A0A077Z0D0_TRITR Loading...

Muscle M line assembly protein unc 89

AlphaFold DB , UniProt , Accession A0A077Z0D0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 761 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	36.7	Very low	29	Very low	231 Å²	231	160.3 Å²	160.3	100%	1.138	82%	0.823	S	S	*	*				0	101.1	0	-81.9	175.9	177	0	0	106.2	V3	M1-V3 PolarHBondContact O-N 3.49Å
2	N	31.3	Very low	28.8	Very low	162 Å²	162	156.2 Å²	156.2	87%	0.866	82%	0.819	S	S	*	*			trans	-70.4	110	177.7	-73	-10.3	0	0	0	107.6	E4	N2-E4 PolarHBondContact O-N 3.34Å
3	V	30.3	Very low	28.7	Very low	127 Å²	127	153.7 Å²	153.7	77%	0.77	81%	0.814	S	S	*	*			trans	-79.5	95.6	174.5	179.8	0	0	0	0	106.2	M1 L5	M1-V3 PolarHBondContact O-N 3.49Å; V3-L5 PolarHBondContact O-N 3.45Å
4	E	28.7	Very low	28.6	Very low	185 Å²	185	151.1 Å²	151.1	86%	0.864	82%	0.815	S	S	*	*			trans	-65.1	115	170.1	-76.8	178.4	159.8	0	0	108.9	N2	N2-E4 PolarHBondContact O-N 3.34Å
5	L	27.4	Very low	28.7	Very low	156 Å²	156	146.6 Å²	146.6	82%	0.817	80%	0.799	S	S	*	*			trans	-73.1	137.7	171.8	-74.1	164.1	0	0	0	109.2	V3	V3-L5 PolarHBondContact O-N 3.45Å
6	P	30.2	Very low	28.6	Very low	110 Å²	110	142.6 Å²	142.6	71%	0.714	80%	0.803	S	S	*	*			trans	-73.2	134.4	-170.4	27.3	-31.8	0	0	0	112.7	V8	P6-V8 PolarHBondContact O-N 3.35Å; P6-V8 VanDerWaalsContact O-N 3.1Å
7	D	28.9	Very low	28.7	Very low	148 Å²	148	142.4 Å²	142.4	79%	0.791	80%	0.797	S	S	*	*			trans	-49.6	106.4	173.8	-88.6	-29.7	0	0	0	112.5	R9	D7-R9 PolarHBondContact O-N 3.21Å
8	V	27.2	Very low	28.8	Very low	114 Å²	114	145.5 Å²	145.5	69%	0.691	80%	0.801	S	S	*	*			trans	-76.4	89.2	169.8	-177.4	0	0	0	0	108.5	P6 F10	P6-V8 PolarHBondContact O-N 3.35Å; P6-V8 VanDerWaalsContact O-N 3.1Å; V8-F10 HydrophobicContact CG1-CE2 4.25Å; V8-F10 HydrophobicContact CG1-CZ 4.32Å; V8-F10 WeakPolarHBondContact O-CD2 3.5Å; V8-F10 PolarHBondContact O-N 3.38Å
9	R	25	Very low	28.9	Very low	213 Å²	213	143.5 Å²	143.5	80%	0.804	80%	0.798	S	S	*	*			trans	-74	108.1	170.8	-72.9	-173.5	180	179.7	0.9	110.1	D7 V11	D7-R9 PolarHBondContact O-N 3.21Å; R9-V11 PolarHBondContact O-N 3.37Å; R9-V11 VanDerWaalsContact O-N 3.1Å
10	F	28.8	Very low	29	Very low	193 Å²	193	142.3 Å²	142.3	85%	0.846	80%	0.797	S	S	*	*			trans	-66.5	103	168.9	-67.3	-89.7	0	0	0	109.8	V8 S12	V8-F10 HydrophobicContact CG1-CE2 4.25Å; V8-F10 HydrophobicContact CG1-CZ 4.32Å; V8-F10 WeakPolarHBondContact O-CD2 3.5Å; V8-F10 PolarHBondContact O-N 3.38Å; F10-S12 PolarHBondContact O-N 3.04Å
11	V	24.8	Very low	29.1	Very low	124 Å²	124	142.1 Å²	142.1	75%	0.752	80%	0.799	S	S	*	*			trans	-79.8	105.1	170.5	-178.6	0	0	0	0	107.9	R9 V13	R9-V11 PolarHBondContact O-N 3.37Å; R9-V11 VanDerWaalsContact O-N 3.1Å; V11-V13 PolarHBondContact O-N 3.49Å; V11-V13 VanDerWaalsContact O-N 3.15Å
12	S	26.3	Very low	28.7	Very low	111 Å²	111	135.9 Å²	135.9	78%	0.776	78%	0.778	S	S	*	*			trans	-71	103.1	171.7	51.6	0	0	0	0	109.5	F10 S14	F10-S12 PolarHBondContact O-N 3.04Å; S12-S14 PolarHBondContact O-N 3.05Å
13	V	27.6	Very low	28.7	Very low	124 Å²	124	134 Å²	134	75%	0.752	78%	0.775	S	S	*	*			trans	-77.7	103.5	172.1	-176.9	0	0	0	0	107.9	V11 S15	V11-V13 PolarHBondContact O-N 3.49Å; V11-V13 VanDerWaalsContact O-N 3.15Å; V13-S15 VanDerWaalsContact C-N 3.28Å; V13-S15 PolarHBondContact O-N 3.48Å
14	S	27	Very low	28.5	Very low	118 Å²	118	139.2 Å²	139.2	83%	0.825	78%	0.781	S	S	*	*			trans	-73.4	78.2	173.2	52.1	0	0	0	0	110.5	S12 G16	S12-S14 PolarHBondContact O-N 3.05Å; S14-G16 PolarHBondContact O-N 3.39Å; S14-G16 VanDerWaalsContact O-N 3.09Å
15	S	30.1	Very low	28.5	Very low	83 Å²	83	136.1 Å²	136.1	58%	0.58	78%	0.777	S	S	*	*			trans	-71.7	103.4	168.4	59.2	0	0	0	0	109.1	V13 I17	V13-S15 VanDerWaalsContact C-N 3.28Å; V13-S15 PolarHBondContact O-N 3.48Å; S15-I17 VanDerWaalsContact C-N 3.3Å; S15-I17 PolarHBondContact O-N 2.9Å
16	G	27.6	Very low	28.7	Very low	83 Å²	83	135.1 Å²	135.1	86%	0.856	78%	0.777	S	S	*	*			trans	-63.1	86.5	171.7	0	0	0	0	0	111.4	S14	S14-G16 PolarHBondContact O-N 3.39Å; S14-G16 VanDerWaalsContact O-N 3.09Å
17	I	30.2	Very low	28.5	Very low	138 Å²	138	141.3 Å²	141.3	71%	0.708	79%	0.786	S	S	*	*			trans	-98.5	108.2	170.8	-60.7	176.1	0	0	0	106.7	S15 S19	S15-I17 VanDerWaalsContact C-N 3.3Å; S15-I17 PolarHBondContact O-N 2.9Å; I17-S19 PolarHBondContact O-N 2.85Å
18	K	29.9	Very low	28.5	Very low	199 Å²	199	142.9 Å²	142.9	87%	0.865	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-55	125.7	171.9	-77.3	179.8	174.7	178.2	0	108.9
19	S	30.3	Very low	28.5	Very low	108 Å²	108	146.4 Å²	146.4	76%	0.755	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-51.5	125.1	177.1	37.6	0	0	0	0	111.2	I17 V21	I17-S19 PolarHBondContact O-N 2.85Å; S19-V21 PolarHBondContact O-N 2.95Å
20	P	31	Very low	28.6	Very low	118 Å²	118	142.2 Å²	142.2	77%	0.766	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69	132.1	168.4	-6.1	21.2	0	0	0	108.6	S22	P20-S22 PolarHBondContact O-N 3.49Å
21	V	31.3	Very low	28.3	Very low	140 Å²	140	141.6 Å²	141.6	85%	0.848	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-53	119.2	174	177.1	0	0	0	0	108.7	S19	S19-V21 PolarHBondContact O-N 2.95Å
22	S	28.8	Very low	28.2	Very low	99 Å²	99	144.2 Å²	144.2	69%	0.692	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-60.2	131.3	179	46.8	0	0	0	0	110.5	P20 R24	P20-S22 PolarHBondContact O-N 3.49Å; S22-R24 PolarHBondContact O-N 3.38Å
23	P	30.5	Very low	28.1	Very low	124 Å²	124	144.4 Å²	144.4	81%	0.805	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-66.4	129.9	171	-3.9	17.4	0	0	0	108.5
24	R	27	Very low	27.9	Very low	236 Å²	236	144.7 Å²	144.7	89%	0.891	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-56.2	135.6	175.7	-80.4	-178.9	174.2	-176.6	-1.9	110	S22 V26	S22-R24 PolarHBondContact O-N 3.38Å; R24-V26 PolarHBondContact O-N 2.96Å
25	P	29.6	Very low	27.8	Very low	119 Å²	119	146.2 Å²	146.2	77%	0.773	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67.5	128	-176.9	26.6	-31.5	0	0	0	110.1	R27	P25-R27 PolarHBondContact O-N 2.97Å
26	V	29.9	Very low	27.5	Very low	136 Å²	136	146.8 Å²	146.8	82%	0.824	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-61.3	120.5	166.3	179.6	0	0	0	0	106.6	R24 E28	R24-V26 PolarHBondContact O-N 2.96Å; V26-E28 PolarHBondContact O-N 3.02Å
27	R	26.8	Very low	27.4	Very low	239 Å²	239	148 Å²	148	90%	0.902	80%	0.796	S	S	*	*			trans	-60.2	108.5	173.7	-81.3	177.6	168.7	172.2	-5	108	P25 E29	P25-R27 PolarHBondContact O-N 2.97Å; R27-E29 PolarHBondContact O-N 3.06Å
28	E	28.5	Very low	27	Very low	181 Å²	181	147.6 Å²	147.6	85%	0.846	81%	0.805	S	S	*	*			trans	-66.2	112.9	164.8	-74.3	178.9	160.2	0	0	107.7	V26 T30	V26-E28 PolarHBondContact O-N 3.02Å; E28-T30 PolarHBondContact O-N 3.14Å; E28-T30 VanDerWaalsContact O-N 3.1Å
29	E	27.5	Very low	26.8	Very low	189 Å²	189	142.4 Å²	142.4	88%	0.883	79%	0.793	S	S	*	*			trans	-65.7	106.2	169.8	-72	-178.8	165	0	0	108.1	R27 M31	R27-E29 PolarHBondContact O-N 3.06Å; E29-M31 PolarHBondContact O-N 3.1Å; E29-M31 VanDerWaalsContact O-N 3.09Å
30	T	26.5	Very low	26.6	Very low	125 Å²	125	148 Å²	148	77%	0.767	80%	0.798	S	S	*	*			trans	-64.8	103.9	173	46.8	0	0	0	0	109.1	E28 E32	E28-T30 PolarHBondContact O-N 3.14Å; E28-T30 VanDerWaalsContact O-N 3.1Å; T30-E32 PolarHBondContact O-N 2.94Å; T30-E32 VanDerWaalsContact O-N 3.12Å
31	M	23.2	Very low	26.2	Very low	180 Å²	180	150.7 Å²	150.7	89%	0.887	81%	0.806	S	S	*	*			trans	-66.6	106.1	162.8	-82.1	-169.3	-176.6	0	0	108.6	E29 V33	E29-M31 PolarHBondContact O-N 3.1Å; E29-M31 VanDerWaalsContact O-N 3.09Å; M31-V33 PolarHBondContact O-N 2.84Å
32	E	22.3	Very low	26.1	Very low	178 Å²	178	149.3 Å²	149.3	83%	0.832	80%	0.799	S	S	*	*			trans	-64.6	94.4	165.7	-76.6	-175.5	153	0	0	109.1	T30 V34	T30-E32 PolarHBondContact O-N 2.94Å; T30-E32 VanDerWaalsContact O-N 3.12Å; E32-V34 PolarHBondContact O-N 3.15Å
33	V	24.9	Very low	26	Very low	115 Å²	115	150.9 Å²	150.9	70%	0.697	81%	0.809	S	S	*	*			trans	-76.2	104.7	163.9	179.5	0	0	0	0	106.8	M31 I35	M31-V33 PolarHBondContact O-N 2.84Å; V33-I35 VanDerWaalsContact C-N 3.33Å; V33-I35 HydrophobicContact CG1-CG1 4.12Å; V33-I35 PolarHBondContact O-N 3.48Å
34	V	22.8	Very low	25.8	Very low	131 Å²	131	153.6 Å²	153.6	79%	0.794	82%	0.816	S	S	*	*			trans	-65.9	93.2	171.3	179.2	0	0	0	0	108	E32 S36	E32-V34 PolarHBondContact O-N 3.15Å; V34-S36 PolarHBondContact O-N 2.96Å
35	I	25.6	Very low	25.7	Very low	149 Å²	149	149.7 Å²	149.7	76%	0.764	81%	0.813	S	S	*	*			trans	-77.4	102.9	172.7	-59.5	174.4	0	0	0	107	V33 S37	V33-I35 VanDerWaalsContact C-N 3.33Å; V33-I35 HydrophobicContact CG1-CG1 4.12Å; V33-I35 PolarHBondContact O-N 3.48Å; I35-S37 PolarHBondContact O-N 2.81Å
36	S	23.8	Very low	25.9	Very low	96 Å²	96	149.5 Å²	149.5	67%	0.671	81%	0.812	S	S	*	*			trans	-60.5	120.9	171.9	62	0	0	0	0	109.7	V34 C38	V34-S36 PolarHBondContact O-N 2.96Å; S36-C38 PolarHBondContact O-N 2.91Å
37	S	24.3	Very low	25.6	Very low	107 Å²	107	151.5 Å²	151.5	75%	0.748	81%	0.814	S	S	*	*			trans	-63.4	100.5	179.7	54.1	0	0	0	0	111.9	I35 S39	I35-S37 PolarHBondContact O-N 2.81Å; S37-S39 VanDerWaalsContact C-N 3.3Å; S37-S39 PolarHBondContact O-N 3.15Å
38	C	23.4	Very low	25.5	Very low	131 Å²	131	144.6 Å²	144.6	89%	0.885	80%	0.803	S	S	*	*			trans	-75.4	86.5	161	-81	0	0	0	0	108.9	S36	S36-C38 PolarHBondContact O-N 2.91Å
39	S	23.9	Very low	25.4	Very low	90 Å²	90	143.4 Å²	143.4	63%	0.629	80%	0.802	S	S	*	*			trans	-84.2	131.3	171.7	63.2	0	0	0	0	110.9	S37	S37-S39 VanDerWaalsContact C-N 3.3Å; S37-S39 PolarHBondContact O-N 3.15Å
40	R	26.4	Very low	25.3	Very low	226 Å²	226	138.1 Å²	138.1	85%	0.853	80%	0.798	S	S	*	*			trans	78.8	96	157.5	-57.2	176.1	-176	-176.8	1.1	116.9	P42	R40-P42 WeakPolarHBondContact O-CD 3.07Å
41	N	23.9	Very low	25.3	Very low	174 Å²	174	139 Å²	139	93%	0.93	80%	0.803	S	S	*	*			trans	-89.4	104.1	145.6	-92	-18.8	0	0	0	108.3
42	P	29.3	Very low	25.7	Very low	110 Å²	110	134.6 Å²	134.6	71%	0.714	80%	0.795	S	S	*	*			trans	-85.2	138.9	164.2	27.9	-17.1	0	0	0	110	R40 L44	R40-P42 WeakPolarHBondContact O-CD 3.07Å; P42-L44 PolarHBondContact O-N 3.06Å
43	C	24.9	Very low	26.1	Very low	132 Å²	132	134 Å²	134	89%	0.892	80%	0.798	S	S	*	*			trans	-33.7	118	177.1	-53.7	0	0	0	0	114.2	N45	C43-N45 PolarHBondContact O-N 2.9Å
44	L	26.6	Very low	26.6	Very low	182 Å²	182	137.8 Å²	137.8	95%	0.953	81%	0.808	S	S	*	*			trans	-67.5	106.7	166.7	-78	156.6	0	0	0	109	P42	P42-L44 PolarHBondContact O-N 3.06Å
45	N	25.7	Very low	27.3	Very low	153 Å²	153	140.7 Å²	140.7	82%	0.818	81%	0.81	S	S	*	*			trans	-94.4	131.5	161.2	-132.6	-1.1	0	0	0	107.2	C43 M47	C43-N45 PolarHBondContact O-N 2.9Å; N45-M47 PolarHBondContact O-N 3.32Å
46	P	33.1	Very low	28.3	Very low	116 Å²	116	139 Å²	139	75%	0.753	80%	0.802	S	S	*	*			trans	-84	118.1	-165	32.6	-30.7	0	0	0	110
47	M	24.2	Very low	29.4	Very low	177 Å²	177	138.2 Å²	138.2	87%	0.872	79%	0.793	S	S	*	*			trans	-127.5	118.1	158.6	-82.3	-152.5	-85.4	0	0	110.1	N45	N45-M47 PolarHBondContact O-N 3.32Å
48	S	24.5	Very low	30.5	Very low	95 Å²	95	138.6 Å²	138.6	66%	0.664	79%	0.787	S	S	*	*			trans	-10.7	121.2	155.7	54.2	0	0	0	0	116.4
49	N	26.1	Very low	32	Very low	156 Å²	156	139.3 Å²	139.3	83%	0.834	78%	0.775	S	S	*	*				174.2	124.4	115.9	-85.5	-23.1	0	0	0	108.4
50	G	25.3	Very low	33.4	Very low	78 Å²	78	139.3 Å²	139.3	80%	0.804	77%	0.765	S	S	*	*			trans	-70.2	140.6	-174.7	0	0	0	0	0	113.2
51	V	28.1	Very low	34.4	Very low	143 Å²	143	136.4 Å²	136.4	87%	0.867	75%	0.754	S	S	*	*			trans	-151.3	120.2	151.1	-179.1	0	0	0	0	108.7
52	A	30.4	Very low	35.3	Very low	88 Å²	88	136.7 Å²	136.7	73%	0.727	74%	0.742	S	S	*	*			trans	33.6	116.1	154.8	0	0	0	0	0	121.6	E54	A52-E54 PolarHBondContact O-N 2.6Å
53	D	31.3	Very low	36.4	Very low	165 Å²	165	136 Å²	136	88%	0.882	73%	0.732	S	S	*	*			trans	-56.1	106.2	160	-77.4	-43	0	0	0	112.2	K55	D53-K55 PolarHBondContact O-N 3.39Å
54	E	34.5	Very low	37.4	Very low	194 Å²	194	135 Å²	135	91%	0.907	72%	0.717	S	S	*	*			trans	-78	105.4	161.9	-83.9	-173	156.4	0	0	109.7	A52 L56	A52-E54 PolarHBondContact O-N 2.6Å; E54-L56 PolarHBondContact O-N 3.03Å
55	K	38.7	Very low	38	Very low	192 Å²	192	133.1 Å²	133.1	84%	0.835	71%	0.705	S	S	*	*			trans	-70.8	119.7	170.4	-76.5	179.1	176.4	175.7	0	109.8	D53	D53-K55 PolarHBondContact O-N 3.39Å
56	L	45.8	Very low	38.9	Very low	113 Å²	113	128.9 Å²	128.9	59%	0.592	69%	0.687	S	S	*	*			trans	-45.6	137.1	169.3	-81.4	123.6	0	0	0	111.8	E54 E60	E54-L56 PolarHBondContact O-N 3.03Å; L56-E60 HydrophobicContact CD2-CB 3.94Å; L56-E60 HydrophobicContact CD2-CG 4.44Å
57	T	47.4	Very low	39.3	Very low	81 Å²	81	126.8 Å²	126.8	50%	0.497	68%	0.675	S	S	.	*			trans	-80.8	152.7	-175.6	60.9	0	0	0	0	111.8	K59 E60 R61	T57-K59 PolarHBondContact O-N 2.97Å; T57-E60 PolarHBondContact N-OE2 3.14Å; T57-E60 PolarHBondContact O-N 3.4Å; T57-E60 PolarHBondContact OG1-OE2 3.1Å; T57-R61 PolarHBondContact O-N 3.33Å
58	D	47.7	Very low	40	Very low	115 Å²	115	121 Å²	121	62%	0.615	66%	0.656	S	S	*	*	H	α-helix	trans	-60	-14.5	-178.3	-73.6	-32.8	0	0	0	114.6	R62	D58-R62 PolarHBondContact O-N 3.3Å; D58-R62 PolarHBondContact O-NE 3.49Å
59	K	54.4	Low	40.4	Very low	146 Å²	146	121.5 Å²	121.5	64%	0.635	65%	0.651	S	S	*	*	H	α-helix	trans	-73.5	-45.2	172.8	-169	177.7	178.2	-176.4	0	111	T57 R61 R62 D63	T57-K59 PolarHBondContact O-N 2.97Å; K59-R61 VanDerWaalsContact C-N 3.29Å; K59-R61 PolarHBondContact O-N 3.11Å; K59-R62 PolarHBondContact O-N 3.27Å; K59-R62 VanDerWaalsContact O-N 3.11Å; K59-D63 PolarHBondContact O-N 2.8Å; K59-D63 VanDerWaalsContact O-N 3.1Å
60	E	53.8	Low	40.7	Very low	89 Å²	89	121.6 Å²	121.6	42%	0.416	65%	0.646	S	S	.	*	H	α-helix	trans	-65.3	-34.4	178.7	-65.1	165	128.5	0	0	111.3	L56 T57 I64	L56-E60 HydrophobicContact CD2-CB 3.94Å; L56-E60 HydrophobicContact CD2-CG 4.44Å; T57-E60 PolarHBondContact N-OE2 3.14Å; T57-E60 PolarHBondContact O-N 3.4Å; T57-E60 PolarHBondContact OG1-OE2 3.1Å; E60-I64 WeakPolarHBondContact O-CG1 3.45Å; E60-I64 PolarHBondContact O-N 3.46Å
61	R	47.6	Very low	41.1	Very low	165 Å²	165	122.2 Å²	122.2	62%	0.623	64%	0.638	S	S	*	*	H	α-helix	trans	-64.6	-37.3	172.8	-70.6	-176.5	174.7	-157.1	-3.5	113.1	T57 K59 M65	T57-R61 PolarHBondContact O-N 3.33Å; K59-R61 VanDerWaalsContact C-N 3.29Å; K59-R61 PolarHBondContact O-N 3.11Å; R61-M65 PolarHBondContact O-N 3.09Å
62	R	42.2	Very low	41.1	Very low	180 Å²	180	124.1 Å²	124.1	68%	0.679	63%	0.63	S	S	*	*	H	α-helix	trans	-72.4	-38.3	179.2	-88.6	-174.1	-81.6	176.5	-9	112.5	D58 K59 I64 M65 S66	D58-R62 PolarHBondContact O-N 3.3Å; D58-R62 PolarHBondContact O-NE 3.49Å; K59-R62 PolarHBondContact O-N 3.27Å; K59-R62 VanDerWaalsContact O-N 3.11Å; R62-I64 PolarHBondContact O-N 2.77Å; R62-M65 PolarHBondContact O-N 2.95Å; R62-S66 PolarHBondContact O-N 3.06Å
63	D	52.3	Low	41	Very low	95 Å²	95	128.9 Å²	128.9	51%	0.508	64%	0.635	S	S	.	*	H	α-helix	trans	-66.4	-39.1	180	-69.7	-18.1	0	0	0	111.4	K59 S66 S67	K59-D63 PolarHBondContact O-N 2.8Å; K59-D63 VanDerWaalsContact O-N 3.1Å; D63-S66 PolarHBondContact O-N 3.16Å; D63-S66 PolarHBondContact O-OG 3.08Å; D63-S67 PolarHBondContact O-N 3.27Å
64	I	45.5	Very low	41	Very low	113 Å²	113	128.6 Å²	128.6	58%	0.579	63%	0.632	S	S	*	*	H	α-helix	trans	-62	-45.6	174.6	-66.2	169.3	0	0	0	111.2	E60 R62 S66 S67 A68	E60-I64 WeakPolarHBondContact O-CG1 3.45Å; E60-I64 PolarHBondContact O-N 3.46Å; R62-I64 PolarHBondContact O-N 2.77Å; I64-S66 VanDerWaalsContact C-N 3.35Å; I64-S66 PolarHBondContact O-N 2.91Å; I64-S67 PolarHBondContact O-N 3.2Å; I64-S67 PolarHBondContact O-OG 2.76Å; I64-A68 PolarHBondContact O-N 2.88Å
65	M	38.9	Very low	40.7	Very low	141 Å²	141	125.1 Å²	125.1	70%	0.695	62%	0.624	S	S	*	*	H	α-helix	trans	-64.9	-35.1	178.1	-79.3	-127.9	-150.5	0	0	113.2	R61 R62 S67 A68 N69	R61-M65 PolarHBondContact O-N 3.09Å; R62-M65 PolarHBondContact O-N 2.95Å; M65-S67 VanDerWaalsContact C-N 3.34Å; M65-S67 PolarHBondContact O-N 3.21Å; M65-A68 PolarHBondContact O-N 2.71Å; M65-N69 PolarHBondContact O-N 3.45Å
66	S	44.8	Very low	40.1	Very low	64 Å²	64	123 Å²	123	45%	0.448	62%	0.622	S	S	.	*	H	α-helix	trans	-67.5	-35.6	178.4	83.4	0	0	0	0	112.3	R62 D63 I64 A68 N69 Q70	R62-S66 PolarHBondContact O-N 3.06Å; D63-S66 PolarHBondContact O-N 3.16Å; D63-S66 PolarHBondContact O-OG 3.08Å; I64-S66 VanDerWaalsContact C-N 3.35Å; I64-S66 PolarHBondContact O-N 2.91Å; S66-A68 PolarHBondContact O-N 2.97Å; S66-N69 PolarHBondContact O-N 3.2Å; S66-Q70 PolarHBondContact O-N 2.87Å
67	S	41.4	Very low	39.1	Very low	72 Å²	72	125 Å²	125	50%	0.503	63%	0.633	S	S	.	*	H	α-helix	trans	-69.4	-32.3	178.8	75.8	0	0	0	0	113	D63 I64 M65 S71	D63-S67 PolarHBondContact O-N 3.27Å; I64-S67 PolarHBondContact O-N 3.2Å; I64-S67 PolarHBondContact O-OG 2.76Å; M65-S67 VanDerWaalsContact C-N 3.34Å; M65-S67 PolarHBondContact O-N 3.21Å; S67-S71 PolarHBondContact O-OG 3.49Å
68	A	38.7	Very low	38.2	Very low	56 Å²	56	130.7 Å²	130.7	46%	0.463	65%	0.651	S	S	.	*	H	α-helix	trans	-72.9	-28.2	177.9	0	0	0	0	0	112.7	I64 M65 S66 S71	I64-A68 PolarHBondContact O-N 2.88Å; M65-A68 PolarHBondContact O-N 2.71Å; S66-A68 PolarHBondContact O-N 2.97Å; A68-S71 PolarHBondContact O-OG 3.41Å
69	N	33.5	Very low	37.1	Very low	106 Å²	106	133.8 Å²	133.8	57%	0.567	66%	0.662	S	S	*	*	H	α-helix	trans	-84.5	-27	179.8	-79.1	-22.7	0	0	0	113.6	M65 S66 S71 R72	M65-N69 PolarHBondContact O-N 3.45Å; S66-N69 PolarHBondContact O-N 3.2Å; N69-S71 VanDerWaalsContact C-N 3.3Å; N69-S71 PolarHBondContact O-N 3.39Å; N69-R72 PolarHBondContact O-N 3.29Å
70	Q	32.5	Very low	35.9	Very low	157 Å²	157	133 Å²	133	73%	0.734	67%	0.67	S	S	*	*	H	α-helix	trans	-71.1	-23	176.2	-78.8	-173.8	-3.9	0	0	113.6	S66 R72	S66-Q70 PolarHBondContact O-N 2.87Å; Q70-R72 VanDerWaalsContact C-N 3.31Å; Q70-R72 PolarHBondContact O-N 3.12Å
71	S	33.1	Very low	34.6	Very low	91 Å²	91	134 Å²	134	64%	0.636	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-9.3	179.3	24.2	0	0	0	0	114	S67 A68 N69	S67-S71 PolarHBondContact O-OG 3.49Å; A68-S71 PolarHBondContact O-OG 3.41Å; N69-S71 VanDerWaalsContact C-N 3.3Å; N69-S71 PolarHBondContact O-N 3.39Å
72	R	29.7	Very low	33.5	Very low	183 Å²	183	132.1 Å²	132.1	69%	0.691	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	-15.1	178.7	-91.6	179.2	172.8	174	-7.3	115.6	N69 Q70	N69-R72 PolarHBondContact O-N 3.29Å; Q70-R72 VanDerWaalsContact C-N 3.31Å; Q70-R72 PolarHBondContact O-N 3.12Å
73	F	28.5	Very low	32.8	Very low	189 Å²	189	128.6 Å²	128.6	83%	0.829	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	1.9	-174.2	-93.8	-80.9	0	0	0	116.1
74	L	29.3	Very low	31.6	Very low	159 Å²	159	129.8 Å²	129.8	83%	0.832	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	17.7	-177.6	-75.1	176.5	0	0	0	116.2
75	V	28.9	Very low	30.8	Very low	120 Å²	120	131.2 Å²	131.2	73%	0.727	73%	0.731	S	S	*	*	S	Bend	trans	-106.6	-11.6	-179.3	-178.1	0	0	0	0	115.1
76	N	27.2	Very low	30.3	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	73%	0.733	S	S	*	*	S	Bend	trans	-116.1	67.8	-178.1	-76.9	-16.3	0	0	0	113.5
77	N	24.9	Very low	29.6	Very low	154 Å²	154	134 Å²	134	82%	0.824	75%	0.754	S	S	*	*			trans	-158.8	28	161.2	-99.5	-21.2	0	0	0	116.1	Q79	N77-Q79 VanDerWaalsContact C-N 3.31Å; N77-Q79 PolarHBondContact O-N 2.78Å
78	F	26.8	Very low	29	Very low	201 Å²	201	136.3 Å²	136.3	88%	0.882	77%	0.771	S	S	*	*			trans	-87.9	75	162.8	-81.7	-78.5	0	0	0	110.3	T80	F78-T80 PolarHBondContact O-N 2.7Å
79	Q	25.9	Very low	28.6	Very low	181 Å²	181	137.7 Å²	137.7	85%	0.846	78%	0.782	S	S	*	*			trans	-67.7	105.1	153	-83	-175.8	-11.7	0	0	107.1	N77 S81	N77-Q79 VanDerWaalsContact C-N 3.31Å; N77-Q79 PolarHBondContact O-N 2.78Å; Q79-S81 PolarHBondContact O-N 3.18Å
80	T	28.3	Very low	28.7	Very low	130 Å²	130	138.1 Å²	138.1	80%	0.798	79%	0.785	S	S	*	*			trans	-65.7	104	176.7	43	0	0	0	0	109.1	F78 S82	F78-T80 PolarHBondContact O-N 2.7Å; T80-S82 PolarHBondContact O-N 2.89Å; T80-S82 VanDerWaalsContact O-N 3.1Å
81	S	25.8	Very low	28.7	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	79%	0.792	S	S	*	*			trans	-63.5	109.8	165.4	46.7	0	0	0	0	108.4	Q79 S83	Q79-S81 PolarHBondContact O-N 3.18Å; S81-S83 PolarHBondContact O-N 3.36Å
82	S	25.4	Very low	28.8	Very low	125 Å²	125	137.9 Å²	137.9	87%	0.874	79%	0.788	S	S	*	*			trans	-57.8	101.8	174.2	53.3	0	0	0	0	110.1	T80	T80-S82 PolarHBondContact O-N 2.89Å; T80-S82 VanDerWaalsContact O-N 3.1Å
83	S	27.1	Very low	29.1	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	78%	0.78	S	S	*	*			trans	-111.1	123.6	162.2	55	0	0	0	0	108.9	S81 V85	S81-S83 PolarHBondContact O-N 3.36Å; S83-V85 PolarHBondContact O-N 3.34Å
84	S	27.4	Very low	29.4	Very low	120 Å²	120	129.8 Å²	129.8	84%	0.839	77%	0.766	S	S	*	*			trans	-56.8	119.1	-174.9	50.2	0	0	0	0	113.4
85	V	28.3	Very low	29.8	Very low	142 Å²	142	125.1 Å²	125.1	86%	0.861	75%	0.751	S	S	*	*			trans	-136.3	110.6	160.3	-178.3	0	0	0	0	109.7	S83	S83-V85 PolarHBondContact O-N 3.34Å
86	G	28.3	Very low	30.2	Very low	72 Å²	72	124.3 Å²	124.3	74%	0.742	74%	0.741	S	S	*	*			trans	71.9	95.5	134.3	0	0	0	0	0	118.5	S88	G86-S88 PolarHBondContact O-N 3.31Å
87	Q	29.7	Very low	30.7	Very low	191 Å²	191	124.9 Å²	124.9	89%	0.893	74%	0.737	S	S	*	*			trans	-63.6	107.3	169.8	-65.1	168.1	-18.8	0	0	112.6
88	S	30.6	Very low	31.3	Very low	122 Å²	122	124.2 Å²	124.2	85%	0.853	73%	0.728	S	S	*	*			trans	-165.8	56.9	148.8	71.3	0	0	0	0	112.7	G86	G86-S88 PolarHBondContact O-N 3.31Å
89	A	30.4	Very low	31.7	Very low	84 Å²	84	122.6 Å²	122.6	69%	0.694	73%	0.726	S	S	*	*			trans	-151.5	26.6	171	0	0	0	0	0	113.3
90	N	33.9	Very low	32.1	Very low	116 Å²	116	124.3 Å²	124.3	62%	0.62	72%	0.724	S	S	*	*			trans	-102.5	17	-167.8	-94.1	-12.6	0	0	0	116.5
91	Q	33.6	Very low	32.3	Very low	189 Å²	189	126.9 Å²	126.9	88%	0.883	73%	0.725	S	S	*	*	S	Bend	trans	-88.4	-28.9	171.3	-74.1	-171.5	-6.4	0	0	113.8
92	G	34.6	Very low	32.5	Very low	54 Å²	54	127.2 Å²	127.2	56%	0.557	72%	0.722	S	S	*	*	H	α-helix	trans	-74.2	-35.8	174	0	0	0	0	0	113.9
93	N	36.1	Very low	32.7	Very low	99 Å²	99	129.5 Å²	129.5	53%	0.529	72%	0.716	S	S	.	*	H	α-helix	trans	-83.1	-10.7	-176.8	-82.1	-30.4	0	0	0	114.6	K97	N93-K97 PolarHBondContact O-N 3Å
94	L	35.3	Very low	32.7	Very low	103 Å²	103	133.9 Å²	133.9	54%	0.539	73%	0.725	S	S	.	*	H	α-helix	trans	-77.4	-31.7	175.7	-154.4	72.4	0	0	0	111.9	K97 Q98	L94-K97 PolarHBondContact O-N 2.91Å; L94-Q98 PolarHBondContact O-N 3.18Å
95	A	36.9	Very low	32.9	Very low	61 Å²	61	136 Å²	136	50%	0.504	72%	0.72	S	S	.	*	H	α-helix	trans	-66	-40.2	173.9	0	0	0	0	0	111.7	K97 Q98 M99	A95-K97 VanDerWaalsContact C-N 3.34Å; A95-K97 PolarHBondContact O-N 3.24Å; A95-Q98 PolarHBondContact O-N 3.01Å; A95-M99 PolarHBondContact O-N 2.82Å
96	I	38.5	Very low	32.9	Very low	102 Å²	102	134.6 Å²	134.6	52%	0.523	71%	0.713	S	S	.	*	H	α-helix	trans	-70.3	-30.4	176.6	-61.3	176.3	0	0	0	111.5
97	K	37.9	Very low	32.9	Very low	161 Å²	161	138 Å²	138	70%	0.7	72%	0.715	S	S	*	*	H	α-helix	trans	-79.1	-31	174.6	-101.3	-179.1	176.2	176.8	0	114.1	N93 L94 A95	N93-K97 PolarHBondContact O-N 3Å; L94-K97 PolarHBondContact O-N 2.91Å; A95-K97 VanDerWaalsContact C-N 3.34Å; A95-K97 PolarHBondContact O-N 3.24Å
98	Q	36	Very low	33	Very low	139 Å²	139	136.6 Å²	136.6	65%	0.65	71%	0.711	S	S	*	*	H	α-helix	trans	-75.8	-33.9	177	-83.4	-178.4	-20.7	0	0	112.7	L94 A95 R100 K101	L94-Q98 PolarHBondContact O-N 3.18Å; A95-Q98 PolarHBondContact O-N 3.01Å; Q98-R100 PolarHBondContact O-N 3.02Å; Q98-K101 PolarHBondContact O-N 3.17Å
99	M	35	Very low	33	Very low	168 Å²	168	137 Å²	137	83%	0.828	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-66.6	-17.4	173.7	-80.6	-170.6	170.2	0	0	114	A95	A95-M99 PolarHBondContact O-N 2.82Å
100	R	35.7	Very low	32.9	Very low	216 Å²	216	141.2 Å²	141.2	82%	0.815	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-85.4	0.1	174.9	-75.1	-172.4	179.3	177.8	2	114.8	Q98	Q98-R100 PolarHBondContact O-N 3.02Å
101	K	32.6	Very low	32.7	Very low	184 Å²	184	140.3 Å²	140.3	80%	0.8	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-105.4	5.9	-178.5	-87.5	-165.3	174.4	-169.9	0	116.5	Q98	Q98-K101 PolarHBondContact O-N 3.17Å
102	T	29	Very low	32.5	Very low	118 Å²	118	137 Å²	137	72%	0.724	71%	0.713	S	S	*	*	S	Bend	trans	-127.2	74.8	174.4	52.8	0	0	0	0	110.8
103	K	30.6	Very low	32.2	Very low	172 Å²	172	142.4 Å²	142.4	75%	0.748	73%	0.728	S	S	*	*			trans	-172.1	79.5	154.9	-104.6	169.2	-175.2	-173.8	0	106.1	F105	K103-F105 VanDerWaalsContact C-N 3.32Å; K103-F105 HydrophobicContact CB-CD2 4.16Å; K103-F105 HydrophobicContact CB-CE2 4.02Å; K103-F105 HydrophobicContact CD-CE2 4.13Å; K103-F105 HydrophobicContact CG-CE2 4.14Å; K103-F105 PolarHBondContact O-N 3.19Å
104	E	27.2	Very low	31.8	Very low	199 Å²	199	146.6 Å²	146.6	93%	0.93	74%	0.741	S	S	*	*			trans	-58.2	98.5	165	-72.2	176.3	161.1	0	0	107.6
105	F	30.5	Very low	31.4	Very low	165 Å²	165	150.8 Å²	150.8	72%	0.724	76%	0.755	S	S	*	*			trans	-95.2	133.6	159.3	-79.4	-82.3	0	0	0	106.9	K103 D107	K103-F105 VanDerWaalsContact C-N 3.32Å; K103-F105 HydrophobicContact CB-CD2 4.16Å; K103-F105 HydrophobicContact CB-CE2 4.02Å; K103-F105 HydrophobicContact CD-CE2 4.13Å; K103-F105 HydrophobicContact CG-CE2 4.14Å; K103-F105 PolarHBondContact O-N 3.19Å; F105-D107 PolarHBondContact O-N 2.99Å
106	P	28.7	Very low	30.9	Very low	112 Å²	112	159 Å²	159	73%	0.727	77%	0.773	S	S	*	*			trans	-63.2	136.9	-171.6	24.5	-32.1	0	0	0	111.4	I108	P106-I108 PolarHBondContact O-N 3.49Å
107	D	28.8	Very low	30.3	Very low	143 Å²	143	162.3 Å²	162.3	77%	0.765	79%	0.787	S	S	*	*			trans	-49.8	102.8	177.7	-93.4	-51.3	0	0	0	111.9	F105 N109	F105-D107 PolarHBondContact O-N 2.99Å; D107-N109 VanDerWaalsContact C-N 3.32Å; D107-N109 PolarHBondContact O-N 2.82Å
108	I	32	Very low	29.8	Very low	161 Å²	161	161.3 Å²	161.3	83%	0.826	79%	0.794	S	S	*	*			trans	-95.9	73.1	158.7	-59.9	174.9	0	0	0	105.8	P106	P106-I108 PolarHBondContact O-N 3.49Å
109	N	29.4	Very low	29.3	Very low	131 Å²	131	162.8 Å²	162.8	70%	0.701	80%	0.801	S	S	*	*			trans	-124.3	19.5	175	-92	-34.6	0	0	0	113.2	D107	D107-N109 VanDerWaalsContact C-N 3.32Å; D107-N109 PolarHBondContact O-N 2.82Å
110	D	28.7	Very low	28.9	Very low	172 Å²	172	163.5 Å²	163.5	92%	0.92	80%	0.802	S	S	*	*			trans	-104.7	70.2	163.9	-84.4	-22.7	0	0	0	110.3
111	S	28.6	Very low	28.5	Very low	98 Å²	98	162 Å²	162	69%	0.685	80%	0.798	S	S	*	*	S	Bend	trans	-154.3	119.2	151.7	-174.5	0	0	0	0	109	L113	S111-L113 PolarHBondContact O-N 3.43Å
112	P	31	Very low	28.6	Very low	119 Å²	119	158.4 Å²	158.4	77%	0.773	79%	0.794	S	S	*	*			trans	-72.2	108.7	-167.6	27.8	-31.5	0	0	0	110.3	K114	P112-K114 VanDerWaalsContact C-N 3.27Å; P112-K114 PolarHBondContact O-N 3.09Å
113	L	26.8	Very low	28.8	Very low	168 Å²	168	161.7 Å²	161.7	88%	0.88	79%	0.793	S	S	*	*			trans	-60.3	89.8	164.2	-76.9	159.9	0	0	0	108.9	S111 K115	S111-L113 PolarHBondContact O-N 3.43Å; L113-K115 PolarHBondContact O-N 3.24Å; L113-K115 VanDerWaalsContact O-N 3.08Å
114	K	28.5	Very low	28.7	Very low	186 Å²	186	163.1 Å²	163.1	81%	0.809	80%	0.802	S	S	*	*			trans	-56.8	112.5	163.3	-93.2	-177.3	172.5	-178.3	0	107.6	P112 W116	P112-K114 VanDerWaalsContact C-N 3.27Å; P112-K114 PolarHBondContact O-N 3.09Å; K114-W116 VanDerWaalsContact O-CD1 3.23Å; K114-W116 PolarHBondContact O-N 2.95Å
115	K	26.9	Very low	28.7	Very low	192 Å²	192	157.9 Å²	157.9	84%	0.835	79%	0.788	S	S	*	*			trans	-51	121.9	165.6	-85.7	176.3	169.9	179.2	0	108.6	L113 E117	L113-K115 PolarHBondContact O-N 3.24Å; L113-K115 VanDerWaalsContact O-N 3.08Å; K115-E117 PolarHBondContact O-N 2.64Å
116	W	25.6	Very low	28.7	Very low	232 Å²	232	157.8 Å²	157.8	88%	0.879	80%	0.795	S	S	*	*			trans	-77.2	96.8	168.5	-69	58.3	0	0	0	106.4	K114 T118	K114-W116 VanDerWaalsContact O-CD1 3.23Å; K114-W116 PolarHBondContact O-N 2.95Å; W116-T118 PolarHBondContact O-N 2.78Å
117	E	27.5	Very low	28.8	Very low	172 Å²	172	162.7 Å²	162.7	80%	0.804	80%	0.8	S	S	*	*			trans	-70.3	123.1	159.4	-74.8	179.6	172.5	0	0	106.8	K115 E119	K115-E117 PolarHBondContact O-N 2.64Å; E117-E119 PolarHBondContact O-N 3.4Å
118	T	26.3	Very low	28.8	Very low	141 Å²	141	164.9 Å²	164.9	87%	0.865	81%	0.806	S	S	*	*			trans	-63.7	93.1	178.3	38.5	0	0	0	0	109.9	W116	W116-T118 PolarHBondContact O-N 2.78Å
119	E	25.5	Very low	28.6	Very low	169 Å²	169	164.2 Å²	164.2	79%	0.79	80%	0.801	S	S	*	*			trans	-78	121	162.4	-74.3	-175.2	166.9	0	0	108.8	E117 Y121	E117-E119 PolarHBondContact O-N 3.4Å; E119-Y121 WeakPolarHBondContact O-CD2 3.19Å; E119-Y121 PolarHBondContact O-N 3.28Å
120	E	26.3	Very low	28.7	Very low	183 Å²	183	159.8 Å²	159.8	86%	0.855	79%	0.787	S	S	*	*			trans	-58.5	121.5	173.2	-67.8	177.1	151.1	0	0	109.5	P122	E120-P122 WeakPolarHBondContact O-CD 3.44Å
121	Y	27.7	Very low	29.2	Very low	184 Å²	184	156.7 Å²	156.7	72%	0.722	78%	0.776	S	S	*	*			trans	-81.2	112.5	-178	-72.2	-92	0	0	0	111.3	E119 W123	E119-Y121 WeakPolarHBondContact O-CD2 3.19Å; E119-Y121 PolarHBondContact O-N 3.28Å; Y121-W123 AromaticContact CD1-CH2 3.49Å; Y121-W123 HydrophobicContact CD1-CH2 3.49Å; Y121-W123 VanDerWaalsContact CD1-CH2 3.49Å; Y121-W123 AromaticContact CD1-CZ2 3.88Å; Y121-W123 HydrophobicContact CD1-CZ2 3.88Å; Y121-W123 HydrophobicContact CD1-CZ3 4.07Å; Y121-W123 AromaticContact CE1-CH2 3.98Å; Y121-W123 HydrophobicContact CE1-CH2 3.98Å; Y121-W123 HydrophobicContact CE1-CZ2 4.42Å
122	P	35	Very low	29.5	Very low	110 Å²	110	158 Å²	158	71%	0.714	78%	0.775	S	S	*	*			trans	-115.4	93.2	175.6	26.7	-3.5	0	0	0	109.6	E120	E120-P122 WeakPolarHBondContact O-CD 3.44Å
123	W	32.6	Very low	29.9	Very low	186 Å²	186	155.9 Å²	155.9	71%	0.705	76%	0.76	S	S	*	*			trans	-156.4	88.9	156.3	53.3	86.8	0	0	0	112.1	Y121	Y121-W123 AromaticContact CD1-CH2 3.49Å; Y121-W123 HydrophobicContact CD1-CH2 3.49Å; Y121-W123 VanDerWaalsContact CD1-CH2 3.49Å; Y121-W123 AromaticContact CD1-CZ2 3.88Å; Y121-W123 HydrophobicContact CD1-CZ2 3.88Å; Y121-W123 HydrophobicContact CD1-CZ3 4.07Å; Y121-W123 AromaticContact CE1-CH2 3.98Å; Y121-W123 HydrophobicContact CE1-CH2 3.98Å; Y121-W123 HydrophobicContact CE1-CZ2 4.42Å
124	E	28.7	Very low	30.4	Very low	202 Å²	202	153.3 Å²	153.3	94%	0.944	75%	0.746	S	S	*	*			trans	-103.3	83.6	140.5	-83.5	-173.6	164.9	0	0	106.8
125	S	27.6	Very low	30.8	Very low	89 Å²	89	150 Å²	150	62%	0.622	74%	0.737	S	S	*	*	S	Bend	trans	-164.4	113.9	156.6	49.9	0	0	0	0	111.2
126	D	30.9	Very low	31.2	Very low	163 Å²	163	148.2 Å²	148.2	87%	0.872	74%	0.736	S	S	*	*			trans	44	73.4	150	-58.8	-23.1	0	0	0	118.6
127	Y	29.3	Very low	31.8	Very low	215 Å²	215	143.2 Å²	143.2	84%	0.843	72%	0.722	S	S	*	*			trans	-103.4	100.2	156.6	-97.7	-91.3	0	0	0	110.7	M129	Y127-M129 PolarHBondContact O-N 3.28Å
128	Q	29.1	Very low	32.2	Very low	190 Å²	190	138.4 Å²	138.4	89%	0.888	70%	0.702	S	S	*	*			trans	-61.9	112	159.4	-75	-178.4	-18.7	0	0	108.4	G130	Q128-G130 PolarHBondContact O-N 3.33Å; Q128-G130 VanDerWaalsContact O-N 3.15Å
129	M	28.5	Very low	32.6	Very low	147 Å²	147	140 Å²	140	72%	0.724	70%	0.699	S	S	*	*			trans	-57.6	110.3	180	-77	-78.2	-52.3	0	0	111.6	Y127 T133	Y127-M129 PolarHBondContact O-N 3.28Å; M129-T133 HydrophobicContact CE-CG2 4.44Å
130	G	31.7	Very low	33.3	Very low	38 Å²	38	135.9 Å²	135.9	39%	0.392	68%	0.682	S	S	.	*			trans	-77.2	153.2	169	0	0	0	0	0	112.4	Q128 D132	Q128-G130 PolarHBondContact O-N 3.33Å; Q128-G130 VanDerWaalsContact O-N 3.15Å; G130-D132 VanDerWaalsContact C-N 3.29Å; G130-D132 PolarHBondContact O-N 3.18Å
131	P	39.4	Very low	33.8	Very low	106 Å²	106	131.8 Å²	131.8	69%	0.688	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-18.9	-169.3	23.1	-31.6	0	0	0	115.5	T133 L134	P131-T133 VanDerWaalsContact C-N 3.31Å; P131-T133 PolarHBondContact O-N 2.8Å; P131-L134 PolarHBondContact O-N 3Å
132	D	34.6	Very low	34.4	Very low	127 Å²	127	125 Å²	125	68%	0.679	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-16.7	-175	-67.9	-28.4	0	0	0	114	G130 L134 L135	G130-D132 VanDerWaalsContact C-N 3.29Å; G130-D132 PolarHBondContact O-N 3.18Å; D132-L134 PolarHBondContact O-N 3.21Å; D132-L135 PolarHBondContact O-N 3.18Å
133	T	38.5	Very low	34.8	Very low	73 Å²	73	121.9 Å²	121.9	45%	0.448	63%	0.632	S	S	.	*	H	α-helix	trans	-71.6	-19	176	-35.2	0	0	0	0	112.5	M129 P131	M129-T133 HydrophobicContact CE-CG2 4.44Å; P131-T133 VanDerWaalsContact C-N 3.31Å; P131-T133 PolarHBondContact O-N 2.8Å
134	L	38.4	Very low	35.3	Very low	114 Å²	114	118.4 Å²	118.4	60%	0.597	62%	0.624	S	S	*	*	H	α-helix	trans	-73.1	-25.9	178	-85.3	161	0	0	0	113.4	P131 D132	P131-L134 PolarHBondContact O-N 3Å; D132-L134 PolarHBondContact O-N 3.21Å
135	L	36.6	Very low	36	Very low	117 Å²	117	112.3 Å²	112.3	61%	0.613	60%	0.595	S	S	*	*	H	α-helix	trans	-77.8	-31.7	-177.1	-91.5	158.1	0	0	0	113	D132 Q137 L138	D132-L135 PolarHBondContact O-N 3.18Å; L135-Q137 VanDerWaalsContact C-N 3.35Å; L135-Q137 PolarHBondContact O-N 3.1Å; L135-L138 HydrophobicContact CD2-CD1 4.18Å; L135-L138 PolarHBondContact O-N 3.43Å
136	L	36.2	Very low	37.1	Very low	155 Å²	155	110.1 Å²	110.1	81%	0.812	57%	0.573	S	S	*	*	H	α-helix	trans	-75.8	-20.6	179.5	-78.9	160.2	0	0	0	113.5
137	Q	37	Very low	37.8	Very low	126 Å²	126	108.5 Å²	108.5	59%	0.589	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-82.6	-13	175.9	-71.7	-172.1	-16.5	0	0	114.1	L135 H139	L135-Q137 VanDerWaalsContact C-N 3.35Å; L135-Q137 PolarHBondContact O-N 3.1Å; Q137-H139 VanDerWaalsContact C-N 3.25Å; Q137-H139 PolarHBondContact O-N 3.25Å
138	L	36.5	Very low	38.5	Very low	72 Å²	72	106 Å²	106	38%	0.377	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-71.9	-17.5	-177.9	-80.4	164.1	0	0	0	113.9	L135	L135-L138 HydrophobicContact CD2-CD1 4.18Å; L135-L138 PolarHBondContact O-N 3.43Å
139	H	34.9	Very low	39.1	Very low	174 Å²	174	99.1 Å²	99.1	81%	0.806	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-99.2	2.3	-177.6	-77.6	-72	0	0	0	114.8	Q137 P141	Q137-H139 VanDerWaalsContact C-N 3.25Å; Q137-H139 PolarHBondContact O-N 3.25Å; H139-P141 VanDerWaalsContact O-CD 3.27Å; H139-P141 WeakPolarHBondContact O-CD 3.48Å
140	D	39.1	Very low	39.8	Very low	82 Å²	82	95 Å²	95	44%	0.439	50%	0.497	S	S	.	.			trans	-73.5	116.9	174	-171.3	-20.8	0	0	0	109.9	A142 V143 H144	D140-A142 PolarHBondContact O-N 2.9Å; D140-A142 VanDerWaalsContact O-N 3.1Å; D140-A142 VanDerWaalsContact OD1-CB 3.3Å; D140-A142 WeakPolarHBondContact OD1-CB 3.48Å; D140-A142 PolarHBondContact OD1-N 2.69Å; D140-V143 HydrophobicContact CB-CB 4.3Å; D140-V143 HydrophobicContact CB-CG2 3.9Å; D140-V143 WeakPolarHBondContact O-CB 3.27Å; D140-V143 PolarHBondContact O-N 3.02Å; D140-H144 PolarHBondContact O-N 3.07Å; D140-H144 VanDerWaalsContact O-N 3.14Å
141	P	38.3	Very low	40.1	Very low	97 Å²	97	97.4 Å²	97.4	63%	0.63	50%	0.501	S	S	*	.	H	α-helix	trans	-53.9	-31	177.5	-23.7	33.8	0	0	0	113	H139 V143 H144 E145	H139-P141 VanDerWaalsContact O-CD 3.27Å; H139-P141 WeakPolarHBondContact O-CD 3.48Å; P141-V143 VanDerWaalsContact C-N 3.34Å; P141-V143 PolarHBondContact O-N 3.12Å; P141-H144 PolarHBondContact O-N 3.08Å; P141-E145 PolarHBondContact O-N 3.21Å
142	A	40.3	Very low	40	Very low	41 Å²	41	97.1 Å²	97.1	34%	0.339	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-35.8	177.3	0	0	0	0	0	112	D140 R146	D140-A142 PolarHBondContact O-N 2.9Å; D140-A142 VanDerWaalsContact O-N 3.1Å; D140-A142 VanDerWaalsContact OD1-CB 3.3Å; D140-A142 WeakPolarHBondContact OD1-CB 3.48Å; D140-A142 PolarHBondContact OD1-N 2.69Å; A142-R146 WeakPolarHBondContact O-CB 3.25Å; A142-R146 WeakPolarHBondContact O-CD 3.48Å; A142-R146 WeakPolarHBondContact O-CG 3.39Å; A142-R146 PolarHBondContact O-N 3.25Å
143	V	42.8	Very low	40.4	Very low	45 Å²	45	92.5 Å²	92.5	27%	0.273	47%	0.468	S	S	.	.	H	α-helix	trans	-72.3	-41.5	175.8	177.1	0	0	0	0	110.5	D140 P141 R146 R147	D140-V143 HydrophobicContact CB-CB 4.3Å; D140-V143 HydrophobicContact CB-CG2 3.9Å; D140-V143 WeakPolarHBondContact O-CB 3.27Å; D140-V143 PolarHBondContact O-N 3.02Å; P141-V143 VanDerWaalsContact C-N 3.34Å; P141-V143 PolarHBondContact O-N 3.12Å; V143-R146 PolarHBondContact O-N 2.98Å; V143-R147 WeakPolarHBondContact O-CG 3.26Å; V143-R147 PolarHBondContact O-N 2.89Å
144	H	42.1	Very low	40.4	Very low	113 Å²	113	93 Å²	93	52%	0.523	47%	0.474	S	S	.	.	H	α-helix	trans	-67	-37.5	179.9	-146.2	64.3	0	0	0	112.3	D140 P141 R148	D140-H144 PolarHBondContact O-N 3.07Å; D140-H144 VanDerWaalsContact O-N 3.14Å; P141-H144 PolarHBondContact O-N 3.08Å; H144-R148 PolarHBondContact O-N 3.12Å
145	E	45.3	Very low	40.3	Very low	74 Å²	74	90.4 Å²	90.4	35%	0.346	47%	0.466	S	S	.	.	H	α-helix	trans	-72.3	-40.2	172.7	-80.7	-170.3	164.3	0	0	113.3	P141 R147 R148 F149 Q691	P141-E145 PolarHBondContact O-N 3.21Å; E145-R147 PolarHBondContact O-N 3.02Å; E145-R148 WeakPolarHBondContact O-CB 3.38Å; E145-R148 PolarHBondContact O-N 3.23Å; E145-R148 VanDerWaalsContact O-N 3.1Å; E145-F149 VanDerWaalsContact O-CD2 3.26Å; E145-F149 WeakPolarHBondContact O-CD2 3.41Å; E145-F149 PolarHBondContact O-N 3.12Å; E145-Q691 PolarHBondContact OE2-NE2 3.2Å
146	R	49.3	Very low	40.3	Very low	44 Å²	44	88.2 Å²	88.2	17%	0.166	46%	0.455	C	S	.	.	H	α-helix	trans	-56.5	-40.2	172.5	-79.5	172.6	-175.9	-122.8	-15.7	111.4	A142 V143 F149 S150 I685 F686 S687 L694	A142-R146 WeakPolarHBondContact O-CB 3.25Å; A142-R146 WeakPolarHBondContact O-CD 3.48Å; A142-R146 WeakPolarHBondContact O-CG 3.39Å; A142-R146 PolarHBondContact O-N 3.25Å; V143-R146 PolarHBondContact O-N 2.98Å; R146-F149 PolarHBondContact O-N 3.16Å; R146-S150 PolarHBondContact O-N 3.26Å; R146-I685 PolarHBondContact NH1-O 2.96Å; R146-F686 PolarHBondContact NH2-O 3.23Å; R146-S687 VanDerWaalsContact NH2-C 3.32Å; R146-S687 PolarHBondContact NH2-O 2.94Å; R146-L694 HydrophobicContact CG-CD2 4.5Å
147	R	45.3	Very low	40.1	Very low	128 Å²	128	89 Å²	89	48%	0.483	45%	0.454	S	S	.	.	H	α-helix	trans	-65.8	-46.1	171.9	-74.6	-174.8	-173.7	168.1	4.7	112.3	V143 E145 F149 S150 D151	V143-R147 WeakPolarHBondContact O-CG 3.26Å; V143-R147 PolarHBondContact O-N 2.89Å; E145-R147 PolarHBondContact O-N 3.02Å; R147-F149 PolarHBondContact O-N 3.25Å; R147-F149 VanDerWaalsContact O-N 3.14Å; R147-S150 CarbonylContact O-C 3.59Å; R147-S150 WeakPolarHBondContact O-CA 3.45Å; R147-S150 WeakPolarHBondContact O-CB 3.31Å; R147-S150 PolarHBondContact O-N 3.46Å; R147-D151 VanDerWaalsContact O-CG 3.26Å; R147-D151 PolarHBondContact O-N 3.1Å
148	R	43.9	Very low	39.8	Very low	163 Å²	163	91.1 Å²	91.1	62%	0.615	47%	0.466	S	S	*	.	H	α-helix	trans	-54	-34.8	173.6	-91.4	-172.6	175.8	-173.7	-0.5	113.3	H144 E145 D151 L152	H144-R148 PolarHBondContact O-N 3.12Å; E145-R148 WeakPolarHBondContact O-CB 3.38Å; E145-R148 PolarHBondContact O-N 3.23Å; E145-R148 VanDerWaalsContact O-N 3.1Å; R148-D151 PolarHBondContact O-N 2.98Å; R148-L152 VanDerWaalsContact O-CB 3.31Å; R148-L152 WeakPolarHBondContact O-CB 3.3Å; R148-L152 WeakPolarHBondContact O-CD1 3.49Å; R148-L152 VanDerWaalsContact O-CG 3.25Å; R148-L152 WeakPolarHBondContact O-CG 3.33Å; R148-L152 PolarHBondContact O-N 3.13Å
149	F	43.4	Very low	39.5	Very low	45 Å²	45	94.6 Å²	94.6	20%	0.197	49%	0.485	C	S	.	.	H	α-helix	trans	-72.5	-36.1	175.5	-83	-76	0	0	0	112.8	E145 R146 R147 D151 L152 L153 L694 R695	E145-F149 VanDerWaalsContact O-CD2 3.26Å; E145-F149 WeakPolarHBondContact O-CD2 3.41Å; E145-F149 PolarHBondContact O-N 3.12Å; R146-F149 PolarHBondContact O-N 3.16Å; R147-F149 PolarHBondContact O-N 3.25Å; R147-F149 VanDerWaalsContact O-N 3.14Å; F149-D151 VanDerWaalsContact C-N 3.35Å; F149-L152 HydrophobicContact CD1-CD1 4.49Å; F149-L152 PolarHBondContact O-N 3.29Å; F149-L153 WeakPolarHBondContact O-CG 3.41Å; F149-L153 PolarHBondContact O-N 3.17Å; F149-L694 HydrophobicContact CD2-CD2 4.35Å; F149-R695 HydrophobicContact CE1-CB 4.4Å; F149-R695 HydrophobicContact CE1-CG 4.34Å; F149-R695 HydrophobicContact CZ-CB 4.28Å; F149-R695 HydrophobicContact CZ-CG 4.44Å
150	S	42.4	Very low	39.4	Very low	60 Å²	60	90.8 Å²	90.8	42%	0.42	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-41.1	169.1	-168.1	0	0	0	0	111.1	R146 R147 L153 S154	R146-S150 PolarHBondContact O-N 3.26Å; R147-S150 CarbonylContact O-C 3.59Å; R147-S150 WeakPolarHBondContact O-CA 3.45Å; R147-S150 WeakPolarHBondContact O-CB 3.31Å; R147-S150 PolarHBondContact O-N 3.46Å; S150-L153 WeakPolarHBondContact O-CB 3.35Å; S150-L153 PolarHBondContact O-N 3.14Å; S150-L153 VanDerWaalsContact O-N 3.11Å; S150-S154 PolarHBondContact O-N 3.06Å; S150-S154 VanDerWaalsContact O-N 3.09Å
151	D	37.4	Very low	39.2	Very low	90 Å²	90	91.9 Å²	91.9	48%	0.481	49%	0.494	S	S	.	.	H	α-helix	trans	-68	-35.7	176.9	-62.1	-28.5	0	0	0	111.8	R147 R148 F149 L153 S154 S155	R147-D151 VanDerWaalsContact O-CG 3.26Å; R147-D151 PolarHBondContact O-N 3.1Å; R148-D151 PolarHBondContact O-N 2.98Å; F149-D151 VanDerWaalsContact C-N 3.35Å; D151-L153 PolarHBondContact O-N 3.06Å; D151-S154 WeakPolarHBondContact CA-OG 3.47Å; D151-S154 CarbonylContact O-C 3.51Å; D151-S154 PolarHBondContact O-N 3.48Å; D151-S154 VanDerWaalsContact O-N 3.16Å; D151-S154 PolarHBondContact O-OG 3.04Å; D151-S154 VanDerWaalsContact O-OG 3.06Å; D151-S155 WeakPolarHBondContact O-CA 3.16Å; D151-S155 WeakPolarHBondContact O-CB 3.37Å; D151-S155 PolarHBondContact O-N 3.26Å; D151-S155 PolarHBondContact O-OG 3.36Å; D151-S155 VanDerWaalsContact O-OG 3.05Å
152	L	38.7	Very low	39.1	Very low	100 Å²	100	90.5 Å²	90.5	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-69.9	-12.7	172.8	-81.2	163.7	0	0	0	113.6	R148 F149 S155 K702	R148-L152 VanDerWaalsContact O-CB 3.31Å; R148-L152 WeakPolarHBondContact O-CB 3.3Å; R148-L152 WeakPolarHBondContact O-CD1 3.49Å; R148-L152 VanDerWaalsContact O-CG 3.25Å; R148-L152 WeakPolarHBondContact O-CG 3.33Å; R148-L152 PolarHBondContact O-N 3.13Å; F149-L152 HydrophobicContact CD1-CD1 4.49Å; F149-L152 PolarHBondContact O-N 3.29Å; L152-S155 WeakPolarHBondContact CA-OG 3.49Å; L152-K702 PolarHBondContact O-NZ 2.73Å; L152-K702 VanDerWaalsContact O-NZ 3.15Å
153	L	41.3	Very low	39	Very low	29 Å²	29	93.9 Å²	93.9	15%	0.152	50%	0.504	C	S	.	.	H	α-helix	trans	-89.4	-35.7	169.3	-70	159.7	0	0	0	110.6	F149 S150 D151 L680 K702	F149-L153 WeakPolarHBondContact O-CG 3.41Å; F149-L153 PolarHBondContact O-N 3.17Å; S150-L153 WeakPolarHBondContact O-CB 3.35Å; S150-L153 PolarHBondContact O-N 3.14Å; S150-L153 VanDerWaalsContact O-N 3.11Å; D151-L153 PolarHBondContact O-N 3.06Å; L153-L680 HydrophobicContact CD1-CD2 3.86Å; L153-K702 HydrophobicContact CD2-CD 3.99Å
154	S	40	Very low	39	Very low	83 Å²	83	94.7 Å²	94.7	58%	0.58	52%	0.515	S	S	*	.	H	α-helix	trans	-82.1	-25.7	176.9	66.4	0	0	0	0	114.1	S150 D151 N156	S150-S154 PolarHBondContact O-N 3.06Å; S150-S154 VanDerWaalsContact O-N 3.09Å; D151-S154 WeakPolarHBondContact CA-OG 3.47Å; D151-S154 CarbonylContact O-C 3.51Å; D151-S154 PolarHBondContact O-N 3.48Å; D151-S154 VanDerWaalsContact O-N 3.16Å; D151-S154 PolarHBondContact O-OG 3.04Å; D151-S154 VanDerWaalsContact O-OG 3.06Å; S154-N156 PolarHBondContact O-N 3.27Å
155	S	35	Very low	38.8	Very low	60 Å²	60	95 Å²	95	42%	0.42	52%	0.517	S	S	.	.			trans	-78.6	57.4	-175.2	73.2	0	0	0	0	112.4	D151 L152 E157	D151-S155 WeakPolarHBondContact O-CA 3.16Å; D151-S155 WeakPolarHBondContact O-CB 3.37Å; D151-S155 PolarHBondContact O-N 3.26Å; D151-S155 PolarHBondContact O-OG 3.36Å; D151-S155 VanDerWaalsContact O-OG 3.05Å; L152-S155 WeakPolarHBondContact CA-OG 3.49Å; S155-E157 PolarHBondContact O-N 2.64Å
156	N	37.1	Very low	38.5	Very low	71 Å²	71	94.3 Å²	94.3	38%	0.38	52%	0.515	S	S	.	.			trans	-77.2	20.3	152.9	-84.3	-46.9	0	0	0	111.3	S154 M158 R704	S154-N156 PolarHBondContact O-N 3.27Å; N156-M158 PolarHBondContact O-N 3.2Å; N156-R704 PolarHBondContact OD1-NH1 3.47Å
157	E	32.3	Very low	37.9	Very low	171 Å²	171	97.6 Å²	97.6	80%	0.799	54%	0.536	S	S	*	.			trans	-71.2	26.6	178.7	-71.4	-167.4	152.5	0	0	115	S155	S155-E157 PolarHBondContact O-N 2.64Å
158	M	30	Very low	37.4	Very low	171 Å²	171	101.3 Å²	101.3	84%	0.842	55%	0.55	S	S	*	.	S	Bend	trans	-104.8	93.1	162.6	-74.4	-75.1	128.9	0	0	107.6	N156	N156-M158 PolarHBondContact O-N 3.2Å
159	L	31.1	Very low	36.9	Very low	146 Å²	146	98.7 Å²	98.7	76%	0.764	54%	0.544	S	S	*	.	S	Bend	trans	128.2	98.9	164.7	-71.2	151.1	0	0	0	111.5	Q161	L159-Q161 PolarHBondContact O-N 3.03Å
160	G	33.5	Very low	36.7	Very low	93 Å²	93	98.9 Å²	98.9	96%	0.959	55%	0.549	S	S	*	.			trans	-70.3	66.6	176.7	0	0	0	0	0	113.8
161	Q	33.4	Very low	36.3	Very low	105 Å²	105	99 Å²	99	49%	0.491	56%	0.56	S	S	.	*			trans	-108.2	136.9	164.5	-75.8	176.1	-27.1	0	0	108.9	L159 I166	L159-Q161 PolarHBondContact O-N 3.03Å; Q161-I166 HydrophobicContact CB-CD1 4.22Å; Q161-I166 HydrophobicContact CB-CG1 4.09Å; Q161-I166 WeakPolarHBondContact O-CD1 3.21Å
162	S	36.4	Very low	36.2	Very low	68 Å²	68	100.2 Å²	100.2	48%	0.476	57%	0.57	S	S	.	*			trans	-62.1	140.7	-174.5	78.6	0	0	0	0	110.6	A164 E165 I166	S162-A164 PolarHBondContact O-N 3.01Å; S162-E165 PolarHBondContact O-N 3.04Å; S162-I166 PolarHBondContact O-N 3.4Å
163	T	39.4	Very low	36	Very low	112 Å²	112	98.7 Å²	98.7	69%	0.687	56%	0.562	S	S	*	*	H	α-helix	trans	-52.3	-29.5	-176.7	42.2	0	0	0	0	113.6	D167	T163-D167 WeakPolarHBondContact O-CB 3.46Å; T163-D167 VanDerWaalsContact O-CG 3.27Å; T163-D167 PolarHBondContact O-N 3.41Å
164	A	41.1	Very low	36.3	Very low	62 Å²	62	101.1 Å²	101.1	51%	0.512	57%	0.573	S	S	.	*	H	α-helix	trans	-76.7	-31.2	177.9	0	0	0	0	0	114.4	S162 R168	S162-A164 PolarHBondContact O-N 3.01Å; A164-R168 PolarHBondContact O-N 3.04Å
165	E	38	Very low	36.6	Very low	121 Å²	121	101 Å²	101	57%	0.565	57%	0.569	S	S	*	*	H	α-helix	trans	-74.1	-39	170.2	-89.3	175.1	153.3	0	0	110.6	S162 R168 E169	S162-E165 PolarHBondContact O-N 3.04Å; E165-R168 PolarHBondContact O-N 2.81Å; E165-E169 WeakPolarHBondContact O-CB 3.22Å; E165-E169 PolarHBondContact O-N 2.97Å
166	I	38.8	Very low	37.2	Very low	58 Å²	58	99.3 Å²	99.3	30%	0.297	56%	0.56	S	S	.	*	H	α-helix	trans	-59.4	-48.1	173.1	-66.2	174.4	0	0	0	109.7	Q161 S162 R168 E169 V170	Q161-I166 HydrophobicContact CB-CD1 4.22Å; Q161-I166 HydrophobicContact CB-CG1 4.09Å; Q161-I166 WeakPolarHBondContact O-CD1 3.21Å; S162-I166 PolarHBondContact O-N 3.4Å; I166-R168 VanDerWaalsContact C-N 3.33Å; I166-R168 PolarHBondContact O-N 3.24Å; I166-E169 PolarHBondContact O-N 2.93Å; I166-V170 HydrophobicContact CG2-CG2 3.63Å; I166-V170 WeakPolarHBondContact O-CA 3.2Å; I166-V170 WeakPolarHBondContact O-CB 3.45Å; I166-V170 WeakPolarHBondContact O-CG2 3.41Å; I166-V170 PolarHBondContact O-N 3.06Å
167	D	36.8	Very low	38.1	Very low	114 Å²	114	101.7 Å²	101.7	61%	0.61	57%	0.567	S	S	*	*	H	α-helix	trans	-63.4	-35.4	-179.7	-75.7	-21.7	0	0	0	113.3	T163 G171	T163-D167 WeakPolarHBondContact O-CB 3.46Å; T163-D167 VanDerWaalsContact O-CG 3.27Å; T163-D167 PolarHBondContact O-N 3.41Å; D167-G171 PolarHBondContact O-N 2.93Å
168	R	36.1	Very low	39.1	Very low	205 Å²	205	94.8 Å²	94.8	77%	0.774	54%	0.537	S	S	*	.	H	α-helix	trans	-78.2	-33.4	179.7	-155.9	-178	-100.9	133.9	-8.5	112.5	A164 E165 I166	A164-R168 PolarHBondContact O-N 3.04Å; E165-R168 PolarHBondContact O-N 2.81Å; I166-R168 VanDerWaalsContact C-N 3.33Å; I166-R168 PolarHBondContact O-N 3.24Å
