å; F520-F525 AromaticContact CG-CE2 3.77Å; F520-F525 HydrophobicContact CG-CE2 3.77Å; F520-F525 HydrophobicContact CG-CZ 4.02Å; F520-F525 HydrophobicContact CZ-CZ 4.25Å; F520-V542 HydrophobicContact CD2-CB 4.44Å; F520-V542 HydrophobicContact CD2-CG1 4.25Å; F520-V542 HydrophobicContact CD2-CG2 4.41Å; F520-V542 HydrophobicContact CE2-CG2 4.22Å; F520-A545 HydrophobicContact CD2-CB 3.42Å; F520-A545 VanDerWaalsContact CD2-CB 3.42Å; F520-A545 HydrophobicContact CE2-CB 3.72Å; F520-A545 HydrophobicContact CG-CB 4.29Å; F520-A545 PolarHBondContact N-O 3.37Å; F520-G547 VanDerWaalsContact CB-CA 3.49Å; F520-G547 WeakPolarHBondContact O-CA 3.29Å; F520-F596 HydrophobicContact CE1-CE1 4.42Å; F520-I597 HydrophobicContact CE2-CG2 4.05Å; F520-I597 HydrophobicContact CZ-CB 4.31Å; F520-I597 HydrophobicContact CZ-CG1 4.25Å; F520-I597 HydrophobicContact CZ-CG2 4.08Å; F520-I601 HydrophobicContact CE2-CD1 3.96Å; F520-I601 HydrophobicContact CE2-CG1 4.02Å; F520-I601 HydrophobicContact CZ-CD1 4.36Å; F520-I601 HydrophobicContact CZ-CG1 4.04Å; F520-L606 HydrophobicContact CD1-CD2 3.68Å; F520-L606 HydrophobicContact CE1-CD2 3.59Å
521	E	92.1	Very high	93.8	Very high	92 Å²	92	54.3 Å²	54.3	43%	0.43	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	128.9	174.3	-163.1	-163.1	155.5	0	0	110.7	K517 R518 I523	K517-E521 VanDerWaalsContact CE-OE2 3.24Å; K517-E521 WeakPolarHBondContact CE-OE2 3.44Å; R518-E521 HydrophobicContact CB-CB 4.39Å; R518-E521 WeakPolarHBondContact O-CB 3.47Å; R518-E521 PolarHBondContact O-N 3.5Å; E521-I523 PolarHBondContact O-N 3.18Å
522	K	90.7	Very high	93.3	Very high	134 Å²	134	57.4 Å²	57.4	58%	0.583	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	25.9	-175.5	-55.5	178.5	-177.1	-179.7	0	114.6	F520 V567 R568	F520-K522 PolarHBondContact O-N 2.9Å; K522-V567 WeakPolarHBondContact O-CA 3.45Å; K522-R568 PolarHBondContact O-N 3.05Å
523	I	95.3	Very high	93.1	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.046	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.5	172.8	-51.6	-173.1	0	0	0	110.7	F520 E521 F525 S548 R568 V570 L606	F520-I523 HydrophobicContact CB-CB 4.38Å; F520-I523 HydrophobicContact CD1-CD1 4.29Å; F520-I523 WeakPolarHBondContact O-CB 3.44Å; F520-I523 PolarHBondContact O-N 3.05Å; E521-I523 PolarHBondContact O-N 3.18Å; I523-F525 HydrophobicContact CB-CE2 3.92Å; I523-F525 HydrophobicContact CB-CZ 4.43Å; I523-F525 HydrophobicContact CG2-CD2 3.96Å; I523-F525 HydrophobicContact CG2-CE1 4.29Å; I523-F525 HydrophobicContact CG2-CE2 3.39Å; I523-F525 HydrophobicContact CG2-CZ 3.6Å; I523-S548 PolarHBondContact O-N 3.32Å; I523-S548 VanDerWaalsContact O-N 3.1Å; I523-R568 WeakPolarHBondContact CA-O 3.45Å; I523-V570 HydrophobicContact CG2-CB 4.44Å; I523-V570 HydrophobicContact CG2-CG2 3.82Å; I523-L606 HydrophobicContact CD1-CD1 3.45Å; I523-L606 VanDerWaalsContact CD1-CD1 3.45Å; I523-L606 HydrophobicContact CD1-CD2 3.96Å; I523-L606 HydrophobicContact CD1-CG 4.37Å
524	L	94.6	Very high	92.7	Very high	19 Å²	19	53.6 Å²	53.6	10%	0.099	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.7	178.1	-170.4	63.8	0	0	0	109.9	S548 L550 L562 V567 R568 F569 V570	L524-S548 VanDerWaalsContact CD1-CB 3.5Å; L524-L550 HydrophobicContact CD1-CD2 4.02Å; L524-L550 HydrophobicContact CD1-CG 3.79Å; L524-L550 HydrophobicContact CD2-CD1 3.59Å; L524-L550 HydrophobicContact CD2-CD2 4.12Å; L524-L550 HydrophobicContact CD2-CG 3.75Å; L524-L550 HydrophobicContact CG-CD1 4.06Å; L524-L550 HydrophobicContact CG-CD2 4.41Å; L524-L550 HydrophobicContact CG-CG 3.8Å; L524-L562 HydrophobicContact CD2-CD1 3.57Å; L524-L562 HydrophobicContact CD2-CD2 4.29Å; L524-V567 HydrophobicContact CB-CG1 3.88Å; L524-R568 PolarHBondContact N-O 3.28Å; L524-F569 HydrophobicContact CB-CD2 4.28Å; L524-F569 HydrophobicContact CD2-CD2 4.23Å; L524-F569 HydrophobicContact CG-CD2 4.19Å; L524-F569 CarbonylContact O-C 3.21Å; L524-F569 WeakPolarHBondContact O-CA 3.47Å; L524-F569 WeakPolarHBondContact O-CD2 3.43Å; L524-V570 PolarHBondContact O-N 2.91Å
525	F	96.4	Very high	92.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	148.1	-177.4	-69.1	-91.4	0	0	0	112.2	F520 I523 L527 V542 S548 V549 L550 V570 I572 F596 I597	F520-F525 HydrophobicContact CB-CE2 4.09Å; F520-F525 AromaticContact CD1-CE2 3.89Å; F520-F525 HydrophobicContact CD1-CE2 3.89Å; F520-F525 AromaticContact CD1-CZ 3.66Å; F520-F525 HydrophobicContact CD1-CZ 3.66Å; F520-F525 HydrophobicContact CD2-CE2 4.11Å; F520-F525 HydrophobicContact CD2-CZ 4.37Å; F520-F525 HydrophobicContact CE1-CE2 4.4Å; F520-F525 AromaticContact CE1-CZ 3.81Å; F520-F525 HydrophobicContact CE1-CZ 3.81Å; F520-F525 HydrophobicContact CE2-CZ 4.49Å; F520-F525 AromaticContact CG-CE2 3.77Å; F520-F525 HydrophobicContact CG-CE2 3.77Å; F520-F525 HydrophobicContact CG-CZ 4.02Å; F520-F525 HydrophobicContact CZ-CZ 4.25Å; I523-F525 HydrophobicContact CB-CE2 3.92Å; I523-F525 HydrophobicContact CB-CZ 4.43Å; I523-F525 HydrophobicContact CG2-CD2 3.96Å; I523-F525 HydrophobicContact CG2-CE1 4.29Å; I523-F525 HydrophobicContact CG2-CE2 3.39Å; I523-F525 HydrophobicContact CG2-CZ 3.6Å; F525-L527 HydrophobicContact CB-CD2 4.26Å; F525-V542 HydrophobicContact CD2-CG1 3.47Å; F525-V542 VanDerWaalsContact CD2-CG1 3.47Å; F525-V542 HydrophobicContact CD2-CG2 4.28Å; F525-V542 HydrophobicContact CE2-CG1 3.83Å; F525-V542 HydrophobicContact CE2-CG2 4.42Å; F525-V542 HydrophobicContact CG-CG1 4.26Å; F525-V542 HydrophobicContact CG-CG2 4.49Å; F525-S548 PolarHBondContact N-O 3.31Å; F525-V549 HydrophobicContact CB-CG2 4.24Å; F525-V549 CarbonylContact O-C 3.57Å; F525-V549 WeakPolarHBondContact O-CA 3.2Å; F525-L550 PolarHBondContact O-N 3Å; F525-V570 CarbonylContact C-O 3.57Å; F525-V570 VanDerWaalsContact CA-O 3.24Å; F525-V570 WeakPolarHBondContact CA-O 3.4Å; F525-V570 HydrophobicContact CD1-CB 3.88Å; F525-V570 HydrophobicContact CD1-CG1 4.06Å; F525-V570 HydrophobicContact CE1-CB 3.91Å; F525-V570 HydrophobicContact CE1-CG1 3.9Å; F525-I572 HydrophobicContact CD1-CD1 4.14Å; F525-I572 HydrophobicContact CD1-CG1 3.79Å; F525-I572 HydrophobicContact CE1-CD1 4.14Å; F525-I572 HydrophobicContact CE1-CG1 4.26Å; F525-F596 AromaticContact CE1-CD1 3.89Å; F525-F596 HydrophobicContact CE1-CD1 3.89Å; F525-F596 AromaticContact CE1-CE1 3.71Å; F525-F596 HydrophobicContact CE1-CE1 3.71Å; F525-F596 HydrophobicContact CZ-CD1 4.37Å; F525-F596 AromaticContact CZ-CE1 3.89Å; F525-F596 HydrophobicContact CZ-CE1 3.89Å; F525-I597 HydrophobicContact CD1-CD1 4.27Å; F525-I597 HydrophobicContact CE1-CD1 4.23Å; F525-I597 HydrophobicContact CE1-CG1 3.99Å; F525-I597 HydrophobicContact CZ-CG1 4.4Å
526	Y	94.5	Very high	92.3	Very high	45 Å²	45	52.8 Å²	52.8	18%	0.176	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.8	161.2	175.9	-107.7	0	0	0	109.1	T528 R553 F569 V570 I571 I572	Y526-T528 HydrophobicContact CE1-CG2 4.25Å; Y526-R553 HydrophobicContact CE2-CB 4.46Å; Y526-F569 HydrophobicContact CG-CZ 4.48Å; Y526-V570 PolarHBondContact N-O 3.47Å; Y526-I571 HydrophobicContact CD1-CG1 4.41Å; Y526-I571 HydrophobicContact CD1-CG2 4.14Å; Y526-I571 CarbonylContact O-C 3.36Å; Y526-I571 WeakPolarHBondContact O-CA 3.38Å; Y526-I572 PolarHBondContact O-N 3.32Å
527	L	95	Very high	92.2	Very high	14 Å²	14	49.1 Å²	49.1	7%	0.073	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.3	-174.9	-49.2	180	0	0	0	109.3	F525 V531 P535 L538 V549 I572 I597	F525-L527 HydrophobicContact CB-CD2 4.26Å; L527-V531 HydrophobicContact CB-CG2 4.46Å; L527-P535 HydrophobicContact CB-CB 4.14Å; L527-P535 HydrophobicContact CD1-CB 4.22Å; L527-P535 WeakPolarHBondContact CD1-O 3.38Å; L527-L538 HydrophobicContact CD1-CB 3.72Å; L527-V549 HydrophobicContact CD1-CG1 3.99Å; L527-V549 HydrophobicContact CD1-CG2 4.48Å; L527-V549 HydrophobicContact CG-CG1 3.89Å; L527-I572 HydrophobicContact CD2-CB 3.59Å; L527-I572 HydrophobicContact CD2-CG1 3.7Å; L527-I572 HydrophobicContact CD2-CG2 4.34Å; L527-I597 HydrophobicContact CD2-CD1 4.25Å
528	T	92.3	Very high	92.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.			trans	-75.6	152.1	177.1	72.6	0	0	0	0	111.3	Y526 S530 V531 I571 I572 T573 D577	Y526-T528 HydrophobicContact CE1-CG2 4.25Å; T528-S530 VanDerWaalsContact C-N 3.33Å; T528-S530 PolarHBondContact O-N 2.88Å; T528-S530 VanDerWaalsContact O-N 3.15Å; T528-V531 VanDerWaalsContact O-CG2 3.28Å; T528-V531 WeakPolarHBondContact O-CG2 3.48Å; T528-V531 PolarHBondContact O-N 2.76Å; T528-V531 WeakPolarHBondContact OG1-CG1 3.45Å; T528-I571 HydrophobicContact CG2-CG2 4.26Å; T528-I572 PolarHBondContact N-O 2.8Å; T528-T573 WeakPolarHBondContact CG2-OG1 3.38Å; T528-T573 WeakPolarHBondContact OG1-CA 3.16Å; T528-T573 PolarHBondContact OG1-OG1 3.05Å; T528-D577 VanDerWaalsContact C-OD2 3.28Å; T528-D577 WeakPolarHBondContact CB-OD2 3.34Å; T528-D577 HydrophobicContact CG2-CB 4.29Å; T528-D577 WeakPolarHBondContact OG1-CB 3.48Å; T528-D577 PolarHBondContact OG1-OD2 3.01Å
529	P	89.1	Confident	92.5	Very high	65 Å²	65	37 Å²	37	42%	0.422	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.4	-164.7	-25.6	35.1	0	0	0	116.8	Y266 D577	Y266-P529 HydrophobicContact CD1-CB 3.62Å; Y266-P529 HydrophobicContact CD1-CG 4.05Å; Y266-P529 HydrophobicContact CE1-CB 3.8Å; Y266-P529 HydrophobicContact CE1-CG 4.02Å; P529-D577 WeakPolarHBondContact CD-OD2 3.32Å; P529-D577 VanDerWaalsContact N-OD2 3.11Å
530	S	87.5	Confident	92.6	Very high	14 Å²	14	39.8 Å²	39.8	10%	0.098	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	0.5	-174.7	-51.4	0	0	0	0	114.1	Y266 T528 C574 D577	Y266-S530 WeakPolarHBondContact CE1-OG 3.28Å; T528-S530 VanDerWaalsContact C-N 3.33Å; T528-S530 PolarHBondContact O-N 2.88Å; T528-S530 VanDerWaalsContact O-N 3.15Å; S530-C574 VanDerWaalsContact C-SG 3.59Å; S530-C574 PolarHBondContact O-SG 3.18Å; S530-D577 WeakPolarHBondContact CA-OD2 3.49Å; S530-D577 VanDerWaalsContact CB-CG 3.45Å; S530-D577 WeakPolarHBondContact CB-OD1 3.49Å; S530-D577 VanDerWaalsContact CB-OD2 3.24Å; S530-D577 WeakPolarHBondContact CB-OD2 3.27Å; S530-D577 PolarHBondContact N-OD2 3.47Å; S530-D577 PolarHBondContact OG-OD1 3.23Å; S530-D577 PolarHBondContact OG-OD2 3.44Å
531	V	91.9	Very high	92.6	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	21%	0.211	C	C	.	.			trans	-58.8	152.1	177.2	-61.3	0	0	0	0	111.4	L527 T528 P533 P535 L538 I572 C574	L527-V531 HydrophobicContact CB-CG2 4.46Å; T528-V531 VanDerWaalsContact O-CG2 3.28Å; T528-V531 WeakPolarHBondContact O-CG2 3.48Å; T528-V531 PolarHBondContact O-N 2.76Å; T528-V531 WeakPolarHBondContact OG1-CG1 3.45Å; V531-P533 CarbonylContact C-O 3.6Å; V531-P533 CarbonylContact O-C 3.5Å; V531-P535 HydrophobicContact CG2-CG 3.87Å; V531-L538 HydrophobicContact CB-CD1 4.41Å; V531-L538 HydrophobicContact CG2-CD1 3.79Å; V531-I572 HydrophobicContact CG1-CG2 4.32Å; V531-I572 WeakPolarHBondContact CG1-O 3.49Å; V531-C574 HydrophobicContact CG1-CB 4.36Å
532	Q	85.8	Confident	92.8	Very high	69 Å²	69	35.5 Å²	35.5	32%	0.322	19%	0.19	S	C	.	.	S	Bend	trans	-127.8	132.6	176.1	-65	-60.9	-45.7	0	0	109.3	A594 W669 I671	Q532-A594 WeakPolarHBondContact O-CB 3.31Å; Q532-W669 HydrophobicContact CB-CH2 4.5Å; Q532-I671 HydrophobicContact CB-CD1 3.25Å; Q532-I671 HydrophobicContact CG-CD1 4.04Å
533	P	90.6	Very high	93.1	Very high	34 Å²	34	34.5 Å²	34.5	22%	0.221	19%	0.187	C	C	.	.	S	Bend	cis	-55.1	162.4	-6.7	-22.2	32.7	0	0	0	113.4	V531 I537 L538 L598	V531-P533 CarbonylContact C-O 3.6Å; V531-P533 CarbonylContact O-C 3.5Å; P533-I537 HydrophobicContact CB-CB 4.24Å; P533-I537 HydrophobicContact CB-CG2 4.11Å; P533-L538 HydrophobicContact CB-CG 4.34Å; P533-L538 HydrophobicContact CG-CD2 4.45Å; P533-L538 VanDerWaalsContact O-CD1 3.28Å; P533-L538 WeakPolarHBondContact O-CD1 3.44Å; P533-L598 HydrophobicContact CG-CD1 4.45Å; P533-L598 HydrophobicContact CG-CD2 4.49Å
534	L	88	Confident	93.1	Very high	84 Å²	84	34.8 Å²	34.8	44%	0.44	19%	0.189	S	C	.	.			trans	-54.3	150.1	-176.2	-70.7	171	0	0	0	111.9	S536 I537 L538	L534-S536 PolarHBondContact O-N 3.31Å; L534-S536 VanDerWaalsContact O-N 3.09Å; L534-I537 HydrophobicContact CB-CD1 4.45Å; L534-I537 PolarHBondContact O-N 2.96Å; L534-L538 PolarHBondContact O-N 3.16Å
535	P	92	Very high	93.2	Very high	32 Å²	32	34 Å²	34	21%	0.208	19%	0.185	C	C	.	.	H	α-helix	trans	-51.3	-35.4	178.7	-29.1	33.1	0	0	0	114.9	L527 V531 S539	L527-P535 HydrophobicContact CB-CB 4.14Å; L527-P535 HydrophobicContact CD1-CB 4.22Å; L527-P535 WeakPolarHBondContact CD1-O 3.38Å; V531-P535 HydrophobicContact CG2-CG 3.87Å; P535-S539 VanDerWaalsContact O-CB 3.29Å; P535-S539 WeakPolarHBondContact O-CB 3.44Å; P535-S539 PolarHBondContact O-N 3.39Å; P535-S539 PolarHBondContact O-OG 3.43Å
536	S	92.2	Very high	93.2	Very high	68 Å²	68	35.1 Å²	35.1	48%	0.476	20%	0.197	S	C	.	.	H	α-helix	trans	-61.2	-51	176.1	47.6	0	0	0	0	111.7	L534 S539 E540	L534-S536 PolarHBondContact O-N 3.31Å; L534-S536 VanDerWaalsContact O-N 3.09Å; S536-S539 WeakPolarHBondContact O-CB 3.32Å; S536-S539 PolarHBondContact O-N 3.02Å; S536-E540 PolarHBondContact O-N 2.97Å; S536-E540 VanDerWaalsContact O-N 3.17Å
537	I	93.4	Very high	93.3	Very high	57 Å²	57	33.2 Å²	33.2	29%	0.292	19%	0.191	S	C	.	.	H	α-helix	trans	-63.6	-46.1	179.5	-59.5	173.4	0	0	0	110.7	P533 L534 S539 E540 I541	P533-I537 HydrophobicContact CB-CB 4.24Å; P533-I537 HydrophobicContact CB-CG2 4.11Å; L534-I537 HydrophobicContact CB-CD1 4.45Å; L534-I537 PolarHBondContact O-N 2.96Å; I537-S539 VanDerWaalsContact C-N 3.26Å; I537-S539 PolarHBondContact O-N 3.2Å; I537-E540 PolarHBondContact O-N 3.06Å; I537-I541 HydrophobicContact CG2-CD1 4.02Å; I537-I541 WeakPolarHBondContact O-CG1 3.36Å; I537-I541 PolarHBondContact O-N 3.5Å; I537-I541 VanDerWaalsContact O-N 3.13Å
538	L	95.5	Very high	93.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-35	177.1	-78.8	178.3	0	0	0	112	L527 V531 P533 L534 I541 V542 A594 I597 L598	L527-L538 HydrophobicContact CD1-CB 3.72Å; V531-L538 HydrophobicContact CB-CD1 4.41Å; V531-L538 HydrophobicContact CG2-CD1 3.79Å; P533-L538 HydrophobicContact CB-CG 4.34Å; P533-L538 HydrophobicContact CG-CD2 4.45Å; P533-L538 VanDerWaalsContact O-CD1 3.28Å; P533-L538 WeakPolarHBondContact O-CD1 3.44Å; L534-L538 PolarHBondContact O-N 3.16Å; L538-I541 PolarHBondContact O-N 3.12Å; L538-V542 WeakPolarHBondContact O-CB 3.5Å; L538-V542 VanDerWaalsContact O-CG2 3.25Å; L538-V542 WeakPolarHBondContact O-CG2 3.44Å; L538-V542 PolarHBondContact O-N 3.13Å; L538-A594 HydrophobicContact CD1-CB 4.29Å; L538-I597 HydrophobicContact CD2-CD1 4.35Å; L538-I597 HydrophobicContact CD2-CG2 4.31Å; L538-L598 HydrophobicContact CD2-CD2 3.91Å; L538-L598 HydrophobicContact CD2-CG 4.5Å
539	S	96.4	Very high	93.4	Very high	24 Å²	24	37.4 Å²	37.4	17%	0.168	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-44.1	177.2	-60.5	0	0	0	0	111.9	P535 S536 I537 I541 V542 Q543	P535-S539 VanDerWaalsContact O-CB 3.29Å; P535-S539 WeakPolarHBondContact O-CB 3.44Å; P535-S539 PolarHBondContact O-N 3.39Å; P535-S539 PolarHBondContact O-OG 3.43Å; S536-S539 WeakPolarHBondContact O-CB 3.32Å; S536-S539 PolarHBondContact O-N 3.02Å; I537-S539 VanDerWaalsContact C-N 3.26Å; I537-S539 PolarHBondContact O-N 3.2Å; S539-I541 VanDerWaalsContact C-N 3.34Å; S539-I541 PolarHBondContact O-N 3.43Å; S539-V542 PolarHBondContact O-N 3.12Å; S539-Q543 WeakPolarHBondContact O-CB 3.33Å; S539-Q543 WeakPolarHBondContact O-CG 3.42Å; S539-Q543 PolarHBondContact O-N 3.5Å