169	E	33.8	Very low	40.3	Very low	108 Å²	108	88 Å²	88	51%	0.505	51%	0.506	S	S	.	.	H	α-helix	trans	-74.5	-34.3	169.1	-90.9	-167	169.9	0	0	112.1	E165 I166 G171 V172 L173	E165-E169 WeakPolarHBondContact O-CB 3.22Å; E165-E169 PolarHBondContact O-N 2.97Å; I166-E169 PolarHBondContact O-N 2.93Å; E169-G171 VanDerWaalsContact C-N 3.35Å; E169-G171 PolarHBondContact O-N 3.32Å; E169-V172 PolarHBondContact O-N 3.5Å; E169-L173 HydrophobicContact CB-CD1 3.76Å; E169-L173 HydrophobicContact CG-CD1 3.9Å; E169-L173 WeakPolarHBondContact O-CB 2.86Å; E169-L173 PolarHBondContact O-N 3.43Å
170	V	37.4	Very low	41.7	Very low	49 Å²	49	89.8 Å²	89.8	30%	0.297	50%	0.503	S	S	.	.	H	α-helix	trans	-60.3	-43.3	176.8	161	0	0	0	0	110.5	I166 V172 H174	I166-V170 HydrophobicContact CG2-CG2 3.63Å; I166-V170 WeakPolarHBondContact O-CA 3.2Å; I166-V170 WeakPolarHBondContact O-CB 3.45Å; I166-V170 WeakPolarHBondContact O-CG2 3.41Å; I166-V170 PolarHBondContact O-N 3.06Å; V170-V172 PolarHBondContact O-N 3.24Å; V170-V172 VanDerWaalsContact O-N 3.17Å; V170-H174 VanDerWaalsContact CA-ND1 3.35Å; V170-H174 WeakPolarHBondContact CA-ND1 3.06Å; V170-H174 VanDerWaalsContact CG2-CE1 3.46Å; V170-H174 WeakPolarHBondContact CG2-CE1 3.42Å; V170-H174 PolarHBondContact O-ND1 2.97Å
171	G	35.9	Very low	43	Very low	63 Å²	63	88.1 Å²	88.1	65%	0.649	47%	0.469	S	S	*	.	H	α-helix	trans	-61.4	-24.1	178.6	0	0	0	0	0	114.9	D167 E169	D167-G171 PolarHBondContact O-N 2.93Å; E169-G171 VanDerWaalsContact C-N 3.35Å; E169-G171 PolarHBondContact O-N 3.32Å
172	V	34.1	Very low	44.2	Very low	115 Å²	115	83.7 Å²	83.7	70%	0.697	45%	0.448	S	S	*	.	H	α-helix	trans	-110.1	-22.8	-175.4	-174.8	0	0	0	0	112.7	E169 V170	E169-V172 PolarHBondContact O-N 3.5Å; V170-V172 PolarHBondContact O-N 3.24Å; V170-V172 VanDerWaalsContact O-N 3.17Å
173	L	34.1	Very low	45.4	Very low	68 Å²	68	82.1 Å²	82.1	36%	0.356	44%	0.437	S	S	.	.	H	α-helix	trans	-99	-6.3	-173.4	-76.3	155.7	0	0	0	115.8	E169 K177	E169-L173 HydrophobicContact CB-CD1 3.76Å; E169-L173 HydrophobicContact CG-CD1 3.9Å; E169-L173 WeakPolarHBondContact O-CB 2.86Å; E169-L173 PolarHBondContact O-N 3.43Å; L173-K177 WeakPolarHBondContact O-CB 3.26Å; L173-K177 WeakPolarHBondContact O-CG 3.22Å
174	H	47.4	Very low	46.6	Very low	81 Å²	81	80.6 Å²	80.6	38%	0.375	43%	0.431	S	S	.	.	H	α-helix	trans	-83	-43.3	-175.1	-76.4	66	0	0	0	113.7	V170 G176 K177 V178	V170-H174 VanDerWaalsContact CA-ND1 3.35Å; V170-H174 WeakPolarHBondContact CA-ND1 3.06Å; V170-H174 VanDerWaalsContact CG2-CE1 3.46Å; V170-H174 WeakPolarHBondContact CG2-CE1 3.42Å; V170-H174 PolarHBondContact O-ND1 2.97Å; H174-G176 VanDerWaalsContact C-N 3.31Å; H174-G176 PolarHBondContact O-N 3.41Å; H174-K177 PolarHBondContact O-N 3.39Å; H174-K177 VanDerWaalsContact O-N 3.12Å; H174-V178 PolarHBondContact O-N 3.21Å; H174-V178 VanDerWaalsContact O-N 3.07Å
175	T	46.6	Very low	47.7	Very low	81 Å²	81	82.6 Å²	82.6	50%	0.497	43%	0.428	S	S	.	.	H	α-helix	trans	-53	-44.8	-177	56.9	0	0	0	0	113
176	G	48.4	Very low	48.8	Very low	23 Å²	23	77 Å²	77	24%	0.237	40%	0.402	C	S	.	.	H	α-helix	trans	-81	-32.5	180	0	0	0	0	0	114.2	H174 R180	H174-G176 VanDerWaalsContact C-N 3.31Å; H174-G176 PolarHBondContact O-N 3.41Å; G176-R180 WeakPolarHBondContact O-CB 3.13Å; G176-R180 WeakPolarHBondContact O-CD 3.43Å; G176-R180 WeakPolarHBondContact O-CG 3.18Å; G176-R180 PolarHBondContact O-N 3.1Å
177	K	55.5	Low	49.8	Very low	121 Å²	121	77.7 Å²	77.7	53%	0.526	41%	0.41	S	S	.	.	H	α-helix	trans	-77.9	-37.5	-175.6	-79.1	-178.4	-178.9	170.8	0	112.6	L173 H174 R180 F181	L173-K177 WeakPolarHBondContact O-CB 3.26Å; L173-K177 WeakPolarHBondContact O-CG 3.22Å; H174-K177 PolarHBondContact O-N 3.39Å; H174-K177 VanDerWaalsContact O-N 3.12Å; K177-R180 PolarHBondContact O-N 3.36Å; K177-F181 WeakPolarHBondContact O-CB 3.49Å; K177-F181 PolarHBondContact O-N 3.41Å
178	V	53.7	Low	50.8	Low	27 Å²	27	75.9 Å²	75.9	16%	0.164	40%	0.403	C	S	.	.	H	α-helix	trans	-65.5	-50.9	179	177.5	0	0	0	0	110	H174 F181 Y182	H174-V178 PolarHBondContact O-N 3.21Å; H174-V178 VanDerWaalsContact O-N 3.07Å; V178-F181 PolarHBondContact O-N 2.73Å; V178-Y182 WeakPolarHBondContact O-CB 3.35Å; V178-Y182 PolarHBondContact O-N 3.3Å
179	C	54.5	Low	51.8	Low	27 Å²	27	69.2 Å²	69.2	18%	0.182	38%	0.383	C	S	.	.	H	α-helix	trans	-56.3	-53.4	172.6	-72	0	0	0	0	110.8	F181 Y182 S183	C179-F181 VanDerWaalsContact C-N 3.33Å; C179-F181 PolarHBondContact O-N 2.71Å; C179-Y182 PolarHBondContact O-N 2.89Å; C179-Y182 VanDerWaalsContact O-N 3.13Å; C179-S183 VanDerWaalsContact O-CB 3.26Å; C179-S183 WeakPolarHBondContact O-CB 3.49Å; C179-S183 PolarHBondContact O-N 3.04Å; C179-S183 PolarHBondContact O-OG 3.2Å
180	R	60.5	Low	53.2	Low	185 Å²	185	64.2 Å²	64.2	70%	0.698	36%	0.359	S	S	*	.	H	α-helix	trans	-58	-41.9	179.8	-76.5	175.9	-152.2	161.9	6.4	113.3	G176 K177 S184	G176-R180 WeakPolarHBondContact O-CB 3.13Å; G176-R180 WeakPolarHBondContact O-CD 3.43Å; G176-R180 WeakPolarHBondContact O-CG 3.18Å; G176-R180 PolarHBondContact O-N 3.1Å; K177-R180 PolarHBondContact O-N 3.36Å; R180-S184 WeakPolarHBondContact O-CB 3.16Å; R180-S184 PolarHBondContact O-N 3.23Å
181	F	61.4	Low	54.3	Low	58 Å²	58	63.1 Å²	63.1	25%	0.254	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-46.7	177.9	175.3	-100.2	0	0	0	110.5	K177 V178 C179 S184 K185 K706	K177-F181 WeakPolarHBondContact O-CB 3.49Å; K177-F181 PolarHBondContact O-N 3.41Å; V178-F181 PolarHBondContact O-N 2.73Å; C179-F181 VanDerWaalsContact C-N 3.33Å; C179-F181 PolarHBondContact O-N 2.71Å; F181-S184 WeakPolarHBondContact O-CB 3.5Å; F181-S184 PolarHBondContact O-N 3.2Å; F181-S184 PolarHBondContact O-OG 3.25Å; F181-K185 PolarHBondContact O-N 3.19Å; F181-K706 HydrophobicContact CD2-CG 4.35Å; F181-K706 HydrophobicContact CE1-CB 4.22Å; F181-K706 HydrophobicContact CE1-CG 4.45Å; F181-K706 HydrophobicContact CE2-CB 4.33Å; F181-K706 HydrophobicContact CE2-CD 4.31Å; F181-K706 HydrophobicContact CE2-CG 3.76Å; F181-K706 HydrophobicContact CZ-CB 4.08Å; F181-K706 HydrophobicContact CZ-CG 3.82Å
182	Y	58.8	Low	55.4	Low	12 Å²	12	62.6 Å²	62.6	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-71.5	-44.3	-177.6	-150.3	-98.6	0	0	0	111.8	V178 C179 S184 K185 L186 G619 T638 P639 L640	V178-Y182 WeakPolarHBondContact O-CB 3.35Å; V178-Y182 PolarHBondContact O-N 3.3Å; C179-Y182 PolarHBondContact O-N 2.89Å; C179-Y182 VanDerWaalsContact O-N 3.13Å; Y182-S184 PolarHBondContact O-N 2.85Å; Y182-S184 VanDerWaalsContact O-N 3.15Å; Y182-K185 PolarHBondContact O-N 3.43Å; Y182-L186 HydrophobicContact CD1-CD1 3.34Å; Y182-L186 HydrophobicContact CE1-CD1 3.28Å; Y182-L186 HydrophobicContact CG-CD1 4.49Å; Y182-L186 WeakPolarHBondContact O-CB 3.18Å; Y182-L186 PolarHBondContact O-N 3.21Å; Y182-G619 WeakPolarHBondContact CD1-O 3.2Å; Y182-T638 HydrophobicContact CG-CG2 4.5Å; Y182-P639 HydrophobicContact CE1-CG 3.74Å; Y182-P639 VanDerWaalsContact CZ-CD 3.43Å; Y182-P639 WeakPolarHBondContact OH-CB 3.44Å; Y182-P639 WeakPolarHBondContact OH-CD 3.42Å; Y182-P639 WeakPolarHBondContact OH-CG 3.08Å; Y182-L640 HydrophobicContact CD2-CD1 4.39Å; Y182-L640 HydrophobicContact CE2-CD1 3.97Å; Y182-L640 HydrophobicContact CE2-CG 4.04Å
183	S	60.5	Low	56.3	Low	34 Å²	34	61.9 Å²	61.9	24%	0.238	33%	0.333	C	S	.	.	H	α-helix	trans	-56.7	-28.9	171.7	-53.8	0	0	0	0	112.5	C179 P187 N618	C179-S183 VanDerWaalsContact O-CB 3.26Å; C179-S183 WeakPolarHBondContact O-CB 3.49Å; C179-S183 PolarHBondContact O-N 3.04Å; C179-S183 PolarHBondContact O-OG 3.2Å; S183-P187 WeakPolarHBondContact O-CD 3.25Å; S183-N618 PolarHBondContact OG-O 3.47Å
184	S	65.6	Low	57.2	Low	80 Å²	80	63.7 Å²	63.7	56%	0.559	35%	0.351	S	S	*	.	H	α-helix	trans	-72.6	-30.1	174.8	81.1	0	0	0	0	114.1	R180 F181 Y182	R180-S184 WeakPolarHBondContact O-CB 3.16Å; R180-S184 PolarHBondContact O-N 3.23Å; F181-S184 WeakPolarHBondContact O-CB 3.5Å; F181-S184 PolarHBondContact O-N 3.2Å; F181-S184 PolarHBondContact O-OG 3.25Å; Y182-S184 PolarHBondContact O-N 2.85Å; Y182-S184 VanDerWaalsContact O-N 3.15Å
185	K	63.6	Low	57.4	Low	104 Å²	104	65.3 Å²	65.3	45%	0.452	36%	0.359	S	S	.	.	H	α-helix	trans	-89.5	-20.7	179.5	-74.5	-97.6	-176.1	173.7	0	112.8	F181 Y182 T188 L189	F181-K185 PolarHBondContact O-N 3.19Å; Y182-K185 PolarHBondContact O-N 3.43Å; K185-T188 PolarHBondContact O-N 3.45Å; K185-T188 PolarHBondContact O-OG1 3.09Å; K185-L189 HydrophobicContact CB-CD1 4.24Å; K185-L189 WeakPolarHBondContact O-CG 3.42Å
186	L	62.1	Low	57.7	Low	4 Å²	4	71 Å²	71	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-57.7	-44.3	-174.2	-137.5	73.9	0	0	0	115.9	Y182 T188 L189 V190 E617 N618	Y182-L186 HydrophobicContact CD1-CD1 3.34Å; Y182-L186 HydrophobicContact CE1-CD1 3.28Å; Y182-L186 HydrophobicContact CG-CD1 4.49Å; Y182-L186 WeakPolarHBondContact O-CB 3.18Å; Y182-L186 PolarHBondContact O-N 3.21Å; L186-T188 PolarHBondContact O-N 3.29Å; L186-L189 PolarHBondContact O-N 2.92Å; L186-V190 PolarHBondContact O-N 3.28Å; L186-E617 WeakPolarHBondContact CD2-O 2.97Å; L186-N618 VanDerWaalsContact CD2-C 3.43Å; L186-N618 WeakPolarHBondContact CD2-O 3.43Å
187	P	58.9	Low	58.2	Low	72 Å²	72	74.9 Å²	74.9	47%	0.468	40%	0.395	S	S	.	.	H	α-helix	trans	-63.3	-30.3	-174.3	-22.9	34.5	0	0	0	112.5	S183	S183-P187 WeakPolarHBondContact O-CD 3.25Å
188	T	58.4	Low	59.1	Low	76 Å²	76	75.9 Å²	75.9	47%	0.466	40%	0.4	S	S	.	.	H	α-helix	trans	-78.7	-25.8	177.3	-8.3	0	0	0	0	112.6	K185 L186 I282	K185-T188 PolarHBondContact O-N 3.45Å; K185-T188 PolarHBondContact O-OG1 3.09Å; L186-T188 PolarHBondContact O-N 3.29Å; T188-I282 HydrophobicContact CG2-CG2 4.48Å
189	L	57	Low	60.6	Low	66 Å²	66	79.7 Å²	79.7	35%	0.346	41%	0.411	S	S	.	.	H	α-helix	trans	-99.9	-29.5	-172.1	-67.2	172.2	0	0	0	113.3	K185 L186	K185-L189 HydrophobicContact CB-CD1 4.24Å; K185-L189 WeakPolarHBondContact O-CG 3.42Å; L186-L189 PolarHBondContact O-N 2.92Å
190	V	63	Low	62.1	Low	2 Å²	2	79.3 Å²	79.3	1%	0.012	41%	0.406	C	S	.	.	S	Bend	trans	-145.7	125.3	-170.3	-157.6	0	0	0	0	111.7	L186 H580 F581 R583	L186-V190 PolarHBondContact O-N 3.28Å; V190-H580 WeakPolarHBondContact CG1-O 3.37Å; V190-H580 WeakPolarHBondContact CG2-O 3.42Å; V190-F581 VanDerWaalsContact CG1-O 3.23Å; V190-F581 WeakPolarHBondContact CG1-O 3.43Å; V190-R583 HydrophobicContact CG1-CG 3.51Å; V190-R583 PolarHBondContact O-NH2 3.07Å
191	P	61.5	Low	63.5	Low	27 Å²	27	71.2 Å²	71.2	18%	0.175	38%	0.379	C	S	.	.			trans	-56.2	144.5	176	-7.9	12.4	0	0	0	111.6	H200 F581 R583	P191-H200 HydrophobicContact CB-CB 4.19Å; P191-H200 HydrophobicContact CG-CB 3.75Å; P191-F581 VanDerWaalsContact CD-CE2 3.45Å; P191-F581 HydrophobicContact CG-CD2 4.28Å; P191-F581 HydrophobicContact CG-CE2 3.54Å; P191-F581 HydrophobicContact CG-CZ 3.88Å; P191-R583 PolarHBondContact O-NE 2.64Å; P191-R583 VanDerWaalsContact O-NE 3.11Å; P191-R583 PolarHBondContact O-NH2 3.3Å; P191-R583 VanDerWaalsContact O-NH2 3.12Å
192	L	58.1	Low	64.9	Low	51 Å²	51	68.9 Å²	68.9	27%	0.267	37%	0.37	S	S	.	.			trans	-81.9	143.4	174.9	-75.7	168.2	0	0	0	110.8	S194 Q195	L192-S194 PolarHBondContact O-N 2.94Å; L192-Q195 HydrophobicContact CD1-CG 4.33Å
193	P	53.3	Low	66.4	Low	101 Å²	101	68.9 Å²	68.9	66%	0.656	37%	0.371	S	S	*	.	S	Bend	trans	-68.6	-33	-177	-17.7	29.7	0	0	0	114.4
194	S	52.3	Low	67.9	Low	105 Å²	105	67.4 Å²	67.4	73%	0.734	36%	0.36	S	S	*	.	S	Bend	trans	-113.7	-2.1	-163.6	54.9	0	0	0	0	115.2	L192	L192-S194 PolarHBondContact O-N 2.94Å
195	Q	51.2	Low	69	Low	116 Å²	116	65.5 Å²	65.5	54%	0.542	34%	0.342	S	S	.	.			trans	-84.1	123.6	170.4	-74	-169.2	-26.6	0	0	108.6	L192 D197	L192-Q195 HydrophobicContact CD1-CG 4.33Å; Q195-D197 CarbonylContact O-C 3.55Å; Q195-D197 VanDerWaalsContact O-C 3.31Å; Q195-D197 PolarHBondContact O-N 3.3Å
196	E	52.9	Low	70.3	Confident	200 Å²	200	64.3 Å²	64.3	94%	0.935	34%	0.335	S	S	*	.	S	Bend	trans	-48.5	-28.3	173.7	-69	179.7	149.9	0	0	111.6	K198	E196-K198 PolarHBondContact O-N 3.01Å
197	D	60	Low	71.7	Confident	104 Å²	104	65.5 Å²	65.5	56%	0.556	34%	0.339	S	S	*	.			trans	-84.3	87.9	167.1	-70.4	-18.9	0	0	0	111.1	Q195 R199	Q195-D197 CarbonylContact O-C 3.55Å; Q195-D197 VanDerWaalsContact O-C 3.31Å; Q195-D197 PolarHBondContact O-N 3.3Å; D197-R199 HydrophobicContact CB-CB 4.41Å; D197-R199 HydrophobicContact CB-CG 3.97Å; D197-R199 PolarHBondContact O-N 2.75Å
198	K	74.5	Confident	73.4	Confident	142 Å²	142	62.7 Å²	62.7	62%	0.617	32%	0.32	S	S	*	.			trans	-66	41.6	164.9	-67.5	-178.6	178.9	175.7	0	112.2	E196 H200 N229	E196-K198 PolarHBondContact O-N 3.01Å; K198-H200 PolarHBondContact O-CD2 2.9Å; K198-N229 WeakPolarHBondContact O-CB 3.29Å; K198-N229 PolarHBondContact O-ND2 3.47Å
199	R	84.8	Confident	75	Confident	108 Å²	108	65 Å²	65	41%	0.408	32%	0.32	S	S	.	.			trans	-75.2	132.9	-177.3	-78.3	177.1	74.5	-157.4	0.4	109	D197 N229 E281 I282	D197-R199 HydrophobicContact CB-CB 4.41Å; D197-R199 HydrophobicContact CB-CG 3.97Å; D197-R199 PolarHBondContact O-N 2.75Å; R199-N229 CarbonylContact C-O 3.52Å; R199-N229 WeakPolarHBondContact CA-O 3.47Å; R199-E281 IonicContact CZ-OE1 3.44Å; R199-E281 IonicContact NE-OE1 2.71Å; R199-E281 PolarHBondContact NE-OE1 3.05Å; R199-E281 IonicContact NH2-OE1 2.89Å; R199-E281 PolarHBondContact NH2-OE1 2.88Å; R199-E281 IonicContact NH2-OE2 3.3Å; R199-I282 HydrophobicContact CB-CD1 3.69Å
200	H	85.9	Confident	76.6	Confident	18 Å²	18	64.6 Å²	64.6	8%	0.083	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	153	178.5	65.2	85.2	0	0	0	111.6	P191 K198 I227 N229 N280 I282 F581	P191-H200 HydrophobicContact CB-CB 4.19Å; P191-H200 HydrophobicContact CG-CB 3.75Å; K198-H200 PolarHBondContact O-CD2 2.9Å; H200-I227 PolarHBondContact CE1-O 2.86Å; H200-N229 PolarHBondContact N-O 2.86Å; H200-N229 PolarHBondContact O-N 2.89Å; H200-N229 VanDerWaalsContact O-O 3.05Å; H200-N280 PolarHBondContact O-ND2 2.82Å; H200-I282 VanDerWaalsContact N-CD1 3.31Å; H200-F581 HydrophobicContact CB-CE2 4.44Å; H200-F581 AromaticContact CE1-CE2 3.89Å; H200-F581 AromaticContact CE1-CZ 3.71Å; H200-F581 AromaticContact CG-CE2 3.95Å; H200-F581 AromaticContact ND1-CE2 3.65Å; H200-F581 AromaticContact ND1-CZ 3.96Å; H200-F581 AromaticContact NE2-CZ 3.94Å
201	A	89	Confident	78	Confident	16 Å²	16	66 Å²	66	13%	0.132	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	157.4	172.4	0	0	0	0	0	111	I282	A201-I282 HydrophobicContact CB-CB 4.34Å; A201-I282 HydrophobicContact CB-CG2 4.07Å
202	P	91.2	Very high	79.3	Confident	8 Å²	8	65.5 Å²	65.5	5%	0.052	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	142.8	-177.6	-16.1	32.2	0	0	0	110.8	I227 A228 A232 A278 N280 G283 T285	P202-I227 WeakPolarHBondContact CA-O 3.46Å; P202-A228 HydrophobicContact CB-CB 3.87Å; P202-A228 HydrophobicContact CG-CB 4.08Å; P202-A232 HydrophobicContact CB-CB 3.87Å; P202-A232 HydrophobicContact CG-CB 3.63Å; P202-A278 HydrophobicContact CB-CB 3.78Å; P202-A278 HydrophobicContact CG-CB 4.38Å; P202-N280 WeakPolarHBondContact CD-OD1 3.15Å; P202-N280 HydrophobicContact CG-CB 4.15Å; P202-G283 WeakPolarHBondContact CD-O 3.18Å; P202-T285 HydrophobicContact CB-CG2 4.11Å; P202-T285 WeakPolarHBondContact O-CG2 3.39Å
203	I	90.6	Very high	80.9	Confident	13 Å²	13	63.1 Å²	63.1	7%	0.067	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	138.5	175.1	-172.4	170.5	0	0	0	110.5	E205 C226 I227 Q577 W578 F581	I203-E205 PolarHBondContact O-N 2.81Å; I203-C226 WeakPolarHBondContact O-CA 3.47Å; I203-I227 HydrophobicContact CG2-CB 4.18Å; I203-I227 PolarHBondContact N-O 2.92Å; I203-I227 PolarHBondContact O-N 2.85Å; I203-Q577 HydrophobicContact CD1-CG 4.18Å; I203-W578 HydrophobicContact CD1-CE3 4.17Å; I203-W578 HydrophobicContact CG2-CZ3 4.44Å; I203-F581 HydrophobicContact CB-CD2 4.46Å; I203-F581 HydrophobicContact CD1-CB 3.32Å; I203-F581 HydrophobicContact CD1-CD1 4.05Å; I203-F581 HydrophobicContact CD1-CD2 3.84Å; I203-F581 HydrophobicContact CD1-CG 3.47Å; I203-F581 VanDerWaalsContact CD1-CG 3.47Å; I203-F581 HydrophobicContact CG2-CD1 4.15Å; I203-F581 HydrophobicContact CG2-CD2 3.94Å; I203-F581 HydrophobicContact CG2-CE1 3.95Å; I203-F581 HydrophobicContact CG2-CE2 3.72Å; I203-F581 HydrophobicContact CG2-CG 4.15Å; I203-F581 HydrophobicContact CG2-CZ 3.74Å
204	F	91.2	Very high	82.4	Confident	3 Å²	3	58.6 Å²	58.6	1%	0.013	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	112.9	173.5	-70.7	-75.3	0	0	0	110.5	R207 C224 K225 C226 C276 A278 T285 C287	F204-R207 HydrophobicContact CB-CG 3.79Å; F204-C224 HydrophobicContact CD1-CB 4.07Å; F204-C224 HydrophobicContact CE1-CB 4.07Å; F204-K225 CarbonylContact C-O 3.57Å; F204-K225 WeakPolarHBondContact CA-O 3.3Å; F204-C226 HydrophobicContact CD1-CB 3.93Å; F204-C226 HydrophobicContact CE1-CB 3.79Å; F204-C276 HydrophobicContact CZ-CB 4.33Å; F204-A278 HydrophobicContact CE2-CB 4.37Å; F204-A278 HydrophobicContact CZ-CB 3.99Å; F204-T285 HydrophobicContact CD2-CG2 3.67Å; F204-T285 HydrophobicContact CE2-CG2 3.63Å; F204-C287 HydrophobicContact CD2-CB 3.85Å; F204-C287 VanDerWaalsContact CE1-SG 3.54Å; F204-C287 HydrophobicContact CE2-CB 3.97Å; F204-C287 VanDerWaalsContact CE2-SG 3.59Å; F204-C287 HydrophobicContact CG-CB 4.23Å; F204-C287 HydrophobicContact CZ-CB 4.46Å; F204-C287 WeakPolarHBondContact CZ-SG 3.42Å
205	E	89	Confident	83.8	Confident	39 Å²	39	59.2 Å²	59.2	18%	0.182	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-35.6	167.4	177.9	177.7	-129.1	0	0	110.9	I203 K225 I227 H523 W578	I203-E205 PolarHBondContact O-N 2.81Å; E205-K225 PolarHBondContact N-O 3.34Å; E205-K225 WeakPolarHBondContact OE2-CD 3.37Å; E205-K225 WeakPolarHBondContact OE2-CE 3.27Å; E205-K225 IonicContact OE2-NZ 3.16Å; E205-K225 PolarHBondContact OE2-NZ 2.79Å; E205-I227 HydrophobicContact CB-CD1 3.92Å; E205-I227 HydrophobicContact CB-CG1 4.31Å; E205-H523 PolarHBondContact O-CD2 3.47Å; E205-W578 HydrophobicContact CB-CE3 4.28Å; E205-W578 HydrophobicContact CB-CH2 3.6Å; E205-W578 HydrophobicContact CB-CZ2 4.3Å; E205-W578 HydrophobicContact CB-CZ3 3.59Å; E205-W578 HydrophobicContact CG-CE3 4.49Å; E205-W578 HydrophobicContact CG-CH2 3.45Å; E205-W578 VanDerWaalsContact CG-CH2 3.45Å; E205-W578 HydrophobicContact CG-CZ2 3.67Å; E205-W578 HydrophobicContact CG-CZ3 3.91Å; E205-W578 WeakPolarHBondContact OE1-CH2 3.38Å; E205-W578 WeakPolarHBondContact OE1-CZ2 3.46Å
206	R	90.5	Very high	85.2	Confident	79 Å²	79	59.2 Å²	59.2	30%	0.298	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.4	172.1	-174.3	174.6	53.6	159.8	-6.6	108.9	E223 C224 K225	R206-E223 IonicContact CZ-OE1 2.73Å; R206-E223 VanDerWaalsContact CZ-OE1 3.32Å; R206-E223 IonicContact NH1-OE1 3.1Å; R206-E223 PolarHBondContact NH1-OE1 2.9Å; R206-E223 IonicContact NH1-OE2 3.14Å; R206-E223 VanDerWaalsContact NH2-CG 3.3Å; R206-E223 IonicContact NH2-OE1 2.93Å; R206-E223 PolarHBondContact NH2-OE1 2.8Å; R206-C224 WeakPolarHBondContact O-CA 3.44Å; R206-C224 WeakPolarHBondContact O-CB 3.37Å; R206-K225 HydrophobicContact CB-CB 4.1Å; R206-K225 PolarHBondContact N-O 2.82Å; R206-K225 PolarHBondContact O-N 3.14Å
207	R	93.1	Very high	86.6	Confident	30 Å²	30	55.1 Å²	55.1	11%	0.113	26%	0.257	C	S	.	.			trans	-88.7	165.4	-177.2	-62.8	-179	75.3	83.8	-2.4	110.6	F204 S286 C287 E524 T574	F204-R207 HydrophobicContact CB-CG 3.79Å; R207-S286 PolarHBondContact NH2-O 3.47Å; R207-C287 HydrophobicContact CB-CB 4.05Å; R207-C287 HydrophobicContact CG-CB 4.17Å; R207-E524 PolarHBondContact N-OE1 3.37Å; R207-T574 WeakPolarHBondContact CD-OG1 3.37Å; R207-T574 HydrophobicContact CG-CG2 3.99Å
208	L	94.6	Very high	88	Confident	13 Å²	13	51.3 Å²	51.3	7%	0.068	24%	0.238	C	C	.	.			trans	-62.1	139.2	171.1	-64.1	175.8	0	0	0	110.6	F222 C224 W236 C276 A289	L208-F222 HydrophobicContact CD2-CB 4.01Å; L208-F222 HydrophobicContact CD2-CD1 4.44Å; L208-C224 HydrophobicContact CD2-CB 3.85Å; L208-C224 HydrophobicContact CG-CB 4.27Å; L208-W236 HydrophobicContact CD1-CH2 4.42Å; L208-W236 HydrophobicContact CD1-CZ3 3.82Å; L208-W236 HydrophobicContact CD2-CH2 3.64Å; L208-W236 HydrophobicContact CD2-CZ3 3.75Å; L208-W236 HydrophobicContact CG-CZ3 4.41Å; L208-C276 HydrophobicContact CD1-CB 4Å; L208-A289 HydrophobicContact CB-CB 3.52Å
209	R	91.6	Very high	88.9	Confident	125 Å²	125	49 Å²	49	47%	0.472	23%	0.232	S	C	.	.			trans	-110.4	151.4	172.7	-64.2	-174.5	-178.5	-177.9	-2.1	110.5	V211 A289 E524	R209-V211 WeakPolarHBondContact O-CG2 3.47Å; R209-V211 PolarHBondContact O-N 2.61Å; R209-A289 WeakPolarHBondContact O-CB 3.39Å; R209-E524 IonicContact CZ-OE2 3.85Å; R209-E524 IonicContact NE-OE2 2.75Å; R209-E524 PolarHBondContact NE-OE2 3.43Å; R209-E524 IonicContact NH2-OE2 3.93Å; R209-E524 PolarHBondContact NH2-OE2 2.97Å
210	T	91.3	Very high	89.3	Confident	56 Å²	56	44.1 Å²	44.1	34%	0.344	21%	0.214	S	C	.	.			trans	-58.2	130.5	173.4	-66.5	0	0	0	0	109.1	R290 I292	T210-R290 CarbonylContact C-O 3.53Å; T210-R290 VanDerWaalsContact CA-O 3.29Å; T210-R290 WeakPolarHBondContact CA-O 3.5Å; T210-R290 HydrophobicContact CG2-CB 4.12Å; T210-R290 WeakPolarHBondContact CG2-O 3.5Å; T210-I292 HydrophobicContact CG2-CD1 3.95Å; T210-I292 HydrophobicContact CG2-CG1 3.99Å; T210-I292 HydrophobicContact CG2-CG2 4.18Å
211	V	91.7	Very high	89.7	Confident	32 Å²	32	46 Å²	46	19%	0.194	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	149.7	178.5	-172	0	0	0	0	109	R209 I220 F222 R290 L291 I292	R209-V211 WeakPolarHBondContact O-CG2 3.47Å; R209-V211 PolarHBondContact O-N 2.61Å; V211-I220 HydrophobicContact CB-CG2 4.2Å; V211-I220 HydrophobicContact CG1-CD1 4.48Å; V211-I220 HydrophobicContact CG1-CG2 3.64Å; V211-F222 HydrophobicContact CB-CE1 3.95Å; V211-F222 HydrophobicContact CB-CZ 4.05Å; V211-F222 HydrophobicContact CG2-CD1 3.65Å; V211-F222 HydrophobicContact CG2-CE1 3.5Å; V211-F222 VanDerWaalsContact CG2-CE1 3.5Å; V211-F222 HydrophobicContact CG2-CG 4.32Å; V211-F222 HydrophobicContact CG2-CZ 4.06Å; V211-R290 PolarHBondContact N-O 3.36Å; V211-L291 HydrophobicContact CB-CD1 4.25Å; V211-L291 HydrophobicContact CG1-CD1 4.45Å; V211-L291 WeakPolarHBondContact O-CA 3.07Å; V211-L291 WeakPolarHBondContact O-CD1 3.42Å; V211-I292 PolarHBondContact O-N 3.25Å
212	I	89	Confident	90	Very high	16 Å²	16	45.3 Å²	45.3	8%	0.082	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.4	-178.3	-64.4	157.2	0	0	0	108.8	P214 I220 I292 G294 G325	I212-P214 WeakPolarHBondContact O-CD 3.35Å; I212-I220 WeakPolarHBondContact O-CD1 3.44Å; I212-I292 CarbonylContact C-O 3.58Å; I212-I292 WeakPolarHBondContact CA-O 3.31Å; I212-I292 HydrophobicContact CG1-CD1 4.08Å; I212-I292 HydrophobicContact CG1-CG1 3.91Å; I212-G294 VanDerWaalsContact CG2-CA 3.42Å; I212-G325 WeakPolarHBondContact CD1-O 3.44Å
213	L	90.8	Very high	90.2	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	111.9	168.2	177.2	59.5	0	0	0	108.9	I220 A266 V267 V271 L291 I292 L293 G294	L213-I220 HydrophobicContact CB-CD1 4.45Å; L213-I220 HydrophobicContact CD1-CD1 3.94Å; L213-I220 HydrophobicContact CD1-CG1 3.87Å; L213-A266 HydrophobicContact CD1-CB 3.67Å; L213-V267 VanDerWaalsContact CD2-O 3.23Å; L213-V267 WeakPolarHBondContact CD2-O 3.5Å; L213-V271 HydrophobicContact CD2-CG2 4.34Å; L213-L291 HydrophobicContact CB-CD1 3.82Å; L213-L291 HydrophobicContact CB-CD2 4.41Å; L213-L291 HydrophobicContact CB-CG 4.12Å; L213-L291 HydrophobicContact CD2-CD2 4.49Å; L213-I292 PolarHBondContact N-O 3.37Å; L213-L293 HydrophobicContact CB-CD2 4.45Å; L213-L293 HydrophobicContact CD2-CD2 3.93Å; L213-L293 HydrophobicContact CG-CD2 4.17Å; L213-G294 PolarHBondContact O-N 2.96Å
214	P	86	Confident	90.3	Very high	6 Å²	6	47.1 Å²	47.1	4%	0.039	23%	0.229	C	C	.	.			trans	-59.7	163.2	171.6	-21.2	33.6	0	0	0	112.3	I212 F216 S218 L379	I212-P214 WeakPolarHBondContact O-CD 3.35Å; P214-F216 HydrophobicContact CB-CD1 3.72Å; P214-F216 HydrophobicContact CB-CD2 4.13Å; P214-F216 HydrophobicContact CB-CE1 3.38Å; P214-F216 HydrophobicContact CB-CE2 3.81Å; P214-F216 HydrophobicContact CB-CG 4.09Å; P214-F216 HydrophobicContact CB-CZ 3.43Å; P214-F216 VanDerWaalsContact CB-CZ 3.43Å; P214-F216 HydrophobicContact CG-CE1 4.24Å; P214-F216 HydrophobicContact CG-CE2 4.05Å; P214-F216 HydrophobicContact CG-CZ 3.79Å; P214-F216 PolarHBondContact O-N 3.21Å; P214-S218 WeakPolarHBondContact CD-OG 3.36Å; P214-L379 HydrophobicContact CG-CG 4.34Å
215	L	81.4	Confident	90.4	Very high	117 Å²	117	49.4 Å²	49.4	61%	0.613	24%	0.239	S	C	*	.	S	Bend	trans	-73.5	12.8	176.8	-62.4	178.9	0	0	0	114.1	L293 G294	L215-L293 HydrophobicContact CD2-CD2 4.43Å; L215-G294 WeakPolarHBondContact CD2-O 3.26Å; L215-G294 WeakPolarHBondContact CG-O 3.35Å
216	F	81	Confident	90.5	Very high	116 Å²	116	48.2 Å²	48.2	51%	0.509	23%	0.234	S	C	.	.	S	Bend	trans	-128	154.7	175.1	53	-95.8	0	0	0	109.6	P214 S218	P214-F216 HydrophobicContact CB-CD1 3.72Å; P214-F216 HydrophobicContact CB-CD2 4.13Å; P214-F216 HydrophobicContact CB-CE1 3.38Å; P214-F216 HydrophobicContact CB-CE2 3.81Å; P214-F216 HydrophobicContact CB-CG 4.09Å; P214-F216 HydrophobicContact CB-CZ 3.43Å; P214-F216 VanDerWaalsContact CB-CZ 3.43Å; P214-F216 HydrophobicContact CG-CE1 4.24Å; P214-F216 HydrophobicContact CG-CE2 4.05Å; P214-F216 HydrophobicContact CG-CZ 3.79Å; P214-F216 PolarHBondContact O-N 3.21Å; F216-S218 PolarHBondContact O-N 3.02Å
217	E	82.1	Confident	90.5	Very high	115 Å²	115	46 Å²	46	54%	0.537	23%	0.228	S	C	.	.			trans	-59.8	120.1	177.6	-176	178.1	132	0	0	109.7	K265	E217-K265 HydrophobicContact CG-CB 3.66Å; E217-K265 HydrophobicContact CG-CG 4.09Å; E217-K265 WeakPolarHBondContact OE1-CB 3.34Å; E217-K265 WeakPolarHBondContact OE1-CD 3.3Å; E217-K265 WeakPolarHBondContact OE1-CE 3.38Å; E217-K265 WeakPolarHBondContact OE1-CG 3.39Å; E217-K265 IonicContact OE1-NZ 3.71Å; E217-K265 PolarHBondContact OE1-NZ 3.43Å; E217-K265 VanDerWaalsContact OE1-NZ 3.16Å
218	S	88	Confident	90.2	Very high	24 Å²	24	45.3 Å²	45.3	17%	0.168	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.8	177.1	69.8	0	0	0	0	110.8	P214 F216 A266	P214-S218 WeakPolarHBondContact CD-OG 3.36Å; F216-S218 PolarHBondContact O-N 3.02Å; S218-A266 PolarHBondContact O-N 3.49Å
219	D	93.4	Very high	89.9	Confident	93 Å²	93	47.6 Å²	47.6	50%	0.497	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.9	169.7	-68.2	-4	0	0	0	109.2	I262 I263 K264 K265	D219-I262 HydrophobicContact CB-CG2 4.35Å; D219-I263 WeakPolarHBondContact CA-O 3.3Å; D219-K264 WeakPolarHBondContact OD1-CA 3.26Å; D219-K265 PolarHBondContact OD1-N 3.13Å
220	I	93.7	Very high	89.9	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.7	-179.7	-62.8	-62.8	0	0	0	108.8	V211 I212 L213 F222 I262 I263 A266 L291	V211-I220 HydrophobicContact CB-CG2 4.2Å; V211-I220 HydrophobicContact CG1-CD1 4.48Å; V211-I220 HydrophobicContact CG1-CG2 3.64Å; I212-I220 WeakPolarHBondContact O-CD1 3.44Å; L213-I220 HydrophobicContact CB-CD1 4.45Å; L213-I220 HydrophobicContact CD1-CD1 3.94Å; L213-I220 HydrophobicContact CD1-CG1 3.87Å; I220-F222 HydrophobicContact CG2-CD2 4.46Å; I220-F222 HydrophobicContact CG2-CE2 4.12Å; I220-I262 CarbonylContact O-C 3.52Å; I220-I262 VanDerWaalsContact O-CA 3.32Å; I220-I262 WeakPolarHBondContact O-CA 3.29Å; I220-I263 PolarHBondContact N-O 3.28Å; I220-I263 PolarHBondContact O-N 2.9Å; I220-A266 HydrophobicContact CB-CB 4.23Å; I220-A266 HydrophobicContact CG1-CB 3.55Å; I220-L291 HydrophobicContact CD1-CD1 4.49Å; I220-L291 HydrophobicContact CG1-CD1 4.33Å; I220-L291 HydrophobicContact CG2-CD1 3.74Å; I220-L291 HydrophobicContact CG2-CD2 4.47Å
221	T	94.8	Very high	89.8	Confident	58 Å²	58	46.1 Å²	46.1	36%	0.356	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121.8	179.7	-57.3	0	0	0	0	110.9	K260 L261 I262	T221-K260 HydrophobicContact CG2-CB 4.05Å; T221-K260 HydrophobicContact CG2-CD 4.14Å; T221-K260 HydrophobicContact CG2-CG 4.12Å; T221-L261 WeakPolarHBondContact CA-O 3.35Å; T221-I262 HydrophobicContact CG2-CG1 4.18Å
222	F	95.7	Very high	89.8	Confident	1 Å²	1	45.7 Å²	45.7	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.2	163.3	-76.2	-77.2	0	0	0	109	L208 V211 I220 W236 K260 L261 Y274 A289 L291	L208-F222 HydrophobicContact CD2-CB 4.01Å; L208-F222 HydrophobicContact CD2-CD1 4.44Å; V211-F222 HydrophobicContact CB-CE1 3.95Å; V211-F222 HydrophobicContact CB-CZ 4.05Å; V211-F222 HydrophobicContact CG2-CD1 3.65Å; V211-F222 HydrophobicContact CG2-CE1 3.5Å; V211-F222 VanDerWaalsContact CG2-CE1 3.5Å; V211-F222 HydrophobicContact CG2-CG 4.32Å; V211-F222 HydrophobicContact CG2-CZ 4.06Å; I220-F222 HydrophobicContact CG2-CD2 4.46Å; I220-F222 HydrophobicContact CG2-CE2 4.12Å; F222-W236 HydrophobicContact CB-CH2 4.22Å; F222-W236 HydrophobicContact CB-CZ3 4.01Å; F222-K260 CarbonylContact O-C 3.55Å; F222-K260 VanDerWaalsContact O-CA 3.23Å; F222-K260 WeakPolarHBondContact O-CA 3.33Å; F222-L261 HydrophobicContact CB-CB 4.26Å; F222-L261 PolarHBondContact N-O 3.43Å; F222-L261 PolarHBondContact O-N 3.09Å; F222-Y274 HydrophobicContact CD2-CD1 4.17Å; F222-Y274 HydrophobicContact CD2-CD2 4.45Å; F222-Y274 HydrophobicContact CD2-CG 4.06Å; F222-Y274 AromaticContact CE2-CD1 3.95Å; F222-Y274 HydrophobicContact CE2-CD1 3.95Å; F222-Y274 AromaticContact CE2-CD2 3.52Å; F222-Y274 HydrophobicContact CE2-CD2 3.52Å; F222-Y274 HydrophobicContact CE2-CE1 4.27Å; F222-Y274 AromaticContact CE2-CE2 3.91Å; F222-Y274 HydrophobicContact CE2-CE2 3.91Å; F222-Y274 AromaticContact CE2-CG 3.56Å; F222-Y274 HydrophobicContact CE2-CG 3.56Å; F222-Y274 AromaticContact CZ-CD2 3.57Å; F222-Y274 HydrophobicContact CZ-CD2 3.57Å; F222-Y274 HydrophobicContact CZ-CE2 4.22Å; F222-Y274 AromaticContact CZ-CG 3.85Å; F222-Y274 HydrophobicContact CZ-CG 3.85Å; F222-A289 HydrophobicContact CD1-CB 4.24Å; F222-A289 HydrophobicContact CE1-CB 3.9Å; F222-L291 HydrophobicContact CE2-CB 4.36Å; F222-L291 HydrophobicContact CZ-CB 3.94Å; F222-L291 HydrophobicContact CZ-CD1 4.48Å
223	E	94.3	Very high	90	Very high	59 Å²	59	52 Å²	52	28%	0.276	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.3	-175.7	-175.6	175.1	177.7	0	0	110.6	R206 T258 E259 K260	R206-E223 IonicContact CZ-OE1 2.73Å; R206-E223 VanDerWaalsContact CZ-OE1 3.32Å; R206-E223 IonicContact NH1-OE1 3.1Å; R206-E223 PolarHBondContact NH1-OE1 2.9Å; R206-E223 IonicContact NH1-OE2 3.14Å; R206-E223 VanDerWaalsContact NH2-CG 3.3Å; R206-E223 IonicContact NH2-OE1 2.93Å; R206-E223 PolarHBondContact NH2-OE1 2.8Å; E223-T258 HydrophobicContact CG-CG2 3.58Å; E223-T258 VanDerWaalsContact OE1-CG2 3.23Å; E223-T258 WeakPolarHBondContact OE1-CG2 3.4Å; E223-E259 WeakPolarHBondContact CA-O 3.47Å; E223-K260 HydrophobicContact CB-CG 4.12Å; E223-K260 HydrophobicContact CG-CG 3.85Å; E223-K260 VanDerWaalsContact OE1-CE 3.29Å; E223-K260 WeakPolarHBondContact OE1-CE 3.45Å; E223-K260 IonicContact OE1-NZ 3.39Å; E223-K260 VanDerWaalsContact OE2-CE 3.26Å; E223-K260 WeakPolarHBondContact OE2-CE 3.3Å; E223-K260 IonicContact OE2-NZ 3.84Å
224	C	94	Very high	90.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	161.6	173.2	58.6	0	0	0	0	110.6	F204 R206 L208 T258 E259	F204-C224 HydrophobicContact CD1-CB 4.07Å; F204-C224 HydrophobicContact CE1-CB 4.07Å; R206-C224 WeakPolarHBondContact O-CA 3.44Å; R206-C224 WeakPolarHBondContact O-CB 3.37Å; L208-C224 HydrophobicContact CD2-CB 3.85Å; L208-C224 HydrophobicContact CG-CB 4.27Å; C224-T258 WeakPolarHBondContact O-CA 3.42Å; C224-E259 PolarHBondContact N-O 2.86Å; C224-E259 PolarHBondContact O-N 2.94Å
225	K	92.8	Very high	90.5	Very high	52 Å²	52	55 Å²	55	23%	0.226	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.2	174.2	-176	171.8	172	-160.3	0	109.4	F204 E205 R206 N256	F204-K225 CarbonylContact C-O 3.57Å; F204-K225 WeakPolarHBondContact CA-O 3.3Å; E205-K225 PolarHBondContact N-O 3.34Å; E205-K225 WeakPolarHBondContact OE2-CD 3.37Å; E205-K225 WeakPolarHBondContact OE2-CE 3.27Å; E205-K225 IonicContact OE2-NZ 3.16Å; E205-K225 PolarHBondContact OE2-NZ 2.79Å; R206-K225 HydrophobicContact CB-CB 4.1Å; R206-K225 PolarHBondContact N-O 2.82Å; R206-K225 PolarHBondContact O-N 3.14Å; K225-N256 WeakPolarHBondContact CE-O 3.49Å
226	C	91.1	Very high	91.2	Very high	13 Å²	13	49.6 Å²	49.6	9%	0.088	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.9	-177	-175	0	0	0	0	109.9	I203 F204 L234 A278	I203-C226 WeakPolarHBondContact O-CA 3.47Å; F204-C226 HydrophobicContact CD1-CB 3.93Å; F204-C226 HydrophobicContact CE1-CB 3.79Å; C226-L234 HydrophobicContact CB-CD2 4.23Å; C226-A278 VanDerWaalsContact SG-CB 3.56Å
227	I	89.7	Confident	92	Very high	33 Å²	33	46.7 Å²	46.7	17%	0.169	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.2	176	-52.9	177.4	0	0	0	107.3	H200 P202 I203 E205 W578	H200-I227 PolarHBondContact CE1-O 2.86Å; P202-I227 WeakPolarHBondContact CA-O 3.46Å; I203-I227 HydrophobicContact CG2-CB 4.18Å; I203-I227 PolarHBondContact N-O 2.92Å; I203-I227 PolarHBondContact O-N 2.85Å; E205-I227 HydrophobicContact CB-CD1 3.92Å; E205-I227 HydrophobicContact CB-CG1 4.31Å; I227-W578 HydrophobicContact CD1-CH2 3.58Å; I227-W578 HydrophobicContact CD1-CZ3 3.93Å
228	A	88.4	Confident	92.6	Very high	15 Å²	15	42.9 Å²	42.9	12%	0.124	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	145.4	179.8	0	0	0	0	0	110.6	P202 P230 A232	P202-A228 HydrophobicContact CB-CB 3.87Å; P202-A228 HydrophobicContact CG-CB 4.08Å; A228-P230 CarbonylContact C-O 3.49Å; A228-P230 VanDerWaalsContact C-O 3.22Å; A228-P230 WeakPolarHBondContact CB-O 3.16Å; A228-A232 HydrophobicContact CB-CB 3.64Å
229	N	88.4	Confident	92.8	Very high	61 Å²	61	45.3 Å²	45.3	33%	0.326	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	110.9	169.4	-174.5	21.2	0	0	0	110.7	K198 R199 H200 I282	K198-N229 WeakPolarHBondContact O-CB 3.29Å; K198-N229 PolarHBondContact O-ND2 3.47Å; R199-N229 CarbonylContact C-O 3.52Å; R199-N229 WeakPolarHBondContact CA-O 3.47Å; H200-N229 PolarHBondContact N-O 2.86Å; H200-N229 PolarHBondContact O-N 2.89Å; H200-N229 VanDerWaalsContact O-O 3.05Å; N229-I282 WeakPolarHBondContact O-CD1 3.26Å
230	P	89.9	Confident	92.8	Very high	34 Å²	34	46.8 Å²	46.8	22%	0.221	25%	0.253	C	S	.	.	S	Bend	cis	-62.9	165.5	1	-20.8	33.1	0	0	0	113.6	A228 A232 N280 E281	A228-P230 CarbonylContact C-O 3.49Å; A228-P230 VanDerWaalsContact C-O 3.22Å; A228-P230 WeakPolarHBondContact CB-O 3.16Å; P230-A232 PolarHBondContact O-N 2.86Å; P230-N280 PolarHBondContact O-ND2 3.21Å; P230-E281 WeakPolarHBondContact CD-OE1 3.25Å; P230-E281 HydrophobicContact CG-CG 4.3Å; P230-E281 WeakPolarHBondContact CG-OE1 3.19Å
231	P	89.9	Confident	92.9	Very high	117 Å²	117	51.2 Å²	51.2	76%	0.76	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-49	137.6	174	-26.8	35.2	0	0	0	111.7
232	A	91.2	Very high	92.9	Very high	22 Å²	22	52.4 Å²	52.4	18%	0.182	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-87.2	149.4	-179.4	0	0	0	0	0	111.5	P202 A228 P230 L234 A278 E279 N280	P202-A232 HydrophobicContact CB-CB 3.87Å; P202-A232 HydrophobicContact CG-CB 3.63Å; A228-A232 HydrophobicContact CB-CB 3.64Å; P230-A232 PolarHBondContact O-N 2.86Å; A232-L234 HydrophobicContact CB-CD1 4Å; A232-L234 WeakPolarHBondContact O-CD1 3.38Å; A232-A278 HydrophobicContact CB-CB 4.12Å; A232-E279 CarbonylContact C-O 3.57Å; A232-E279 VanDerWaalsContact CA-O 3.23Å; A232-E279 WeakPolarHBondContact CA-O 3.42Å; A232-E279 WeakPolarHBondContact CB-O 3.31Å; A232-N280 HydrophobicContact CB-CB 4.48Å
233	E	93	Very high	92.8	Very high	148 Å²	148	53.7 Å²	53.7	69%	0.692	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	129	163.8	-175.1	171.1	-175.8	0	0	109.3	A278 E279	E233-A278 WeakPolarHBondContact O-CA 3.4Å; E233-E279 PolarHBondContact N-O 2.88Å; E233-E279 PolarHBondContact O-N 2.92Å
234	L	93.1	Very high	92.6	Very high	30 Å²	30	58.3 Å²	58.3	16%	0.157	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.1	-178.9	-83.5	75.7	0	0	0	110.7	C226 A232 E259 C276 V277 A278	C226-L234 HydrophobicContact CB-CD2 4.23Å; A232-L234 HydrophobicContact CB-CD1 4Å; A232-L234 WeakPolarHBondContact O-CD1 3.38Å; L234-E259 WeakPolarHBondContact CB-OE2 3.3Å; L234-E259 WeakPolarHBondContact CD1-OE1 3.43Å; L234-E259 HydrophobicContact CD2-CB 4.37Å; L234-E259 HydrophobicContact CD2-CG 4.07Å; L234-E259 WeakPolarHBondContact CD2-OE1 3.17Å; L234-E259 VanDerWaalsContact CD2-OE2 3.31Å; L234-E259 WeakPolarHBondContact CD2-OE2 3.18Å; L234-C276 VanDerWaalsContact CD2-SG 3.52Å; L234-V277 CarbonylContact C-O 3.49Å; L234-V277 WeakPolarHBondContact CA-O 3.47Å; L234-A278 HydrophobicContact CD1-CB 4.05Å; L234-A278 HydrophobicContact CG-CB 4.03Å
235	T	95.1	Very high	92.5	Very high	43 Å²	43	65.4 Å²	65.4	26%	0.264	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.7	175.7	-54.6	0	0	0	0	110.3	Y237 V242 V277	T235-Y237 HydrophobicContact CG2-CD2 4.29Å; T235-Y237 HydrophobicContact CG2-CE2 3.5Å; T235-Y237 VanDerWaalsContact CG2-CE2 3.5Å; T235-V242 HydrophobicContact CG2-CG1 4.11Å; T235-V277 PolarHBondContact N-O 3.47Å; T235-V277 PolarHBondContact O-N 3.5Å
236	W	96.4	Very high	92.5	Very high	3 Å²	3	66.5 Å²	66.5	1%	0.011	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	144.5	-179.7	-69.1	82.9	0	0	0	111.5	L208 F222 L243 I251 L261 K275 C276	L208-W236 HydrophobicContact CD1-CH2 4.42Å; L208-W236 HydrophobicContact CD1-CZ3 3.82Å; L208-W236 HydrophobicContact CD2-CH2 3.64Å; L208-W236 HydrophobicContact CD2-CZ3 3.75Å; L208-W236 HydrophobicContact CG-CZ3 4.41Å; F222-W236 HydrophobicContact CB-CH2 4.22Å; F222-W236 HydrophobicContact CB-CZ3 4.01Å; W236-L243 HydrophobicContact CB-CB 4.2Å; W236-L243 HydrophobicContact CB-CD1 4.31Å; W236-L243 PolarHBondContact O-N 2.8Å; W236-I251 HydrophobicContact CG-CD1 4.43Å; W236-L261 HydrophobicContact CB-CD2 4.42Å; W236-L261 HydrophobicContact CD2-CB 3.96Å; W236-L261 HydrophobicContact CD2-CD2 3.89Å; W236-L261 HydrophobicContact CD2-CG 4.45Å; W236-L261 HydrophobicContact CE3-CB 3.86Å; W236-L261 HydrophobicContact CE3-CD2 3.42Å; W236-L261 VanDerWaalsContact CE3-CD2 3.42Å; W236-L261 HydrophobicContact CE3-CG 4.26Å; W236-L261 HydrophobicContact CG-CD2 4.34Å; W236-L261 HydrophobicContact CH2-CB 3.74Å; W236-L261 HydrophobicContact CZ2-CB 3.92Å; W236-L261 HydrophobicContact CZ3-CB 3.74Å; W236-L261 HydrophobicContact CZ3-CD2 3.88Å; W236-L261 HydrophobicContact CZ3-CG 4.48Å; W236-K275 CarbonylContact C-O 3.59Å; W236-K275 WeakPolarHBondContact CA-O 3.47Å; W236-C276 HydrophobicContact CD2-CB 4.08Å; W236-C276 HydrophobicContact CE3-CB 3.94Å; W236-C276 HydrophobicContact CH2-CB 4.14Å; W236-C276 HydrophobicContact CZ2-CB 4.19Å; W236-C276 HydrophobicContact CZ3-CB 3.98Å
237	Y	96.4	Very high	92.4	Very high	54 Å²	54	73 Å²	73	21%	0.212	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.3	-179.4	-60.1	-104.9	0	0	0	110.3	T235 T241 V242 Y274 K275 V277	T235-Y237 HydrophobicContact CG2-CD2 4.29Å; T235-Y237 HydrophobicContact CG2-CE2 3.5Å; T235-Y237 VanDerWaalsContact CG2-CE2 3.5Å; Y237-T241 CarbonylContact C-O 3.53Å; Y237-T241 WeakPolarHBondContact CA-O 3.47Å; Y237-V242 HydrophobicContact CD1-CG2 3.91Å; Y237-V242 HydrophobicContact CE1-CB 4.47Å; Y237-V242 HydrophobicContact CE1-CG2 3.44Å; Y237-V242 VanDerWaalsContact CE1-CG2 3.44Å; Y237-Y274 CarbonylContact O-C 3.58Å; Y237-Y274 VanDerWaalsContact O-CA 3.29Å; Y237-Y274 WeakPolarHBondContact O-CA 3.47Å; Y237-K275 PolarHBondContact N-O 3.05Å; Y237-K275 PolarHBondContact O-N 3.28Å; Y237-V277 HydrophobicContact CD2-CG2 3.92Å; Y237-V277 HydrophobicContact CE2-CB 4.01Å; Y237-V277 HydrophobicContact CE2-CG2 3.5Å; Y237-V277 VanDerWaalsContact CE2-CG2 3.5Å
238	H	95.7	Very high	92.5	Very high	35 Å²	35	76.1 Å²	76.1	16%	0.162	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	120.1	167.3	172.3	-128.1	0	0	0	108.9	D240 T241 L243 D270 V273 Y274	H238-D240 PolarHBondContact O-N 3.41Å; H238-T241 PolarHBondContact N-O 2.9Å; H238-T241 WeakPolarHBondContact O-CB 3.37Å; H238-T241 PolarHBondContact O-N 3.49Å; H238-L243 HydrophobicContact CB-CD1 3.9Å; H238-L243 HydrophobicContact CB-CD2 3.71Å; H238-L243 HydrophobicContact CB-CG 3.79Å; H238-D270 PolarHBondContact NE2-O 3.23Å; H238-V273 WeakPolarHBondContact CA-O 3.08Å; H238-Y274 HydrophobicContact CB-CD1 4.39Å; H238-Y274 HydrophobicContact CB-CE1 4.09Å; H238-Y274 AromaticContact CD2-CE2 3.54Å; H238-Y274 AromaticContact CD2-CZ 3.52Å
239	N	93	Very high	92.7	Very high	75 Å²	75	76.4 Å²	76.4	40%	0.401	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.3	49.1	-175.9	-60.8	-34.9	0	0	0	111.9	T241 G272 V273	N239-T241 PolarHBondContact O-N 2.96Å; N239-T241 VanDerWaalsContact O-N 3.09Å; N239-G272 VanDerWaalsContact OD1-CA 3.29Å; N239-G272 WeakPolarHBondContact OD1-CA 3.38Å; N239-V273 PolarHBondContact N-O 2.75Å; N239-V273 PolarHBondContact OD1-N 3.28Å
240	D	92.2	Very high	92.9	Very high	124 Å²	124	75.1 Å²	75.1	66%	0.663	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	7.5	-178.5	-59.1	-53.6	0	0	0	116.3	H238 K275	H238-D240 PolarHBondContact O-N 3.41Å; D240-K275 IonicContact OD1-NZ 2.94Å; D240-K275 PolarHBondContact OD1-NZ 3.2Å
241	T	95.6	Very high	92.9	Very high	99 Å²	99	75.2 Å²	75.2	61%	0.607	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.7	171.3	-52.2	0	0	0	0	109.7	Y237 H238 N239 L243	Y237-T241 CarbonylContact C-O 3.53Å; Y237-T241 WeakPolarHBondContact CA-O 3.47Å; H238-T241 PolarHBondContact N-O 2.9Å; H238-T241 WeakPolarHBondContact O-CB 3.37Å; H238-T241 PolarHBondContact O-N 3.49Å; N239-T241 PolarHBondContact O-N 2.96Å; N239-T241 VanDerWaalsContact O-N 3.09Å; T241-L243 PolarHBondContact O-N 2.84Å
242	V	95.2	Very high	92.7	Very high	82 Å²	82	72.1 Å²	72.1	50%	0.497	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	132.5	178.1	179.2	0	0	0	0	110.1	T235 Y237	T235-V242 HydrophobicContact CG2-CG1 4.11Å; Y237-V242 HydrophobicContact CD1-CG2 3.91Å; Y237-V242 HydrophobicContact CE1-CB 4.47Å; Y237-V242 HydrophobicContact CE1-CG2 3.44Å; Y237-V242 VanDerWaalsContact CE1-CG2 3.44Å
243	L	93.6	Very high	92.4	Very high	29 Å²	29	76.6 Å²	76.6	15%	0.152	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-92	117.6	173.1	-75.3	173.6	0	0	0	109.9	W236 H238 T241 L261 Y274	W236-L243 HydrophobicContact CB-CB 4.2Å; W236-L243 HydrophobicContact CB-CD1 4.31Å; W236-L243 PolarHBondContact O-N 2.8Å; H238-L243 HydrophobicContact CB-CD1 3.9Å; H238-L243 HydrophobicContact CB-CD2 3.71Å; H238-L243 HydrophobicContact CB-CG 3.79Å; T241-L243 PolarHBondContact O-N 2.84Å; L243-L261 HydrophobicContact CD1-CD2 3.76Å; L243-Y274 HydrophobicContact CD1-CD1 3.85Å; L243-Y274 HydrophobicContact CD1-CE1 3.81Å
244	E	90.8	Very high	91.8	Very high	155 Å²	155	72.2 Å²	72.2	72%	0.724	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-82.2	140.4	172	-64.1	-178.4	174	0	0	111	N246 N249	E244-N246 PolarHBondContact O-N 3.26Å; E244-N246 PolarHBondContact O-ND2 2.94Å; E244-N249 PolarHBondContact O-ND2 2.76Å
245	K	90.2	Very high	90.9	Very high	150 Å²	150	80.7 Å²	80.7	65%	0.652	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-67.2	126.9	173.2	-176.7	178.1	178.8	172.4	0	109.7	I251	K245-I251 HydrophobicContact CB-CD1 4.46Å
246	N	92.6	Very high	89.8	Confident	75 Å²	75	83 Å²	83	40%	0.401	42%	0.42	S	S	.	.	S	Bend	trans	-155	-172.6	177.7	59.4	49.5	0	0	0	110.2	E244 R248 N249	E244-N246 PolarHBondContact O-N 3.26Å; E244-N246 PolarHBondContact O-ND2 2.94Å; N246-R248 PolarHBondContact O-N 2.97Å; N246-R248 WeakPolarHBondContact OD1-CA 3.37Å; N246-R248 WeakPolarHBondContact OD1-CB 3.45Å; N246-R248 PolarHBondContact OD1-N 3.15Å; N246-N249 PolarHBondContact N-O 3.3Å; N246-N249 VanDerWaalsContact N-O 3.12Å; N246-N249 CarbonylContact O-C 3.6Å; N246-N249 PolarHBondContact O-N 2.85Å; N246-N249 VanDerWaalsContact O-O 3.06Å; N246-N249 PolarHBondContact OD1-N 2.88Å
247	D	89.7	Confident	88.9	Confident	148 Å²	148	87.7 Å²	87.7	79%	0.791	44%	0.442	S	S	*	.	S	Bend	trans	-62.4	-25.5	-178.2	-68.1	-25.1	0	0	0	113.9	K264	D247-K264 WeakPolarHBondContact O-CD 3.45Å
248	R	92.7	Very high	88.5	Confident	100 Å²	100	85.3 Å²	85.3	38%	0.377	43%	0.433	S	S	.	.	S	Bend	trans	-89.4	-43.8	178.2	-172	-179.4	-178.6	-159.9	-4.4	112	N246 I262 K264 D270	N246-R248 PolarHBondContact O-N 2.97Å; N246-R248 WeakPolarHBondContact OD1-CA 3.37Å; N246-R248 WeakPolarHBondContact OD1-CB 3.45Å; N246-R248 PolarHBondContact OD1-N 3.15Å; R248-I262 VanDerWaalsContact O-O 3.08Å; R248-K264 WeakPolarHBondContact CG-O 3.09Å; R248-K264 PolarHBondContact O-N 2.75Å; R248-D270 IonicContact CZ-OD1 2.75Å; R248-D270 IonicContact CZ-OD2 3.3Å; R248-D270 IonicContact NH1-OD1 2.78Å; R248-D270 IonicContact NH2-OD1 3.17Å; R248-D270 PolarHBondContact NH2-OD1 2.94Å; R248-D270 IonicContact NH2-OD2 3.06Å; R248-D270 PolarHBondContact NH2-OD2 3.13Å
249	N	92.9	Very high	88.2	Confident	21 Å²	21	84.7 Å²	84.7	11%	0.112	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	87.5	-179.2	-57.9	-18.3	0	0	0	109	E244 N246 L261 I263	E244-N249 PolarHBondContact O-ND2 2.76Å; N246-N249 PolarHBondContact N-O 3.3Å; N246-N249 VanDerWaalsContact N-O 3.12Å; N246-N249 CarbonylContact O-C 3.6Å; N246-N249 PolarHBondContact O-N 2.85Å; N246-N249 VanDerWaalsContact O-O 3.06Å; N246-N249 PolarHBondContact OD1-N 2.88Å; N249-L261 HydrophobicContact CB-CD1 4.49Å; N249-I263 HydrophobicContact CB-CD1 4.46Å; N249-I263 WeakPolarHBondContact OD1-CD1 3.43Å
250	V	91.6	Very high	88.3	Confident	34 Å²	34	84 Å²	84	21%	0.206	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.8	-176.1	-176.5	0	0	0	0	109.7	V252 I262 K264	V250-V252 HydrophobicContact CG1-CG2 3.97Å; V250-I262 HydrophobicContact CB-CB 4.33Å; V250-I262 PolarHBondContact N-O 3.49Å; V250-I262 PolarHBondContact O-N 3.03Å; V250-K264 HydrophobicContact CG2-CD 4.47Å
251	I	89.3	Confident	88.4	Confident	35 Å²	35	78.2 Å²	78.2	18%	0.179	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.5	172.3	-59	169.8	0	0	0	108.7	W236 K245 K260 L261	W236-I251 HydrophobicContact CG-CD1 4.43Å; K245-I251 HydrophobicContact CB-CD1 4.46Å; I251-K260 WeakPolarHBondContact CA-O 3.41Å; I251-L261 HydrophobicContact CG1-CD1 3.98Å
252	V	86.7	Confident	88.5	Confident	52 Å²	52	75.2 Å²	75.2	32%	0.315	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.8	178.3	-176.1	0	0	0	0	108.9	V250 E259 K260 I262	V250-V252 HydrophobicContact CG1-CG2 3.97Å; V252-E259 WeakPolarHBondContact O-CA 3.48Å; V252-K260 HydrophobicContact CB-CB 4.35Å; V252-K260 PolarHBondContact N-O 2.93Å; V252-K260 PolarHBondContact O-N 3.45Å; V252-I262 HydrophobicContact CG2-CD1 4.01Å
253	I	84.1	Confident	88.5	Confident	117 Å²	117	71.4 Å²	71.4	60%	0.6	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.7	176	-53.3	177	0	0	0	107.3	E259	I253-E259 HydrophobicContact CG1-CG 4.08Å; I253-E259 HydrophobicContact CG2-CG 4.26Å
254	N	80.9	Confident	88.5	Confident	56 Å²	56	74.3 Å²	74.3	30%	0.299	36%	0.361	S	S	.	.			trans	-91	158.9	178.5	-60.6	-46.9	0	0	0	111.1	N256 Q257 T258	N254-N256 WeakPolarHBondContact CB-OD1 3.23Å; N254-N256 PolarHBondContact O-N 3.2Å; N254-Q257 PolarHBondContact O-N 3.48Å; N254-T258 WeakPolarHBondContact CB-O 3.38Å; N254-T258 PolarHBondContact N-O 3.32Å; N254-T258 PolarHBondContact ND2-O 2.75Å
255	E	73.9	Confident	88.6	Confident	207 Å²	207	73 Å²	73	97%	0.967	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.1	-179.9	-62.5	-177.1	171.4	0	0	113.8	Q257	E255-Q257 VanDerWaalsContact C-N 3.31Å; E255-Q257 PolarHBondContact O-N 2.91Å