540	E	94.7	Very high	93.5	Very high	74 Å²	74	36.8 Å²	36.8	35%	0.346	21%	0.213	S	C	.	.	H	α-helix	trans	-62.8	-41.3	177.2	-67.5	170.1	-132.4	0	0	111.5	R459 S536 I537 T544	R459-E540 IonicContact CZ-OE2 3.75Å; R459-E540 IonicContact NH1-OE2 3.15Å; R459-E540 PolarHBondContact NH1-OE2 3.26Å; R459-E540 IonicContact NH2-OE2 2.71Å; R459-E540 PolarHBondContact NH2-OE2 2.88Å; S536-E540 PolarHBondContact O-N 2.97Å; S536-E540 VanDerWaalsContact O-N 3.17Å; I537-E540 PolarHBondContact O-N 3.06Å; E540-T544 WeakPolarHBondContact O-CB 3.18Å; E540-T544 PolarHBondContact O-N 2.95Å; E540-T544 PolarHBondContact O-OG1 2.85Å
541	I	96.1	Very high	93.4	Very high	3 Å²	3	46 Å²	46	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-47	175.5	-67.8	169	0	0	0	111.2	R459 L462 I537 L538 S539 Q543 T544 A545 I597 L598 I601	R459-I541 HydrophobicContact CG-CD1 4.36Å; R459-I541 HydrophobicContact CG-CG1 4.3Å; L462-I541 HydrophobicContact CD1-CD1 4.09Å; I537-I541 HydrophobicContact CG2-CD1 4.02Å; I537-I541 WeakPolarHBondContact O-CG1 3.36Å; I537-I541 PolarHBondContact O-N 3.5Å; I537-I541 VanDerWaalsContact O-N 3.13Å; L538-I541 PolarHBondContact O-N 3.12Å; S539-I541 VanDerWaalsContact C-N 3.34Å; S539-I541 PolarHBondContact O-N 3.43Å; I541-Q543 VanDerWaalsContact C-N 3.35Å; I541-Q543 PolarHBondContact O-N 2.65Å; I541-T544 WeakPolarHBondContact O-CB 3.16Å; I541-T544 PolarHBondContact O-N 2.62Å; I541-A545 PolarHBondContact O-N 3.12Å; I541-A545 VanDerWaalsContact O-N 3.09Å; I541-I597 HydrophobicContact CG2-CG2 4.05Å; I541-L598 HydrophobicContact CD1-CD2 4.47Å; I541-I601 HydrophobicContact CG2-CD1 3.19Å
542	V	97.4	Very high	92.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-44.3	179.2	165.4	0	0	0	0	111.1	F520 F525 L538 S539 A545 G546 G547 V549 I597	F520-V542 HydrophobicContact CD2-CB 4.44Å; F520-V542 HydrophobicContact CD2-CG1 4.25Å; F520-V542 HydrophobicContact CD2-CG2 4.41Å; F520-V542 HydrophobicContact CE2-CG2 4.22Å; F525-V542 HydrophobicContact CD2-CG1 3.47Å; F525-V542 VanDerWaalsContact CD2-CG1 3.47Å; F525-V542 HydrophobicContact CD2-CG2 4.28Å; F525-V542 HydrophobicContact CE2-CG1 3.83Å; F525-V542 HydrophobicContact CE2-CG2 4.42Å; F525-V542 HydrophobicContact CG-CG1 4.26Å; F525-V542 HydrophobicContact CG-CG2 4.49Å; L538-V542 WeakPolarHBondContact O-CB 3.5Å; L538-V542 VanDerWaalsContact O-CG2 3.25Å; L538-V542 WeakPolarHBondContact O-CG2 3.44Å; L538-V542 PolarHBondContact O-N 3.13Å; S539-V542 PolarHBondContact O-N 3.12Å; V542-A545 CarbonylContact O-C 3.56Å; V542-A545 PolarHBondContact O-N 3.3Å; V542-G546 PolarHBondContact O-N 2.9Å; V542-G547 PolarHBondContact O-N 3.49Å; V542-V549 HydrophobicContact CB-CG2 4.03Å; V542-V549 HydrophobicContact CG1-CG2 3.77Å; V542-I597 HydrophobicContact CG2-CD1 3.51Å; V542-I597 HydrophobicContact CG2-CG1 4.09Å; V542-I597 HydrophobicContact CG2-CG2 4.12Å
543	Q	96.3	Very high	92.5	Very high	112 Å²	112	57.6 Å²	57.6	52%	0.523	30%	0.299	S	S	.	.	H	α-helix	trans	-63.8	-41.7	178.1	-73.2	169.2	-3.2	0	0	111.8	S539 I541 A545 G546 G547	S539-Q543 WeakPolarHBondContact O-CB 3.33Å; S539-Q543 WeakPolarHBondContact O-CG 3.42Å; S539-Q543 PolarHBondContact O-N 3.5Å; I541-Q543 VanDerWaalsContact C-N 3.35Å; I541-Q543 PolarHBondContact O-N 2.65Å; Q543-A545 VanDerWaalsContact C-N 3.25Å; Q543-A545 PolarHBondContact O-N 2.99Å; Q543-G546 PolarHBondContact O-N 3.06Å; Q543-G547 WeakPolarHBondContact CA-O 3.44Å
544	T	95.8	Very high	91.7	Very high	15 Å²	15	56.8 Å²	56.8	9%	0.092	29%	0.294	C	S	.	.	H	α-helix	trans	-58.3	-39.5	175.1	-59.5	0	0	0	0	111.6	L445 E463 A466 L467 E540 I541 G546	L445-T544 HydrophobicContact CD2-CG2 4.04Å; E463-T544 HydrophobicContact CB-CG2 4.02Å; E463-T544 HydrophobicContact CG-CG2 4.12Å; A466-T544 HydrophobicContact CB-CG2 4.29Å; L467-T544 HydrophobicContact CD1-CG2 3.88Å; L467-T544 HydrophobicContact CD2-CG2 3.9Å; L467-T544 HydrophobicContact CG-CG2 3.6Å; E540-T544 WeakPolarHBondContact O-CB 3.18Å; E540-T544 PolarHBondContact O-N 2.95Å; E540-T544 PolarHBondContact O-OG1 2.85Å; I541-T544 WeakPolarHBondContact O-CB 3.16Å; I541-T544 PolarHBondContact O-N 2.62Å; T544-G546 VanDerWaalsContact C-N 3.26Å; T544-G546 PolarHBondContact O-N 3.05Å
545	A	96.5	Very high	91.3	Very high	2 Å²	2	56.3 Å²	56.3	2%	0.017	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	7.9	176.2	0	0	0	0	0	114.7	A466 F520 I541 V542 Q543 I601	A466-A545 HydrophobicContact CB-CB 3.89Å; F520-A545 HydrophobicContact CD2-CB 3.42Å; F520-A545 VanDerWaalsContact CD2-CB 3.42Å; F520-A545 HydrophobicContact CE2-CB 3.72Å; F520-A545 HydrophobicContact CG-CB 4.29Å; F520-A545 PolarHBondContact N-O 3.37Å; I541-A545 PolarHBondContact O-N 3.12Å; I541-A545 VanDerWaalsContact O-N 3.09Å; V542-A545 CarbonylContact O-C 3.56Å; V542-A545 PolarHBondContact O-N 3.3Å; Q543-A545 VanDerWaalsContact C-N 3.25Å; Q543-A545 PolarHBondContact O-N 2.99Å; A545-I601 HydrophobicContact CB-CD1 4.18Å; A545-I601 HydrophobicContact CB-CG1 4.3Å
546	G	95.4	Very high	90.5	Very high	24 Å²	24	59.5 Å²	59.5	25%	0.247	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	7.7	173.9	0	0	0	0	0	116.3	V542 Q543 T544	V542-G546 PolarHBondContact O-N 2.9Å; Q543-G546 PolarHBondContact O-N 3.06Å; T544-G546 VanDerWaalsContact C-N 3.26Å; T544-G546 PolarHBondContact O-N 3.05Å
547	G	96.4	Very high	89.8	Confident	5 Å²	5	64.8 Å²	64.8	5%	0.052	34%	0.335	C	S	.	.			trans	-90.7	170	177.9	0	0	0	0	0	113	F520 V542 Q543	F520-G547 VanDerWaalsContact CB-CA 3.49Å; F520-G547 WeakPolarHBondContact O-CA 3.29Å; V542-G547 PolarHBondContact O-N 3.49Å; Q543-G547 WeakPolarHBondContact CA-O 3.44Å
548	S	95.1	Very high	89.2	Confident	70 Å²	70	66.2 Å²	66.2	49%	0.49	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.9	175.1	-70.8	0	0	0	0	111.1	I523 L524 F525	I523-S548 PolarHBondContact O-N 3.32Å; I523-S548 VanDerWaalsContact O-N 3.1Å; L524-S548 VanDerWaalsContact CD1-CB 3.5Å; F525-S548 PolarHBondContact N-O 3.31Å
549	V	95.4	Very high	88.5	Confident	32 Å²	32	67.9 Å²	67.9	19%	0.194	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.5	177.4	-174.9	0	0	0	0	110.5	F525 L527 V542	F525-V549 HydrophobicContact CB-CG2 4.24Å; F525-V549 CarbonylContact O-C 3.57Å; F525-V549 WeakPolarHBondContact O-CA 3.2Å; L527-V549 HydrophobicContact CD1-CG1 3.99Å; L527-V549 HydrophobicContact CD1-CG2 4.48Å; L527-V549 HydrophobicContact CG-CG1 3.89Å; V542-V549 HydrophobicContact CB-CG2 4.03Å; V542-V549 HydrophobicContact CG1-CG2 3.77Å
550	L	91.4	Very high	87.7	Confident	53 Å²	53	71 Å²	71	28%	0.277	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.8	171.7	-68.7	-177.6	0	0	0	111.1	L524 F525 Q552 P554 F569	L524-L550 HydrophobicContact CD1-CD2 4.02Å; L524-L550 HydrophobicContact CD1-CG 3.79Å; L524-L550 HydrophobicContact CD2-CD1 3.59Å; L524-L550 HydrophobicContact CD2-CD2 4.12Å; L524-L550 HydrophobicContact CD2-CG 3.75Å; L524-L550 HydrophobicContact CG-CD1 4.06Å; L524-L550 HydrophobicContact CG-CD2 4.41Å; L524-L550 HydrophobicContact CG-CG 3.8Å; F525-L550 PolarHBondContact O-N 3Å; L550-Q552 WeakPolarHBondContact CB-O 3.31Å; L550-P554 HydrophobicContact CD1-CB 4Å; L550-P554 HydrophobicContact CD1-CG 3.66Å; L550-F569 HydrophobicContact CD1-CE2 4.05Å
551	K	85.2	Confident	87.1	Confident	206 Å²	206	71.6 Å²	71.6	90%	0.896	37%	0.365	S	S	*	.	S	Bend	trans	-72.2	-34.9	171.7	-65.5	-176.7	178.8	179	0	112.3
552	Q	81.5	Confident	86.6	Confident	162 Å²	162	72.1 Å²	72.1	76%	0.757	37%	0.368	S	S	*	.	S	Bend	trans	-122.2	149.7	-177.7	-66.5	-171.5	-2.6	0	0	110.8	L550	L550-Q552 WeakPolarHBondContact CB-O 3.31Å
553	R	76.4	Confident	85.9	Confident	153 Å²	153	81 Å²	81	58%	0.577	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-65.2	126.4	178.3	-173.7	178.6	67.2	124.7	0.7	109.8	Y526	Y526-R553 HydrophobicContact CE2-CB 4.46Å
554	P	75.5	Confident	85.4	Confident	17 Å²	17	83 Å²	83	11%	0.11	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-69.5	153.1	177.1	26.8	-31.3	0	0	0	111.5	L550 K558 L559 F569	L550-P554 HydrophobicContact CD1-CB 4Å; L550-P554 HydrophobicContact CD1-CG 3.66Å; P554-K558 HydrophobicContact CB-CB 4.19Å; P554-K558 HydrophobicContact CB-CG 4.17Å; P554-L559 HydrophobicContact CB-CD2 4.35Å; P554-L559 HydrophobicContact CB-CG 4.36Å; P554-L559 HydrophobicContact CG-CD2 3.63Å; P554-L559 HydrophobicContact CG-CG 4.01Å; P554-F569 HydrophobicContact CG-CD2 4.41Å; P554-F569 HydrophobicContact CG-CE1 4.32Å; P554-F569 HydrophobicContact CG-CE2 3.84Å; P554-F569 HydrophobicContact CG-CZ 3.77Å
555	S	78.4	Confident	85	Confident	73 Å²	73	87.9 Å²	87.9	51%	0.51	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-71.7	158.1	171.9	66.9	0	0	0	0	111.2	K557 K558 L559	S555-K557 PolarHBondContact O-N 3.41Å; S555-K558 WeakPolarHBondContact O-CB 3.21Å; S555-K558 PolarHBondContact O-N 3.36Å; S555-K558 PolarHBondContact OG-N 3.46Å; S555-L559 PolarHBondContact O-N 2.8Å
556	S	75	Confident	84.5	Confident	99 Å²	99	90 Å²	90	69%	0.692	46%	0.455	S	S	*	.	H	α-helix	trans	-56.6	-38.1	178	-49.2	0	0	0	0	112.5	K558 L559 L560	S556-K558 VanDerWaalsContact C-N 3.34Å; S556-K558 PolarHBondContact O-N 2.58Å; S556-L559 PolarHBondContact O-N 3.31Å; S556-L560 PolarHBondContact O-N 3.11Å; S556-L560 VanDerWaalsContact O-N 3.15Å
557	K	77.9	Confident	84.2	Confident	179 Å²	179	90.4 Å²	90.4	78%	0.778	45%	0.452	S	S	*	.	H	α-helix	trans	-61.5	-41.2	174.9	-170.2	177.2	-177.8	178.3	0	111.8	S555 L560 Q561	S555-K557 PolarHBondContact O-N 3.41Å; K557-L560 PolarHBondContact O-N 3.26Å; K557-Q561 PolarHBondContact O-N 2.87Å
558	K	81.2	Confident	84	Confident	87 Å²	87	95.3 Å²	95.3	38%	0.378	47%	0.469	S	S	.	.	H	α-helix	trans	-68.4	-35.8	177.9	-173.9	59.1	-178.9	176.9	0	112	P554 S555 S556 Q561 L562	P554-K558 HydrophobicContact CB-CB 4.19Å; P554-K558 HydrophobicContact CB-CG 4.17Å; S555-K558 WeakPolarHBondContact O-CB 3.21Å; S555-K558 PolarHBondContact O-N 3.36Å; S555-K558 PolarHBondContact OG-N 3.46Å; S556-K558 VanDerWaalsContact C-N 3.34Å; S556-K558 PolarHBondContact O-N 2.58Å; K558-Q561 PolarHBondContact O-N 3.49Å; K558-L562 HydrophobicContact CG-CD1 4.25Å; K558-L562 VanDerWaalsContact O-CG 3.28Å; K558-L562 WeakPolarHBondContact O-CG 3.43Å; K558-L562 PolarHBondContact O-N 3.38Å
559	L	81.1	Confident	83.8	Confident	35 Å²	35	93.1 Å²	93.1	18%	0.183	45%	0.451	C	S	.	.	H	α-helix	trans	-63.4	-41.5	176	-72.3	173.5	0	0	0	112.5	P554 S555 S556 L562 R563 F569 I589	P554-L559 HydrophobicContact CB-CD2 4.35Å; P554-L559 HydrophobicContact CB-CG 4.36Å; P554-L559 HydrophobicContact CG-CD2 3.63Å; P554-L559 HydrophobicContact CG-CG 4.01Å; S555-L559 PolarHBondContact O-N 2.8Å; S556-L559 PolarHBondContact O-N 3.31Å; L559-L562 PolarHBondContact O-N 3.5Å; L559-R563 PolarHBondContact O-N 2.85Å; L559-R563 VanDerWaalsContact O-N 3.09Å; L559-F569 HydrophobicContact CD2-CB 3.85Å; L559-F569 HydrophobicContact CD2-CD1 3.33Å; L559-F569 HydrophobicContact CD2-CD2 4.1Å; L559-F569 HydrophobicContact CD2-CE1 3.82Å; L559-F569 HydrophobicContact CD2-CG 3.47Å; L559-F569 VanDerWaalsContact CD2-CG 3.47Å; L559-F569 HydrophobicContact CD2-CZ 4.39Å; L559-I589 HydrophobicContact CD1-CD1 3.71Å
560	L	78.7	Confident	83.7	Confident	89 Å²	89	91.6 Å²	91.6	47%	0.466	44%	0.442	S	S	.	.	H	α-helix	trans	-60.9	-47.6	175.7	-72.8	168.3	0	0	0	111.6	S556 K557 L562 R563 E564	S556-L560 PolarHBondContact O-N 3.11Å; S556-L560 VanDerWaalsContact O-N 3.15Å; K557-L560 PolarHBondContact O-N 3.26Å; L560-L562 VanDerWaalsContact C-N 3.33Å; L560-L562 PolarHBondContact O-N 3.28Å; L560-R563 WeakPolarHBondContact O-CB 3.16Å; L560-R563 PolarHBondContact O-N 3.33Å; L560-R563 VanDerWaalsContact O-N 3.14Å; L560-E564 PolarHBondContact O-N 2.97Å; L560-E564 VanDerWaalsContact O-N 3.1Å
561	Q	83.4	Confident	83.8	Confident	87 Å²	87	89 Å²	89	41%	0.407	43%	0.428	S	S	.	.	H	α-helix	trans	-60	-41.1	177.4	-171.6	-174.4	36.9	0	0	112.5	K557 K558 R563 E564 Q565	K557-Q561 PolarHBondContact O-N 2.87Å; K558-Q561 PolarHBondContact O-N 3.49Å; Q561-R563 VanDerWaalsContact C-N 3.3Å; Q561-R563 PolarHBondContact O-N 3.27Å; Q561-E564 PolarHBondContact O-N 3.28Å; Q561-Q565 WeakPolarHBondContact O-CG 3.37Å; Q561-Q565 PolarHBondContact O-N 3.36Å; Q561-Q565 VanDerWaalsContact O-N 3.17Å
562	L	84.9	Confident	84.3	Confident	15 Å²	15	79.2 Å²	79.2	8%	0.079	39%	0.386	C	S	.	.	H	α-helix	trans	-63.4	-38.9	177.4	-73.1	168.7	0	0	0	111.6	L524 K558 L559 L560 Q565 G566 V567	L524-L562 HydrophobicContact CD2-CD1 3.57Å; L524-L562 HydrophobicContact CD2-CD2 4.29Å; K558-L562 HydrophobicContact CG-CD1 4.25Å; K558-L562 VanDerWaalsContact O-CG 3.28Å; K558-L562 WeakPolarHBondContact O-CG 3.43Å; K558-L562 PolarHBondContact O-N 3.38Å; L559-L562 PolarHBondContact O-N 3.5Å; L560-L562 VanDerWaalsContact C-N 3.33Å; L560-L562 PolarHBondContact O-N 3.28Å; L562-Q565 PolarHBondContact O-N 2.8Å; L562-G566 PolarHBondContact O-N 2.83Å; L562-V567 CarbonylContact C-O 3.52Å; L562-V567 HydrophobicContact CB-CB 4.28Å; L562-V567 HydrophobicContact CD2-CB 4.23Å; L562-V567 HydrophobicContact CD2-CG1 4.21Å; L562-V567 WeakPolarHBondContact O-CB 3.45Å; L562-V567 PolarHBondContact O-N 3.18Å
563	R	82.6	Confident	84.9	Confident	185 Å²	185	71.6 Å²	71.6	70%	0.698	35%	0.35	S	S	*	.	H	α-helix	trans	-64.4	-40.2	176.9	-167.6	179.4	71.1	-179	3.5	111.9	L559 L560 Q561 Q565 G566	L559-R563 PolarHBondContact O-N 2.85Å; L559-R563 VanDerWaalsContact O-N 3.09Å; L560-R563 WeakPolarHBondContact O-CB 3.16Å; L560-R563 PolarHBondContact O-N 3.33Å; L560-R563 VanDerWaalsContact O-N 3.14Å; Q561-R563 VanDerWaalsContact C-N 3.3Å; Q561-R563 PolarHBondContact O-N 3.27Å; R563-Q565 VanDerWaalsContact C-N 3.27Å; R563-Q565 PolarHBondContact O-N 3.23Å; R563-G566 PolarHBondContact O-N 3.49Å
564	E	86	Confident	85.6	Confident	156 Å²	156	65.2 Å²	65.2	73%	0.729	33%	0.329	S	S	*	.	H	α-helix	trans	-62.9	-33.3	175.2	-69.9	167.1	179.2	0	0	112.3	L560 Q561 G566	L560-E564 PolarHBondContact O-N 2.97Å; L560-E564 VanDerWaalsContact O-N 3.1Å; Q561-E564 PolarHBondContact O-N 3.28Å; E564-G566 PolarHBondContact O-N 3.32Å
565	Q	86.6	Confident	86	Confident	116 Å²	116	68.1 Å²	68.1	54%	0.542	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1	174.6	-66.7	175.5	-15.4	0	0	113.6	Q561 L562 R563 V567	Q561-Q565 WeakPolarHBondContact O-CG 3.37Å; Q561-Q565 PolarHBondContact O-N 3.36Å; Q561-Q565 VanDerWaalsContact O-N 3.17Å; L562-Q565 PolarHBondContact O-N 2.8Å; R563-Q565 VanDerWaalsContact C-N 3.27Å; R563-Q565 PolarHBondContact O-N 3.23Å; Q565-V567 VanDerWaalsContact C-N 3.25Å; Q565-V567 HydrophobicContact CB-CG2 4.28Å; Q565-V567 PolarHBondContact O-N 3.15Å
566	G	87	Confident	86.3	Confident	47 Å²	47	66.4 Å²	66.4	49%	0.485	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	15.6	-175.6	0	0	0	0	0	114.1	L562 R563 E564	L562-G566 PolarHBondContact O-N 2.83Å; R563-G566 PolarHBondContact O-N 3.49Å; E564-G566 PolarHBondContact O-N 3.32Å