256	N	73.1	Confident	88.7	Confident	93 Å²	93	66 Å²	66	50%	0.497	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	25	-178.6	68.9	-5.1	0	0	0	114	K225 N254 T258	K225-N256 WeakPolarHBondContact CE-O 3.49Å; N254-N256 WeakPolarHBondContact CB-OD1 3.23Å; N254-N256 PolarHBondContact O-N 3.2Å; N256-T258 PolarHBondContact ND2-OG1 2.98Å; N256-T258 PolarHBondContact O-N 2.82Å; N256-T258 VanDerWaalsContact O-N 3.13Å; N256-T258 WeakPolarHBondContact OD1-CB 3.45Å; N256-T258 PolarHBondContact OD1-N 3.3Å; N256-T258 PolarHBondContact OD1-OG1 3.38Å
257	Q	77.4	Confident	88.7	Confident	101 Å²	101	65.3 Å²	65.3	47%	0.472	32%	0.321	S	S	.	.	S	Bend	trans	58.9	20.1	-176.7	-56.5	178.7	-5.3	0	0	114.3	N254 E255	N254-Q257 PolarHBondContact O-N 3.48Å; E255-Q257 VanDerWaalsContact C-N 3.31Å; E255-Q257 PolarHBondContact O-N 2.91Å
258	T	86.6	Confident	88.6	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.6	172.8	-58.8	0	0	0	0	109.3	E223 C224 N254 N256	E223-T258 HydrophobicContact CG-CG2 3.58Å; E223-T258 VanDerWaalsContact OE1-CG2 3.23Å; E223-T258 WeakPolarHBondContact OE1-CG2 3.4Å; C224-T258 WeakPolarHBondContact O-CA 3.42Å; N254-T258 WeakPolarHBondContact CB-O 3.38Å; N254-T258 PolarHBondContact N-O 3.32Å; N254-T258 PolarHBondContact ND2-O 2.75Å; N256-T258 PolarHBondContact ND2-OG1 2.98Å; N256-T258 PolarHBondContact O-N 2.82Å; N256-T258 VanDerWaalsContact O-N 3.13Å; N256-T258 WeakPolarHBondContact OD1-CB 3.45Å; N256-T258 PolarHBondContact OD1-N 3.3Å; N256-T258 PolarHBondContact OD1-OG1 3.38Å
259	E	90.6	Very high	88.6	Confident	23 Å²	23	61.9 Å²	61.9	11%	0.107	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.3	175.3	-66.4	-160	-161.3	0	0	111.2	E223 C224 L234 V252 I253	E223-E259 WeakPolarHBondContact CA-O 3.47Å; C224-E259 PolarHBondContact N-O 2.86Å; C224-E259 PolarHBondContact O-N 2.94Å; L234-E259 WeakPolarHBondContact CB-OE2 3.3Å; L234-E259 WeakPolarHBondContact CD1-OE1 3.43Å; L234-E259 HydrophobicContact CD2-CB 4.37Å; L234-E259 HydrophobicContact CD2-CG 4.07Å; L234-E259 WeakPolarHBondContact CD2-OE1 3.17Å; L234-E259 VanDerWaalsContact CD2-OE2 3.31Å; L234-E259 WeakPolarHBondContact CD2-OE2 3.18Å; V252-E259 WeakPolarHBondContact O-CA 3.48Å; I253-E259 HydrophobicContact CG1-CG 4.08Å; I253-E259 HydrophobicContact CG2-CG 4.26Å
260	K	93.9	Very high	88.6	Confident	61 Å²	61	61.6 Å²	61.6	27%	0.265	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.1	178.4	-68.6	179.2	174.5	-175.8	0	109.9	T221 F222 E223 I251 V252	T221-K260 HydrophobicContact CG2-CB 4.05Å; T221-K260 HydrophobicContact CG2-CD 4.14Å; T221-K260 HydrophobicContact CG2-CG 4.12Å; F222-K260 CarbonylContact O-C 3.55Å; F222-K260 VanDerWaalsContact O-CA 3.23Å; F222-K260 WeakPolarHBondContact O-CA 3.33Å; E223-K260 HydrophobicContact CB-CG 4.12Å; E223-K260 HydrophobicContact CG-CG 3.85Å; E223-K260 VanDerWaalsContact OE1-CE 3.29Å; E223-K260 WeakPolarHBondContact OE1-CE 3.45Å; E223-K260 IonicContact OE1-NZ 3.39Å; E223-K260 VanDerWaalsContact OE2-CE 3.26Å; E223-K260 WeakPolarHBondContact OE2-CE 3.3Å; E223-K260 IonicContact OE2-NZ 3.84Å; I251-K260 WeakPolarHBondContact CA-O 3.41Å; V252-K260 HydrophobicContact CB-CB 4.35Å; V252-K260 PolarHBondContact N-O 2.93Å; V252-K260 PolarHBondContact O-N 3.45Å
261	L	95.8	Very high	88.7	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	115.3	164.5	170.3	66.1	0	0	0	108.2	T221 F222 W236 L243 N249 I251 I263 Y274	T221-L261 WeakPolarHBondContact CA-O 3.35Å; F222-L261 HydrophobicContact CB-CB 4.26Å; F222-L261 PolarHBondContact N-O 3.43Å; F222-L261 PolarHBondContact O-N 3.09Å; W236-L261 HydrophobicContact CB-CD2 4.42Å; W236-L261 HydrophobicContact CD2-CB 3.96Å; W236-L261 HydrophobicContact CD2-CD2 3.89Å; W236-L261 HydrophobicContact CD2-CG 4.45Å; W236-L261 HydrophobicContact CE3-CB 3.86Å; W236-L261 HydrophobicContact CE3-CD2 3.42Å; W236-L261 VanDerWaalsContact CE3-CD2 3.42Å; W236-L261 HydrophobicContact CE3-CG 4.26Å; W236-L261 HydrophobicContact CG-CD2 4.34Å; W236-L261 HydrophobicContact CH2-CB 3.74Å; W236-L261 HydrophobicContact CZ2-CB 3.92Å; W236-L261 HydrophobicContact CZ3-CB 3.74Å; W236-L261 HydrophobicContact CZ3-CD2 3.88Å; W236-L261 HydrophobicContact CZ3-CG 4.48Å; L243-L261 HydrophobicContact CD1-CD2 3.76Å; N249-L261 HydrophobicContact CB-CD1 4.49Å; I251-L261 HydrophobicContact CG1-CD1 3.98Å; L261-I263 HydrophobicContact CD1-CD1 3.91Å; L261-I263 HydrophobicContact CD2-CD1 4.1Å; L261-I263 HydrophobicContact CG-CD1 3.92Å; L261-I263 HydrophobicContact CG-CG1 4.49Å; L261-Y274 HydrophobicContact CD2-CD1 3.82Å; L261-Y274 HydrophobicContact CD2-CE1 4.26Å
262	I	96.1	Very high	88.9	Confident	37 Å²	37	60.5 Å²	60.5	19%	0.19	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118	176.6	-54.4	172.4	0	0	0	108.3	D219 I220 T221 R248 V250 V252 K264	D219-I262 HydrophobicContact CB-CG2 4.35Å; I220-I262 CarbonylContact O-C 3.52Å; I220-I262 VanDerWaalsContact O-CA 3.32Å; I220-I262 WeakPolarHBondContact O-CA 3.29Å; T221-I262 HydrophobicContact CG2-CG1 4.18Å; R248-I262 VanDerWaalsContact O-O 3.08Å; V250-I262 HydrophobicContact CB-CB 4.33Å; V250-I262 PolarHBondContact N-O 3.49Å; V250-I262 PolarHBondContact O-N 3.03Å; V252-I262 HydrophobicContact CG2-CD1 4.01Å; I262-K264 HydrophobicContact CG2-CG 4.32Å
263	I	95.9	Very high	89.4	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	102.6	170	-51.1	-58.1	0	0	0	107.2	D219 I220 N249 L261 A266 Y274	D219-I263 WeakPolarHBondContact CA-O 3.3Å; I220-I263 PolarHBondContact N-O 3.28Å; I220-I263 PolarHBondContact O-N 2.9Å; N249-I263 HydrophobicContact CB-CD1 4.46Å; N249-I263 WeakPolarHBondContact OD1-CD1 3.43Å; L261-I263 HydrophobicContact CD1-CD1 3.91Å; L261-I263 HydrophobicContact CD2-CD1 4.1Å; L261-I263 HydrophobicContact CG-CD1 3.92Å; L261-I263 HydrophobicContact CG-CG1 4.49Å; I263-A266 HydrophobicContact CG2-CB 4.03Å; I263-Y274 HydrophobicContact CD1-CE1 4.07Å; I263-Y274 HydrophobicContact CG1-CE1 4.13Å
264	K	94.4	Very high	90	Very high	90 Å²	90	54 Å²	54	39%	0.391	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	140	178.2	-66.4	-169.5	-175.4	161	0	110.7	D219 D247 R248 V250 I262 A266	D219-K264 WeakPolarHBondContact OD1-CA 3.26Å; D247-K264 WeakPolarHBondContact O-CD 3.45Å; R248-K264 WeakPolarHBondContact CG-O 3.09Å; R248-K264 PolarHBondContact O-N 2.75Å; V250-K264 HydrophobicContact CG2-CD 4.47Å; I262-K264 HydrophobicContact CG2-CG 4.32Å; K264-A266 VanDerWaalsContact C-N 3.29Å; K264-A266 PolarHBondContact O-N 2.92Å
265	K	92.4	Very high	90.7	Very high	128 Å²	128	53.5 Å²	53.5	56%	0.557	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.7	50.7	173.5	-56.9	-177	156.7	-140.8	0	111.7	E217 D219	E217-K265 HydrophobicContact CG-CB 3.66Å; E217-K265 HydrophobicContact CG-CG 4.09Å; E217-K265 WeakPolarHBondContact OE1-CB 3.34Å; E217-K265 WeakPolarHBondContact OE1-CD 3.3Å; E217-K265 WeakPolarHBondContact OE1-CE 3.38Å; E217-K265 WeakPolarHBondContact OE1-CG 3.39Å; E217-K265 IonicContact OE1-NZ 3.71Å; E217-K265 PolarHBondContact OE1-NZ 3.43Å; E217-K265 VanDerWaalsContact OE1-NZ 3.16Å; D219-K265 PolarHBondContact OD1-N 3.13Å
266	A	93.3	Very high	91.7	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	145.8	-176.2	0	0	0	0	0	110.8	L213 S218 I220 I263 K264 D270	L213-A266 HydrophobicContact CD1-CB 3.67Å; S218-A266 PolarHBondContact O-N 3.49Å; I220-A266 HydrophobicContact CB-CB 4.23Å; I220-A266 HydrophobicContact CG1-CB 3.55Å; I263-A266 HydrophobicContact CG2-CB 4.03Å; K264-A266 VanDerWaalsContact C-N 3.29Å; K264-A266 PolarHBondContact O-N 2.92Å; A266-D270 VanDerWaalsContact CA-OD2 3.28Å; A266-D270 WeakPolarHBondContact CA-OD2 3.47Å
267	V	91.2	Very high	92.8	Very high	61 Å²	61	40.4 Å²	40.4	37%	0.37	22%	0.216	S	C	.	.			trans	-132.7	166.8	-177	-67.3	0	0	0	0	110.7	L213 T269 D270	L213-V267 VanDerWaalsContact CD2-O 3.23Å; L213-V267 WeakPolarHBondContact CD2-O 3.5Å; V267-T269 WeakPolarHBondContact CG2-OG1 3.48Å; V267-T269 PolarHBondContact O-N 3.06Å; V267-D270 WeakPolarHBondContact CG2-OD2 3.37Å; V267-D270 PolarHBondContact N-OD2 2.7Å; V267-D270 VanDerWaalsContact O-CB 3.31Å; V267-D270 WeakPolarHBondContact O-CB 3.15Å; V267-D270 PolarHBondContact O-N 2.75Å
268	A	89	Confident	93.6	Very high	60 Å²	60	35.6 Å²	35.6	50%	0.496	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-55.5	-24.3	-175	0	0	0	0	0	115.2	D270 V271 L293	A268-D270 VanDerWaalsContact C-N 3.27Å; A268-D270 PolarHBondContact O-N 2.75Å; A268-V271 WeakPolarHBondContact O-CB 3.38Å; A268-V271 WeakPolarHBondContact O-CG2 3.34Å; A268-L293 HydrophobicContact CB-CD1 4.05Å; A268-L293 HydrophobicContact CB-CD2 4.08Å
269	T	90.9	Very high	94	Very high	117 Å²	117	41 Å²	41	72%	0.718	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-75.1	-13.9	175.8	54	0	0	0	0	113.9	V267 V271	V267-T269 WeakPolarHBondContact CG2-OG1 3.48Å; V267-T269 PolarHBondContact O-N 3.06Å; T269-V271 VanDerWaalsContact C-N 3.28Å
270	D	93.7	Very high	94	Very high	14 Å²	14	40.7 Å²	40.7	8%	0.075	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-84.6	-6.8	178.2	-55.1	-33	0	0	0	112.4	H238 R248 A266 V267 A268 G272 Y274 L291	H238-D270 PolarHBondContact NE2-O 3.23Å; R248-D270 IonicContact CZ-OD1 2.75Å; R248-D270 IonicContact CZ-OD2 3.3Å; R248-D270 IonicContact NH1-OD1 2.78Å; R248-D270 IonicContact NH2-OD1 3.17Å; R248-D270 PolarHBondContact NH2-OD1 2.94Å; R248-D270 IonicContact NH2-OD2 3.06Å; R248-D270 PolarHBondContact NH2-OD2 3.13Å; A266-D270 VanDerWaalsContact CA-OD2 3.28Å; A266-D270 WeakPolarHBondContact CA-OD2 3.47Å; V267-D270 WeakPolarHBondContact CG2-OD2 3.37Å; V267-D270 PolarHBondContact N-OD2 2.7Å; V267-D270 VanDerWaalsContact O-CB 3.31Å; V267-D270 WeakPolarHBondContact O-CB 3.15Å; V267-D270 PolarHBondContact O-N 2.75Å; A268-D270 VanDerWaalsContact C-N 3.27Å; A268-D270 PolarHBondContact O-N 2.75Å; D270-G272 PolarHBondContact O-N 3.12Å; D270-Y274 VanDerWaalsContact O-CE2 3.31Å; D270-Y274 WeakPolarHBondContact O-CE2 3.3Å; D270-Y274 PolarHBondContact O-OH 3.42Å; D270-L291 HydrophobicContact CB-CD2 4.09Å; D270-L291 WeakPolarHBondContact O-CD2 3.29Å
271	V	93.6	Very high	93.9	Very high	41 Å²	41	44.3 Å²	44.3	25%	0.248	24%	0.235	C	C	.	.			trans	-60	131.2	174.3	172.3	0	0	0	0	109.3	L213 A268 T269 L291 L293	L213-V271 HydrophobicContact CD2-CG2 4.34Å; A268-V271 WeakPolarHBondContact O-CB 3.38Å; A268-V271 WeakPolarHBondContact O-CG2 3.34Å; T269-V271 VanDerWaalsContact C-N 3.28Å; V271-L291 WeakPolarHBondContact CG1-O 3.26Å; V271-L293 HydrophobicContact CG2-CD1 3.98Å; V271-L293 HydrophobicContact CG2-CD2 4.23Å; V271-L293 HydrophobicContact CG2-CG 3.56Å
272	G	94.2	Very high	93.5	Very high	6 Å²	6	46.4 Å²	46.4	6%	0.062	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.5	-167.4	-173.5	0	0	0	0	0	112.8	N239 D270 R290 L291	N239-G272 VanDerWaalsContact OD1-CA 3.29Å; N239-G272 WeakPolarHBondContact OD1-CA 3.38Å; D270-G272 PolarHBondContact O-N 3.12Å; G272-R290 CarbonylContact O-C 3.48Å; G272-R290 VanDerWaalsContact O-CA 3.3Å; G272-R290 WeakPolarHBondContact O-CA 3.23Å; G272-L291 PolarHBondContact N-O 2.7Å; G272-L291 PolarHBondContact O-N 2.77Å
273	V	95.9	Very high	93.1	Very high	29 Å²	29	45.5 Å²	45.5	18%	0.176	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.9	174.8	-178	0	0	0	0	108.6	H238 N239 A289 R290 L722	H238-V273 WeakPolarHBondContact CA-O 3.08Å; N239-V273 PolarHBondContact N-O 2.75Å; N239-V273 PolarHBondContact OD1-N 3.28Å; V273-A289 WeakPolarHBondContact CA-O 3.39Å; V273-R290 HydrophobicContact CG2-CG 4.25Å; V273-L722 HydrophobicContact CG1-CB 4.2Å; V273-L722 HydrophobicContact CG1-CD1 4.33Å; V273-L722 HydrophobicContact CG2-CB 4.01Å
274	Y	96.9	Very high	92.9	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.4	170.5	-71.8	-101.3	0	0	0	108.8	F222 Y237 H238 L243 L261 I263 D270 S288 A289 L291	F222-Y274 HydrophobicContact CD2-CD1 4.17Å; F222-Y274 HydrophobicContact CD2-CD2 4.45Å; F222-Y274 HydrophobicContact CD2-CG 4.06Å; F222-Y274 AromaticContact CE2-CD1 3.95Å; F222-Y274 HydrophobicContact CE2-CD1 3.95Å; F222-Y274 AromaticContact CE2-CD2 3.52Å; F222-Y274 HydrophobicContact CE2-CD2 3.52Å; F222-Y274 HydrophobicContact CE2-CE1 4.27Å; F222-Y274 AromaticContact CE2-CE2 3.91Å; F222-Y274 HydrophobicContact CE2-CE2 3.91Å; F222-Y274 AromaticContact CE2-CG 3.56Å; F222-Y274 HydrophobicContact CE2-CG 3.56Å; F222-Y274 AromaticContact CZ-CD2 3.57Å; F222-Y274 HydrophobicContact CZ-CD2 3.57Å; F222-Y274 HydrophobicContact CZ-CE2 4.22Å; F222-Y274 AromaticContact CZ-CG 3.85Å; F222-Y274 HydrophobicContact CZ-CG 3.85Å; Y237-Y274 CarbonylContact O-C 3.58Å; Y237-Y274 VanDerWaalsContact O-CA 3.29Å; Y237-Y274 WeakPolarHBondContact O-CA 3.47Å; H238-Y274 HydrophobicContact CB-CD1 4.39Å; H238-Y274 HydrophobicContact CB-CE1 4.09Å; H238-Y274 AromaticContact CD2-CE2 3.54Å; H238-Y274 AromaticContact CD2-CZ 3.52Å; L243-Y274 HydrophobicContact CD1-CD1 3.85Å; L243-Y274 HydrophobicContact CD1-CE1 3.81Å; L261-Y274 HydrophobicContact CD2-CD1 3.82Å; L261-Y274 HydrophobicContact CD2-CE1 4.26Å; I263-Y274 HydrophobicContact CD1-CE1 4.07Å; I263-Y274 HydrophobicContact CG1-CE1 4.13Å; D270-Y274 VanDerWaalsContact O-CE2 3.31Å; D270-Y274 WeakPolarHBondContact O-CE2 3.3Å; D270-Y274 PolarHBondContact O-OH 3.42Å; Y274-S288 CarbonylContact O-C 3.58Å; Y274-S288 WeakPolarHBondContact O-CA 3.44Å; Y274-S288 WeakPolarHBondContact O-CB 3.46Å; Y274-A289 PolarHBondContact N-O 2.97Å; Y274-A289 PolarHBondContact O-N 3.25Å; Y274-A289 VanDerWaalsContact O-O 3.11Å; Y274-L291 HydrophobicContact CD2-CB 4.02Å; Y274-L291 HydrophobicContact CE2-CB 3.64Å; Y274-L291 HydrophobicContact CE2-CD2 4.16Å
275	K	96.3	Very high	92.8	Very high	45 Å²	45	47.3 Å²	47.3	20%	0.196	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.8	-177.3	171.6	178.8	71.6	-168.2	0	109.4	W236 Y237 D240 V277 C287 S288	W236-K275 CarbonylContact C-O 3.59Å; W236-K275 WeakPolarHBondContact CA-O 3.47Å; Y237-K275 PolarHBondContact N-O 3.05Å; Y237-K275 PolarHBondContact O-N 3.28Å; D240-K275 IonicContact OD1-NZ 2.94Å; D240-K275 PolarHBondContact OD1-NZ 3.2Å; K275-V277 HydrophobicContact CD-CG2 4.23Å; K275-V277 HydrophobicContact CG-CG2 4.09Å; K275-C287 WeakPolarHBondContact CA-O 3.08Å; K275-S288 VanDerWaalsContact CB-OG 3.3Å; K275-S288 WeakPolarHBondContact CB-OG 3.15Å; K275-S288 VanDerWaalsContact CG-OG 3.3Å; K275-S288 WeakPolarHBondContact CG-OG 3.47Å
276	C	95.6	Very high	92.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.6	170.3	-174.8	0	0	0	0	108.1	F204 L208 L234 W236 S286 C287	F204-C276 HydrophobicContact CZ-CB 4.33Å; L208-C276 HydrophobicContact CD1-CB 4Å; L234-C276 VanDerWaalsContact CD2-SG 3.52Å; W236-C276 HydrophobicContact CD2-CB 4.08Å; W236-C276 HydrophobicContact CE3-CB 3.94Å; W236-C276 HydrophobicContact CH2-CB 4.14Å; W236-C276 HydrophobicContact CZ2-CB 4.19Å; W236-C276 HydrophobicContact CZ3-CB 3.98Å; C276-S286 VanDerWaalsContact O-CA 3.26Å; C276-S286 WeakPolarHBondContact O-CA 3.5Å; C276-C287 PolarHBondContact N-O 2.97Å; C276-C287 PolarHBondContact O-N 3.04Å
277	V	95.7	Very high	92.9	Very high	25 Å²	25	43.1 Å²	43.1	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.6	174.5	-178.6	0	0	0	0	107.4	L234 T235 Y237 K275	L234-V277 CarbonylContact C-O 3.49Å; L234-V277 WeakPolarHBondContact CA-O 3.47Å; T235-V277 PolarHBondContact N-O 3.47Å; T235-V277 PolarHBondContact O-N 3.5Å; Y237-V277 HydrophobicContact CD2-CG2 3.92Å; Y237-V277 HydrophobicContact CE2-CB 4.01Å; Y237-V277 HydrophobicContact CE2-CG2 3.5Å; Y237-V277 VanDerWaalsContact CE2-CG2 3.5Å; K275-V277 HydrophobicContact CD-CG2 4.23Å; K275-V277 HydrophobicContact CG-CG2 4.09Å
278	A	94.1	Very high	93.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.7	175.2	0	0	0	0	0	108.8	P202 F204 C226 A232 E233 L234 H284 T285	P202-A278 HydrophobicContact CB-CB 3.78Å; P202-A278 HydrophobicContact CG-CB 4.38Å; F204-A278 HydrophobicContact CE2-CB 4.37Å; F204-A278 HydrophobicContact CZ-CB 3.99Å; C226-A278 VanDerWaalsContact SG-CB 3.56Å; A232-A278 HydrophobicContact CB-CB 4.12Å; E233-A278 WeakPolarHBondContact O-CA 3.4Å; L234-A278 HydrophobicContact CD1-CB 4.05Å; L234-A278 HydrophobicContact CG-CB 4.03Å; A278-H284 CarbonylContact O-C 3.54Å; A278-H284 WeakPolarHBondContact O-CA 3.35Å; A278-H284 WeakPolarHBondContact O-CB 3.45Å; A278-T285 HydrophobicContact CB-CG2 4.39Å; A278-T285 PolarHBondContact N-O 2.6Å; A278-T285 PolarHBondContact O-N 3.33Å
279	E	94.4	Very high	93.4	Very high	116 Å²	116	39.5 Å²	39.5	54%	0.542	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.1	-177	-176.8	167.6	-171	0	0	111.2	A232 E233 H284	A232-E279 CarbonylContact C-O 3.57Å; A232-E279 VanDerWaalsContact CA-O 3.23Å; A232-E279 WeakPolarHBondContact CA-O 3.42Å; A232-E279 WeakPolarHBondContact CB-O 3.31Å; E233-E279 PolarHBondContact N-O 2.88Å; E233-E279 PolarHBondContact O-N 2.92Å; E279-H284 HydrophobicContact CB-CB 4.07Å; E279-H284 HydrophobicContact CG-CB 4.12Å
280	N	92	Very high	93.6	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	179.7	164.6	74	8.1	0	0	0	109.2	H200 P202 P230 A232 I282 G283	H200-N280 PolarHBondContact O-ND2 2.82Å; P202-N280 WeakPolarHBondContact CD-OD1 3.15Å; P202-N280 HydrophobicContact CG-CB 4.15Å; P230-N280 PolarHBondContact O-ND2 3.21Å; A232-N280 HydrophobicContact CB-CB 4.48Å; N280-I282 PolarHBondContact O-N 3.43Å; N280-I282 WeakPolarHBondContact OD1-CA 3.38Å; N280-I282 WeakPolarHBondContact OD1-CB 3.15Å; N280-I282 PolarHBondContact OD1-N 3.42Å; N280-G283 PolarHBondContact N-O 3.5Å; N280-G283 PolarHBondContact O-N 3.34Å; N280-G283 VanDerWaalsContact O-O 3.04Å; N280-G283 PolarHBondContact OD1-N 3.42Å; N280-G283 VanDerWaalsContact OD1-N 3.14Å; N280-G283 PolarHBondContact OD1-O 3.16Å
281	E	91.3	Very high	93.6	Very high	136 Å²	136	34.2 Å²	34.2	64%	0.636	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.8	-178.9	65.2	-175.8	177.1	0	0	115.3	R199 P230	R199-E281 IonicContact CZ-OE1 3.44Å; R199-E281 IonicContact NE-OE1 2.71Å; R199-E281 PolarHBondContact NE-OE1 3.05Å; R199-E281 IonicContact NH2-OE1 2.89Å; R199-E281 PolarHBondContact NH2-OE1 2.88Å; R199-E281 IonicContact NH2-OE2 3.3Å; P230-E281 WeakPolarHBondContact CD-OE1 3.25Å; P230-E281 HydrophobicContact CG-CG 4.3Å; P230-E281 WeakPolarHBondContact CG-OE1 3.19Å
282	I	87.1	Confident	93.5	Very high	45 Å²	45	34.2 Å²	34.2	23%	0.231	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-31.7	-178	-55.4	171.2	0	0	0	110.6	T188 R199 H200 A201 N229 N280	T188-I282 HydrophobicContact CG2-CG2 4.48Å; R199-I282 HydrophobicContact CB-CD1 3.69Å; H200-I282 VanDerWaalsContact N-CD1 3.31Å; A201-I282 HydrophobicContact CB-CB 4.34Å; A201-I282 HydrophobicContact CB-CG2 4.07Å; N229-I282 WeakPolarHBondContact O-CD1 3.26Å; N280-I282 PolarHBondContact O-N 3.43Å; N280-I282 WeakPolarHBondContact OD1-CA 3.38Å; N280-I282 WeakPolarHBondContact OD1-CB 3.15Å; N280-I282 PolarHBondContact OD1-N 3.42Å
283	G	88.1	Confident	93.2	Very high	19 Å²	19	37.5 Å²	37.5	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-170	178.8	0	0	0	0	0	113	P202 N280	P202-G283 WeakPolarHBondContact CD-O 3.18Å; N280-G283 PolarHBondContact N-O 3.5Å; N280-G283 PolarHBondContact O-N 3.34Å; N280-G283 VanDerWaalsContact O-O 3.04Å; N280-G283 PolarHBondContact OD1-N 3.42Å; N280-G283 VanDerWaalsContact OD1-N 3.14Å; N280-G283 PolarHBondContact OD1-O 3.16Å
284	H	91.3	Very high	92.8	Very high	124 Å²	124	36.2 Å²	36.2	57%	0.574	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	158.3	179	62.4	-91	0	0	0	110.7	A278 E279	A278-H284 CarbonylContact O-C 3.54Å; A278-H284 WeakPolarHBondContact O-CA 3.35Å; A278-H284 WeakPolarHBondContact O-CB 3.45Å; E279-H284 HydrophobicContact CB-CB 4.07Å; E279-H284 HydrophobicContact CG-CB 4.12Å
285	T	91.3	Very high	92.2	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.025	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	163.9	165.5	-173	0	0	0	0	108.8	P202 F204 A278	P202-T285 HydrophobicContact CB-CG2 4.11Å; P202-T285 WeakPolarHBondContact O-CG2 3.39Å; F204-T285 HydrophobicContact CD2-CG2 3.67Å; F204-T285 HydrophobicContact CE2-CG2 3.63Å; A278-T285 HydrophobicContact CB-CG2 4.39Å; A278-T285 PolarHBondContact N-O 2.6Å; A278-T285 PolarHBondContact O-N 3.33Å
286	S	94	Very high	91.7	Very high	41 Å²	41	41.7 Å²	41.7	29%	0.287	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	152.1	175.1	67.8	0	0	0	0	111.6	R207 C276	R207-S286 PolarHBondContact NH2-O 3.47Å; C276-S286 VanDerWaalsContact O-CA 3.26Å; C276-S286 WeakPolarHBondContact O-CA 3.5Å
287	C	94.5	Very high	91.3	Very high	1 Å²	1	42 Å²	42	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.5	165.1	64.8	0	0	0	0	109.8	F204 R207 K275 C276	F204-C287 HydrophobicContact CD2-CB 3.85Å; F204-C287 VanDerWaalsContact CE1-SG 3.54Å; F204-C287 HydrophobicContact CE2-CB 3.97Å; F204-C287 VanDerWaalsContact CE2-SG 3.59Å; F204-C287 HydrophobicContact CG-CB 4.23Å; F204-C287 HydrophobicContact CZ-CB 4.46Å; F204-C287 WeakPolarHBondContact CZ-SG 3.42Å; R207-C287 HydrophobicContact CB-CB 4.05Å; R207-C287 HydrophobicContact CG-CB 4.17Å; K275-C287 WeakPolarHBondContact CA-O 3.08Å; C276-C287 PolarHBondContact N-O 2.97Å; C276-C287 PolarHBondContact O-N 3.04Å
288	S	95.8	Very high	91.1	Very high	43 Å²	43	44.6 Å²	44.6	30%	0.301	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	149.6	-175.5	-56	0	0	0	0	110.4	Y274 K275 L722	Y274-S288 CarbonylContact O-C 3.58Å; Y274-S288 WeakPolarHBondContact O-CA 3.44Å; Y274-S288 WeakPolarHBondContact O-CB 3.46Å; K275-S288 VanDerWaalsContact CB-OG 3.3Å; K275-S288 WeakPolarHBondContact CB-OG 3.15Å; K275-S288 VanDerWaalsContact CG-OG 3.3Å; K275-S288 WeakPolarHBondContact CG-OG 3.47Å; S288-L722 WeakPolarHBondContact O-CD1 3.38Å
289	A	95.6	Very high	91.1	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	168.8	174.9	0	0	0	0	0	110.2	L208 R209 F222 V273 Y274	L208-A289 HydrophobicContact CB-CB 3.52Å; R209-A289 WeakPolarHBondContact O-CB 3.39Å; F222-A289 HydrophobicContact CD1-CB 4.24Å; F222-A289 HydrophobicContact CE1-CB 3.9Å; V273-A289 WeakPolarHBondContact CA-O 3.39Å; Y274-A289 PolarHBondContact N-O 2.97Å; Y274-A289 PolarHBondContact O-N 3.25Å; Y274-A289 VanDerWaalsContact O-O 3.11Å
290	R	94.2	Very high	91.1	Very high	20 Å²	20	45.9 Å²	45.9	8%	0.075	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	145.2	175.8	-65.8	-179.4	57.6	84.8	6.3	110.9	T210 V211 G272 V273 I292 L722 D724 R727	T210-R290 CarbonylContact C-O 3.53Å; T210-R290 VanDerWaalsContact CA-O 3.29Å; T210-R290 WeakPolarHBondContact CA-O 3.5Å; T210-R290 HydrophobicContact CG2-CB 4.12Å; T210-R290 WeakPolarHBondContact CG2-O 3.5Å; V211-R290 PolarHBondContact N-O 3.36Å; G272-R290 CarbonylContact O-C 3.48Å; G272-R290 VanDerWaalsContact O-CA 3.3Å; G272-R290 WeakPolarHBondContact O-CA 3.23Å; V273-R290 HydrophobicContact CG2-CG 4.25Å; R290-I292 HydrophobicContact CB-CG2 3.93Å; R290-L722 HydrophobicContact CG-CB 4.24Å; R290-L722 HydrophobicContact CG-CD1 4.32Å; R290-L722 PolarHBondContact NH1-O 2.79Å; R290-D724 IonicContact CZ-OD1 2.92Å; R290-D724 VanDerWaalsContact CZ-OD1 3.23Å; R290-D724 IonicContact NH1-OD1 3.46Å; R290-D724 PolarHBondContact NH1-OD1 3.44Å; R290-D724 IonicContact NH2-OD1 3.25Å; R290-D724 PolarHBondContact NH2-OD1 2.92Å; R290-R727 VanDerWaalsContact NH2-NH1 3.19Å
291	L	94.3	Very high	91.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.9	151.8	-172.8	54.5	0	0	0	107	V211 L213 I220 F222 D270 V271 G272 Y274	V211-L291 HydrophobicContact CB-CD1 4.25Å; V211-L291 HydrophobicContact CG1-CD1 4.45Å; V211-L291 WeakPolarHBondContact O-CA 3.07Å; V211-L291 WeakPolarHBondContact O-CD1 3.42Å; L213-L291 HydrophobicContact CB-CD1 3.82Å; L213-L291 HydrophobicContact CB-CD2 4.41Å; L213-L291 HydrophobicContact CB-CG 4.12Å; L213-L291 HydrophobicContact CD2-CD2 4.49Å; I220-L291 HydrophobicContact CD1-CD1 4.49Å; I220-L291 HydrophobicContact CG1-CD1 4.33Å; I220-L291 HydrophobicContact CG2-CD1 3.74Å; I220-L291 HydrophobicContact CG2-CD2 4.47Å; F222-L291 HydrophobicContact CE2-CB 4.36Å; F222-L291 HydrophobicContact CZ-CB 3.94Å; F222-L291 HydrophobicContact CZ-CD1 4.48Å; D270-L291 HydrophobicContact CB-CD2 4.09Å; D270-L291 WeakPolarHBondContact O-CD2 3.29Å; V271-L291 WeakPolarHBondContact CG1-O 3.26Å; G272-L291 PolarHBondContact N-O 2.7Å; G272-L291 PolarHBondContact O-N 2.77Å; Y274-L291 HydrophobicContact CD2-CB 4.02Å; Y274-L291 HydrophobicContact CE2-CB 3.64Å; Y274-L291 HydrophobicContact CE2-CD2 4.16Å
292	I	90.8	Very high	91.5	Very high	42 Å²	42	46 Å²	46	22%	0.215	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	146.8	175.8	62	173.3	0	0	0	110	T210 V211 I212 L213 R290 G294	T210-I292 HydrophobicContact CG2-CD1 3.95Å; T210-I292 HydrophobicContact CG2-CG1 3.99Å; T210-I292 HydrophobicContact CG2-CG2 4.18Å; V211-I292 PolarHBondContact O-N 3.25Å; I212-I292 CarbonylContact C-O 3.58Å; I212-I292 WeakPolarHBondContact CA-O 3.31Å; I212-I292 HydrophobicContact CG1-CD1 4.08Å; I212-I292 HydrophobicContact CG1-CG1 3.91Å; L213-I292 PolarHBondContact N-O 3.37Å; R290-I292 HydrophobicContact CB-CG2 3.93Å; I292-G294 PolarHBondContact O-N 3.24Å
293	L	89.2	Confident	92	Very high	75 Å²	75	43.9 Å²	43.9	39%	0.393	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	127.1	167.2	-78.6	159.4	0	0	0	108.7	L213 L215 A268 V271	L213-L293 HydrophobicContact CB-CD2 4.45Å; L213-L293 HydrophobicContact CD2-CD2 3.93Å; L213-L293 HydrophobicContact CG-CD2 4.17Å; L215-L293 HydrophobicContact CD2-CD2 4.43Å; A268-L293 HydrophobicContact CB-CD1 4.05Å; A268-L293 HydrophobicContact CB-CD2 4.08Å; V271-L293 HydrophobicContact CG2-CD1 3.98Å; V271-L293 HydrophobicContact CG2-CD2 4.23Å; V271-L293 HydrophobicContact CG2-CG 3.56Å
294	G	86.5	Confident	92.4	Very high	2 Å²	2	46.8 Å²	46.8	2%	0.021	24%	0.235	C	C	.	.			trans	-86.2	159	167.6	0	0	0	0	0	111.2	I212 L213 L215 I292 G324 C380	I212-G294 VanDerWaalsContact CG2-CA 3.42Å; L213-G294 PolarHBondContact O-N 2.96Å; L215-G294 WeakPolarHBondContact CD2-O 3.26Å; L215-G294 WeakPolarHBondContact CG-O 3.35Å; I292-G294 PolarHBondContact O-N 3.24Å; G294-G324 CarbonylContact C-O 3.5Å; G294-G324 VanDerWaalsContact CA-O 3.23Å; G294-G324 WeakPolarHBondContact CA-O 3.48Å; G294-C380 VanDerWaalsContact CA-SG 3.59Å
295	D	83.9	Confident	92.7	Very high	78 Å²	78	42.3 Å²	42.3	42%	0.417	22%	0.215	S	C	.	.			trans	-130.6	173.9	169.9	-158.1	-8.3	0	0	0	109.1	Y322 G324 C380	D295-Y322 HydrophobicContact CB-CE1 4.15Å; D295-G324 PolarHBondContact N-O 2.89Å; D295-G324 WeakPolarHBondContact O-CA 3.22Å; D295-C380 WeakPolarHBondContact O-CB 3.34Å; D295-C380 PolarHBondContact O-SG 2.93Å; D295-C380 VanDerWaalsContact O-SG 3.34Å
296	L	86.2	Confident	92.9	Very high	86 Å²	86	46.8 Å²	46.8	45%	0.45	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-64.2	142.6	170.1	-66.2	176.1	0	0	0	110.1	C380	L296-C380 WeakPolarHBondContact CD2-O 3.45Å
297	P	88.2	Confident	93	Very high	7 Å²	7	48.7 Å²	48.7	5%	0.045	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-67.3	151.7	173.4	28.6	-33.9	0	0	0	110.5	T376 T378 S383	P297-T376 HydrophobicContact CB-CG2 3.89Å; P297-T376 HydrophobicContact CG-CG2 3.98Å; P297-T378 HydrophobicContact CB-CG2 3.91Å; P297-T378 WeakPolarHBondContact CD-OG1 3.33Å; P297-T378 HydrophobicContact CG-CG2 3.73Å; P297-S383 VanDerWaalsContact O-CB 3.25Å; P297-S383 WeakPolarHBondContact O-CB 3.35Å
298	D	90.3	Very high	93	Very high	79 Å²	79	49.8 Å²	49.8	42%	0.422	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-61.6	162.4	166	-80.9	-21.2	0	0	0	110.4	P320 Y322 S383	D298-P320 HydrophobicContact CB-CB 3.89Å; D298-P320 WeakPolarHBondContact O-CB 3.1Å; D298-Y322 PolarHBondContact N-O 3.48Å; D298-Y322 WeakPolarHBondContact OD2-CB 3.36Å; D298-Y322 PolarHBondContact OD2-N 3.31Å; D298-S383 VanDerWaalsContact O-CB 3.31Å; D298-S383 WeakPolarHBondContact O-CB 3.42Å
299	R	93.5	Very high	93	Very high	138 Å²	138	47.7 Å²	47.7	52%	0.521	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-69	143.3	171.3	69.2	-176.5	176.4	-166.6	-4.1	110.6	V384	R299-V384 HydrophobicContact CB-CG2 3.9Å; R299-V384 VanDerWaalsContact CB-O 3.3Å; R299-V384 WeakPolarHBondContact CB-O 3.32Å
300	P	94.4	Very high	92.9	Very high	4 Å²	4	48.1 Å²	48.1	3%	0.026	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-68.9	171.1	171.4	27.8	-32.3	0	0	0	111.6	D318 Y331 V374	P300-D318 WeakPolarHBondContact CB-O 3.49Å; P300-Y331 HydrophobicContact CB-CE1 4.14Å; P300-V374 HydrophobicContact CB-CG1 4.23Å; P300-V374 HydrophobicContact CG-CB 4.46Å; P300-V374 HydrophobicContact CG-CG1 3.66Å; P300-V374 HydrophobicContact CG-CG2 4.48Å; P300-V374 WeakPolarHBondContact CG-O 3.31Å
301	S	95	Very high	92.9	Very high	37 Å²	37	48.7 Å²	48.7	26%	0.259	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-66.3	167.7	175.6	84.5	0	0	0	0	111.8	P303 D318 S386	S301-P303 WeakPolarHBondContact O-CD 3.45Å; S301-D318 WeakPolarHBondContact CB-OD2 3.41Å; S301-D318 PolarHBondContact N-O 3.16Å; S301-D318 VanDerWaalsContact N-O 3.14Å; S301-D318 WeakPolarHBondContact OG-CB 3.31Å; S301-D318 PolarHBondContact OG-N 2.66Å; S301-D318 PolarHBondContact OG-OD2 3.07Å; S301-S386 WeakPolarHBondContact O-CB 3.44Å
302	R	97.4	Very high	93	Very high	119 Å²	119	49.2 Å²	49.2	45%	0.449	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-64.7	125.5	178.3	-177.3	-177	-169.7	175	5.6	108.6	D304 L387 S388 S389	R302-D304 PolarHBondContact O-N 3.31Å; R302-L387 HydrophobicContact CB-CB 4.34Å; R302-L387 HydrophobicContact CG-CB 4.22Å; R302-S388 VanDerWaalsContact CZ-O 3.28Å; R302-S388 PolarHBondContact NE-O 3.44Å; R302-S388 PolarHBondContact NH2-O 2.83Å; R302-S388 VanDerWaalsContact NH2-O 3.09Å; R302-S389 PolarHBondContact NH2-O 3.14Å
303	P	97.7	Very high	93.2	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-62	125.5	176.2	5.5	-4.7	0	0	0	110.5	S301 I315 V374 S386 L387 S389	S301-P303 WeakPolarHBondContact O-CD 3.45Å; P303-I315 HydrophobicContact CB-CG2 3.49Å; P303-I315 VanDerWaalsContact CB-CG2 3.49Å; P303-V374 HydrophobicContact CB-CG1 4.49Å; P303-V374 HydrophobicContact CG-CB 4.49Å; P303-V374 HydrophobicContact CG-CG1 3.91Å; P303-S386 VanDerWaalsContact CD-OG 3.27Å; P303-S386 WeakPolarHBondContact CD-OG 3.18Å; P303-L387 VanDerWaalsContact CD-O 3.32Å; P303-L387 WeakPolarHBondContact CD-O 2.99Å; P303-S389 WeakPolarHBondContact O-CA 3.39Å; P303-S389 VanDerWaalsContact O-CB 3.27Å; P303-S389 WeakPolarHBondContact O-CB 3.28Å
304	D	97.5	Very high	93.6	Very high	80 Å²	80	43.7 Å²	43.7	43%	0.428	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.3	178.3	-171.1	34.7	0	0	0	110.2	R302 I315 V316	R302-D304 PolarHBondContact O-N 3.31Å; D304-I315 CarbonylContact O-C 3.5Å; D304-I315 WeakPolarHBondContact O-CA 3.32Å; D304-V316 PolarHBondContact N-O 3.04Å; D304-V316 PolarHBondContact O-N 3.11Å
305	I	97	Very high	94.1	Very high	30 Å²	30	43.6 Å²	43.6	15%	0.154	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	105.8	-177.4	-56.4	171.7	0	0	0	106.8	V313 I315 F372 I392	I305-V313 HydrophobicContact CG2-CB 4.35Å; I305-I315 HydrophobicContact CG1-CG1 4.23Å; I305-I315 HydrophobicContact CG1-CG2 4.41Å; I305-F372 HydrophobicContact CD1-CD2 3.83Å; I305-F372 HydrophobicContact CD1-CE2 4.2Å; I305-I392 HydrophobicContact CD1-CB 3.7Å; I305-I392 HydrophobicContact CD1-CG1 4.49Å; I305-I392 HydrophobicContact CD1-CG2 3.6Å; I305-I392 HydrophobicContact CG2-CD1 4.49Å; I305-I392 HydrophobicContact CG2-CG1 4.31Å
306	Q	94.8	Very high	94.6	Very high	97 Å²	97	40.7 Å²	40.7	45%	0.453	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-37.2	-172.3	-64.3	-167.9	5	0	0	112.9	F314 V316	Q306-F314 HydrophobicContact CB-CD1 3.88Å; Q306-F314 HydrophobicContact CB-CE1 4.19Å; Q306-F314 PolarHBondContact N-O 3.31Å; Q306-V316 HydrophobicContact CG-CG2 4.41Å
307	L	95.7	Very high	95	Very high	82 Å²	82	36.8 Å²	36.8	43%	0.429	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	150.7	-180	-54.4	170.3	0	0	0	111.2	V313 F314 L402 L407	L307-V313 WeakPolarHBondContact O-CA 3.31Å; L307-F314 HydrophobicContact CB-CB 4.05Å; L307-F314 HydrophobicContact CD1-CD1 4.2Å; L307-F314 HydrophobicContact CG-CD1 4.27Å; L307-F314 PolarHBondContact O-N 3.07Å; L307-L402 HydrophobicContact CB-CD2 3.67Å; L307-L402 HydrophobicContact CD1-CD2 4.49Å; L307-L407 HydrophobicContact CD1-CD2 3.94Å
308	A	95.5	Very high	95.1	Very high	23 Å²	23	41.6 Å²	41.6	19%	0.19	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	142	175.1	0	0	0	0	0	111.1	E312 V313 I392 H395	A308-E312 CarbonylContact C-O 3.59Å; A308-E312 WeakPolarHBondContact CA-O 3.35Å; A308-V313 HydrophobicContact CB-CG1 3.89Å; A308-I392 HydrophobicContact CB-CD1 4.33Å; A308-I392 HydrophobicContact CB-CG1 4.43Å; A308-H395 PolarHBondContact O-CE1 3.37Å; A308-H395 PolarHBondContact O-ND1 3.45Å
309	S	95.3	Very high	95	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.			trans	-106.9	-156.6	164.3	72.8	0	0	0	0	109.8	T311 E312 H395 P400	S309-T311 PolarHBondContact OG-N 2.88Å; S309-E312 PolarHBondContact N-O 2.81Å; S309-E312 VanDerWaalsContact OG-CB 3.29Å; S309-E312 WeakPolarHBondContact OG-CB 3.39Å; S309-E312 PolarHBondContact OG-N 3.46Å; S309-E312 PolarHBondContact OG-O 2.74Å; S309-H395 PolarHBondContact O-N 3.32Å; S309-H395 PolarHBondContact O-ND1 2.92Å; S309-P400 WeakPolarHBondContact CB-O 3.37Å
310	D	94.4	Very high	94.8	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.053	18%	0.176	C	C	.	.	S	Bend	trans	-81.9	-21.7	171.7	63.3	-15.3	0	0	0	113.1	E365 P366 H395 R396 R397 G398 A399 K401	D310-E365 CarbonylContact O-C 3.49Å; D310-P366 HydrophobicContact CB-CB 4.26Å; D310-P366 HydrophobicContact CB-CG 4.37Å; D310-P366 VanDerWaalsContact O-CA 3.24Å; D310-P366 WeakPolarHBondContact O-CA 3.35Å; D310-H395 WeakPolarHBondContact CA-O 3.1Å; D310-H395 HydrophobicContact CB-CB 4.4Å; D310-H395 WeakPolarHBondContact CB-O 3.38Å; D310-R396 WeakPolarHBondContact CB-O 3.31Å; D310-R397 WeakPolarHBondContact OD2-CA 3.46Å; D310-G398 PolarHBondContact OD2-N 3.32Å; D310-A399 HydrophobicContact CB-CB 4.05Å; D310-K401 IonicContact OD1-NZ 2.67Å; D310-K401 PolarHBondContact OD1-NZ 3.45Å; D310-K401 IonicContact OD2-NZ 3.89Å
311	T	93.7	Very high	94.2	Very high	32 Å²	32	38.1 Å²	38.1	20%	0.196	22%	0.216	C	C	.	.	S	Bend	trans	-135.1	6.2	-177.8	69.8	0	0	0	0	114.2	S309 K362 R363 L364 P366 K401	S309-T311 PolarHBondContact OG-N 2.88Å; T311-K362 CarbonylContact O-C 3.4Å; T311-K362 WeakPolarHBondContact O-CA 3.46Å; T311-R363 PolarHBondContact O-N 3.05Å; T311-L364 WeakPolarHBondContact CA-O 3.32Å; T311-L364 WeakPolarHBondContact CB-O 3.31Å; T311-L364 WeakPolarHBondContact CG2-O 3.47Å; T311-L364 VanDerWaalsContact O-CD1 3.27Å; T311-L364 WeakPolarHBondContact O-CD1 3.43Å; T311-L364 PolarHBondContact O-N 2.89Å; T311-P366 HydrophobicContact CG2-CG 4.22Å; T311-K401 PolarHBondContact OG1-NZ 3.23Å
312	E	95.3	Very high	93.5	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.056	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.4	-173.8	-50.9	168.1	165.7	0	0	110.6	A308 S309 V360 V361 K362 L402	A308-E312 CarbonylContact C-O 3.59Å; A308-E312 WeakPolarHBondContact CA-O 3.35Å; S309-E312 PolarHBondContact N-O 2.81Å; S309-E312 VanDerWaalsContact OG-CB 3.29Å; S309-E312 WeakPolarHBondContact OG-CB 3.39Å; S309-E312 PolarHBondContact OG-N 3.46Å; S309-E312 PolarHBondContact OG-O 2.74Å; E312-V360 HydrophobicContact CB-CG1 4.37Å; E312-V361 CarbonylContact C-O 3.18Å; E312-V361 WeakPolarHBondContact CA-O 3.37Å; E312-K362 HydrophobicContact CG-CB 4.2Å; E312-K362 HydrophobicContact CG-CG 4.07Å; E312-K362 WeakPolarHBondContact OE1-CE 3.43Å; E312-K362 IonicContact OE1-NZ 2.64Å; E312-K362 PolarHBondContact OE1-NZ 2.91Å; E312-L402 HydrophobicContact CB-CD1 3.89Å; E312-L402 HydrophobicContact CB-CG 4.12Å; E312-L402 PolarHBondContact OE2-N 3.28Å; E312-L402 VanDerWaalsContact OE2-N 3.14Å
313	V	96.7	Very high	92.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.9	171.7	-65	0	0	0	0	110	I305 L307 A308 I315 V360 V361 L364 F372 T394	I305-V313 HydrophobicContact CG2-CB 4.35Å; L307-V313 WeakPolarHBondContact O-CA 3.31Å; A308-V313 HydrophobicContact CB-CG1 3.89Å; V313-I315 HydrophobicContact CG2-CD1 3.98Å; V313-I315 HydrophobicContact CG2-CG1 4.07Å; V313-V360 CarbonylContact O-C 3.39Å; V313-V360 VanDerWaalsContact O-CA 3.31Å; V313-V360 WeakPolarHBondContact O-CA 3.31Å; V313-V361 HydrophobicContact CG2-CB 3.88Å; V313-V361 HydrophobicContact CG2-CG2 4.34Å; V313-V361 PolarHBondContact N-O 2.85Å; V313-V361 PolarHBondContact O-N 2.85Å; V313-L364 HydrophobicContact CG1-CD1 4.48Å; V313-L364 HydrophobicContact CG1-CD2 3.92Å; V313-L364 HydrophobicContact CG2-CD1 4.07Å; V313-L364 HydrophobicContact CG2-CD2 3.98Å; V313-F372 HydrophobicContact CG2-CE2 4.08Å; V313-F372 HydrophobicContact CG2-CZ 3.85Å; V313-T394 HydrophobicContact CG1-CG2 4.34Å
314	F	95.7	Very high	91.6	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.8	173.7	174.3	-126	0	0	0	109.5	Q306 L307 V316 A358 V359 V360 L402 L407 F411 L413	Q306-F314 HydrophobicContact CB-CD1 3.88Å; Q306-F314 HydrophobicContact CB-CE1 4.19Å; Q306-F314 PolarHBondContact N-O 3.31Å; L307-F314 HydrophobicContact CB-CB 4.05Å; L307-F314 HydrophobicContact CD1-CD1 4.2Å; L307-F314 HydrophobicContact CG-CD1 4.27Å; L307-F314 PolarHBondContact O-N 3.07Å; F314-V316 HydrophobicContact CD1-CG2 4.39Å; F314-V316 HydrophobicContact CE1-CG2 3.56Å; F314-V316 HydrophobicContact CE2-CG2 3.81Å; F314-V316 HydrophobicContact CZ-CG2 3.21Å; F314-A358 HydrophobicContact CE2-CB 4.07Å; F314-A358 HydrophobicContact CZ-CB 4.45Å; F314-V359 WeakPolarHBondContact CA-O 3.46Å; F314-V360 HydrophobicContact CB-CG2 4.16Å; F314-V360 HydrophobicContact CD2-CG2 3.94Å; F314-V360 HydrophobicContact CG-CG2 4.47Å; F314-L402 HydrophobicContact CB-CD1 3.97Å; F314-L407 HydrophobicContact CB-CD1 4.11Å; F314-L407 HydrophobicContact CD1-CD1 4.23Å; F314-L407 HydrophobicContact CD1-CD2 3.72Å; F314-L407 HydrophobicContact CD2-CD1 3.91Å; F314-L407 HydrophobicContact CD2-CD2 4.45Å; F314-L407 HydrophobicContact CE1-CD2 3.62Å; F314-L407 HydrophobicContact CE2-CD1 4.41Å; F314-L407 HydrophobicContact CE2-CD2 4.36Å; F314-L407 HydrophobicContact CG-CD1 3.82Å; F314-L407 HydrophobicContact CG-CD2 4.15Å; F314-L407 HydrophobicContact CZ-CD2 3.96Å; F314-F411 HydrophobicContact CE1-CD2 4.35Å; F314-F411 AromaticContact CE1-CE2 4Å; F314-F411 HydrophobicContact CE1-CE2 4Å; F314-F411 HydrophobicContact CE1-CZ 4.38Å; F314-F411 HydrophobicContact CE2-CD2 4.39Å; F314-F411 HydrophobicContact CZ-CD1 4.35Å; F314-F411 AromaticContact CZ-CD2 3.58Å; F314-F411 HydrophobicContact CZ-CD2 3.58Å; F314-F411 HydrophobicContact CZ-CE1 4.36Å; F314-F411 AromaticContact CZ-CE2 3.62Å; F314-F411 HydrophobicContact CZ-CE2 3.62Å; F314-F411 AromaticContact CZ-CG 3.98Å; F314-F411 HydrophobicContact CZ-CG 3.98Å; F314-F411 HydrophobicContact CZ-CZ 4.02Å; F314-L413 HydrophobicContact CD2-CD1 3.88Å; F314-L413 HydrophobicContact CE2-CD1 3.57Å
315	I	97.3	Very high	90.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.7	-173.4	-43.9	179.9	0	0	0	109	P303 D304 I305 V313 W317 A358 V359 V361 F372	P303-I315 HydrophobicContact CB-CG2 3.49Å; P303-I315 VanDerWaalsContact CB-CG2 3.49Å; D304-I315 CarbonylContact O-C 3.5Å; D304-I315 WeakPolarHBondContact O-CA 3.32Å; I305-I315 HydrophobicContact CG1-CG1 4.23Å; I305-I315 HydrophobicContact CG1-CG2 4.41Å; V313-I315 HydrophobicContact CG2-CD1 3.98Å; V313-I315 HydrophobicContact CG2-CG1 4.07Å; I315-W317 HydrophobicContact CG2-CE3 4.39Å; I315-A358 WeakPolarHBondContact O-CA 3.17Å; I315-V359 HydrophobicContact CB-CG1 3.95Å; I315-V359 HydrophobicContact CG1-CG1 4.46Å; I315-V359 PolarHBondContact N-O 3.12Å; I315-V359 PolarHBondContact O-N 2.85Å; I315-V361 HydrophobicContact CD1-CG2 4.07Å; I315-F372 HydrophobicContact CD1-CB 4.01Å; I315-F372 HydrophobicContact CD1-CD1 3.72Å; I315-F372 HydrophobicContact CD1-CD2 3.67Å; I315-F372 HydrophobicContact CD1-CE1 4.1Å; I315-F372 HydrophobicContact CD1-CE2 4.06Å; I315-F372 HydrophobicContact CD1-CG 3.49Å; I315-F372 VanDerWaalsContact CD1-CG 3.49Å; I315-F372 HydrophobicContact CD1-CZ 4.27Å
316	V	94.9	Very high	89.2	Confident	16 Å²	16	33.4 Å²	33.4	10%	0.097	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.5	177.9	-173.9	0	0	0	0	109.7	D304 Q306 F314 T357 A358 F411	D304-V316 PolarHBondContact N-O 3.04Å; D304-V316 PolarHBondContact O-N 3.11Å; Q306-V316 HydrophobicContact CG-CG2 4.41Å; F314-V316 HydrophobicContact CD1-CG2 4.39Å; F314-V316 HydrophobicContact CE1-CG2 3.56Å; F314-V316 HydrophobicContact CE2-CG2 3.81Å; F314-V316 HydrophobicContact CZ-CG2 3.21Å; V316-T357 WeakPolarHBondContact CA-O 3.1Å; V316-A358 HydrophobicContact CG2-CB 4.29Å; V316-F411 HydrophobicContact CG1-CE1 4.06Å; V316-F411 HydrophobicContact CG2-CE1 4.08Å; V316-F411 HydrophobicContact CG2-CZ 4.32Å
317	W	94.8	Very high	87.8	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.015	19%	0.194	C	C	.	.			trans	-142.7	177	170	59.4	93.5	0	0	0	110.5	I315 Y331 L354 S356 T357 V359 V374	I315-W317 HydrophobicContact CG2-CE3 4.39Å; W317-Y331 AromaticContact CD1-CE1 3.93Å; W317-Y331 AromaticContact CE2-CG 3.94Å; W317-Y331 HydrophobicContact CZ2-CD1 4.29Å; W317-Y331 AromaticContact CZ2-CD2 3.87Å; W317-Y331 HydrophobicContact CZ2-CD2 3.87Å; W317-Y331 AromaticContact CZ2-CG 3.73Å; W317-Y331 HydrophobicContact CZ2-CG 3.73Å; W317-Y331 AromaticContact NE1-CD1 3.3Å; W317-Y331 VanDerWaalsContact NE1-CD1 3.3Å; W317-Y331 AromaticContact NE1-CD2 3.81Å; W317-Y331 AromaticContact NE1-CE1 3.25Å; W317-Y331 VanDerWaalsContact NE1-CE1 3.25Å; W317-Y331 AromaticContact NE1-CE2 3.78Å; W317-Y331 AromaticContact NE1-CG 3.58Å; W317-Y331 AromaticContact NE1-CZ 3.51Å; W317-L354 HydrophobicContact CH2-CD1 3.95Å; W317-L354 HydrophobicContact CZ2-CD1 4.49Å; W317-S356 WeakPolarHBondContact CZ2-O 3.39Å; W317-T357 PolarHBondContact N-O 2.98Å; W317-T357 WeakPolarHBondContact O-CB 3.29Å; W317-T357 PolarHBondContact O-OG1 2.86Å; W317-V359 HydrophobicContact CH2-CB 4.21Å; W317-V359 HydrophobicContact CH2-CG1 3.98Å; W317-V359 HydrophobicContact CZ3-CB 4.26Å; W317-V359 HydrophobicContact CZ3-CG1 3.62Å; W317-V374 HydrophobicContact CB-CG1 4.38Å; W317-V374 HydrophobicContact CD2-CG1 4.01Å; W317-V374 HydrophobicContact CD2-CG2 4.33Å; W317-V374 HydrophobicContact CG-CG1 3.94Å; W317-V374 HydrophobicContact CH2-CG2 4.49Å; W317-V374 HydrophobicContact CZ2-CG2 3.97Å
318	D	91	Very high	86.6	Confident	108 Å²	108	32.1 Å²	32.1	58%	0.578	20%	0.197	S	C	*	.			trans	-106.2	146.6	172.8	-47.6	-66.9	0	0	0	110.2	P300 S301	P300-D318 WeakPolarHBondContact CB-O 3.49Å; S301-D318 WeakPolarHBondContact CB-OD2 3.41Å; S301-D318 PolarHBondContact N-O 3.16Å; S301-D318 VanDerWaalsContact N-O 3.14Å; S301-D318 WeakPolarHBondContact OG-CB 3.31Å; S301-D318 PolarHBondContact OG-N 2.66Å; S301-D318 PolarHBondContact OG-OD2 3.07Å
319	S	87.9	Confident	85.8	Confident	34 Å²	34	31.8 Å²	31.8	24%	0.238	19%	0.192	C	C	.	.			trans	-56.5	152.4	172.3	-57.9	0	0	0	0	111.7	Y331 N600	S319-Y331 WeakPolarHBondContact CA-OH 3.47Å; S319-Y331 PolarHBondContact OG-OH 3.04Å; S319-N600 VanDerWaalsContact OG-CG 3.31Å; S319-N600 PolarHBondContact OG-ND2 3.24Å; S319-N600 PolarHBondContact OG-OD1 2.93Å
320	P	88.6	Confident	85.4	Confident	9 Å²	9	37.5 Å²	37.5	6%	0.058	21%	0.214	C	C	.	.			trans	-62.6	150.8	174.1	28.9	-36.5	0	0	0	111.7	D298 Y322 T323 T376	D298-P320 HydrophobicContact CB-CB 3.89Å; D298-P320 WeakPolarHBondContact O-CB 3.1Å; P320-Y322 VanDerWaalsContact C-N 3.26Å; P320-Y322 PolarHBondContact O-N 3.06Å; P320-T323 HydrophobicContact CG-CG2 4.38Å; P320-T376 HydrophobicContact CG-CG2 4.01Å
321	A	81.1	Confident	85.3	Confident	106 Å²	106	37 Å²	37	88%	0.876	21%	0.212	S	C	*	.	S	Bend	trans	-64.7	-32.7	178.6	0	0	0	0	0	112.5
322	Y	81.1	Confident	85.2	Confident	104 Å²	104	38.1 Å²	38.1	41%	0.408	21%	0.214	S	C	.	.			trans	-129	127.6	174.5	-179.6	-121.6	0	0	0	110.8	D295 D298 P320 G324	D295-Y322 HydrophobicContact CB-CE1 4.15Å; D298-Y322 PolarHBondContact N-O 3.48Å; D298-Y322 WeakPolarHBondContact OD2-CB 3.36Å; D298-Y322 PolarHBondContact OD2-N 3.31Å; P320-Y322 VanDerWaalsContact C-N 3.26Å; P320-Y322 PolarHBondContact O-N 3.06Å; Y322-G324 VanDerWaalsContact C-N 3.34Å; Y322-G324 VanDerWaalsContact CE1-CA 3.42Å
323	T	79.2	Confident	85.2	Confident	33 Å²	33	37.5 Å²	37.5	20%	0.202	21%	0.211	C	C	.	.			trans	-93	14	-177.4	61.5	0	0	0	0	113.3	P320 G325 S326 L329	P320-T323 HydrophobicContact CG-CG2 4.38Å; T323-G325 PolarHBondContact O-N 3.38Å; T323-S326 VanDerWaalsContact CB-O 3.27Å; T323-S326 WeakPolarHBondContact CB-O 3.4Å; T323-S326 WeakPolarHBondContact O-CB 3.48Å; T323-S326 PolarHBondContact O-N 3.36Å; T323-S326 VanDerWaalsContact O-N 3.13Å; T323-S326 PolarHBondContact OG1-O 3.19Å; T323-L329 HydrophobicContact CG2-CD2 3.8Å
324	G	76.7	Confident	85.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	14.1	-176.7	0	0	0	0	0	114	G294 D295 Y322 S326	G294-G324 CarbonylContact C-O 3.5Å; G294-G324 VanDerWaalsContact CA-O 3.23Å; G294-G324 WeakPolarHBondContact CA-O 3.48Å; D295-G324 PolarHBondContact N-O 2.89Å; D295-G324 WeakPolarHBondContact O-CA 3.22Å; Y322-G324 VanDerWaalsContact C-N 3.34Å; Y322-G324 VanDerWaalsContact CE1-CA 3.42Å; G324-S326 PolarHBondContact O-N 2.87Å
325	G	72.4	Confident	85.2	Confident	23 Å²	23	39.8 Å²	39.8	24%	0.237	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-6.7	-170.3	0	0	0	0	0	114.2	I212 T323	I212-G325 WeakPolarHBondContact CD1-O 3.44Å; T323-G325 PolarHBondContact O-N 3.38Å
326	S	71.1	Confident	85	Confident	8 Å²	8	42.5 Å²	42.5	6%	0.056	23%	0.231	C	C	.	.			trans	-70.5	126.5	175.5	-155.3	0	0	0	0	112	T323 G324 S328	T323-S326 VanDerWaalsContact CB-O 3.27Å; T323-S326 WeakPolarHBondContact CB-O 3.4Å; T323-S326 WeakPolarHBondContact O-CB 3.48Å; T323-S326 PolarHBondContact O-N 3.36Å; T323-S326 VanDerWaalsContact O-N 3.13Å; T323-S326 PolarHBondContact OG1-O 3.19Å; G324-S326 PolarHBondContact O-N 2.87Å; S326-S328 PolarHBondContact OG-O 3Å
327	E	66.3	Low	84.8	Confident	79 Å²	79	45.7 Å²	45.7	37%	0.369	24%	0.241	S	C	.	.	S	Bend	trans	-71.9	-52	168.1	-64.6	-170.9	172.8	0	0	108.6	E601 N603	E327-E601 HydrophobicContact CB-CG 3.98Å; E327-E601 VanDerWaalsContact O-CG 3.3Å; E327-E601 WeakPolarHBondContact O-CG 3.21Å; E327-N603 PolarHBondContact OE2-ND2 2.83Å
328	S	69.3	Low	84.3	Confident	72 Å²	72	46.6 Å²	46.6	50%	0.503	25%	0.25	S	C	.	.			trans	-85.6	130.9	179.9	-50.7	0	0	0	0	112.3	S326 E601	S326-S328 PolarHBondContact OG-O 3Å; S328-E601 WeakPolarHBondContact CA-OE1 3.43Å; S328-E601 PolarHBondContact N-OE1 3.04Å
329	L	79.1	Confident	83.6	Confident	17 Å²	17	42.2 Å²	42.2	9%	0.089	23%	0.23	C	C	.	.			trans	-140.7	145.2	-179.9	66.5	102.9	0	0	0	111	T323 Y331 T376 L377 T378 N600	T323-L329 HydrophobicContact CG2-CD2 3.8Å; L329-Y331 HydrophobicContact CD1-CD2 4.23Å; L329-Y331 HydrophobicContact CD1-CE1 4.05Å; L329-Y331 HydrophobicContact CD1-CE2 3.38Å; L329-Y331 WeakPolarHBondContact CD1-OH 3.35Å; L329-T376 HydrophobicContact CB-CG2 4.12Å; L329-T376 HydrophobicContact CD1-CG2 4.27Å; L329-L377 WeakPolarHBondContact CA-O 3.46Å; L329-T378 HydrophobicContact CB-CG2 4.26Å; L329-N600 HydrophobicContact CD2-CB 4.24Å