567	V	89.2	Confident	87	Confident	33 Å²	33	61.7 Å²	61.7	20%	0.2	30%	0.296	C	S	.	.			trans	-86.4	122.4	175.3	179.4	0	0	0	0	109.2	K522 L524 L562 Q565	K522-V567 WeakPolarHBondContact O-CA 3.45Å; L524-V567 HydrophobicContact CB-CG1 3.88Å; L562-V567 CarbonylContact C-O 3.52Å; L562-V567 HydrophobicContact CB-CB 4.28Å; L562-V567 HydrophobicContact CD2-CB 4.23Å; L562-V567 HydrophobicContact CD2-CG1 4.21Å; L562-V567 WeakPolarHBondContact O-CB 3.45Å; L562-V567 PolarHBondContact O-N 3.18Å; Q565-V567 VanDerWaalsContact C-N 3.25Å; Q565-V567 HydrophobicContact CB-CG2 4.28Å; Q565-V567 PolarHBondContact O-N 3.15Å
568	R	90.6	Very high	87.4	Confident	108 Å²	108	54 Å²	54	41%	0.408	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	135.3	175.4	-66.5	-166.6	70.5	175.1	-1.7	110.4	K522 I523 L524 D590 F608	K522-R568 PolarHBondContact O-N 3.05Å; I523-R568 WeakPolarHBondContact CA-O 3.45Å; L524-R568 PolarHBondContact N-O 3.28Å; R568-D590 IonicContact CZ-OD2 2.72Å; R568-D590 IonicContact NE-OD2 3.82Å; R568-D590 IonicContact NH2-OD1 2.9Å; R568-D590 IonicContact NH2-OD2 2.66Å; R568-D590 PolarHBondContact NH2-OD2 2.93Å; R568-F608 VanDerWaalsContact CZ-CE1 3.49Å; R568-F608 VanDerWaalsContact CZ-CZ 3.43Å; R568-F608 VanDerWaalsContact NH1-CZ 3.3Å
569	F	91.5	Very high	87.4	Confident	23 Å²	23	51.3 Å²	51.3	10%	0.101	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.3	177.1	-179.8	-108.2	0	0	0	110.8	L524 Y526 L550 P554 L559 I571 I589	L524-F569 HydrophobicContact CB-CD2 4.28Å; L524-F569 HydrophobicContact CD2-CD2 4.23Å; L524-F569 HydrophobicContact CG-CD2 4.19Å; L524-F569 CarbonylContact O-C 3.21Å; L524-F569 WeakPolarHBondContact O-CA 3.47Å; L524-F569 WeakPolarHBondContact O-CD2 3.43Å; Y526-F569 HydrophobicContact CG-CZ 4.48Å; L550-F569 HydrophobicContact CD1-CE2 4.05Å; P554-F569 HydrophobicContact CG-CD2 4.41Å; P554-F569 HydrophobicContact CG-CE1 4.32Å; P554-F569 HydrophobicContact CG-CE2 3.84Å; P554-F569 HydrophobicContact CG-CZ 3.77Å; L559-F569 HydrophobicContact CD2-CB 3.85Å; L559-F569 HydrophobicContact CD2-CD1 3.33Å; L559-F569 HydrophobicContact CD2-CD2 4.1Å; L559-F569 HydrophobicContact CD2-CE1 3.82Å; L559-F569 HydrophobicContact CD2-CG 3.47Å; L559-F569 VanDerWaalsContact CD2-CG 3.47Å; L559-F569 HydrophobicContact CD2-CZ 4.39Å; F569-I571 HydrophobicContact CD1-CG1 4.41Å; F569-I571 HydrophobicContact CE1-CD1 3.9Å; F569-I571 HydrophobicContact CE1-CG1 3.59Å; F569-I571 HydrophobicContact CZ-CD1 4.44Å; F569-I571 HydrophobicContact CZ-CG1 3.94Å; F569-I589 HydrophobicContact CD1-CG2 3.78Å; F569-I589 HydrophobicContact CE1-CG2 4.06Å
570	V	93.7	Very high	87.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.1	-175.8	-177.4	0	0	0	0	110	I523 L524 F525 Y526 I572 D590 F596 F608	I523-V570 HydrophobicContact CG2-CB 4.44Å; I523-V570 HydrophobicContact CG2-CG2 3.82Å; L524-V570 PolarHBondContact O-N 2.91Å; F525-V570 CarbonylContact C-O 3.57Å; F525-V570 VanDerWaalsContact CA-O 3.24Å; F525-V570 WeakPolarHBondContact CA-O 3.4Å; F525-V570 HydrophobicContact CD1-CB 3.88Å; F525-V570 HydrophobicContact CD1-CG1 4.06Å; F525-V570 HydrophobicContact CE1-CB 3.91Å; F525-V570 HydrophobicContact CE1-CG1 3.9Å; Y526-V570 PolarHBondContact N-O 3.47Å; V570-I572 HydrophobicContact CG1-CD1 3.97Å; V570-D590 HydrophobicContact CG1-CB 4.45Å; V570-D590 HydrophobicContact CG2-CB 4.22Å; V570-F596 HydrophobicContact CG1-CD1 4.32Å; V570-F596 HydrophobicContact CG1-CE1 4.12Å; V570-F608 HydrophobicContact CG2-CE1 3.98Å
571	I	93.6	Very high	87.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.5	174.3	-59.2	178.4	0	0	0	109	Y526 T528 F569 L584 I589 D590 V591 H592	Y526-I571 HydrophobicContact CD1-CG1 4.41Å; Y526-I571 HydrophobicContact CD1-CG2 4.14Å; Y526-I571 CarbonylContact O-C 3.36Å; Y526-I571 WeakPolarHBondContact O-CA 3.38Å; T528-I571 HydrophobicContact CG2-CG2 4.26Å; F569-I571 HydrophobicContact CD1-CG1 4.41Å; F569-I571 HydrophobicContact CE1-CD1 3.9Å; F569-I571 HydrophobicContact CE1-CG1 3.59Å; F569-I571 HydrophobicContact CZ-CD1 4.44Å; F569-I571 HydrophobicContact CZ-CG1 3.94Å; I571-L584 HydrophobicContact CD1-CB 4.2Å; I571-L584 HydrophobicContact CD1-CD1 3.42Å; I571-L584 VanDerWaalsContact CD1-CD1 3.42Å; I571-L584 HydrophobicContact CD1-CG 4.36Å; I571-I589 HydrophobicContact CD1-CG2 3.86Å; I571-I589 HydrophobicContact CG1-CG2 4Å; I571-D590 PolarHBondContact N-O 3.14Å; I571-V591 HydrophobicContact CB-CG2 4.21Å; I571-V591 HydrophobicContact CD1-CG2 4.35Å; I571-V591 HydrophobicContact CG2-CG1 4.44Å; I571-V591 CarbonylContact O-C 3.6Å; I571-V591 WeakPolarHBondContact O-CA 3.5Å; I571-H592 PolarHBondContact O-N 3.02Å
572	I	95.7	Very high	87.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.1	171.9	-53.3	-61.8	0	0	0	108.3	F525 Y526 L527 T528 V531 V570 H592 A594 F596 I597	F525-I572 HydrophobicContact CD1-CD1 4.14Å; F525-I572 HydrophobicContact CD1-CG1 3.79Å; F525-I572 HydrophobicContact CE1-CD1 4.14Å; F525-I572 HydrophobicContact CE1-CG1 4.26Å; Y526-I572 PolarHBondContact O-N 3.32Å; L527-I572 HydrophobicContact CD2-CB 3.59Å; L527-I572 HydrophobicContact CD2-CG1 3.7Å; L527-I572 HydrophobicContact CD2-CG2 4.34Å; T528-I572 PolarHBondContact N-O 2.8Å; V531-I572 HydrophobicContact CG1-CG2 4.32Å; V531-I572 WeakPolarHBondContact CG1-O 3.49Å; V570-I572 HydrophobicContact CG1-CD1 3.97Å; I572-H592 WeakPolarHBondContact CA-O 3.22Å; I572-H592 HydrophobicContact CD1-CB 4.09Å; I572-A594 HydrophobicContact CG2-CB 4.19Å; I572-F596 HydrophobicContact CD1-CB 4.15Å; I572-F596 HydrophobicContact CD1-CD1 4.04Å; I572-F596 HydrophobicContact CD1-CG 4.4Å; I572-I597 HydrophobicContact CD1-CD1 4.16Å; I572-I597 HydrophobicContact CD1-CG1 4.22Å; I572-I597 HydrophobicContact CG1-CD1 3.69Å; I572-I597 HydrophobicContact CG1-CG1 4.3Å
573	T	93.5	Very high	86.9	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.012	26%	0.257	C	S	.	.			trans	-137	179.1	-178.9	-164	0	0	0	0	111.8	T528 D577 F578 V591 H592 L613	T528-T573 WeakPolarHBondContact CG2-OG1 3.38Å; T528-T573 WeakPolarHBondContact OG1-CA 3.16Å; T528-T573 PolarHBondContact OG1-OG1 3.05Å; T573-D577 WeakPolarHBondContact OG1-CB 3.38Å; T573-F578 HydrophobicContact CG2-CD2 4.04Å; T573-V591 HydrophobicContact CG2-CG1 3.53Å; T573-H592 PolarHBondContact N-O 3.36Å; T573-L613 HydrophobicContact CG2-CD1 3.53Å
574	C	90.5	Very high	86.6	Confident	18 Å²	18	43.7 Å²	43.7	12%	0.122	23%	0.228	C	C	.	.			trans	-139	169.3	176.3	65.7	0	0	0	0	109.1	S530 V531 N576 D577 F578	S530-C574 VanDerWaalsContact C-SG 3.59Å; S530-C574 PolarHBondContact O-SG 3.18Å; V531-C574 HydrophobicContact CG1-CB 4.36Å; C574-N576 PolarHBondContact O-N 3.23Å; C574-D577 PolarHBondContact O-N 3.34Å; C574-F578 PolarHBondContact O-N 3.44Å
575	D	85	Confident	86.1	Confident	78 Å²	78	37.1 Å²	37.1	42%	0.417	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-34.2	-179	-76.7	-33.5	0	0	0	113.5	R262 D577	R262-D575 VanDerWaalsContact CD-O 3.29Å; R262-D575 WeakPolarHBondContact CD-O 3.46Å; R262-D575 PolarHBondContact NE-O 3.05Å; R262-D575 PolarHBondContact NH2-O 2.81Å; D575-D577 VanDerWaalsContact C-N 3.33Å; D575-D577 PolarHBondContact O-N 3.07Å
576	N	84.5	Confident	85.5	Confident	38 Å²	38	38.8 Å²	38.8	20%	0.203	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.6	-179.6	-67.3	-34.7	0	0	0	112.5	Y263 C574 H579	Y263-N576 WeakPolarHBondContact O-CB 3.34Å; Y263-N576 VanDerWaalsContact O-CG 3.26Å; Y263-N576 PolarHBondContact O-ND2 3.06Å; C574-N576 PolarHBondContact O-N 3.23Å; N576-H579 PolarHBondContact O-CE1 2.77Å; N576-H579 PolarHBondContact O-ND1 3.24Å
577	D	88.7	Confident	85	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-6	-175	-71.3	-9.7	0	0	0	113.7	Y266 T528 P529 S530 T573 C574 D575 H579 L580	Y266-D577 WeakPolarHBondContact CE1-OD1 3.39Å; Y266-D577 VanDerWaalsContact CZ-OD1 3.31Å; Y266-D577 PolarHBondContact OH-OD1 2.82Å; T528-D577 VanDerWaalsContact C-OD2 3.28Å; T528-D577 WeakPolarHBondContact CB-OD2 3.34Å; T528-D577 HydrophobicContact CG2-CB 4.29Å; T528-D577 WeakPolarHBondContact OG1-CB 3.48Å; T528-D577 PolarHBondContact OG1-OD2 3.01Å; P529-D577 WeakPolarHBondContact CD-OD2 3.32Å; P529-D577 VanDerWaalsContact N-OD2 3.11Å; S530-D577 WeakPolarHBondContact CA-OD2 3.49Å; S530-D577 VanDerWaalsContact CB-CG 3.45Å; S530-D577 WeakPolarHBondContact CB-OD1 3.49Å; S530-D577 VanDerWaalsContact CB-OD2 3.24Å; S530-D577 WeakPolarHBondContact CB-OD2 3.27Å; S530-D577 PolarHBondContact N-OD2 3.47Å; S530-D577 PolarHBondContact OG-OD1 3.23Å; S530-D577 PolarHBondContact OG-OD2 3.44Å; T573-D577 WeakPolarHBondContact OG1-CB 3.38Å; C574-D577 PolarHBondContact O-N 3.34Å; D575-D577 VanDerWaalsContact C-N 3.33Å; D575-D577 PolarHBondContact O-N 3.07Å; D577-H579 PolarHBondContact O-N 2.92Å; D577-L580 HydrophobicContact CB-CD1 4.18Å; D577-L580 WeakPolarHBondContact O-CB 3.22Å; D577-L580 WeakPolarHBondContact O-CG 3.49Å; D577-L580 PolarHBondContact O-N 2.9Å
578	F	86.7	Confident	84.5	Confident	18 Å²	18	42 Å²	42	8%	0.079	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-54.9	-28.4	-175.2	-172.2	-94	0	0	0	113.4	T573 C574 L580 C581 Q582 V585 V591 L613 E614 P615	T573-F578 HydrophobicContact CG2-CD2 4.04Å; C574-F578 PolarHBondContact O-N 3.44Å; F578-L580 PolarHBondContact O-N 3.03Å; F578-C581 PolarHBondContact O-N 3.01Å; F578-Q582 PolarHBondContact O-N 3.13Å; F578-V585 HydrophobicContact CE2-CG2 4.22Å; F578-V585 HydrophobicContact CZ-CG2 4.08Å; F578-V591 HydrophobicContact CE2-CG1 4.49Å; F578-L613 HydrophobicContact CD2-CB 4.04Å; F578-L613 HydrophobicContact CD2-CD1 4.34Å; F578-L613 HydrophobicContact CE2-CB 3.65Å; F578-E614 WeakPolarHBondContact CZ-O 3.24Å; F578-P615 HydrophobicContact CE1-CB 4.2Å; F578-P615 HydrophobicContact CZ-CB 4.35Å; F578-P615 HydrophobicContact CZ-CG 4.37Å
579	H	82.3	Confident	84.2	Confident	30 Å²	30	38 Å²	38	14%	0.139	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.5	-24.1	173.5	69	-80.5	0	0	0	113.7	I238 Y266 N576 D577 C581	I238-H579 HydrophobicContact CD1-CB 4.04Å; I238-H579 VanDerWaalsContact CD1-CG 3.47Å; Y266-H579 PolarHBondContact OH-CE1 2.86Å; Y266-H579 VanDerWaalsContact OH-CE1 3.26Å; N576-H579 PolarHBondContact O-CE1 2.77Å; N576-H579 PolarHBondContact O-ND1 3.24Å; D577-H579 PolarHBondContact O-N 2.92Å; H579-C581 VanDerWaalsContact C-N 3.33Å
580	L	84.3	Confident	84.1	Confident	59 Å²	59	38.1 Å²	38.1	31%	0.309	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-75.8	-21.3	173.9	-56.1	178.5	0	0	0	112.8	L270 D577 F578	L270-L580 HydrophobicContact CD1-CD2 3.7Å; D577-L580 HydrophobicContact CB-CD1 4.18Å; D577-L580 WeakPolarHBondContact O-CB 3.22Å; D577-L580 WeakPolarHBondContact O-CG 3.49Å; D577-L580 PolarHBondContact O-N 2.9Å; F578-L580 PolarHBondContact O-N 3.03Å
581	C	83.8	Confident	84	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.014	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-1.3	-172.4	-57.2	0	0	0	0	113.3	F578 H579 T583 L584 V585 V591	F578-C581 PolarHBondContact O-N 3.01Å; H579-C581 VanDerWaalsContact C-N 3.33Å; C581-T583 VanDerWaalsContact C-N 3.32Å; C581-T583 PolarHBondContact O-N 3.38Å; C581-L584 WeakPolarHBondContact O-CA 3.47Å; C581-L584 WeakPolarHBondContact O-CB 3.33Å; C581-L584 PolarHBondContact O-N 2.98Å; C581-V585 WeakPolarHBondContact O-CG2 3.22Å; C581-V585 PolarHBondContact O-N 3.45Å; C581-V591 HydrophobicContact CB-CG1 4.25Å
582	Q	76.2	Confident	84	Confident	84 Å²	84	38.2 Å²	38.2	39%	0.393	22%	0.215	S	C	.	.	H	α-helix	trans	-58	-40.7	-170.9	-166.8	167.2	6.9	0	0	113.3	F578	F578-Q582 PolarHBondContact O-N 3.13Å
583	T	73.6	Confident	83.9	Confident	90 Å²	90	39.6 Å²	39.6	55%	0.552	23%	0.225	S	C	*	.	H	α-helix	trans	-72.8	-27.9	174.9	51.5	0	0	0	0	112.9	C581 Q586 T587	C581-T583 VanDerWaalsContact C-N 3.32Å; C581-T583 PolarHBondContact O-N 3.38Å; T583-Q586 PolarHBondContact O-N 2.87Å; T583-T587 PolarHBondContact O-N 2.66Å
584	L	76.2	Confident	84	Confident	15 Å²	15	39.9 Å²	39.9	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-77.4	-35.2	-177.4	-60.2	172.4	0	0	0	111.8	I571 C581 Q586 T587 I589	I571-L584 HydrophobicContact CD1-CB 4.2Å; I571-L584 HydrophobicContact CD1-CD1 3.42Å; I571-L584 VanDerWaalsContact CD1-CD1 3.42Å; I571-L584 HydrophobicContact CD1-CG 4.36Å; C581-L584 WeakPolarHBondContact O-CA 3.47Å; C581-L584 WeakPolarHBondContact O-CB 3.33Å; C581-L584 PolarHBondContact O-N 2.98Å; L584-Q586 PolarHBondContact O-N 2.92Å; L584-T587 WeakPolarHBondContact CA-OG1 3.45Å; L584-T587 PolarHBondContact O-N 2.9Å; L584-T587 VanDerWaalsContact O-N 3.08Å; L584-T587 PolarHBondContact O-OG1 3.04Å; L584-I589 HydrophobicContact CB-CD1 4.29Å; L584-I589 HydrophobicContact CD2-CD1 3.92Å; L584-I589 PolarHBondContact O-N 3.43Å
585	V	75.5	Confident	84.1	Confident	18 Å²	18	40.7 Å²	40.7	11%	0.109	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-36.9	174.2	-178.2	0	0	0	0	110.6	F578 C581 T587 G588 V591 P615	F578-V585 HydrophobicContact CE2-CG2 4.22Å; F578-V585 HydrophobicContact CZ-CG2 4.08Å; C581-V585 WeakPolarHBondContact O-CG2 3.22Å; C581-V585 PolarHBondContact O-N 3.45Å; V585-T587 VanDerWaalsContact C-N 3.28Å; V585-T587 PolarHBondContact O-N 3.31Å; V585-G588 PolarHBondContact O-N 3.3Å; V585-G588 VanDerWaalsContact O-N 3.14Å; V585-V591 HydrophobicContact CG2-CB 4.01Å; V585-V591 HydrophobicContact CG2-CG1 4.35Å; V585-V591 HydrophobicContact CG2-CG2 3.68Å; V585-P615 HydrophobicContact CB-CG 4.14Å; V585-P615 HydrophobicContact CG1-CG 3.79Å
586	Q	73.4	Confident	84.7	Confident	152 Å²	152	37 Å²	37	71%	0.71	21%	0.209	S	C	*	.	H	α-helix	trans	-66.9	-27.6	175.8	-65.3	172.6	-16.8	0	0	113	T583 L584 G588	T583-Q586 PolarHBondContact O-N 2.87Å; L584-Q586 PolarHBondContact O-N 2.92Å; Q586-G588 PolarHBondContact O-N 3.03Å
587	T	76.6	Confident	85.3	Confident	98 Å²	98	35.2 Å²	35.2	60%	0.601	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-0	174.3	60.2	0	0	0	0	114.1	T583 L584 V585 I589	T583-T587 PolarHBondContact O-N 2.66Å; L584-T587 WeakPolarHBondContact CA-OG1 3.45Å; L584-T587 PolarHBondContact O-N 2.9Å; L584-T587 VanDerWaalsContact O-N 3.08Å; L584-T587 PolarHBondContact O-OG1 3.04Å; V585-T587 VanDerWaalsContact C-N 3.28Å; V585-T587 PolarHBondContact O-N 3.31Å; T587-I589 VanDerWaalsContact C-N 3.34Å; T587-I589 WeakPolarHBondContact OG1-CD1 3.24Å; T587-I589 WeakPolarHBondContact OG1-CG1 3.16Å
588	G	78.4	Confident	85.7	Confident	49 Å²	49	35.5 Å²	35.5	51%	0.505	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	13.6	-179.9	0	0	0	0	0	114.8	V585 Q586	V585-G588 PolarHBondContact O-N 3.3Å; V585-G588 VanDerWaalsContact O-N 3.14Å; Q586-G588 PolarHBondContact O-N 3.03Å
589	I	84.5	Confident	86	Confident	25 Å²	25	34.9 Å²	34.9	13%	0.128	20%	0.199	C	C	.	.			trans	-68.9	140.7	174.3	-65.3	168.5	0	0	0	109.4	L559 F569 I571 L584 T587 V591	L559-I589 HydrophobicContact CD1-CD1 3.71Å; F569-I589 HydrophobicContact CD1-CG2 3.78Å; F569-I589 HydrophobicContact CE1-CG2 4.06Å; I571-I589 HydrophobicContact CD1-CG2 3.86Å; I571-I589 HydrophobicContact CG1-CG2 4Å; L584-I589 HydrophobicContact CB-CD1 4.29Å; L584-I589 HydrophobicContact CD2-CD1 3.92Å; L584-I589 PolarHBondContact O-N 3.43Å; T587-I589 VanDerWaalsContact C-N 3.34Å; T587-I589 WeakPolarHBondContact OG1-CD1 3.24Å; T587-I589 WeakPolarHBondContact OG1-CG1 3.16Å; I589-V591 PolarHBondContact O-N 2.71Å; I589-V591 VanDerWaalsContact O-N 3.13Å
590	D	88.5	Confident	86.7	Confident	24 Å²	24	33.6 Å²	33.6	13%	0.128	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	105.8	176	-74.3	-45.3	0	0	0	110.1	R568 V570 I571 H592 F608	R568-D590 IonicContact CZ-OD2 2.72Å; R568-D590 IonicContact NE-OD2 3.82Å; R568-D590 IonicContact NH2-OD1 2.9Å; R568-D590 IonicContact NH2-OD2 2.66Å; R568-D590 PolarHBondContact NH2-OD2 2.93Å; V570-D590 HydrophobicContact CG1-CB 4.45Å; V570-D590 HydrophobicContact CG2-CB 4.22Å; I571-D590 PolarHBondContact N-O 3.14Å; D590-H592 WeakPolarHBondContact CB-NE2 3.44Å; D590-H592 IonicContact OD1-NE2 3.85Å; D590-F608 HydrophobicContact CB-CD1 4.4Å
591	V	91.9	Very high	87.3	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.7	177.6	-176.2	0	0	0	0	109.2	I571 T573 F578 C581 V585 I589 R612 L613	I571-V591 HydrophobicContact CB-CG2 4.21Å; I571-V591 HydrophobicContact CD1-CG2 4.35Å; I571-V591 HydrophobicContact CG2-CG1 4.44Å; I571-V591 CarbonylContact O-C 3.6Å; I571-V591 WeakPolarHBondContact O-CA 3.5Å; T573-V591 HydrophobicContact CG2-CG1 3.53Å; F578-V591 HydrophobicContact CE2-CG1 4.49Å; C581-V591 HydrophobicContact CB-CG1 4.25Å; V585-V591 HydrophobicContact CG2-CB 4.01Å; V585-V591 HydrophobicContact CG2-CG1 4.35Å; V585-V591 HydrophobicContact CG2-CG2 3.68Å; I589-V591 PolarHBondContact O-N 2.71Å; I589-V591 VanDerWaalsContact O-N 3.13Å; V591-R612 WeakPolarHBondContact O-CA 3.41Å; V591-L613 HydrophobicContact CG1-CB 4.46Å; V591-L613 PolarHBondContact O-N 2.69Å
592	H	94.3	Very high	87.9	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	164.5	-172.7	-61	-90.7	0	0	0	113	I571 I572 T573 D590 F596 F608 Y611 R612	I571-H592 PolarHBondContact O-N 3.02Å; I572-H592 WeakPolarHBondContact CA-O 3.22Å; I572-H592 HydrophobicContact CD1-CB 4.09Å; T573-H592 PolarHBondContact N-O 3.36Å; D590-H592 WeakPolarHBondContact CB-NE2 3.44Å; D590-H592 IonicContact OD1-NE2 3.85Å; H592-F596 HydrophobicContact CB-CB 3.71Å; H592-F596 HydrophobicContact CB-CD2 4.27Å; H592-F596 HydrophobicContact CB-CG 4.06Å; H592-F596 AromaticContact CG-CD2 3.85Å; H592-F596 AromaticContact ND1-CD2 3.83Å; H592-F608 PolarHBondContact CE1-O 3.43Å; H592-F608 AromaticContact NE2-CD1 3.99Å; H592-Y611 CarbonylContact C-O 3.59Å; H592-Y611 WeakPolarHBondContact CA-O 3.38Å; H592-Y611 WeakPolarHBondContact CB-O 3.15Å; H592-Y611 PolarHBondContact ND1-O 2.94Å; H592-R612 WeakPolarHBondContact ND1-CA 3.47Å; H592-R612 PolarHBondContact ND1-N 3.02Å
593	S	93.9	Very high	88.8	Confident	29 Å²	29	29.4 Å²	29.4	20%	0.203	17%	0.17	C	C	.	.			trans	-78.2	168.4	167.3	76.3	0	0	0	0	111.7	E595 F596 Y611	S593-E595 PolarHBondContact O-N 3.08Å; S593-E595 VanDerWaalsContact O-N 3.08Å; S593-E595 PolarHBondContact OG-N 3.27Å; S593-F596 WeakPolarHBondContact O-CB 3.43Å; S593-F596 PolarHBondContact O-N 3.1Å; S593-F596 VanDerWaalsContact O-N 3.14Å; S593-Y611 PolarHBondContact N-O 3.19Å
594	A	94.8	Very high	89.9	Confident	8 Å²	8	26.1 Å²	26.1	7%	0.066	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.7	177.1	0	0	0	0	0	113.5	Q532 L538 I572 F596 I597 L598	Q532-A594 WeakPolarHBondContact O-CB 3.31Å; L538-A594 HydrophobicContact CD1-CB 4.29Å; I572-A594 HydrophobicContact CG2-CB 4.19Å; A594-F596 PolarHBondContact O-N 3.38Å; A594-I597 PolarHBondContact O-N 3.48Å; A594-L598 HydrophobicContact CB-CD1 4.45Å; A594-L598 WeakPolarHBondContact O-CG 3.5Å; A594-L598 PolarHBondContact O-N 2.86Å
595	E	94	Very high	90.7	Very high	35 Å²	35	29.8 Å²	29.8	16%	0.164	17%	0.166	C	C	.	.	H	α-helix	trans	-63.7	-25.5	177.9	-69.1	-59	141.8	0	0	113.4	R457 S593 I597 L598 T599 G600 Y611	R457-E595 IonicContact CZ-OE1 3.94Å; R457-E595 VanDerWaalsContact CZ-OE1 3.27Å; R457-E595 IonicContact CZ-OE2 3.77Å; R457-E595 IonicContact NH1-OE1 2.77Å; R457-E595 PolarHBondContact NH1-OE1 3.4Å; R457-E595 IonicContact NH1-OE2 3.77Å; R457-E595 PolarHBondContact NH1-OE2 3.27Å; R457-E595 IonicContact NH2-OE1 3.55Å; R457-E595 PolarHBondContact NH2-OE1 2.79Å; S593-E595 PolarHBondContact O-N 3.08Å; S593-E595 VanDerWaalsContact O-N 3.08Å; S593-E595 PolarHBondContact OG-N 3.27Å; E595-I597 PolarHBondContact O-N 3.25Å; E595-L598 PolarHBondContact O-N 3.5Å; E595-T599 WeakPolarHBondContact O-CB 3.27Å; E595-T599 PolarHBondContact O-N 3.44Å; E595-T599 PolarHBondContact OE2-OG1 3.26Å; E595-G600 PolarHBondContact O-N 3.19Å; E595-Y611 HydrophobicContact CB-CD1 3.51Å; E595-Y611 HydrophobicContact CB-CE1 3.65Å; E595-Y611 HydrophobicContact CB-CG 4Å
596	F	96.2	Very high	91.5	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-54.6	-40	169.8	179.9	-90.5	0	0	0	111.8	F520 F525 V570 I572 H592 S593 A594 G600 L606 D607 F608 Y611	F520-F596 HydrophobicContact CE1-CE1 4.42Å; F525-F596 AromaticContact CE1-CD1 3.89Å; F525-F596 HydrophobicContact CE1-CD1 3.89Å; F525-F596 AromaticContact CE1-CE1 3.71Å; F525-F596 HydrophobicContact CE1-CE1 3.71Å; F525-F596 HydrophobicContact CZ-CD1 4.37Å; F525-F596 AromaticContact CZ-CE1 3.89Å; F525-F596 HydrophobicContact CZ-CE1 3.89Å; V570-F596 HydrophobicContact CG1-CD1 4.32Å; V570-F596 HydrophobicContact CG1-CE1 4.12Å; I572-F596 HydrophobicContact CD1-CB 4.15Å; I572-F596 HydrophobicContact CD1-CD1 4.04Å; I572-F596 HydrophobicContact CD1-CG 4.4Å; H592-F596 HydrophobicContact CB-CB 3.71Å; H592-F596 HydrophobicContact CB-CD2 4.27Å; H592-F596 HydrophobicContact CB-CG 4.06Å; H592-F596 AromaticContact CG-CD2 3.85Å; H592-F596 AromaticContact ND1-CD2 3.83Å; S593-F596 WeakPolarHBondContact O-CB 3.43Å; S593-F596 PolarHBondContact O-N 3.1Å; S593-F596 VanDerWaalsContact O-N 3.14Å; A594-F596 PolarHBondContact O-N 3.38Å; F596-G600 WeakPolarHBondContact O-CA 3.2Å; F596-G600 PolarHBondContact O-N 2.85Å; F596-L606 HydrophobicContact CE1-CD2 4.37Å; F596-L606 HydrophobicContact CZ-CD2 4.11Å; F596-D607 VanDerWaalsContact CD2-O 3.23Å; F596-D607 WeakPolarHBondContact CD2-O 3.25Å; F596-D607 WeakPolarHBondContact CE2-O 3.34Å; F596-F608 AromaticContact CE2-CD1 3.84Å; F596-F608 HydrophobicContact CE2-CD1 3.84Å; F596-F608 HydrophobicContact CE2-CD2 4.44Å; F596-F608 AromaticContact CE2-CE1 3.92Å; F596-F608 HydrophobicContact CE2-CE1 3.92Å; F596-F608 HydrophobicContact CE2-CG 4.11Å; F596-F608 HydrophobicContact CE2-CZ 4.26Å; F596-F608 HydrophobicContact CZ-CD1 4.06Å; F596-F608 AromaticContact CZ-CE1 3.64Å; F596-F608 HydrophobicContact CZ-CE1 3.64Å; F596-F608 HydrophobicContact CZ-CE2 4.33Å; F596-F608 AromaticContact CZ-CZ 3.79Å; F596-F608 HydrophobicContact CZ-CZ 3.79Å; F596-Y611 HydrophobicContact CB-CD2 4.38Å
597	I	97.4	Very high	92.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-79.6	-55.2	176.1	-66.1	168.7	0	0	0	110.1	F520 F525 L527 L538 I541 V542 I572 A594 E595 I601	F520-I597 HydrophobicContact CE2-CG2 4.05Å; F520-I597 HydrophobicContact CZ-CB 4.31Å; F520-I597 HydrophobicContact CZ-CG1 4.25Å; F520-I597 HydrophobicContact CZ-CG2 4.08Å; F525-I597 HydrophobicContact CD1-CD1 4.27Å; F525-I597 HydrophobicContact CE1-CD1 4.23Å; F525-I597 HydrophobicContact CE1-CG1 3.99Å; F525-I597 HydrophobicContact CZ-CG1 4.4Å; L527-I597 HydrophobicContact CD2-CD1 4.25Å; L538-I597 HydrophobicContact CD2-CD1 4.35Å; L538-I597 HydrophobicContact CD2-CG2 4.31Å; I541-I597 HydrophobicContact CG2-CG2 4.05Å; V542-I597 HydrophobicContact CG2-CD1 3.51Å; V542-I597 HydrophobicContact CG2-CG1 4.09Å; V542-I597 HydrophobicContact CG2-CG2 4.12Å; I572-I597 HydrophobicContact CD1-CD1 4.16Å; I572-I597 HydrophobicContact CD1-CG1 4.22Å; I572-I597 HydrophobicContact CG1-CD1 3.69Å; I572-I597 HydrophobicContact CG1-CG1 4.3Å; A594-I597 PolarHBondContact O-N 3.48Å; E595-I597 PolarHBondContact O-N 3.25Å; I597-I601 HydrophobicContact CG2-CD1 3.92Å; I597-I601 WeakPolarHBondContact O-CB 3.38Å; I597-I601 VanDerWaalsContact O-CG1 3.31Å; I597-I601 WeakPolarHBondContact O-CG1 3.43Å; I597-I601 PolarHBondContact O-N 3.43Å
598	L	96.4	Very high	93.1	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.037	13%	0.134	C	C	.	.	H	α-helix	trans	-67.8	-51.8	-166.7	-58.3	176.3	0	0	0	112.2	L462 P533 L538 I541 A594 E595 L602	L462-L598 HydrophobicContact CD1-CD2 3.58Å; L462-L598 WeakPolarHBondContact CD2-O 3.2Å; P533-L598 HydrophobicContact CG-CD1 4.45Å; P533-L598 HydrophobicContact CG-CD2 4.49Å; L538-L598 HydrophobicContact CD2-CD2 3.91Å; L538-L598 HydrophobicContact CD2-CG 4.5Å; I541-L598 HydrophobicContact CD1-CD2 4.47Å; A594-L598 HydrophobicContact CB-CD1 4.45Å; A594-L598 WeakPolarHBondContact O-CG 3.5Å; A594-L598 PolarHBondContact O-N 2.86Å; E595-L598 PolarHBondContact O-N 3.5Å; L598-L602 WeakPolarHBondContact O-CG 3.22Å; L598-L602 PolarHBondContact O-N 2.88Å
599	T	93.7	Very high	93.6	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-76.9	-30.5	178.4	-64.9	0	0	0	0	111	E595 L602 R603 Y611	E595-T599 WeakPolarHBondContact O-CB 3.27Å; E595-T599 PolarHBondContact O-N 3.44Å; E595-T599 PolarHBondContact OE2-OG1 3.26Å; T599-L602 PolarHBondContact O-N 3.4Å; T599-R603 HydrophobicContact CG2-CG 4.34Å; T599-R603 WeakPolarHBondContact O-CG 3.3Å; T599-R603 PolarHBondContact O-N 2.98Å; T599-R603 VanDerWaalsContact O-N 3.08Å; T599-Y611 WeakPolarHBondContact CG2-OH 3.38Å
600	G	96.2	Very high	93.7	Very high	4 Å²	4	30.2 Å²	30.2	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-49.4	-60.9	167.3	0	0	0	0	0	110.8	M519 E595 F596 L602 R603 Q604 E605	M519-G600 WeakPolarHBondContact CE-O 3.32Å; E595-G600 PolarHBondContact O-N 3.19Å; F596-G600 WeakPolarHBondContact O-CA 3.2Å; F596-G600 PolarHBondContact O-N 2.85Å; G600-L602 VanDerWaalsContact C-N 3.32Å; G600-L602 PolarHBondContact O-N 3.2Å; G600-R603 CarbonylContact O-C 3.58Å; G600-R603 PolarHBondContact O-N 2.97Å; G600-Q604 PolarHBondContact O-N 3Å; G600-E605 WeakPolarHBondContact CA-O 3.29Å; G600-E605 PolarHBondContact O-N 3.44Å
601	I	97.4	Very high	93.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-55.1	-43.8	-179.2	-72.9	169.9	0	0	0	112.5	L462 I465 A466 M519 F520 I541 A545 I597 R603 Q604	L462-I601 HydrophobicContact CB-CG2 4.15Å; L462-I601 HydrophobicContact CD2-CB 4.15Å; L462-I601 HydrophobicContact CD2-CG2 3.9Å; L462-I601 VanDerWaalsContact O-CG2 3.25Å; L462-I601 WeakPolarHBondContact O-CG2 3.38Å; I465-I601 HydrophobicContact CB-CG2 4.49Å; I465-I601 HydrophobicContact CG2-CG2 4.39Å; I465-I601 WeakPolarHBondContact CG2-O 3.21Å; A466-I601 HydrophobicContact CB-CG2 4.13Å; M519-I601 HydrophobicContact SD-CB 4.39Å; M519-I601 HydrophobicContact SD-CG1 3.7Å; F520-I601 HydrophobicContact CE2-CD1 3.96Å; F520-I601 HydrophobicContact CE2-CG1 4.02Å; F520-I601 HydrophobicContact CZ-CD1 4.36Å; F520-I601 HydrophobicContact CZ-CG1 4.04Å; I541-I601 HydrophobicContact CG2-CD1 3.19Å; A545-I601 HydrophobicContact CB-CD1 4.18Å; A545-I601 HydrophobicContact CB-CG1 4.3Å; I597-I601 HydrophobicContact CG2-CD1 3.92Å; I597-I601 WeakPolarHBondContact O-CB 3.38Å; I597-I601 VanDerWaalsContact O-CG1 3.31Å; I597-I601 WeakPolarHBondContact O-CG1 3.43Å; I597-I601 PolarHBondContact O-N 3.43Å; I601-R603 VanDerWaalsContact C-N 3.26Å; I601-R603 PolarHBondContact O-N 2.98Å; I601-Q604 PolarHBondContact O-N 3.44Å; I601-Q604 PolarHBondContact O-NE2 3.2Å
602	L	96.1	Very high	93.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-39.4	177.8	-70.5	179.2	0	0	0	111.9	R457 L461 L462 I465 F503 F505 S510 L598 T599 G600	R457-L602 HydrophobicContact CG-CD1 4.36Å; L461-L602 HydrophobicContact CD2-CD2 4.45Å; L462-L602 HydrophobicContact CD2-CD2 3.79Å; L462-L602 HydrophobicContact CD2-CG 3.82Å; I465-L602 HydrophobicContact CD1-CD2 3.65Å; F503-L602 HydrophobicContact CB-CD1 3.87Å; F503-L602 HydrophobicContact CD1-CD1 3.97Å; F503-L602 HydrophobicContact CD2-CD1 3.98Å; F503-L602 HydrophobicContact CG-CD1 3.66Å; F505-L602 HydrophobicContact CB-CB 4.45Å; F505-L602 WeakPolarHBondContact CB-O 3.41Å; F505-L602 HydrophobicContact CD1-CB 4.26Å; F505-L602 HydrophobicContact CD2-CB 4.25Å; F505-L602 WeakPolarHBondContact CD2-O 3.33Å; F505-L602 HydrophobicContact CE1-CD1 4.41Å; F505-L602 HydrophobicContact CE2-CD2 4.3Å; F505-L602 HydrophobicContact CG-CB 4.07Å; F505-L602 WeakPolarHBondContact CG-O 3.37Å; F505-L602 HydrophobicContact CZ-CD2 4.21Å; S510-L602 VanDerWaalsContact CB-O 3.22Å; S510-L602 WeakPolarHBondContact CB-O 3.37Å; S510-L602 PolarHBondContact OG-O 3.4Å; L598-L602 WeakPolarHBondContact O-CG 3.22Å; L598-L602 PolarHBondContact O-N 2.88Å; T599-L602 PolarHBondContact O-N 3.4Å; G600-L602 VanDerWaalsContact C-N 3.32Å; G600-L602 PolarHBondContact O-N 3.2Å
603	R	95.2	Very high	93.2	Very high	57 Å²	57	37 Å²	37	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-85.7	-17.5	-179.8	-64.8	178.1	-177.3	172.6	2.5	114.1	F503 G504 F505 R513 T599 G600 I601 E605	F503-R603 PolarHBondContact O-NE 3.36Å; F503-R603 PolarHBondContact O-NH2 3.49Å; G504-R603 PolarHBondContact O-NE 3.41Å; F505-R603 HydrophobicContact CB-CB 4.46Å; F505-R603 HydrophobicContact CB-CG 3.84Å; R513-R603 PolarHBondContact NH1-O 2.84Å; T599-R603 HydrophobicContact CG2-CG 4.34Å; T599-R603 WeakPolarHBondContact O-CG 3.3Å; T599-R603 PolarHBondContact O-N 2.98Å; T599-R603 VanDerWaalsContact O-N 3.08Å; G600-R603 CarbonylContact O-C 3.58Å; G600-R603 PolarHBondContact O-N 2.97Å; I601-R603 VanDerWaalsContact C-N 3.26Å; I601-R603 PolarHBondContact O-N 2.98Å; R603-E605 HydrophobicContact CB-CB 4.26Å; R603-E605 PolarHBondContact O-N 3.19Å
604	Q	96.4	Very high	92.5	Very high	20 Å²	20	42.3 Å²	42.3	9%	0.093	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	40.4	-165	-70.3	-64.3	-52.8	0	0	113.1	I465 S510 R513 A514 M519 G600 I601	I465-Q604 HydrophobicContact CG2-CG 4.24Å; S510-Q604 VanDerWaalsContact O-CG 3.24Å; S510-Q604 WeakPolarHBondContact O-CG 3.32Å; R513-Q604 HydrophobicContact CB-CB 3.55Å; R513-Q604 HydrophobicContact CB-CG 4.21Å; R513-Q604 HydrophobicContact CG-CB 4.41Å; A514-Q604 HydrophobicContact CB-CG 4.05Å; M519-Q604 HydrophobicContact CE-CB 4.48Å; G600-Q604 PolarHBondContact O-N 3Å; I601-Q604 PolarHBondContact O-N 3.44Å; I601-Q604 PolarHBondContact O-NE2 3.2Å
605	E	93.6	Very high	91.2	Very high	93 Å²	93	44.2 Å²	44.2	44%	0.435	21%	0.213	S	C	.	.			trans	-138	145.5	179.1	-70.3	177.3	-178.1	0	0	111.8	R513 G600 R603	R513-E605 IonicContact CZ-OE1 3.1Å; R513-E605 VanDerWaalsContact NH1-CD 3.29Å; R513-E605 IonicContact NH1-OE1 2.98Å; R513-E605 PolarHBondContact NH1-OE1 2.83Å; R513-E605 IonicContact NH2-OE1 2.73Å; R513-E605 PolarHBondContact NH2-OE1 3.24Å; G600-E605 WeakPolarHBondContact CA-O 3.29Å; G600-E605 PolarHBondContact O-N 3.44Å; R603-E605 HydrophobicContact CB-CB 4.26Å; R603-E605 PolarHBondContact O-N 3.19Å