330	Y	87.3	Confident	82.8	Confident	119 Å²	119	49.6 Å²	49.6	47%	0.467	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	168.9	172	-62.8	-82.6	0	0	0	109.7	L354 D355 T376 L377	Y330-L354 CarbonylContact C-O 3.6Å; Y330-L354 VanDerWaalsContact CA-O 3.24Å; Y330-L354 WeakPolarHBondContact CA-O 3.27Å; Y330-D355 HydrophobicContact CD1-CB 4.26Å; Y330-D355 HydrophobicContact CE1-CB 4.26Å; Y330-T376 CarbonylContact O-C 3.57Å; Y330-L377 PolarHBondContact N-O 3.4Å; Y330-L377 PolarHBondContact O-N 3.32Å
331	Y	91	Very high	82	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.1	176	-59.2	-84.2	0	0	0	111.4	P300 W317 S319 L329 D352 L354 T357 V374 A375 T376	P300-Y331 HydrophobicContact CB-CE1 4.14Å; W317-Y331 AromaticContact CD1-CE1 3.93Å; W317-Y331 AromaticContact CE2-CG 3.94Å; W317-Y331 HydrophobicContact CZ2-CD1 4.29Å; W317-Y331 AromaticContact CZ2-CD2 3.87Å; W317-Y331 HydrophobicContact CZ2-CD2 3.87Å; W317-Y331 AromaticContact CZ2-CG 3.73Å; W317-Y331 HydrophobicContact CZ2-CG 3.73Å; W317-Y331 AromaticContact NE1-CD1 3.3Å; W317-Y331 VanDerWaalsContact NE1-CD1 3.3Å; W317-Y331 AromaticContact NE1-CD2 3.81Å; W317-Y331 AromaticContact NE1-CE1 3.25Å; W317-Y331 VanDerWaalsContact NE1-CE1 3.25Å; W317-Y331 AromaticContact NE1-CE2 3.78Å; W317-Y331 AromaticContact NE1-CG 3.58Å; W317-Y331 AromaticContact NE1-CZ 3.51Å; S319-Y331 WeakPolarHBondContact CA-OH 3.47Å; S319-Y331 PolarHBondContact OG-OH 3.04Å; L329-Y331 HydrophobicContact CD1-CD2 4.23Å; L329-Y331 HydrophobicContact CD1-CE1 4.05Å; L329-Y331 HydrophobicContact CD1-CE2 3.38Å; L329-Y331 WeakPolarHBondContact CD1-OH 3.35Å; Y331-D352 CarbonylContact O-C 3.46Å; Y331-L354 PolarHBondContact N-O 3.08Å; Y331-L354 WeakPolarHBondContact O-CB 3.35Å; Y331-L354 WeakPolarHBondContact O-CG 3.4Å; Y331-L354 PolarHBondContact O-N 2.75Å; Y331-T357 HydrophobicContact CE2-CG2 3.83Å; Y331-T357 WeakPolarHBondContact OH-CG2 3.47Å; Y331-V374 HydrophobicContact CD1-CG2 3.89Å; Y331-V374 HydrophobicContact CG-CG2 4.14Å; Y331-A375 CarbonylContact C-O 3.58Å; Y331-A375 WeakPolarHBondContact CA-O 3.45Å; Y331-T376 HydrophobicContact CE1-CG2 4.4Å; Y331-T376 VanDerWaalsContact CE1-OG1 3.3Å; Y331-T376 WeakPolarHBondContact CE1-OG1 3.09Å
332	K	92.8	Very high	81.7	Confident	54 Å²	54	55.6 Å²	55.6	24%	0.235	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	112	167.5	-169.3	-173.6	-172	-160.7	0	109.7	E334 T349 S351 D352 V374 A375 L377	K332-E334 HydrophobicContact CD-CG 4.32Å; K332-E334 VanDerWaalsContact CE-OE1 3.28Å; K332-E334 WeakPolarHBondContact CE-OE1 3.2Å; K332-E334 HydrophobicContact CG-CG 4.26Å; K332-E334 IonicContact NZ-OE1 3.39Å; K332-E334 PolarHBondContact NZ-OE1 2.86Å; K332-T349 WeakPolarHBondContact CE-OG1 3.49Å; K332-T349 HydrophobicContact CG-CG2 4.03Å; K332-T349 PolarHBondContact NZ-OG1 2.98Å; K332-S351 CarbonylContact C-O 3.54Å; K332-S351 WeakPolarHBondContact CA-O 3.42Å; K332-D352 HydrophobicContact CB-CB 4.36Å; K332-D352 HydrophobicContact CG-CB 4.05Å; K332-V374 CarbonylContact O-C 3.51Å; K332-V374 VanDerWaalsContact O-CA 3.26Å; K332-V374 WeakPolarHBondContact O-CA 3.43Å; K332-A375 HydrophobicContact CB-CB 4.36Å; K332-A375 PolarHBondContact N-O 3.23Å; K332-A375 PolarHBondContact O-N 2.99Å; K332-L377 HydrophobicContact CB-CD1 4.11Å; K332-L377 HydrophobicContact CB-CD2 4.2Å; K332-L377 HydrophobicContact CB-CG 4.17Å
333	L	95.8	Very high	81.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.4	174.1	-176.7	70.1	0	0	0	110.1	I350 S351 L354 V359 V361 F372 V374 V416	L333-I350 HydrophobicContact CD2-CB 4.38Å; L333-I350 HydrophobicContact CD2-CD1 3.8Å; L333-I350 HydrophobicContact CG-CD1 3.99Å; L333-I350 PolarHBondContact O-N 2.96Å; L333-S351 PolarHBondContact N-O 2.79Å; L333-L354 HydrophobicContact CB-CD1 3.54Å; L333-L354 HydrophobicContact CD2-CD1 4.16Å; L333-L354 HydrophobicContact CG-CD1 4.43Å; L333-V359 HydrophobicContact CD2-CG1 3.86Å; L333-V359 HydrophobicContact CD2-CG2 4.32Å; L333-V361 HydrophobicContact CD2-CG2 3.65Å; L333-F372 HydrophobicContact CD1-CB 4.44Å; L333-V374 HydrophobicContact CD1-CB 4.47Å; L333-V416 HydrophobicContact CD2-CG2 4.35Å
334	E	96	Very high	81.5	Confident	17 Å²	17	56.2 Å²	56.2	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	151.7	176.5	-60.2	-178	139.8	0	0	110.9	K332 W347 F348 F372 R373	K332-E334 HydrophobicContact CD-CG 4.32Å; K332-E334 VanDerWaalsContact CE-OE1 3.28Å; K332-E334 WeakPolarHBondContact CE-OE1 3.2Å; K332-E334 HydrophobicContact CG-CG 4.26Å; K332-E334 IonicContact NZ-OE1 3.39Å; K332-E334 PolarHBondContact NZ-OE1 2.86Å; E334-W347 HydrophobicContact CB-CB 4.42Å; E334-W347 HydrophobicContact CB-CE3 4.01Å; E334-F348 CarbonylContact C-O 3.52Å; E334-F348 WeakPolarHBondContact CA-O 3.08Å; E334-F348 WeakPolarHBondContact CB-O 3.34Å; E334-F372 VanDerWaalsContact O-CA 3.32Å; E334-F372 WeakPolarHBondContact O-CA 3.35Å; E334-R373 HydrophobicContact CB-CG 4.11Å; E334-R373 PolarHBondContact N-O 2.93Å; E334-R373 PolarHBondContact O-N 2.77Å; E334-R373 IonicContact OE2-CZ 2.63Å; E334-R373 IonicContact OE2-NE 3.55Å; E334-R373 PolarHBondContact OE2-NE 3.42Å; E334-R373 IonicContact OE2-NH2 3.85Å; E334-R373 PolarHBondContact OE2-NH2 3.07Å
335	Y	95.5	Very high	81.6	Confident	32 Å²	32	59.9 Å²	59.9	13%	0.125	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	157.6	175.1	80.5	-72.3	0	0	0	111.8	W347 F348 I350 Y370 Q371 L418	Y335-W347 CarbonylContact O-C 3.51Å; Y335-W347 WeakPolarHBondContact O-CA 3.31Å; Y335-F348 HydrophobicContact CD1-CB 3.81Å; Y335-F348 WeakPolarHBondContact CD1-O 3.41Å; Y335-F348 HydrophobicContact CE1-CB 3.35Å; Y335-F348 HydrophobicContact CE1-CD2 4.49Å; Y335-F348 HydrophobicContact CE1-CG 4.23Å; Y335-F348 PolarHBondContact N-O 3.02Å; Y335-F348 PolarHBondContact O-N 3.45Å; Y335-I350 HydrophobicContact CD1-CD1 3.83Å; Y335-I350 HydrophobicContact CD1-CG1 3.43Å; Y335-I350 VanDerWaalsContact CD1-CG1 3.43Å; Y335-I350 HydrophobicContact CE1-CG1 4.12Å; Y335-I350 HydrophobicContact CG-CD1 4.11Å; Y335-I350 HydrophobicContact CG-CG1 4.21Å; Y335-Y370 HydrophobicContact CD2-CD1 4.03Å; Y335-Y370 HydrophobicContact CD2-CE1 4.32Å; Y335-Y370 HydrophobicContact CE2-CE1 4.42Å; Y335-Q371 CarbonylContact C-O 3.58Å; Y335-Q371 VanDerWaalsContact CA-O 3.27Å; Y335-Q371 WeakPolarHBondContact CA-O 3.49Å; Y335-L418 HydrophobicContact CD1-CD2 3.48Å; Y335-L418 VanDerWaalsContact CD1-CD2 3.48Å; Y335-L418 HydrophobicContact CD2-CD2 3.66Å; Y335-L418 HydrophobicContact CE1-CD2 3.21Å; Y335-L418 HydrophobicContact CE2-CD2 3.44Å; Y335-L418 VanDerWaalsContact CE2-CD2 3.44Å; Y335-L418 HydrophobicContact CG-CD2 3.68Å
336	R	92.9	Very high	82.4	Confident	57 Å²	57	62.4 Å²	62.4	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.3	161.9	64	176.3	-177	175	-0.1	109.6	W343 W347 Y370 Q371	R336-W343 HydrophobicContact CG-CE3 3.87Å; R336-W343 HydrophobicContact CG-CZ3 4.02Å; R336-W347 HydrophobicContact CB-CD2 4.25Å; R336-W347 HydrophobicContact CB-CE3 4.2Å; R336-W347 HydrophobicContact CB-CZ3 4.47Å; R336-W347 HydrophobicContact CG-CD2 4.24Å; R336-W347 HydrophobicContact CG-CE3 4.17Å; R336-W347 HydrophobicContact CG-CH2 3.93Å; R336-W347 HydrophobicContact CG-CZ2 3.97Å; R336-W347 HydrophobicContact CG-CZ3 4.02Å; R336-Y370 WeakPolarHBondContact O-CA 3.46Å; R336-Q371 HydrophobicContact CG-CB 4.01Å; R336-Q371 PolarHBondContact N-O 3.24Å; R336-Q371 PolarHBondContact O-N 2.64Å
337	R	90.8	Very high	83.5	Confident	82 Å²	82	64.7 Å²	64.7	31%	0.309	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	148.3	174.1	-166.6	178.4	65.1	176.1	-5.3	109.2	F345 E365 I369 Y370	R337-F345 HydrophobicContact CB-CD2 4.49Å; R337-E365 IonicContact CZ-OE2 2.73Å; R337-E365 IonicContact NH1-OE1 3.51Å; R337-E365 PolarHBondContact NH1-OE1 3.14Å; R337-E365 IonicContact NH1-OE2 2.97Å; R337-E365 PolarHBondContact NH1-OE2 3.26Å; R337-I369 CarbonylContact C-O 3.56Å; R337-I369 WeakPolarHBondContact CA-O 3.44Å; R337-I369 WeakPolarHBondContact CG-O 3.46Å; R337-Y370 HydrophobicContact CB-CD1 4.15Å; R337-Y370 HydrophobicContact CB-CE1 4.07Å; R337-Y370 HydrophobicContact CG-CD1 4.16Å; R337-Y370 HydrophobicContact CG-CE1 3.82Å
338	A	84.9	Confident	84.7	Confident	23 Å²	23	64 Å²	64	19%	0.19	32%	0.319	C	S	.	.			trans	-65.9	135.4	166.8	0	0	0	0	0	109.8	W343 I369	A338-W343 HydrophobicContact CB-CE3 4.3Å; A338-W343 HydrophobicContact CB-CH2 4.25Å; A338-W343 HydrophobicContact CB-CZ2 4.46Å; A338-W343 HydrophobicContact CB-CZ3 4.16Å; A338-I369 HydrophobicContact CB-CB 3.78Å; A338-I369 HydrophobicContact CB-CG2 3.82Å; A338-I369 PolarHBondContact N-O 3.17Å
339	G	77	Confident	85.8	Confident	16 Å²	16	63.4 Å²	63.4	17%	0.165	31%	0.312	C	S	.	.			trans	-72.4	-179.6	164.2	0	0	0	0	0	111.7	N341 D342	G339-N341 PolarHBondContact O-N 3.45Å; G339-D342 WeakPolarHBondContact CA-O 3.28Å; G339-D342 PolarHBondContact N-O 3.12Å
340	E	71	Confident	86.4	Confident	189 Å²	189	63.8 Å²	63.8	88%	0.883	31%	0.314	S	S	*	.	S	Bend	trans	-57.6	-35	179	-72.8	-179.8	167.9	0	0	112.3
341	N	70.5	Confident	86.4	Confident	152 Å²	152	59.4 Å²	59.4	81%	0.813	30%	0.301	S	S	*	.	S	Bend	trans	-131.4	-5.3	-172.4	-62	-52.9	0	0	0	114.8	G339	G339-N341 PolarHBondContact O-N 3.45Å
342	D	76.2	Confident	86.2	Confident	89 Å²	89	63.3 Å²	63.3	48%	0.476	32%	0.322	S	S	.	.	S	Bend	trans	-163.9	-171.3	-175.6	69.2	-3.3	0	0	0	113.3	G339 S344	G339-D342 WeakPolarHBondContact CA-O 3.28Å; G339-D342 PolarHBondContact N-O 3.12Å; D342-S344 VanDerWaalsContact C-N 3.32Å; D342-S344 PolarHBondContact O-N 3.4Å; D342-S344 WeakPolarHBondContact OD1-CB 3.23Å; D342-S344 PolarHBondContact OD1-N 2.91Å; D342-S344 PolarHBondContact OD1-OG 3.2Å
343	W	80.2	Confident	85.6	Confident	73 Å²	73	69.9 Å²	69.9	28%	0.277	35%	0.345	S	S	.	.	S	Bend	trans	-93.9	41.6	171.3	-68	98.4	0	0	0	112.3	R336 A338 F345 I369 Q371 I391	R336-W343 HydrophobicContact CG-CE3 3.87Å; R336-W343 HydrophobicContact CG-CZ3 4.02Å; A338-W343 HydrophobicContact CB-CE3 4.3Å; A338-W343 HydrophobicContact CB-CH2 4.25Å; A338-W343 HydrophobicContact CB-CZ2 4.46Å; A338-W343 HydrophobicContact CB-CZ3 4.16Å; W343-F345 VanDerWaalsContact C-N 3.28Å; W343-F345 PolarHBondContact O-N 2.81Å; W343-I369 HydrophobicContact CH2-CG2 3.74Å; W343-I369 HydrophobicContact CZ2-CG2 4.02Å; W343-Q371 HydrophobicContact CH2-CB 4.21Å; W343-Q371 HydrophobicContact CH2-CG 3.73Å; W343-Q371 HydrophobicContact CZ2-CG 4.18Å; W343-Q371 HydrophobicContact CZ3-CB 4.14Å; W343-Q371 HydrophobicContact CZ3-CG 4.13Å; W343-I391 HydrophobicContact CH2-CG1 4.24Å; W343-I391 HydrophobicContact CH2-CG2 3.97Å; W343-I391 HydrophobicContact CZ2-CB 4.28Å; W343-I391 HydrophobicContact CZ2-CD1 3.66Å; W343-I391 HydrophobicContact CZ2-CG1 3.6Å; W343-I391 HydrophobicContact CZ2-CG2 3.73Å
344	S	74.5	Confident	85	Confident	77 Å²	77	70 Å²	70	54%	0.538	35%	0.346	S	S	.	.			trans	-65.3	-24.1	-176.6	44.2	0	0	0	0	114.8	D342	D342-S344 VanDerWaalsContact C-N 3.32Å; D342-S344 PolarHBondContact O-N 3.4Å; D342-S344 WeakPolarHBondContact OD1-CB 3.23Å; D342-S344 PolarHBondContact OD1-N 2.91Å; D342-S344 PolarHBondContact OD1-OG 3.2Å
345	F	79.8	Confident	84.2	Confident	78 Å²	78	74 Å²	74	34%	0.342	37%	0.368	S	S	.	.	S	Bend	trans	-68.7	137.1	177.7	-71.9	-69.3	0	0	0	111.6	R337 W343 F348	R337-F345 HydrophobicContact CB-CD2 4.49Å; W343-F345 VanDerWaalsContact C-N 3.28Å; W343-F345 PolarHBondContact O-N 2.81Å; F345-F348 HydrophobicContact CB-CE2 4.44Å
346	P	89.3	Confident	83.6	Confident	76 Å²	76	73.2 Å²	73.2	49%	0.494	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-69.9	173.8	178.6	31.6	-35.7	0	0	0	111.5	F348	P346-F348 HydrophobicContact CG-CD2 4.48Å; P346-F348 HydrophobicContact CG-CE1 4.16Å; P346-F348 HydrophobicContact CG-CE2 3.73Å; P346-F348 HydrophobicContact CG-CZ 3.54Å; P346-F348 WeakPolarHBondContact O-CD2 3.31Å; P346-F348 WeakPolarHBondContact O-CE2 3.5Å
347	W	93.2	Very high	83.4	Confident	55 Å²	55	72 Å²	72	21%	0.208	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-74.9	129.1	167.7	-69	95.2	0	0	0	109.9	E334 Y335 R336 Q371 R373 S388	E334-W347 HydrophobicContact CB-CB 4.42Å; E334-W347 HydrophobicContact CB-CE3 4.01Å; Y335-W347 CarbonylContact O-C 3.51Å; Y335-W347 WeakPolarHBondContact O-CA 3.31Å; R336-W347 HydrophobicContact CB-CD2 4.25Å; R336-W347 HydrophobicContact CB-CE3 4.2Å; R336-W347 HydrophobicContact CB-CZ3 4.47Å; R336-W347 HydrophobicContact CG-CD2 4.24Å; R336-W347 HydrophobicContact CG-CE3 4.17Å; R336-W347 HydrophobicContact CG-CH2 3.93Å; R336-W347 HydrophobicContact CG-CZ2 3.97Å; R336-W347 HydrophobicContact CG-CZ3 4.02Å; W347-Q371 HydrophobicContact CH2-CB 4.07Å; W347-Q371 WeakPolarHBondContact CZ3-O 3.48Å; W347-R373 VanDerWaalsContact CD1-CZ 3.42Å; W347-R373 HydrophobicContact CD2-CG 4.09Å; W347-R373 HydrophobicContact CE3-CB 4.49Å; W347-R373 HydrophobicContact CE3-CG 3.67Å; W347-R373 VanDerWaalsContact CG-CZ 3.4Å; W347-R373 HydrophobicContact CH2-CB 3.91Å; W347-R373 HydrophobicContact CH2-CG 3.92Å; W347-R373 HydrophobicContact CZ2-CG 4.32Å; W347-R373 HydrophobicContact CZ3-CB 3.91Å; W347-R373 HydrophobicContact CZ3-CG 3.58Å; W347-S388 WeakPolarHBondContact CH2-OG 3.4Å; W347-S388 WeakPolarHBondContact CZ2-OG 3.17Å
348	F	92.7	Very high	83.4	Confident	66 Å²	66	68.1 Å²	68.1	29%	0.289	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.9	176	-65.4	-84.2	0	0	0	109.8	E334 Y335 F345 P346	E334-F348 CarbonylContact C-O 3.52Å; E334-F348 WeakPolarHBondContact CA-O 3.08Å; E334-F348 WeakPolarHBondContact CB-O 3.34Å; Y335-F348 HydrophobicContact CD1-CB 3.81Å; Y335-F348 WeakPolarHBondContact CD1-O 3.41Å; Y335-F348 HydrophobicContact CE1-CB 3.35Å; Y335-F348 HydrophobicContact CE1-CD2 4.49Å; Y335-F348 HydrophobicContact CE1-CG 4.23Å; Y335-F348 PolarHBondContact N-O 3.02Å; Y335-F348 PolarHBondContact O-N 3.45Å; F345-F348 HydrophobicContact CB-CE2 4.44Å; P346-F348 HydrophobicContact CG-CD2 4.48Å; P346-F348 HydrophobicContact CG-CE1 4.16Å; P346-F348 HydrophobicContact CG-CE2 3.73Å; P346-F348 HydrophobicContact CG-CZ 3.54Å; P346-F348 WeakPolarHBondContact O-CD2 3.31Å; P346-F348 WeakPolarHBondContact O-CE2 3.5Å
349	T	92.1	Very high	83.6	Confident	59 Å²	59	67 Å²	67	36%	0.362	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.2	177.2	-56.3	0	0	0	0	110.2	K332	K332-T349 WeakPolarHBondContact CE-OG1 3.49Å; K332-T349 HydrophobicContact CG-CG2 4.03Å; K332-T349 PolarHBondContact NZ-OG1 2.98Å
350	I	90.7	Very high	84.4	Confident	24 Å²	24	66.3 Å²	66.3	12%	0.123	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-46.5	171.9	-55.5	173.4	0	0	0	109.6	L333 Y335 V361 F372 V416 L418	L333-I350 HydrophobicContact CD2-CB 4.38Å; L333-I350 HydrophobicContact CD2-CD1 3.8Å; L333-I350 HydrophobicContact CG-CD1 3.99Å; L333-I350 PolarHBondContact O-N 2.96Å; Y335-I350 HydrophobicContact CD1-CD1 3.83Å; Y335-I350 HydrophobicContact CD1-CG1 3.43Å; Y335-I350 VanDerWaalsContact CD1-CG1 3.43Å; Y335-I350 HydrophobicContact CE1-CG1 4.12Å; Y335-I350 HydrophobicContact CG-CD1 4.11Å; Y335-I350 HydrophobicContact CG-CG1 4.21Å; I350-V361 HydrophobicContact CD1-CG1 3.95Å; I350-V361 HydrophobicContact CD1-CG2 4.21Å; I350-F372 HydrophobicContact CD1-CD1 4.06Å; I350-F372 HydrophobicContact CD1-CE1 3.92Å; I350-V416 HydrophobicContact CG2-CB 3.89Å; I350-V416 HydrophobicContact CG2-CG2 3.49Å; I350-V416 VanDerWaalsContact CG2-CG2 3.49Å; I350-L418 HydrophobicContact CD1-CD2 4.27Å; I350-L418 HydrophobicContact CG1-CD2 4.25Å
351	S	87.2	Confident	85.4	Confident	27 Å²	27	57.3 Å²	57.3	19%	0.189	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	150	177.2	176.5	0	0	0	0	109.4	K332 L333 R353	K332-S351 CarbonylContact C-O 3.54Å; K332-S351 WeakPolarHBondContact CA-O 3.42Å; L333-S351 PolarHBondContact N-O 2.79Å; S351-R353 PolarHBondContact OG-N 2.67Å
352	D	86.7	Confident	86.4	Confident	83 Å²	83	52.7 Å²	52.7	44%	0.444	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	12.5	172.7	64.2	-6.4	0	0	0	112.9	Y331 K332 L377	Y331-D352 CarbonylContact O-C 3.46Å; K332-D352 HydrophobicContact CB-CB 4.36Å; K332-D352 HydrophobicContact CG-CB 4.05Å; D352-L377 HydrophobicContact CB-CD1 3.89Å; D352-L377 WeakPolarHBondContact O-CD1 3.4Å
353	R	81.5	Confident	87	Confident	193 Å²	193	54.6 Å²	54.6	73%	0.728	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	21.6	-176	-53.3	-164.6	-178.1	-169.3	-1.1	114	S351 D355	S351-R353 PolarHBondContact OG-N 2.67Å; R353-D355 PolarHBondContact O-N 2.8Å
354	L	83.3	Confident	87.6	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123.3	178.9	-53	-178.2	0	0	0	109.3	W317 Y330 Y331 L333 V359 N414 V416	W317-L354 HydrophobicContact CH2-CD1 3.95Å; W317-L354 HydrophobicContact CZ2-CD1 4.49Å; Y330-L354 CarbonylContact C-O 3.6Å; Y330-L354 VanDerWaalsContact CA-O 3.24Å; Y330-L354 WeakPolarHBondContact CA-O 3.27Å; Y331-L354 PolarHBondContact N-O 3.08Å; Y331-L354 WeakPolarHBondContact O-CB 3.35Å; Y331-L354 WeakPolarHBondContact O-CG 3.4Å; Y331-L354 PolarHBondContact O-N 2.75Å; L333-L354 HydrophobicContact CB-CD1 3.54Å; L333-L354 HydrophobicContact CD2-CD1 4.16Å; L333-L354 HydrophobicContact CG-CD1 4.43Å; L354-V359 HydrophobicContact CD1-CB 4.49Å; L354-V359 HydrophobicContact CD1-CG2 4.27Å; L354-V359 HydrophobicContact CD2-CG2 4.38Å; L354-N414 HydrophobicContact CD2-CB 3.72Å; L354-V416 HydrophobicContact CD2-CG1 3.6Å
355	D	78.8	Confident	88.5	Confident	103 Å²	103	52.2 Å²	52.2	55%	0.551	25%	0.249	S	C	*	.			trans	-95	-3.9	-178.2	60.8	5.9	0	0	0	113.8	Y330 R353 N414	Y330-D355 HydrophobicContact CD1-CB 4.26Å; Y330-D355 HydrophobicContact CE1-CB 4.26Å; R353-D355 PolarHBondContact O-N 2.8Å; D355-N414 PolarHBondContact OD1-ND2 2.98Å
356	S	82.7	Confident	89.2	Confident	14 Å²	14	50.6 Å²	50.6	10%	0.098	25%	0.247	C	C	.	.	S	Bend	trans	-129.4	160.3	-173.4	-53.6	0	0	0	0	111.1	W317 A358 L412 N414	W317-S356 WeakPolarHBondContact CZ2-O 3.39Å; S356-A358 VanDerWaalsContact C-N 3.25Å; S356-A358 PolarHBondContact O-N 2.9Å; S356-L412 WeakPolarHBondContact CB-O 3.47Å; S356-L412 WeakPolarHBondContact OG-CB 3.34Å; S356-L412 PolarHBondContact OG-O 2.9Å; S356-N414 VanDerWaalsContact CB-ND2 3.33Å; S356-N414 WeakPolarHBondContact CB-ND2 3.48Å; S356-N414 PolarHBondContact N-ND2 3.47Å
357	T	89.2	Confident	89.3	Confident	32 Å²	32	48.9 Å²	48.9	20%	0.196	24%	0.239	C	C	.	.	S	Bend	trans	-89.7	17.4	-178.6	64.9	0	0	0	0	114.1	V316 W317 Y331	V316-T357 WeakPolarHBondContact CA-O 3.1Å; W317-T357 PolarHBondContact N-O 2.98Å; W317-T357 WeakPolarHBondContact O-CB 3.29Å; W317-T357 PolarHBondContact O-OG1 2.86Å; Y331-T357 HydrophobicContact CE2-CG2 3.83Å; Y331-T357 WeakPolarHBondContact OH-CG2 3.47Å
358	A	90.1	Very high	89.3	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	136.4	-178.6	0	0	0	0	0	110.1	F314 I315 V316 S356 F411 L413 N414	F314-A358 HydrophobicContact CE2-CB 4.07Å; F314-A358 HydrophobicContact CZ-CB 4.45Å; I315-A358 WeakPolarHBondContact O-CA 3.17Å; V316-A358 HydrophobicContact CG2-CB 4.29Å; S356-A358 VanDerWaalsContact C-N 3.25Å; S356-A358 PolarHBondContact O-N 2.9Å; A358-F411 HydrophobicContact CB-CB 3.79Å; A358-F411 HydrophobicContact CB-CD1 3.75Å; A358-F411 HydrophobicContact CB-CG 3.96Å; A358-L413 HydrophobicContact CB-CD1 4.39Å; A358-N414 PolarHBondContact O-N 3.45Å; A358-N414 VanDerWaalsContact O-N 3.11Å
359	V	90	Very high	89.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	141	-175.3	70.2	0	0	0	0	112	F314 I315 W317 L333 L354 V361 N414 V416	F314-V359 WeakPolarHBondContact CA-O 3.46Å; I315-V359 HydrophobicContact CB-CG1 3.95Å; I315-V359 HydrophobicContact CG1-CG1 4.46Å; I315-V359 PolarHBondContact N-O 3.12Å; I315-V359 PolarHBondContact O-N 2.85Å; W317-V359 HydrophobicContact CH2-CB 4.21Å; W317-V359 HydrophobicContact CH2-CG1 3.98Å; W317-V359 HydrophobicContact CZ3-CB 4.26Å; W317-V359 HydrophobicContact CZ3-CG1 3.62Å; L333-V359 HydrophobicContact CD2-CG1 3.86Å; L333-V359 HydrophobicContact CD2-CG2 4.32Å; L354-V359 HydrophobicContact CD1-CB 4.49Å; L354-V359 HydrophobicContact CD1-CG2 4.27Å; L354-V359 HydrophobicContact CD2-CG2 4.38Å; V359-V361 HydrophobicContact CG1-CG2 4.28Å; V359-V361 HydrophobicContact CG2-CG2 4.48Å; V359-N414 CarbonylContact C-O 3.58Å; V359-N414 VanDerWaalsContact CA-O 3.23Å; V359-N414 WeakPolarHBondContact CA-O 3.33Å; V359-N414 HydrophobicContact CB-CB 4.21Å; V359-N414 HydrophobicContact CG2-CB 3.85Å; V359-N414 WeakPolarHBondContact CG2-O 3.34Å; V359-V416 HydrophobicContact CG2-CG1 4.42Å; V359-V416 HydrophobicContact CG2-CG2 3.62Å
360	V	92	Very high	89.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.4	160.5	168.4	0	0	0	0	108.8	E312 V313 F314 K362 L402 L404 L407 L413 N414 I415 V416	E312-V360 HydrophobicContact CB-CG1 4.37Å; V313-V360 CarbonylContact O-C 3.39Å; V313-V360 VanDerWaalsContact O-CA 3.31Å; V313-V360 WeakPolarHBondContact O-CA 3.31Å; F314-V360 HydrophobicContact CB-CG2 4.16Å; F314-V360 HydrophobicContact CD2-CG2 3.94Å; F314-V360 HydrophobicContact CG-CG2 4.47Å; V360-K362 HydrophobicContact CG1-CG 3.84Å; V360-L402 HydrophobicContact CG1-CD1 4.26Å; V360-L402 HydrophobicContact CG2-CD1 4.19Å; V360-L404 HydrophobicContact CB-CD2 4.28Å; V360-L404 HydrophobicContact CG1-CD2 4.11Å; V360-L404 HydrophobicContact CG2-CD2 3.87Å; V360-L407 HydrophobicContact CG2-CD1 3.85Å; V360-L413 HydrophobicContact CB-CD2 4.47Å; V360-L413 HydrophobicContact CG2-CD1 4.05Å; V360-L413 HydrophobicContact CG2-CD2 3.88Å; V360-L413 HydrophobicContact CG2-CG 4.38Å; V360-N414 PolarHBondContact N-O 3.48Å; V360-I415 HydrophobicContact CB-CG1 4.49Å; V360-I415 WeakPolarHBondContact O-CA 3.5Å; V360-V416 PolarHBondContact O-N 3.02Å
361	V	93.4	Very high	89.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.3	170.6	-174.2	0	0	0	0	107.9	E312 V313 I315 L333 I350 V359 L364 F372 V416 L418	E312-V361 CarbonylContact C-O 3.18Å; E312-V361 WeakPolarHBondContact CA-O 3.37Å; V313-V361 HydrophobicContact CG2-CB 3.88Å; V313-V361 HydrophobicContact CG2-CG2 4.34Å; V313-V361 PolarHBondContact N-O 2.85Å; V313-V361 PolarHBondContact O-N 2.85Å; I315-V361 HydrophobicContact CD1-CG2 4.07Å; L333-V361 HydrophobicContact CD2-CG2 3.65Å; I350-V361 HydrophobicContact CD1-CG1 3.95Å; I350-V361 HydrophobicContact CD1-CG2 4.21Å; V359-V361 HydrophobicContact CG1-CG2 4.28Å; V359-V361 HydrophobicContact CG2-CG2 4.48Å; V361-L364 HydrophobicContact CB-CD1 4.26Å; V361-L364 HydrophobicContact CG1-CD1 4.07Å; V361-L364 WeakPolarHBondContact O-CD1 3.39Å; V361-F372 HydrophobicContact CG1-CE1 4.44Å; V361-F372 HydrophobicContact CG2-CE1 4.33Å; V361-V416 CarbonylContact C-O 3.6Å; V361-V416 WeakPolarHBondContact CA-O 2.99Å; V361-V416 HydrophobicContact CB-CG2 4.44Å; V361-V416 HydrophobicContact CG2-CG2 4Å; V361-L418 HydrophobicContact CG1-CD1 4.5Å; V361-L418 HydrophobicContact CG1-CG 4.06Å
362	K	90.3	Very high	90.3	Very high	55 Å²	55	42.3 Å²	42.3	24%	0.239	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	174.5	178.7	-48.3	-175	78	172.7	0	111.5	T311 E312 V360 L364 I415 V416 N417 L418	T311-K362 CarbonylContact O-C 3.4Å; T311-K362 WeakPolarHBondContact O-CA 3.46Å; E312-K362 HydrophobicContact CG-CB 4.2Å; E312-K362 HydrophobicContact CG-CG 4.07Å; E312-K362 WeakPolarHBondContact OE1-CE 3.43Å; E312-K362 IonicContact OE1-NZ 2.64Å; E312-K362 PolarHBondContact OE1-NZ 2.91Å; V360-K362 HydrophobicContact CG1-CG 3.84Å; K362-L364 VanDerWaalsContact C-N 3.29Å; K362-L364 PolarHBondContact O-N 2.76Å; K362-I415 HydrophobicContact CD-CG2 3.63Å; K362-I415 HydrophobicContact CG-CG2 4.1Å; K362-V416 PolarHBondContact N-O 2.96Å; K362-N417 WeakPolarHBondContact CB-OD1 3.46Å; K362-L418 PolarHBondContact O-N 3.07Å
363	R	89.3	Confident	90.8	Very high	130 Å²	130	41 Å²	41	49%	0.491	20%	0.196	S	C	.	.			trans	62.6	31	-176.7	-56.6	-163.4	-67.8	-112.2	9.2	113.7	T311 N417 L418	T311-R363 PolarHBondContact O-N 3.05Å; R363-N417 HydrophobicContact CG-CB 4.2Å; R363-N417 VanDerWaalsContact NH1-CB 3.28Å; R363-N417 PolarHBondContact NH1-ND2 3.1Å; R363-L418 HydrophobicContact CB-CB 4.42Å; R363-L418 PolarHBondContact NE-O 3.1Å; R363-L418 PolarHBondContact NH2-O 2.65Å
364	L	93.8	Very high	91.6	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-71.1	154.2	165.9	-61.3	92.6	0	0	0	110	T311 V313 V361 K362 Y370 F372 T394 L418	T311-L364 WeakPolarHBondContact CA-O 3.32Å; T311-L364 WeakPolarHBondContact CB-O 3.31Å; T311-L364 WeakPolarHBondContact CG2-O 3.47Å; T311-L364 VanDerWaalsContact O-CD1 3.27Å; T311-L364 WeakPolarHBondContact O-CD1 3.43Å; T311-L364 PolarHBondContact O-N 2.89Å; V313-L364 HydrophobicContact CG1-CD1 4.48Å; V313-L364 HydrophobicContact CG1-CD2 3.92Å; V313-L364 HydrophobicContact CG2-CD1 4.07Å; V313-L364 HydrophobicContact CG2-CD2 3.98Å; V361-L364 HydrophobicContact CB-CD1 4.26Å; V361-L364 HydrophobicContact CG1-CD1 4.07Å; V361-L364 WeakPolarHBondContact O-CD1 3.39Å; K362-L364 VanDerWaalsContact C-N 3.29Å; K362-L364 PolarHBondContact O-N 2.76Å; L364-Y370 HydrophobicContact CB-CE2 3.98Å; L364-Y370 HydrophobicContact CD2-CD2 3.66Å; L364-Y370 HydrophobicContact CD2-CE2 3.76Å; L364-Y370 HydrophobicContact CD2-CG 4.08Å; L364-Y370 HydrophobicContact CG-CE2 4.32Å; L364-F372 HydrophobicContact CD2-CZ 4.01Å; L364-T394 HydrophobicContact CB-CG2 3.89Å; L364-T394 HydrophobicContact CD2-CG2 3.73Å; L364-T394 HydrophobicContact CG-CG2 4.39Å; L364-L418 HydrophobicContact CB-CD1 4.19Å; L364-L418 HydrophobicContact CD1-CD1 4.42Å; L364-L418 HydrophobicContact CG-CD1 3.65Å
365	E	92.6	Very high	92.2	Very high	95 Å²	95	32 Å²	32	44%	0.444	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-79	138.4	173.3	-65.7	173.4	158.1	0	0	110.1	D310 R337 G368 Y370 T394	D310-E365 CarbonylContact O-C 3.49Å; R337-E365 IonicContact CZ-OE2 2.73Å; R337-E365 IonicContact NH1-OE1 3.51Å; R337-E365 PolarHBondContact NH1-OE1 3.14Å; R337-E365 IonicContact NH1-OE2 2.97Å; R337-E365 PolarHBondContact NH1-OE2 3.26Å; E365-G368 PolarHBondContact O-N 2.76Å; E365-Y370 WeakPolarHBondContact CB-OH 3.44Å; E365-Y370 PolarHBondContact N-OH 2.78Å; E365-T394 PolarHBondContact O-OG1 3.2Å
366	P	94.3	Very high	92.9	Very high	44 Å²	44	27.1 Å²	27.1	29%	0.286	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	137.4	171.3	-25.1	35	0	0	0	112.1	D310 T311 G368 H395 R397	D310-P366 HydrophobicContact CB-CB 4.26Å; D310-P366 HydrophobicContact CB-CG 4.37Å; D310-P366 VanDerWaalsContact O-CA 3.24Å; D310-P366 WeakPolarHBondContact O-CA 3.35Å; T311-P366 HydrophobicContact CG2-CG 4.22Å; P366-G368 PolarHBondContact O-N 2.97Å; P366-G368 VanDerWaalsContact O-N 3.14Å; P366-H395 WeakPolarHBondContact CA-O 3.48Å; P366-R397 HydrophobicContact CB-CB 4.03Å; P366-R397 HydrophobicContact CG-CB 4.18Å
367	A	92.5	Very high	93.2	Very high	39 Å²	39	28.1 Å²	28.1	32%	0.322	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	10.3	-172.4	0	0	0	0	0	115.6	Q393 T394 H395 R396	A367-Q393 PolarHBondContact O-NE2 2.97Å; A367-Q393 VanDerWaalsContact O-NE2 3.11Å; A367-T394 WeakPolarHBondContact CA-O 3.47Å; A367-T394 PolarHBondContact N-OG1 2.92Å; A367-H395 PolarHBondContact N-O 3.27Å; A367-R396 HydrophobicContact CB-CG 4.38Å
368	G	92.3	Very high	93	Very high	9 Å²	9	27.5 Å²	27.5	9%	0.093	14%	0.137	C	C	.	.			trans	-71.2	145.6	177	0	0	0	0	0	112.2	E365 P366 Y370 Q393 T394	E365-G368 PolarHBondContact O-N 2.76Å; P366-G368 PolarHBondContact O-N 2.97Å; P366-G368 VanDerWaalsContact O-N 3.14Å; G368-Y370 VanDerWaalsContact C-CE2 3.45Å; G368-Y370 WeakPolarHBondContact O-CD2 3.41Å; G368-Q393 WeakPolarHBondContact O-CA 3.47Å; G368-T394 PolarHBondContact N-OG1 3.33Å; G368-T394 PolarHBondContact O-N 3.31Å; G368-T394 PolarHBondContact O-OG1 3.45Å
369	I	94.3	Very high	92.5	Very high	60 Å²	60	32.7 Å²	32.7	31%	0.308	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.8	-176.9	-58.5	171.6	0	0	0	109.2	R337 A338 W343 I391 I392 Q393	R337-I369 CarbonylContact C-O 3.56Å; R337-I369 WeakPolarHBondContact CA-O 3.44Å; R337-I369 WeakPolarHBondContact CG-O 3.46Å; A338-I369 HydrophobicContact CB-CB 3.78Å; A338-I369 HydrophobicContact CB-CG2 3.82Å; A338-I369 PolarHBondContact N-O 3.17Å; W343-I369 HydrophobicContact CH2-CG2 3.74Å; W343-I369 HydrophobicContact CZ2-CG2 4.02Å; I369-I391 HydrophobicContact CG2-CG2 3.57Å; I369-I392 CarbonylContact C-O 3.57Å; I369-I392 WeakPolarHBondContact CA-O 3.34Å; I369-Q393 HydrophobicContact CG1-CB 4.15Å; I369-Q393 HydrophobicContact CG1-CG 3.89Å
370	Y	95.8	Very high	92.1	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.02	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	156.8	-171.2	-59.3	-86.1	0	0	0	112.6	Y335 R336 R337 L364 E365 G368 F372 I392 T394 L418	Y335-Y370 HydrophobicContact CD2-CD1 4.03Å; Y335-Y370 HydrophobicContact CD2-CE1 4.32Å; Y335-Y370 HydrophobicContact CE2-CE1 4.42Å; R336-Y370 WeakPolarHBondContact O-CA 3.46Å; R337-Y370 HydrophobicContact CB-CD1 4.15Å; R337-Y370 HydrophobicContact CB-CE1 4.07Å; R337-Y370 HydrophobicContact CG-CD1 4.16Å; R337-Y370 HydrophobicContact CG-CE1 3.82Å; L364-Y370 HydrophobicContact CB-CE2 3.98Å; L364-Y370 HydrophobicContact CD2-CD2 3.66Å; L364-Y370 HydrophobicContact CD2-CE2 3.76Å; L364-Y370 HydrophobicContact CD2-CG 4.08Å; L364-Y370 HydrophobicContact CG-CE2 4.32Å; E365-Y370 WeakPolarHBondContact CB-OH 3.44Å; E365-Y370 PolarHBondContact N-OH 2.78Å; G368-Y370 VanDerWaalsContact C-CE2 3.45Å; G368-Y370 WeakPolarHBondContact O-CD2 3.41Å; Y370-F372 HydrophobicContact CG-CZ 4.43Å; Y370-I392 PolarHBondContact N-O 2.78Å; Y370-I392 PolarHBondContact O-N 2.84Å; Y370-T394 HydrophobicContact CD2-CG2 4.14Å; Y370-T394 HydrophobicContact CE2-CG2 4.07Å; Y370-L418 HydrophobicContact CE1-CD1 4.45Å
371	Q	96	Very high	91.8	Very high	19 Å²	19	34.6 Å²	34.6	9%	0.089	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.9	162.1	-85.8	-175.1	-18.8	0	0	109.7	Y335 R336 W343 W347 I391	Y335-Q371 CarbonylContact C-O 3.58Å; Y335-Q371 VanDerWaalsContact CA-O 3.27Å; Y335-Q371 WeakPolarHBondContact CA-O 3.49Å; R336-Q371 HydrophobicContact CG-CB 4.01Å; R336-Q371 PolarHBondContact N-O 3.24Å; R336-Q371 PolarHBondContact O-N 2.64Å; W343-Q371 HydrophobicContact CH2-CB 4.21Å; W343-Q371 HydrophobicContact CH2-CG 3.73Å; W343-Q371 HydrophobicContact CZ2-CG 4.18Å; W343-Q371 HydrophobicContact CZ3-CB 4.14Å; W343-Q371 HydrophobicContact CZ3-CG 4.13Å; W347-Q371 HydrophobicContact CH2-CB 4.07Å; W347-Q371 WeakPolarHBondContact CZ3-O 3.48Å; Q371-I391 HydrophobicContact CG-CB 4.38Å; Q371-I391 HydrophobicContact CG-CG1 3.82Å
372	F	97.4	Very high	91.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.6	-178.7	-58.8	-88.2	0	0	0	110.2	I305 V313 I315 L333 E334 I350 V361 L364 Y370 S388 S389 I392	I305-F372 HydrophobicContact CD1-CD2 3.83Å; I305-F372 HydrophobicContact CD1-CE2 4.2Å; V313-F372 HydrophobicContact CG2-CE2 4.08Å; V313-F372 HydrophobicContact CG2-CZ 3.85Å; I315-F372 HydrophobicContact CD1-CB 4.01Å; I315-F372 HydrophobicContact CD1-CD1 3.72Å; I315-F372 HydrophobicContact CD1-CD2 3.67Å; I315-F372 HydrophobicContact CD1-CE1 4.1Å; I315-F372 HydrophobicContact CD1-CE2 4.06Å; I315-F372 HydrophobicContact CD1-CG 3.49Å; I315-F372 VanDerWaalsContact CD1-CG 3.49Å; I315-F372 HydrophobicContact CD1-CZ 4.27Å; L333-F372 HydrophobicContact CD1-CB 4.44Å; E334-F372 VanDerWaalsContact O-CA 3.32Å; E334-F372 WeakPolarHBondContact O-CA 3.35Å; I350-F372 HydrophobicContact CD1-CD1 4.06Å; I350-F372 HydrophobicContact CD1-CE1 3.92Å; V361-F372 HydrophobicContact CG1-CE1 4.44Å; V361-F372 HydrophobicContact CG2-CE1 4.33Å; L364-F372 HydrophobicContact CD2-CZ 4.01Å; Y370-F372 HydrophobicContact CG-CZ 4.43Å; F372-S388 CarbonylContact O-C 3.57Å; F372-S388 WeakPolarHBondContact O-CA 3.22Å; F372-S389 PolarHBondContact N-OG 3.32Å; F372-S389 PolarHBondContact O-N 3.07Å; F372-S389 PolarHBondContact O-OG 3.32Å; F372-I392 HydrophobicContact CE2-CG2 3.84Å
373	R	97.5	Very high	91.7	Very high	57 Å²	57	35 Å²	35	22%	0.215	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157.8	166.5	72.1	-175.7	-175.1	179	-0.8	108.8	E334 W347 P385	E334-R373 HydrophobicContact CB-CG 4.11Å; E334-R373 PolarHBondContact N-O 2.93Å; E334-R373 PolarHBondContact O-N 2.77Å; E334-R373 IonicContact OE2-CZ 2.63Å; E334-R373 IonicContact OE2-NE 3.55Å; E334-R373 PolarHBondContact OE2-NE 3.42Å; E334-R373 IonicContact OE2-NH2 3.85Å; E334-R373 PolarHBondContact OE2-NH2 3.07Å; W347-R373 VanDerWaalsContact CD1-CZ 3.42Å; W347-R373 HydrophobicContact CD2-CG 4.09Å; W347-R373 HydrophobicContact CE3-CB 4.49Å; W347-R373 HydrophobicContact CE3-CG 3.67Å; W347-R373 VanDerWaalsContact CG-CZ 3.4Å; W347-R373 HydrophobicContact CH2-CB 3.91Å; W347-R373 HydrophobicContact CH2-CG 3.92Å; W347-R373 HydrophobicContact CZ2-CG 4.32Å; W347-R373 HydrophobicContact CZ3-CB 3.91Å; W347-R373 HydrophobicContact CZ3-CG 3.58Å; R373-P385 HydrophobicContact CG-CB 4.21Å
374	V	97.1	Very high	92	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.8	-176.6	63.8	0	0	0	0	110.3	P300 P303 W317 Y331 K332 L333 S386	P300-V374 HydrophobicContact CB-CG1 4.23Å; P300-V374 HydrophobicContact CG-CB 4.46Å; P300-V374 HydrophobicContact CG-CG1 3.66Å; P300-V374 HydrophobicContact CG-CG2 4.48Å; P300-V374 WeakPolarHBondContact CG-O 3.31Å; P303-V374 HydrophobicContact CB-CG1 4.49Å; P303-V374 HydrophobicContact CG-CB 4.49Å; P303-V374 HydrophobicContact CG-CG1 3.91Å; W317-V374 HydrophobicContact CB-CG1 4.38Å; W317-V374 HydrophobicContact CD2-CG1 4.01Å; W317-V374 HydrophobicContact CD2-CG2 4.33Å; W317-V374 HydrophobicContact CG-CG1 3.94Å; W317-V374 HydrophobicContact CH2-CG2 4.49Å; W317-V374 HydrophobicContact CZ2-CG2 3.97Å; Y331-V374 HydrophobicContact CD1-CG2 3.89Å; Y331-V374 HydrophobicContact CG-CG2 4.14Å; K332-V374 CarbonylContact O-C 3.51Å; K332-V374 VanDerWaalsContact O-CA 3.26Å; K332-V374 WeakPolarHBondContact O-CA 3.43Å; L333-V374 HydrophobicContact CD1-CB 4.47Å; V374-S386 PolarHBondContact N-OG 3.44Å; V374-S386 VanDerWaalsContact O-CB 3.27Å; V374-S386 WeakPolarHBondContact O-CB 3.42Å; V374-S386 PolarHBondContact O-N 3.34Å; V374-S386 PolarHBondContact O-OG 3.42Å; V374-S386 VanDerWaalsContact O-OG 3.09Å
375	A	96.3	Very high	92.1	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.033	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.7	171.9	0	0	0	0	0	109.4	Y331 K332	Y331-A375 CarbonylContact C-O 3.58Å; Y331-A375 WeakPolarHBondContact CA-O 3.45Å; K332-A375 HydrophobicContact CB-CB 4.36Å; K332-A375 PolarHBondContact N-O 3.23Å; K332-A375 PolarHBondContact O-N 2.99Å
376	T	93.3	Very high	92.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	135.1	174.4	-60.8	0	0	0	0	109.5	P297 P320 L329 Y330 Y331 T378 S382 S383	P297-T376 HydrophobicContact CB-CG2 3.89Å; P297-T376 HydrophobicContact CG-CG2 3.98Å; P320-T376 HydrophobicContact CG-CG2 4.01Å; L329-T376 HydrophobicContact CB-CG2 4.12Å; L329-T376 HydrophobicContact CD1-CG2 4.27Å; Y330-T376 CarbonylContact O-C 3.57Å; Y331-T376 HydrophobicContact CE1-CG2 4.4Å; Y331-T376 VanDerWaalsContact CE1-OG1 3.3Å; Y331-T376 WeakPolarHBondContact CE1-OG1 3.09Å; T376-T378 HydrophobicContact CG2-CG2 4.33Å; T376-S382 CarbonylContact O-C 3.58Å; T376-S382 WeakPolarHBondContact O-CA 3.21Å; T376-S383 PolarHBondContact N-OG 3.43Å; T376-S383 PolarHBondContact O-N 3.28Å
377	L	89.9	Confident	92.5	Very high	36 Å²	36	34.1 Å²	34.1	19%	0.188	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.7	174.6	-53	-179.1	0	0	0	109.3	L329 Y330 K332 D352 S382	L329-L377 WeakPolarHBondContact CA-O 3.46Å; Y330-L377 PolarHBondContact N-O 3.4Å; Y330-L377 PolarHBondContact O-N 3.32Å; K332-L377 HydrophobicContact CB-CD1 4.11Å; K332-L377 HydrophobicContact CB-CD2 4.2Å; K332-L377 HydrophobicContact CB-CG 4.17Å; D352-L377 HydrophobicContact CB-CD1 3.89Å; D352-L377 WeakPolarHBondContact O-CD1 3.4Å; L377-S382 VanDerWaalsContact CD2-CB 3.49Å; L377-S382 WeakPolarHBondContact CD2-OG 3.11Å
378	T	84.8	Confident	92.6	Very high	19 Å²	19	33.9 Å²	33.9	12%	0.117	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	175.7	174.8	61.3	0	0	0	0	109.4	P297 L329 T376 C380 G381	P297-T378 HydrophobicContact CB-CG2 3.91Å; P297-T378 WeakPolarHBondContact CD-OG1 3.33Å; P297-T378 HydrophobicContact CG-CG2 3.73Å; L329-T378 HydrophobicContact CB-CG2 4.26Å; T376-T378 HydrophobicContact CG2-CG2 4.33Å; T378-C380 PolarHBondContact O-N 3.32Å; T378-C380 VanDerWaalsContact O-N 3.17Å; T378-C380 PolarHBondContact OG1-N 3.36Å; T378-G381 PolarHBondContact N-O 3.5Å; T378-G381 PolarHBondContact O-N 2.94Å; T378-G381 PolarHBondContact OG1-O 2.89Å; T378-G381 VanDerWaalsContact OG1-O 3.13Å
379	L	80.2	Confident	92.8	Very high	109 Å²	109	33.4 Å²	33.4	57%	0.571	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.8	171.6	-174.9	66.1	0	0	0	112.7	P214 G381	P214-L379 HydrophobicContact CG-CG 4.34Å; L379-G381 VanDerWaalsContact C-N 3.34Å
380	C	81.7	Confident	92.9	Very high	12 Å²	12	39.2 Å²	39.2	8%	0.081	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.9	179.6	-56.8	0	0	0	0	113.5	G294 D295 L296 T378	G294-C380 VanDerWaalsContact CA-SG 3.59Å; D295-C380 WeakPolarHBondContact O-CB 3.34Å; D295-C380 PolarHBondContact O-SG 2.93Å; D295-C380 VanDerWaalsContact O-SG 3.34Å; L296-C380 WeakPolarHBondContact CD2-O 3.45Å; T378-C380 PolarHBondContact O-N 3.32Å; T378-C380 VanDerWaalsContact O-N 3.17Å; T378-C380 PolarHBondContact OG1-N 3.36Å
381	G	85	Confident	92.8	Very high	29 Å²	29	43.6 Å²	43.6	30%	0.299	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	131.5	-166.6	-177.1	0	0	0	0	0	113.8	T378 L379	T378-G381 PolarHBondContact N-O 3.5Å; T378-G381 PolarHBondContact O-N 2.94Å; T378-G381 PolarHBondContact OG1-O 2.89Å; T378-G381 VanDerWaalsContact OG1-O 3.13Å; L379-G381 VanDerWaalsContact C-N 3.34Å
382	S	90.2	Very high	92.7	Very high	55 Å²	55	44.4 Å²	44.4	39%	0.385	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	138.4	-179.3	-178.1	0	0	0	0	111.7	T376 L377	T376-S382 CarbonylContact O-C 3.58Å; T376-S382 WeakPolarHBondContact O-CA 3.21Å; L377-S382 VanDerWaalsContact CD2-CB 3.49Å; L377-S382 WeakPolarHBondContact CD2-OG 3.11Å
383	S	92	Very high	92.7	Very high	7 Å²	7	49.9 Å²	49.9	5%	0.049	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-61.6	165.2	164.1	78.2	0	0	0	0	110.3	P297 D298 T376	P297-S383 VanDerWaalsContact O-CB 3.25Å; P297-S383 WeakPolarHBondContact O-CB 3.35Å; D298-S383 VanDerWaalsContact O-CB 3.31Å; D298-S383 WeakPolarHBondContact O-CB 3.42Å; T376-S383 PolarHBondContact N-OG 3.43Å; T376-S383 PolarHBondContact O-N 3.28Å
384	V	94.8	Very high	92.6	Very high	97 Å²	97	47.4 Å²	47.4	59%	0.588	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-61.4	143.8	156.8	-61.6	0	0	0	0	109.3	R299	R299-V384 HydrophobicContact CB-CG2 3.9Å; R299-V384 VanDerWaalsContact CB-O 3.3Å; R299-V384 WeakPolarHBondContact CB-O 3.32Å
385	P	96.5	Very high	92.5	Very high	49 Å²	49	52 Å²	52	32%	0.318	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-59.2	150.5	177.1	-24.2	33.7	0	0	0	112.3	R373	R373-P385 HydrophobicContact CG-CB 4.21Å
386	S	97.4	Very high	92.5	Very high	7 Å²	7	61.9 Å²	61.9	5%	0.049	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-60.9	168	171.2	66	0	0	0	0	111.7	S301 P303 V374 S388	S301-S386 WeakPolarHBondContact O-CB 3.44Å; P303-S386 VanDerWaalsContact CD-OG 3.27Å; P303-S386 WeakPolarHBondContact CD-OG 3.18Å; V374-S386 PolarHBondContact N-OG 3.44Å; V374-S386 VanDerWaalsContact O-CB 3.27Å; V374-S386 WeakPolarHBondContact O-CB 3.42Å; V374-S386 PolarHBondContact O-N 3.34Å; V374-S386 PolarHBondContact O-OG 3.42Å; V374-S386 VanDerWaalsContact O-OG 3.09Å; S386-S388 PolarHBondContact O-N 3.27Å
387	L	96.7	Very high	92.5	Very high	103 Å²	103	72.2 Å²	72.2	54%	0.539	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-58	139.7	163	-61.7	178.5	0	0	0	109	R302 P303	R302-L387 HydrophobicContact CB-CB 4.34Å; R302-L387 HydrophobicContact CG-CB 4.22Å; P303-L387 VanDerWaalsContact CD-O 3.32Å; P303-L387 WeakPolarHBondContact CD-O 2.99Å
388	S	95.8	Very high	92.6	Very high	34 Å²	34	73.8 Å²	73.8	24%	0.238	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-59.6	143.8	176.7	-52.9	0	0	0	0	110.9	R302 W347 F372 S386	R302-S388 VanDerWaalsContact CZ-O 3.28Å; R302-S388 PolarHBondContact NE-O 3.44Å; R302-S388 PolarHBondContact NH2-O 2.83Å; R302-S388 VanDerWaalsContact NH2-O 3.09Å; W347-S388 WeakPolarHBondContact CH2-OG 3.4Å; W347-S388 WeakPolarHBondContact CZ2-OG 3.17Å; F372-S388 CarbonylContact O-C 3.57Å; F372-S388 WeakPolarHBondContact O-CA 3.22Å; S386-S388 PolarHBondContact O-N 3.27Å
389	S	96.8	Very high	93	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-51.2	168.7	170.8	72	0	0	0	0	111.4	R302 P303 F372	R302-S389 PolarHBondContact NH2-O 3.14Å; P303-S389 WeakPolarHBondContact O-CA 3.39Å; P303-S389 VanDerWaalsContact O-CB 3.27Å; P303-S389 WeakPolarHBondContact O-CB 3.28Å; F372-S389 PolarHBondContact N-OG 3.32Å; F372-S389 PolarHBondContact O-N 3.07Å; F372-S389 PolarHBondContact O-OG 3.32Å
390	R	94.9	Very high	93.5	Very high	181 Å²	181	74.1 Å²	74.1	68%	0.683	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-60.5	153	161.8	-65.4	-179	-177.7	-177.5	1.7	109.1	I392	R390-I392 PolarHBondContact O-N 3.04Å
391	I	93.8	Very high	93.9	Very high	97 Å²	97	78.7 Å²	78.7	50%	0.497	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-64.3	131.3	172.6	-61.4	169.2	0	0	0	107.2	W343 I369 Q371	W343-I391 HydrophobicContact CH2-CG1 4.24Å; W343-I391 HydrophobicContact CH2-CG2 3.97Å; W343-I391 HydrophobicContact CZ2-CB 4.28Å; W343-I391 HydrophobicContact CZ2-CD1 3.66Å; W343-I391 HydrophobicContact CZ2-CG1 3.6Å; W343-I391 HydrophobicContact CZ2-CG2 3.73Å; I369-I391 HydrophobicContact CG2-CG2 3.57Å; Q371-I391 HydrophobicContact CG-CB 4.38Å; Q371-I391 HydrophobicContact CG-CG1 3.82Å
392	I	95.4	Very high	94.1	Very high	36 Å²	36	78.3 Å²	78.3	19%	0.185	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.6	172.1	-173.1	62	0	0	0	109.5	I305 A308 I369 Y370 F372 R390	I305-I392 HydrophobicContact CD1-CB 3.7Å; I305-I392 HydrophobicContact CD1-CG1 4.49Å; I305-I392 HydrophobicContact CD1-CG2 3.6Å; I305-I392 HydrophobicContact CG2-CD1 4.49Å; I305-I392 HydrophobicContact CG2-CG1 4.31Å; A308-I392 HydrophobicContact CB-CD1 4.33Å; A308-I392 HydrophobicContact CB-CG1 4.43Å; I369-I392 CarbonylContact C-O 3.57Å; I369-I392 WeakPolarHBondContact CA-O 3.34Å; Y370-I392 PolarHBondContact N-O 2.78Å; Y370-I392 PolarHBondContact O-N 2.84Å; F372-I392 HydrophobicContact CE2-CG2 3.84Å; R390-I392 PolarHBondContact O-N 3.04Å
393	Q	95.9	Very high	94	Very high	115 Å²	115	80.2 Å²	80.2	54%	0.537	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.3	161.5	-173.4	172.7	20	0	0	107.5	A367 G368 I369	A367-Q393 PolarHBondContact O-NE2 2.97Å; A367-Q393 VanDerWaalsContact O-NE2 3.11Å; G368-Q393 WeakPolarHBondContact O-CA 3.47Å; I369-Q393 HydrophobicContact CG1-CB 4.15Å; I369-Q393 HydrophobicContact CG1-CG 3.89Å
394	T	95.5	Very high	93.3	Very high	5 Å²	5	81.6 Å²	81.6	3%	0.031	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-64.9	158.7	175.3	55.2	0	0	0	0	110.4	V313 L364 E365 A367 G368 Y370	V313-T394 HydrophobicContact CG1-CG2 4.34Å; L364-T394 HydrophobicContact CB-CG2 3.89Å; L364-T394 HydrophobicContact CD2-CG2 3.73Å; L364-T394 HydrophobicContact CG-CG2 4.39Å; E365-T394 PolarHBondContact O-OG1 3.2Å; A367-T394 WeakPolarHBondContact CA-O 3.47Å; A367-T394 PolarHBondContact N-OG1 2.92Å; G368-T394 PolarHBondContact N-OG1 3.33Å; G368-T394 PolarHBondContact O-N 3.31Å; G368-T394 PolarHBondContact O-OG1 3.45Å; Y370-T394 HydrophobicContact CD2-CG2 4.14Å; Y370-T394 HydrophobicContact CE2-CG2 4.07Å
395	H	96.7	Very high	92.2	Very high	96 Å²	96	80.9 Å²	80.9	44%	0.444	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-66.4	160.4	177.4	-65.2	91.9	0	0	0	111.6	A308 S309 D310 P366 A367 A399	A308-H395 PolarHBondContact O-CE1 3.37Å; A308-H395 PolarHBondContact O-ND1 3.45Å; S309-H395 PolarHBondContact O-N 3.32Å; S309-H395 PolarHBondContact O-ND1 2.92Å; D310-H395 WeakPolarHBondContact CA-O 3.1Å; D310-H395 HydrophobicContact CB-CB 4.4Å; D310-H395 WeakPolarHBondContact CB-O 3.38Å; P366-H395 WeakPolarHBondContact CA-O 3.48Å; A367-H395 PolarHBondContact N-O 3.27Å; H395-A399 HydrophobicContact CB-CB 3.4Å; H395-A399 VanDerWaalsContact CB-CB 3.4Å
396	R	94.5	Very high	91.2	Very high	213 Å²	213	81.8 Å²	81.8	80%	0.804	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-66	155.2	169.8	-64.8	-174.4	-179.1	-151.9	0.3	110	D310 A367 G398 A399	D310-R396 WeakPolarHBondContact CB-O 3.31Å; A367-R396 HydrophobicContact CB-CG 4.38Å; R396-G398 PolarHBondContact O-N 3.5Å; R396-A399 PolarHBondContact O-N 3.2Å
397	R	95.1	Very high	90.2	Very high	217 Å²	217	81.8 Å²	81.8	82%	0.819	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	132.4	-177.4	-177.5	176.8	-84.7	-149.6	-3.2	111	D310 P366	D310-R397 WeakPolarHBondContact OD2-CA 3.46Å; P366-R397 HydrophobicContact CB-CB 4.03Å; P366-R397 HydrophobicContact CG-CB 4.18Å
398	G	91.4	Very high	89	Confident	68 Å²	68	78.8 Å²	78.8	70%	0.701	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.5	0.5	179.5	0	0	0	0	0	114.8	D310 R396	D310-G398 PolarHBondContact OD2-N 3.32Å; R396-G398 PolarHBondContact O-N 3.5Å
399	A	91.7	Very high	87.3	Confident	20 Å²	20	82.4 Å²	82.4	17%	0.165	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-63.9	146.5	171.4	0	0	0	0	0	111.5	D310 H395 R396	D310-A399 HydrophobicContact CB-CB 4.05Å; H395-A399 HydrophobicContact CB-CB 3.4Å; H395-A399 VanDerWaalsContact CB-CB 3.4Å; R396-A399 PolarHBondContact O-N 3.2Å
400	P	92.3	Very high	85.9	Confident	115 Å²	115	88.8 Å²	88.8	75%	0.747	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-56.4	140.4	177	-23.9	33.5	0	0	0	112	S309	S309-P400 WeakPolarHBondContact CB-O 3.37Å
401	K	90.4	Very high	84.7	Confident	109 Å²	109	82.1 Å²	82.1	47%	0.474	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-69.2	158.2	173	-60.3	-56	-177.6	-166.8	0	111	D310 T311	D310-K401 IonicContact OD1-NZ 2.67Å; D310-K401 PolarHBondContact OD1-NZ 3.45Å; D310-K401 IonicContact OD2-NZ 3.89Å; T311-K401 PolarHBondContact OG1-NZ 3.23Å
402	L	89.3	Confident	83.5	Confident	21 Å²	21	79.7 Å²	79.7	11%	0.11	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-67.8	137.4	177.8	-59.5	-178.8	0	0	0	109.7	L307 E312 F314 V360 L404	L307-L402 HydrophobicContact CB-CD2 3.67Å; L307-L402 HydrophobicContact CD1-CD2 4.49Å; E312-L402 HydrophobicContact CB-CD1 3.89Å; E312-L402 HydrophobicContact CB-CG 4.12Å; E312-L402 PolarHBondContact OE2-N 3.28Å; E312-L402 VanDerWaalsContact OE2-N 3.14Å; F314-L402 HydrophobicContact CB-CD1 3.97Å; V360-L402 HydrophobicContact CG1-CD1 4.26Å; V360-L402 HydrophobicContact CG2-CD1 4.19Å; L402-L404 HydrophobicContact CB-CD2 4.48Å; L402-L404 PolarHBondContact O-N 3.31Å
403	N	86.6	Confident	82.4	Confident	95 Å²	95	78.6 Å²	78.6	51%	0.508	39%	0.388	S	S	.	.			trans	-78.8	89	175.1	-169.8	-26.5	0	0	0	109.5	D405 V406 L407	N403-D405 PolarHBondContact O-N 2.88Å; N403-D405 PolarHBondContact OD1-N 3.35Å; N403-V406 HydrophobicContact CB-CB 4.33Å; N403-V406 HydrophobicContact CB-CG2 4.16Å; N403-V406 PolarHBondContact O-N 3.48Å; N403-V406 VanDerWaalsContact O-N 3.12Å; N403-V406 PolarHBondContact OD1-N 3.22Å; N403-L407 PolarHBondContact O-N 2.99Å
404	L	78	Confident	81.5	Confident	35 Å²	35	74.5 Å²	74.5	18%	0.183	37%	0.37	C	S	.	.	H	α-helix	trans	-60.5	-32.5	-177.8	-59.2	179.1	0	0	0	112.3	V360 L402 V406 L407 R408 L413 I415	V360-L404 HydrophobicContact CB-CD2 4.28Å; V360-L404 HydrophobicContact CG1-CD2 4.11Å; V360-L404 HydrophobicContact CG2-CD2 3.87Å; L402-L404 HydrophobicContact CB-CD2 4.48Å; L402-L404 PolarHBondContact O-N 3.31Å; L404-V406 VanDerWaalsContact C-N 3.26Å; L404-V406 PolarHBondContact O-N 3.46Å; L404-L407 PolarHBondContact O-N 3.14Å; L404-R408 WeakPolarHBondContact O-CB 3.49Å; L404-R408 VanDerWaalsContact O-CG 3.32Å; L404-R408 WeakPolarHBondContact O-CG 3.17Å; L404-R408 PolarHBondContact O-N 3.33Å; L404-L413 HydrophobicContact CD2-CD2 4.32Å; L404-I415 HydrophobicContact CD1-CD1 3.99Å; L404-I415 HydrophobicContact CD2-CD1 4.46Å
405	D	71.8	Confident	80.9	Confident	82 Å²	82	77 Å²	77	44%	0.439	38%	0.383	S	S	.	.	H	α-helix	trans	-68.5	-25.8	179.1	-61.3	-27.3	0	0	0	112.3	N403 K409	N403-D405 PolarHBondContact O-N 2.88Å; N403-D405 PolarHBondContact OD1-N 3.35Å; D405-K409 WeakPolarHBondContact O-CD 3.26Å; D405-K409 WeakPolarHBondContact O-CE 3.37Å; D405-K409 WeakPolarHBondContact O-CG 3.38Å
406	V	75.6	Confident	80.3	Confident	68 Å²	68	73.3 Å²	73.3	41%	0.412	37%	0.367	S	S	.	.	H	α-helix	trans	-76.7	-46.5	172.2	173.2	0	0	0	0	109.9	N403 L404 R408 K409	N403-V406 HydrophobicContact CB-CB 4.33Å; N403-V406 HydrophobicContact CB-CG2 4.16Å; N403-V406 PolarHBondContact O-N 3.48Å; N403-V406 VanDerWaalsContact O-N 3.12Å; N403-V406 PolarHBondContact OD1-N 3.22Å; L404-V406 VanDerWaalsContact C-N 3.26Å; L404-V406 PolarHBondContact O-N 3.46Å; V406-R408 PolarHBondContact O-N 3.15Å; V406-K409 WeakPolarHBondContact O-CB 3.36Å; V406-K409 PolarHBondContact O-N 2.9Å
407	L	76.3	Confident	79.8	Confident	8 Å²	8	66.1 Å²	66.1	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-40.8	-177.8	-64.9	178.3	0	0	0	112.9	L307 F314 V360 N403 L404 K409 E410 F411 L413	L307-L407 HydrophobicContact CD1-CD2 3.94Å; F314-L407 HydrophobicContact CB-CD1 4.11Å; F314-L407 HydrophobicContact CD1-CD1 4.23Å; F314-L407 HydrophobicContact CD1-CD2 3.72Å; F314-L407 HydrophobicContact CD2-CD1 3.91Å; F314-L407 HydrophobicContact CD2-CD2 4.45Å; F314-L407 HydrophobicContact CE1-CD2 3.62Å; F314-L407 HydrophobicContact CE2-CD1 4.41Å; F314-L407 HydrophobicContact CE2-CD2 4.36Å; F314-L407 HydrophobicContact CG-CD1 3.82Å; F314-L407 HydrophobicContact CG-CD2 4.15Å; F314-L407 HydrophobicContact CZ-CD2 3.96Å; V360-L407 HydrophobicContact CG2-CD1 3.85Å; N403-L407 PolarHBondContact O-N 2.99Å; L404-L407 PolarHBondContact O-N 3.14Å; L407-K409 PolarHBondContact O-N 3.15Å; L407-E410 PolarHBondContact O-N 2.84Å; L407-E410 VanDerWaalsContact O-N 3.14Å; L407-F411 PolarHBondContact O-N 3.1Å; L407-L413 HydrophobicContact CB-CD2 4.03Å
408	R	70.4	Confident	79.3	Confident	39 Å²	39	56.2 Å²	56.2	15%	0.147	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-18.9	178.5	-75.7	176	170.3	176.8	-5.9	114.1	L404 V406 L413 E471	L404-R408 WeakPolarHBondContact O-CB 3.49Å; L404-R408 VanDerWaalsContact O-CG 3.32Å; L404-R408 WeakPolarHBondContact O-CG 3.17Å; L404-R408 PolarHBondContact O-N 3.33Å; V406-R408 PolarHBondContact O-N 3.15Å; R408-L413 HydrophobicContact CG-CB 4.24Å; R408-L413 HydrophobicContact CG-CD2 4.13Å; R408-E471 VanDerWaalsContact CD-OE1 3.27Å; R408-E471 WeakPolarHBondContact CD-OE1 3.34Å; R408-E471 IonicContact NH1-OE1 3.93Å
409	K	61.8	Low	78.4	Confident	111 Å²	111	55.5 Å²	55.5	48%	0.483	29%	0.291	S	S	.	.	H	α-helix	trans	-75	-32.1	175.8	-62.7	176	176.4	-178	0	112.1	D405 V406 L407 S472	D405-K409 WeakPolarHBondContact O-CD 3.26Å; D405-K409 WeakPolarHBondContact O-CE 3.37Å; D405-K409 WeakPolarHBondContact O-CG 3.38Å; V406-K409 WeakPolarHBondContact O-CB 3.36Å; V406-K409 PolarHBondContact O-N 2.9Å; L407-K409 PolarHBondContact O-N 3.15Å; K409-S472 WeakPolarHBondContact CG-OG 3.21Å
410	E	67.3	Low	77.2	Confident	134 Å²	134	58 Å²	58	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-99.9	-30	-174.7	-66.1	-177.9	176.2	0	0	112.3	L407	L407-E410 PolarHBondContact O-N 2.84Å; L407-E410 VanDerWaalsContact O-N 3.14Å
411	F	69.3	Low	75.5	Confident	41 Å²	41	58.4 Å²	58.4	18%	0.18	31%	0.309	C	S	.	.	S	Bend	trans	-127.2	144	-173.1	-57.5	-87.1	0	0	0	112.2	F314 V316 A358 L407 L413	F314-F411 HydrophobicContact CE1-CD2 4.35Å; F314-F411 AromaticContact CE1-CE2 4Å; F314-F411 HydrophobicContact CE1-CE2 4Å; F314-F411 HydrophobicContact CE1-CZ 4.38Å; F314-F411 HydrophobicContact CE2-CD2 4.39Å; F314-F411 HydrophobicContact CZ-CD1 4.35Å; F314-F411 AromaticContact CZ-CD2 3.58Å; F314-F411 HydrophobicContact CZ-CD2 3.58Å; F314-F411 HydrophobicContact CZ-CE1 4.36Å; F314-F411 AromaticContact CZ-CE2 3.62Å; F314-F411 HydrophobicContact CZ-CE2 3.62Å; F314-F411 AromaticContact CZ-CG 3.98Å; F314-F411 HydrophobicContact CZ-CG 3.98Å; F314-F411 HydrophobicContact CZ-CZ 4.02Å; V316-F411 HydrophobicContact CG1-CE1 4.06Å; V316-F411 HydrophobicContact CG2-CE1 4.08Å; V316-F411 HydrophobicContact CG2-CZ 4.32Å; A358-F411 HydrophobicContact CB-CB 3.79Å; A358-F411 HydrophobicContact CB-CD1 3.75Å; A358-F411 HydrophobicContact CB-CG 3.96Å; L407-F411 PolarHBondContact O-N 3.1Å; F411-L413 PolarHBondContact O-N 2.76Å
412	L	67.4	Low	73.4	Confident	45 Å²	45	56.1 Å²	56.1	24%	0.236	32%	0.317	C	S	.	.			trans	-70.6	108.4	155.3	-73	169.2	0	0	0	106.8	S356 H495 K545 H547	S356-L412 WeakPolarHBondContact CB-O 3.47Å; S356-L412 WeakPolarHBondContact OG-CB 3.34Å; S356-L412 PolarHBondContact OG-O 2.9Å; L412-H495 HydrophobicContact CD2-CB 4.46Å; L412-K545 HydrophobicContact CD2-CD 3.84Å; L412-H547 WeakPolarHBondContact CD1-CE1 3.16Å; L412-H547 WeakPolarHBondContact CD1-NE2 3.31Å
413	L	72.5	Confident	71.1	Confident	13 Å²	13	60.4 Å²	60.4	7%	0.068	34%	0.34	C	S	.	.			trans	-107.9	114	-164.1	-172.9	70.6	0	0	0	111.2	F314 A358 V360 L404 L407 R408 F411 I415	F314-L413 HydrophobicContact CD2-CD1 3.88Å; F314-L413 HydrophobicContact CE2-CD1 3.57Å; A358-L413 HydrophobicContact CB-CD1 4.39Å; V360-L413 HydrophobicContact CB-CD2 4.47Å; V360-L413 HydrophobicContact CG2-CD1 4.05Å; V360-L413 HydrophobicContact CG2-CD2 3.88Å; V360-L413 HydrophobicContact CG2-CG 4.38Å; L404-L413 HydrophobicContact CD2-CD2 4.32Å; L407-L413 HydrophobicContact CB-CD2 4.03Å; R408-L413 HydrophobicContact CG-CB 4.24Å; R408-L413 HydrophobicContact CG-CD2 4.13Å; F411-L413 PolarHBondContact O-N 2.76Å; L413-I415 HydrophobicContact CD2-CD1 4.42Å; L413-I415 HydrophobicContact CD2-CG1 4.16Å; L413-I415 HydrophobicContact CG-CG1 4.3Å
414	N	78.1	Confident	68.8	Low	29 Å²	29	62.4 Å²	62.4	16%	0.155	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.9	164.6	-80.5	-86.3	0	0	0	109.8	L354 D355 S356 A358 V359 V360	L354-N414 HydrophobicContact CD2-CB 3.72Å; D355-N414 PolarHBondContact OD1-ND2 2.98Å; S356-N414 VanDerWaalsContact CB-ND2 3.33Å; S356-N414 WeakPolarHBondContact CB-ND2 3.48Å; S356-N414 PolarHBondContact N-ND2 3.47Å; A358-N414 PolarHBondContact O-N 3.45Å; A358-N414 VanDerWaalsContact O-N 3.11Å; V359-N414 CarbonylContact C-O 3.58Å; V359-N414 VanDerWaalsContact CA-O 3.23Å; V359-N414 WeakPolarHBondContact CA-O 3.33Å; V359-N414 HydrophobicContact CB-CB 4.21Å; V359-N414 HydrophobicContact CG2-CB 3.85Å; V359-N414 WeakPolarHBondContact CG2-O 3.34Å; V360-N414 PolarHBondContact N-O 3.48Å
415	I	81.7	Confident	66.5	Low	57 Å²	57	63 Å²	63	29%	0.292	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113.2	172	-57.7	177.8	0	0	0	107.9	V360 K362 L404 L413	V360-I415 HydrophobicContact CB-CG1 4.49Å; V360-I415 WeakPolarHBondContact O-CA 3.5Å; K362-I415 HydrophobicContact CD-CG2 3.63Å; K362-I415 HydrophobicContact CG-CG2 4.1Å; L404-I415 HydrophobicContact CD1-CD1 3.99Å; L404-I415 HydrophobicContact CD2-CD1 4.46Å; L413-I415 HydrophobicContact CD2-CD1 4.42Å; L413-I415 HydrophobicContact CD2-CG1 4.16Å; L413-I415 HydrophobicContact CG-CG1 4.3Å
416	V	84.1	Confident	64.5	Low	19 Å²	19	66.6 Å²	66.6	12%	0.115	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	158.9	179.7	-62.9	0	0	0	0	110.1	L333 I350 L354 V359 V360 V361 K362	L333-V416 HydrophobicContact CD2-CG2 4.35Å; I350-V416 HydrophobicContact CG2-CB 3.89Å; I350-V416 HydrophobicContact CG2-CG2 3.49Å; I350-V416 VanDerWaalsContact CG2-CG2 3.49Å; L354-V416 HydrophobicContact CD2-CG1 3.6Å; V359-V416 HydrophobicContact CG2-CG1 4.42Å; V359-V416 HydrophobicContact CG2-CG2 3.62Å; V360-V416 PolarHBondContact O-N 3.02Å; V361-V416 CarbonylContact C-O 3.6Å; V361-V416 WeakPolarHBondContact CA-O 2.99Å; V361-V416 HydrophobicContact CB-CG2 4.44Å; V361-V416 HydrophobicContact CG2-CG2 4Å; K362-V416 PolarHBondContact N-O 2.96Å
417	N	85.5	Confident	62.4	Low	63 Å²	63	71 Å²	71	34%	0.337	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.4	176.9	-57.4	-79.5	0	0	0	109.9	K362 R363	K362-N417 WeakPolarHBondContact CB-OD1 3.46Å; R363-N417 HydrophobicContact CG-CB 4.2Å; R363-N417 VanDerWaalsContact NH1-CB 3.28Å; R363-N417 PolarHBondContact NH1-ND2 3.1Å
418	L	83.5	Confident	60.1	Low	9 Å²	9	76.1 Å²	76.1	5%	0.047	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-60.7	141.7	168.7	-78.5	161.5	0	0	0	111.1	Y335 I350 V361 K362 R363 L364 Y370	Y335-L418 HydrophobicContact CD1-CD2 3.48Å; Y335-L418 VanDerWaalsContact CD1-CD2 3.48Å; Y335-L418 HydrophobicContact CD2-CD2 3.66Å; Y335-L418 HydrophobicContact CE1-CD2 3.21Å; Y335-L418 HydrophobicContact CE2-CD2 3.44Å; Y335-L418 VanDerWaalsContact CE2-CD2 3.44Å; Y335-L418 HydrophobicContact CG-CD2 3.68Å; I350-L418 HydrophobicContact CD1-CD2 4.27Å; I350-L418 HydrophobicContact CG1-CD2 4.25Å; V361-L418 HydrophobicContact CG1-CD1 4.5Å; V361-L418 HydrophobicContact CG1-CG 4.06Å; K362-L418 PolarHBondContact O-N 3.07Å; R363-L418 HydrophobicContact CB-CB 4.42Å; R363-L418 PolarHBondContact NE-O 3.1Å; R363-L418 PolarHBondContact NH2-O 2.65Å; L364-L418 HydrophobicContact CB-CD1 4.19Å; L364-L418 HydrophobicContact CD1-CD1 4.42Å; L364-L418 HydrophobicContact CG-CD1 3.65Å; Y370-L418 HydrophobicContact CE1-CD1 4.45Å
419	P	73.3	Confident	58.1	Low	52 Å²	52	83 Å²	83	34%	0.338	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-62.2	142	172.7	8.4	-5.5	0	0	0	110.4
420	T	66	Low	56.5	Low	74 Å²	74	86.3 Å²	86.3	45%	0.454	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-76.6	148.4	177.4	-34.6	0	0	0	0	108.7	G422 D423	T420-G422 PolarHBondContact O-N 3.42Å; T420-D423 PolarHBondContact O-N 2.81Å; T420-D423 PolarHBondContact OG1-OD2 3.06Å
421	S	56.3	Low	54.6	Low	122 Å²	122	86.6 Å²	86.6	85%	0.853	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-12.7	178.9	49.2	0	0	0	0	114.9
422	G	46.4	Very low	52.5	Low	62 Å²	62	86.8 Å²	86.8	64%	0.639	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-11.8	175.2	0	0	0	0	0	116	T420	T420-G422 PolarHBondContact O-N 3.42Å
423	D	41.1	Very low	50.8	Low	111 Å²	111	90.6 Å²	90.6	59%	0.594	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	11.9	-172.3	-64.6	-35.6	0	0	0	113.7	T420	T420-D423 PolarHBondContact O-N 2.81Å; T420-D423 PolarHBondContact OG1-OD2 3.06Å
424	L	37.7	Very low	48.5	Very low	137 Å²	137	101 Å²	101	72%	0.717	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.4	9.1	-179.9	-81.7	162.2	0	0	0	113.9
425	G	31.1	Very low	46.1	Very low	48 Å²	48	103.6 Å²	103.6	50%	0.495	61%	0.606	S	S	.	*	S	Bend	trans	-116.7	134.6	169.1	0	0	0	0	0	109.2
426	D	30.3	Very low	43.5	Very low	156 Å²	156	109.8 Å²	109.8	83%	0.834	63%	0.633	S	S	*	*			trans	83	99.4	177.4	-49.8	-29.5	0	0	0	114.8	P428	D426-P428 WeakPolarHBondContact O-CD 3.49Å
427	I	29.8	Very low	40.7	Very low	161 Å²	161	120.1 Å²	120.1	83%	0.826	67%	0.67	S	S	*	*			trans	-45.9	119.8	158.1	-57.7	163.3	0	0	0	106.3	E429	I427-E429 PolarHBondContact O-N 3.19Å
428	P	28.6	Very low	37.6	Very low	116 Å²	116	125.4 Å²	125.4	75%	0.753	70%	0.695	S	S	*	*			trans	-64.1	99.7	180	-20.3	31.9	0	0	0	109.4	D426 E430	D426-P428 WeakPolarHBondContact O-CD 3.49Å; P428-E430 PolarHBondContact O-N 3.2Å
429	E	29.2	Very low	34.8	Very low	183 Å²	183	130.5 Å²	130.5	86%	0.855	73%	0.727	S	S	*	*			trans	-59.7	121.6	163.3	-164.3	171.1	-151.5	0	0	107.1	I427	I427-E429 PolarHBondContact O-N 3.19Å
430	E	27.9	Very low	32.6	Very low	180 Å²	180	131.3 Å²	131.3	84%	0.841	74%	0.738	S	S	*	*			trans	43.7	109	173.9	-65.8	-171.3	159.4	0	0	116.6	P428 G432	P428-E430 PolarHBondContact O-N 3.2Å; E430-G432 PolarHBondContact O-N 3.01Å
431	V	26.9	Very low	30.8	Very low	141 Å²	141	136.3 Å²	136.3	86%	0.855	75%	0.754	S	S	*	*			trans	-57.5	83.4	161.3	-176.8	0	0	0	0	108.6
432	G	26.3	Very low	29.7	Very low	45 Å²	45	137.9 Å²	137.9	46%	0.464	75%	0.753	S	S	.	*			trans	-58.9	136.6	162.1	0	0	0	0	0	107.6	E430 Y434	E430-G432 PolarHBondContact O-N 3.01Å; G432-Y434 PolarHBondContact O-N 3.34Å
433	P	30.4	Very low	29.1	Very low	125 Å²	125	140.6 Å²	140.6	81%	0.812	75%	0.747	S	S	*	*			trans	-61.4	108.9	-171	23.3	-30.5	0	0	0	109.1	A435	P433-A435 PolarHBondContact O-N 3.26Å
434	Y	24.8	Very low	28.7	Very low	231 Å²	231	142.3 Å²	142.3	91%	0.906	76%	0.756	S	S	*	*			trans	-73.8	71.3	-178.5	-140.4	-90.8	0	0	0	108.7	G432	G432-Y434 PolarHBondContact O-N 3.34Å
435	A	27	Very low	28.6	Very low	84 Å²	84	143.3 Å²	143.3	69%	0.694	76%	0.762	S	S	*	*			trans	-123.4	40.4	-177.3	0	0	0	0	0	111.6	P433	P433-A435 PolarHBondContact O-N 3.26Å
436	E	28.3	Very low	28.8	Very low	186 Å²	186	144.6 Å²	144.6	87%	0.869	78%	0.775	S	S	*	*			trans	-154.3	63.4	177	-110.2	171.6	-136.2	0	0	112.2
437	R	23.7	Very low	29.5	Very low	237 Å²	237	141.2 Å²	141.2	89%	0.894	76%	0.76	S	S	*	*			trans	-167.6	89.2	153.4	-107.9	-177.6	-154.5	-174.8	7.9	110.4
438	M	21.2	Very low	30.6	Very low	173 Å²	173	137.5 Å²	137.5	85%	0.852	75%	0.749	S	S	*	*			trans	-178	87.7	135.7	-102.6	173.7	64.6	0	0	108.4	A440	M438-A440 PolarHBondContact O-N 2.82Å
439	T	24.3	Very low	32.3	Very low	116 Å²	116	134.5 Å²	134.5	71%	0.712	73%	0.729	S	S	*	*			trans	-75.1	79.1	165.4	52.3	0	0	0	0	108.7	F441	T439-F441 VanDerWaalsContact C-N 3.27Å; T439-F441 PolarHBondContact O-N 3.32Å; T439-F441 VanDerWaalsContact O-N 3.15Å
440	A	27.3	Very low	34.1	Very low	70 Å²	70	129.6 Å²	129.6	58%	0.579	71%	0.706	S	S	*	*			trans	-71.7	94.1	152.7	0	0	0	0	0	106	M438 D442	M438-A440 PolarHBondContact O-N 2.82Å; A440-D442 PolarHBondContact O-N 3.04Å
441	F	28.7	Very low	36.2	Very low	178 Å²	178	123.3 Å²	123.3	78%	0.781	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	13.2	-155	-155.2	-98.9	0	0	0	116.3	T439	T439-F441 VanDerWaalsContact C-N 3.27Å; T439-F441 PolarHBondContact O-N 3.32Å; T439-F441 VanDerWaalsContact O-N 3.15Å
442	D	33.4	Very low	38	Very low	156 Å²	156	128.8 Å²	128.8	83%	0.834	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.2	10.6	-179.4	-75.1	-41.3	0	0	0	116.1	A440	A440-D442 PolarHBondContact O-N 3.04Å
443	F	33.4	Very low	40	Very low	118 Å²	118	132.9 Å²	132.9	52%	0.518	70%	0.695	S	S	.	*	S	Bend	trans	-116.6	4.2	173.3	-130.3	-91.3	0	0	0	115.5	N445 P465	F443-N445 VanDerWaalsContact C-N 3.31Å; F443-N445 PolarHBondContact O-N 3.42Å; F443-P465 HydrophobicContact CE2-CB 4.14Å; F443-P465 HydrophobicContact CE2-CG 4.14Å; F443-P465 HydrophobicContact CZ-CG 4.32Å
444	N	31.7	Very low	42.2	Very low	147 Å²	147	127.8 Å²	127.8	79%	0.786	67%	0.665	S	S	*	*			trans	-85.5	6.3	177.2	-88.9	-4.9	0	0	0	115.1	G446	N444-G446 VanDerWaalsContact C-N 3.27Å; N444-G446 PolarHBondContact O-N 3.32Å; N444-G446 VanDerWaalsContact O-N 3.16Å
445	N	35.8	Very low	45	Very low	158 Å²	158	118.9 Å²	118.9	85%	0.845	63%	0.633	S	S	*	*	S	Bend	trans	-88.2	67.7	165.9	-75.9	-8.8	0	0	0	111	F443 T447	F443-N445 VanDerWaalsContact C-N 3.31Å; F443-N445 PolarHBondContact O-N 3.42Å; N445-T447 PolarHBondContact O-N 2.97Å; N445-T447 VanDerWaalsContact O-N 3.11Å
446	G	36.3	Very low	47.8	Very low	75 Å²	75	115.6 Å²	115.6	77%	0.773	60%	0.603	S	S	*	*	S	Bend	trans	70.6	13.6	134.9	0	0	0	0	0	121	N444	N444-G446 VanDerWaalsContact C-N 3.27Å; N444-G446 PolarHBondContact O-N 3.32Å; N444-G446 VanDerWaalsContact O-N 3.16Å
447	T	44.2	Very low	50.7	Low	85 Å²	85	110.7 Å²	110.7	52%	0.521	58%	0.58	S	S	.	*			trans	-104.3	94.2	169.1	48.3	0	0	0	0	110.5	N445 T449	N445-T447 PolarHBondContact O-N 2.97Å; N445-T447 VanDerWaalsContact O-N 3.11Å; T447-T449 PolarHBondContact O-N 3.35Å
448	S	52.7	Low	54	Low	83 Å²	83	101.6 Å²	101.6	58%	0.58	55%	0.549	S	S	*	.			trans	-49	131.6	155.9	51.1	0	0	0	0	108	E450	S448-E450 WeakPolarHBondContact CB-O 3.47Å; S448-E450 PolarHBondContact O-N 3.39Å; S448-E450 VanDerWaalsContact O-N 3.09Å; S448-E450 PolarHBondContact OG-O 3.31Å
449	T	64.3	Low	57.3	Low	54 Å²	54	95.1 Å²	95.1	33%	0.331	52%	0.517	S	S	.	.	S	Bend	trans	-60	-19.2	173	49.9	0	0	0	0	111.3	T447 I456 Q457	T447-T449 PolarHBondContact O-N 3.35Å; T449-I456 CarbonylContact O-C 3.55Å; T449-I456 WeakPolarHBondContact O-CA 3.36Å; T449-Q457 PolarHBondContact O-N 2.73Å
450	E	67.1	Low	60.5	Low	80 Å²	80	97.6 Å²	97.6	37%	0.374	52%	0.52	S	S	.	.	B	Isolated β-bridge	trans	-97.4	142.8	176.2	-60.3	-175.4	169.4	0	0	112	S448 G454 L455 I456	S448-E450 WeakPolarHBondContact CB-O 3.47Å; S448-E450 PolarHBondContact O-N 3.39Å; S448-E450 VanDerWaalsContact O-N 3.09Å; S448-E450 PolarHBondContact OG-O 3.31Å; E450-G454 WeakPolarHBondContact OE2-CA 3.44Å; E450-L455 CarbonylContact C-O 3.44Å; E450-L455 VanDerWaalsContact CA-O 3.25Å; E450-L455 WeakPolarHBondContact CA-O 3.38Å; E450-I456 HydrophobicContact CG-CG1 4.32Å
451	N	71.7	Confident	63.4	Low	48 Å²	48	96 Å²	96	26%	0.257	50%	0.503	S	S	.	.			trans	-71.7	178.2	168.2	71.1	12.5	0	0	0	111.3	N453 G454 L455 Q457	N451-N453 PolarHBondContact O-N 3.48Å; N451-N453 WeakPolarHBondContact OD1-CA 3.36Å; N451-N453 WeakPolarHBondContact OD1-CB 3.15Å; N451-N453 PolarHBondContact OD1-N 2.92Å; N451-G454 PolarHBondContact O-N 3.12Å; N451-G454 PolarHBondContact OD1-N 2.85Å; N451-L455 PolarHBondContact N-O 2.87Å; N451-L455 PolarHBondContact OD1-N 2.81Å; N451-L455 PolarHBondContact OD1-O 2.86Å; N451-Q457 HydrophobicContact CB-CG 3.88Å; N451-Q457 VanDerWaalsContact CB-NE2 3.34Å
452	R	65.2	Low	66.2	Low	255 Å²	255	96.3 Å²	96.3	96%	0.962	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-17.6	177.4	-67.4	-176.5	179.4	179.2	-0.3	114.8
453	N	68.4	Low	68.6	Low	132 Å²	132	97.2 Å²	97.2	71%	0.706	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	6.6	178.5	-59	-6.5	0	0	0	112.3	N451 L455	N451-N453 PolarHBondContact O-N 3.48Å; N451-N453 WeakPolarHBondContact OD1-CA 3.36Å; N451-N453 WeakPolarHBondContact OD1-CB 3.15Å; N451-N453 PolarHBondContact OD1-N 2.92Å; N453-L455 VanDerWaalsContact C-N 3.32Å; N453-L455 HydrophobicContact CB-CG 4.42Å; N453-L455 PolarHBondContact O-N 3.16Å
454	G	76.1	Confident	70.9	Confident	18 Å²	18	93.5 Å²	93.5	19%	0.186	49%	0.489	C	S	.	.	S	Bend	trans	72.6	20.5	-176.6	0	0	0	0	0	114	E450 N451 K522	E450-G454 WeakPolarHBondContact OE2-CA 3.44Å; N451-G454 PolarHBondContact O-N 3.12Å; N451-G454 PolarHBondContact OD1-N 2.85Å; G454-K522 PolarHBondContact O-NZ 2.82Å
455	L	83.8	Confident	73.2	Confident	44 Å²	44	87.1 Å²	87.1	23%	0.23	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-98.5	135.1	176.3	-57.9	172.4	0	0	0	110.3	E450 N451 N453 Q457 R519	E450-L455 CarbonylContact C-O 3.44Å; E450-L455 VanDerWaalsContact CA-O 3.25Å; E450-L455 WeakPolarHBondContact CA-O 3.38Å; N451-L455 PolarHBondContact N-O 2.87Å; N451-L455 PolarHBondContact OD1-N 2.81Å; N451-L455 PolarHBondContact OD1-O 2.86Å; N453-L455 VanDerWaalsContact C-N 3.32Å; N453-L455 HydrophobicContact CB-CG 4.42Å; N453-L455 PolarHBondContact O-N 3.16Å; L455-Q457 PolarHBondContact O-N 2.81Å; L455-R519 VanDerWaalsContact CD2-O 3.27Å; L455-R519 WeakPolarHBondContact CD2-O 3.31Å
456	I	86.7	Confident	75.2	Confident	14 Å²	14	86.1 Å²	86.1	7%	0.072	46%	0.455	C	S	.	.	B	Isolated β-bridge	trans	-62.2	131.1	178.5	-64.4	166.6	0	0	0	110.1	T449 E450 Y515 L529 A532	T449-I456 CarbonylContact O-C 3.55Å; T449-I456 WeakPolarHBondContact O-CA 3.36Å; E450-I456 HydrophobicContact CG-CG1 4.32Å; I456-Y515 PolarHBondContact O-OH 3.38Å; I456-L529 HydrophobicContact CB-CD2 4.21Å; I456-L529 VanDerWaalsContact CD1-C 3.42Å; I456-L529 HydrophobicContact CD1-CB 3.99Å; I456-L529 HydrophobicContact CD1-CD2 4.18Å; I456-L529 HydrophobicContact CD1-CG 3.87Å; I456-L529 WeakPolarHBondContact CD1-O 3.38Å; I456-L529 HydrophobicContact CG2-CD2 4.07Å; I456-L529 HydrophobicContact CG2-CG 4.44Å; I456-A532 HydrophobicContact CG2-CB 4.4Å
457	Q	89.7	Confident	77	Confident	83 Å²	83	83.7 Å²	83.7	39%	0.388	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-92.8	150.6	175.7	-67.6	-169.8	-26	0	0	111.4	T449 N451 L455 H459	T449-Q457 PolarHBondContact O-N 2.73Å; N451-Q457 HydrophobicContact CB-CG 3.88Å; N451-Q457 VanDerWaalsContact CB-NE2 3.34Å; L455-Q457 PolarHBondContact O-N 2.81Å; Q457-H459 PolarHBondContact O-CD2 3.28Å
458	L	92	Very high	78.7	Confident	46 Å²	46	80.8 Å²	80.8	24%	0.241	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.4	172.2	-176.9	61.8	0	0	0	108.1	I512 Y515 A532 L534 L539	L458-I512 HydrophobicContact CD2-CD1 3.79Å; L458-Y515 HydrophobicContact CB-CE1 3.8Å; L458-Y515 HydrophobicContact CB-CE2 4.03Å; L458-Y515 WeakPolarHBondContact CB-OH 3.47Å; L458-Y515 HydrophobicContact CD2-CD1 4.28Å; L458-Y515 HydrophobicContact CD2-CE1 4.2Å; L458-Y515 PolarHBondContact N-OH 3.41Å; L458-A532 HydrophobicContact CD1-CB 3.77Å; L458-L534 HydrophobicContact CD1-CG 4Å; L458-L534 HydrophobicContact CD2-CD1 3.72Å; L458-L534 HydrophobicContact CD2-CD2 4.34Å; L458-L534 HydrophobicContact CD2-CG 3.82Å; L458-L534 HydrophobicContact CG-CD1 4.11Å; L458-L534 HydrophobicContact CG-CG 3.92Å; L458-L539 HydrophobicContact CD1-CD1 3.59Å; L458-L539 HydrophobicContact CD2-CD1 4.4Å
459	H	90.7	Very high	79.9	Confident	38 Å²	38	80.1 Å²	80.1	18%	0.176	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120	-178.6	-60.5	-78	0	0	0	110.6	Q457 V461 A532 F533 L534	Q457-H459 PolarHBondContact O-CD2 3.28Å; H459-V461 HydrophobicContact CB-CG1 4.08Å; H459-A532 PolarHBondContact N-O 3.45Å; H459-A532 VanDerWaalsContact N-O 3.08Å; H459-F533 HydrophobicContact CB-CD1 3.82Å; H459-F533 HydrophobicContact CB-CE1 4.08Å; H459-F533 CarbonylContact O-C 3.54Å; H459-F533 WeakPolarHBondContact O-CA 2.94Å; H459-L534 PolarHBondContact O-N 3.36Å
460	E	91.2	Very high	80.7	Confident	168 Å²	168	80.3 Å²	80.3	79%	0.785	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	120.2	168.8	-170.5	168.4	-169.3	0	0	109.3	L534	E460-L534 WeakPolarHBondContact CA-O 3Å; E460-L534 HydrophobicContact CB-CB 4.22Å; E460-L534 HydrophobicContact CG-CB 4.16Å
461	V	89.4	Confident	81.3	Confident	37 Å²	37	77.3 Å²	77.3	22%	0.224	38%	0.376	C	S	.	.			trans	-133.5	134	-170.9	-62.7	0	0	0	0	111.7	H459 K463 L464 F533 L534 H535	H459-V461 HydrophobicContact CB-CG1 4.08Å; V461-K463 VanDerWaalsContact C-N 3.29Å; V461-L464 HydrophobicContact CG2-CD2 4.21Å; V461-F533 HydrophobicContact CG1-CD1 4.01Å; V461-F533 HydrophobicContact CG2-CB 4.21Å; V461-F533 HydrophobicContact CG2-CD1 3.96Å; V461-F533 HydrophobicContact CG2-CG 4.43Å; V461-L534 PolarHBondContact N-O 2.98Å; V461-H535 HydrophobicContact CG2-CB 4.14Å; V461-H535 PolarHBondContact O-ND1 3.18Å
462	E	86.3	Confident	81.3	Confident	184 Å²	184	76 Å²	76	86%	0.86	37%	0.371	S	S	*	.	S	Bend	trans	-70.1	-28.9	172.8	-67.4	-173.7	176.4	0	0	112.3	H535	E462-H535 PolarHBondContact O-CE1 3.36Å; E462-H535 PolarHBondContact O-ND1 2.89Å
463	K	83.7	Confident	82	Confident	174 Å²	174	67.8 Å²	67.8	76%	0.757	34%	0.343	S	S	*	.	S	Bend	trans	-137.5	134	175.5	-68	-177.8	-177.5	175.1	0	109.1	V461	V461-K463 VanDerWaalsContact C-N 3.29Å
464	L	82.9	Confident	82.3	Confident	40 Å²	40	65.9 Å²	65.9	21%	0.209	33%	0.332	C	S	.	.			trans	-62.8	145.3	173.5	-75.4	167.3	0	0	0	110.9	V461 T466 F470 F533 H535 I540	V461-L464 HydrophobicContact CG2-CD2 4.21Å; L464-T466 PolarHBondContact O-N 3.33Å; L464-F470 HydrophobicContact CD1-CE2 3.87Å; L464-F470 HydrophobicContact CD1-CZ 3.97Å; L464-F533 HydrophobicContact CD2-CB 3.96Å; L464-F533 HydrophobicContact CD2-CD2 4.27Å; L464-F533 HydrophobicContact CD2-CG 4.05Å; L464-H535 HydrophobicContact CD2-CB 4.12Å; L464-H535 HydrophobicContact CG-CB 4.16Å; L464-I540 HydrophobicContact CD1-CD1 3.71Å; L464-I540 HydrophobicContact CD2-CD1 4.03Å; L464-I540 HydrophobicContact CG-CD1 4.36Å
465	P	80.2	Confident	82.4	Confident	14 Å²	14	70.6 Å²	70.6	9%	0.091	35%	0.348	C	S	.	.			trans	-56.5	132.7	175.6	-23.9	33.6	0	0	0	111.4	F443 C467 F468 F533	F443-P465 HydrophobicContact CE2-CB 4.14Å; F443-P465 HydrophobicContact CE2-CG 4.14Å; F443-P465 HydrophobicContact CZ-CG 4.32Å; P465-C467 VanDerWaalsContact CB-SG 3.54Å; P465-C467 PolarHBondContact O-N 2.84Å; P465-F468 HydrophobicContact CB-CD2 4Å; P465-F468 HydrophobicContact CB-CE2 4.31Å; P465-F468 HydrophobicContact CG-CD2 4.24Å; P465-F468 HydrophobicContact CG-CE2 4.31Å; P465-F468 PolarHBondContact O-N 2.97Å; P465-F533 HydrophobicContact CG-CE1 3.73Å; P465-F533 HydrophobicContact CG-CE2 4.49Å; P465-F533 HydrophobicContact CG-CZ 3.71Å
466	T	76.3	Confident	82.2	Confident	137 Å²	137	76 Å²	76	84%	0.84	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.6	-178.3	50.7	0	0	0	0	113.5	L464 F468	L464-T466 PolarHBondContact O-N 3.33Å; T466-F468 PolarHBondContact O-N 2.82Å
467	C	74.8	Confident	81.7	Confident	23 Å²	23	76.6 Å²	76.6	16%	0.155	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.3	174.3	57.4	0	0	0	0	113.5	P465 Q488 V489	P465-C467 VanDerWaalsContact CB-SG 3.54Å; P465-C467 PolarHBondContact O-N 2.84Å; C467-Q488 HydrophobicContact CB-CB 4.47Å; C467-Q488 VanDerWaalsContact O-CB 3.29Å; C467-Q488 WeakPolarHBondContact O-CB 3.45Å; C467-Q488 VanDerWaalsContact O-CG 3.3Å; C467-Q488 WeakPolarHBondContact O-CG 3.43Å; C467-Q488 PolarHBondContact O-N 3.35Å; C467-V489 HydrophobicContact CB-CB 4.47Å; C467-V489 HydrophobicContact CB-CG2 3.44Å; C467-V489 VanDerWaalsContact CB-CG2 3.44Å
468	F	79.4	Confident	81.1	Confident	24 Å²	24	79.4 Å²	79.4	11%	0.105	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	111.2	177.3	-65.9	-65.3	0	0	0	110.8	P465 T466 V486 D487 S531 F533 F542	P465-F468 HydrophobicContact CB-CD2 4Å; P465-F468 HydrophobicContact CB-CE2 4.31Å; P465-F468 HydrophobicContact CG-CD2 4.24Å; P465-F468 HydrophobicContact CG-CE2 4.31Å; P465-F468 PolarHBondContact O-N 2.97Å; T466-F468 PolarHBondContact O-N 2.82Å; F468-V486 WeakPolarHBondContact CA-O 3.45Å; F468-D487 HydrophobicContact CD1-CB 4.05Å; F468-D487 HydrophobicContact CE1-CB 3.76Å; F468-D487 WeakPolarHBondContact CE1-OD2 3.23Å; F468-S531 WeakPolarHBondContact CZ-OG 3.46Å; F468-F533 HydrophobicContact CD2-CE2 4.31Å; F468-F533 AromaticContact CE2-CE2 3.77Å; F468-F533 HydrophobicContact CE2-CE2 3.77Å; F468-F533 AromaticContact CE2-CZ 3.93Å; F468-F533 HydrophobicContact CE2-CZ 3.93Å; F468-F542 HydrophobicContact CB-CE1 3.52Å; F468-F542 HydrophobicContact CB-CZ 3.54Å; F468-F542 AromaticContact CD1-CD1 3.48Å; F468-F542 HydrophobicContact CD1-CD1 3.48Å; F468-F542 VanDerWaalsContact CD1-CD1 3.48Å; F468-F542 AromaticContact CD1-CE1 3.25Å; F468-F542 HydrophobicContact CD1-CE1 3.25Å; F468-F542 HydrophobicContact CD1-CG 4.26Å; F468-F542 AromaticContact CD1-CZ 3.84Å; F468-F542 HydrophobicContact CD1-CZ 3.84Å; F468-F542 HydrophobicContact CD2-CE1 4.05Å; F468-F542 HydrophobicContact CD2-CE2 4.04Å; F468-F542 AromaticContact CD2-CZ 3.74Å; F468-F542 HydrophobicContact CD2-CZ 3.74Å; F468-F542 AromaticContact CE1-CD1 3.71Å; F468-F542 HydrophobicContact CE1-CD1 3.71Å; F468-F542 AromaticContact CE1-CE1 3.94Å; F468-F542 HydrophobicContact CE1-CE1 3.94Å; F468-F542 HydrophobicContact CE1-CG 4.11Å; F468-F542 HydrophobicContact CE1-CZ 4.49Å; F468-F542 HydrophobicContact CE2-CE2 4.36Å; F468-F542 HydrophobicContact CE2-CZ 4.42Å; F468-F542 AromaticContact CG-CD1 3.99Å; F468-F542 HydrophobicContact CG-CD1 3.99Å; F468-F542 AromaticContact CG-CE1 3.32Å; F468-F542 HydrophobicContact CG-CE1 3.32Å; F468-F542 HydrophobicContact CG-CE2 4.15Å; F468-F542 AromaticContact CG-CZ 3.42Å; F468-F542 HydrophobicContact CG-CZ 3.42Å; F468-F542 VanDerWaalsContact CG-CZ 3.42Å; F468-F542 HydrophobicContact CZ-CD1 4.4Å; F468-F542 HydrophobicContact CZ-CG 4.41Å
469	Q	77.4	Confident	80.6	Confident	70 Å²	70	83.6 Å²	83.6	33%	0.327	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.7	175.5	-174.5	178.5	-8	0	0	110.1	A485 V486	Q469-A485 CarbonylContact O-C 3.56Å; Q469-A485 WeakPolarHBondContact O-CA 3.44Å; Q469-A485 WeakPolarHBondContact O-CB 3.36Å; Q469-V486 PolarHBondContact N-O 2.79Å; Q469-V486 PolarHBondContact O-N 2.83Å
470	F	81.5	Confident	80.5	Confident	58 Å²	58	83 Å²	83	25%	0.254	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	136.4	175.4	-71	-99.1	0	0	0	111.4	L464 R483 V498 I500 I540 F542	L464-F470 HydrophobicContact CD1-CE2 3.87Å; L464-F470 HydrophobicContact CD1-CZ 3.97Å; F470-R483 HydrophobicContact CD1-CB 4.44Å; F470-V498 HydrophobicContact CE1-CB 4Å; F470-V498 HydrophobicContact CE1-CG1 3.72Å; F470-V498 HydrophobicContact CE1-CG2 4.16Å; F470-V498 HydrophobicContact CZ-CG1 4.18Å; F470-I500 HydrophobicContact CD1-CD1 4.41Å; F470-I500 HydrophobicContact CE1-CD1 3.85Å; F470-I500 HydrophobicContact CE1-CG1 4.41Å; F470-I540 HydrophobicContact CZ-CG2 4.43Å; F470-F542 HydrophobicContact CE2-CZ 4.31Å; F470-F542 AromaticContact CZ-CZ 3.95Å; F470-F542 HydrophobicContact CZ-CZ 3.95Å
471	E	79.1	Confident	80.4	Confident	17 Å²	17	75.6 Å²	75.6	8%	0.079	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-145.3	-179.4	-60.7	-172.7	144.1	0	0	110.7	R408 R483 N484 V486 H495	R408-E471 VanDerWaalsContact CD-OE1 3.27Å; R408-E471 WeakPolarHBondContact CD-OE1 3.34Å; R408-E471 IonicContact NH1-OE1 3.93Å; E471-R483 PolarHBondContact O-NE 3.48Å; E471-R483 PolarHBondContact O-NH2 3.31Å; E471-N484 WeakPolarHBondContact CA-O 3.04Å; E471-N484 HydrophobicContact CB-CB 3.76Å; E471-N484 PolarHBondContact N-O 2.85Å; E471-V486 HydrophobicContact CG-CG2 4.44Å; E471-V486 WeakPolarHBondContact OE1-CG2 3.41Å; E471-H495 IonicContact OE2-ND1 3.59Å
472	S	72.8	Confident	80.4	Confident	19 Å²	19	75.7 Å²	75.7	13%	0.133	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	149.9	-179.7	47.8	0	0	0	0	113	K409 R483 N484	K409-S472 WeakPolarHBondContact CG-OG 3.21Å; S472-R483 CarbonylContact O-C 3.56Å; S472-R483 VanDerWaalsContact O-CA 3.28Å; S472-R483 WeakPolarHBondContact O-CA 3.4Å; S472-N484 PolarHBondContact O-N 3.11Å; S472-N484 PolarHBondContact OG-ND2 3.01Å
473	E	79.6	Confident	80.4	Confident	83 Å²	83	70.8 Å²	70.8	39%	0.388	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.7	160.8	-171.1	162.1	108.4	0	0	109.8	R476	E473-R476 VanDerWaalsContact CD-NE 3.34Å; E473-R476 VanDerWaalsContact OE1-CB 3.23Å; E473-R476 WeakPolarHBondContact OE1-CB 3.47Å; E473-R476 IonicContact OE1-CZ 3.74Å; E473-R476 IonicContact OE1-NE 2.86Å; E473-R476 PolarHBondContact OE1-NE 2.86Å; E473-R476 IonicContact OE1-NH2 2.69Å; E473-R476 IonicContact OE2-CZ 3.68Å; E473-R476 VanDerWaalsContact OE2-CZ 3.23Å; E473-R476 IonicContact OE2-NE 2.87Å; E473-R476 PolarHBondContact OE2-NE 3.01Å; E473-R476 VanDerWaalsContact OE2-NE 3.1Å; E473-R476 IonicContact OE2-NH2 3.78Å; E473-R476 PolarHBondContact OE2-NH2 2.88Å
474	I	75.7	Confident	80.3	Confident	92 Å²	92	63.1 Å²	63.1	47%	0.472	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-45.7	173.4	-58.9	175.8	0	0	0	108.5	I482 N484	I474-I482 HydrophobicContact CB-CG2 4.31Å; I474-I482 HydrophobicContact CD1-CG2 4.13Å; I474-I482 PolarHBondContact N-O 2.93Å; I474-N484 WeakPolarHBondContact CG1-ND2 3.49Å
475	F	76.9	Confident	80.2	Confident	117 Å²	117	61.2 Å²	61.2	51%	0.513	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	146.7	-174	178.1	-104	0	0	0	110.8	G477 S481 I482	F475-G477 VanDerWaalsContact CE1-N 3.33Å; F475-S481 CarbonylContact O-C 3.49Å; F475-S481 WeakPolarHBondContact O-CA 3.23Å; F475-I482 HydrophobicContact CB-CB 4.32Å; F475-I482 HydrophobicContact CD1-CD1 4.34Å; F475-I482 PolarHBondContact N-O 2.94Å; F475-I482 PolarHBondContact O-N 3.36Å
476	R	80	Confident	79.9	Confident	157 Å²	157	60.6 Å²	60.6	59%	0.592	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	108.8	170.9	177.6	177.4	-67.5	-90.1	0.6	108.9	E473	E473-R476 VanDerWaalsContact CD-NE 3.34Å; E473-R476 VanDerWaalsContact OE1-CB 3.23Å; E473-R476 WeakPolarHBondContact OE1-CB 3.47Å; E473-R476 IonicContact OE1-CZ 3.74Å; E473-R476 IonicContact OE1-NE 2.86Å; E473-R476 PolarHBondContact OE1-NE 2.86Å; E473-R476 IonicContact OE1-NH2 2.69Å; E473-R476 IonicContact OE2-CZ 3.68Å; E473-R476 VanDerWaalsContact OE2-CZ 3.23Å; E473-R476 IonicContact OE2-NE 2.87Å; E473-R476 PolarHBondContact OE2-NE 3.01Å; E473-R476 VanDerWaalsContact OE2-NE 3.1Å; E473-R476 IonicContact OE2-NH2 3.78Å; E473-R476 PolarHBondContact OE2-NH2 2.88Å
477	G	75.8	Confident	79.7	Confident	28 Å²	28	54.6 Å²	54.6	29%	0.289	25%	0.254	S	S	.	.			trans	-98.1	-177.1	174.3	0	0	0	0	0	111.8	F475 F479 C480	F475-G477 VanDerWaalsContact CE1-N 3.33Å; G477-F479 VanDerWaalsContact C-N 3.29Å; G477-F479 PolarHBondContact O-N 2.93Å; G477-C480 PolarHBondContact N-O 3.18Å
478	R	77.2	Confident	79.4	Confident	142 Å²	142	58.1 Å²	58.1	54%	0.536	27%	0.268	S	S	.	.	S	Bend	trans	-62	-36.8	176.9	-175.1	176	-175	-166.3	8.8	113	I756 H757	R478-I756 PolarHBondContact NE-O 2.89Å; R478-I756 VanDerWaalsContact NH1-CB 3.34Å; R478-I756 PolarHBondContact NH1-O 3.46Å; R478-I756 PolarHBondContact NH2-O 2.82Å; R478-H757 PolarHBondContact NH2-O 3.49Å
479	F	82.5	Confident	78.6	Confident	134 Å²	134	62.5 Å²	62.5	59%	0.588	30%	0.296	S	S	*	.	S	Bend	trans	-109.6	-18.7	-169.1	-54	-65.9	0	0	0	114	G477 P502	G477-F479 VanDerWaalsContact C-N 3.29Å; G477-F479 PolarHBondContact O-N 2.93Å; F479-P502 WeakPolarHBondContact O-CD 3.32Å
480	C	88.1	Confident	77.7	Confident	25 Å²	25	64 Å²	64	17%	0.169	30%	0.299	C	S	.	.			trans	-152.7	162.2	-178.9	68.4	0	0	0	0	111.6	G477 K499 I500	G477-C480 PolarHBondContact N-O 3.18Å; C480-K499 HydrophobicContact CB-CG 4.25Å; C480-I500 CarbonylContact C-O 3.31Å; C480-I500 VanDerWaalsContact CA-O 3.25Å; C480-I500 WeakPolarHBondContact CA-O 3.48Å; C480-I500 WeakPolarHBondContact CB-O 3.41Å
481	S	88.9	Confident	76.3	Confident	12 Å²	12	69 Å²	69	8%	0.084	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.1	166.8	62.5	0	0	0	0	109.8	F475 I500	F475-S481 CarbonylContact O-C 3.49Å; F475-S481 WeakPolarHBondContact O-CA 3.23Å; S481-I500 PolarHBondContact N-O 3.38Å; S481-I500 PolarHBondContact O-N 3.27Å
482	I	88.4	Confident	74.7	Confident	39 Å²	39	76.6 Å²	76.6	20%	0.2	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.7	178.1	-54.4	177.3	0	0	0	107.8	I474 F475 V498	I474-I482 HydrophobicContact CB-CG2 4.31Å; I474-I482 HydrophobicContact CD1-CG2 4.13Å; I474-I482 PolarHBondContact N-O 2.93Å; F475-I482 HydrophobicContact CB-CB 4.32Å; F475-I482 HydrophobicContact CD1-CD1 4.34Å; F475-I482 PolarHBondContact N-O 2.94Å; F475-I482 PolarHBondContact O-N 3.36Å; I482-V498 CarbonylContact C-O 3.51Å; I482-V498 VanDerWaalsContact CA-O 3.28Å; I482-V498 WeakPolarHBondContact CA-O 3.45Å
483	R	87.2	Confident	73.4	Confident	82 Å²	82	78.1 Å²	78.1	31%	0.309	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	149.9	179.9	-56.7	-174	67	168.5	0	110.8	F470 E471 S472 A497 V498 I500	F470-R483 HydrophobicContact CD1-CB 4.44Å; E471-R483 PolarHBondContact O-NE 3.48Å; E471-R483 PolarHBondContact O-NH2 3.31Å; S472-R483 CarbonylContact O-C 3.56Å; S472-R483 VanDerWaalsContact O-CA 3.28Å; S472-R483 WeakPolarHBondContact O-CA 3.4Å; R483-A497 CarbonylContact O-C 3.56Å; R483-A497 WeakPolarHBondContact O-CA 3.4Å; R483-V498 PolarHBondContact N-O 3.01Å; R483-V498 PolarHBondContact O-N 3.48Å; R483-I500 HydrophobicContact CG-CD1 4.49Å
484	N	81.8	Confident	72.6	Confident	12 Å²	12	76.1 Å²	76.1	6%	0.064	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	146.6	161.1	-75.6	-66.8	0	0	0	108.7	E471 S472 I474 K545	E471-N484 WeakPolarHBondContact CA-O 3.04Å; E471-N484 HydrophobicContact CB-CB 3.76Å; E471-N484 PolarHBondContact N-O 2.85Å; S472-N484 PolarHBondContact O-N 3.11Å; S472-N484 PolarHBondContact OG-ND2 3.01Å; I474-N484 WeakPolarHBondContact CG1-ND2 3.49Å; N484-K545 WeakPolarHBondContact OD1-CE 3.09Å; N484-K545 PolarHBondContact OD1-NZ 2.72Å
485	A	81.3	Confident	72.4	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	167.6	166.6	0	0	0	0	0	110.9	Q469 C496 V498 F542	Q469-A485 CarbonylContact O-C 3.56Å; Q469-A485 WeakPolarHBondContact O-CA 3.44Å; Q469-A485 WeakPolarHBondContact O-CB 3.36Å; A485-C496 VanDerWaalsContact C-SG 3.59Å; A485-C496 PolarHBondContact N-O 3.02Å; A485-C496 PolarHBondContact O-N 2.98Å; A485-C496 VanDerWaalsContact O-O 3.11Å; A485-C496 PolarHBondContact O-SG 2.87Å; A485-C496 VanDerWaalsContact O-SG 3.37Å; A485-V498 HydrophobicContact CB-CG2 3.33Å; A485-F542 HydrophobicContact CB-CE1 4.23Å
486	V	72.4	Confident	72.7	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.6	175.1	172.5	0	0	0	0	108.3	F468 Q469 E471 Q488	F468-V486 WeakPolarHBondContact CA-O 3.45Å; Q469-V486 PolarHBondContact N-O 2.79Å; Q469-V486 PolarHBondContact O-N 2.83Å; E471-V486 HydrophobicContact CG-CG2 4.44Å; E471-V486 WeakPolarHBondContact OE1-CG2 3.41Å; V486-Q488 HydrophobicContact CG1-CG 4.4Å
487	D	72.1	Confident	73.1	Confident	11 Å²	11	61.2 Å²	61.2	6%	0.059	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	108.3	168	-176	-22.3	0	0	0	108.3	F468 V489 R490 S493 A494	F468-D487 HydrophobicContact CD1-CB 4.05Å; F468-D487 HydrophobicContact CE1-CB 3.76Å; F468-D487 WeakPolarHBondContact CE1-OD2 3.23Å; D487-V489 VanDerWaalsContact C-N 3.27Å; D487-V489 PolarHBondContact O-N 3.36Å; D487-V489 WeakPolarHBondContact OD1-CB 3.4Å; D487-V489 PolarHBondContact OD1-N 2.98Å; D487-R490 HydrophobicContact CB-CB 4.34Å; D487-R490 HydrophobicContact CB-CG 4.4Å; D487-R490 PolarHBondContact OD1-N 3.35Å; D487-R490 WeakPolarHBondContact OD2-CD 3.43Å; D487-R490 VanDerWaalsContact OD2-CG 3.23Å; D487-R490 WeakPolarHBondContact OD2-CG 3.41Å; D487-R490 IonicContact OD2-NE 3.05Å; D487-R490 PolarHBondContact OD2-NE 3.29Å; D487-R490 VanDerWaalsContact OD2-NE 3.11Å; D487-S493 CarbonylContact O-C 3.58Å; D487-S493 WeakPolarHBondContact O-CA 3.44Å; D487-A494 PolarHBondContact N-O 2.83Å
488	Q	69.2	Low	73.9	Confident	97 Å²	97	59.9 Å²	59.9	45%	0.453	29%	0.291	S	S	.	.	S	Bend	trans	-76	-12	-178.2	-64.9	-179.6	-6.9	0	0	113.6	C467 V486	C467-Q488 HydrophobicContact CB-CB 4.47Å; C467-Q488 VanDerWaalsContact O-CB 3.29Å; C467-Q488 WeakPolarHBondContact O-CB 3.45Å; C467-Q488 VanDerWaalsContact O-CG 3.3Å; C467-Q488 WeakPolarHBondContact O-CG 3.43Å; C467-Q488 PolarHBondContact O-N 3.35Å; V486-Q488 HydrophobicContact CG1-CG 4.4Å
489	V	63.3	Low	74.6	Confident	116 Å²	116	53.8 Å²	53.8	70%	0.703	27%	0.269	S	S	*	.	S	Bend	trans	-90.6	-37.2	-179	172.9	0	0	0	0	111.2	C467 D487	C467-V489 HydrophobicContact CB-CB 4.47Å; C467-V489 HydrophobicContact CB-CG2 3.44Å; C467-V489 VanDerWaalsContact CB-CG2 3.44Å; D487-V489 VanDerWaalsContact C-N 3.27Å; D487-V489 PolarHBondContact O-N 3.36Å; D487-V489 WeakPolarHBondContact OD1-CB 3.4Å; D487-V489 PolarHBondContact OD1-N 2.98Å
490	R	58.7	Low	75.2	Confident	101 Å²	101	48.6 Å²	48.6	38%	0.381	25%	0.247	S	C	.	.	S	Bend	trans	-65.3	144.6	175.4	-73.9	176.5	-174.2	-141.6	-6.9	111.1	D487 H492 S493 A494 L530	D487-R490 HydrophobicContact CB-CB 4.34Å; D487-R490 HydrophobicContact CB-CG 4.4Å; D487-R490 PolarHBondContact OD1-N 3.35Å; D487-R490 WeakPolarHBondContact OD2-CD 3.43Å; D487-R490 VanDerWaalsContact OD2-CG 3.23Å; D487-R490 WeakPolarHBondContact OD2-CG 3.41Å; D487-R490 IonicContact OD2-NE 3.05Å; D487-R490 PolarHBondContact OD2-NE 3.29Å; D487-R490 VanDerWaalsContact OD2-NE 3.11Å; R490-H492 PolarHBondContact O-N 3.41Å; R490-S493 PolarHBondContact O-N 3.11Å; R490-S493 VanDerWaalsContact O-N 3.16Å; R490-A494 HydrophobicContact CB-CB 4.24Å; R490-L530 VanDerWaalsContact NH2-CB 3.35Å; R490-L530 PolarHBondContact NH2-O 3.31Å
491	E	50.6	Low	75.5	Confident	163 Å²	163	48 Å²	48	76%	0.762	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-48.3	139.8	175.8	-68.6	-174.4	173.8	0	0	111.1	S493	E491-S493 VanDerWaalsContact C-N 3.26Å; E491-S493 PolarHBondContact O-N 3.03Å
492	H	46.3	Very low	75.6	Confident	176 Å²	176	50.7 Å²	50.7	82%	0.815	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	63.9	16.6	-180	-50	89.5	0	0	0	116.4	R490 A494	R490-H492 PolarHBondContact O-N 3.41Å; H492-A494 VanDerWaalsContact C-N 3.32Å; H492-A494 PolarHBondContact O-N 3.46Å
493	S	46.3	Very low	75.8	Confident	51 Å²	51	50.7 Å²	50.7	36%	0.357	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	53.6	51.9	-178.1	-57.9	0	0	0	0	111.1	D487 R490 E491 H495	D487-S493 CarbonylContact O-C 3.58Å; D487-S493 WeakPolarHBondContact O-CA 3.44Å; R490-S493 PolarHBondContact O-N 3.11Å; R490-S493 VanDerWaalsContact O-N 3.16Å; E491-S493 VanDerWaalsContact C-N 3.26Å; E491-S493 PolarHBondContact O-N 3.03Å; S493-H495 PolarHBondContact O-N 3.16Å
494	A	62.4	Low	75.9	Confident	41 Å²	41	51.1 Å²	51.1	34%	0.339	27%	0.269	S	S	.	.			trans	-53.4	122.2	-170.6	0	0	0	0	0	111.3	D487 R490 H492 C496	D487-A494 PolarHBondContact N-O 2.83Å; R490-A494 HydrophobicContact CB-CB 4.24Å; H492-A494 VanDerWaalsContact C-N 3.32Å; H492-A494 PolarHBondContact O-N 3.46Å; A494-C496 PolarHBondContact O-N 3.4Å
495	H	71	Confident	76.1	Confident	40 Å²	40	59 Å²	59	19%	0.185	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.7	172.6	-70.7	-80.9	0	0	0	109.8	L412 E471 S493 K545	L412-H495 HydrophobicContact CD2-CB 4.46Å; E471-H495 IonicContact OE2-ND1 3.59Å; S493-H495 PolarHBondContact O-N 3.16Å; H495-K545 HydrophobicContact CB-CB 4.42Å; H495-K545 HydrophobicContact CB-CD 3.55Å; H495-K545 WeakPolarHBondContact O-CB 3.36Å
496	C	84	Confident	76.1	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.007	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	166.3	177.8	57.2	0	0	0	0	110.4	A485 A494 L530 M543	A485-C496 VanDerWaalsContact C-SG 3.59Å; A485-C496 PolarHBondContact N-O 3.02Å; A485-C496 PolarHBondContact O-N 2.98Å; A485-C496 VanDerWaalsContact O-O 3.11Å; A485-C496 PolarHBondContact O-SG 2.87Å; A485-C496 VanDerWaalsContact O-SG 3.37Å; A494-C496 PolarHBondContact O-N 3.4Å; C496-L530 HydrophobicContact CB-CD1 3.91Å; C496-M543 WeakPolarHBondContact CA-O 3.46Å; C496-M543 WeakPolarHBondContact CB-O 3.43Å
497	A	88.5	Confident	76.7	Confident	12 Å²	12	64.6 Å²	64.6	10%	0.099	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.2	170.1	0	0	0	0	0	109.2	R483 M543	R483-A497 CarbonylContact O-C 3.56Å; R483-A497 WeakPolarHBondContact O-CA 3.4Å; A497-M543 PolarHBondContact N-O 3.34Å; A497-M543 PolarHBondContact O-N 3.12Å
498	V	91.1	Very high	77.4	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.3	179.6	-167.4	0	0	0	0	109.4	F470 I482 R483 A485 I500 I540 L541 F542	F470-V498 HydrophobicContact CE1-CB 4Å; F470-V498 HydrophobicContact CE1-CG1 3.72Å; F470-V498 HydrophobicContact CE1-CG2 4.16Å; F470-V498 HydrophobicContact CZ-CG1 4.18Å; I482-V498 CarbonylContact C-O 3.51Å; I482-V498 VanDerWaalsContact CA-O 3.28Å; I482-V498 WeakPolarHBondContact CA-O 3.45Å; R483-V498 PolarHBondContact N-O 3.01Å; R483-V498 PolarHBondContact O-N 3.48Å; A485-V498 HydrophobicContact CB-CG2 3.33Å; V498-I500 HydrophobicContact CG1-CG1 4.15Å; V498-I540 HydrophobicContact CG1-CG2 3.44Å; V498-I540 VanDerWaalsContact CG1-CG2 3.44Å; V498-L541 WeakPolarHBondContact CA-O 3.46Å; V498-F542 HydrophobicContact CB-CD1 4.44Å; V498-F542 HydrophobicContact CB-CE1 4.39Å; V498-F542 HydrophobicContact CG1-CD1 4.33Å; V498-F542 HydrophobicContact CG1-CD2 4.41Å; V498-F542 HydrophobicContact CG1-CE1 4.16Å; V498-F542 HydrophobicContact CG1-CE2 4.27Å; V498-F542 HydrophobicContact CG1-CG 4.43Å; V498-F542 HydrophobicContact CG1-CZ 4.13Å; V498-F542 HydrophobicContact CG2-CD1 3.38Å; V498-F542 HydrophobicContact CG2-CE1 3.31Å; V498-F542 HydrophobicContact CG2-CG 4.16Å; V498-F542 HydrophobicContact CG2-CZ 4.08Å
499	K	93.3	Very high	78.3	Confident	15 Å²	15	72.3 Å²	72.3	7%	0.065	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.1	171.3	-174.5	176.1	-175.3	-178	0	108.6	C480 E514 I540 L541 M543 D608	C480-K499 HydrophobicContact CB-CG 4.25Å; K499-E514 IonicContact NZ-OE1 3.89Å; K499-E514 PolarHBondContact NZ-OE1 2.63Å; K499-E514 IonicContact NZ-OE2 2.64Å; K499-E514 PolarHBondContact NZ-OE2 3.47Å; K499-I540 WeakPolarHBondContact O-CA 3.35Å; K499-L541 HydrophobicContact CB-CB 4.48Å; K499-L541 PolarHBondContact N-O 3.48Å; K499-L541 PolarHBondContact O-N 2.85Å; K499-M543 HydrophobicContact CB-CE 3.7Å; K499-D608 IonicContact NZ-OD1 3.23Å; K499-D608 PolarHBondContact NZ-OD1 2.8Å
500	I	93.8	Very high	79.3	Confident	25 Å²	25	72.8 Å²	72.8	13%	0.128	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112.4	178.2	-52.8	171.4	0	0	0	107.5	F470 C480 S481 R483 V498 N538 I540	F470-I500 HydrophobicContact CD1-CD1 4.41Å; F470-I500 HydrophobicContact CE1-CD1 3.85Å; F470-I500 HydrophobicContact CE1-CG1 4.41Å; C480-I500 CarbonylContact C-O 3.31Å; C480-I500 VanDerWaalsContact CA-O 3.25Å; C480-I500 WeakPolarHBondContact CA-O 3.48Å; C480-I500 WeakPolarHBondContact CB-O 3.41Å; S481-I500 PolarHBondContact N-O 3.38Å; S481-I500 PolarHBondContact O-N 3.27Å; R483-I500 HydrophobicContact CG-CD1 4.49Å; V498-I500 HydrophobicContact CG1-CG1 4.15Å; I500-N538 HydrophobicContact CG2-CB 3.98Å; I500-I540 HydrophobicContact CG2-CG1 4.31Å
501	T	93.9	Very high	80.7	Confident	11 Å²	11	68.2 Å²	68.2	7%	0.067	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	109.6	180	-58.1	0	0	0	0	109.4	L503 A511 N538 L539	T501-L503 PolarHBondContact O-N 2.85Å; T501-A511 HydrophobicContact CG2-CB 3.95Å; T501-N538 WeakPolarHBondContact O-CA 3.38Å; T501-L539 PolarHBondContact N-O 2.63Å; T501-L539 PolarHBondContact O-N 2.99Å
502	P	92.6	Very high	82.7	Confident	70 Å²	70	62.4 Å²	62.4	46%	0.455	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	130.5	170.3	-22.8	34.1	0	0	0	111	F479 S507 N538	F479-P502 WeakPolarHBondContact O-CD 3.32Å; P502-S507 PolarHBondContact O-OG 2.79Å; P502-N538 WeakPolarHBondContact CA-OD1 3.43Å
503	L	92.1	Very high	84.7	Confident	38 Å²	38	56.4 Å²	56.4	20%	0.199	30%	0.304	C	S	.	.			trans	-95	126	179.9	-56.3	177.2	0	0	0	109.6	T501 A511 L534 G537 L539	T501-L503 PolarHBondContact O-N 2.85Å; L503-A511 HydrophobicContact CD2-CB 3.55Å; L503-L534 HydrophobicContact CD1-CD2 3.43Å; L503-L534 VanDerWaalsContact CD1-CD2 3.43Å; L503-G537 VanDerWaalsContact CB-O 3.26Å; L503-G537 WeakPolarHBondContact CB-O 3.39Å; L503-G537 PolarHBondContact N-O 2.95Å; L503-L539 HydrophobicContact CD1-CB 4.12Å; L503-L539 HydrophobicContact CD2-CB 3.82Å; L503-L539 HydrophobicContact CG-CB 4.14Å
504	N	89.5	Confident	86.9	Confident	92 Å²	92	54.4 Å²	54.4	49%	0.492	29%	0.289	S	S	.	.			trans	-124.5	168.7	163.6	62.5	49.8	0	0	0	108.7	A506 S507 K508	N504-A506 PolarHBondContact O-N 3.4Å; N504-A506 WeakPolarHBondContact OD1-CA 3.35Å; N504-A506 WeakPolarHBondContact OD1-CB 3.34Å; N504-A506 PolarHBondContact OD1-N 2.94Å; N504-S507 PolarHBondContact N-OG 3.26Å; N504-S507 PolarHBondContact O-N 3.47Å; N504-S507 VanDerWaalsContact O-N 3.1Å; N504-S507 PolarHBondContact O-OG 3.36Å; N504-S507 WeakPolarHBondContact OD1-CB 3.23Å; N504-S507 PolarHBondContact OD1-N 2.89Å; N504-S507 PolarHBondContact OD1-OG 3.24Å; N504-K508 VanDerWaalsContact O-CB 3.3Å; N504-K508 WeakPolarHBondContact O-CB 3.41Å; N504-K508 PolarHBondContact O-N 2.91Å