606	L	92.9	Very high	89.4	Confident	68 Å²	68	50 Å²	50	36%	0.356	23%	0.234	S	C	.	.			trans	-97.6	111.6	176	-63.6	171.6	0	0	0	110.6	M519 F520 I523 F596 F608	M519-L606 HydrophobicContact CG-CD2 3.8Å; M519-L606 HydrophobicContact CG-CG 4.36Å; M519-L606 HydrophobicContact SD-CD2 4.4Å; F520-L606 HydrophobicContact CD1-CD2 3.68Å; F520-L606 HydrophobicContact CE1-CD2 3.59Å; I523-L606 HydrophobicContact CD1-CD1 3.45Å; I523-L606 VanDerWaalsContact CD1-CD1 3.45Å; I523-L606 HydrophobicContact CD1-CD2 3.96Å; I523-L606 HydrophobicContact CD1-CG 4.37Å; F596-L606 HydrophobicContact CE1-CD2 4.37Å; F596-L606 HydrophobicContact CZ-CD2 4.11Å; L606-F608 HydrophobicContact CB-CD2 4.28Å; L606-F608 HydrophobicContact CB-CE2 3.68Å; L606-F608 HydrophobicContact CB-CZ 4.42Å; L606-F608 HydrophobicContact CD1-CE2 4.23Å; L606-F608 HydrophobicContact CD1-CZ 4.49Å
607	D	91.3	Very high	86.9	Confident	43 Å²	43	55.7 Å²	55.7	23%	0.23	27%	0.273	C	S	.	.			trans	-108.8	97.2	179.9	-172.7	-16.9	0	0	0	111.4	F596 Q609 S610 Y611	F596-D607 VanDerWaalsContact CD2-O 3.23Å; F596-D607 WeakPolarHBondContact CD2-O 3.25Å; F596-D607 WeakPolarHBondContact CE2-O 3.34Å; D607-Q609 PolarHBondContact O-N 3.15Å; D607-Q609 PolarHBondContact OD1-N 3.49Å; D607-S610 VanDerWaalsContact CG-OG 3.31Å; D607-S610 PolarHBondContact OD1-N 3.45Å; D607-S610 PolarHBondContact OD1-OG 3.25Å; D607-S610 WeakPolarHBondContact OD2-CB 3.48Å; D607-S610 PolarHBondContact OD2-OG 3.26Å; D607-Y611 HydrophobicContact CB-CD2 4.48Å; D607-Y611 HydrophobicContact CB-CE2 4.35Å
608	F	91.2	Very high	84.3	Confident	38 Å²	38	61.1 Å²	61.1	17%	0.167	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	5.3	179.3	-68.1	-87.7	0	0	0	113.9	R568 V570 D590 H592 F596 L606	R568-F608 VanDerWaalsContact CZ-CE1 3.49Å; R568-F608 VanDerWaalsContact CZ-CZ 3.43Å; R568-F608 VanDerWaalsContact NH1-CZ 3.3Å; V570-F608 HydrophobicContact CG2-CE1 3.98Å; D590-F608 HydrophobicContact CB-CD1 4.4Å; H592-F608 PolarHBondContact CE1-O 3.43Å; H592-F608 AromaticContact NE2-CD1 3.99Å; F596-F608 AromaticContact CE2-CD1 3.84Å; F596-F608 HydrophobicContact CE2-CD1 3.84Å; F596-F608 HydrophobicContact CE2-CD2 4.44Å; F596-F608 AromaticContact CE2-CE1 3.92Å; F596-F608 HydrophobicContact CE2-CE1 3.92Å; F596-F608 HydrophobicContact CE2-CG 4.11Å; F596-F608 HydrophobicContact CE2-CZ 4.26Å; F596-F608 HydrophobicContact CZ-CD1 4.06Å; F596-F608 AromaticContact CZ-CE1 3.64Å; F596-F608 HydrophobicContact CZ-CE1 3.64Å; F596-F608 HydrophobicContact CZ-CE2 4.33Å; F596-F608 AromaticContact CZ-CZ 3.79Å; F596-F608 HydrophobicContact CZ-CZ 3.79Å; L606-F608 HydrophobicContact CB-CD2 4.28Å; L606-F608 HydrophobicContact CB-CE2 3.68Å; L606-F608 HydrophobicContact CB-CZ 4.42Å; L606-F608 HydrophobicContact CD1-CE2 4.23Å; L606-F608 HydrophobicContact CD1-CZ 4.49Å
609	Q	89.1	Confident	81.2	Confident	157 Å²	157	69 Å²	69	73%	0.734	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-53.5	-178.8	-62.8	-178.1	11.8	0	0	111	D607 Y611 R612	D607-Q609 PolarHBondContact O-N 3.15Å; D607-Q609 PolarHBondContact OD1-N 3.49Å; Q609-Y611 VanDerWaalsContact C-N 3.26Å; Q609-Y611 PolarHBondContact O-N 3.49Å; Q609-Y611 VanDerWaalsContact O-N 3.13Å; Q609-R612 PolarHBondContact O-N 3.03Å
610	S	87	Confident	78.2	Confident	44 Å²	44	76.3 Å²	76.3	31%	0.308	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.2	-167.4	-62.4	0	0	0	0	115	D607	D607-S610 VanDerWaalsContact CG-OG 3.31Å; D607-S610 PolarHBondContact OD1-N 3.45Å; D607-S610 PolarHBondContact OD1-OG 3.25Å; D607-S610 WeakPolarHBondContact OD2-CB 3.48Å; D607-S610 PolarHBondContact OD2-OG 3.26Å
611	Y	89.7	Confident	75	Confident	27 Å²	27	83.7 Å²	83.7	11%	0.106	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	11.9	-174.2	-51.9	-62.4	0	0	0	113.6	H592 S593 E595 F596 T599 D607 Q609	H592-Y611 CarbonylContact C-O 3.59Å; H592-Y611 WeakPolarHBondContact CA-O 3.38Å; H592-Y611 WeakPolarHBondContact CB-O 3.15Å; H592-Y611 PolarHBondContact ND1-O 2.94Å; S593-Y611 PolarHBondContact N-O 3.19Å; E595-Y611 HydrophobicContact CB-CD1 3.51Å; E595-Y611 HydrophobicContact CB-CE1 3.65Å; E595-Y611 HydrophobicContact CB-CG 4Å; F596-Y611 HydrophobicContact CB-CD2 4.38Å; T599-Y611 WeakPolarHBondContact CG2-OH 3.38Å; D607-Y611 HydrophobicContact CB-CD2 4.48Å; D607-Y611 HydrophobicContact CB-CE2 4.35Å; Q609-Y611 VanDerWaalsContact C-N 3.26Å; Q609-Y611 PolarHBondContact O-N 3.49Å; Q609-Y611 VanDerWaalsContact O-N 3.13Å
612	R	89.4	Confident	71.8	Confident	102 Å²	102	92.2 Å²	92.2	39%	0.385	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-68.5	137.1	178.4	-170	173.8	-179.2	155.7	0.6	110.2	V591 H592 Q609	V591-R612 WeakPolarHBondContact O-CA 3.41Å; H592-R612 WeakPolarHBondContact ND1-CA 3.47Å; H592-R612 PolarHBondContact ND1-N 3.02Å; Q609-R612 PolarHBondContact O-N 3.03Å
613	L	85.1	Confident	68.6	Low	39 Å²	39	96.3 Å²	96.3	20%	0.204	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-103.7	121.9	177.4	-62.9	175.8	0	0	0	109.7	T573 F578 V591	T573-L613 HydrophobicContact CG2-CD1 3.53Å; F578-L613 HydrophobicContact CD2-CB 4.04Å; F578-L613 HydrophobicContact CD2-CD1 4.34Å; F578-L613 HydrophobicContact CE2-CB 3.65Å; V591-L613 HydrophobicContact CG1-CB 4.46Å; V591-L613 PolarHBondContact O-N 2.69Å
614	E	78.8	Confident	65.5	Low	141 Å²	141	100 Å²	100	66%	0.659	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-103.6	151.7	178.6	-66.1	-172.3	171.7	0	0	111.7	F578 R616	F578-E614 WeakPolarHBondContact CZ-O 3.24Å; E614-R616 PolarHBondContact O-N 3.16Å
615	P	67.5	Low	62.2	Low	49 Å²	49	108.6 Å²	108.6	32%	0.318	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-66.2	120.1	172.8	-7.5	26.5	0	0	0	107	F578 V585 S617	F578-P615 HydrophobicContact CE1-CB 4.2Å; F578-P615 HydrophobicContact CZ-CB 4.35Å; F578-P615 HydrophobicContact CZ-CG 4.37Å; V585-P615 HydrophobicContact CB-CG 4.14Å; V585-P615 HydrophobicContact CG1-CG 3.79Å; P615-S617 PolarHBondContact O-N 3.28Å
616	R	57.4	Low	59.1	Low	156 Å²	156	109.8 Å²	109.8	59%	0.589	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-56.8	117.9	171.1	-66.1	-173.5	-175.2	179.6	3.3	107.1	E614 F618	E614-R616 PolarHBondContact O-N 3.16Å; R616-F618 WeakPolarHBondContact O-CD2 3.4Å; R616-F618 WeakPolarHBondContact O-CE2 3.4Å; R616-F618 PolarHBondContact O-N 2.86Å
617	S	43.5	Very low	56	Low	120 Å²	120	115.4 Å²	115.4	84%	0.839	58%	0.579	S	S	*	*			trans	-55.8	100.6	174.6	46.1	0	0	0	0	108	P615 E619	P615-S617 PolarHBondContact O-N 3.28Å; S617-E619 PolarHBondContact O-N 2.91Å
618	F	42.7	Very low	52.7	Low	114 Å²	114	122.6 Å²	122.6	50%	0.5	61%	0.612	S	S	.	*			trans	-71.9	114.5	169.3	-68.6	-81.8	0	0	0	105.2	R616 L620	R616-F618 WeakPolarHBondContact O-CD2 3.4Å; R616-F618 WeakPolarHBondContact O-CE2 3.4Å; R616-F618 PolarHBondContact O-N 2.86Å; F618-L620 PolarHBondContact O-N 2.97Å
619	E	30.5	Very low	49.8	Very low	173 Å²	173	126.5 Å²	126.5	81%	0.808	64%	0.64	S	S	*	*			trans	-51.5	101.6	162.5	-76.7	177.8	164.6	0	0	106.5	S617 I621	S617-E619 PolarHBondContact O-N 2.91Å; E619-I621 PolarHBondContact O-N 2.96Å
620	L	31	Very low	46.7	Very low	158 Å²	158	122.2 Å²	122.2	83%	0.827	64%	0.638	S	S	*	*			trans	-58.9	96.5	163.4	-80	149.3	0	0	0	103.8	F618 K622	F618-L620 PolarHBondContact O-N 2.97Å; L620-K622 PolarHBondContact O-N 3.46Å
621	I	30.1	Very low	43.9	Very low	159 Å²	159	127.2 Å²	127.2	82%	0.815	67%	0.667	S	S	*	*			trans	-55.6	95.4	160.1	-60.6	173.2	0	0	0	103.1	E619 A623	E619-I621 PolarHBondContact O-N 2.96Å; I621-A623 VanDerWaalsContact C-N 3.32Å; I621-A623 PolarHBondContact O-N 3.06Å
622	K	28.8	Very low	40.8	Very low	178 Å²	178	131.1 Å²	131.1	77%	0.774	70%	0.698	S	S	*	*			trans	-53.7	107.4	173	-81.1	-178.7	175.1	179.3	0	104.2	L620 N624	L620-K622 PolarHBondContact O-N 3.46Å; K622-N624 PolarHBondContact O-N 3.24Å
623	A	29.3	Very low	38.1	Very low	87 Å²	87	134.2 Å²	134.2	72%	0.719	72%	0.721	S	S	*	*			trans	-60.8	92.2	167.1	0	0	0	0	0	105.2	I621 K625	I621-A623 VanDerWaalsContact C-N 3.32Å; I621-A623 PolarHBondContact O-N 3.06Å; A623-K625 PolarHBondContact O-N 3.39Å
624	N	30.4	Very low	35.3	Very low	134 Å²	134	141.5 Å²	141.5	72%	0.717	75%	0.751	S	S	*	*			trans	-64.6	84.4	166.1	-80.6	-7.5	0	0	0	106.2	K622 T626	K622-N624 PolarHBondContact O-N 3.24Å; N624-T626 PolarHBondContact O-N 3.44Å
625	K	27.2	Very low	33.3	Very low	201 Å²	201	140.6 Å²	140.6	87%	0.874	76%	0.757	S	S	*	*			trans	-63.7	91.1	151.8	-74.6	-175.9	173.1	-174.3	0	105.5	A623	A623-K625 PolarHBondContact O-N 3.39Å
626	T	28.7	Very low	31.6	Very low	118 Å²	118	148.1 Å²	148.1	72%	0.724	79%	0.785	S	S	*	*			trans	-115	109.2	163	-6.2	0	0	0	0	105.4	N624	N624-T626 PolarHBondContact O-N 3.44Å
627	E	26.5	Very low	30.2	Very low	185 Å²	185	147.4 Å²	147.4	86%	0.864	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-52.7	134.3	177.7	-67.6	163	154.5	0	0	109.9	P629	E627-P629 WeakPolarHBondContact O-CD 3.46Å
628	Q	22.5	Very low	29.6	Very low	195 Å²	195	149 Å²	149	91%	0.911	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-94.4	116.9	169	-68.6	-178.8	3.6	0	0	108.4
629	P	31.2	Very low	29	Very low	119 Å²	119	152.2 Å²	152.2	77%	0.773	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-97	131.1	143.8	21.8	-7.3	0	0	0	108.3	E627	E627-P629 WeakPolarHBondContact O-CD 3.46Å
630	G	24.1	Very low	28.8	Very low	67 Å²	67	153.6 Å²	153.6	69%	0.691	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-59.7	157.7	-173.2	0	0	0	0	0	114.2
631	T	28.1	Very low	28.6	Very low	149 Å²	149	153.2 Å²	153.2	91%	0.914	81%	0.81	S	S	*	*				-168.2	133.3	127.5	19.8	0	0	0	0	108.9
632	S	24.7	Very low	28.5	Very low	109 Å²	109	153.1 Å²	153.1	76%	0.762	81%	0.811	S	S	*	*			trans	-57.3	141.5	172.6	-173.8	0	0	0	0	111.3
633	I	31.9	Very low	28.4	Very low	167 Å²	167	151.8 Å²	151.8	86%	0.856	81%	0.812	S	S	*	*			trans	-173.3	117.3	132.6	-85.8	144.9	0	0	0	109.8
634	K	26.4	Very low	28.4	Very low	192 Å²	192	158.4 Å²	158.4	84%	0.835	82%	0.818	S	S	*	*			trans	11.5	150.9	156.6	-71.2	-179.5	177.8	179.3	0	123.5
635	P	37.6	Very low	28.4	Very low	122 Å²	122	157.9 Å²	157.9	79%	0.792	82%	0.822	S	S	*	*			trans	-89.7	140.4	-163.4	36.6	-31.7	0	0	0	113
636	K	30.4	Very low	28.5	Very low	207 Å²	207	156.3 Å²	156.3	90%	0.9	82%	0.822	S	S	*	*			trans	-123.4	104.5	166.8	-89.4	-175.4	173.8	179.4	0	110.7
637	N	28.4	Very low	28.7	Very low	142 Å²	142	159.5 Å²	159.5	76%	0.759	83%	0.829	S	S	*	*			trans	30.6	112.7	137.7	-129.4	14.8	0	0	0	119.9	Q639	N637-Q639 PolarHBondContact O-N 3.35Å
638	D	30.3	Very low	28.9	Very low	153 Å²	153	156.1 Å²	156.1	82%	0.818	82%	0.821	S	S	*	*			trans	32.2	85.3	134.7	-68.3	-9.4	0	0	0	118.3
639	Q	30.9	Very low	29.5	Very low	181 Å²	181	152.2 Å²	152.2	85%	0.846	81%	0.813	S	S	*	*			trans	-119.4	112.8	149.6	-75	-174.1	1.6	0	0	109.6	N637 L641	N637-Q639 PolarHBondContact O-N 3.35Å; Q639-L641 PolarHBondContact O-N 3.16Å
640	K	26.5	Very low	29.8	Very low	203 Å²	203	152.9 Å²	152.9	88%	0.883	82%	0.815	S	S	*	*			trans	-49.2	104.6	173.9	-76.1	171.1	173.3	173.1	0	110.2	N642	K640-N642 PolarHBondContact O-N 3.21Å; K640-N642 VanDerWaalsContact O-N 3.07Å
641	L	27.1	Very low	30.6	Very low	150 Å²	150	156.2 Å²	156.2	79%	0.785	82%	0.815	S	S	*	*			trans	-66.1	105.8	170.1	-112.5	95.8	0	0	0	108.9	Q639 L643	Q639-L641 PolarHBondContact O-N 3.16Å; L641-L643 VanDerWaalsContact C-N 3.32Å; L641-L643 PolarHBondContact O-N 3.5Å
642	N	27.9	Very low	31.1	Very low	156 Å²	156	154.7 Å²	154.7	83%	0.834	81%	0.808	S	S	*	*			trans	-66.2	91.2	165.5	-82	-36.9	0	0	0	109	K640 R644	K640-N642 PolarHBondContact O-N 3.21Å; K640-N642 VanDerWaalsContact O-N 3.07Å; N642-R644 PolarHBondContact O-N 2.98Å
643	L	27.3	Very low	32.2	Very low	151 Å²	151	152.6 Å²	152.6	79%	0.791	80%	0.797	S	S	*	*			trans	-66.5	98.8	171.7	-70	164.6	0	0	0	108.9	L641	L641-L643 VanDerWaalsContact C-N 3.32Å; L641-L643 PolarHBondContact O-N 3.5Å
644	R	28	Very low	33	Very low	226 Å²	226	149.3 Å²	149.3	85%	0.853	79%	0.785	S	S	*	*			trans	-64.1	136.4	163.7	-71.7	-173.2	-177.3	-171	1.4	108.3	N642 L646	N642-R644 PolarHBondContact O-N 2.98Å; R644-L646 PolarHBondContact O-N 3.14Å
645	P	31.7	Very low	33.9	Very low	123 Å²	123	149.8 Å²	149.8	80%	0.799	78%	0.781	S	S	*	*			trans	-61.8	126	-176.1	-17.1	29.4	0	0	0	110.2	E647	P645-E647 PolarHBondContact O-N 3.45Å; P645-E647 VanDerWaalsContact O-N 3.14Å
646	L	28.8	Very low	34.3	Very low	167 Å²	167	145.9 Å²	145.9	87%	0.874	75%	0.754	S	S	*	*			trans	-60.5	114.7	170.1	-84	116.1	0	0	0	109	R644 T648	R644-L646 PolarHBondContact O-N 3.14Å; L646-T648 PolarHBondContact O-N 2.71Å; L646-T648 VanDerWaalsContact O-N 3.14Å
647	E	32	Very low	35.2	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	75%	0.754	S	S	*	*			trans	-61	113.5	170.2	-69.8	179.9	166.7	0	0	108.9	P645 P649	P645-E647 PolarHBondContact O-N 3.45Å; P645-E647 VanDerWaalsContact O-N 3.14Å; E647-P649 WeakPolarHBondContact O-CD 3.37Å
648	T	32.1	Very low	36.3	Very low	115 Å²	115	143.2 Å²	143.2	71%	0.706	74%	0.735	S	S	*	*			trans	-58.1	122.9	176.1	9.1	0	0	0	0	109.9	L646 T650	L646-T648 PolarHBondContact O-N 2.71Å; L646-T648 VanDerWaalsContact O-N 3.14Å; T648-T650 PolarHBondContact O-N 3.31Å
649	P	34.2	Very low	37.6	Very low	113 Å²	113	146.4 Å²	146.4	73%	0.734	74%	0.742	S	S	*	*			trans	-67.1	110.3	178.7	24.5	-30.4	0	0	0	109.4	E647 I651	E647-P649 WeakPolarHBondContact O-CD 3.37Å; P649-I651 PolarHBondContact O-N 2.85Å
650	T	36.7	Very low	38.9	Very low	132 Å²	132	141.6 Å²	141.6	81%	0.81	73%	0.725	S	S	*	*			trans	-65.8	109.5	172.4	40.1	0	0	0	0	109.2	T648	T648-T650 PolarHBondContact O-N 3.31Å
651	I	41.3	Very low	40.5	Very low	137 Å²	137	140.7 Å²	140.7	70%	0.703	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-56.1	129.8	170	-58.6	170.2	0	0	0	107.8	P649 A653	P649-I651 PolarHBondContact O-N 2.85Å; I651-A653 PolarHBondContact O-N 3.36Å; I651-A653 VanDerWaalsContact O-N 3.13Å
652	P	39.9	Very low	41.6	Very low	117 Å²	117	139.5 Å²	139.5	76%	0.76	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-63.9	120.5	-174.9	-14.4	27.1	0	0	0	109.8	V654	P652-V654 PolarHBondContact O-N 3.07Å
653	A	47.9	Very low	43.1	Very low	65 Å²	65	134.8 Å²	134.8	54%	0.537	71%	0.712	S	S	.	*	P	Polyproline II helix	trans	-62.4	125.2	174.1	0	0	0	0	0	110.2	I651 R655 V665	I651-A653 PolarHBondContact O-N 3.36Å; I651-A653 VanDerWaalsContact O-N 3.13Å; A653-R655 PolarHBondContact O-N 3.48Å; A653-V665 HydrophobicContact CB-CG1 3.65Å; A653-V665 HydrophobicContact CB-CG2 4.21Å
654	V	46.9	Very low	44.5	Very low	98 Å²	98	131.5 Å²	131.5	59%	0.594	70%	0.698	S	S	*	*			trans	-67.2	100.8	170.3	-179.4	0	0	0	0	107.8	P652 L656	P652-V654 PolarHBondContact O-N 3.07Å; V654-L656 PolarHBondContact O-N 3.48Å
655	R	45.8	Very low	46.3	Very low	202 Å²	202	123.3 Å²	123.3	76%	0.762	67%	0.672	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.1	113.2	169.6	-91	-176.3	173.5	174.7	-1.9	108.2	A653 V665	A653-R655 PolarHBondContact O-N 3.48Å; R655-V665 HydrophobicContact CG-CG2 4.08Å
656	L	47.1	Very low	47.7	Very low	41 Å²	41	122.2 Å²	122.2	22%	0.215	66%	0.659	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.5	130.6	166.8	-67.4	177.8	0	0	0	108.2	V654 S658 V664 I666	V654-L656 PolarHBondContact O-N 3.48Å; L656-S658 PolarHBondContact O-N 2.79Å; L656-S658 VanDerWaalsContact O-N 3.14Å; L656-V664 PolarHBondContact N-O 3.05Å; L656-I666 HydrophobicContact CD1-CD1 3.32Å; L656-I666 HydrophobicContact CD1-CG1 3.62Å