505	E	85.5	Confident	88.4	Confident	177 Å²	177	52.9 Å²	52.9	83%	0.827	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.8	-177.4	-67.6	-57.6	131.2	0	0	113.2
506	A	82.3	Confident	89.5	Confident	91 Å²	91	52.8 Å²	52.8	75%	0.752	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-32.7	179	0	0	0	0	0	113.9	N504	N504-A506 PolarHBondContact O-N 3.4Å; N504-A506 WeakPolarHBondContact OD1-CA 3.35Å; N504-A506 WeakPolarHBondContact OD1-CB 3.34Å; N504-A506 PolarHBondContact OD1-N 2.94Å
507	S	83.7	Confident	89.9	Confident	28 Å²	28	52.8 Å²	52.8	20%	0.196	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-20.1	-175.5	69.6	0	0	0	0	113.4	P502 N504 E509 R510 A511	P502-S507 PolarHBondContact O-OG 2.79Å; N504-S507 PolarHBondContact N-OG 3.26Å; N504-S507 PolarHBondContact O-N 3.47Å; N504-S507 VanDerWaalsContact O-N 3.1Å; N504-S507 PolarHBondContact O-OG 3.36Å; N504-S507 WeakPolarHBondContact OD1-CB 3.23Å; N504-S507 PolarHBondContact OD1-N 2.89Å; N504-S507 PolarHBondContact OD1-OG 3.24Å; S507-E509 PolarHBondContact O-N 3.27Å; S507-R510 PolarHBondContact O-N 3.3Å; S507-A511 WeakPolarHBondContact O-CB 3.44Å; S507-A511 PolarHBondContact O-N 2.74Å
508	K	88.4	Confident	90.1	Very high	102 Å²	102	52.5 Å²	52.5	44%	0.443	27%	0.272	S	S	.	.	H	α-helix	trans	-57.2	-48.4	-171.9	-173.5	177.4	-177	177.5	0	112.8	N504 R510 A511 I512	N504-K508 VanDerWaalsContact O-CB 3.3Å; N504-K508 WeakPolarHBondContact O-CB 3.41Å; N504-K508 PolarHBondContact O-N 2.91Å; K508-R510 VanDerWaalsContact C-N 3.34Å; K508-R510 PolarHBondContact O-N 3.41Å; K508-A511 PolarHBondContact O-N 2.85Å; K508-I512 HydrophobicContact CG-CG1 4.33Å; K508-I512 WeakPolarHBondContact O-CB 3.5Å; K508-I512 VanDerWaalsContact O-CG1 3.24Å; K508-I512 WeakPolarHBondContact O-CG1 3.46Å; K508-I512 PolarHBondContact O-N 2.99Å
509	E	86.4	Confident	90.2	Very high	168 Å²	168	55.7 Å²	55.7	79%	0.785	28%	0.284	S	S	*	.	H	α-helix	trans	-60.1	-45	-179.3	-172.7	178.9	-177.7	0	0	111.7	S507 I512 L513	S507-E509 PolarHBondContact O-N 3.27Å; E509-I512 PolarHBondContact O-N 3.14Å; E509-L513 WeakPolarHBondContact O-CB 3.27Å; E509-L513 PolarHBondContact O-N 2.68Å
510	R	84.4	Confident	90	Very high	127 Å²	127	58.4 Å²	58.4	48%	0.479	30%	0.297	S	S	.	.	H	α-helix	trans	-63.1	-44.5	178.5	-163.6	90.2	-173.1	-170.2	11.4	112.1	S507 K508 L513 E514 G610 A611	S507-R510 PolarHBondContact O-N 3.3Å; K508-R510 VanDerWaalsContact C-N 3.34Å; K508-R510 PolarHBondContact O-N 3.41Å; R510-L513 PolarHBondContact O-N 3.37Å; R510-E514 PolarHBondContact O-N 2.73Å; R510-E514 VanDerWaalsContact O-N 3.07Å; R510-G610 PolarHBondContact NE-O 2.96Å; R510-G610 PolarHBondContact NH2-O 3.48Å; R510-A611 VanDerWaalsContact NH2-CA 3.25Å; R510-A611 PolarHBondContact NH2-O 2.87Å
511	A	89	Confident	89.8	Confident	5 Å²	5	57.5 Å²	57.5	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-40	-179.6	0	0	0	0	0	111.7	T501 L503 S507 K508 E514 Y515 L539	T501-A511 HydrophobicContact CG2-CB 3.95Å; L503-A511 HydrophobicContact CD2-CB 3.55Å; S507-A511 WeakPolarHBondContact O-CB 3.44Å; S507-A511 PolarHBondContact O-N 2.74Å; K508-A511 PolarHBondContact O-N 2.85Å; A511-E514 WeakPolarHBondContact O-CB 3.3Å; A511-E514 PolarHBondContact O-N 3.45Å; A511-Y515 PolarHBondContact O-N 3.16Å; A511-L539 HydrophobicContact CB-CD2 3.81Å; A511-L539 WeakPolarHBondContact O-CD2 3.41Å
512	I	92	Very high	89.5	Confident	41 Å²	41	62 Å²	62	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-38.6	175.7	-65.1	-62.1	0	0	0	111.2	L458 K508 E509 E514 Y515 D516	L458-I512 HydrophobicContact CD2-CD1 3.79Å; K508-I512 HydrophobicContact CG-CG1 4.33Å; K508-I512 WeakPolarHBondContact O-CB 3.5Å; K508-I512 VanDerWaalsContact O-CG1 3.24Å; K508-I512 WeakPolarHBondContact O-CG1 3.46Å; K508-I512 PolarHBondContact O-N 2.99Å; E509-I512 PolarHBondContact O-N 3.14Å; I512-E514 VanDerWaalsContact C-N 3.31Å; I512-E514 PolarHBondContact O-N 2.94Å; I512-Y515 WeakPolarHBondContact O-CB 3.25Å; I512-Y515 PolarHBondContact O-N 3.17Å; I512-D516 PolarHBondContact O-N 2.99Å
513	L	89.1	Confident	89.4	Confident	50 Å²	50	59.6 Å²	59.6	26%	0.262	29%	0.294	S	S	.	.	H	α-helix	trans	-58.7	-42.6	173.5	178.1	64.4	0	0	0	111.7	E509 R510 Y515 D516 V517	E509-L513 WeakPolarHBondContact O-CB 3.27Å; E509-L513 PolarHBondContact O-N 2.68Å; R510-L513 PolarHBondContact O-N 3.37Å; L513-Y515 PolarHBondContact O-N 2.95Å; L513-D516 PolarHBondContact O-N 3.47Å; L513-V517 HydrophobicContact CD1-CG2 4.28Å; L513-V517 WeakPolarHBondContact O-CG2 3.4Å; L513-V517 PolarHBondContact O-N 3.43Å
514	E	92.5	Very high	89.4	Confident	9 Å²	9	59.4 Å²	59.4	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-57.3	-48.4	175.4	-179	179	-170.9	0	0	111.3	K499 R510 A511 I512 V517 L518 M609	K499-E514 IonicContact NZ-OE1 3.89Å; K499-E514 PolarHBondContact NZ-OE1 2.63Å; K499-E514 IonicContact NZ-OE2 2.64Å; K499-E514 PolarHBondContact NZ-OE2 3.47Å; R510-E514 PolarHBondContact O-N 2.73Å; R510-E514 VanDerWaalsContact O-N 3.07Å; A511-E514 WeakPolarHBondContact O-CB 3.3Å; A511-E514 PolarHBondContact O-N 3.45Å; I512-E514 VanDerWaalsContact C-N 3.31Å; I512-E514 PolarHBondContact O-N 2.94Å; E514-V517 PolarHBondContact O-N 3.34Å; E514-L518 HydrophobicContact CG-CD1 4.01Å; E514-L518 WeakPolarHBondContact O-CB 3.24Å; E514-L518 WeakPolarHBondContact O-CG 3.33Å; E514-L518 PolarHBondContact O-N 3.43Å; E514-M609 HydrophobicContact CG-CB 4.02Å
515	Y	94.6	Very high	89.6	Confident	8 Å²	8	55.4 Å²	55.4	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-46.1	175.4	154.7	-101.6	0	0	0	112.2	I456 L458 A511 I512 L513 V517 L518 R519 L529 A532 L541	I456-Y515 PolarHBondContact O-OH 3.38Å; L458-Y515 HydrophobicContact CB-CE1 3.8Å; L458-Y515 HydrophobicContact CB-CE2 4.03Å; L458-Y515 WeakPolarHBondContact CB-OH 3.47Å; L458-Y515 HydrophobicContact CD2-CD1 4.28Å; L458-Y515 HydrophobicContact CD2-CE1 4.2Å; L458-Y515 PolarHBondContact N-OH 3.41Å; A511-Y515 PolarHBondContact O-N 3.16Å; I512-Y515 WeakPolarHBondContact O-CB 3.25Å; I512-Y515 PolarHBondContact O-N 3.17Å; L513-Y515 PolarHBondContact O-N 2.95Å; Y515-V517 VanDerWaalsContact C-N 3.3Å; Y515-V517 PolarHBondContact O-N 2.93Å; Y515-L518 PolarHBondContact O-N 2.73Å; Y515-R519 HydrophobicContact CE2-CB 4.26Å; Y515-R519 PolarHBondContact O-N 2.83Å; Y515-R519 PolarHBondContact OH-NH1 3.36Å; Y515-L529 HydrophobicContact CD2-CD2 4Å; Y515-L529 HydrophobicContact CE2-CD2 4.2Å; Y515-A532 HydrophobicContact CD2-CB 3.69Å; Y515-A532 HydrophobicContact CE2-CB 3.68Å; Y515-L541 HydrophobicContact CD2-CD2 4.18Å
516	D	93.2	Very high	90.2	Very high	39 Å²	39	47 Å²	47	21%	0.209	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-36.5	-179.3	-78.1	-30.3	0	0	0	112	I512 L513 R519 E520	I512-D516 PolarHBondContact O-N 2.99Å; L513-D516 PolarHBondContact O-N 3.47Å; D516-R519 WeakPolarHBondContact O-CG 3.41Å; D516-R519 IonicContact OD1-CZ 3.2Å; D516-R519 IonicContact OD1-NE 3.16Å; D516-R519 PolarHBondContact OD1-NE 3.01Å; D516-R519 IonicContact OD1-NH1 2.85Å; D516-R519 PolarHBondContact OD1-NH1 3.31Å; D516-R519 IonicContact OD1-NH2 2.66Å; D516-R519 PolarHBondContact OD1-NH2 2.82Å; D516-E520 WeakPolarHBondContact O-CB 3.2Å; D516-E520 WeakPolarHBondContact O-CG 3.31Å
517	V	92.5	Very high	90.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-67.4	-50.3	173.3	169.3	0	0	0	0	110.4	L513 E514 Y515 R519 E520 V521 I584 M609	L513-V517 HydrophobicContact CD1-CG2 4.28Å; L513-V517 WeakPolarHBondContact O-CG2 3.4Å; L513-V517 PolarHBondContact O-N 3.43Å; E514-V517 PolarHBondContact O-N 3.34Å; Y515-V517 VanDerWaalsContact C-N 3.3Å; Y515-V517 PolarHBondContact O-N 2.93Å; V517-R519 PolarHBondContact O-N 3.38Å; V517-E520 PolarHBondContact O-N 3.4Å; V517-V521 HydrophobicContact CG1-CG2 4.06Å; V517-V521 WeakPolarHBondContact O-CB 3.34Å; V517-V521 WeakPolarHBondContact O-CG2 3.49Å; V517-V521 PolarHBondContact O-N 3.45Å; V517-I584 HydrophobicContact CG1-CD1 4.17Å; V517-I584 HydrophobicContact CG2-CD1 4.34Å; V517-M609 HydrophobicContact CB-CB 4.39Å; V517-M609 HydrophobicContact CG1-CB 3.98Å; V517-M609 HydrophobicContact CG1-CG 3.93Å; V517-M609 HydrophobicContact CG1-SD 4.14Å
518	L	93.4	Very high	91.1	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.031	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-36.6	-176	-76.7	172.8	0	0	0	113.6	E514 Y515 E520 I527 L529 L541 M543 M609	E514-L518 HydrophobicContact CG-CD1 4.01Å; E514-L518 WeakPolarHBondContact O-CB 3.24Å; E514-L518 WeakPolarHBondContact O-CG 3.33Å; E514-L518 PolarHBondContact O-N 3.43Å; Y515-L518 PolarHBondContact O-N 2.73Å; L518-E520 VanDerWaalsContact C-N 3.32Å; L518-I527 HydrophobicContact CD2-CG2 3.68Å; L518-L529 HydrophobicContact CB-CB 4.22Å; L518-L529 HydrophobicContact CB-CD2 4.31Å; L518-L541 HydrophobicContact CD1-CD1 4.1Å; L518-M543 HydrophobicContact CD1-SD 4.45Å; L518-M609 HydrophobicContact CD2-CB 4.34Å; L518-M609 HydrophobicContact CD2-CG 3.58Å; L518-M609 HydrophobicContact CG-CB 4.19Å; L518-M609 HydrophobicContact CG-CG 3.95Å
519	R	92.4	Very high	91.3	Very high	66 Å²	66	40 Å²	40	25%	0.249	19%	0.188	C	C	.	.	H	α-helix	trans	-70.1	-30.8	178.2	79.3	-177.6	-177.3	-168.4	-14.8	112.4	L455 Y515 D516 V517 L529	L455-R519 VanDerWaalsContact CD2-O 3.27Å; L455-R519 WeakPolarHBondContact CD2-O 3.31Å; Y515-R519 HydrophobicContact CE2-CB 4.26Å; Y515-R519 PolarHBondContact O-N 2.83Å; Y515-R519 PolarHBondContact OH-NH1 3.36Å; D516-R519 WeakPolarHBondContact O-CG 3.41Å; D516-R519 IonicContact OD1-CZ 3.2Å; D516-R519 IonicContact OD1-NE 3.16Å; D516-R519 PolarHBondContact OD1-NE 3.01Å; D516-R519 IonicContact OD1-NH1 2.85Å; D516-R519 PolarHBondContact OD1-NH1 3.31Å; D516-R519 IonicContact OD1-NH2 2.66Å; D516-R519 PolarHBondContact OD1-NH2 2.82Å; V517-R519 PolarHBondContact O-N 3.38Å; R519-L529 HydrophobicContact CB-CD2 4.08Å
520	E	89.2	Confident	91.4	Very high	73 Å²	73	33 Å²	33	34%	0.341	16%	0.155	S	C	.	.	H	α-helix	trans	-88.9	-35	-174.9	-74.5	173	-160.8	0	0	112.5	D516 V517 L518 K522 R614	D516-E520 WeakPolarHBondContact O-CB 3.2Å; D516-E520 WeakPolarHBondContact O-CG 3.31Å; V517-E520 PolarHBondContact O-N 3.4Å; L518-E520 VanDerWaalsContact C-N 3.32Å; E520-K522 PolarHBondContact O-N 3.14Å; E520-R614 VanDerWaalsContact CD-NH2 3.32Å; E520-R614 IonicContact OE1-NH2 2.63Å; E520-R614 IonicContact OE2-CZ 3.73Å; E520-R614 VanDerWaalsContact OE2-CZ 3.3Å; E520-R614 IonicContact OE2-NH1 3.79Å; E520-R614 PolarHBondContact OE2-NH1 3.29Å; E520-R614 IonicContact OE2-NH2 3.64Å; E520-R614 PolarHBondContact OE2-NH2 3.03Å
521	V	89.5	Confident	91.6	Very high	5 Å²	5	27 Å²	27	3%	0.03	13%	0.134	C	C	.	.			trans	-90.1	93.3	-176.1	-177.8	0	0	0	0	110	V517 I526 L579 I584	V517-V521 HydrophobicContact CG1-CG2 4.06Å; V517-V521 WeakPolarHBondContact O-CB 3.34Å; V517-V521 WeakPolarHBondContact O-CG2 3.49Å; V517-V521 PolarHBondContact O-N 3.45Å; V521-I526 HydrophobicContact CG1-CD1 3.4Å; V521-I526 HydrophobicContact CG1-CG2 4.37Å; V521-L579 HydrophobicContact CB-CD2 4.46Å; V521-L579 HydrophobicContact CG1-CD2 3.79Å; V521-L579 HydrophobicContact CG2-CD2 4Å; V521-I584 HydrophobicContact CG2-CD1 3.65Å
522	K	86.7	Confident	91.8	Very high	107 Å²	107	26.8 Å²	26.8	47%	0.465	13%	0.132	S	C	.	.			trans	-93.1	118.5	168.4	-61.9	-172.7	-179.6	-173	0	109.4	G454 E520 W578	G454-K522 PolarHBondContact O-NZ 2.82Å; E520-K522 PolarHBondContact O-N 3.14Å; K522-W578 PolarHBondContact O-NE1 2.81Å; K522-W578 VanDerWaalsContact O-NE1 3.12Å
523	H	92.1	Very high	92	Very high	18 Å²	18	25.1 Å²	25.1	8%	0.083	12%	0.123	C	C	.	.			trans	-158.6	148.4	179.6	-173.7	-95.1	0	0	0	111.3	E205 N525 I526 T574 W578	E205-H523 PolarHBondContact O-CD2 3.47Å; H523-N525 VanDerWaalsContact C-N 3.35Å; H523-N525 PolarHBondContact ND1-N 3.19Å; H523-N525 PolarHBondContact O-N 3.3Å; H523-I526 HydrophobicContact CB-CB 4.07Å; H523-I526 HydrophobicContact CB-CD1 3.86Å; H523-I526 HydrophobicContact CB-CG1 4.04Å; H523-I526 PolarHBondContact O-N 3.42Å; H523-T574 WeakPolarHBondContact NE2-CG2 3.4Å; H523-W578 HydrophobicContact CB-CG 4.28Å; H523-W578 AromaticContact CD2-CD1 3.74Å; H523-W578 AromaticContact CD2-CG 3.59Å; H523-W578 AromaticContact CG-CD1 3.8Å
524	E	90.5	Very high	92.2	Very high	34 Å²	34	24.6 Å²	24.6	16%	0.159	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-38.3	-175.4	59.6	-175	129.6	0	0	113.6	R207 R209 K605	R207-E524 PolarHBondContact N-OE1 3.37Å; R209-E524 IonicContact CZ-OE2 3.85Å; R209-E524 IonicContact NE-OE2 2.75Å; R209-E524 PolarHBondContact NE-OE2 3.43Å; R209-E524 IonicContact NH2-OE2 3.93Å; R209-E524 PolarHBondContact NH2-OE2 2.97Å; E524-K605 WeakPolarHBondContact O-CE 3.37Å; E524-K605 PolarHBondContact O-NZ 3.3Å
525	N	95.4	Very high	92.2	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.043	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	21.1	180	-58.5	122.5	0	0	0	114	H523 Q571 A575 I604 K605 L606	H523-N525 VanDerWaalsContact C-N 3.35Å; H523-N525 PolarHBondContact ND1-N 3.19Å; H523-N525 PolarHBondContact O-N 3.3Å; N525-Q571 HydrophobicContact CB-CB 4.42Å; N525-Q571 PolarHBondContact ND2-OE1 3.46Å; N525-A575 HydrophobicContact CB-CB 3.96Å; N525-I604 WeakPolarHBondContact CA-O 3.38Å; N525-I604 HydrophobicContact CB-CD1 4.31Å; N525-I604 PolarHBondContact ND2-O 3.43Å; N525-K605 WeakPolarHBondContact O-CA 3.3Å; N525-L606 PolarHBondContact O-N 2.72Å
526	I	96	Very high	92	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-122.2	144.5	173.1	-66.6	176.9	0	0	0	107.9	V521 H523 S528 A575 L579 K605 M609	V521-I526 HydrophobicContact CG1-CD1 3.4Å; V521-I526 HydrophobicContact CG1-CG2 4.37Å; H523-I526 HydrophobicContact CB-CB 4.07Å; H523-I526 HydrophobicContact CB-CD1 3.86Å; H523-I526 HydrophobicContact CB-CG1 4.04Å; H523-I526 PolarHBondContact O-N 3.42Å; I526-S528 PolarHBondContact O-N 3.38Å; I526-A575 HydrophobicContact CD1-CB 4.4Å; I526-A575 HydrophobicContact CG1-CB 4.05Å; I526-L579 HydrophobicContact CD1-CD1 3.96Å; I526-L579 HydrophobicContact CD1-CD2 3.89Å; I526-L579 HydrophobicContact CD1-CG 3.72Å; I526-K605 PolarHBondContact O-NZ 3.1Å; I526-M609 HydrophobicContact CB-CE 4.33Å; I526-M609 HydrophobicContact CD1-CE 4.16Å; I526-M609 HydrophobicContact CG1-CE 4.17Å; I526-M609 HydrophobicContact CG2-CE 3.34Å
527	I	95	Very high	91.9	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.046	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-61.2	133.6	178.7	-165.5	168.6	0	0	0	111.4	L518 M543 E544 L546 L606 I607	L518-I527 HydrophobicContact CD2-CG2 3.68Å; I527-M543 HydrophobicContact CD1-CB 3.82Å; I527-M543 HydrophobicContact CD1-CE 4.15Å; I527-M543 HydrophobicContact CD1-CG 4.32Å; I527-M543 HydrophobicContact CD1-SD 3.77Å; I527-M543 HydrophobicContact CG1-CB 4.12Å; I527-M543 HydrophobicContact CG1-SD 4.4Å; I527-M543 HydrophobicContact CG2-SD 4.46Å; I527-E544 HydrophobicContact CG1-CG 3.93Å; I527-L546 HydrophobicContact CD1-CD1 4Å; I527-L546 HydrophobicContact CG1-CD1 4.25Å; I527-L606 PolarHBondContact N-O 3.14Å; I527-I607 HydrophobicContact CB-CG2 4.15Å; I527-I607 HydrophobicContact CD1-CB 4.43Å; I527-I607 HydrophobicContact CD1-CG2 3.9Å
528	S	91.6	Very high	92	Very high	48 Å²	48	35 Å²	35	34%	0.336	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-87.3	122.5	-178.4	-45.6	0	0	0	0	109.8	I526 M543 E544 K605	I526-S528 PolarHBondContact O-N 3.38Å; S528-M543 WeakPolarHBondContact O-CA 3.46Å; S528-E544 WeakPolarHBondContact CB-OE1 3.49Å; S528-E544 PolarHBondContact N-OE1 3.17Å; S528-E544 PolarHBondContact O-N 3.4Å; S528-E544 PolarHBondContact OG-OE1 3.31Å; S528-K605 PolarHBondContact OG-NZ 3.39Å
529	L	92.3	Very high	92.1	Very high	15 Å²	15	34.7 Å²	34.7	8%	0.079	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	137.9	164.9	-174.5	67.9	0	0	0	109.1	I456 Y515 L518 R519 A532 L541 M543	I456-L529 HydrophobicContact CB-CD2 4.21Å; I456-L529 VanDerWaalsContact CD1-C 3.42Å; I456-L529 HydrophobicContact CD1-CB 3.99Å; I456-L529 HydrophobicContact CD1-CD2 4.18Å; I456-L529 HydrophobicContact CD1-CG 3.87Å; I456-L529 WeakPolarHBondContact CD1-O 3.38Å; I456-L529 HydrophobicContact CG2-CD2 4.07Å; I456-L529 HydrophobicContact CG2-CG 4.44Å; Y515-L529 HydrophobicContact CD2-CD2 4Å; Y515-L529 HydrophobicContact CE2-CD2 4.2Å; L518-L529 HydrophobicContact CB-CB 4.22Å; L518-L529 HydrophobicContact CB-CD2 4.31Å; R519-L529 HydrophobicContact CB-CD2 4.08Å; L529-A532 HydrophobicContact CD2-CB 4.47Å; L529-L541 HydrophobicContact CD1-CB 3.96Å; L529-L541 HydrophobicContact CD1-CD2 4.09Å; L529-L541 HydrophobicContact CD1-CG 4.47Å; L529-M543 HydrophobicContact CD1-CG 4.43Å
530	L	88	Confident	92.2	Very high	21 Å²	21	31.8 Å²	31.8	11%	0.11	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-42.2	-178.2	-58	-171.5	0	0	0	112.1	R490 C496 F542	R490-L530 VanDerWaalsContact NH2-CB 3.35Å; R490-L530 PolarHBondContact NH2-O 3.31Å; C496-L530 HydrophobicContact CB-CD1 3.91Å; L530-F542 HydrophobicContact CB-CB 4.21Å; L530-F542 WeakPolarHBondContact CB-O 3.39Å; L530-F542 PolarHBondContact N-O 3.35Å
531	S	89.4	Confident	92.4	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	159.1	174.8	57.5	0	0	0	0	109.9	F468 F533 F542	F468-S531 WeakPolarHBondContact CZ-OG 3.46Å; S531-F533 WeakPolarHBondContact OG-CE2 3.26Å; S531-F542 PolarHBondContact N-O 3.44Å; S531-F542 PolarHBondContact O-N 3.49Å; S531-F542 VanDerWaalsContact OG-CB 3.26Å; S531-F542 WeakPolarHBondContact OG-CB 3.29Å; S531-F542 VanDerWaalsContact OG-CD2 3.28Å; S531-F542 WeakPolarHBondContact OG-CD2 3.05Å; S531-F542 WeakPolarHBondContact OG-CG 3.23Å
532	A	93.4	Very high	92.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	134.2	-178	0	0	0	0	0	111.3	I456 L458 H459 Y515 L529 I540 L541	I456-A532 HydrophobicContact CG2-CB 4.4Å; L458-A532 HydrophobicContact CD1-CB 3.77Å; H459-A532 PolarHBondContact N-O 3.45Å; H459-A532 VanDerWaalsContact N-O 3.08Å; Y515-A532 HydrophobicContact CD2-CB 3.69Å; Y515-A532 HydrophobicContact CE2-CB 3.68Å; L529-A532 HydrophobicContact CD2-CB 4.47Å; A532-I540 CarbonylContact C-O 3.53Å; A532-I540 WeakPolarHBondContact CA-O 3.21Å; A532-L541 HydrophobicContact CB-CD2 3.68Å
533	F	94.4	Very high	92.7	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.3	-178.2	-57.2	-85.2	0	0	0	112.3	H459 V461 L464 P465 F468 S531 I540 F542	H459-F533 HydrophobicContact CB-CD1 3.82Å; H459-F533 HydrophobicContact CB-CE1 4.08Å; H459-F533 CarbonylContact O-C 3.54Å; H459-F533 WeakPolarHBondContact O-CA 2.94Å; V461-F533 HydrophobicContact CG1-CD1 4.01Å; V461-F533 HydrophobicContact CG2-CB 4.21Å; V461-F533 HydrophobicContact CG2-CD1 3.96Å; V461-F533 HydrophobicContact CG2-CG 4.43Å; L464-F533 HydrophobicContact CD2-CB 3.96Å; L464-F533 HydrophobicContact CD2-CD2 4.27Å; L464-F533 HydrophobicContact CD2-CG 4.05Å; P465-F533 HydrophobicContact CG-CE1 3.73Å; P465-F533 HydrophobicContact CG-CE2 4.49Å; P465-F533 HydrophobicContact CG-CZ 3.71Å; F468-F533 HydrophobicContact CD2-CE2 4.31Å; F468-F533 AromaticContact CE2-CE2 3.77Å; F468-F533 HydrophobicContact CE2-CE2 3.77Å; F468-F533 AromaticContact CE2-CZ 3.93Å; F468-F533 HydrophobicContact CE2-CZ 3.93Å; S531-F533 WeakPolarHBondContact OG-CE2 3.26Å; F533-I540 HydrophobicContact CB-CB 4.39Å; F533-I540 PolarHBondContact N-O 2.84Å; F533-I540 PolarHBondContact O-N 3.2Å; F533-F542 AromaticContact CD2-CD2 3.86Å; F533-F542 HydrophobicContact CD2-CD2 3.86Å; F533-F542 AromaticContact CD2-CE2 3.66Å; F533-F542 HydrophobicContact CD2-CE2 3.66Å; F533-F542 AromaticContact CE2-CD2 3.82Å; F533-F542 HydrophobicContact CE2-CD2 3.82Å; F533-F542 AromaticContact CE2-CE2 3.75Å; F533-F542 HydrophobicContact CE2-CE2 3.75Å
534	L	94.7	Very high	92.5	Very high	38 Å²	38	24.1 Å²	24.1	20%	0.199	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.5	160.3	-69.9	172	0	0	0	107.9	L458 H459 E460 V461 L503 N538 L539	L458-L534 HydrophobicContact CD1-CG 4Å; L458-L534 HydrophobicContact CD2-CD1 3.72Å; L458-L534 HydrophobicContact CD2-CD2 4.34Å; L458-L534 HydrophobicContact CD2-CG 3.82Å; L458-L534 HydrophobicContact CG-CD1 4.11Å; L458-L534 HydrophobicContact CG-CG 3.92Å; H459-L534 PolarHBondContact O-N 3.36Å; E460-L534 WeakPolarHBondContact CA-O 3Å; E460-L534 HydrophobicContact CB-CB 4.22Å; E460-L534 HydrophobicContact CG-CB 4.16Å; V461-L534 PolarHBondContact N-O 2.98Å; L503-L534 HydrophobicContact CD1-CD2 3.43Å; L503-L534 VanDerWaalsContact CD1-CD2 3.43Å; L534-N538 WeakPolarHBondContact CA-O 3.42Å; L534-L539 HydrophobicContact CD2-CB 4.29Å; L534-L539 HydrophobicContact CD2-CD1 3.98Å
535	H	92.4	Very high	92.2	Very high	25 Å²	25	24.5 Å²	24.5	12%	0.116	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	125.8	-178.1	179.5	62.9	0	0	0	110.6	V461 E462 L464 G537 N538 I540	V461-H535 HydrophobicContact CG2-CB 4.14Å; V461-H535 PolarHBondContact O-ND1 3.18Å; E462-H535 PolarHBondContact O-CE1 3.36Å; E462-H535 PolarHBondContact O-ND1 2.89Å; L464-H535 HydrophobicContact CD2-CB 4.12Å; L464-H535 HydrophobicContact CG-CB 4.16Å; H535-G537 VanDerWaalsContact C-N 3.26Å; H535-G537 PolarHBondContact O-N 3.06Å; H535-N538 PolarHBondContact N-O 3.43Å; H535-N538 WeakPolarHBondContact O-CB 3.1Å; H535-N538 PolarHBondContact O-N 2.85Å; H535-N538 PolarHBondContact O-ND2 3.13Å; H535-I540 HydrophobicContact CB-CD1 4.03Å
536	E	90.5	Very high	91.8	Very high	161 Å²	161	25.1 Å²	25.1	75%	0.752	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	41.6	178.3	-64.7	-177.8	169.3	0	0	113.8	N538	E536-N538 PolarHBondContact O-N 3.43Å; E536-N538 PolarHBondContact O-ND2 3.21Å; E536-N538 VanDerWaalsContact O-ND2 3.15Å
537	G	90.5	Very high	91.2	Very high	50 Å²	50	27 Å²	27	52%	0.515	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	11.1	-178.4	0	0	0	0	0	114.7	L503 H535	L503-G537 VanDerWaalsContact CB-O 3.26Å; L503-G537 WeakPolarHBondContact CB-O 3.39Å; L503-G537 PolarHBondContact N-O 2.95Å; H535-G537 VanDerWaalsContact C-N 3.26Å; H535-G537 PolarHBondContact O-N 3.06Å
538	N	94.4	Very high	90.8	Very high	39 Å²	39	28.8 Å²	28.8	21%	0.209	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.9	174.6	-55.5	-75.3	0	0	0	110.9	I500 T501 P502 L534 H535 E536 I540	I500-N538 HydrophobicContact CG2-CB 3.98Å; T501-N538 WeakPolarHBondContact O-CA 3.38Å; P502-N538 WeakPolarHBondContact CA-OD1 3.43Å; L534-N538 WeakPolarHBondContact CA-O 3.42Å; H535-N538 PolarHBondContact N-O 3.43Å; H535-N538 WeakPolarHBondContact O-CB 3.1Å; H535-N538 PolarHBondContact O-N 2.85Å; H535-N538 PolarHBondContact O-ND2 3.13Å; E536-N538 PolarHBondContact O-N 3.43Å; E536-N538 PolarHBondContact O-ND2 3.21Å; E536-N538 VanDerWaalsContact O-ND2 3.15Å; N538-I540 HydrophobicContact CB-CD1 4.46Å; N538-I540 HydrophobicContact CB-CG1 4.14Å
539	L	95.4	Very high	90.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.9	161.2	178	66.8	0	0	0	108.7	L458 T501 L503 A511 L534 L541	L458-L539 HydrophobicContact CD1-CD1 3.59Å; L458-L539 HydrophobicContact CD2-CD1 4.4Å; T501-L539 PolarHBondContact N-O 2.63Å; T501-L539 PolarHBondContact O-N 2.99Å; L503-L539 HydrophobicContact CD1-CB 4.12Å; L503-L539 HydrophobicContact CD2-CB 3.82Å; L503-L539 HydrophobicContact CG-CB 4.14Å; A511-L539 HydrophobicContact CB-CD2 3.81Å; A511-L539 WeakPolarHBondContact O-CD2 3.41Å; L534-L539 HydrophobicContact CD2-CB 4.29Å; L534-L539 HydrophobicContact CD2-CD1 3.98Å; L539-L541 HydrophobicContact CD1-CD2 3.91Å; L539-L541 HydrophobicContact CD2-CD1 4.35Å; L539-L541 HydrophobicContact CD2-CD2 4.31Å; L539-L541 HydrophobicContact CD2-CG 4.35Å; L539-L541 HydrophobicContact CG-CD2 4Å; L539-L541 HydrophobicContact CG-CG 4.13Å
540	I	94.6	Very high	90.9	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	112.1	-175.6	-58.2	-177.3	0	0	0	108.3	L464 F470 V498 K499 I500 A532 F533 H535 N538 F542	L464-I540 HydrophobicContact CD1-CD1 3.71Å; L464-I540 HydrophobicContact CD2-CD1 4.03Å; L464-I540 HydrophobicContact CG-CD1 4.36Å; F470-I540 HydrophobicContact CZ-CG2 4.43Å; V498-I540 HydrophobicContact CG1-CG2 3.44Å; V498-I540 VanDerWaalsContact CG1-CG2 3.44Å; K499-I540 WeakPolarHBondContact O-CA 3.35Å; I500-I540 HydrophobicContact CG2-CG1 4.31Å; A532-I540 CarbonylContact C-O 3.53Å; A532-I540 WeakPolarHBondContact CA-O 3.21Å; F533-I540 HydrophobicContact CB-CB 4.39Å; F533-I540 PolarHBondContact N-O 2.84Å; F533-I540 PolarHBondContact O-N 3.2Å; H535-I540 HydrophobicContact CB-CD1 4.03Å; N538-I540 HydrophobicContact CB-CD1 4.46Å; N538-I540 HydrophobicContact CB-CG1 4.14Å; I540-F542 HydrophobicContact CG2-CD2 4.2Å; I540-F542 HydrophobicContact CG2-CE2 3.66Å; I540-F542 HydrophobicContact CG2-CZ 4.29Å
541	L	93.7	Very high	91.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.6	-179.6	-55.6	-178	0	0	0	109.6	V498 K499 Y515 L518 L529 A532 L539	V498-L541 WeakPolarHBondContact CA-O 3.46Å; K499-L541 HydrophobicContact CB-CB 4.48Å; K499-L541 PolarHBondContact N-O 3.48Å; K499-L541 PolarHBondContact O-N 2.85Å; Y515-L541 HydrophobicContact CD2-CD2 4.18Å; L518-L541 HydrophobicContact CD1-CD1 4.1Å; L529-L541 HydrophobicContact CD1-CB 3.96Å; L529-L541 HydrophobicContact CD1-CD2 4.09Å; L529-L541 HydrophobicContact CD1-CG 4.47Å; A532-L541 HydrophobicContact CB-CD2 3.68Å; L539-L541 HydrophobicContact CD1-CD2 3.91Å; L539-L541 HydrophobicContact CD2-CD1 4.35Å; L539-L541 HydrophobicContact CD2-CD2 4.31Å; L539-L541 HydrophobicContact CD2-CG 4.35Å; L539-L541 HydrophobicContact CG-CD2 4Å; L539-L541 HydrophobicContact CG-CG 4.13Å
542	F	91.4	Very high	91.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.7	170.4	-70.2	-97.6	0	0	0	108.9	F468 F470 A485 V498 L530 S531 F533 I540	F468-F542 HydrophobicContact CB-CE1 3.52Å; F468-F542 HydrophobicContact CB-CZ 3.54Å; F468-F542 AromaticContact CD1-CD1 3.48Å; F468-F542 HydrophobicContact CD1-CD1 3.48Å; F468-F542 VanDerWaalsContact CD1-CD1 3.48Å; F468-F542 AromaticContact CD1-CE1 3.25Å; F468-F542 HydrophobicContact CD1-CE1 3.25Å; F468-F542 HydrophobicContact CD1-CG 4.26Å; F468-F542 AromaticContact CD1-CZ 3.84Å; F468-F542 HydrophobicContact CD1-CZ 3.84Å; F468-F542 HydrophobicContact CD2-CE1 4.05Å; F468-F542 HydrophobicContact CD2-CE2 4.04Å; F468-F542 AromaticContact CD2-CZ 3.74Å; F468-F542 HydrophobicContact CD2-CZ 3.74Å; F468-F542 AromaticContact CE1-CD1 3.71Å; F468-F542 HydrophobicContact CE1-CD1 3.71Å; F468-F542 AromaticContact CE1-CE1 3.94Å; F468-F542 HydrophobicContact CE1-CE1 3.94Å; F468-F542 HydrophobicContact CE1-CG 4.11Å; F468-F542 HydrophobicContact CE1-CZ 4.49Å; F468-F542 HydrophobicContact CE2-CE2 4.36Å; F468-F542 HydrophobicContact CE2-CZ 4.42Å; F468-F542 AromaticContact CG-CD1 3.99Å; F468-F542 HydrophobicContact CG-CD1 3.99Å; F468-F542 AromaticContact CG-CE1 3.32Å; F468-F542 HydrophobicContact CG-CE1 3.32Å; F468-F542 HydrophobicContact CG-CE2 4.15Å; F468-F542 AromaticContact CG-CZ 3.42Å; F468-F542 HydrophobicContact CG-CZ 3.42Å; F468-F542 VanDerWaalsContact CG-CZ 3.42Å; F468-F542 HydrophobicContact CZ-CD1 4.4Å; F468-F542 HydrophobicContact CZ-CG 4.41Å; F470-F542 HydrophobicContact CE2-CZ 4.31Å; F470-F542 AromaticContact CZ-CZ 3.95Å; F470-F542 HydrophobicContact CZ-CZ 3.95Å; A485-F542 HydrophobicContact CB-CE1 4.23Å; V498-F542 HydrophobicContact CB-CD1 4.44Å; V498-F542 HydrophobicContact CB-CE1 4.39Å; V498-F542 HydrophobicContact CG1-CD1 4.33Å; V498-F542 HydrophobicContact CG1-CD2 4.41Å; V498-F542 HydrophobicContact CG1-CE1 4.16Å; V498-F542 HydrophobicContact CG1-CE2 4.27Å; V498-F542 HydrophobicContact CG1-CG 4.43Å; V498-F542 HydrophobicContact CG1-CZ 4.13Å; V498-F542 HydrophobicContact CG2-CD1 3.38Å; V498-F542 HydrophobicContact CG2-CE1 3.31Å; V498-F542 HydrophobicContact CG2-CG 4.16Å; V498-F542 HydrophobicContact CG2-CZ 4.08Å; L530-F542 HydrophobicContact CB-CB 4.21Å; L530-F542 WeakPolarHBondContact CB-O 3.39Å; L530-F542 PolarHBondContact N-O 3.35Å; S531-F542 PolarHBondContact N-O 3.44Å; S531-F542 PolarHBondContact O-N 3.49Å; S531-F542 VanDerWaalsContact OG-CB 3.26Å; S531-F542 WeakPolarHBondContact OG-CB 3.29Å; S531-F542 VanDerWaalsContact OG-CD2 3.28Å; S531-F542 WeakPolarHBondContact OG-CD2 3.05Å; S531-F542 WeakPolarHBondContact OG-CG 3.23Å; F533-F542 AromaticContact CD2-CD2 3.86Å; F533-F542 HydrophobicContact CD2-CD2 3.86Å; F533-F542 AromaticContact CD2-CE2 3.66Å; F533-F542 HydrophobicContact CD2-CE2 3.66Å; F533-F542 AromaticContact CE2-CD2 3.82Å; F533-F542 HydrophobicContact CE2-CD2 3.82Å; F533-F542 AromaticContact CE2-CE2 3.75Å; F533-F542 HydrophobicContact CE2-CE2 3.75Å; I540-F542 HydrophobicContact CG2-CD2 4.2Å; I540-F542 HydrophobicContact CG2-CE2 3.66Å; I540-F542 HydrophobicContact CG2-CZ 4.29Å
543	M	91.2	Very high	91	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.064	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	161.7	-174	-59.8	178.7	-62.2	0	0	110.1	C496 A497 K499 L518 I527 S528 L529	C496-M543 WeakPolarHBondContact CA-O 3.46Å; C496-M543 WeakPolarHBondContact CB-O 3.43Å; A497-M543 PolarHBondContact N-O 3.34Å; A497-M543 PolarHBondContact O-N 3.12Å; K499-M543 HydrophobicContact CB-CE 3.7Å; L518-M543 HydrophobicContact CD1-SD 4.45Å; I527-M543 HydrophobicContact CD1-CB 3.82Å; I527-M543 HydrophobicContact CD1-CE 4.15Å; I527-M543 HydrophobicContact CD1-CG 4.32Å; I527-M543 HydrophobicContact CD1-SD 3.77Å; I527-M543 HydrophobicContact CG1-CB 4.12Å; I527-M543 HydrophobicContact CG1-SD 4.4Å; I527-M543 HydrophobicContact CG2-SD 4.46Å; S528-M543 WeakPolarHBondContact O-CA 3.46Å; L529-M543 HydrophobicContact CD1-CG 4.43Å
544	E	86.9	Confident	90.9	Very high	29 Å²	29	30.8 Å²	30.8	14%	0.136	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	146.7	172.5	66.6	-174.2	118.3	0	0	112	I527 S528 L546 K605	I527-E544 HydrophobicContact CG1-CG 3.93Å; S528-E544 WeakPolarHBondContact CB-OE1 3.49Å; S528-E544 PolarHBondContact N-OE1 3.17Å; S528-E544 PolarHBondContact O-N 3.4Å; S528-E544 PolarHBondContact OG-OE1 3.31Å; E544-L546 HydrophobicContact CG-CD2 3.98Å; E544-L546 HydrophobicContact CG-CG 4.38Å; E544-K605 VanDerWaalsContact CD-CD 3.43Å; E544-K605 VanDerWaalsContact CD-CE 3.46Å; E544-K605 HydrophobicContact CG-CD 4.49Å; E544-K605 WeakPolarHBondContact OE1-CD 3.34Å; E544-K605 WeakPolarHBondContact OE1-CE 3.42Å; E544-K605 IonicContact OE1-NZ 3.32Å; E544-K605 PolarHBondContact OE1-NZ 2.81Å; E544-K605 WeakPolarHBondContact OE2-CD 3.19Å; E544-K605 WeakPolarHBondContact OE2-CE 3.43Å; E544-K605 IonicContact OE2-NZ 2.63Å; E544-K605 PolarHBondContact OE2-NZ 2.89Å
545	K	84.3	Confident	90.7	Very high	43 Å²	43	30 Å²	30	19%	0.187	16%	0.159	C	C	.	.			trans	-79.2	128.8	174.7	-178.8	165.8	178	163.2	0	109.8	L412 N484 H495	L412-K545 HydrophobicContact CD2-CD 3.84Å; N484-K545 WeakPolarHBondContact OD1-CE 3.09Å; N484-K545 PolarHBondContact OD1-NZ 2.72Å; H495-K545 HydrophobicContact CB-CB 4.42Å; H495-K545 HydrophobicContact CB-CD 3.55Å; H495-K545 WeakPolarHBondContact O-CB 3.36Å
546	L	87.2	Confident	90.4	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.11	19%	0.192	C	C	.	.			trans	-113	171.9	175.5	-57.5	179.1	0	0	0	110.6	I527 E544 M595 K605 I607	I527-L546 HydrophobicContact CD1-CD1 4Å; I527-L546 HydrophobicContact CG1-CD1 4.25Å; E544-L546 HydrophobicContact CG-CD2 3.98Å; E544-L546 HydrophobicContact CG-CG 4.38Å; L546-M595 HydrophobicContact CB-CB 4.04Å; L546-M595 HydrophobicContact CB-CE 4.13Å; L546-M595 HydrophobicContact CB-SD 4.47Å; L546-M595 HydrophobicContact CD1-CB 3.9Å; L546-K605 HydrophobicContact CD1-CB 4.02Å; L546-K605 HydrophobicContact CD2-CD 3.84Å; L546-I607 HydrophobicContact CD1-CG2 3.52Å
547	H	83.5	Confident	90.1	Very high	40 Å²	40	33.2 Å²	33.2	19%	0.185	17%	0.17	C	C	.	.			trans	-102.7	-141.2	-176.9	-69.6	-104.9	0	0	0	111.8	L412 M595 F596 Q597 K599	L412-H547 WeakPolarHBondContact CD1-CE1 3.16Å; L412-H547 WeakPolarHBondContact CD1-NE2 3.31Å; H547-M595 WeakPolarHBondContact O-CE 3.49Å; H547-F596 HydrophobicContact CB-CB 4.49Å; H547-F596 WeakPolarHBondContact CB-O 3.12Å; H547-F596 PolarHBondContact N-O 3.48Å; H547-Q597 VanDerWaalsContact CD2-C 3.42Å; H547-Q597 PolarHBondContact CD2-O 2.78Å; H547-Q597 PolarHBondContact NE2-O 3.13Å; H547-K599 WeakPolarHBondContact ND1-CG 3.15Å
548	E	86.1	Confident	89.9	Confident	48 Å²	48	36.1 Å²	36.1	22%	0.224	17%	0.171	C	C	.	.			trans	-72.5	163.3	-176.4	68.3	-95.5	-124.7	0	0	112.9	D552 R553 M595 F596	E548-D552 HydrophobicContact CB-CB 3.8Å; E548-D552 HydrophobicContact CG-CB 4.19Å; E548-R553 HydrophobicContact CG-CB 4.14Å; E548-R553 IonicContact OE1-CZ 3.61Å; E548-R553 IonicContact OE1-NE 2.78Å; E548-R553 IonicContact OE1-NH1 2.79Å; E548-R553 PolarHBondContact OE1-NH1 2.8Å; E548-R553 IonicContact OE1-NH2 2.75Å; E548-R553 PolarHBondContact OE1-NH2 2.86Å; E548-R553 IonicContact OE2-CZ 3.79Å; E548-R553 IonicContact OE2-NH1 3.75Å; E548-R553 IonicContact OE2-NH2 2.67Å; E548-R553 PolarHBondContact OE2-NH2 3.44Å; E548-M595 WeakPolarHBondContact O-CA 3.33Å; E548-F596 HydrophobicContact CG-CD2 4.45Å; E548-F596 PolarHBondContact O-N 3.27Å
549	T	91.7	Very high	89.8	Confident	17 Å²	17	39.8 Å²	39.8	10%	0.104	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-72.8	167.4	174.6	69	0	0	0	0	111.5	L551 D552 R553 V594 M595	T549-L551 VanDerWaalsContact C-N 3.25Å; T549-L551 PolarHBondContact O-N 3.26Å; T549-L551 PolarHBondContact OG1-N 3.13Å; T549-D552 PolarHBondContact N-OD2 3.23Å; T549-D552 PolarHBondContact O-N 2.66Å; T549-D552 PolarHBondContact OG1-N 2.85Å; T549-D552 VanDerWaalsContact OG1-N 3.15Å; T549-D552 PolarHBondContact OG1-OD2 3.37Å; T549-R553 PolarHBondContact O-N 2.96Å; T549-V594 CarbonylContact C-O 3.22Å; T549-V594 WeakPolarHBondContact CA-O 3.36Å; T549-M595 HydrophobicContact CG2-CG 4.36Å
550	I	95	Very high	89.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.9	-41.3	170.7	-164.8	-179.5	0	0	0	111.7	R553 F554 V568 F591 V594 L649 L653	I550-R553 PolarHBondContact O-N 3.06Å; I550-F554 HydrophobicContact CD1-CE2 4.42Å; I550-F554 HydrophobicContact CG1-CD2 3.84Å; I550-F554 HydrophobicContact CG1-CE2 3.81Å; I550-F554 VanDerWaalsContact O-CD2 3.24Å; I550-F554 WeakPolarHBondContact O-CD2 3.41Å; I550-F554 PolarHBondContact O-N 3.05Å; I550-F554 VanDerWaalsContact O-N 3.16Å; I550-V568 HydrophobicContact CD1-CG1 3.57Å; I550-V568 HydrophobicContact CG1-CG1 4.33Å; I550-F591 HydrophobicContact CG2-CB 4.17Å; I550-F591 HydrophobicContact CG2-CD1 3.91Å; I550-F591 WeakPolarHBondContact CG2-O 3.46Å; I550-V594 HydrophobicContact CB-CB 4.02Å; I550-V594 HydrophobicContact CB-CG1 4.04Å; I550-V594 HydrophobicContact CD1-CG1 4.25Å; I550-V594 HydrophobicContact CG2-CB 4.02Å; I550-V594 PolarHBondContact N-O 3.4Å; I550-L649 HydrophobicContact CD1-CD1 4.21Å; I550-L649 HydrophobicContact CD1-CD2 4.04Å; I550-L649 HydrophobicContact CD1-CG 4.47Å; I550-L653 HydrophobicContact CD1-CD1 3.59Å; I550-L653 HydrophobicContact CG1-CD1 4.26Å
551	L	91.5	Very high	89.8	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.037	19%	0.186	C	C	.	.	H	α-helix	trans	-70.1	-42.2	-176.9	-169	60.7	0	0	0	111.3	T549 F554 T555 F591 L740 F743 A744 Y747	T549-L551 VanDerWaalsContact C-N 3.25Å; T549-L551 PolarHBondContact O-N 3.26Å; T549-L551 PolarHBondContact OG1-N 3.13Å; L551-F554 PolarHBondContact O-N 2.82Å; L551-T555 HydrophobicContact CD1-CG2 4.17Å; L551-T555 HydrophobicContact CG-CG2 4.37Å; L551-T555 VanDerWaalsContact O-CB 3.31Å; L551-T555 WeakPolarHBondContact O-CB 3.17Å; L551-T555 WeakPolarHBondContact O-CG2 3.39Å; L551-T555 PolarHBondContact O-N 2.87Å; L551-T555 PolarHBondContact O-OG1 2.75Å; L551-F591 HydrophobicContact CB-CB 4.02Å; L551-F591 HydrophobicContact CB-CG 4.43Å; L551-F591 HydrophobicContact CD1-CD1 4.43Å; L551-F591 HydrophobicContact CD2-CB 4.24Å; L551-F591 HydrophobicContact CD2-CG 4.38Å; L551-L740 HydrophobicContact CD1-CD1 3.8Å; L551-L740 HydrophobicContact CD1-CD2 4.46Å; L551-L740 HydrophobicContact CD1-CG 4.02Å; L551-F743 HydrophobicContact CD1-CD1 4.42Å; L551-A744 HydrophobicContact CD1-CB 4.01Å; L551-A744 HydrophobicContact CD2-CB 3.64Å; L551-A744 HydrophobicContact CG-CB 3.72Å; L551-Y747 HydrophobicContact CD2-CD1 4Å
552	D	90.5	Very high	90	Very high	82 Å²	82	40.4 Å²	40.4	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-60.7	-46.9	175.6	-63.9	-40.6	0	0	0	111.4	E548 T549 F554 T555 F556	E548-D552 HydrophobicContact CB-CB 3.8Å; E548-D552 HydrophobicContact CG-CB 4.19Å; T549-D552 PolarHBondContact N-OD2 3.23Å; T549-D552 PolarHBondContact O-N 2.66Å; T549-D552 PolarHBondContact OG1-N 2.85Å; T549-D552 VanDerWaalsContact OG1-N 3.15Å; T549-D552 PolarHBondContact OG1-OD2 3.37Å; D552-F554 PolarHBondContact O-N 2.99Å; D552-T555 WeakPolarHBondContact CA-OG1 3.16Å; D552-T555 PolarHBondContact O-N 3.48Å; D552-T555 PolarHBondContact O-OG1 3.29Å; D552-F556 VanDerWaalsContact O-CB 3.26Å; D552-F556 WeakPolarHBondContact O-CB 3.37Å; D552-F556 PolarHBondContact O-N 3.04Å
553	R	90.4	Very high	90.2	Very high	29 Å²	29	41.3 Å²	41.3	11%	0.109	19%	0.191	C	C	.	.	H	α-helix	trans	-56.2	-49.2	178.7	175.5	73.4	70.1	-158.5	-3.4	111.9	E548 T549 I550 F596 S598 K599 W602	E548-R553 HydrophobicContact CG-CB 4.14Å; E548-R553 IonicContact OE1-CZ 3.61Å; E548-R553 IonicContact OE1-NE 2.78Å; E548-R553 IonicContact OE1-NH1 2.79Å; E548-R553 PolarHBondContact OE1-NH1 2.8Å; E548-R553 IonicContact OE1-NH2 2.75Å; E548-R553 PolarHBondContact OE1-NH2 2.86Å; E548-R553 IonicContact OE2-CZ 3.79Å; E548-R553 IonicContact OE2-NH1 3.75Å; E548-R553 IonicContact OE2-NH2 2.67Å; E548-R553 PolarHBondContact OE2-NH2 3.44Å; T549-R553 PolarHBondContact O-N 2.96Å; I550-R553 PolarHBondContact O-N 3.06Å; R553-F596 HydrophobicContact CB-CD2 3.91Å; R553-F596 HydrophobicContact CB-CE2 3.29Å; R553-F596 HydrophobicContact CB-CZ 3.96Å; R553-F596 HydrophobicContact CG-CD2 4.22Å; R553-F596 HydrophobicContact CG-CE1 4.42Å; R553-F596 HydrophobicContact CG-CE2 3.49Å; R553-F596 VanDerWaalsContact CG-CE2 3.49Å; R553-F596 HydrophobicContact CG-CZ 3.62Å; R553-S598 PolarHBondContact NH2-O 2.94Å; R553-K599 PolarHBondContact NH1-O 2.91Å; R553-K599 PolarHBondContact NH2-O 3.01Å; R553-W602 HydrophobicContact CG-CH2 3.98Å; R553-W602 HydrophobicContact CG-CZ3 4.14Å
554	F	92.8	Very high	90.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-74.5	-33	-176.1	-83.6	-96.8	0	0	0	112.2	I550 L551 D552 Y560 E564 L565 V568 W602 L653 S737 L740	I550-F554 HydrophobicContact CD1-CE2 4.42Å; I550-F554 HydrophobicContact CG1-CD2 3.84Å; I550-F554 HydrophobicContact CG1-CE2 3.81Å; I550-F554 VanDerWaalsContact O-CD2 3.24Å; I550-F554 WeakPolarHBondContact O-CD2 3.41Å; I550-F554 PolarHBondContact O-N 3.05Å; I550-F554 VanDerWaalsContact O-N 3.16Å; L551-F554 PolarHBondContact O-N 2.82Å; D552-F554 PolarHBondContact O-N 2.99Å; F554-Y560 AromaticContact CD1-CD1 3.95Å; F554-Y560 HydrophobicContact CD1-CD1 3.95Å; F554-Y560 AromaticContact CD1-CD2 3.47Å; F554-Y560 HydrophobicContact CD1-CD2 3.47Å; F554-Y560 VanDerWaalsContact CD1-CD2 3.47Å; F554-Y560 HydrophobicContact CD1-CE1 4.45Å; F554-Y560 HydrophobicContact CD1-CE2 4.02Å; F554-Y560 AromaticContact CD1-CG 3.44Å; F554-Y560 HydrophobicContact CD1-CG 3.44Å; F554-Y560 VanDerWaalsContact CD1-CG 3.44Å; F554-Y560 AromaticContact CE1-CD2 3.59Å; F554-Y560 HydrophobicContact CE1-CD2 3.59Å; F554-Y560 HydrophobicContact CE1-CE2 4.29Å; F554-Y560 AromaticContact CE1-CG 3.9Å; F554-Y560 HydrophobicContact CE1-CG 3.9Å; F554-E564 HydrophobicContact CE1-CB 4.46Å; F554-E564 HydrophobicContact CZ-CB 4.43Å; F554-L565 HydrophobicContact CE1-CB 4.31Å; F554-L565 HydrophobicContact CZ-CB 4.22Å; F554-L565 HydrophobicContact CZ-CD1 4.32Å; F554-V568 HydrophobicContact CE2-CG2 4.3Å; F554-W602 HydrophobicContact CD2-CZ3 4.41Å; F554-W602 HydrophobicContact CE1-CZ3 4.47Å; F554-W602 HydrophobicContact CE2-CH2 4.21Å; F554-W602 AromaticContact CE2-CZ3 3.61Å; F554-W602 HydrophobicContact CE2-CZ3 3.61Å; F554-W602 HydrophobicContact CZ-CH2 4.08Å; F554-W602 AromaticContact CZ-CZ3 3.62Å; F554-W602 HydrophobicContact CZ-CZ3 3.62Å; F554-L653 HydrophobicContact CB-CD2 4.32Å; F554-L653 HydrophobicContact CD1-CD2 4.44Å; F554-L653 HydrophobicContact CD2-CD2 4.44Å; F554-L653 HydrophobicContact CG-CD2 4.16Å; F554-S737 PolarHBondContact O-OG 3.05Å; F554-S737 VanDerWaalsContact O-OG 3.1Å; F554-L740 HydrophobicContact CB-CD2 3.59Å
555	T	91.3	Very high	90.9	Very high	20 Å²	20	40.5 Å²	40.5	12%	0.123	19%	0.187	C	C	.	.	H	α-helix	trans	-79.7	-24.6	179.4	56.2	0	0	0	0	113.8	L551 D552 K557 L740 Q741 A744	L551-T555 HydrophobicContact CD1-CG2 4.17Å; L551-T555 HydrophobicContact CG-CG2 4.37Å; L551-T555 VanDerWaalsContact O-CB 3.31Å; L551-T555 WeakPolarHBondContact O-CB 3.17Å; L551-T555 WeakPolarHBondContact O-CG2 3.39Å; L551-T555 PolarHBondContact O-N 2.87Å; L551-T555 PolarHBondContact O-OG1 2.75Å; D552-T555 WeakPolarHBondContact CA-OG1 3.16Å; D552-T555 PolarHBondContact O-N 3.48Å; D552-T555 PolarHBondContact O-OG1 3.29Å; T555-K557 VanDerWaalsContact C-N 3.27Å; T555-K557 PolarHBondContact O-N 2.95Å; T555-L740 HydrophobicContact CG2-CB 4.37Å; T555-L740 HydrophobicContact CG2-CD2 4.14Å; T555-L740 HydrophobicContact CG2-CG 3.82Å; T555-Q741 HydrophobicContact CG2-CG 4.14Å; T555-Q741 PolarHBondContact O-NE2 2.85Å; T555-A744 HydrophobicContact CG2-CB 3.85Å
556	F	86.3	Confident	91.5	Very high	184 Å²	184	38.6 Å²	38.6	81%	0.807	18%	0.179	S	C	*	.	H	α-helix	trans	-67.5	-27.2	176.1	-173.6	-99.9	0	0	0	112.9	D552	D552-F556 VanDerWaalsContact O-CB 3.26Å; D552-F556 WeakPolarHBondContact O-CB 3.37Å; D552-F556 PolarHBondContact O-N 3.04Å
557	K	83.9	Confident	91.9	Very high	70 Å²	70	41.4 Å²	41.4	30%	0.304	19%	0.19	S	C	.	.	S	Bend	trans	-81.2	150.3	178.5	-56.5	-173.6	69.6	144.9	0	110.9	T555 Y559 E564 S737	T555-K557 VanDerWaalsContact C-N 3.27Å; T555-K557 PolarHBondContact O-N 2.95Å; K557-Y559 WeakPolarHBondContact CB-O 3.27Å; K557-Y559 WeakPolarHBondContact CE-O 3.3Å; K557-E564 IonicContact NZ-OE1 2.72Å; K557-E564 PolarHBondContact NZ-OE1 3.13Å; K557-S737 WeakPolarHBondContact O-CB 3.27Å; K557-S737 PolarHBondContact O-OG 3Å
558	E	86.7	Confident	92.6	Very high	111 Å²	111	39.5 Å²	39.5	52%	0.519	18%	0.181	S	C	.	.	S	Bend	trans	-71	-38.3	169.4	-166.2	-177.6	159.5	0	0	111.4	S737	E558-S737 PolarHBondContact O-N 3.27Å; E558-S737 PolarHBondContact O-OG 3.05Å
559	Y	91	Very high	93.2	Very high	116 Å²	116	37.2 Å²	37.2	46%	0.455	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.4	174.8	-55.9	-89.6	0	0	0	110.9	K557 F735	K557-Y559 WeakPolarHBondContact CB-O 3.27Å; K557-Y559 WeakPolarHBondContact CE-O 3.3Å; Y559-F735 WeakPolarHBondContact CA-O 3.39Å; Y559-F735 WeakPolarHBondContact CB-O 3.1Å
560	Y	94.7	Very high	93.4	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	167.5	168	61	-89.6	0	0	0	110.5	F554 E564 L653 R734 F735 S737 L740	F554-Y560 AromaticContact CD1-CD1 3.95Å; F554-Y560 HydrophobicContact CD1-CD1 3.95Å; F554-Y560 AromaticContact CD1-CD2 3.47Å; F554-Y560 HydrophobicContact CD1-CD2 3.47Å; F554-Y560 VanDerWaalsContact CD1-CD2 3.47Å; F554-Y560 HydrophobicContact CD1-CE1 4.45Å; F554-Y560 HydrophobicContact CD1-CE2 4.02Å; F554-Y560 AromaticContact CD1-CG 3.44Å; F554-Y560 HydrophobicContact CD1-CG 3.44Å; F554-Y560 VanDerWaalsContact CD1-CG 3.44Å; F554-Y560 AromaticContact CE1-CD2 3.59Å; F554-Y560 HydrophobicContact CE1-CD2 3.59Å; F554-Y560 HydrophobicContact CE1-CE2 4.29Å; F554-Y560 AromaticContact CE1-CG 3.9Å; F554-Y560 HydrophobicContact CE1-CG 3.9Å; Y560-E564 WeakPolarHBondContact CA-OE2 3.26Å; Y560-E564 WeakPolarHBondContact CB-OE2 3.46Å; Y560-L653 WeakPolarHBondContact CE2-O 3.4Å; Y560-L653 PolarHBondContact OH-O 2.88Å; Y560-R734 CarbonylContact O-C 3.37Å; Y560-R734 WeakPolarHBondContact O-CA 3.37Å; Y560-F735 HydrophobicContact CD2-CB 4.23Å; Y560-F735 AromaticContact CD2-CD2 3.79Å; Y560-F735 HydrophobicContact CD2-CD2 3.79Å; Y560-F735 HydrophobicContact CE1-CB 4.08Å; Y560-F735 HydrophobicContact CE2-CB 3.74Å; Y560-F735 AromaticContact CE2-CD2 3.41Å; Y560-F735 HydrophobicContact CE2-CD2 3.41Å; Y560-F735 VanDerWaalsContact CE2-CD2 3.41Å; Y560-F735 HydrophobicContact CE2-CE2 4.38Å; Y560-F735 AromaticContact CE2-CG 3.98Å; Y560-F735 HydrophobicContact CE2-CG 3.98Å; Y560-F735 PolarHBondContact N-O 3.42Å; Y560-F735 PolarHBondContact O-N 2.79Å; Y560-S737 WeakPolarHBondContact CD1-OG 3.4Å; Y560-L740 HydrophobicContact CE1-CD2 4.05Å
561	T	96.3	Very high	93.5	Very high	17 Å²	17	39.7 Å²	39.7	10%	0.104	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	163.5	-174.5	58.4	0	0	0	0	112.2	E563 E564 L565 E731 I733 R734	T561-E563 PolarHBondContact O-N 3.08Å; T561-E563 PolarHBondContact OG1-N 2.81Å; T561-E564 PolarHBondContact N-OE2 3.03Å; T561-E564 VanDerWaalsContact OG1-CG 3.28Å; T561-E564 WeakPolarHBondContact OG1-CG 3.39Å; T561-E564 PolarHBondContact OG1-N 3.45Å; T561-E564 PolarHBondContact OG1-OE2 3.06Å; T561-E564 VanDerWaalsContact OG1-OE2 3.1Å; T561-L565 PolarHBondContact O-N 2.83Å; T561-E731 WeakPolarHBondContact CG2-O 3.3Å; T561-I733 VanDerWaalsContact CA-O 3.26Å; T561-I733 WeakPolarHBondContact CA-O 3.47Å; T561-I733 WeakPolarHBondContact CB-O 3.39Å; T561-R734 HydrophobicContact CG2-CG 3.78Å
562	E	97.5	Very high	93.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-25.4	168	-73.4	-170.2	-166.4	0	0	112.4	L565 S566 L654 S690 W719 R730 I733 F735	E562-L565 PolarHBondContact O-N 3.39Å; E562-S566 VanDerWaalsContact O-CB 3.31Å; E562-S566 WeakPolarHBondContact O-CB 3.49Å; E562-S566 PolarHBondContact O-N 3.5Å; E562-L654 HydrophobicContact CG-CD2 4.3Å; E562-S690 VanDerWaalsContact CD-OG 3.31Å; E562-S690 WeakPolarHBondContact OE1-CB 3.39Å; E562-S690 PolarHBondContact OE1-N 2.82Å; E562-S690 PolarHBondContact OE1-OG 2.78Å; E562-S690 WeakPolarHBondContact OE2-CB 3.33Å; E562-S690 PolarHBondContact OE2-OG 2.91Å; E562-W719 PolarHBondContact OE2-NE1 3.04Å; E562-R730 HydrophobicContact CB-CB 3.84Å; E562-R730 HydrophobicContact CB-CG 3.91Å; E562-R730 PolarHBondContact N-O 2.9Å; E562-I733 HydrophobicContact CG-CB 4.35Å; E562-I733 HydrophobicContact CG-CG2 4.07Å; E562-I733 PolarHBondContact N-O 2.84Å; E562-F735 HydrophobicContact CG-CE2 3.56Å; E562-F735 HydrophobicContact CG-CZ 3.71Å
563	E	95.8	Very high	94.2	Very high	20 Å²	20	35.5 Å²	35.5	9%	0.093	16%	0.162	C	C	.	.	H	α-helix	trans	-67.3	-46.3	-178.5	172.7	59.8	-168.8	0	0	109.9	T561 L565 S566 K567 R730 E731	T561-E563 PolarHBondContact O-N 3.08Å; T561-E563 PolarHBondContact OG1-N 2.81Å; E563-L565 VanDerWaalsContact C-N 3.35Å; E563-L565 PolarHBondContact O-N 2.74Å; E563-S566 PolarHBondContact O-N 2.63Å; E563-S566 PolarHBondContact O-OG 2.69Å; E563-S566 PolarHBondContact OE2-OG 2.58Å; E563-K567 WeakPolarHBondContact O-CG 3.28Å; E563-K567 PolarHBondContact O-N 3.15Å; E563-K567 VanDerWaalsContact O-N 3.07Å; E563-K567 WeakPolarHBondContact OE1-CE 3.25Å; E563-R730 HydrophobicContact CB-CB 3.84Å; E563-R730 PolarHBondContact N-O 3.46Å; E563-R730 IonicContact OE2-CZ 3.43Å; E563-R730 IonicContact OE2-NE 2.61Å; E563-R730 PolarHBondContact OE2-NE 2.99Å; E563-R730 IonicContact OE2-NH2 3.36Å; E563-R730 PolarHBondContact OE2-NH2 3.27Å; E563-E731 HydrophobicContact CB-CG 3.94Å; E563-E731 HydrophobicContact CG-CG 3.92Å
564	E	95.1	Very high	94.4	Very high	24 Å²	24	34.3 Å²	34.3	11%	0.112	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-45.6	174.7	-71.5	170	147.8	0	0	111.8	F554 K557 Y560 T561 S566 K567 V568 W602	F554-E564 HydrophobicContact CE1-CB 4.46Å; F554-E564 HydrophobicContact CZ-CB 4.43Å; K557-E564 IonicContact NZ-OE1 2.72Å; K557-E564 PolarHBondContact NZ-OE1 3.13Å; Y560-E564 WeakPolarHBondContact CA-OE2 3.26Å; Y560-E564 WeakPolarHBondContact CB-OE2 3.46Å; T561-E564 PolarHBondContact N-OE2 3.03Å; T561-E564 VanDerWaalsContact OG1-CG 3.28Å; T561-E564 WeakPolarHBondContact OG1-CG 3.39Å; T561-E564 PolarHBondContact OG1-N 3.45Å; T561-E564 PolarHBondContact OG1-OE2 3.06Å; T561-E564 VanDerWaalsContact OG1-OE2 3.1Å; E564-S566 PolarHBondContact O-N 2.87Å; E564-K567 PolarHBondContact O-N 3.4Å; E564-V568 PolarHBondContact O-N 2.97Å; E564-W602 HydrophobicContact CB-CD2 4.38Å; E564-W602 HydrophobicContact CB-CE3 4.22Å; E564-W602 HydrophobicContact CB-CH2 3.44Å; E564-W602 VanDerWaalsContact CB-CH2 3.44Å; E564-W602 HydrophobicContact CB-CZ2 3.6Å; E564-W602 HydrophobicContact CB-CZ3 3.77Å; E564-W602 VanDerWaalsContact CD-CZ2 3.46Å; E564-W602 HydrophobicContact CG-CD2 4.43Å; E564-W602 HydrophobicContact CG-CH2 3.73Å; E564-W602 HydrophobicContact CG-CZ2 3.31Å; E564-W602 HydrophobicContact CG-CZ3 4.41Å; E564-W602 WeakPolarHBondContact OE1-CZ2 3.3Å
565	L	97.3	Very high	94.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-43.5	174.3	-179	56.8	0	0	0	112.1	F554 T561 E562 E563 K567 V568 V569 L653 L654 W719	F554-L565 HydrophobicContact CE1-CB 4.31Å; F554-L565 HydrophobicContact CZ-CB 4.22Å; F554-L565 HydrophobicContact CZ-CD1 4.32Å; T561-L565 PolarHBondContact O-N 2.83Å; E562-L565 PolarHBondContact O-N 3.39Å; E563-L565 VanDerWaalsContact C-N 3.35Å; E563-L565 PolarHBondContact O-N 2.74Å; L565-K567 VanDerWaalsContact C-N 3.29Å; L565-K567 PolarHBondContact O-N 3.02Å; L565-V568 PolarHBondContact O-N 3.5Å; L565-V568 VanDerWaalsContact O-N 3.14Å; L565-V569 HydrophobicContact CD1-CG2 3.96Å; L565-V569 HydrophobicContact CG-CG2 4.15Å; L565-V569 WeakPolarHBondContact O-CG2 3.43Å; L565-V569 PolarHBondContact O-N 3.24Å; L565-L653 HydrophobicContact CD1-CB 3.99Å; L565-L653 HydrophobicContact CD1-CD1 3.46Å; L565-L653 VanDerWaalsContact CD1-CD1 3.46Å; L565-L653 HydrophobicContact CD1-CG 4.36Å; L565-L653 HydrophobicContact CD2-CB 4.08Å; L565-L654 HydrophobicContact CD2-CD1 4.46Å; L565-L654 HydrophobicContact CD2-CD2 3.73Å; L565-L654 HydrophobicContact CD2-CG 3.79Å; L565-W719 HydrophobicContact CD2-CH2 3.82Å; L565-W719 HydrophobicContact CD2-CZ2 4.01Å; L565-W719 HydrophobicContact CG-CH2 3.9Å; L565-W719 HydrophobicContact CG-CZ2 4.2Å
566	S	97.5	Very high	94.8	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.028	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-37.4	-179.1	76.3	0	0	0	0	112.5	E562 E563 E564 V568 V569 V570 R730	E562-S566 VanDerWaalsContact O-CB 3.31Å; E562-S566 WeakPolarHBondContact O-CB 3.49Å; E562-S566 PolarHBondContact O-N 3.5Å; E563-S566 PolarHBondContact O-N 2.63Å; E563-S566 PolarHBondContact O-OG 2.69Å; E563-S566 PolarHBondContact OE2-OG 2.58Å; E564-S566 PolarHBondContact O-N 2.87Å; S566-V568 VanDerWaalsContact C-N 3.31Å; S566-V568 PolarHBondContact O-N 3.05Å; S566-V569 PolarHBondContact O-N 3.43Å; S566-V570 VanDerWaalsContact O-CG2 3.31Å; S566-V570 WeakPolarHBondContact O-CG2 3.46Å; S566-V570 PolarHBondContact O-N 3.37Å; S566-R730 PolarHBondContact OG-NE 2.92Å; S566-R730 VanDerWaalsContact OG-NE 3.12Å
567	K	95.4	Very high	95.1	Very high	80 Å²	80	25.6 Å²	25.6	35%	0.348	12%	0.118	S	C	.	.	H	α-helix	trans	-60.3	-41.5	176	-71.1	175.3	-178.7	-177.7	0	111.7	E563 E564 L565 Q571 W602	E563-K567 WeakPolarHBondContact O-CG 3.28Å; E563-K567 PolarHBondContact O-N 3.15Å; E563-K567 VanDerWaalsContact O-N 3.07Å; E563-K567 WeakPolarHBondContact OE1-CE 3.25Å; E564-K567 PolarHBondContact O-N 3.4Å; L565-K567 VanDerWaalsContact C-N 3.29Å; L565-K567 PolarHBondContact O-N 3.02Å; K567-Q571 WeakPolarHBondContact O-CG 3.32Å; K567-Q571 PolarHBondContact O-NE2 3.45Å; K567-W602 HydrophobicContact CB-CB 4.06Å; K567-W602 HydrophobicContact CD-CB 3.91Å; K567-W602 HydrophobicContact CD-CG 3.92Å
568	V	97.4	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-70.2	-46.2	177.3	178.4	0	0	0	0	110.9	I550 F554 E564 L565 S566 V570 Q571 I572 V594 F596 W602 I604	I550-V568 HydrophobicContact CD1-CG1 3.57Å; I550-V568 HydrophobicContact CG1-CG1 4.33Å; F554-V568 HydrophobicContact CE2-CG2 4.3Å; E564-V568 PolarHBondContact O-N 2.97Å; L565-V568 PolarHBondContact O-N 3.5Å; L565-V568 VanDerWaalsContact O-N 3.14Å; S566-V568 VanDerWaalsContact C-N 3.31Å; S566-V568 PolarHBondContact O-N 3.05Å; V568-V570 PolarHBondContact O-N 2.92Å; V568-Q571 PolarHBondContact O-N 3.41Å; V568-Q571 VanDerWaalsContact O-N 3.14Å; V568-I572 HydrophobicContact CG1-CD1 3.85Å; V568-I572 HydrophobicContact CG1-CG1 4.32Å; V568-I572 WeakPolarHBondContact O-CG1 3.46Å; V568-I572 PolarHBondContact O-N 3.17Å; V568-V594 HydrophobicContact CG1-CG1 4.27Å; V568-F596 HydrophobicContact CG2-CE1 4.25Å; V568-F596 HydrophobicContact CG2-CZ 4.06Å; V568-W602 HydrophobicContact CG2-CE3 3.72Å; V568-W602 HydrophobicContact CG2-CZ3 4.07Å; V568-I604 HydrophobicContact CG1-CG1 4.33Å; V568-I604 HydrophobicContact CG1-CG2 4.17Å; V568-I604 HydrophobicContact CG2-CG2 4.15Å
569	V	98.3	Very high	95.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.6	-41.6	-177.6	171.2	0	0	0	0	112.2	L565 S566 Q571 I572 L573 L646 C650 F696 W719 L720	L565-V569 HydrophobicContact CD1-CG2 3.96Å; L565-V569 HydrophobicContact CG-CG2 4.15Å; L565-V569 WeakPolarHBondContact O-CG2 3.43Å; L565-V569 PolarHBondContact O-N 3.24Å; S566-V569 PolarHBondContact O-N 3.43Å; V569-Q571 VanDerWaalsContact C-N 3.27Å; V569-Q571 PolarHBondContact O-N 2.91Å; V569-I572 PolarHBondContact O-N 3.2Å; V569-L573 HydrophobicContact CG1-CD1 4.03Å; V569-L573 HydrophobicContact CG1-CG 4.44Å; V569-L573 WeakPolarHBondContact O-CB 3.37Å; V569-L573 WeakPolarHBondContact O-CG 3.49Å; V569-L573 PolarHBondContact O-N 3.25Å; V569-L646 HydrophobicContact CG1-CD1 4.38Å; V569-L646 HydrophobicContact CG1-CD2 4.47Å; V569-L646 HydrophobicContact CG2-CD1 4.46Å; V569-C650 VanDerWaalsContact CG2-SG 3.59Å; V569-F696 HydrophobicContact CG1-CE1 3.82Å; V569-F696 HydrophobicContact CG1-CE2 4.4Å; V569-F696 HydrophobicContact CG1-CZ 3.53Å; V569-W719 HydrophobicContact CB-CZ3 4.46Å; V569-W719 HydrophobicContact CG1-CZ3 4.16Å; V569-W719 HydrophobicContact CG2-CH2 4.2Å; V569-W719 HydrophobicContact CG2-CZ3 4.17Å; V569-L720 HydrophobicContact CB-CD2 4.42Å; V569-L720 HydrophobicContact CG1-CD1 3.94Å; V569-L720 HydrophobicContact CG1-CD2 4.21Å
570	V	97.2	Very high	95.9	Very high	47 Å²	47	12.2 Å²	12.2	29%	0.285	6%	0.061	S	C	.	.	H	α-helix	trans	-58.4	-41.1	176.1	169.3	0	0	0	0	111.4	S566 V568 T574 L715 L720	S566-V570 VanDerWaalsContact O-CG2 3.31Å; S566-V570 WeakPolarHBondContact O-CG2 3.46Å; S566-V570 PolarHBondContact O-N 3.37Å; V568-V570 PolarHBondContact O-N 2.92Å; V570-T574 WeakPolarHBondContact O-CB 3.48Å; V570-T574 PolarHBondContact O-N 3.46Å; V570-T574 PolarHBondContact O-OG1 3.45Å; V570-L715 HydrophobicContact CG1-CD2 4.26Å; V570-L720 HydrophobicContact CG2-CB 3.93Å; V570-L720 HydrophobicContact CG2-CD1 3.8Å; V570-L720 HydrophobicContact CG2-CD2 4.17Å; V570-L720 HydrophobicContact CG2-CG 4.17Å
571	Q	96.9	Very high	95.6	Very high	22 Å²	22	13.1 Å²	13.1	10%	0.103	7%	0.065	C	C	.	.	H	α-helix	trans	-71.8	-39.4	180	-72.5	174	79	0	0	112.4	N525 K567 V568 V569 T574 A575 W602 N603 I604	N525-Q571 HydrophobicContact CB-CB 4.42Å; N525-Q571 PolarHBondContact ND2-OE1 3.46Å; K567-Q571 WeakPolarHBondContact O-CG 3.32Å; K567-Q571 PolarHBondContact O-NE2 3.45Å; V568-Q571 PolarHBondContact O-N 3.41Å; V568-Q571 VanDerWaalsContact O-N 3.14Å; V569-Q571 VanDerWaalsContact C-N 3.27Å; V569-Q571 PolarHBondContact O-N 2.91Å; Q571-T574 PolarHBondContact O-N 3.44Å; Q571-A575 PolarHBondContact O-N 3.02Å; Q571-W602 PolarHBondContact NE2-O 3.06Å; Q571-N603 VanDerWaalsContact OE1-CA 3.3Å; Q571-I604 HydrophobicContact CB-CD1 3.76Å; Q571-I604 HydrophobicContact CB-CG1 3.62Å; Q571-I604 HydrophobicContact CG-CG1 4.44Å
572	I	98.3	Very high	95.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.2	-48.4	173.1	-63.1	170.5	0	0	0	109.9	V568 V569 T574 A575 L576 V589 V594 I604 L606 L646 L649	V568-I572 HydrophobicContact CG1-CD1 3.85Å; V568-I572 HydrophobicContact CG1-CG1 4.32Å; V568-I572 WeakPolarHBondContact O-CG1 3.46Å; V568-I572 PolarHBondContact O-N 3.17Å; V569-I572 PolarHBondContact O-N 3.2Å; I572-T574 VanDerWaalsContact C-N 3.27Å; I572-T574 PolarHBondContact O-N 3.02Å; I572-A575 PolarHBondContact O-N 3.33Å; I572-L576 HydrophobicContact CG2-CD1 3.86Å; I572-L576 HydrophobicContact CG2-CG 4.16Å; I572-L576 WeakPolarHBondContact O-CB 3.48Å; I572-L576 VanDerWaalsContact O-CG 3.27Å; I572-L576 WeakPolarHBondContact O-CG 3.45Å; I572-L576 PolarHBondContact O-N 3.01Å; I572-V589 HydrophobicContact CG2-CG1 4.22Å; I572-V594 HydrophobicContact CD1-CG1 4.4Å; I572-V594 HydrophobicContact CD1-CG2 4.17Å; I572-I604 HydrophobicContact CG1-CD1 4.06Å; I572-L606 HydrophobicContact CG1-CD2 4.26Å; I572-L646 HydrophobicContact CB-CD1 4.27Å; I572-L646 HydrophobicContact CD1-CD1 4.12Å; I572-L646 HydrophobicContact CG2-CD1 3.94Å; I572-L649 HydrophobicContact CD1-CD1 4.31Å; I572-L649 HydrophobicContact CD1-CD2 4.24Å
573	L	97.4	Very high	94.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.5	-40.2	177.3	-77.5	169	0	0	0	112.4	V569 L576 Q577 I643 L646 F696 T711 L715 L720	V569-L573 HydrophobicContact CG1-CD1 4.03Å; V569-L573 HydrophobicContact CG1-CG 4.44Å; V569-L573 WeakPolarHBondContact O-CB 3.37Å; V569-L573 WeakPolarHBondContact O-CG 3.49Å; V569-L573 PolarHBondContact O-N 3.25Å; L573-L576 PolarHBondContact O-N 3.09Å; L573-Q577 VanDerWaalsContact O-CB 3.31Å; L573-Q577 WeakPolarHBondContact O-CB 3.17Å; L573-Q577 PolarHBondContact O-N 2.96Å; L573-I643 HydrophobicContact CD2-CD1 3.87Å; L573-L646 HydrophobicContact CD2-CD2 3.5Å; L573-L646 VanDerWaalsContact CD2-CD2 3.5Å; L573-L646 HydrophobicContact CG-CD2 3.72Å; L573-F696 HydrophobicContact CD1-CE2 4.12Å; L573-F696 HydrophobicContact CD1-CZ 3.99Å; L573-T711 HydrophobicContact CD2-CG2 4.4Å; L573-L715 HydrophobicContact CB-CD2 3.73Å; L573-L715 HydrophobicContact CB-CG 3.93Å; L573-L715 HydrophobicContact CD1-CD2 4.21Å; L573-L715 HydrophobicContact CD1-CG 4.31Å; L573-L720 HydrophobicContact CD1-CD1 3.53Å
574	T	95.5	Very high	94.7	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.031	8%	0.077	C	C	.	.	H	α-helix	trans	-65	-46.7	178.3	-60.1	0	0	0	0	111.2	R207 H523 V570 Q571 I572 L576 Q577 W578	R207-T574 WeakPolarHBondContact CD-OG1 3.37Å; R207-T574 HydrophobicContact CG-CG2 3.99Å; H523-T574 WeakPolarHBondContact NE2-CG2 3.4Å; V570-T574 WeakPolarHBondContact O-CB 3.48Å; V570-T574 PolarHBondContact O-N 3.46Å; V570-T574 PolarHBondContact O-OG1 3.45Å; Q571-T574 PolarHBondContact O-N 3.44Å; I572-T574 VanDerWaalsContact C-N 3.27Å; I572-T574 PolarHBondContact O-N 3.02Å; T574-L576 PolarHBondContact O-N 2.96Å; T574-Q577 PolarHBondContact O-N 3.34Å; T574-W578 PolarHBondContact O-N 3.26Å; T574-W578 VanDerWaalsContact O-N 3.11Å
575	A	96.6	Very high	94.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.4	-44.5	175	0	0	0	0	0	112.3	N525 I526 Q571 I572 W578 L579 L606	N525-A575 HydrophobicContact CB-CB 3.96Å; I526-A575 HydrophobicContact CD1-CB 4.4Å; I526-A575 HydrophobicContact CG1-CB 4.05Å; Q571-A575 PolarHBondContact O-N 3.02Å; I572-A575 PolarHBondContact O-N 3.33Å; A575-W578 PolarHBondContact O-N 3.18Å; A575-L579 WeakPolarHBondContact O-CG 3.26Å; A575-L579 PolarHBondContact O-N 3.34Å; A575-L606 HydrophobicContact CB-CD1 3.56Å; A575-L606 HydrophobicContact CB-CG 4.04Å
576	L	96	Very high	94.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.9	-44.9	177.6	-70.2	178.8	0	0	0	111.5	I572 L573 T574 W578 L579 H580 Y586 V589 L606 D642 I643 T711	I572-L576 HydrophobicContact CG2-CD1 3.86Å; I572-L576 HydrophobicContact CG2-CG 4.16Å; I572-L576 WeakPolarHBondContact O-CB 3.48Å; I572-L576 VanDerWaalsContact O-CG 3.27Å; I572-L576 WeakPolarHBondContact O-CG 3.45Å; I572-L576 PolarHBondContact O-N 3.01Å; L573-L576 PolarHBondContact O-N 3.09Å; T574-L576 PolarHBondContact O-N 2.96Å; L576-W578 PolarHBondContact O-N 3.5Å; L576-L579 PolarHBondContact O-N 3.24Å; L576-L579 VanDerWaalsContact O-N 3.16Å; L576-H580 WeakPolarHBondContact O-CB 3.26Å; L576-H580 PolarHBondContact O-CD2 2.95Å; L576-H580 VanDerWaalsContact O-CD2 3.24Å; L576-H580 PolarHBondContact O-N 3.44Å; L576-H580 PolarHBondContact O-ND1 3.33Å; L576-Y586 HydrophobicContact CD2-CD1 4.1Å; L576-Y586 HydrophobicContact CD2-CG 4.36Å; L576-V589 HydrophobicContact CD1-CG2 4.23Å; L576-V589 HydrophobicContact CD2-CG2 4.16Å; L576-L606 HydrophobicContact CD2-CD1 4.43Å; L576-D642 HydrophobicContact CD1-CB 3.88Å; L576-D642 HydrophobicContact CD2-CB 3.74Å; L576-D642 HydrophobicContact CG-CB 4.38Å; L576-I643 HydrophobicContact CD1-CD1 4.5Å; L576-T711 HydrophobicContact CB-CG2 3.9Å
577	Q	93.3	Very high	94.1	Very high	21 Å²	21	16 Å²	16	10%	0.098	8%	0.075	C	C	.	.	H	α-helix	trans	-56.2	-42.4	177.3	-175.5	173	62.4	0	0	111.2	I203 L573 T574 F581 T711 E712	I203-Q577 HydrophobicContact CD1-CG 4.18Å; L573-Q577 VanDerWaalsContact O-CB 3.31Å; L573-Q577 WeakPolarHBondContact O-CB 3.17Å; L573-Q577 PolarHBondContact O-N 2.96Å; T574-Q577 PolarHBondContact O-N 3.34Å; Q577-F581 WeakPolarHBondContact O-CB 3.26Å; Q577-F581 PolarHBondContact O-N 3.49Å; Q577-T711 HydrophobicContact CB-CG2 4.29Å; Q577-E712 PolarHBondContact NE2-OE2 2.93Å
578	W	92.9	Very high	93.8	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-66.2	-45.8	176.2	-176.5	-113.8	0	0	0	113.1	I203 E205 I227 K522 H523 T574 A575 L576 H580 F581 K582	I203-W578 HydrophobicContact CD1-CE3 4.17Å; I203-W578 HydrophobicContact CG2-CZ3 4.44Å; E205-W578 HydrophobicContact CB-CE3 4.28Å; E205-W578 HydrophobicContact CB-CH2 3.6Å; E205-W578 HydrophobicContact CB-CZ2 4.3Å; E205-W578 HydrophobicContact CB-CZ3 3.59Å; E205-W578 HydrophobicContact CG-CE3 4.49Å; E205-W578 HydrophobicContact CG-CH2 3.45Å; E205-W578 VanDerWaalsContact CG-CH2 3.45Å; E205-W578 HydrophobicContact CG-CZ2 3.67Å; E205-W578 HydrophobicContact CG-CZ3 3.91Å; E205-W578 WeakPolarHBondContact OE1-CH2 3.38Å; E205-W578 WeakPolarHBondContact OE1-CZ2 3.46Å; I227-W578 HydrophobicContact CD1-CH2 3.58Å; I227-W578 HydrophobicContact CD1-CZ3 3.93Å; K522-W578 PolarHBondContact O-NE1 2.81Å; K522-W578 VanDerWaalsContact O-NE1 3.12Å; H523-W578 HydrophobicContact CB-CG 4.28Å; H523-W578 AromaticContact CD2-CD1 3.74Å; H523-W578 AromaticContact CD2-CG 3.59Å; H523-W578 AromaticContact CG-CD1 3.8Å; T574-W578 PolarHBondContact O-N 3.26Å; T574-W578 VanDerWaalsContact O-N 3.11Å; A575-W578 PolarHBondContact O-N 3.18Å; L576-W578 PolarHBondContact O-N 3.5Å; W578-H580 VanDerWaalsContact C-N 3.34Å; W578-H580 PolarHBondContact O-N 3.33Å; W578-F581 HydrophobicContact CE3-CD1 4.1Å; W578-F581 AromaticContact CZ3-CD1 3.92Å; W578-F581 HydrophobicContact CZ3-CD1 3.92Å; W578-F581 HydrophobicContact CZ3-CE1 4.13Å; W578-F581 WeakPolarHBondContact O-CB 3.39Å; W578-F581 PolarHBondContact O-N 3.32Å; W578-K582 WeakPolarHBondContact O-CG 3.42Å; W578-K582 PolarHBondContact O-N 3.34Å
579	L	93.6	Very high	93.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.9	-44.9	176	-74.1	168.4	0	0	0	111.6	V521 I526 A575 L576 F581 K582 R583 I584 Y586 M609	V521-L579 HydrophobicContact CB-CD2 4.46Å; V521-L579 HydrophobicContact CG1-CD2 3.79Å; V521-L579 HydrophobicContact CG2-CD2 4Å; I526-L579 HydrophobicContact CD1-CD1 3.96Å; I526-L579 HydrophobicContact CD1-CD2 3.89Å; I526-L579 HydrophobicContact CD1-CG 3.72Å; A575-L579 WeakPolarHBondContact O-CG 3.26Å; A575-L579 PolarHBondContact O-N 3.34Å; L576-L579 PolarHBondContact O-N 3.24Å; L576-L579 VanDerWaalsContact O-N 3.16Å; L579-F581 VanDerWaalsContact C-N 3.32Å; L579-F581 PolarHBondContact O-N 3.1Å; L579-K582 CarbonylContact O-C 3.55Å; L579-K582 WeakPolarHBondContact O-CA 3.43Å; L579-K582 WeakPolarHBondContact O-CB 3.37Å; L579-K582 PolarHBondContact O-N 3.38Å; L579-R583 PolarHBondContact O-N 3.36Å; L579-I584 CarbonylContact C-O 3.58Å; L579-I584 HydrophobicContact CB-CB 4.39Å; L579-I584 HydrophobicContact CD2-CB 4.22Å; L579-I584 HydrophobicContact CD2-CD1 4.43Å; L579-I584 HydrophobicContact CD2-CG2 4Å; L579-I584 PolarHBondContact O-N 2.92Å; L579-I584 VanDerWaalsContact O-O 3.11Å; L579-Y586 HydrophobicContact CD1-CD2 4.34Å; L579-Y586 HydrophobicContact CD1-CG 4.2Å; L579-M609 HydrophobicContact CD1-CE 4.39Å; L579-M609 HydrophobicContact CD2-CE 4.48Å
580	H	91.3	Very high	92.9	Very high	13 Å²	13	16.5 Å²	16.5	6%	0.06	8%	0.081	C	C	.	.	H	α-helix	trans	-61.1	-42.3	178.7	-60.6	168.1	0	0	0	111.2	V190 L576 W578 K582 R583 I584 M615 P639 D642 T711	V190-H580 WeakPolarHBondContact CG1-O 3.37Å; V190-H580 WeakPolarHBondContact CG2-O 3.42Å; L576-H580 WeakPolarHBondContact O-CB 3.26Å; L576-H580 PolarHBondContact O-CD2 2.95Å; L576-H580 VanDerWaalsContact O-CD2 3.24Å; L576-H580 PolarHBondContact O-N 3.44Å; L576-H580 PolarHBondContact O-ND1 3.33Å; W578-H580 VanDerWaalsContact C-N 3.34Å; W578-H580 PolarHBondContact O-N 3.33Å; H580-K582 VanDerWaalsContact C-N 3.26Å; H580-K582 PolarHBondContact O-N 3.39Å; H580-R583 PolarHBondContact O-N 2.97Å; H580-I584 PolarHBondContact CD2-O 2.73Å; H580-I584 PolarHBondContact N-O 3.03Å; H580-M615 WeakPolarHBondContact O-CE 3.38Å; H580-P639 HydrophobicContact CB-CB 4.28Å; H580-P639 HydrophobicContact CB-CG 4.43Å; H580-P639 PolarHBondContact CE1-O 3.35Å; H580-P639 VanDerWaalsContact CE1-O 3.24Å; H580-D642 IonicContact CD2-OD2 3.28Å; H580-D642 IonicContact CE1-OD2 2.75Å; H580-D642 IonicContact NE2-OD2 2.75Å; H580-D642 PolarHBondContact NE2-OD2 3Å; H580-T711 WeakPolarHBondContact ND1-CG2 3.27Å
581	F	88.9	Confident	92.6	Very high	20 Å²	20	14.9 Å²	14.9	9%	0.088	7%	0.07	C	C	.	.	H	α-helix	trans	-61.7	-32.8	172.7	174.8	-102.2	0	0	0	113.1	V190 P191 H200 I203 Q577 W578 L579 R583	V190-F581 VanDerWaalsContact CG1-O 3.23Å; V190-F581 WeakPolarHBondContact CG1-O 3.43Å; P191-F581 VanDerWaalsContact CD-CE2 3.45Å; P191-F581 HydrophobicContact CG-CD2 4.28Å; P191-F581 HydrophobicContact CG-CE2 3.54Å; P191-F581 HydrophobicContact CG-CZ 3.88Å; H200-F581 HydrophobicContact CB-CE2 4.44Å; H200-F581 AromaticContact CE1-CE2 3.89Å; H200-F581 AromaticContact CE1-CZ 3.71Å; H200-F581 AromaticContact CG-CE2 3.95Å; H200-F581 AromaticContact ND1-CE2 3.65Å; H200-F581 AromaticContact ND1-CZ 3.96Å; H200-F581 AromaticContact NE2-CZ 3.94Å; I203-F581 HydrophobicContact CB-CD2 4.46Å; I203-F581 HydrophobicContact CD1-CB 3.32Å; I203-F581 HydrophobicContact CD1-CD1 4.05Å; I203-F581 HydrophobicContact CD1-CD2 3.84Å; I203-F581 HydrophobicContact CD1-CG 3.47Å; I203-F581 VanDerWaalsContact CD1-CG 3.47Å; I203-F581 HydrophobicContact CG2-CD1 4.15Å; I203-F581 HydrophobicContact CG2-CD2 3.94Å; I203-F581 HydrophobicContact CG2-CE1 3.95Å; I203-F581 HydrophobicContact CG2-CE2 3.72Å; I203-F581 HydrophobicContact CG2-CG 4.15Å; I203-F581 HydrophobicContact CG2-CZ 3.74Å; Q577-F581 WeakPolarHBondContact O-CB 3.26Å; Q577-F581 PolarHBondContact O-N 3.49Å; W578-F581 HydrophobicContact CE3-CD1 4.1Å; W578-F581 AromaticContact CZ3-CD1 3.92Å; W578-F581 HydrophobicContact CZ3-CD1 3.92Å; W578-F581 HydrophobicContact CZ3-CE1 4.13Å; W578-F581 WeakPolarHBondContact O-CB 3.39Å; W578-F581 PolarHBondContact O-N 3.32Å; L579-F581 VanDerWaalsContact C-N 3.32Å; L579-F581 PolarHBondContact O-N 3.1Å; F581-R583 PolarHBondContact O-N 3.11Å
582	K	89.1	Confident	92.2	Very high	80 Å²	80	16.3 Å²	16.3	35%	0.348	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	11.4	173.2	-65	-64.9	-175.1	177.3	0	113.9	W578 L579 H580 I584	W578-K582 WeakPolarHBondContact O-CG 3.42Å; W578-K582 PolarHBondContact O-N 3.34Å; L579-K582 CarbonylContact O-C 3.55Å; L579-K582 WeakPolarHBondContact O-CA 3.43Å; L579-K582 WeakPolarHBondContact O-CB 3.37Å; L579-K582 PolarHBondContact O-N 3.38Å; H580-K582 VanDerWaalsContact C-N 3.26Å; H580-K582 PolarHBondContact O-N 3.39Å; K582-I584 VanDerWaalsContact C-N 3.3Å; K582-I584 HydrophobicContact CB-CD1 4.09Å; K582-I584 PolarHBondContact O-N 3.2Å
583	R	88.7	Confident	91.9	Very high	26 Å²	26	17.1 Å²	17.1	10%	0.098	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	33.3	-176.4	-61.5	-83.6	179.9	171.6	-11.1	113.1	V190 P191 L579 H580 F581 R614 M615	V190-R583 HydrophobicContact CG1-CG 3.51Å; V190-R583 PolarHBondContact O-NH2 3.07Å; P191-R583 PolarHBondContact O-NE 2.64Å; P191-R583 VanDerWaalsContact O-NE 3.11Å; P191-R583 PolarHBondContact O-NH2 3.3Å; P191-R583 VanDerWaalsContact O-NH2 3.12Å; L579-R583 PolarHBondContact O-N 3.36Å; H580-R583 PolarHBondContact O-N 2.97Å; F581-R583 PolarHBondContact O-N 3.11Å; R583-R614 CarbonylContact O-C 3.36Å; R583-R614 WeakPolarHBondContact O-CA 3.41Å; R583-M615 VanDerWaalsContact CA-CE 3.46Å; R583-M615 HydrophobicContact CB-CB 4.42Å; R583-M615 HydrophobicContact CB-CE 4.37Å; R583-M615 PolarHBondContact O-N 2.97Å
584	I	91.7	Very high	91.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.8	-179.2	-63.5	162.3	0	0	0	109.2	V517 V521 L579 H580 K582 A612 S613 R614	V517-I584 HydrophobicContact CG1-CD1 4.17Å; V517-I584 HydrophobicContact CG2-CD1 4.34Å; V521-I584 HydrophobicContact CG2-CD1 3.65Å; L579-I584 CarbonylContact C-O 3.58Å; L579-I584 HydrophobicContact CB-CB 4.39Å; L579-I584 HydrophobicContact CD2-CB 4.22Å; L579-I584 HydrophobicContact CD2-CD1 4.43Å; L579-I584 HydrophobicContact CD2-CG2 4Å; L579-I584 PolarHBondContact O-N 2.92Å; L579-I584 VanDerWaalsContact O-O 3.11Å; H580-I584 PolarHBondContact CD2-O 2.73Å; H580-I584 PolarHBondContact N-O 3.03Å; K582-I584 VanDerWaalsContact C-N 3.3Å; K582-I584 HydrophobicContact CB-CD1 4.09Å; K582-I584 PolarHBondContact O-N 3.2Å; I584-A612 HydrophobicContact CG2-CB 3.94Å; I584-S613 WeakPolarHBondContact CA-O 3.32Å; I584-R614 HydrophobicContact CG1-CG 4.24Å
585	V	91.4	Very high	91.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.8	165	-67.5	0	0	0	0	108.6	L587 A612 S613 M615 A621 A637 P639	V585-L587 HydrophobicContact CB-CD2 4.13Å; V585-L587 HydrophobicContact CB-CG 4.08Å; V585-L587 HydrophobicContact CG2-CD1 3.79Å; V585-L587 HydrophobicContact CG2-CD2 4.21Å; V585-L587 HydrophobicContact CG2-CG 3.87Å; V585-A612 CarbonylContact O-C 3.59Å; V585-A612 VanDerWaalsContact O-CA 3.25Å; V585-A612 WeakPolarHBondContact O-CA 3.49Å; V585-S613 WeakPolarHBondContact CG2-O 3.47Å; V585-S613 PolarHBondContact N-O 2.94Å; V585-S613 PolarHBondContact O-N 3.04Å; V585-M615 HydrophobicContact CG1-CG 3.92Å; V585-M615 HydrophobicContact CG1-SD 3.82Å; V585-A621 HydrophobicContact CG2-CB 3.73Å; V585-A637 HydrophobicContact CG2-CB 4.05Å; V585-P639 HydrophobicContact CG1-CG 4.08Å
586	Y	93.8	Very high	91.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.			trans	-80.6	-44.4	-172	177.6	-132.6	0	0	0	112.5	L576 L579 N588 V589 N593 L606 I607 M609 A612 D642	L576-Y586 HydrophobicContact CD2-CD1 4.1Å; L576-Y586 HydrophobicContact CD2-CG 4.36Å; L579-Y586 HydrophobicContact CD1-CD2 4.34Å; L579-Y586 HydrophobicContact CD1-CG 4.2Å; Y586-N588 HydrophobicContact CD1-CB 4.29Å; Y586-N588 HydrophobicContact CD2-CB 4.19Å; Y586-N588 HydrophobicContact CE1-CB 3.87Å; Y586-N588 VanDerWaalsContact CE1-O 3.32Å; Y586-N588 WeakPolarHBondContact CE1-O 3.44Å; Y586-N588 HydrophobicContact CE2-CB 3.75Å; Y586-N588 HydrophobicContact CG-CB 4.44Å; Y586-N588 PolarHBondContact O-N 2.71Å; Y586-N588 PolarHBondContact OH-O 3.45Å; Y586-V589 HydrophobicContact CD1-CG2 3.61Å; Y586-V589 HydrophobicContact CE1-CG2 3.99Å; Y586-N593 WeakPolarHBondContact OH-CB 3.18Å; Y586-N593 PolarHBondContact OH-O 2.92Å; Y586-L606 HydrophobicContact CD1-CD1 3.95Å; Y586-L606 HydrophobicContact CE1-CB 4.27Å; Y586-L606 HydrophobicContact CE1-CD1 3.83Å; Y586-L606 HydrophobicContact CE1-CD2 4.16Å; Y586-L606 HydrophobicContact CE1-CG 4.32Å; Y586-I607 WeakPolarHBondContact CE2-O 3.17Å; Y586-I607 PolarHBondContact OH-O 3.35Å; Y586-M609 HydrophobicContact CD2-CE 4.42Å; Y586-M609 HydrophobicContact CD2-SD 3.71Å; Y586-M609 HydrophobicContact CE2-CE 4.28Å; Y586-M609 HydrophobicContact CE2-SD 3.76Å; Y586-A612 PolarHBondContact O-N 3.43Å; Y586-D642 PolarHBondContact N-OD1 3.49Å; Y586-D642 PolarHBondContact N-OD2 3.09Å
587	L	91.3	Very high	91.1	Very high	18 Å²	18	22.7 Å²	22.7	9%	0.094	11%	0.109	C	C	.	.			trans	59.3	3.1	177.3	-53.2	177	0	0	0	116	V585 V623 I631 A637 D642	V585-L587 HydrophobicContact CB-CD2 4.13Å; V585-L587 HydrophobicContact CB-CG 4.08Å; V585-L587 HydrophobicContact CG2-CD1 3.79Å; V585-L587 HydrophobicContact CG2-CD2 4.21Å; V585-L587 HydrophobicContact CG2-CG 3.87Å; L587-V623 HydrophobicContact CD1-CB 4.37Å; L587-V623 HydrophobicContact CD1-CG1 3.72Å; L587-V623 HydrophobicContact CD1-CG2 4.18Å; L587-I631 HydrophobicContact CD2-CD1 4.32Å; L587-A637 HydrophobicContact CD1-CB 3.7Å; L587-A637 HydrophobicContact CD2-CB 3.73Å; L587-A637 HydrophobicContact CG-CB 4.32Å; L587-D642 VanDerWaalsContact CA-OD1 3.3Å; L587-D642 WeakPolarHBondContact CA-OD1 3.16Å; L587-D642 PolarHBondContact N-OD1 2.92Å
588	N	89.5	Confident	90.3	Very high	14 Å²	14	22.9 Å²	22.9	8%	0.075	11%	0.112	C	C	.	.			trans	-119.9	26.7	-172.9	-138.8	5.7	0	0	0	113.6	Y586 L590 N593 D608 A611	Y586-N588 HydrophobicContact CD1-CB 4.29Å; Y586-N588 HydrophobicContact CD2-CB 4.19Å; Y586-N588 HydrophobicContact CE1-CB 3.87Å; Y586-N588 VanDerWaalsContact CE1-O 3.32Å; Y586-N588 WeakPolarHBondContact CE1-O 3.44Å; Y586-N588 HydrophobicContact CE2-CB 3.75Å; Y586-N588 HydrophobicContact CG-CB 4.44Å; Y586-N588 PolarHBondContact O-N 2.71Å; Y586-N588 PolarHBondContact OH-O 3.45Å; N588-L590 PolarHBondContact O-N 3.45Å; N588-L590 WeakPolarHBondContact OD1-CD1 3.19Å; N588-N593 PolarHBondContact ND2-ND2 3.44Å; N588-N593 WeakPolarHBondContact O-CB 3.36Å; N588-N593 PolarHBondContact OD1-ND2 2.74Å; N588-D608 PolarHBondContact ND2-O 2.98Å; N588-D608 PolarHBondContact ND2-OD2 2.64Å; N588-D608 VanDerWaalsContact ND2-OD2 3.13Å; N588-A611 HydrophobicContact CB-CB 3.72Å
589	V	91.8	Very high	89.3	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.024	13%	0.134	C	C	.	.			trans	-69.1	78.2	175	-172.4	0	0	0	0	109.2	I572 L576 Y586 N645 L646 L649	I572-V589 HydrophobicContact CG2-CG1 4.22Å; L576-V589 HydrophobicContact CD1-CG2 4.23Å; L576-V589 HydrophobicContact CD2-CG2 4.16Å; Y586-V589 HydrophobicContact CD1-CG2 3.61Å; Y586-V589 HydrophobicContact CE1-CG2 3.99Å; V589-N645 HydrophobicContact CB-CB 3.8Å; V589-N645 HydrophobicContact CG2-CB 4.41Å; V589-L646 HydrophobicContact CG1-CB 4.41Å; V589-L649 HydrophobicContact CG1-CD1 4.01Å
590	L	86.7	Confident	88	Confident	73 Å²	73	31.2 Å²	31.2	38%	0.382	15%	0.152	S	C	.	.			trans	-122.2	162	-178.7	-62.4	179	0	0	0	109.5	N588 D592 N593	N588-L590 PolarHBondContact O-N 3.45Å; N588-L590 WeakPolarHBondContact OD1-CD1 3.19Å; L590-D592 PolarHBondContact O-N 3.24Å; L590-N593 PolarHBondContact O-N 2.97Å
591	F	90.8	Very high	87.4	Confident	13 Å²	13	31.9 Å²	31.9	6%	0.057	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-60.4	-43.1	-177.7	-61.8	-64.8	0	0	0	113.1	I550 L551 N593 L649 I652 L653 F743 Y747	I550-F591 HydrophobicContact CG2-CB 4.17Å; I550-F591 HydrophobicContact CG2-CD1 3.91Å; I550-F591 WeakPolarHBondContact CG2-O 3.46Å; L551-F591 HydrophobicContact CB-CB 4.02Å; L551-F591 HydrophobicContact CB-CG 4.43Å; L551-F591 HydrophobicContact CD1-CD1 4.43Å; L551-F591 HydrophobicContact CD2-CB 4.24Å; L551-F591 HydrophobicContact CD2-CG 4.38Å; F591-N593 PolarHBondContact O-N 3.38Å; F591-L649 HydrophobicContact CD1-CD1 4.49Å; F591-L649 HydrophobicContact CD1-CG 4.5Å; F591-L649 HydrophobicContact CE1-CD1 4.49Å; F591-L649 HydrophobicContact CE1-CG 4.04Å; F591-I652 HydrophobicContact CE1-CB 4.46Å; F591-I652 HydrophobicContact CE1-CG2 4.2Å; F591-I652 HydrophobicContact CE2-CD1 3.8Å; F591-I652 HydrophobicContact CE2-CG2 4.2Å; F591-I652 HydrophobicContact CZ-CB 3.71Å; F591-I652 HydrophobicContact CZ-CD1 3.6Å; F591-I652 HydrophobicContact CZ-CG1 4.24Å; F591-I652 HydrophobicContact CZ-CG2 3.5Å; F591-L653 HydrophobicContact CE1-CD2 4.49Å; F591-L653 HydrophobicContact CE1-CG 4.29Å; F591-F743 HydrophobicContact CD2-CE1 4.19Å; F591-F743 AromaticContact CE2-CE1 3.69Å; F591-F743 HydrophobicContact CE2-CE1 3.69Å; F591-F743 AromaticContact CE2-CZ 3.91Å; F591-F743 HydrophobicContact CE2-CZ 3.91Å; F591-F743 HydrophobicContact CZ-CE1 4.19Å; F591-Y747 HydrophobicContact CB-CE1 4.49Å; F591-Y747 HydrophobicContact CD2-CE2 4.3Å
592	D	87.2	Confident	87.4	Confident	53 Å²	53	32.8 Å²	32.8	28%	0.283	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-71.2	-17.7	-177.9	-58.9	-28.7	0	0	0	112.6	L590 Y747 M751	L590-D592 PolarHBondContact O-N 3.24Å; D592-Y747 WeakPolarHBondContact OD2-CE1 3.36Å; D592-Y747 PolarHBondContact OD2-OH 3.31Å; D592-M751 WeakPolarHBondContact OD2-CE 3.47Å
593	N	92.8	Very high	87.5	Confident	17 Å²	17	30.1 Å²	30.1	9%	0.091	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-101.9	8.5	-173.9	-63.1	-35.7	0	0	0	114.3	Y586 N588 L590 F591 L606 I607	Y586-N593 WeakPolarHBondContact OH-CB 3.18Å; Y586-N593 PolarHBondContact OH-O 2.92Å; N588-N593 PolarHBondContact ND2-ND2 3.44Å; N588-N593 WeakPolarHBondContact O-CB 3.36Å; N588-N593 PolarHBondContact OD1-ND2 2.74Å; L590-N593 PolarHBondContact O-N 2.97Å; F591-N593 PolarHBondContact O-N 3.38Å; N593-L606 WeakPolarHBondContact O-CA 3.33Å; N593-I607 VanDerWaalsContact CA-CG1 3.43Å; N593-I607 HydrophobicContact CB-CG1 4Å; N593-I607 WeakPolarHBondContact O-CG1 3.37Å; N593-I607 PolarHBondContact O-N 2.89Å
594	V	97	Very high	87.9	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	108.8	170.5	-177.4	0	0	0	0	107.8	T549 I550 V568 I572 I604 L606 L649	T549-V594 CarbonylContact C-O 3.22Å; T549-V594 WeakPolarHBondContact CA-O 3.36Å; I550-V594 HydrophobicContact CB-CB 4.02Å; I550-V594 HydrophobicContact CB-CG1 4.04Å; I550-V594 HydrophobicContact CD1-CG1 4.25Å; I550-V594 HydrophobicContact CG2-CB 4.02Å; I550-V594 PolarHBondContact N-O 3.4Å; V568-V594 HydrophobicContact CG1-CG1 4.27Å; I572-V594 HydrophobicContact CD1-CG1 4.4Å; I572-V594 HydrophobicContact CD1-CG2 4.17Å; V594-I604 HydrophobicContact CG1-CB 4.03Å; V594-I604 HydrophobicContact CG1-CD1 4.24Å; V594-I604 HydrophobicContact CG1-CG1 4.29Å; V594-I604 HydrophobicContact CG1-CG2 4.19Å; V594-L606 HydrophobicContact CG2-CD2 3.8Å; V594-L649 HydrophobicContact CG2-CD1 4.29Å
595	M	94.5	Very high	88.1	Confident	40 Å²	40	29.3 Å²	29.3	20%	0.197	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.6	-176.7	-65.2	-179.7	76.6	0	0	111.7	L546 H547 E548 T549 I604 K605 I607	L546-M595 HydrophobicContact CB-CB 4.04Å; L546-M595 HydrophobicContact CB-CE 4.13Å; L546-M595 HydrophobicContact CB-SD 4.47Å; L546-M595 HydrophobicContact CD1-CB 3.9Å; H547-M595 WeakPolarHBondContact O-CE 3.49Å; E548-M595 WeakPolarHBondContact O-CA 3.33Å; T549-M595 HydrophobicContact CG2-CG 4.36Å; M595-I604 CarbonylContact O-C 3.53Å; M595-I604 VanDerWaalsContact O-CA 3.26Å; M595-I604 WeakPolarHBondContact O-CA 3.21Å; M595-K605 PolarHBondContact N-O 3.39Å; M595-K605 VanDerWaalsContact N-O 3.08Å; M595-K605 PolarHBondContact O-N 2.82Å; M595-I607 HydrophobicContact CB-CG2 4.4Å; M595-I607 HydrophobicContact CG-CD1 4.25Å; M595-I607 HydrophobicContact CG-CG1 4.49Å; M595-I607 HydrophobicContact CG-CG2 4.37Å; M595-I607 HydrophobicContact SD-CD1 3.54Å; M595-I607 VanDerWaalsContact SD-CD1 3.54Å; M595-I607 HydrophobicContact SD-CG1 4.28Å; M595-I607 HydrophobicContact SD-CG2 4.14Å
596	F	91.3	Very high	88.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	144.1	178.8	-71.7	-89.7	0	0	0	112.5	H547 E548 R553 V568 S598 E601 W602 N603 I604	H547-F596 HydrophobicContact CB-CB 4.49Å; H547-F596 WeakPolarHBondContact CB-O 3.12Å; H547-F596 PolarHBondContact N-O 3.48Å; E548-F596 HydrophobicContact CG-CD2 4.45Å; E548-F596 PolarHBondContact O-N 3.27Å; R553-F596 HydrophobicContact CB-CD2 3.91Å; R553-F596 HydrophobicContact CB-CE2 3.29Å; R553-F596 HydrophobicContact CB-CZ 3.96Å; R553-F596 HydrophobicContact CG-CD2 4.22Å; R553-F596 HydrophobicContact CG-CE1 4.42Å; R553-F596 HydrophobicContact CG-CE2 3.49Å; R553-F596 VanDerWaalsContact CG-CE2 3.49Å; R553-F596 HydrophobicContact CG-CZ 3.62Å; V568-F596 HydrophobicContact CG2-CE1 4.25Å; V568-F596 HydrophobicContact CG2-CZ 4.06Å; F596-S598 VanDerWaalsContact C-N 3.35Å; F596-E601 WeakPolarHBondContact CD1-O 3.42Å; F596-W602 HydrophobicContact CE1-CD2 4.44Å; F596-W602 AromaticContact CE1-CE3 3.8Å; F596-W602 HydrophobicContact CE1-CE3 3.8Å; F596-W602 HydrophobicContact CE1-CZ3 4.27Å; F596-W602 AromaticContact CZ-CE3 3.98Å; F596-W602 HydrophobicContact CZ-CE3 3.98Å; F596-W602 HydrophobicContact CZ-CZ3 4Å; F596-N603 WeakPolarHBondContact CA-O 3.31Å; F596-I604 HydrophobicContact CD1-CG2 3.65Å; F596-I604 HydrophobicContact CE1-CG2 3.45Å; F596-I604 VanDerWaalsContact CE1-CG2 3.45Å; F596-I604 HydrophobicContact CE2-CG2 4.38Å; F596-I604 HydrophobicContact CG-CG2 4.2Å; F596-I604 HydrophobicContact CZ-CG2 3.84Å
597	Q	85	Confident	88.4	Confident	82 Å²	82	30.3 Å²	30.3	38%	0.383	15%	0.15	S	C	.	.	S	Bend	trans	-77.3	-22.2	173.8	-172.3	178.7	-5	0	0	112.7	H547 N603	H547-Q597 VanDerWaalsContact CD2-C 3.42Å; H547-Q597 PolarHBondContact CD2-O 2.78Å; H547-Q597 PolarHBondContact NE2-O 3.13Å; Q597-N603 HydrophobicContact CB-CB 4.37Å; Q597-N603 PolarHBondContact N-O 3.16Å
598	S	77.3	Confident	88.3	Confident	24 Å²	24	31.9 Å²	31.9	17%	0.168	16%	0.158	C	C	.	.			trans	-146.5	155.2	-177.9	167	0	0	0	0	110.5	R553 F596 N600	R553-S598 PolarHBondContact NH2-O 2.94Å; F596-S598 VanDerWaalsContact C-N 3.35Å; S598-N600 VanDerWaalsContact C-N 3.27Å; S598-N600 PolarHBondContact O-N 3.29Å; S598-N600 PolarHBondContact OG-N 3.27Å; S598-N600 VanDerWaalsContact OG-N 3.16Å
599	K	71.4	Confident	88.4	Confident	106 Å²	106	31.3 Å²	31.3	46%	0.461	16%	0.155	S	C	.	.	S	Bend	trans	-69.6	-22.4	172.5	-63.5	-164.9	178.8	179.2	0	113.6	H547 R553	H547-K599 WeakPolarHBondContact ND1-CG 3.15Å; R553-K599 PolarHBondContact NH1-O 2.91Å; R553-K599 PolarHBondContact NH2-O 3.01Å
600	N	67.2	Low	88.2	Confident	71 Å²	71	31.9 Å²	31.9	38%	0.38	16%	0.162	S	C	.	.	S	Bend	trans	-112.6	-13.4	-169.1	-56.1	-46.9	0	0	0	112.8	S319 L329 S598	S319-N600 VanDerWaalsContact OG-CG 3.31Å; S319-N600 PolarHBondContact OG-ND2 3.24Å; S319-N600 PolarHBondContact OG-OD1 2.93Å; L329-N600 HydrophobicContact CD2-CB 4.24Å; S598-N600 VanDerWaalsContact C-N 3.27Å; S598-N600 PolarHBondContact O-N 3.29Å; S598-N600 PolarHBondContact OG-N 3.27Å; S598-N600 VanDerWaalsContact OG-N 3.16Å
601	E	78.4	Confident	88.2	Confident	27 Å²	27	29.4 Å²	29.4	13%	0.126	15%	0.152	C	C	.	.	S	Bend	trans	-107.7	157.1	-178	-57.6	178.7	177.7	0	0	111.1	E327 S328 F596 N603	E327-E601 HydrophobicContact CB-CG 3.98Å; E327-E601 VanDerWaalsContact O-CG 3.3Å; E327-E601 WeakPolarHBondContact O-CG 3.21Å; S328-E601 WeakPolarHBondContact CA-OE1 3.43Å; S328-E601 PolarHBondContact N-OE1 3.04Å; F596-E601 WeakPolarHBondContact CD1-O 3.42Å; E601-N603 HydrophobicContact CB-CB 4.44Å; E601-N603 PolarHBondContact O-N 3.18Å; E601-N603 PolarHBondContact OE2-ND2 3.47Å
602	W	89.3	Confident	88.2	Confident	39 Å²	39	28.9 Å²	28.9	15%	0.148	15%	0.15	C	C	.	.			trans	-90.6	17.2	176.1	-73.1	85.2	0	0	0	112.8	R553 F554 E564 K567 V568 Q571 F596	R553-W602 HydrophobicContact CG-CH2 3.98Å; R553-W602 HydrophobicContact CG-CZ3 4.14Å; F554-W602 HydrophobicContact CD2-CZ3 4.41Å; F554-W602 HydrophobicContact CE1-CZ3 4.47Å; F554-W602 HydrophobicContact CE2-CH2 4.21Å; F554-W602 AromaticContact CE2-CZ3 3.61Å; F554-W602 HydrophobicContact CE2-CZ3 3.61Å; F554-W602 HydrophobicContact CZ-CH2 4.08Å; F554-W602 AromaticContact CZ-CZ3 3.62Å; F554-W602 HydrophobicContact CZ-CZ3 3.62Å; E564-W602 HydrophobicContact CB-CD2 4.38Å; E564-W602 HydrophobicContact CB-CE3 4.22Å; E564-W602 HydrophobicContact CB-CH2 3.44Å; E564-W602 VanDerWaalsContact CB-CH2 3.44Å; E564-W602 HydrophobicContact CB-CZ2 3.6Å; E564-W602 HydrophobicContact CB-CZ3 3.77Å; E564-W602 VanDerWaalsContact CD-CZ2 3.46Å; E564-W602 HydrophobicContact CG-CD2 4.43Å; E564-W602 HydrophobicContact CG-CH2 3.73Å; E564-W602 HydrophobicContact CG-CZ2 3.31Å; E564-W602 HydrophobicContact CG-CZ3 4.41Å; E564-W602 WeakPolarHBondContact OE1-CZ2 3.3Å; K567-W602 HydrophobicContact CB-CB 4.06Å; K567-W602 HydrophobicContact CD-CB 3.91Å; K567-W602 HydrophobicContact CD-CG 3.92Å; V568-W602 HydrophobicContact CG2-CE3 3.72Å; V568-W602 HydrophobicContact CG2-CZ3 4.07Å; Q571-W602 PolarHBondContact NE2-O 3.06Å; F596-W602 HydrophobicContact CE1-CD2 4.44Å; F596-W602 AromaticContact CE1-CE3 3.8Å; F596-W602 HydrophobicContact CE1-CE3 3.8Å; F596-W602 HydrophobicContact CE1-CZ3 4.27Å; F596-W602 AromaticContact CZ-CE3 3.98Å; F596-W602 HydrophobicContact CZ-CE3 3.98Å; F596-W602 HydrophobicContact CZ-CZ3 4Å
603	N	90.7	Very high	88.3	Confident	24 Å²	24	27.5 Å²	27.5	13%	0.128	15%	0.145	C	C	.	.			trans	-78.6	119.9	-179.4	-69.9	-38	0	0	0	110.3	E327 Q571 F596 Q597 E601	E327-N603 PolarHBondContact OE2-ND2 2.83Å; Q571-N603 VanDerWaalsContact OE1-CA 3.3Å; F596-N603 WeakPolarHBondContact CA-O 3.31Å; Q597-N603 HydrophobicContact CB-CB 4.37Å; Q597-N603 PolarHBondContact N-O 3.16Å; E601-N603 HydrophobicContact CB-CB 4.44Å; E601-N603 PolarHBondContact O-N 3.18Å; E601-N603 PolarHBondContact OE2-ND2 3.47Å
604	I	96.1	Very high	88.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	159.1	-177.3	65.2	85.6	0	0	0	111.9	N525 V568 Q571 I572 V594 M595 F596	N525-I604 WeakPolarHBondContact CA-O 3.38Å; N525-I604 HydrophobicContact CB-CD1 4.31Å; N525-I604 PolarHBondContact ND2-O 3.43Å; V568-I604 HydrophobicContact CG1-CG1 4.33Å; V568-I604 HydrophobicContact CG1-CG2 4.17Å; V568-I604 HydrophobicContact CG2-CG2 4.15Å; Q571-I604 HydrophobicContact CB-CD1 3.76Å; Q571-I604 HydrophobicContact CB-CG1 3.62Å; Q571-I604 HydrophobicContact CG-CG1 4.44Å; I572-I604 HydrophobicContact CG1-CD1 4.06Å; V594-I604 HydrophobicContact CG1-CB 4.03Å; V594-I604 HydrophobicContact CG1-CD1 4.24Å; V594-I604 HydrophobicContact CG1-CG1 4.29Å; V594-I604 HydrophobicContact CG1-CG2 4.19Å; M595-I604 CarbonylContact O-C 3.53Å; M595-I604 VanDerWaalsContact O-CA 3.26Å; M595-I604 WeakPolarHBondContact O-CA 3.21Å; F596-I604 HydrophobicContact CD1-CG2 3.65Å; F596-I604 HydrophobicContact CE1-CG2 3.45Å; F596-I604 VanDerWaalsContact CE1-CG2 3.45Å; F596-I604 HydrophobicContact CE2-CG2 4.38Å; F596-I604 HydrophobicContact CG-CG2 4.2Å; F596-I604 HydrophobicContact CZ-CG2 3.84Å
605	K	96.9	Very high	87.7	Confident	10 Å²	10	31.9 Å²	31.9	4%	0.043	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	137	167.7	-69.3	179.7	169.9	-106.2	0	110.7	E524 N525 I526 S528 E544 L546 M595	E524-K605 WeakPolarHBondContact O-CE 3.37Å; E524-K605 PolarHBondContact O-NZ 3.3Å; N525-K605 WeakPolarHBondContact O-CA 3.3Å; I526-K605 PolarHBondContact O-NZ 3.1Å; S528-K605 PolarHBondContact OG-NZ 3.39Å; E544-K605 VanDerWaalsContact CD-CD 3.43Å; E544-K605 VanDerWaalsContact CD-CE 3.46Å; E544-K605 HydrophobicContact CG-CD 4.49Å; E544-K605 WeakPolarHBondContact OE1-CD 3.34Å; E544-K605 WeakPolarHBondContact OE1-CE 3.42Å; E544-K605 IonicContact OE1-NZ 3.32Å; E544-K605 PolarHBondContact OE1-NZ 2.81Å; E544-K605 WeakPolarHBondContact OE2-CD 3.19Å; E544-K605 WeakPolarHBondContact OE2-CE 3.43Å; E544-K605 IonicContact OE2-NZ 2.63Å; E544-K605 PolarHBondContact OE2-NZ 2.89Å; L546-K605 HydrophobicContact CD1-CB 4.02Å; L546-K605 HydrophobicContact CD2-CD 3.84Å; M595-K605 PolarHBondContact N-O 3.39Å; M595-K605 VanDerWaalsContact N-O 3.08Å; M595-K605 PolarHBondContact O-N 2.82Å
606	L	97.7	Very high	87.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.3	166.1	-60.1	-173	0	0	0	108.9	N525 I527 I572 A575 L576 Y586 N593 V594	N525-L606 PolarHBondContact O-N 2.72Å; I527-L606 PolarHBondContact N-O 3.14Å; I572-L606 HydrophobicContact CG1-CD2 4.26Å; A575-L606 HydrophobicContact CB-CD1 3.56Å; A575-L606 HydrophobicContact CB-CG 4.04Å; L576-L606 HydrophobicContact CD2-CD1 4.43Å; Y586-L606 HydrophobicContact CD1-CD1 3.95Å; Y586-L606 HydrophobicContact CE1-CB 4.27Å; Y586-L606 HydrophobicContact CE1-CD1 3.83Å; Y586-L606 HydrophobicContact CE1-CD2 4.16Å; Y586-L606 HydrophobicContact CE1-CG 4.32Å; N593-L606 WeakPolarHBondContact O-CA 3.33Å; V594-L606 HydrophobicContact CG2-CD2 3.8Å
607	I	93.6	Very high	86.4	Confident	22 Å²	22	40 Å²	40	11%	0.113	20%	0.201	C	C	.	.			trans	-115.6	178	179.8	68.6	150.2	0	0	0	111.1	I527 L546 Y586 N593 M595	I527-I607 HydrophobicContact CB-CG2 4.15Å; I527-I607 HydrophobicContact CD1-CB 4.43Å; I527-I607 HydrophobicContact CD1-CG2 3.9Å; L546-I607 HydrophobicContact CD1-CG2 3.52Å; Y586-I607 WeakPolarHBondContact CE2-O 3.17Å; Y586-I607 PolarHBondContact OH-O 3.35Å; N593-I607 VanDerWaalsContact CA-CG1 3.43Å; N593-I607 HydrophobicContact CB-CG1 4Å; N593-I607 WeakPolarHBondContact O-CG1 3.37Å; N593-I607 PolarHBondContact O-N 2.89Å; M595-I607 HydrophobicContact CB-CG2 4.4Å; M595-I607 HydrophobicContact CG-CD1 4.25Å; M595-I607 HydrophobicContact CG-CG1 4.49Å; M595-I607 HydrophobicContact CG-CG2 4.37Å; M595-I607 HydrophobicContact SD-CD1 3.54Å; M595-I607 VanDerWaalsContact SD-CD1 3.54Å; M595-I607 HydrophobicContact SD-CG1 4.28Å; M595-I607 HydrophobicContact SD-CG2 4.14Å
608	D	90	Very high	85.8	Confident	50 Å²	50	39.3 Å²	39.3	27%	0.267	20%	0.199	S	C	.	.			trans	50.4	82.4	174.9	-171	27.3	0	0	0	114.5	K499 N588 G610	K499-D608 IonicContact NZ-OD1 3.23Å; K499-D608 PolarHBondContact NZ-OD1 2.8Å; N588-D608 PolarHBondContact ND2-O 2.98Å; N588-D608 PolarHBondContact ND2-OD2 2.64Å; N588-D608 VanDerWaalsContact ND2-OD2 3.13Å; D608-G610 PolarHBondContact O-N 2.87Å; D608-G610 PolarHBondContact OD1-N 2.76Å
609	M	91.6	Very high	85.8	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.01	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-79.5	6.8	175.6	-64.9	-64	176.2	0	0	112.6	E514 V517 L518 I526 L579 Y586 A611 A612	E514-M609 HydrophobicContact CG-CB 4.02Å; V517-M609 HydrophobicContact CB-CB 4.39Å; V517-M609 HydrophobicContact CG1-CB 3.98Å; V517-M609 HydrophobicContact CG1-CG 3.93Å; V517-M609 HydrophobicContact CG1-SD 4.14Å; L518-M609 HydrophobicContact CD2-CB 4.34Å; L518-M609 HydrophobicContact CD2-CG 3.58Å; L518-M609 HydrophobicContact CG-CB 4.19Å; L518-M609 HydrophobicContact CG-CG 3.95Å; I526-M609 HydrophobicContact CB-CE 4.33Å; I526-M609 HydrophobicContact CD1-CE 4.16Å; I526-M609 HydrophobicContact CG1-CE 4.17Å; I526-M609 HydrophobicContact CG2-CE 3.34Å; L579-M609 HydrophobicContact CD1-CE 4.39Å; L579-M609 HydrophobicContact CD2-CE 4.48Å; Y586-M609 HydrophobicContact CD2-CE 4.42Å; Y586-M609 HydrophobicContact CD2-SD 3.71Å; Y586-M609 HydrophobicContact CE2-CE 4.28Å; Y586-M609 HydrophobicContact CE2-SD 3.76Å; M609-A611 PolarHBondContact O-N 3Å; M609-A612 HydrophobicContact CB-CB 4.41Å; M609-A612 VanDerWaalsContact O-CB 3.28Å; M609-A612 WeakPolarHBondContact O-CB 3.44Å; M609-A612 PolarHBondContact O-N 3.34Å; M609-A612 HydrophobicContact SD-CB 4.34Å
610	G	86.1	Confident	86.3	Confident	16 Å²	16	33.3 Å²	33.3	17%	0.165	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-61.3	-28.4	179.5	0	0	0	0	0	113.3	R510 D608	R510-G610 PolarHBondContact NE-O 2.96Å; R510-G610 PolarHBondContact NH2-O 3.48Å; D608-G610 PolarHBondContact O-N 2.87Å; D608-G610 PolarHBondContact OD1-N 2.76Å
611	A	87.6	Confident	87.1	Confident	22 Å²	22	30 Å²	30	18%	0.182	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-81.8	-19	175.8	0	0	0	0	0	113.7	R510 N588 M609	R510-A611 VanDerWaalsContact NH2-CA 3.25Å; R510-A611 PolarHBondContact NH2-O 2.87Å; N588-A611 HydrophobicContact CB-CB 3.72Å; M609-A611 PolarHBondContact O-N 3Å
612	A	91.3	Very high	87	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.008	18%	0.182	C	C	.	.			trans	-65.2	146.3	-170.8	0	0	0	0	0	111.6	I584 V585 Y586 M609	I584-A612 HydrophobicContact CG2-CB 3.94Å; V585-A612 CarbonylContact O-C 3.59Å; V585-A612 VanDerWaalsContact O-CA 3.25Å; V585-A612 WeakPolarHBondContact O-CA 3.49Å; Y586-A612 PolarHBondContact O-N 3.43Å; M609-A612 HydrophobicContact CB-CB 4.41Å; M609-A612 VanDerWaalsContact O-CB 3.28Å; M609-A612 WeakPolarHBondContact O-CB 3.44Å; M609-A612 PolarHBondContact O-N 3.34Å; M609-A612 HydrophobicContact SD-CB 4.34Å
613	S	89.8	Confident	86.5	Confident	24 Å²	24	36.9 Å²	36.9	17%	0.168	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	144.8	-179.5	-168	0	0	0	0	111.4	I584 V585	I584-S613 WeakPolarHBondContact CA-O 3.32Å; V585-S613 WeakPolarHBondContact CG2-O 3.47Å; V585-S613 PolarHBondContact N-O 2.94Å; V585-S613 PolarHBondContact O-N 3.04Å
614	R	88.7	Confident	85.2	Confident	94 Å²	94	40.8 Å²	40.8	36%	0.355	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.7	177	-65.8	-174.2	-172.8	-101.3	5.1	109.6	E520 R583 I584	E520-R614 VanDerWaalsContact CD-NH2 3.32Å; E520-R614 IonicContact OE1-NH2 2.63Å; E520-R614 IonicContact OE2-CZ 3.73Å; E520-R614 VanDerWaalsContact OE2-CZ 3.3Å; E520-R614 IonicContact OE2-NH1 3.79Å; E520-R614 PolarHBondContact OE2-NH1 3.29Å; E520-R614 IonicContact OE2-NH2 3.64Å; E520-R614 PolarHBondContact OE2-NH2 3.03Å; R583-R614 CarbonylContact O-C 3.36Å; R583-R614 WeakPolarHBondContact O-CA 3.41Å; I584-R614 HydrophobicContact CG1-CG 4.24Å
615	M	87.1	Confident	83.5	Confident	16 Å²	16	42.8 Å²	42.8	8%	0.079	22%	0.223	C	C	.	.			trans	-75.3	144.1	175.5	-62.8	-170.8	-77.5	0	0	110.6	H580 R583 V585 V620 P639	H580-M615 WeakPolarHBondContact O-CE 3.38Å; R583-M615 VanDerWaalsContact CA-CE 3.46Å; R583-M615 HydrophobicContact CB-CB 4.42Å; R583-M615 HydrophobicContact CB-CE 4.37Å; R583-M615 PolarHBondContact O-N 2.97Å; V585-M615 HydrophobicContact CG1-CG 3.92Å; V585-M615 HydrophobicContact CG1-SD 3.82Å; M615-V620 WeakPolarHBondContact CA-O 2.88Å; M615-P639 HydrophobicContact CE-CG 3.75Å; M615-P639 WeakPolarHBondContact SD-CD 3.33Å; M615-P639 HydrophobicContact SD-CG 3.41Å; M615-P639 WeakPolarHBondContact SD-CG 3.46Å
616	D	83	Confident	81.9	Confident	68 Å²	68	48.1 Å²	48.1	36%	0.364	25%	0.252	S	S	.	.			trans	-73.1	-175.4	170.6	73.5	-0.9	0	0	0	112	N618 G619 V620	D616-N618 PolarHBondContact O-N 3.49Å; D616-N618 VanDerWaalsContact OD1-CA 3.31Å; D616-N618 WeakPolarHBondContact OD1-CA 3.45Å; D616-N618 WeakPolarHBondContact OD1-CB 3.38Å; D616-N618 PolarHBondContact OD1-N 3.32Å; D616-N618 PolarHBondContact OD2-ND2 3.26Å; D616-G619 PolarHBondContact O-N 3.15Å; D616-G619 PolarHBondContact OD1-N 2.73Å; D616-V620 VanDerWaalsContact CG-O 3.28Å; D616-V620 PolarHBondContact N-O 3.1Å; D616-V620 WeakPolarHBondContact OD1-CG2 3.4Å; D616-V620 PolarHBondContact OD1-N 3.1Å; D616-V620 VanDerWaalsContact OD1-O 3.12Å; D616-V620 WeakPolarHBondContact OD2-CG2 3.48Å