657	R	49.4	Very low	49.9	Very low	241 Å²	241	122.7 Å²	122.7	91%	0.909	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-64.8	117.2	174.4	-71.3	-170.9	-164	-154.5	5	108.6
658	S	51.5	Low	51.1	Low	51 Å²	51	121.9 Å²	121.9	36%	0.357	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-98.7	142.3	171.8	169.4	0	0	0	0	108.5	L656 T660 L662	L656-S658 PolarHBondContact O-N 2.79Å; L656-S658 VanDerWaalsContact O-N 3.14Å; S658-T660 WeakPolarHBondContact CB-O 3.38Å; S658-T660 PolarHBondContact O-N 3.23Å; S658-T660 PolarHBondContact OG-N 3.01Å; S658-T660 PolarHBondContact OG-O 3.3Å; S658-T660 PolarHBondContact OG-OG1 2.91Å; S658-L662 WeakPolarHBondContact CB-O 3.4Å; S658-L662 PolarHBondContact OG-O 3.15Å
659	K	57.7	Low	53	Low	221 Å²	221	123.1 Å²	123.1	96%	0.961	64%	0.635	S	S	*	*	S	Bend	trans	-77.1	2.4	168.5	-73.3	-171.8	178.4	-178.3	0	112.7
660	T	57.5	Low	54.6	Low	80 Å²	80	120.6 Å²	120.6	49%	0.491	63%	0.629	S	S	.	*	S	Bend	trans	-115.2	152.8	172.8	67.7	0	0	0	0	109.1	S658 L662	S658-T660 WeakPolarHBondContact CB-O 3.38Å; S658-T660 PolarHBondContact O-N 3.23Å; S658-T660 PolarHBondContact OG-N 3.01Å; S658-T660 PolarHBondContact OG-O 3.3Å; S658-T660 PolarHBondContact OG-OG1 2.91Å; T660-L662 PolarHBondContact O-N 3.13Å
661	D	58.9	Low	56.1	Low	183 Å²	183	118.6 Å²	118.6	98%	0.979	61%	0.613	S	S	*	*	S	Bend	trans	-60.6	-1.4	178.9	-68.1	-32.7	0	0	0	114.3	G663	D661-G663 PolarHBondContact O-N 3Å
662	L	50.2	Low	57.3	Low	126 Å²	126	116.9 Å²	116.9	66%	0.66	62%	0.619	S	S	*	*			trans	-82.6	106	170.6	-82	123.1	0	0	0	111.3	S658 T660 V664	S658-L662 WeakPolarHBondContact CB-O 3.4Å; S658-L662 PolarHBondContact OG-O 3.15Å; T660-L662 PolarHBondContact O-N 3.13Å; L662-V664 PolarHBondContact O-N 3.4Å
663	G	60.6	Low	58.3	Low	57 Å²	57	116.7 Å²	116.7	59%	0.588	62%	0.62	S	S	*	*			trans	-70.2	102.7	168.4	0	0	0	0	0	111.7	D661	D661-G663 PolarHBondContact O-N 3Å
664	V	56.6	Low	59.3	Low	82 Å²	82	120.6 Å²	120.6	50%	0.497	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.1	123.3	176	-177.6	0	0	0	0	110	L656 L662	L656-V664 PolarHBondContact N-O 3.05Å; L662-V664 PolarHBondContact O-N 3.4Å
665	V	65.5	Low	61	Low	53 Å²	53	123 Å²	123	32%	0.321	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.8	113.3	174.5	173.8	0	0	0	0	108.3	A653 R655 K667	A653-V665 HydrophobicContact CB-CG1 3.65Å; A653-V665 HydrophobicContact CB-CG2 4.21Å; R655-V665 HydrophobicContact CG-CG2 4.08Å; V665-K667 HydrophobicContact CG1-CG 4.48Å; V665-K667 PolarHBondContact O-N 3.48Å
666	I	62.3	Low	62.4	Low	100 Å²	100	120.5 Å²	120.5	51%	0.513	62%	0.616	S	S	.	*			trans	-74.3	111.2	173.1	-61.1	-173.8	0	0	0	108.2	L656	L656-I666 HydrophobicContact CD1-CD1 3.32Å; L656-I666 HydrophobicContact CD1-CG1 3.62Å
667	K	72.9	Confident	63.7	Low	177 Å²	177	122.3 Å²	122.3	77%	0.77	62%	0.62	S	S	*	*			trans	-78.4	-45.1	177.9	-68.8	-174	179	177.2	0	111.7	V665	V665-K667 HydrophobicContact CG1-CG 4.48Å; V665-K667 PolarHBondContact O-N 3.48Å
668	R	59	Low	65	Low	168 Å²	168	120.8 Å²	120.8	63%	0.634	62%	0.62	S	S	*	*			trans	-158.9	171.6	-177.1	-62.3	-169.4	179.4	170.5	3.1	112.2
669	W	72.1	Confident	66.2	Low	142 Å²	142	120 Å²	120	54%	0.538	61%	0.613	S	S	.	*			trans	-136.8	144.9	-176.8	63.7	-63.4	0	0	0	110.6	Q532 I671	Q532-W669 HydrophobicContact CB-CH2 4.5Å; W669-I671 HydrophobicContact CE3-CD1 3.92Å; W669-I671 HydrophobicContact CE3-CG1 3.77Å; W669-I671 HydrophobicContact CH2-CD1 3.67Å; W669-I671 HydrophobicContact CH2-CG1 4.42Å; W669-I671 HydrophobicContact CZ3-CD1 3.19Å; W669-I671 HydrophobicContact CZ3-CG1 3.58Å
670	G	66.2	Low	67.1	Low	60 Å²	60	117.5 Å²	117.5	62%	0.619	61%	0.605	S	S	*	*			trans	-124.5	150.6	175.7	0	0	0	0	0	111.5
671	I	68.1	Low	68	Low	90 Å²	90	117.1 Å²	117.1	46%	0.462	60%	0.598	S	S	.	*			trans	-125.5	130.5	-176.2	-52.6	174	0	0	0	109.1	Q532 W669	Q532-I671 HydrophobicContact CB-CD1 3.25Å; Q532-I671 HydrophobicContact CG-CD1 4.04Å; W669-I671 HydrophobicContact CE3-CD1 3.92Å; W669-I671 HydrophobicContact CE3-CG1 3.77Å; W669-I671 HydrophobicContact CH2-CD1 3.67Å; W669-I671 HydrophobicContact CH2-CG1 4.42Å; W669-I671 HydrophobicContact CZ3-CD1 3.19Å; W669-I671 HydrophobicContact CZ3-CG1 3.58Å
672	A	67	Low	69	Low	100 Å²	100	114.8 Å²	114.8	83%	0.826	58%	0.581	S	S	*	*			trans	-116.2	145.5	167.8	0	0	0	0	0	110.1
673	S	60.5	Low	70.9	Confident	113 Å²	113	112 Å²	112	79%	0.79	57%	0.569	S	S	*	*			trans	-144.1	134.5	-179.1	54.9	0	0	0	0	110.2
674	E	70.3	Confident	72.3	Confident	147 Å²	147	109.3 Å²	109.3	69%	0.687	54%	0.541	S	S	*	.			trans	-101.4	146.6	171.1	-170.7	-174	152.6	0	0	108.9	R676	E674-R676 IonicContact OE1-CZ 3.54Å; E674-R676 IonicContact OE1-NE 2.8Å; E674-R676 PolarHBondContact OE1-NE 3.31Å; E674-R676 IonicContact OE1-NH2 3.47Å; E674-R676 PolarHBondContact OE1-NH2 3.14Å; E674-R676 IonicContact OE2-NH2 3.27Å
675	W	81.7	Confident	73.7	Confident	148 Å²	148	107.1 Å²	107.1	56%	0.561	54%	0.535	S	S	*	.			trans	-130.7	155	174.5	68.2	-88.1	0	0	0	109.3	W677 E692	W675-W677 AromaticContact CH2-CE2 3.91Å; W675-W677 HydrophobicContact CH2-CZ2 4.14Å; W675-W677 AromaticContact CH2-NE1 3.65Å; W675-W677 AromaticContact CZ3-CD1 3.85Å; W675-W677 HydrophobicContact CZ3-CD2 4.05Å; W675-W677 AromaticContact CZ3-CE2 3.64Å; W675-W677 HydrophobicContact CZ3-CG 4.15Å; W675-W677 HydrophobicContact CZ3-CZ2 4.13Å; W675-W677 AromaticContact CZ3-NE1 3.51Å; W675-E692 WeakPolarHBondContact CZ3-OE2 3.37Å
676	R	75.9	Confident	75	Confident	150 Å²	150	107.3 Å²	107.3	57%	0.566	53%	0.534	S	S	*	.			trans	-141.7	149.5	176.6	-58.2	-175.6	-173.3	175.5	1	109.4	E674 E692	E674-R676 IonicContact OE1-CZ 3.54Å; E674-R676 IonicContact OE1-NE 2.8Å; E674-R676 PolarHBondContact OE1-NE 3.31Å; E674-R676 IonicContact OE1-NH2 3.47Å; E674-R676 PolarHBondContact OE1-NH2 3.14Å; E674-R676 IonicContact OE2-NH2 3.27Å; R676-E692 VanDerWaalsContact CA-OE1 3.26Å; R676-E692 WeakPolarHBondContact CA-OE1 3.38Å
677	W	74.8	Confident	76.3	Confident	80 Å²	80	103.9 Å²	103.9	30%	0.303	52%	0.518	S	S	.	.			trans	-63.5	140.9	168.5	-64.9	103.1	0	0	0	109.7	W675 T679 F691 E692 V707	W675-W677 AromaticContact CH2-CE2 3.91Å; W675-W677 HydrophobicContact CH2-CZ2 4.14Å; W675-W677 AromaticContact CH2-NE1 3.65Å; W675-W677 AromaticContact CZ3-CD1 3.85Å; W675-W677 HydrophobicContact CZ3-CD2 4.05Å; W675-W677 AromaticContact CZ3-CE2 3.64Å; W675-W677 HydrophobicContact CZ3-CG 4.15Å; W675-W677 HydrophobicContact CZ3-CZ2 4.13Å; W675-W677 AromaticContact CZ3-NE1 3.51Å; W677-T679 VanDerWaalsContact C-N 3.32Å; W677-T679 HydrophobicContact CB-CG2 3.86Å; W677-T679 PolarHBondContact O-N 2.73Å; W677-T679 VanDerWaalsContact O-N 3.08Å; W677-F691 HydrophobicContact CG-CB 4.35Å; W677-F691 PolarHBondContact NE1-O 3.43Å; W677-E692 VanDerWaalsContact CD1-CD 3.49Å; W677-E692 PolarHBondContact N-OE1 3.37Å; W677-E692 PolarHBondContact NE1-OE2 3.32Å; W677-V707 HydrophobicContact CB-CG2 4.47Å; W677-V707 HydrophobicContact CD2-CB 4.27Å; W677-V707 HydrophobicContact CD2-CG2 3.76Å; W677-V707 HydrophobicContact CE3-CG2 4.47Å; W677-V707 HydrophobicContact CG-CG2 3.71Å; W677-V707 HydrophobicContact CZ2-CG2 4.44Å
678	K	76.3	Confident	77.2	Confident	208 Å²	208	105.4 Å²	105.4	90%	0.904	52%	0.519	S	S	*	.			trans	-83.1	81	174.3	-171.1	-176.4	178.2	-173.9	0	108.5	W709	K678-W709 WeakPolarHBondContact O-CZ2 3.3Å
679	T	77	Confident	78.5	Confident	34 Å²	34	100.6 Å²	100.6	21%	0.209	51%	0.506	C	S	.	.			trans	-116	150.6	-179.6	54.1	0	0	0	0	110.7	W677 E681 F691 V707 W709	W677-T679 VanDerWaalsContact C-N 3.32Å; W677-T679 HydrophobicContact CB-CG2 3.86Å; W677-T679 PolarHBondContact O-N 2.73Å; W677-T679 VanDerWaalsContact O-N 3.08Å; T679-E681 WeakPolarHBondContact CB-O 3.48Å; T679-E681 PolarHBondContact OG1-O 2.81Å; T679-F691 HydrophobicContact CG2-CD2 3.94Å; T679-F691 HydrophobicContact CG2-CE2 4.13Å; T679-V707 HydrophobicContact CG2-CG1 4.41Å; T679-W709 HydrophobicContact CG2-CH2 4.04Å; T679-W709 HydrophobicContact CG2-CZ2 3.46Å; T679-W709 VanDerWaalsContact CG2-CZ2 3.46Å
680	E	75.8	Confident	79.3	Confident	169 Å²	169	95.7 Å²	95.7	79%	0.79	50%	0.496	S	S	*	.	S	Bend	trans	-74.9	-33	170.4	-68.1	-174.9	-179.9	0	0	111.2
681	E	77.3	Confident	80.2	Confident	72 Å²	72	93 Å²	93	34%	0.336	47%	0.467	S	S	.	.	S	Bend	trans	-97.9	142.2	175.3	-62.3	-175.5	-179.9	0	0	111	T679 F691 H714	T679-E681 WeakPolarHBondContact CB-O 3.48Å; T679-E681 PolarHBondContact OG1-O 2.81Å; E681-F691 HydrophobicContact CB-CE2 4.5Å; E681-F691 WeakPolarHBondContact O-CE2 3.39Å; E681-H714 IonicContact OE1-CD2 3.34Å
682	E	79.9	Confident	81	Confident	135 Å²	135	91.4 Å²	91.4	63%	0.631	46%	0.457	S	S	*	.	S	Bend	trans	-85.7	-17.8	-179.6	-62.2	-165.7	161.9	0	0	113.4	A690	E682-A690 WeakPolarHBondContact O-CA 3.45Å
683	V	89	Confident	81.8	Confident	67 Å²	67	89.1 Å²	89.1	41%	0.406	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-133.8	148.1	-172.9	-62	0	0	0	0	111.9	G685 L689	V683-G685 PolarHBondContact O-N 2.72Å; V683-L689 WeakPolarHBondContact CA-O 3.24Å
684	C	90.2	Very high	82.9	Confident	0 Å²	0	85.1 Å²	85.1	0%	0	41%	0.407	C	S	.	.			trans	-68.1	122.3	174.2	174.6	0	0	0	0	110.7	I686 R688 L689 F691 H717	C684-I686 PolarHBondContact O-N 3.49Å; C684-R688 WeakPolarHBondContact O-CA 3.43Å; C684-R688 PolarHBondContact O-N 3.45Å; C684-L689 PolarHBondContact N-O 3.25Å; C684-F691 HydrophobicContact CB-CD1 4.28Å; C684-F691 HydrophobicContact CB-CE1 3.72Å; C684-F691 HydrophobicContact CB-CZ 4.2Å; C684-H717 WeakPolarHBondContact CB-ND1 3.27Å
685	G	87	Confident	83.8	Confident	36 Å²	36	78.1 Å²	78.1	37%	0.371	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.9	179.9	0	0	0	0	0	115.9	V683	V683-G685 PolarHBondContact O-N 2.72Å
686	I	91.2	Very high	84	Confident	57 Å²	57	75.7 Å²	75.7	29%	0.292	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-55.3	179.9	-59.6	169.2	0	0	0	111.4	C684 Y716 C720 I721 W724 P735	C684-I686 PolarHBondContact O-N 3.49Å; I686-Y716 HydrophobicContact CD1-CD1 3.86Å; I686-Y716 HydrophobicContact CD1-CD2 4.45Å; I686-Y716 HydrophobicContact CD1-CE1 4.42Å; I686-Y716 HydrophobicContact CD1-CG 3.89Å; I686-Y716 HydrophobicContact CG1-CD1 3.81Å; I686-Y716 HydrophobicContact CG1-CE1 4.12Å; I686-Y716 HydrophobicContact CG1-CG 4.36Å; I686-C720 HydrophobicContact CB-CB 3.83Å; I686-C720 HydrophobicContact CD1-CB 3.78Å; I686-C720 HydrophobicContact CG1-CB 4.39Å; I686-C720 HydrophobicContact CG2-CB 3.83Å; I686-I721 HydrophobicContact CD1-CB 4.34Å; I686-I721 HydrophobicContact CD1-CD1 4.3Å; I686-W724 HydrophobicContact CD1-CB 4.16Å; I686-P735 HydrophobicContact CD1-CG 3.92Å; I686-P735 HydrophobicContact CG1-CG 4Å
687	C	91.2	Very high	84.3	Confident	28 Å²	28	73.2 Å²	73.2	19%	0.189	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-7.8	-176.5	71.4	0	0	0	0	114.3	L689 P696 H717	C687-L689 PolarHBondContact O-N 3.05Å; C687-L689 VanDerWaalsContact O-N 3.15Å; C687-P696 HydrophobicContact CB-CG 4.1Å; C687-H717 PolarHBondContact SG-ND1 3.06Å
688	R	90	Very high	84.6	Confident	209 Å²	209	70.6 Å²	70.6	79%	0.789	37%	0.369	S	S	*	.			trans	56.6	24.1	-179.2	-54.6	-170	178.6	-167.1	0.4	115.2	C684	C684-R688 WeakPolarHBondContact O-CA 3.43Å; C684-R688 PolarHBondContact O-N 3.45Å
689	L	88.2	Confident	84.7	Confident	68 Å²	68	67.4 Å²	67.4	36%	0.356	37%	0.367	S	S	.	.			trans	-100	150	171.6	-64.7	173.2	0	0	0	109.5	V683 C684 C687 P694 P696	V683-L689 WeakPolarHBondContact CA-O 3.24Å; C684-L689 PolarHBondContact N-O 3.25Å; C687-L689 PolarHBondContact O-N 3.05Å; C687-L689 VanDerWaalsContact O-N 3.15Å; L689-P694 WeakPolarHBondContact CD1-O 3.41Å; L689-P696 HydrophobicContact CD1-CG 4.18Å
690	A	87.1	Confident	84.3	Confident	39 Å²	39	70 Å²	70	32%	0.322	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-58.8	147.3	174	0	0	0	0	0	111	E682 E692 S693	E682-A690 WeakPolarHBondContact O-CA 3.45Å; A690-E692 PolarHBondContact O-N 3.29Å; A690-E692 VanDerWaalsContact O-N 3.11Å; A690-S693 WeakPolarHBondContact O-CB 3.24Å; A690-S693 PolarHBondContact O-N 2.73Å
691	F	86.3	Confident	83.9	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.018	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.7	-179.4	-69.9	-63.6	0	0	0	114.7	W677 T679 E681 C684 S693 V707 C715 H717	W677-F691 HydrophobicContact CG-CB 4.35Å; W677-F691 PolarHBondContact NE1-O 3.43Å; T679-F691 HydrophobicContact CG2-CD2 3.94Å; T679-F691 HydrophobicContact CG2-CE2 4.13Å; E681-F691 HydrophobicContact CB-CE2 4.5Å; E681-F691 WeakPolarHBondContact O-CE2 3.39Å; C684-F691 HydrophobicContact CB-CD1 4.28Å; C684-F691 HydrophobicContact CB-CE1 3.72Å; C684-F691 HydrophobicContact CB-CZ 4.2Å; F691-S693 VanDerWaalsContact C-N 3.27Å; F691-V707 HydrophobicContact CB-CG2 3.72Å; F691-V707 HydrophobicContact CD1-CB 4.33Å; F691-V707 HydrophobicContact CD1-CG1 3.93Å; F691-V707 HydrophobicContact CD1-CG2 3.48Å; F691-V707 VanDerWaalsContact CD1-CG2 3.48Å; F691-V707 HydrophobicContact CE1-CG1 3.93Å; F691-V707 HydrophobicContact CE1-CG2 4.3Å; F691-V707 HydrophobicContact CG-CG1 4.5Å; F691-V707 HydrophobicContact CG-CG2 3.81Å; F691-C715 HydrophobicContact CZ-CB 4.37Å; F691-C715 WeakPolarHBondContact CZ-O 3.4Å; F691-C715 WeakPolarHBondContact CZ-SG 3.49Å; F691-H717 WeakPolarHBondContact CA-NE2 3.47Å; F691-H717 AromaticContact CD1-NE2 3.88Å
692	E	84.7	Confident	83.4	Confident	55 Å²	55	62.4 Å²	62.4	26%	0.257	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.1	175.6	-37.7	-44.5	163.9	0	0	112.9	W675 R676 W677 A690 P701	W675-E692 WeakPolarHBondContact CZ3-OE2 3.37Å; R676-E692 VanDerWaalsContact CA-OE1 3.26Å; R676-E692 WeakPolarHBondContact CA-OE1 3.38Å; W677-E692 VanDerWaalsContact CD1-CD 3.49Å; W677-E692 PolarHBondContact N-OE1 3.37Å; W677-E692 PolarHBondContact NE1-OE2 3.32Å; A690-E692 PolarHBondContact O-N 3.29Å; A690-E692 VanDerWaalsContact O-N 3.11Å; E692-P701 WeakPolarHBondContact O-CB 3.22Å; E692-P701 VanDerWaalsContact O-CG 3.29Å; E692-P701 WeakPolarHBondContact O-CG 3.35Å
693	S	84.2	Confident	83.1	Confident	52 Å²	52	61.2 Å²	61.2	36%	0.364	35%	0.352	S	S	.	.	S	Bend	trans	-106.2	146.7	174.9	-62.7	0	0	0	0	109.7	A690 F691 H717	A690-S693 WeakPolarHBondContact O-CB 3.24Å; A690-S693 PolarHBondContact O-N 2.73Å; F691-S693 VanDerWaalsContact C-N 3.27Å; S693-H717 PolarHBondContact O-CE1 3.26Å; S693-H717 PolarHBondContact O-NE2 3Å; S693-H717 VanDerWaalsContact O-NE2 3.08Å
694	P	83.6	Confident	82.2	Confident	29 Å²	29	63.8 Å²	63.8	19%	0.188	36%	0.363	C	S	.	.			trans	-63.9	150.1	174.2	24.1	-27	0	0	0	110.6	L689 C698	L689-P694 WeakPolarHBondContact CD1-O 3.41Å; P694-C698 HydrophobicContact CB-CB 3.6Å; P694-C698 WeakPolarHBondContact CB-O 3.35Å
695	C	88	Confident	81.8	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.007	36%	0.364	C	S	.	.			trans	-63.5	165	165.6	78	0	0	0	0	110.8	D697 C698 C705 H717 C720	C695-D697 PolarHBondContact O-N 2.98Å; C695-C698 WeakPolarHBondContact O-CA 3.14Å; C695-C698 PolarHBondContact O-N 3.47Å; C695-C698 VanDerWaalsContact O-O 3.06Å; C695-C705 PolarHBondContact N-SG 3.03Å; C695-H717 HydrophobicContact CB-CB 4.05Å; C695-C720 VanDerWaalsContact CB-SG 3.57Å
696	P	86.1	Confident	81.7	Confident	97 Å²	97	67.1 Å²	67.1	63%	0.63	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.3	-178.1	-25.4	35.3	0	0	0	114.9	C687 L689 C698	C687-P696 HydrophobicContact CB-CG 4.1Å; L689-P696 HydrophobicContact CD1-CG 4.18Å; P696-C698 VanDerWaalsContact C-N 3.28Å
697	D	82.8	Confident	81.6	Confident	97 Å²	97	64.9 Å²	64.9	52%	0.519	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.2	177.3	-61.6	-37.6	0	0	0	112.2	C695 K723	C695-D697 PolarHBondContact O-N 2.98Å; D697-K723 IonicContact OD1-NZ 3.36Å; D697-K723 PolarHBondContact OD1-NZ 3.34Å; D697-K723 IonicContact OD2-NZ 2.71Å; D697-K723 PolarHBondContact OD2-NZ 3.16Å
698	C	81.9	Confident	81.6	Confident	26 Å²	26	63.9 Å²	63.9	18%	0.176	35%	0.346	C	S	.	.			trans	-118.6	147.7	-177.9	-75.5	0	0	0	0	112.2	P694 C695 P696 C705 H719	P694-C698 HydrophobicContact CB-CB 3.6Å; P694-C698 WeakPolarHBondContact CB-O 3.35Å; C695-C698 WeakPolarHBondContact O-CA 3.14Å; C695-C698 PolarHBondContact O-N 3.47Å; C695-C698 VanDerWaalsContact O-O 3.06Å; P696-C698 VanDerWaalsContact C-N 3.28Å; C698-C705 HydrophobicContact CB-CB 4Å; C698-H719 PolarHBondContact SG-CE1 3.42Å; C698-H719 PolarHBondContact SG-ND1 2.83Å
699	T	77.1	Confident	81.6	Confident	140 Å²	140	56.9 Å²	56.9	86%	0.859	32%	0.32	S	S	*	.	S	Bend	trans	-93.7	-24.8	178.1	34	0	0	0	0	113.5
700	M	68.3	Low	81.7	Confident	90 Å²	90	53.6 Å²	53.6	44%	0.443	30%	0.303	S	S	.	.	S	Bend	trans	-136.8	137.9	-174	-69.1	-78.9	-68.8	0	0	110.7	A211	A211-M700 HydrophobicContact CB-SD 4.3Å
701	P	67.5	Low	81.7	Confident	58 Å²	58	56 Å²	56	38%	0.377	31%	0.314	S	S	.	.			trans	-73	152.5	172.4	29.4	-27.3	0	0	0	110.7	E692	E692-P701 WeakPolarHBondContact O-CB 3.22Å; E692-P701 VanDerWaalsContact O-CG 3.29Å; E692-P701 WeakPolarHBondContact O-CG 3.35Å
702	G	68.2	Low	81.8	Confident	22 Å²	22	56.8 Å²	56.8	23%	0.227	32%	0.319	C	S	.	.	S	Bend	trans	135.2	-154.3	178.8	0	0	0	0	0	113.4	D704 C705 R706	G702-D704 PolarHBondContact O-N 3.28Å; G702-D704 VanDerWaalsContact O-N 3.17Å; G702-C705 CarbonylContact O-C 3.53Å; G702-C705 PolarHBondContact O-N 2.82Å; G702-R706 PolarHBondContact O-N 3.43Å
703	D	72.9	Confident	81.9	Confident	111 Å²	111	58.3 Å²	58.3	59%	0.594	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-56.2	-34.9	-172	-66.9	-23.2	0	0	0	113.6	C705	D703-C705 VanDerWaalsContact C-N 3.32Å; D703-C705 PolarHBondContact O-N 3.02Å
704	D	70.7	Confident	82.2	Confident	120 Å²	120	58 Å²	58	64%	0.642	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-65	-37.8	177.8	-67.3	-36.2	0	0	0	111.4	G702 R718 H719	G702-D704 PolarHBondContact O-N 3.28Å; G702-D704 VanDerWaalsContact O-N 3.17Å; D704-R718 PolarHBondContact O-NH2 3.27Å; D704-H719 PolarHBondContact O-CE1 3.03Å; D704-H719 PolarHBondContact O-NE2 3.11Å
705	C	81.4	Confident	82.6	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.02	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-116	46.5	179.3	-159.9	0	0	0	0	111.8	C695 C698 G702 D703	C695-C705 PolarHBondContact N-SG 3.03Å; C698-C705 HydrophobicContact CB-CB 4Å; G702-C705 CarbonylContact O-C 3.53Å; G702-C705 PolarHBondContact O-N 2.82Å; D703-C705 VanDerWaalsContact C-N 3.32Å; D703-C705 PolarHBondContact O-N 3.02Å
706	R	85.3	Confident	82.8	Confident	103 Å²	103	56.7 Å²	56.7	39%	0.389	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-61.6	162.9	179.9	72.9	-177.3	-167	-166.7	-0.5	113	G702 D708 R718	G702-R706 PolarHBondContact O-N 3.43Å; R706-D708 IonicContact CZ-OD1 2.82Å; R706-D708 IonicContact NE-OD1 3.26Å; R706-D708 PolarHBondContact NE-OD1 2.8Å; R706-D708 IonicContact NH2-OD1 2.79Å; R706-D708 PolarHBondContact NH2-OD1 2.53Å; R706-R718 HydrophobicContact CG-CB 4.09Å; R706-R718 PolarHBondContact O-N 3Å
707	V	89.3	Confident	83.1	Confident	11 Å²	11	52 Å²	52	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.9	171.4	-174	0	0	0	0	109.4	W677 T679 F691 C715 Y716	W677-V707 HydrophobicContact CB-CG2 4.47Å; W677-V707 HydrophobicContact CD2-CB 4.27Å; W677-V707 HydrophobicContact CD2-CG2 3.76Å; W677-V707 HydrophobicContact CE3-CG2 4.47Å; W677-V707 HydrophobicContact CG-CG2 3.71Å; W677-V707 HydrophobicContact CZ2-CG2 4.44Å; T679-V707 HydrophobicContact CG2-CG1 4.41Å; F691-V707 HydrophobicContact CB-CG2 3.72Å; F691-V707 HydrophobicContact CD1-CB 4.33Å; F691-V707 HydrophobicContact CD1-CG1 3.93Å; F691-V707 HydrophobicContact CD1-CG2 3.48Å; F691-V707 VanDerWaalsContact CD1-CG2 3.48Å; F691-V707 HydrophobicContact CE1-CG1 3.93Å; F691-V707 HydrophobicContact CE1-CG2 4.3Å; F691-V707 HydrophobicContact CG-CG1 4.5Å; F691-V707 HydrophobicContact CG-CG2 3.81Å; V707-C715 HydrophobicContact CG1-CB 3.65Å; V707-Y716 WeakPolarHBondContact CA-O 3.46Å
708	D	90.2	Very high	83.4	Confident	6 Å²	6	51 Å²	51	3%	0.032	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.1	174.4	-78.5	-8.3	0	0	0	109.7	R706 C715 Y716 R718 I721 Q743	R706-D708 IonicContact CZ-OD1 2.82Å; R706-D708 IonicContact NE-OD1 3.26Å; R706-D708 PolarHBondContact NE-OD1 2.8Å; R706-D708 IonicContact NH2-OD1 2.79Å; R706-D708 PolarHBondContact NH2-OD1 2.53Å; D708-C715 WeakPolarHBondContact O-CA 3.14Å; D708-Y716 PolarHBondContact N-O 3.1Å; D708-Y716 PolarHBondContact O-N 3.26Å; D708-R718 WeakPolarHBondContact OD2-CB 3.26Å; D708-R718 WeakPolarHBondContact OD2-CG 3.13Å; D708-I721 HydrophobicContact CB-CG2 4.32Å; D708-Q743 PolarHBondContact OD1-NE2 3.03Å; D708-Q743 PolarHBondContact OD2-NE2 2.92Å
709	W	90.1	Very high	83.9	Confident	62 Å²	62	52.2 Å²	52.2	24%	0.235	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.1	-179	-71.8	83.9	0	0	0	110.8	K678 T679 N713 C715 Q743 Q744	K678-W709 WeakPolarHBondContact O-CZ2 3.3Å; T679-W709 HydrophobicContact CG2-CH2 4.04Å; T679-W709 HydrophobicContact CG2-CZ2 3.46Å; T679-W709 VanDerWaalsContact CG2-CZ2 3.46Å; W709-N713 VanDerWaalsContact CZ3-O 3.3Å; W709-N713 WeakPolarHBondContact CZ3-O 3.49Å; W709-C715 HydrophobicContact CD2-CB 3.6Å; W709-C715 HydrophobicContact CE3-CB 3.7Å; W709-C715 HydrophobicContact CG-CB 4.17Å; W709-C715 HydrophobicContact CH2-CB 4.11Å; W709-C715 HydrophobicContact CZ2-CB 4.03Å; W709-C715 HydrophobicContact CZ3-CB 3.94Å; W709-Q743 CarbonylContact O-C 3.59Å; W709-Q743 WeakPolarHBondContact O-CA 3.38Å; W709-Q744 HydrophobicContact CB-CB 4.22Å; W709-Q744 PolarHBondContact O-N 3.35Å
710	G	90.1	Very high	84.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-92.1	155.9	169.1	0	0	0	0	0	111	C712 N713 H714 R742	G710-C712 PolarHBondContact O-N 2.92Å; G710-C712 VanDerWaalsContact O-N 3.07Å; G710-N713 PolarHBondContact O-N 3.2Å; G710-H714 PolarHBondContact N-O 2.78Å; G710-R742 CarbonylContact C-O 3.57Å; G710-R742 WeakPolarHBondContact CA-O 3.5Å
711	T	87.4	Confident	85.8	Confident	89 Å²	89	41.6 Å²	41.6	55%	0.546	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.5	169.9	52.5	0	0	0	0	113.4	N713 R742	T711-N713 PolarHBondContact O-N 2.97Å; T711-R742 HydrophobicContact CG2-CB 4.01Å; T711-R742 PolarHBondContact N-O 3.47Å
712	C	88.8	Confident	86.9	Confident	20 Å²	20	42 Å²	42	14%	0.135	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	8.8	171.7	64.7	0	0	0	0	114	G710 H714 C734 C737	G710-C712 PolarHBondContact O-N 2.92Å; G710-C712 VanDerWaalsContact O-N 3.07Å; C712-H714 PolarHBondContact O-N 2.73Å; C712-H714 VanDerWaalsContact O-N 3.15Å; C712-H714 PolarHBondContact O-ND1 2.86Å; C712-H714 PolarHBondContact SG-ND1 2.99Å; C712-H714 VanDerWaalsContact SG-ND1 3.45Å; C712-C734 VanDerWaalsContact SG-SG 3.64Å; C712-C737 VanDerWaalsContact SG-SG 3.67Å
713	N	86.5	Confident	88	Confident	88 Å²	88	46.5 Å²	46.5	47%	0.471	23%	0.228	S	C	.	.	S	Bend	trans	64.9	7.3	-179	-123	34.6	0	0	0	116	W709 G710 T711	W709-N713 VanDerWaalsContact CZ3-O 3.3Å; W709-N713 WeakPolarHBondContact CZ3-O 3.49Å; G710-N713 PolarHBondContact O-N 3.2Å; T711-N713 PolarHBondContact O-N 2.97Å
714	H	90.1	Very high	89	Confident	45 Å²	45	44.6 Å²	44.6	21%	0.208	21%	0.212	C	C	.	.			trans	-85.3	150.2	169.5	-63.5	102.5	0	0	0	111.1	E681 G710 C712 Y716 L736	E681-H714 IonicContact OE1-CD2 3.34Å; G710-H714 PolarHBondContact N-O 2.78Å; C712-H714 PolarHBondContact O-N 2.73Å; C712-H714 VanDerWaalsContact O-N 3.15Å; C712-H714 PolarHBondContact O-ND1 2.86Å; C712-H714 PolarHBondContact SG-ND1 2.99Å; C712-H714 VanDerWaalsContact SG-ND1 3.45Å; H714-Y716 HydrophobicContact CB-CE2 4.19Å; H714-L736 HydrophobicContact CB-CD1 4.4Å; H714-L736 VanDerWaalsContact CD2-CD1 3.41Å; H714-L736 WeakPolarHBondContact CD2-CD1 3.26Å
715	C	91.5	Very high	89.9	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.2	-178.3	60.6	0	0	0	0	112.3	F691 V707 D708 W709	F691-C715 HydrophobicContact CZ-CB 4.37Å; F691-C715 WeakPolarHBondContact CZ-O 3.4Å; F691-C715 WeakPolarHBondContact CZ-SG 3.49Å; V707-C715 HydrophobicContact CG1-CB 3.65Å; D708-C715 WeakPolarHBondContact O-CA 3.14Å; W709-C715 HydrophobicContact CD2-CB 3.6Å; W709-C715 HydrophobicContact CE3-CB 3.7Å; W709-C715 HydrophobicContact CG-CB 4.17Å; W709-C715 HydrophobicContact CH2-CB 4.11Å; W709-C715 HydrophobicContact CZ2-CB 4.03Å; W709-C715 HydrophobicContact CZ3-CB 3.94Å
716	Y	93.3	Very high	90.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.9	-178.8	-54.6	-70.5	0	0	0	110.2	I686 V707 D708 H714 R718 I721 C734 P735 L736 W741	I686-Y716 HydrophobicContact CD1-CD1 3.86Å; I686-Y716 HydrophobicContact CD1-CD2 4.45Å; I686-Y716 HydrophobicContact CD1-CE1 4.42Å; I686-Y716 HydrophobicContact CD1-CG 3.89Å; I686-Y716 HydrophobicContact CG1-CD1 3.81Å; I686-Y716 HydrophobicContact CG1-CE1 4.12Å; I686-Y716 HydrophobicContact CG1-CG 4.36Å; V707-Y716 WeakPolarHBondContact CA-O 3.46Å; D708-Y716 PolarHBondContact N-O 3.1Å; D708-Y716 PolarHBondContact O-N 3.26Å; H714-Y716 HydrophobicContact CB-CE2 4.19Å; Y716-R718 PolarHBondContact O-N 2.81Å; Y716-I721 HydrophobicContact CD2-CB 4.14Å; Y716-I721 HydrophobicContact CD2-CD1 3.78Å; Y716-I721 HydrophobicContact CD2-CG1 4.07Å; Y716-I721 HydrophobicContact CE2-CD1 4.07Å; Y716-I721 HydrophobicContact CG-CB 4.39Å; Y716-C734 PolarHBondContact OH-SG 3.2Å; Y716-P735 HydrophobicContact CE1-CG 4.34Å; Y716-P735 HydrophobicContact CE2-CG 4.1Å; Y716-L736 HydrophobicContact CE1-CD1 3.98Å; Y716-L736 HydrophobicContact CE1-CG 4.36Å; Y716-L736 WeakPolarHBondContact OH-CB 3.37Å; Y716-L736 WeakPolarHBondContact OH-CD1 3.27Å; Y716-L736 WeakPolarHBondContact OH-CG 3.33Å; Y716-L736 PolarHBondContact OH-N 2.81Å; Y716-W741 AromaticContact CD2-CH2 3.58Å; Y716-W741 HydrophobicContact CD2-CH2 3.58Å; Y716-W741 HydrophobicContact CD2-CZ2 4.44Å; Y716-W741 AromaticContact CD2-CZ3 3.68Å; Y716-W741 HydrophobicContact CD2-CZ3 3.68Å; Y716-W741 HydrophobicContact CE2-CE3 4.25Å; Y716-W741 AromaticContact CE2-CH2 3.89Å; Y716-W741 HydrophobicContact CE2-CH2 3.89Å; Y716-W741 AromaticContact CE2-CZ3 3.47Å; Y716-W741 HydrophobicContact CE2-CZ3 3.47Å; Y716-W741 VanDerWaalsContact CE2-CZ3 3.47Å
717	H	91.3	Very high	90.2	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	133.6	162.8	-67.3	124.2	0	0	0	109.7	C684 C687 F691 S693 C695 H719 C720 I721	C684-H717 WeakPolarHBondContact CB-ND1 3.27Å; C687-H717 PolarHBondContact SG-ND1 3.06Å; F691-H717 WeakPolarHBondContact CA-NE2 3.47Å; F691-H717 AromaticContact CD1-NE2 3.88Å; S693-H717 PolarHBondContact O-CE1 3.26Å; S693-H717 PolarHBondContact O-NE2 3Å; S693-H717 VanDerWaalsContact O-NE2 3.08Å; C695-H717 HydrophobicContact CB-CB 4.05Å; H717-H719 VanDerWaalsContact C-N 3.28Å; H717-H719 PolarHBondContact O-N 2.8Å; H717-C720 HydrophobicContact CB-CB 4.13Å; H717-C720 WeakPolarHBondContact O-CA 3.01Å; H717-C720 VanDerWaalsContact O-CB 3.31Å; H717-C720 WeakPolarHBondContact O-CB 3.36Å; H717-C720 PolarHBondContact O-N 3.33Å; H717-I721 PolarHBondContact O-N 2.78Å
718	R	90.1	Very high	89.7	Confident	74 Å²	74	53.4 Å²	53.4	28%	0.279	27%	0.271	S	S	.	.	H	α-helix	trans	-47.8	-47.5	-179.5	177	172.7	74.4	125.2	4.9	113.3	D704 R706 D708 Y716 C720 I721 N722	D704-R718 PolarHBondContact O-NH2 3.27Å; R706-R718 HydrophobicContact CG-CB 4.09Å; R706-R718 PolarHBondContact O-N 3Å; D708-R718 WeakPolarHBondContact OD2-CB 3.26Å; D708-R718 WeakPolarHBondContact OD2-CG 3.13Å; Y716-R718 PolarHBondContact O-N 2.81Å; R718-C720 VanDerWaalsContact C-N 3.32Å; R718-C720 PolarHBondContact O-N 3.16Å; R718-I721 VanDerWaalsContact O-CG2 3.32Å; R718-I721 WeakPolarHBondContact O-CG2 3.43Å; R718-I721 PolarHBondContact O-N 3.17Å; R718-N722 VanDerWaalsContact O-CB 3.3Å; R718-N722 WeakPolarHBondContact O-CB 3.24Å; R718-N722 PolarHBondContact O-N 3.47Å; R718-N722 PolarHBondContact O-ND2 3.27Å
719	H	91.3	Very high	89.3	Confident	52 Å²	52	57.6 Å²	57.6	24%	0.241	29%	0.293	C	S	.	.	H	α-helix	trans	-66.1	-35.7	179.4	-60.9	130.1	0	0	0	112.7	C698 D704 H717 K723	C698-H719 PolarHBondContact SG-CE1 3.42Å; C698-H719 PolarHBondContact SG-ND1 2.83Å; D704-H719 PolarHBondContact O-CE1 3.03Å; D704-H719 PolarHBondContact O-NE2 3.11Å; H717-H719 VanDerWaalsContact C-N 3.28Å; H717-H719 PolarHBondContact O-N 2.8Å; H719-K723 WeakPolarHBondContact O-CB 3.44Å; H719-K723 PolarHBondContact O-N 3.44Å
720	C	92.9	Very high	88.9	Confident	7 Å²	7	54.8 Å²	54.8	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-48.1	177.2	-66.1	0	0	0	0	111.2	I686 C695 H717 R718 W724	I686-C720 HydrophobicContact CB-CB 3.83Å; I686-C720 HydrophobicContact CD1-CB 3.78Å; I686-C720 HydrophobicContact CG1-CB 4.39Å; I686-C720 HydrophobicContact CG2-CB 3.83Å; C695-C720 VanDerWaalsContact CB-SG 3.57Å; H717-C720 HydrophobicContact CB-CB 4.13Å; H717-C720 WeakPolarHBondContact O-CA 3.01Å; H717-C720 VanDerWaalsContact O-CB 3.31Å; H717-C720 WeakPolarHBondContact O-CB 3.36Å; H717-C720 PolarHBondContact O-N 3.33Å; R718-C720 VanDerWaalsContact C-N 3.32Å; R718-C720 PolarHBondContact O-N 3.16Å; C720-W724 WeakPolarHBondContact O-CB 3.34Å; C720-W724 PolarHBondContact O-N 3.18Å
721	I	92.7	Very high	88.4	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-71.1	-40.2	-179.4	-169.8	59.2	0	0	0	111.9	I686 D708 Y716 H717 R718 K723 W724 L725 P735 W741	I686-I721 HydrophobicContact CD1-CB 4.34Å; I686-I721 HydrophobicContact CD1-CD1 4.3Å; D708-I721 HydrophobicContact CB-CG2 4.32Å; Y716-I721 HydrophobicContact CD2-CB 4.14Å; Y716-I721 HydrophobicContact CD2-CD1 3.78Å; Y716-I721 HydrophobicContact CD2-CG1 4.07Å; Y716-I721 HydrophobicContact CE2-CD1 4.07Å; Y716-I721 HydrophobicContact CG-CB 4.39Å; H717-I721 PolarHBondContact O-N 2.78Å; R718-I721 VanDerWaalsContact O-CG2 3.32Å; R718-I721 WeakPolarHBondContact O-CG2 3.43Å; R718-I721 PolarHBondContact O-N 3.17Å; I721-K723 VanDerWaalsContact C-N 3.32Å; I721-K723 PolarHBondContact O-N 3.27Å; I721-W724 HydrophobicContact CD1-CB 4.39Å; I721-W724 WeakPolarHBondContact O-CB 3.43Å; I721-W724 PolarHBondContact O-N 3.22Å; I721-W724 VanDerWaalsContact O-N 3.13Å; I721-L725 HydrophobicContact CD1-CG 4.31Å; I721-L725 HydrophobicContact CG1-CD1 4.07Å; I721-L725 HydrophobicContact CG1-CG 4.26Å; I721-L725 VanDerWaalsContact O-CG 3.25Å; I721-L725 WeakPolarHBondContact O-CG 3.37Å; I721-L725 PolarHBondContact O-N 3.21Å; I721-P735 HydrophobicContact CD1-CG 4.11Å; I721-W741 HydrophobicContact CB-CZ2 4.5Å; I721-W741 HydrophobicContact CD1-CD2 3.97Å; I721-W741 HydrophobicContact CD1-CE3 4.09Å; I721-W741 HydrophobicContact CD1-CG 4.46Å; I721-W741 HydrophobicContact CD1-CZ2 4.43Å; I721-W741 HydrophobicContact CD1-CZ3 4.38Å; I721-W741 HydrophobicContact CG1-CD2 3.87Å; I721-W741 HydrophobicContact CG1-CE3 4.33Å; I721-W741 HydrophobicContact CG1-CG 4.38Å; I721-W741 HydrophobicContact CG1-CH2 4.17Å; I721-W741 HydrophobicContact CG1-CZ2 3.69Å; I721-W741 HydrophobicContact CG1-CZ3 4.48Å; I721-W741 HydrophobicContact CG2-CZ2 4.36Å
722	N	91.4	Very high	88.4	Confident	68 Å²	68	63 Å²	63	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-44.1	175.7	-72.4	-10.4	0	0	0	111.4	R718 W724 L725 T726	R718-N722 VanDerWaalsContact O-CB 3.3Å; R718-N722 WeakPolarHBondContact O-CB 3.24Å; R718-N722 PolarHBondContact O-N 3.47Å; R718-N722 PolarHBondContact O-ND2 3.27Å; N722-W724 VanDerWaalsContact C-N 3.32Å; N722-W724 PolarHBondContact O-N 2.95Å; N722-L725 PolarHBondContact O-N 3.2Å; N722-T726 WeakPolarHBondContact O-CG2 3.5Å; N722-T726 PolarHBondContact O-N 3.4Å; N722-T726 PolarHBondContact O-OG1 3.18Å
723	K	91.3	Very high	88.5	Confident	116 Å²	116	63.2 Å²	63.2	50%	0.504	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-38.2	175.9	-169.3	172	-173.3	172.2	0	111.9	D697 H719 I721 T726	D697-K723 IonicContact OD1-NZ 3.36Å; D697-K723 PolarHBondContact OD1-NZ 3.34Å; D697-K723 IonicContact OD2-NZ 2.71Å; D697-K723 PolarHBondContact OD2-NZ 3.16Å; H719-K723 WeakPolarHBondContact O-CB 3.44Å; H719-K723 PolarHBondContact O-N 3.44Å; I721-K723 VanDerWaalsContact C-N 3.32Å; I721-K723 PolarHBondContact O-N 3.27Å; K723-T726 WeakPolarHBondContact CA-OG1 3.04Å; K723-T726 PolarHBondContact O-N 3.46Å; K723-T726 PolarHBondContact O-OG1 3.49Å
724	W	92.6	Very high	88.7	Confident	71 Å²	71	59 Å²	59	27%	0.269	29%	0.292	S	S	.	.	H	α-helix	trans	-61.5	-49.5	173	176.6	-95.4	0	0	0	112.1	I686 C720 I721 N722 T726 R727 S730 S733 P735	I686-W724 HydrophobicContact CD1-CB 4.16Å; C720-W724 WeakPolarHBondContact O-CB 3.34Å; C720-W724 PolarHBondContact O-N 3.18Å; I721-W724 HydrophobicContact CD1-CB 4.39Å; I721-W724 WeakPolarHBondContact O-CB 3.43Å; I721-W724 PolarHBondContact O-N 3.22Å; I721-W724 VanDerWaalsContact O-N 3.13Å; N722-W724 VanDerWaalsContact C-N 3.32Å; N722-W724 PolarHBondContact O-N 2.95Å; W724-T726 PolarHBondContact O-N 2.99Å; W724-R727 WeakPolarHBondContact O-CB 3.31Å; W724-R727 PolarHBondContact O-N 3.07Å; W724-S730 VanDerWaalsContact O-CB 3.24Å; W724-S730 WeakPolarHBondContact O-CB 3.45Å; W724-S730 PolarHBondContact O-OG 3.1Å; W724-S733 PolarHBondContact NE1-O 2.89Å; W724-P735 HydrophobicContact CD2-CB 4.33Å; W724-P735 HydrophobicContact CD2-CG 3.91Å; W724-P735 HydrophobicContact CG-CG 3.88Å; W724-P735 HydrophobicContact CZ2-CB 4.11Å; W724-P735 HydrophobicContact CZ2-CG 4.43Å
725	L	90.1	Very high	88.7	Confident	50 Å²	50	58.5 Å²	58.5	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-63.9	-25.9	-179.4	-64.4	169.4	0	0	0	113	I721 N722 R727 S730 W741	I721-L725 HydrophobicContact CD1-CG 4.31Å; I721-L725 HydrophobicContact CG1-CD1 4.07Å; I721-L725 HydrophobicContact CG1-CG 4.26Å; I721-L725 VanDerWaalsContact O-CG 3.25Å; I721-L725 WeakPolarHBondContact O-CG 3.37Å; I721-L725 PolarHBondContact O-N 3.21Å; N722-L725 PolarHBondContact O-N 3.2Å; L725-R727 VanDerWaalsContact C-N 3.27Å; L725-R727 PolarHBondContact O-N 3.21Å; L725-S730 PolarHBondContact O-OG 2.91Å; L725-W741 VanDerWaalsContact CD1-CD1 3.47Å; L725-W741 HydrophobicContact CD1-CG 4.13Å; L725-W741 HydrophobicContact CD2-CB 3.72Å; L725-W741 HydrophobicContact CD2-CG 4.01Å
726	T	88.1	Confident	88.4	Confident	115 Å²	115	62.5 Å²	62.5	71%	0.706	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-13.6	173.5	56.9	0	0	0	0	114	N722 K723 W724	N722-T726 WeakPolarHBondContact O-CG2 3.5Å; N722-T726 PolarHBondContact O-N 3.4Å; N722-T726 PolarHBondContact O-OG1 3.18Å; K723-T726 WeakPolarHBondContact CA-OG1 3.04Å; K723-T726 PolarHBondContact O-N 3.46Å; K723-T726 PolarHBondContact O-OG1 3.49Å; W724-T726 PolarHBondContact O-N 2.99Å
727	R	85.2	Confident	88.2	Confident	131 Å²	131	64.6 Å²	64.6	49%	0.494	33%	0.327	S	S	.	.	S	Bend	trans	-75.9	136.9	177.6	-58.8	170.1	57.9	102.6	-1.9	110.1	W724 L725 D729 S730	W724-R727 WeakPolarHBondContact O-CB 3.31Å; W724-R727 PolarHBondContact O-N 3.07Å; L725-R727 VanDerWaalsContact C-N 3.27Å; L725-R727 PolarHBondContact O-N 3.21Å; R727-D729 WeakPolarHBondContact CB-OD1 3.31Å; R727-D729 IonicContact CZ-OD1 2.78Å; R727-D729 IonicContact CZ-OD2 2.99Å; R727-D729 IonicContact NE-OD1 3.21Å; R727-D729 PolarHBondContact NE-OD1 3.09Å; R727-D729 IonicContact NE-OD2 2.72Å; R727-D729 PolarHBondContact NE-OD2 3.33Å; R727-D729 IonicContact NH2-OD1 2.73Å; R727-D729 IonicContact NH2-OD2 3.84Å; R727-D729 PolarHBondContact NH2-OD2 2.77Å; R727-D729 PolarHBondContact O-N 3.14Å; R727-S730 WeakPolarHBondContact O-CB 3.37Å; R727-S730 PolarHBondContact O-N 3.45Å; R727-S730 VanDerWaalsContact O-N 3.16Å; R727-S730 PolarHBondContact O-OG 3.18Å
728	S	79.3	Confident	88.1	Confident	126 Å²	126	74.6 Å²	74.6	88%	0.881	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-62.1	-28.7	-179.9	45.7	0	0	0	0	113.7
729	D	81.4	Confident	87.9	Confident	93 Å²	93	76.4 Å²	76.4	50%	0.497	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-76.9	-20.2	178.2	60.7	-7.4	0	0	0	113.8	R727 R731	R727-D729 WeakPolarHBondContact CB-OD1 3.31Å; R727-D729 IonicContact CZ-OD1 2.78Å; R727-D729 IonicContact CZ-OD2 2.99Å; R727-D729 IonicContact NE-OD1 3.21Å; R727-D729 PolarHBondContact NE-OD1 3.09Å; R727-D729 IonicContact NE-OD2 2.72Å; R727-D729 PolarHBondContact NE-OD2 3.33Å; R727-D729 IonicContact NH2-OD1 2.73Å; R727-D729 IonicContact NH2-OD2 3.84Å; R727-D729 PolarHBondContact NH2-OD2 2.77Å; R727-D729 PolarHBondContact O-N 3.14Å; D729-R731 VanDerWaalsContact C-N 3.28Å; D729-R731 PolarHBondContact O-N 3.1Å
730	S	80.6	Confident	87.8	Confident	3 Å²	3	79.7 Å²	79.7	2%	0.021	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-68.6	-27.1	-174.4	71.9	0	0	0	0	113.3	W724 L725 R727 G732 S733	W724-S730 VanDerWaalsContact O-CB 3.24Å; W724-S730 WeakPolarHBondContact O-CB 3.45Å; W724-S730 PolarHBondContact O-OG 3.1Å; L725-S730 PolarHBondContact O-OG 2.91Å; R727-S730 WeakPolarHBondContact O-CB 3.37Å; R727-S730 PolarHBondContact O-N 3.45Å; R727-S730 VanDerWaalsContact O-N 3.16Å; R727-S730 PolarHBondContact O-OG 3.18Å; S730-G732 PolarHBondContact O-N 3.22Å; S730-G732 PolarHBondContact OG-N 3.24Å; S730-S733 WeakPolarHBondContact O-CB 3.43Å; S730-S733 PolarHBondContact O-N 2.84Å; S730-S733 PolarHBondContact O-OG 3.34Å
731	R	81.2	Confident	87.8	Confident	235 Å²	235	80.6 Å²	80.6	89%	0.887	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	29.4	-169.5	-60	-177.4	178.4	177.6	-0.9	113.1	D729 S733	D729-R731 VanDerWaalsContact C-N 3.28Å; D729-R731 PolarHBondContact O-N 3.1Å; R731-S733 PolarHBondContact O-N 3.31Å
732	G	86.2	Confident	87.5	Confident	28 Å²	28	87.6 Å²	87.6	29%	0.289	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	21.2	-176.7	0	0	0	0	0	114.6	S730 W741	S730-G732 PolarHBondContact O-N 3.22Å; S730-G732 PolarHBondContact OG-N 3.24Å; G732-W741 VanDerWaalsContact O-CB 3.29Å; G732-W741 WeakPolarHBondContact O-CB 3.11Å; G732-W741 PolarHBondContact O-N 3.02Å
733	S	90.6	Very high	87.3	Confident	23 Å²	23	88.4 Å²	88.4	16%	0.161	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-99	154.6	-176.5	68	0	0	0	0	113.5	W724 S730 R731 R738 Q739	W724-S733 PolarHBondContact NE1-O 2.89Å; S730-S733 WeakPolarHBondContact O-CB 3.43Å; S730-S733 PolarHBondContact O-N 2.84Å; S730-S733 PolarHBondContact O-OG 3.34Å; R731-S733 PolarHBondContact O-N 3.31Å; S733-R738 WeakPolarHBondContact CB-O 3.29Å; S733-Q739 CarbonylContact C-O 3.36Å; S733-Q739 WeakPolarHBondContact CA-O 3.26Å
734	C	91.4	Very high	86.9	Confident	0 Å²	0	87.4 Å²	87.4	0%	0	42%	0.42	C	S	.	.			trans	-60.8	129.9	173.9	-180	0	0	0	0	110.9	C712 Y716 L736 C737 R738 Q739 W741	C712-C734 VanDerWaalsContact SG-SG 3.64Å; Y716-C734 PolarHBondContact OH-SG 3.2Å; C734-L736 VanDerWaalsContact C-N 3.29Å; C734-L736 PolarHBondContact O-N 2.96Å; C734-C737 VanDerWaalsContact CB-SG 3.6Å; C734-C737 VanDerWaalsContact SG-SG 3.61Å; C734-R738 WeakPolarHBondContact O-CA 3.37Å; C734-R738 PolarHBondContact O-N 2.95Å; C734-Q739 WeakPolarHBondContact CB-O 3.47Å; C734-Q739 PolarHBondContact N-O 3.07Å; C734-W741 HydrophobicContact CB-CE3 3.97Å
735	P	89.2	Confident	85.6	Confident	35 Å²	35	93 Å²	93	23%	0.227	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.9	179.8	-18.5	22.7	0	0	0	114.8	I686 Y716 I721 W724	I686-P735 HydrophobicContact CD1-CG 3.92Å; I686-P735 HydrophobicContact CG1-CG 4Å; Y716-P735 HydrophobicContact CE1-CG 4.34Å; Y716-P735 HydrophobicContact CE2-CG 4.1Å; I721-P735 HydrophobicContact CD1-CG 4.11Å; W724-P735 HydrophobicContact CD2-CB 4.33Å; W724-P735 HydrophobicContact CD2-CG 3.91Å; W724-P735 HydrophobicContact CG-CG 3.88Å; W724-P735 HydrophobicContact CZ2-CB 4.11Å; W724-P735 HydrophobicContact CZ2-CG 4.43Å
736	L	86.1	Confident	83.7	Confident	86 Å²	86	99.6 Å²	99.6	45%	0.45	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-52.7	-174.4	-75.1	168	0	0	0	112.4	H714 Y716 C734	H714-L736 HydrophobicContact CB-CD1 4.4Å; H714-L736 VanDerWaalsContact CD2-CD1 3.41Å; H714-L736 WeakPolarHBondContact CD2-CD1 3.26Å; Y716-L736 HydrophobicContact CE1-CD1 3.98Å; Y716-L736 HydrophobicContact CE1-CG 4.36Å; Y716-L736 WeakPolarHBondContact OH-CB 3.37Å; Y716-L736 WeakPolarHBondContact OH-CD1 3.27Å; Y716-L736 WeakPolarHBondContact OH-CG 3.33Å; Y716-L736 PolarHBondContact OH-N 2.81Å; C734-L736 VanDerWaalsContact C-N 3.29Å; C734-L736 PolarHBondContact O-N 2.96Å
737	C	89.7	Confident	83.5	Confident	44 Å²	44	98.8 Å²	98.8	30%	0.297	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-5.4	-174.4	67.7	0	0	0	0	114.9	C712 C734 Q739	C712-C737 VanDerWaalsContact SG-SG 3.67Å; C734-C737 VanDerWaalsContact CB-SG 3.6Å; C734-C737 VanDerWaalsContact SG-SG 3.61Å; C737-Q739 HydrophobicContact CB-CG 4.44Å; C737-Q739 PolarHBondContact O-N 3.21Å
738	R	88.4	Confident	83.4	Confident	209 Å²	209	97.1 Å²	97.1	79%	0.789	49%	0.491	S	S	*	.			trans	57.9	9.9	-177.1	-55.8	-174.4	177.6	-152.1	0.3	115.9	S733 C734	S733-R738 WeakPolarHBondContact CB-O 3.29Å; C734-R738 WeakPolarHBondContact O-CA 3.37Å; C734-R738 PolarHBondContact O-N 2.95Å
739	Q	86.7	Confident	83.7	Confident	112 Å²	112	95.5 Å²	95.5	52%	0.523	47%	0.469	S	S	.	.	S	Bend	trans	-67.5	151.3	168	-65.2	-179.8	-7	0	0	109.9	S733 C734 C737 W741	S733-Q739 CarbonylContact C-O 3.36Å; S733-Q739 WeakPolarHBondContact CA-O 3.26Å; C734-Q739 WeakPolarHBondContact CB-O 3.47Å; C734-Q739 PolarHBondContact N-O 3.07Å; C737-Q739 HydrophobicContact CB-CG 4.44Å; C737-Q739 PolarHBondContact O-N 3.21Å; Q739-W741 PolarHBondContact O-N 3.3Å
740	E	89.2	Confident	83.8	Confident	121 Å²	121	95.6 Å²	95.6	57%	0.565	47%	0.468	S	S	*	.	B	Isolated β-bridge	trans	-52.9	126.6	173.9	-171.2	-172.4	-167.9	0	0	110.1	R742	E740-R742 PolarHBondContact O-N 3.4Å; E740-R742 IonicContact OE1-NH2 3.32Å; E740-R742 PolarHBondContact OE1-NH2 3.31Å; E740-R742 IonicContact OE2-CZ 2.74Å; E740-R742 IonicContact OE2-NE 3.77Å; E740-R742 PolarHBondContact OE2-NE 2.89Å; E740-R742 VanDerWaalsContact OE2-NE 3.14Å; E740-R742 IonicContact OE2-NH2 3.98Å; E740-R742 PolarHBondContact OE2-NH2 3.34Å
741	W	92.3	Very high	84	Confident	26 Å²	26	101.4 Å²	101.4	10%	0.098	50%	0.496	C	S	.	.			trans	-76.3	109.9	-177.3	179.7	-93.2	0	0	0	110.1	Y716 I721 L725 G732 C734 Q739	Y716-W741 AromaticContact CD2-CH2 3.58Å; Y716-W741 HydrophobicContact CD2-CH2 3.58Å; Y716-W741 HydrophobicContact CD2-CZ2 4.44Å; Y716-W741 AromaticContact CD2-CZ3 3.68Å; Y716-W741 HydrophobicContact CD2-CZ3 3.68Å; Y716-W741 HydrophobicContact CE2-CE3 4.25Å; Y716-W741 AromaticContact CE2-CH2 3.89Å; Y716-W741 HydrophobicContact CE2-CH2 3.89Å; Y716-W741 AromaticContact CE2-CZ3 3.47Å; Y716-W741 HydrophobicContact CE2-CZ3 3.47Å; Y716-W741 VanDerWaalsContact CE2-CZ3 3.47Å; I721-W741 HydrophobicContact CB-CZ2 4.5Å; I721-W741 HydrophobicContact CD1-CD2 3.97Å; I721-W741 HydrophobicContact CD1-CE3 4.09Å; I721-W741 HydrophobicContact CD1-CG 4.46Å; I721-W741 HydrophobicContact CD1-CZ2 4.43Å; I721-W741 HydrophobicContact CD1-CZ3 4.38Å; I721-W741 HydrophobicContact CG1-CD2 3.87Å; I721-W741 HydrophobicContact CG1-CE3 4.33Å; I721-W741 HydrophobicContact CG1-CG 4.38Å; I721-W741 HydrophobicContact CG1-CH2 4.17Å; I721-W741 HydrophobicContact CG1-CZ2 3.69Å; I721-W741 HydrophobicContact CG1-CZ3 4.48Å; I721-W741 HydrophobicContact CG2-CZ2 4.36Å; L725-W741 VanDerWaalsContact CD1-CD1 3.47Å; L725-W741 HydrophobicContact CD1-CG 4.13Å; L725-W741 HydrophobicContact CD2-CB 3.72Å; L725-W741 HydrophobicContact CD2-CG 4.01Å; G732-W741 VanDerWaalsContact O-CB 3.29Å; G732-W741 WeakPolarHBondContact O-CB 3.11Å; G732-W741 PolarHBondContact O-N 3.02Å; C734-W741 HydrophobicContact CB-CE3 3.97Å; Q739-W741 PolarHBondContact O-N 3.3Å
742	R	86.3	Confident	84.2	Confident	148 Å²	148	92.5 Å²	92.5	56%	0.558	47%	0.47	S	S	*	.			trans	-115.9	119.9	168.1	-63.8	-178.4	-173.5	-118.1	-1.7	108.5	G710 T711 E740 Q744	G710-R742 CarbonylContact C-O 3.57Å; G710-R742 WeakPolarHBondContact CA-O 3.5Å; T711-R742 HydrophobicContact CG2-CB 4.01Å; T711-R742 PolarHBondContact N-O 3.47Å; E740-R742 PolarHBondContact O-N 3.4Å; E740-R742 IonicContact OE1-NH2 3.32Å; E740-R742 PolarHBondContact OE1-NH2 3.31Å; E740-R742 IonicContact OE2-CZ 2.74Å; E740-R742 IonicContact OE2-NE 3.77Å; E740-R742 PolarHBondContact OE2-NE 2.89Å; E740-R742 VanDerWaalsContact OE2-NE 3.14Å; E740-R742 IonicContact OE2-NH2 3.98Å; E740-R742 PolarHBondContact OE2-NH2 3.34Å; R742-Q744 PolarHBondContact O-N 3.13Å
743	Q	87.7	Confident	84	Confident	84 Å²	84	97.1 Å²	97.1	39%	0.393	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-67.7	124.8	178.2	-176	167.9	12.3	0	0	109.6	D708 W709 M745	D708-Q743 PolarHBondContact OD1-NE2 3.03Å; D708-Q743 PolarHBondContact OD2-NE2 2.92Å; W709-Q743 CarbonylContact O-C 3.59Å; W709-Q743 WeakPolarHBondContact O-CA 3.38Å; Q743-M745 PolarHBondContact O-N 3.38Å
744	Q	82.8	Confident	83.5	Confident	96 Å²	96	102.8 Å²	102.8	45%	0.449	51%	0.507	S	S	.	.			trans	-72.8	113	172.2	-170.6	171.7	-8.6	0	0	108	W709 R742 S746	W709-Q744 HydrophobicContact CB-CB 4.22Å; W709-Q744 PolarHBondContact O-N 3.35Å; R742-Q744 PolarHBondContact O-N 3.13Å; Q744-S746 PolarHBondContact O-N 3.42Å
745	M	65.3	Low	82.9	Confident	187 Å²	187	111.4 Å²	111.4	92%	0.921	55%	0.549	S	S	*	.			trans	-68.7	114.8	174.4	-73.5	-174.1	153.7	0	0	108.7	Q743	Q743-M745 PolarHBondContact O-N 3.38Å
746	S	50.8	Low	82.3	Confident	189 Å²	189	118.4 Å²	118.4	100%	1.322	58%	0.579	S	S	*	*			trans	-75.9	0	173.8	65	0	0	0	0	112.5	Q744	Q744-S746 PolarHBondContact O-N 3.42Å

Retrieved 746 of 746 residues in 731.9 ms (Link to these results)

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