617	E	75.6	Confident	80.3	Confident	143 Å²	143	51.8 Å²	51.8	67%	0.668	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.4	175.8	60.8	-175.2	179.3	0	0	113.5	L186 G619	L186-E617 WeakPolarHBondContact CD2-O 2.97Å; E617-G619 VanDerWaalsContact C-N 3.3Å
618	N	73.3	Confident	79.1	Confident	66 Å²	66	50.8 Å²	50.8	35%	0.353	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-10.5	178.5	-57.1	-60.6	0	0	0	112.5	S183 L186 D616 V620	S183-N618 PolarHBondContact OG-O 3.47Å; L186-N618 VanDerWaalsContact CD2-C 3.43Å; L186-N618 WeakPolarHBondContact CD2-O 3.43Å; D616-N618 PolarHBondContact O-N 3.49Å; D616-N618 VanDerWaalsContact OD1-CA 3.31Å; D616-N618 WeakPolarHBondContact OD1-CA 3.45Å; D616-N618 WeakPolarHBondContact OD1-CB 3.38Å; D616-N618 PolarHBondContact OD1-N 3.32Å; D616-N618 PolarHBondContact OD2-ND2 3.26Å; N618-V620 HydrophobicContact CB-CG2 4.38Å
619	G	77.2	Confident	78.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	86.3	23.5	179.2	0	0	0	0	0	114	Y182 D616 E617	Y182-G619 WeakPolarHBondContact CD1-O 3.2Å; D616-G619 PolarHBondContact O-N 3.15Å; D616-G619 PolarHBondContact OD1-N 2.73Å; E617-G619 VanDerWaalsContact C-N 3.3Å
620	V	81.6	Confident	77.2	Confident	5 Å²	5	49 Å²	49	3%	0.03	26%	0.26	C	S	.	.			trans	-122.2	151	178.4	-57.6	0	0	0	0	109.8	M615 D616 N618 L636 A637 T638	M615-V620 WeakPolarHBondContact CA-O 2.88Å; D616-V620 VanDerWaalsContact CG-O 3.28Å; D616-V620 PolarHBondContact N-O 3.1Å; D616-V620 WeakPolarHBondContact OD1-CG2 3.4Å; D616-V620 PolarHBondContact OD1-N 3.1Å; D616-V620 VanDerWaalsContact OD1-O 3.12Å; D616-V620 WeakPolarHBondContact OD2-CG2 3.48Å; N618-V620 HydrophobicContact CB-CG2 4.38Å; V620-L636 HydrophobicContact CG2-CD2 4.22Å; V620-A637 WeakPolarHBondContact CA-O 3.15Å; V620-T638 HydrophobicContact CG1-CG2 4.21Å
621	A	82.8	Confident	76.8	Confident	2 Å²	2	48.5 Å²	48.5	2%	0.017	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.9	173.3	0	0	0	0	0	108.8	V585 V623 A637	V585-A621 HydrophobicContact CG2-CB 3.73Å; A621-V623 HydrophobicContact CB-CG1 4.42Å; A621-V623 PolarHBondContact O-N 3.21Å; A621-A637 HydrophobicContact CB-CB 4.28Å; A621-A637 PolarHBondContact N-O 3.29Å; A621-A637 PolarHBondContact O-N 3.41Å
622	R	77.1	Confident	75.9	Confident	192 Å²	192	49.9 Å²	49.9	73%	0.725	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.4	174.8	-171.9	178.8	-70.6	-106.7	-0.6	109	Q635 L636	R622-Q635 WeakPolarHBondContact CA-O 3.46Å; R622-L636 HydrophobicContact CB-CD2 4.37Å
623	V	79	Confident	74.8	Confident	18 Å²	18	55.7 Å²	55.7	11%	0.109	28%	0.282	C	S	.	.			trans	-139.9	144.3	-176	-62.5	0	0	0	0	111.5	L587 A621 I631 Q635 A637	L587-V623 HydrophobicContact CD1-CB 4.37Å; L587-V623 HydrophobicContact CD1-CG1 3.72Å; L587-V623 HydrophobicContact CD1-CG2 4.18Å; A621-V623 HydrophobicContact CB-CG1 4.42Å; A621-V623 PolarHBondContact O-N 3.21Å; V623-I631 HydrophobicContact CG2-CD1 3.79Å; V623-I631 HydrophobicContact CG2-CG1 3.96Å; V623-I631 HydrophobicContact CG2-CG2 3.76Å; V623-Q635 PolarHBondContact N-O 3.4Å; V623-Q635 WeakPolarHBondContact O-CB 3.24Å; V623-A637 HydrophobicContact CG1-CB 4.21Å; V623-A637 HydrophobicContact CG2-CB 3.65Å
624	S	63.7	Low	73.8	Confident	106 Å²	106	56.5 Å²	56.5	74%	0.741	29%	0.285	S	S	*	.			trans	-97	85.4	168.5	57.5	0	0	0	0	108.3
625	S	60	Low	73.1	Confident	42 Å²	42	57 Å²	57	29%	0.294	29%	0.291	S	S	.	.			trans	-139.5	149.3	179.1	-177.9	0	0	0	0	110	I631	S625-I631 WeakPolarHBondContact O-CG2 3.47Å
626	D	62.5	Low	72.8	Confident	122 Å²	122	57.3 Å²	57.3	65%	0.652	29%	0.293	S	S	*	.	S	Bend	trans	-102.5	14.4	-160.3	-62.1	-34.1	0	0	0	115.4	L632	D626-L632 WeakPolarHBondContact O-CD2 3.49Å
627	V	64.8	Low	72.8	Confident	76 Å²	76	54.1 Å²	54.1	46%	0.461	28%	0.276	S	S	.	.	S	Bend	trans	-120	-38.3	-158.6	-115.9	0	0	0	0	117	W644	V627-W644 WeakPolarHBondContact O-CH2 3.47Å; V627-W644 VanDerWaalsContact O-CZ3 3.26Å; V627-W644 WeakPolarHBondContact O-CZ3 3.27Å
628	T	68.9	Low	73.3	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	24%	0.244	C	C	.	.	S	Bend	trans	-91.4	148.3	-177.6	77.7	0	0	0	0	111.6	E630 I631 L632 W644	T628-E630 VanDerWaalsContact C-N 3.28Å; T628-E630 PolarHBondContact O-N 3.25Å; T628-E630 PolarHBondContact OG1-OE1 3.46Å; T628-I631 HydrophobicContact CG2-CD1 4.08Å; T628-I631 PolarHBondContact O-N 3.09Å; T628-I631 VanDerWaalsContact O-N 3.15Å; T628-I631 WeakPolarHBondContact OG1-CB 3.37Å; T628-I631 WeakPolarHBondContact OG1-CD1 3.45Å; T628-I631 WeakPolarHBondContact OG1-CG1 3.46Å; T628-I631 PolarHBondContact OG1-N 2.85Å; T628-L632 WeakPolarHBondContact O-CB 3.37Å; T628-L632 VanDerWaalsContact O-CG 3.32Å; T628-L632 WeakPolarHBondContact O-CG 3.34Å; T628-L632 PolarHBondContact O-N 2.96Å; T628-W644 HydrophobicContact CG2-CD2 4.37Å; T628-W644 HydrophobicContact CG2-CE3 3.66Å; T628-W644 HydrophobicContact CG2-CZ3 4.12Å
629	P	68.5	Low	74.1	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.019	23%	0.228	C	C	.	.	H	α-helix	trans	-53.5	-45.4	-178.6	-23	29.2	0	0	0	112.9	L632 F633 W644 V675 K703	P629-L632 PolarHBondContact O-N 3.23Å; P629-F633 WeakPolarHBondContact O-CD2 3.44Å; P629-F633 PolarHBondContact O-N 3.2Å; P629-F633 VanDerWaalsContact O-N 3.16Å; P629-W644 HydrophobicContact CG-CZ2 4.45Å; P629-V675 HydrophobicContact CB-CG1 4.42Å; P629-V675 HydrophobicContact CG-CG1 3.74Å; P629-K703 HydrophobicContact CB-CG 3.79Å; P629-K703 HydrophobicContact CG-CG 4.11Å
630	E	72.8	Confident	74.7	Confident	13 Å²	13	44.6 Å²	44.6	6%	0.061	23%	0.23	C	C	.	.	H	α-helix	trans	-69.3	-34.4	-179.6	61.7	-83.3	-167.6	0	0	113.8	T628 F633 D634 S641 V705 R708	T628-E630 VanDerWaalsContact C-N 3.28Å; T628-E630 PolarHBondContact O-N 3.25Å; T628-E630 PolarHBondContact OG1-OE1 3.46Å; E630-F633 PolarHBondContact O-N 2.95Å; E630-D634 PolarHBondContact O-N 3.24Å; E630-S641 WeakPolarHBondContact OE1-CA 3.27Å; E630-S641 VanDerWaalsContact OE1-CB 3.26Å; E630-S641 WeakPolarHBondContact OE1-CB 3.36Å; E630-S641 PolarHBondContact OE1-OG 2.77Å; E630-V705 HydrophobicContact CB-CG2 4.03Å; E630-V705 HydrophobicContact CG-CG2 4.16Å; E630-R708 VanDerWaalsContact CD-NH1 3.34Å; E630-R708 IonicContact OE1-CZ 3.23Å; E630-R708 IonicContact OE1-NH1 2.82Å; E630-R708 PolarHBondContact OE1-NH1 2.82Å; E630-R708 IonicContact OE1-NH2 2.71Å; E630-R708 IonicContact OE2-CZ 3.87Å; E630-R708 IonicContact OE2-NH1 2.91Å; E630-R708 PolarHBondContact OE2-NH1 3.11Å; E630-R708 IonicContact OE2-NH2 3.49Å; E630-R708 PolarHBondContact OE2-NH2 3.37Å
631	I	77.9	Confident	75.1	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-72.5	-38.9	175.8	-62.2	168.1	0	0	0	109.7	L587 V623 S625 T628 F633 Q635 A637	L587-I631 HydrophobicContact CD2-CD1 4.32Å; V623-I631 HydrophobicContact CG2-CD1 3.79Å; V623-I631 HydrophobicContact CG2-CG1 3.96Å; V623-I631 HydrophobicContact CG2-CG2 3.76Å; S625-I631 WeakPolarHBondContact O-CG2 3.47Å; T628-I631 HydrophobicContact CG2-CD1 4.08Å; T628-I631 PolarHBondContact O-N 3.09Å; T628-I631 VanDerWaalsContact O-N 3.15Å; T628-I631 WeakPolarHBondContact OG1-CB 3.37Å; T628-I631 WeakPolarHBondContact OG1-CD1 3.45Å; T628-I631 WeakPolarHBondContact OG1-CG1 3.46Å; T628-I631 PolarHBondContact OG1-N 2.85Å; I631-F633 PolarHBondContact O-N 2.87Å; I631-Q635 WeakPolarHBondContact O-CA 3.12Å; I631-Q635 PolarHBondContact O-N 3.2Å; I631-A637 HydrophobicContact CD1-CB 4.01Å; I631-A637 HydrophobicContact CG1-CB 4.24Å
632	L	68.5	Low	75.6	Confident	52 Å²	52	44.3 Å²	44.3	27%	0.272	23%	0.228	S	C	.	.	H	α-helix	trans	-59.7	-34.5	175.5	-75.2	169.8	0	0	0	112.8	D626 T628 P629 I672 L676	D626-L632 WeakPolarHBondContact O-CD2 3.49Å; T628-L632 WeakPolarHBondContact O-CB 3.37Å; T628-L632 VanDerWaalsContact O-CG 3.32Å; T628-L632 WeakPolarHBondContact O-CG 3.34Å; T628-L632 PolarHBondContact O-N 2.96Å; P629-L632 PolarHBondContact O-N 3.23Å; L632-I672 HydrophobicContact CD1-CG2 4.02Å; L632-I672 HydrophobicContact CD2-CG2 4.28Å; L632-L676 HydrophobicContact CB-CD2 4.2Å; L632-L676 HydrophobicContact CD1-CD2 4.09Å; L632-L676 HydrophobicContact CD1-CG 4.48Å
633	F	68.8	Low	76.4	Confident	122 Å²	122	35.2 Å²	35.2	54%	0.535	19%	0.193	S	C	.	.	H	α-helix	trans	-85	-53.9	178.1	-78.4	-66.4	0	0	0	113	P629 E630 I631 L676	P629-F633 WeakPolarHBondContact O-CD2 3.44Å; P629-F633 PolarHBondContact O-N 3.2Å; P629-F633 VanDerWaalsContact O-N 3.16Å; E630-F633 PolarHBondContact O-N 2.95Å; I631-F633 PolarHBondContact O-N 2.87Å; F633-L676 HydrophobicContact CD2-CD2 4.12Å; F633-L676 HydrophobicContact CE1-CD2 4.35Å; F633-L676 HydrophobicContact CE2-CD2 3.41Å; F633-L676 VanDerWaalsContact CE2-CD2 3.41Å; F633-L676 HydrophobicContact CZ-CD2 3.56Å
634	D	68.9	Low	77.1	Confident	41 Å²	41	34.5 Å²	34.5	22%	0.219	19%	0.189	C	C	.	.	H	α-helix	trans	-113	-5.2	-166.3	-71.3	-30.9	0	0	0	113.6	E630 L636	E630-D634 PolarHBondContact O-N 3.24Å; D634-L636 HydrophobicContact CB-CB 4.35Å; D634-L636 HydrophobicContact CB-CD1 4.2Å; D634-L636 HydrophobicContact CB-CG 4.15Å; D634-L636 PolarHBondContact O-N 2.9Å
635	Q	73.6	Confident	78.5	Confident	105 Å²	105	29.9 Å²	29.9	49%	0.491	16%	0.156	S	C	.	.	S	Bend	trans	55.9	26.5	-171.1	-63.7	-178.1	-15.2	0	0	113.3	R622 V623 I631	R622-Q635 WeakPolarHBondContact CA-O 3.46Å; V623-Q635 PolarHBondContact N-O 3.4Å; V623-Q635 WeakPolarHBondContact O-CB 3.24Å; I631-Q635 WeakPolarHBondContact O-CA 3.12Å; I631-Q635 PolarHBondContact O-N 3.2Å
636	L	79.6	Confident	80.3	Confident	23 Å²	23	27.9 Å²	27.9	12%	0.12	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.2	178.8	-62.8	177.1	0	0	0	109.6	V620 R622 D634	V620-L636 HydrophobicContact CG2-CD2 4.22Å; R622-L636 HydrophobicContact CB-CD2 4.37Å; D634-L636 HydrophobicContact CB-CB 4.35Å; D634-L636 HydrophobicContact CB-CD1 4.2Å; D634-L636 HydrophobicContact CB-CG 4.15Å; D634-L636 PolarHBondContact O-N 2.9Å
637	A	84.2	Confident	81.9	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	141.5	167.2	0	0	0	0	0	110.5	V585 L587 V620 A621 V623 I631	V585-A637 HydrophobicContact CG2-CB 4.05Å; L587-A637 HydrophobicContact CD1-CB 3.7Å; L587-A637 HydrophobicContact CD2-CB 3.73Å; L587-A637 HydrophobicContact CG-CB 4.32Å; V620-A637 WeakPolarHBondContact CA-O 3.15Å; A621-A637 HydrophobicContact CB-CB 4.28Å; A621-A637 PolarHBondContact N-O 3.29Å; A621-A637 PolarHBondContact O-N 3.41Å; V623-A637 HydrophobicContact CG1-CB 4.21Å; V623-A637 HydrophobicContact CG2-CB 3.65Å; I631-A637 HydrophobicContact CD1-CB 4.01Å; I631-A637 HydrophobicContact CG1-CB 4.24Å
638	T	86.2	Confident	83.3	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.006	9%	0.094	C	C	.	.			trans	-126.4	165.4	170.6	66.8	0	0	0	0	108.6	Y182 V620 L640 S641	Y182-T638 HydrophobicContact CG-CG2 4.5Å; V620-T638 HydrophobicContact CG1-CG2 4.21Å; T638-L640 PolarHBondContact O-N 2.84Å; T638-L640 VanDerWaalsContact O-N 3.07Å; T638-L640 PolarHBondContact OG1-N 2.67Å; T638-S641 PolarHBondContact N-OG 3.32Å; T638-S641 WeakPolarHBondContact O-CA 3.26Å; T638-S641 WeakPolarHBondContact O-CB 3.42Å; T638-S641 PolarHBondContact O-N 3.43Å; T638-S641 PolarHBondContact O-OG 2.75Å; T638-S641 PolarHBondContact OG1-N 2.82Å; T638-S641 PolarHBondContact OG1-OG 2.72Å
639	P	88.9	Confident	84.6	Confident	2 Å²	2	19.5 Å²	19.5	1%	0.013	9%	0.094	C	C	.	.	H	α-helix	trans	-52.9	-27.8	169.2	-34.3	42.3	0	0	0	113.9	Y182 H580 V585 M615 S641 D642	Y182-P639 HydrophobicContact CE1-CG 3.74Å; Y182-P639 VanDerWaalsContact CZ-CD 3.43Å; Y182-P639 WeakPolarHBondContact OH-CB 3.44Å; Y182-P639 WeakPolarHBondContact OH-CD 3.42Å; Y182-P639 WeakPolarHBondContact OH-CG 3.08Å; H580-P639 HydrophobicContact CB-CB 4.28Å; H580-P639 HydrophobicContact CB-CG 4.43Å; H580-P639 PolarHBondContact CE1-O 3.35Å; H580-P639 VanDerWaalsContact CE1-O 3.24Å; V585-P639 HydrophobicContact CG1-CG 4.08Å; M615-P639 HydrophobicContact CE-CG 3.75Å; M615-P639 WeakPolarHBondContact SD-CD 3.33Å; M615-P639 HydrophobicContact SD-CG 3.41Å; M615-P639 WeakPolarHBondContact SD-CG 3.46Å; P639-S641 VanDerWaalsContact C-N 3.26Å; P639-S641 PolarHBondContact O-N 2.93Å; P639-D642 WeakPolarHBondContact O-CB 3.15Å; P639-D642 PolarHBondContact O-N 2.97Å
640	L	90.2	Very high	86	Confident	7 Å²	7	19.3 Å²	19.3	4%	0.037	9%	0.093	C	C	.	.	H	α-helix	trans	-73.9	-18	176.1	-67.6	178.3	0	0	0	112.6	Y182 T638 D642 I643 W644 V705 R708 M709 T710	Y182-L640 HydrophobicContact CD2-CD1 4.39Å; Y182-L640 HydrophobicContact CE2-CD1 3.97Å; Y182-L640 HydrophobicContact CE2-CG 4.04Å; T638-L640 PolarHBondContact O-N 2.84Å; T638-L640 VanDerWaalsContact O-N 3.07Å; T638-L640 PolarHBondContact OG1-N 2.67Å; L640-D642 VanDerWaalsContact C-N 3.29Å; L640-I643 HydrophobicContact CD2-CG1 4.11Å; L640-I643 PolarHBondContact O-N 3.39Å; L640-W644 PolarHBondContact O-N 3.07Å; L640-V705 HydrophobicContact CB-CG1 4.08Å; L640-V705 HydrophobicContact CD1-CG1 3.43Å; L640-V705 VanDerWaalsContact CD1-CG1 3.43Å; L640-V705 WeakPolarHBondContact CD1-O 3.27Å; L640-V705 HydrophobicContact CG-CG1 4.35Å; L640-R708 WeakPolarHBondContact O-CD 3.39Å; L640-R708 PolarHBondContact O-NH1 2.92Å; L640-M709 WeakPolarHBondContact CD2-O 3.36Å; L640-T710 HydrophobicContact CD2-CG2 4.24Å
641	S	90.1	Very high	87.1	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-37.8	169.4	-52.8	0	0	0	0	111.1	E630 T638 P639 I643 W644 N645	E630-S641 WeakPolarHBondContact OE1-CA 3.27Å; E630-S641 VanDerWaalsContact OE1-CB 3.26Å; E630-S641 WeakPolarHBondContact OE1-CB 3.36Å; E630-S641 PolarHBondContact OE1-OG 2.77Å; T638-S641 PolarHBondContact N-OG 3.32Å; T638-S641 WeakPolarHBondContact O-CA 3.26Å; T638-S641 WeakPolarHBondContact O-CB 3.42Å; T638-S641 PolarHBondContact O-N 3.43Å; T638-S641 PolarHBondContact O-OG 2.75Å; T638-S641 PolarHBondContact OG1-N 2.82Å; T638-S641 PolarHBondContact OG1-OG 2.72Å; P639-S641 VanDerWaalsContact C-N 3.26Å; P639-S641 PolarHBondContact O-N 2.93Å; S641-I643 VanDerWaalsContact C-N 3.35Å; S641-I643 PolarHBondContact O-N 2.78Å; S641-W644 WeakPolarHBondContact O-CB 3.48Å; S641-W644 PolarHBondContact O-N 2.93Å; S641-N645 PolarHBondContact O-N 3.04Å; S641-N645 VanDerWaalsContact O-N 3.15Å
642	D	93.7	Very high	87.9	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.5	-38.8	173.5	-66.8	-31.8	0	0	0	112.1	L576 H580 Y586 L587 P639 L640 W644 N645 L646	L576-D642 HydrophobicContact CD1-CB 3.88Å; L576-D642 HydrophobicContact CD2-CB 3.74Å; L576-D642 HydrophobicContact CG-CB 4.38Å; H580-D642 IonicContact CD2-OD2 3.28Å; H580-D642 IonicContact CE1-OD2 2.75Å; H580-D642 IonicContact NE2-OD2 2.75Å; H580-D642 PolarHBondContact NE2-OD2 3Å; Y586-D642 PolarHBondContact N-OD1 3.49Å; Y586-D642 PolarHBondContact N-OD2 3.09Å; L587-D642 VanDerWaalsContact CA-OD1 3.3Å; L587-D642 WeakPolarHBondContact CA-OD1 3.16Å; L587-D642 PolarHBondContact N-OD1 2.92Å; P639-D642 WeakPolarHBondContact O-CB 3.15Å; P639-D642 PolarHBondContact O-N 2.97Å; L640-D642 VanDerWaalsContact C-N 3.29Å; D642-W644 VanDerWaalsContact C-N 3.28Å; D642-W644 PolarHBondContact O-N 3.42Å; D642-N645 PolarHBondContact O-N 3.23Å; D642-L646 PolarHBondContact O-N 3.38Å
643	I	94.1	Very high	89.2	Confident	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-64.2	-36.2	175.9	-60.2	-58.8	0	0	0	111.4	L573 L576 L640 S641 L646 G647 A700 R708 M709 T711	L573-I643 HydrophobicContact CD2-CD1 3.87Å; L576-I643 HydrophobicContact CD1-CD1 4.5Å; L640-I643 HydrophobicContact CD2-CG1 4.11Å; L640-I643 PolarHBondContact O-N 3.39Å; S641-I643 VanDerWaalsContact C-N 3.35Å; S641-I643 PolarHBondContact O-N 2.78Å; I643-L646 WeakPolarHBondContact O-CB 3.45Å; I643-L646 PolarHBondContact O-N 3.28Å; I643-G647 PolarHBondContact O-N 3.37Å; I643-A700 HydrophobicContact CG2-CB 3.82Å; I643-A700 WeakPolarHBondContact O-CB 3.21Å; I643-R708 HydrophobicContact CG2-CG 4.12Å; I643-M709 HydrophobicContact CG2-CE 4.3Å; I643-M709 HydrophobicContact CG2-CG 3.9Å; I643-M709 WeakPolarHBondContact CG2-O 3.22Å; I643-T711 HydrophobicContact CD1-CG2 3.71Å
644	W	92.7	Very high	90.5	Very high	3 Å²	3	10.5 Å²	10.5	1%	0.011	5%	0.052	C	C	.	.	H	α-helix	trans	-64.8	-44.3	175.8	-172.4	88.6	0	0	0	111.5	V627 T628 P629 L640 S641 D642 L646 G647 L648 F660 V675 L701	V627-W644 WeakPolarHBondContact O-CH2 3.47Å; V627-W644 VanDerWaalsContact O-CZ3 3.26Å; V627-W644 WeakPolarHBondContact O-CZ3 3.27Å; T628-W644 HydrophobicContact CG2-CD2 4.37Å; T628-W644 HydrophobicContact CG2-CE3 3.66Å; T628-W644 HydrophobicContact CG2-CZ3 4.12Å; P629-W644 HydrophobicContact CG-CZ2 4.45Å; L640-W644 PolarHBondContact O-N 3.07Å; S641-W644 WeakPolarHBondContact O-CB 3.48Å; S641-W644 PolarHBondContact O-N 2.93Å; D642-W644 VanDerWaalsContact C-N 3.28Å; D642-W644 PolarHBondContact O-N 3.42Å; W644-L646 VanDerWaalsContact C-N 3.34Å; W644-L646 PolarHBondContact O-N 2.78Å; W644-G647 WeakPolarHBondContact O-CA 3.46Å; W644-G647 PolarHBondContact O-N 3.41Å; W644-L648 HydrophobicContact CD2-CG 4.44Å; W644-L648 HydrophobicContact CE3-CD1 3.82Å; W644-L648 HydrophobicContact CE3-CG 4.04Å; W644-L648 HydrophobicContact CH2-CD1 3.4Å; W644-L648 VanDerWaalsContact CH2-CD1 3.4Å; W644-L648 HydrophobicContact CH2-CD2 4.02Å; W644-L648 HydrophobicContact CH2-CG 3.87Å; W644-L648 HydrophobicContact CZ2-CD1 4.24Å; W644-L648 HydrophobicContact CZ2-CD2 4.11Å; W644-L648 HydrophobicContact CZ2-CG 4.22Å; W644-L648 HydrophobicContact CZ3-CD1 3.14Å; W644-L648 HydrophobicContact CZ3-CD2 4.43Å; W644-L648 HydrophobicContact CZ3-CG 3.76Å; W644-L648 PolarHBondContact O-N 3.1Å; W644-F660 AromaticContact CZ2-CE2 3.85Å; W644-F660 HydrophobicContact CZ2-CE2 3.85Å; W644-F660 HydrophobicContact CZ2-CZ 4.46Å; W644-V675 HydrophobicContact CZ2-CG1 4.03Å; W644-V675 HydrophobicContact CZ2-CG2 4.29Å; W644-L701 HydrophobicContact CD2-CD2 4.44Å; W644-L701 HydrophobicContact CG-CD2 4.43Å
645	N	94.3	Very high	91.7	Very high	9 Å²	9	8.6 Å²	8.6	5%	0.048	4%	0.042	C	C	.	.	H	α-helix	trans	-63.2	-38.8	174.8	-70.3	-23.9	0	0	0	111.9	V589 S641 D642 G647 L648 L649	V589-N645 HydrophobicContact CB-CB 3.8Å; V589-N645 HydrophobicContact CG2-CB 4.41Å; S641-N645 PolarHBondContact O-N 3.04Å; S641-N645 VanDerWaalsContact O-N 3.15Å; D642-N645 PolarHBondContact O-N 3.23Å; N645-G647 VanDerWaalsContact C-N 3.29Å; N645-G647 PolarHBondContact O-N 3.38Å; N645-L648 WeakPolarHBondContact O-CB 3.42Å; N645-L648 PolarHBondContact O-N 3.05Å; N645-L649 PolarHBondContact O-N 3.17Å
646	L	97.1	Very high	92.5	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-60.3	-39.5	170.5	174.8	61.7	0	0	0	111.8	V569 I572 L573 V589 D642 I643 W644 L649 C650 F696	V569-L646 HydrophobicContact CG1-CD1 4.38Å; V569-L646 HydrophobicContact CG1-CD2 4.47Å; V569-L646 HydrophobicContact CG2-CD1 4.46Å; I572-L646 HydrophobicContact CB-CD1 4.27Å; I572-L646 HydrophobicContact CD1-CD1 4.12Å; I572-L646 HydrophobicContact CG2-CD1 3.94Å; L573-L646 HydrophobicContact CD2-CD2 3.5Å; L573-L646 VanDerWaalsContact CD2-CD2 3.5Å; L573-L646 HydrophobicContact CG-CD2 3.72Å; V589-L646 HydrophobicContact CG1-CB 4.41Å; D642-L646 PolarHBondContact O-N 3.38Å; I643-L646 WeakPolarHBondContact O-CB 3.45Å; I643-L646 PolarHBondContact O-N 3.28Å; W644-L646 VanDerWaalsContact C-N 3.34Å; W644-L646 PolarHBondContact O-N 2.78Å; L646-L649 HydrophobicContact CD1-CD2 4.42Å; L646-L649 PolarHBondContact O-N 3.48Å; L646-C650 WeakPolarHBondContact O-CB 3.38Å; L646-C650 PolarHBondContact O-N 3Å; L646-C650 PolarHBondContact O-SG 3.28Å; L646-F696 HydrophobicContact CD2-CZ 4.28Å
647	G	96.2	Very high	92.9	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-60.6	-42.6	173.8	0	0	0	0	0	112.8	I643 W644 N645 C650 F651 A700	I643-G647 PolarHBondContact O-N 3.37Å; W644-G647 WeakPolarHBondContact O-CA 3.46Å; W644-G647 PolarHBondContact O-N 3.41Å; N645-G647 VanDerWaalsContact C-N 3.29Å; N645-G647 PolarHBondContact O-N 3.38Å; G647-C650 PolarHBondContact O-N 2.71Å; G647-F651 WeakPolarHBondContact O-CB 3.32Å; G647-F651 PolarHBondContact O-N 3.06Å; G647-A700 VanDerWaalsContact CA-CB 3.47Å
648	L	94.5	Very high	93.2	Very high	19 Å²	19	6.1 Å²	6.1	10%	0.099	3%	0.031	C	C	.	.	H	α-helix	trans	-61.7	-48	174.4	-73.9	-175.6	0	0	0	111.3	W644 N645 C650 F651 I652 P659 F660 L701	W644-L648 HydrophobicContact CD2-CG 4.44Å; W644-L648 HydrophobicContact CE3-CD1 3.82Å; W644-L648 HydrophobicContact CE3-CG 4.04Å; W644-L648 HydrophobicContact CH2-CD1 3.4Å; W644-L648 VanDerWaalsContact CH2-CD1 3.4Å; W644-L648 HydrophobicContact CH2-CD2 4.02Å; W644-L648 HydrophobicContact CH2-CG 3.87Å; W644-L648 HydrophobicContact CZ2-CD1 4.24Å; W644-L648 HydrophobicContact CZ2-CD2 4.11Å; W644-L648 HydrophobicContact CZ2-CG 4.22Å; W644-L648 HydrophobicContact CZ3-CD1 3.14Å; W644-L648 HydrophobicContact CZ3-CD2 4.43Å; W644-L648 HydrophobicContact CZ3-CG 3.76Å; W644-L648 PolarHBondContact O-N 3.1Å; N645-L648 WeakPolarHBondContact O-CB 3.42Å; N645-L648 PolarHBondContact O-N 3.05Å; L648-C650 VanDerWaalsContact C-N 3.34Å; L648-C650 PolarHBondContact O-N 3.26Å; L648-F651 PolarHBondContact O-N 3.25Å; L648-I652 WeakPolarHBondContact O-CG1 3.18Å; L648-I652 PolarHBondContact O-N 3.24Å; L648-P659 HydrophobicContact CD2-CG 3.37Å; L648-F660 HydrophobicContact CD2-CD2 4.14Å; L648-F660 HydrophobicContact CD2-CE2 3.92Å; L648-L701 HydrophobicContact CD2-CD2 3.86Å; L648-L701 HydrophobicContact CG-CD2 4.05Å
649	L	96.2	Very high	93.3	Very high	4 Å²	4	6.1 Å²	6.1	2%	0.021	3%	0.03	C	C	.	.	H	α-helix	trans	-57.4	-47.9	177.9	179.8	148.6	0	0	0	110.9	I550 I572 V589 F591 V594 N645 L646 I652 L653	I550-L649 HydrophobicContact CD1-CD1 4.21Å; I550-L649 HydrophobicContact CD1-CD2 4.04Å; I550-L649 HydrophobicContact CD1-CG 4.47Å; I572-L649 HydrophobicContact CD1-CD1 4.31Å; I572-L649 HydrophobicContact CD1-CD2 4.24Å; V589-L649 HydrophobicContact CG1-CD1 4.01Å; F591-L649 HydrophobicContact CD1-CD1 4.49Å; F591-L649 HydrophobicContact CD1-CG 4.5Å; F591-L649 HydrophobicContact CE1-CD1 4.49Å; F591-L649 HydrophobicContact CE1-CG 4.04Å; V594-L649 HydrophobicContact CG2-CD1 4.29Å; N645-L649 PolarHBondContact O-N 3.17Å; L646-L649 HydrophobicContact CD1-CD2 4.42Å; L646-L649 PolarHBondContact O-N 3.48Å; L649-I652 PolarHBondContact O-N 2.81Å; L649-L653 HydrophobicContact CD2-CD1 3.6Å; L649-L653 HydrophobicContact CG-CD1 4.1Å; L649-L653 WeakPolarHBondContact O-CB 2.98Å; L649-L653 WeakPolarHBondContact O-CG 3.37Å; L649-L653 PolarHBondContact O-N 3.34Å
650	C	97.2	Very high	93.3	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-61.7	-45.4	176.9	-67.2	0	0	0	0	111.5	V569 L646 G647 L648 I652 L653 L654 T697	V569-C650 VanDerWaalsContact CG2-SG 3.59Å; L646-C650 WeakPolarHBondContact O-CB 3.38Å; L646-C650 PolarHBondContact O-N 3Å; L646-C650 PolarHBondContact O-SG 3.28Å; G647-C650 PolarHBondContact O-N 2.71Å; L648-C650 VanDerWaalsContact C-N 3.34Å; L648-C650 PolarHBondContact O-N 3.26Å; C650-I652 PolarHBondContact O-N 3.49Å; C650-L653 PolarHBondContact O-N 3.38Å; C650-L654 WeakPolarHBondContact O-CB 3.49Å; C650-L654 VanDerWaalsContact O-CG 3.22Å; C650-L654 WeakPolarHBondContact O-CG 3.37Å; C650-L654 PolarHBondContact O-N 2.77Å; C650-T697 HydrophobicContact CB-CG2 4.18Å
651	F	95.9	Very high	93	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-59.7	-48.1	-179.3	-171.1	-75.1	0	0	0	111.6	G647 L648 L653 L654 S655 M657 P659 L680 D681 W684 I685 T697 L701	G647-F651 WeakPolarHBondContact O-CB 3.32Å; G647-F651 PolarHBondContact O-N 3.06Å; L648-F651 PolarHBondContact O-N 3.25Å; F651-L653 VanDerWaalsContact C-N 3.35Å; F651-L654 CarbonylContact O-C 3.55Å; F651-L654 PolarHBondContact O-N 3.09Å; F651-L654 VanDerWaalsContact O-N 3.11Å; F651-S655 WeakPolarHBondContact CD1-OG 3.28Å; F651-S655 WeakPolarHBondContact CE1-OG 2.97Å; F651-S655 WeakPolarHBondContact O-CB 3.4Å; F651-S655 PolarHBondContact O-N 3.19Å; F651-S655 VanDerWaalsContact O-N 3.07Å; F651-S655 PolarHBondContact O-OG 2.96Å; F651-M657 WeakPolarHBondContact CD1-O 3.33Å; F651-P659 HydrophobicContact CB-CB 4.45Å; F651-P659 HydrophobicContact CB-CG 4.1Å; F651-P659 HydrophobicContact CD1-CB 3.56Å; F651-P659 VanDerWaalsContact CD1-CD 3.49Å; F651-P659 HydrophobicContact CD1-CG 3.76Å; F651-P659 HydrophobicContact CD2-CB 3.78Å; F651-P659 HydrophobicContact CD2-CG 4.33Å; F651-P659 VanDerWaalsContact CE1-CA 3.42Å; F651-P659 HydrophobicContact CE1-CB 3.65Å; F651-P659 HydrophobicContact CE1-CG 4.31Å; F651-P659 HydrophobicContact CE2-CB 3.84Å; F651-P659 HydrophobicContact CG-CB 3.65Å; F651-P659 HydrophobicContact CG-CG 3.79Å; F651-P659 HydrophobicContact CZ-CB 3.79Å; F651-L680 HydrophobicContact CD2-CD1 4.2Å; F651-L680 HydrophobicContact CE2-CD1 3.87Å; F651-D681 VanDerWaalsContact CZ-O 3.3Å; F651-D681 WeakPolarHBondContact CZ-O 3.37Å; F651-W684 HydrophobicContact CE1-CB 4.13Å; F651-W684 HydrophobicContact CZ-CB 4.16Å; F651-I685 HydrophobicContact CD2-CD1 3.69Å; F651-I685 HydrophobicContact CD2-CG1 4.11Å; F651-I685 HydrophobicContact CE1-CG1 4.39Å; F651-I685 HydrophobicContact CE2-CD1 3.53Å; F651-I685 HydrophobicContact CE2-CG1 3.74Å; F651-I685 HydrophobicContact CG-CD1 4.48Å; F651-I685 HydrophobicContact CZ-CD1 4.2Å; F651-I685 HydrophobicContact CZ-CG1 3.88Å; F651-T697 HydrophobicContact CB-CG2 3.67Å; F651-T697 HydrophobicContact CD2-CG2 3.99Å; F651-T697 HydrophobicContact CG-CG2 4.32Å; F651-L701 HydrophobicContact CB-CD1 4.07Å; F651-L701 HydrophobicContact CD2-CD1 3.94Å; F651-L701 HydrophobicContact CG-CD1 4.31Å
652	I	95.1	Very high	92.3	Very high	6 Å²	6	11.4 Å²	11.4	3%	0.031	6%	0.059	C	C	.	.	H	α-helix	trans	-65.2	-41.3	-179.3	-68.7	162.1	0	0	0	110.2	F591 L648 L649 C650 L654 S655 G656 M657 L740 F743	F591-I652 HydrophobicContact CE1-CB 4.46Å; F591-I652 HydrophobicContact CE1-CG2 4.2Å; F591-I652 HydrophobicContact CE2-CD1 3.8Å; F591-I652 HydrophobicContact CE2-CG2 4.2Å; F591-I652 HydrophobicContact CZ-CB 3.71Å; F591-I652 HydrophobicContact CZ-CD1 3.6Å; F591-I652 HydrophobicContact CZ-CG1 4.24Å; F591-I652 HydrophobicContact CZ-CG2 3.5Å; L648-I652 WeakPolarHBondContact O-CG1 3.18Å; L648-I652 PolarHBondContact O-N 3.24Å; L649-I652 PolarHBondContact O-N 2.81Å; C650-I652 PolarHBondContact O-N 3.49Å; I652-L654 PolarHBondContact O-N 3.21Å; I652-S655 PolarHBondContact O-N 3.2Å; I652-G656 VanDerWaalsContact O-CA 3.31Å; I652-G656 WeakPolarHBondContact O-CA 3.25Å; I652-G656 PolarHBondContact O-N 2.89Å; I652-M657 VanDerWaalsContact CG1-O 3.31Å; I652-M657 WeakPolarHBondContact CG1-O 3.5Å; I652-L740 HydrophobicContact CG2-CD1 4.16Å; I652-F743 HydrophobicContact CD1-CE2 4.37Å; I652-F743 HydrophobicContact CD1-CZ 3.95Å; I652-F743 HydrophobicContact CG1-CZ 4.43Å; I652-F743 HydrophobicContact CG2-CD1 3.84Å; I652-F743 HydrophobicContact CG2-CD2 4.33Å; I652-F743 HydrophobicContact CG2-CE1 3.61Å; I652-F743 HydrophobicContact CG2-CE2 4.11Å; I652-F743 HydrophobicContact CG2-CG 4.2Å; I652-F743 HydrophobicContact CG2-CZ 3.76Å
653	L	96.3	Very high	91.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-69.6	-16.9	175	-67.7	173	0	0	0	113.4	I550 F554 Y560 L565 F591 L649 C650 F651 L740	I550-L653 HydrophobicContact CD1-CD1 3.59Å; I550-L653 HydrophobicContact CG1-CD1 4.26Å; F554-L653 HydrophobicContact CB-CD2 4.32Å; F554-L653 HydrophobicContact CD1-CD2 4.44Å; F554-L653 HydrophobicContact CD2-CD2 4.44Å; F554-L653 HydrophobicContact CG-CD2 4.16Å; Y560-L653 WeakPolarHBondContact CE2-O 3.4Å; Y560-L653 PolarHBondContact OH-O 2.88Å; L565-L653 HydrophobicContact CD1-CB 3.99Å; L565-L653 HydrophobicContact CD1-CD1 3.46Å; L565-L653 VanDerWaalsContact CD1-CD1 3.46Å; L565-L653 HydrophobicContact CD1-CG 4.36Å; L565-L653 HydrophobicContact CD2-CB 4.08Å; F591-L653 HydrophobicContact CE1-CD2 4.49Å; F591-L653 HydrophobicContact CE1-CG 4.29Å; L649-L653 HydrophobicContact CD2-CD1 3.6Å; L649-L653 HydrophobicContact CG-CD1 4.1Å; L649-L653 WeakPolarHBondContact O-CB 2.98Å; L649-L653 WeakPolarHBondContact O-CG 3.37Å; L649-L653 PolarHBondContact O-N 3.34Å; C650-L653 PolarHBondContact O-N 3.38Å; F651-L653 VanDerWaalsContact C-N 3.35Å; L653-L740 HydrophobicContact CD2-CD1 4.1Å; L653-L740 HydrophobicContact CD2-CD2 3.72Å
654	L	95.9	Very high	90.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-1.9	175.4	-70.2	171.3	0	0	0	113.8	E562 L565 C650 F651 I652 I685 F686 T689 A693 T697 F735	E562-L654 HydrophobicContact CG-CD2 4.3Å; L565-L654 HydrophobicContact CD2-CD1 4.46Å; L565-L654 HydrophobicContact CD2-CD2 3.73Å; L565-L654 HydrophobicContact CD2-CG 3.79Å; C650-L654 WeakPolarHBondContact O-CB 3.49Å; C650-L654 VanDerWaalsContact O-CG 3.22Å; C650-L654 WeakPolarHBondContact O-CG 3.37Å; C650-L654 PolarHBondContact O-N 2.77Å; F651-L654 CarbonylContact O-C 3.55Å; F651-L654 PolarHBondContact O-N 3.09Å; F651-L654 VanDerWaalsContact O-N 3.11Å; I652-L654 PolarHBondContact O-N 3.21Å; L654-I685 HydrophobicContact CB-CG1 4.46Å; L654-I685 HydrophobicContact CB-CG2 4.48Å; L654-F686 WeakPolarHBondContact O-CD2 3.4Å; L654-F686 PolarHBondContact O-N 2.76Å; L654-T689 HydrophobicContact CD1-CG2 4.34Å; L654-T689 HydrophobicContact CD2-CG2 4.02Å; L654-A693 HydrophobicContact CD1-CB 3.99Å; L654-A693 HydrophobicContact CD2-CB 4.43Å; L654-T697 WeakPolarHBondContact CD1-OG1 3.38Å; L654-F735 HydrophobicContact CD2-CE2 3.7Å; L654-F735 HydrophobicContact CD2-CZ 3.8Å
655	S	93.6	Very high	89.9	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.6	-26.1	-173.4	63.7	0	0	0	0	114.9	F651 I652 M657 W684	F651-S655 WeakPolarHBondContact CD1-OG 3.28Å; F651-S655 WeakPolarHBondContact CE1-OG 2.97Å; F651-S655 WeakPolarHBondContact O-CB 3.4Å; F651-S655 PolarHBondContact O-N 3.19Å; F651-S655 VanDerWaalsContact O-N 3.07Å; F651-S655 PolarHBondContact O-OG 2.96Å; I652-S655 PolarHBondContact O-N 3.2Å; S655-M657 PolarHBondContact OG-N 2.9Å; S655-M657 PolarHBondContact OG-O 3.43Å; S655-W684 VanDerWaalsContact CB-O 3.31Å; S655-W684 WeakPolarHBondContact CB-O 3.24Å
656	G	91.1	Very high	89.2	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.01	12%	0.122	C	C	.	.	S	Bend	trans	68.7	17.8	-165.4	0	0	0	0	0	113.6	I652 F743	I652-G656 VanDerWaalsContact O-CA 3.31Å; I652-G656 WeakPolarHBondContact O-CA 3.25Å; I652-G656 PolarHBondContact O-N 2.89Å; G656-F743 WeakPolarHBondContact O-CB 3.34Å
657	M	88.7	Confident	88.6	Confident	30 Å²	30	25.4 Å²	25.4	15%	0.148	15%	0.148	C	C	.	.	S	Bend	trans	-139.9	149.9	-173.9	-66.5	-65.4	-71	0	0	111.7	F651 I652 S655 W684	F651-M657 WeakPolarHBondContact CD1-O 3.33Å; I652-M657 VanDerWaalsContact CG1-O 3.31Å; I652-M657 WeakPolarHBondContact CG1-O 3.5Å; S655-M657 PolarHBondContact OG-N 2.9Å; S655-M657 PolarHBondContact OG-O 3.43Å; M657-W684 HydrophobicContact CB-CB 4.01Å; M657-W684 HydrophobicContact CB-CD2 4.1Å; M657-W684 HydrophobicContact CB-CE3 4.38Å; M657-W684 HydrophobicContact CB-CG 3.94Å; M657-W684 HydrophobicContact CE-CD2 4.22Å; M657-W684 HydrophobicContact CE-CE3 4.17Å; M657-W684 HydrophobicContact CE-CH2 3.88Å; M657-W684 HydrophobicContact CE-CZ2 3.92Å; M657-W684 HydrophobicContact CE-CZ3 4Å; M657-W684 HydrophobicContact CG-CB 4.39Å; M657-W684 HydrophobicContact CG-CD2 3.91Å; M657-W684 HydrophobicContact CG-CE3 3.68Å; M657-W684 HydrophobicContact CG-CG 4.23Å; M657-W684 HydrophobicContact CG-CZ3 4.26Å
658	H	89.3	Confident	87.9	Confident	46 Å²	46	29.6 Å²	29.6	21%	0.213	17%	0.17	C	C	.	.			trans	-75.7	128.4	173.4	-173.2	-81.9	0	0	0	110.5	F660 A661 V671	H658-F660 AromaticContact CE1-CD2 3.87Å; H658-F660 PolarHBondContact ND1-N 2.92Å; H658-F660 PolarHBondContact O-N 3.43Å; H658-A661 HydrophobicContact CB-CB 3.81Å; H658-A661 PolarHBondContact O-N 2.79Å; H658-V671 WeakPolarHBondContact CE1-CG1 3.36Å
659	P	88.2	Confident	87.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.9	-170	11.3	-22.3	0	0	0	116	L648 F651 L680 D681 L701	L648-P659 HydrophobicContact CD2-CG 3.37Å; F651-P659 HydrophobicContact CB-CB 4.45Å; F651-P659 HydrophobicContact CB-CG 4.1Å; F651-P659 HydrophobicContact CD1-CB 3.56Å; F651-P659 VanDerWaalsContact CD1-CD 3.49Å; F651-P659 HydrophobicContact CD1-CG 3.76Å; F651-P659 HydrophobicContact CD2-CB 3.78Å; F651-P659 HydrophobicContact CD2-CG 4.33Å; F651-P659 VanDerWaalsContact CE1-CA 3.42Å; F651-P659 HydrophobicContact CE1-CB 3.65Å; F651-P659 HydrophobicContact CE1-CG 4.31Å; F651-P659 HydrophobicContact CE2-CB 3.84Å; F651-P659 HydrophobicContact CG-CB 3.65Å; F651-P659 HydrophobicContact CG-CG 3.79Å; F651-P659 HydrophobicContact CZ-CB 3.79Å; P659-L680 HydrophobicContact CB-CD1 3.23Å; P659-L680 HydrophobicContact CG-CD1 4.42Å; P659-D681 PolarHBondContact O-N 3.38Å; P659-D681 VanDerWaalsContact O-N 3.09Å; P659-L701 HydrophobicContact CB-CD1 4.37Å; P659-L701 HydrophobicContact CG-CD1 4.27Å
660	F	89.1	Confident	87	Confident	9 Å²	9	40 Å²	40	4%	0.039	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	6	-177.3	-56.5	-80.7	0	0	0	112.7	W644 L648 H658 V671 N674 V675 L680	W644-F660 AromaticContact CZ2-CE2 3.85Å; W644-F660 HydrophobicContact CZ2-CE2 3.85Å; W644-F660 HydrophobicContact CZ2-CZ 4.46Å; L648-F660 HydrophobicContact CD2-CD2 4.14Å; L648-F660 HydrophobicContact CD2-CE2 3.92Å; H658-F660 AromaticContact CE1-CD2 3.87Å; H658-F660 PolarHBondContact ND1-N 2.92Å; H658-F660 PolarHBondContact O-N 3.43Å; F660-V671 HydrophobicContact CB-CG1 4.1Å; F660-N674 HydrophobicContact CB-CB 4.02Å; F660-N674 WeakPolarHBondContact O-CB 3.47Å; F660-N674 PolarHBondContact O-ND2 2.9Å; F660-V675 HydrophobicContact CB-CG2 3.89Å; F660-V675 HydrophobicContact CD1-CB 4.5Å; F660-V675 HydrophobicContact CD1-CG2 3.97Å; F660-V675 HydrophobicContact CD2-CG2 3.54Å; F660-V675 HydrophobicContact CE1-CG2 4.39Å; F660-V675 HydrophobicContact CE2-CG2 4.01Å; F660-V675 HydrophobicContact CG-CB 4.49Å; F660-V675 HydrophobicContact CG-CG2 3.52Å; F660-V675 HydrophobicContact CZ-CG2 4.4Å; F660-L680 HydrophobicContact CE1-CB 3.9Å; F660-L680 HydrophobicContact CE1-CD1 4.32Å; F660-L680 HydrophobicContact CZ-CB 4.38Å; F660-L680 HydrophobicContact CZ-CD1 4.17Å
661	A	83.9	Confident	86.4	Confident	8 Å²	8	40.8 Å²	40.8	7%	0.066	22%	0.222	C	C	.	.			trans	-89.1	135.2	173.4	0	0	0	0	0	109.5	H658 D663 C666 V671	H658-A661 HydrophobicContact CB-CB 3.81Å; H658-A661 PolarHBondContact O-N 2.79Å; A661-D663 VanDerWaalsContact C-N 3.3Å; A661-D663 WeakPolarHBondContact CB-O 3.44Å; A661-C666 HydrophobicContact CB-CB 3.84Å; A661-V671 HydrophobicContact CB-CG2 4.31Å
662	L	75	Confident	85.8	Confident	103 Å²	103	43.6 Å²	43.6	54%	0.539	24%	0.236	S	C	.	.	S	Bend	trans	-73.7	-29.4	174.9	-63.3	175.2	0	0	0	111.5	K670	L662-K670 HydrophobicContact CD1-CG 4.5Å
663	D	79.5	Confident	85.2	Confident	70 Å²	70	48.9 Å²	48.9	37%	0.374	26%	0.259	S	S	.	.	S	Bend	trans	-158	174	177.1	57.9	53.7	0	0	0	109.3	A661 T665 C666	A661-D663 VanDerWaalsContact C-N 3.3Å; A661-D663 WeakPolarHBondContact CB-O 3.44Å; D663-T665 PolarHBondContact O-N 3.24Å; D663-T665 VanDerWaalsContact O-N 3.14Å; D663-T665 WeakPolarHBondContact OD1-CA 3.41Å; D663-T665 WeakPolarHBondContact OD1-CB 3.42Å; D663-T665 PolarHBondContact OD1-N 3.19Å; D663-T665 PolarHBondContact OD1-OG1 2.98Å; D663-C666 VanDerWaalsContact O-CB 3.27Å; D663-C666 WeakPolarHBondContact O-CB 3.18Å; D663-C666 PolarHBondContact O-N 2.8Å; D663-C666 PolarHBondContact OD1-N 3.46Å
664	A	73	Confident	84.7	Confident	34 Å²	34	49 Å²	49	28%	0.281	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.4	176.9	0	0	0	0	0	114.8	Q746 R750	A664-Q746 VanDerWaalsContact CB-OE1 3.24Å; A664-Q746 PolarHBondContact O-OE1 2.76Å; A664-R750 PolarHBondContact O-NH2 3.43Å
665	T	79	Confident	84.1	Confident	115 Å²	115	49.2 Å²	49.2	71%	0.706	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	2.5	-176.6	59.7	0	0	0	0	113.4	D663 P667	D663-T665 PolarHBondContact O-N 3.24Å; D663-T665 VanDerWaalsContact O-N 3.14Å; D663-T665 WeakPolarHBondContact OD1-CA 3.41Å; D663-T665 WeakPolarHBondContact OD1-CB 3.42Å; D663-T665 PolarHBondContact OD1-N 3.19Å; D663-T665 PolarHBondContact OD1-OG1 2.98Å; T665-P667 WeakPolarHBondContact O-CD 3.36Å
666	C	79.9	Confident	83.5	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.027	27%	0.274	C	S	.	.			trans	-57.9	121.9	-176.9	-172.8	0	0	0	0	110.9	A661 D663 V671	A661-C666 HydrophobicContact CB-CB 3.84Å; D663-C666 VanDerWaalsContact O-CB 3.27Å; D663-C666 WeakPolarHBondContact O-CB 3.18Å; D663-C666 PolarHBondContact O-N 2.8Å; D663-C666 PolarHBondContact OD1-N 3.46Å; C666-V671 HydrophobicContact CB-CG2 4.31Å
667	P	83.6	Confident	83	Confident	84 Å²	84	55.6 Å²	55.6	55%	0.545	30%	0.295	S	S	.	.			trans	-64.5	151	177.4	-22.1	32.9	0	0	0	112.6	T665 E669 K670 V671	T665-P667 WeakPolarHBondContact O-CD 3.36Å; P667-E669 VanDerWaalsContact C-N 3.32Å; P667-E669 PolarHBondContact O-N 2.77Å; P667-K670 WeakPolarHBondContact O-CA 3.38Å; P667-K670 WeakPolarHBondContact O-CB 3.17Å; P667-K670 PolarHBondContact O-N 2.92Å; P667-V671 PolarHBondContact O-N 3.24Å
668	D	82.1	Confident	82.6	Confident	89 Å²	89	57.2 Å²	57.2	48%	0.476	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-38.7	-176.3	-63.8	-19.6	0	0	0	112.3	K670 V671 I672 R750	D668-K670 PolarHBondContact O-N 2.71Å; D668-V671 WeakPolarHBondContact O-CB 3.33Å; D668-V671 PolarHBondContact O-N 2.83Å; D668-V671 VanDerWaalsContact O-N 3.08Å; D668-I672 WeakPolarHBondContact O-CG1 3.12Å; D668-I672 PolarHBondContact O-N 3.25Å; D668-R750 IonicContact OD1-NH1 3.51Å; D668-R750 PolarHBondContact OD1-NH1 3.15Å
669	E	84.4	Confident	82.2	Confident	166 Å²	166	61.6 Å²	61.6	78%	0.776	32%	0.316	S	S	*	.	H	α-helix	trans	-57.1	-37.6	174.3	-64.8	-178.8	179.4	0	0	112.6	P667 K673	P667-E669 VanDerWaalsContact C-N 3.32Å; P667-E669 PolarHBondContact O-N 2.77Å; E669-K673 WeakPolarHBondContact O-CB 3.3Å; E669-K673 PolarHBondContact O-N 3.21Å
670	K	86	Confident	82.1	Confident	75 Å²	75	62.5 Å²	62.5	33%	0.326	32%	0.321	S	S	.	.	H	α-helix	trans	-74.3	-37.9	178.3	-174.5	64.7	175.4	-163.8	0	111.1	L662 P667 D668 K673 N674	L662-K670 HydrophobicContact CD1-CG 4.5Å; P667-K670 WeakPolarHBondContact O-CA 3.38Å; P667-K670 WeakPolarHBondContact O-CB 3.17Å; P667-K670 PolarHBondContact O-N 2.92Å; D668-K670 PolarHBondContact O-N 2.71Å; K670-K673 PolarHBondContact O-N 3.32Å; K670-N674 WeakPolarHBondContact O-CB 3.28Å; K670-N674 VanDerWaalsContact O-CG 3.22Å; K670-N674 PolarHBondContact O-N 2.91Å; K670-N674 PolarHBondContact O-ND2 2.72Å
671	V	86.1	Confident	81.9	Confident	17 Å²	17	64.9 Å²	64.9	10%	0.103	34%	0.335	C	S	.	.	H	α-helix	trans	-60.2	-49.9	173.1	175.3	0	0	0	0	110.1	H658 F660 A661 C666 P667 D668 K673 N674 V675	H658-V671 WeakPolarHBondContact CE1-CG1 3.36Å; F660-V671 HydrophobicContact CB-CG1 4.1Å; A661-V671 HydrophobicContact CB-CG2 4.31Å; C666-V671 HydrophobicContact CB-CG2 4.31Å; P667-V671 PolarHBondContact O-N 3.24Å; D668-V671 WeakPolarHBondContact O-CB 3.33Å; D668-V671 PolarHBondContact O-N 2.83Å; D668-V671 VanDerWaalsContact O-N 3.08Å; V671-K673 VanDerWaalsContact C-N 3.32Å; V671-K673 PolarHBondContact O-N 2.86Å; V671-N674 CarbonylContact O-C 3.52Å; V671-N674 WeakPolarHBondContact O-CA 3.36Å; V671-N674 WeakPolarHBondContact O-CB 3.26Å; V671-N674 PolarHBondContact O-N 2.79Å; V671-V675 WeakPolarHBondContact O-CG2 3.46Å; V671-V675 PolarHBondContact O-N 2.73Å
672	I	82.6	Confident	82	Confident	59 Å²	59	64.8 Å²	64.8	30%	0.303	33%	0.333	S	S	.	.	H	α-helix	trans	-56.7	-47.4	176.2	-68	166	0	0	0	110.1	L632 D668 N674 V675 L676	L632-I672 HydrophobicContact CD1-CG2 4.02Å; L632-I672 HydrophobicContact CD2-CG2 4.28Å; D668-I672 WeakPolarHBondContact O-CG1 3.12Å; D668-I672 PolarHBondContact O-N 3.25Å; I672-N674 VanDerWaalsContact C-N 3.27Å; I672-N674 PolarHBondContact O-N 2.9Å; I672-V675 WeakPolarHBondContact O-CB 3.34Å; I672-V675 PolarHBondContact O-N 2.93Å; I672-L676 HydrophobicContact CG2-CD1 4.04Å; I672-L676 HydrophobicContact CG2-CG 4.43Å; I672-L676 VanDerWaalsContact O-CG 3.32Å; I672-L676 WeakPolarHBondContact O-CG 3.21Å; I672-L676 PolarHBondContact O-N 3.22Å
673	K	82.2	Confident	82.6	Confident	116 Å²	116	65.3 Å²	65.3	50%	0.504	34%	0.336	S	S	.	.	H	α-helix	trans	-59.1	-38.5	175.6	-174.4	170.3	-177.3	169.5	0	112.2	E669 K670 V671 N677	E669-K673 WeakPolarHBondContact O-CB 3.3Å; E669-K673 PolarHBondContact O-N 3.21Å; K670-K673 PolarHBondContact O-N 3.32Å; V671-K673 VanDerWaalsContact C-N 3.32Å; V671-K673 PolarHBondContact O-N 2.86Å; K673-N677 WeakPolarHBondContact CG-ND2 3.32Å; K673-N677 WeakPolarHBondContact O-CB 3.45Å; K673-N677 PolarHBondContact O-N 3.47Å; K673-N677 PolarHBondContact O-ND2 3.18Å
674	N	85.9	Confident	83	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.011	33%	0.332	C	S	.	.	H	α-helix	trans	-70	-38.8	177.8	-72.6	-16.2	0	0	0	112	F660 K670 V671 I672 N677 E678 R679	F660-N674 HydrophobicContact CB-CB 4.02Å; F660-N674 WeakPolarHBondContact O-CB 3.47Å; F660-N674 PolarHBondContact O-ND2 2.9Å; K670-N674 WeakPolarHBondContact O-CB 3.28Å; K670-N674 VanDerWaalsContact O-CG 3.22Å; K670-N674 PolarHBondContact O-N 2.91Å; K670-N674 PolarHBondContact O-ND2 2.72Å; V671-N674 CarbonylContact O-C 3.52Å; V671-N674 WeakPolarHBondContact O-CA 3.36Å; V671-N674 WeakPolarHBondContact O-CB 3.26Å; V671-N674 PolarHBondContact O-N 2.79Å; I672-N674 VanDerWaalsContact C-N 3.27Å; I672-N674 PolarHBondContact O-N 2.9Å; N674-N677 CarbonylContact O-C 3.49Å; N674-N677 PolarHBondContact O-N 2.88Å; N674-E678 PolarHBondContact O-N 2.8Å; N674-R679 HydrophobicContact CB-CB 4.04Å; N674-R679 PolarHBondContact O-N 2.84Å
675	V	83.4	Confident	83.8	Confident	6 Å²	6	64.1 Å²	64.1	4%	0.036	32%	0.32	C	S	.	.	H	α-helix	trans	-58.1	-50.1	172.2	172.1	0	0	0	0	110.4	P629 W644 F660 V671 I672 N677 E678	P629-V675 HydrophobicContact CB-CG1 4.42Å; P629-V675 HydrophobicContact CG-CG1 3.74Å; W644-V675 HydrophobicContact CZ2-CG1 4.03Å; W644-V675 HydrophobicContact CZ2-CG2 4.29Å; F660-V675 HydrophobicContact CB-CG2 3.89Å; F660-V675 HydrophobicContact CD1-CB 4.5Å; F660-V675 HydrophobicContact CD1-CG2 3.97Å; F660-V675 HydrophobicContact CD2-CG2 3.54Å; F660-V675 HydrophobicContact CE1-CG2 4.39Å; F660-V675 HydrophobicContact CE2-CG2 4.01Å; F660-V675 HydrophobicContact CG-CB 4.49Å; F660-V675 HydrophobicContact CG-CG2 3.52Å; F660-V675 HydrophobicContact CZ-CG2 4.4Å; V671-V675 WeakPolarHBondContact O-CG2 3.46Å; V671-V675 PolarHBondContact O-N 2.73Å; I672-V675 WeakPolarHBondContact O-CB 3.34Å; I672-V675 PolarHBondContact O-N 2.93Å; V675-N677 VanDerWaalsContact C-N 3.25Å; V675-N677 PolarHBondContact O-N 3.36Å; V675-E678 PolarHBondContact O-N 2.81Å
676	L	80.4	Confident	84.4	Confident	50 Å²	50	59.7 Å²	59.7	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-30.1	-179.9	-64.7	174.6	0	0	0	112.7	L632 F633 I672 K703	L632-L676 HydrophobicContact CB-CD2 4.2Å; L632-L676 HydrophobicContact CD1-CD2 4.09Å; L632-L676 HydrophobicContact CD1-CG 4.48Å; F633-L676 HydrophobicContact CD2-CD2 4.12Å; F633-L676 HydrophobicContact CE1-CD2 4.35Å; F633-L676 HydrophobicContact CE2-CD2 3.41Å; F633-L676 VanDerWaalsContact CE2-CD2 3.41Å; F633-L676 HydrophobicContact CZ-CD2 3.56Å; I672-L676 HydrophobicContact CG2-CD1 4.04Å; I672-L676 HydrophobicContact CG2-CG 4.43Å; I672-L676 VanDerWaalsContact O-CG 3.32Å; I672-L676 WeakPolarHBondContact O-CG 3.21Å; I672-L676 PolarHBondContact O-N 3.22Å; L676-K703 WeakPolarHBondContact O-CE 3.32Å; L676-K703 PolarHBondContact O-NZ 3.37Å
677	N	81.4	Confident	84.8	Confident	85 Å²	85	64.3 Å²	64.3	46%	0.455	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	13	178.9	-69.5	-56.5	0	0	0	114.1	K673 N674 V675 R679	K673-N677 WeakPolarHBondContact CG-ND2 3.32Å; K673-N677 WeakPolarHBondContact O-CB 3.45Å; K673-N677 PolarHBondContact O-N 3.47Å; K673-N677 PolarHBondContact O-ND2 3.18Å; N674-N677 CarbonylContact O-C 3.49Å; N674-N677 PolarHBondContact O-N 2.88Å; V675-N677 VanDerWaalsContact C-N 3.25Å; V675-N677 PolarHBondContact O-N 3.36Å; N677-R679 HydrophobicContact CB-CG 3.99Å; N677-R679 PolarHBondContact O-N 2.83Å
678	E	79.2	Confident	85.3	Confident	63 Å²	63	63.9 Å²	63.9	29%	0.294	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	31.7	-179.2	-60.2	-173.9	-173.6	0	0	113.8	N674 V675 L680 K703	N674-E678 PolarHBondContact O-N 2.8Å; V675-E678 PolarHBondContact O-N 2.81Å; E678-L680 VanDerWaalsContact C-N 3.25Å; E678-L680 PolarHBondContact O-N 2.92Å; E678-K703 HydrophobicContact CG-CB 3.86Å; E678-K703 HydrophobicContact CG-CD 3.31Å; E678-K703 HydrophobicContact CG-CG 4.19Å; E678-K703 VanDerWaalsContact OE1-CD 3.26Å; E678-K703 WeakPolarHBondContact OE1-CD 3.44Å
679	R	82.4	Confident	85.9	Confident	138 Å²	138	60.4 Å²	60.4	52%	0.521	30%	0.298	S	S	.	.			trans	-86.8	60.3	-178.4	-64.3	-176.8	178.2	-165.6	-3.5	111.9	N674 N677	N674-R679 HydrophobicContact CB-CB 4.04Å; N674-R679 PolarHBondContact O-N 2.84Å; N677-R679 HydrophobicContact CB-CG 3.99Å; N677-R679 PolarHBondContact O-N 2.83Å
680	L	85.3	Confident	86.4	Confident	20 Å²	20	52.6 Å²	52.6	11%	0.105	26%	0.262	C	S	.	.			trans	-77.6	119.6	173.7	176	64.9	0	0	0	109.8	L153 F651 P659 F660 E678 V682 T698 L701	L153-L680 HydrophobicContact CD1-CD2 3.86Å; F651-L680 HydrophobicContact CD2-CD1 4.2Å; F651-L680 HydrophobicContact CE2-CD1 3.87Å; P659-L680 HydrophobicContact CB-CD1 3.23Å; P659-L680 HydrophobicContact CG-CD1 4.42Å; F660-L680 HydrophobicContact CE1-CB 3.9Å; F660-L680 HydrophobicContact CE1-CD1 4.32Å; F660-L680 HydrophobicContact CZ-CB 4.38Å; F660-L680 HydrophobicContact CZ-CD1 4.17Å; E678-L680 VanDerWaalsContact C-N 3.25Å; E678-L680 PolarHBondContact O-N 2.92Å; L680-V682 HydrophobicContact CD2-CG1 4Å; L680-V682 HydrophobicContact CG-CG1 4.05Å; L680-T698 HydrophobicContact CD2-CG2 4.36Å; L680-L701 HydrophobicContact CD1-CD1 4Å; L680-L701 HydrophobicContact CD2-CB 4.42Å; L680-L701 HydrophobicContact CD2-CD1 4.46Å
681	D	85.1	Confident	86.8	Confident	59 Å²	59	53.3 Å²	53.3	32%	0.316	27%	0.266	S	S	.	.			trans	-99.9	92	176.3	-170.3	-2.2	0	0	0	111.7	F651 P659 N683	F651-D681 VanDerWaalsContact CZ-O 3.3Å; F651-D681 WeakPolarHBondContact CZ-O 3.37Å; P659-D681 PolarHBondContact O-N 3.38Å; P659-D681 VanDerWaalsContact O-N 3.09Å; D681-N683 PolarHBondContact O-N 3.28Å; D681-N683 VanDerWaalsContact OD1-CB 3.22Å; D681-N683 WeakPolarHBondContact OD1-CB 3.39Å; D681-N683 PolarHBondContact OD1-N 2.85Å; D681-N683 PolarHBondContact OD1-ND2 3.21Å
682	V	86.5	Confident	87.3	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.036	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-67.5	-10.5	178.6	-62.7	0	0	0	0	113.8	L680 W684 I685 L694 T698	L680-V682 HydrophobicContact CD2-CG1 4Å; L680-V682 HydrophobicContact CG-CG1 4.05Å; V682-W684 PolarHBondContact O-N 2.85Å; V682-I685 WeakPolarHBondContact O-CB 3.4Å; V682-I685 PolarHBondContact O-N 3.5Å; V682-L694 HydrophobicContact CB-CD1 4.39Å; V682-L694 HydrophobicContact CG1-CD1 4.42Å; V682-T698 HydrophobicContact CG1-CG2 4.03Å
683	N	86.9	Confident	88	Confident	114 Å²	114	50.6 Å²	50.6	61%	0.61	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-70.7	-17.8	-177.8	-59.8	-58.3	0	0	0	113	D681 I685	D681-N683 PolarHBondContact O-N 3.28Å; D681-N683 VanDerWaalsContact OD1-CB 3.22Å; D681-N683 WeakPolarHBondContact OD1-CB 3.39Å; D681-N683 PolarHBondContact OD1-N 2.85Å; D681-N683 PolarHBondContact OD1-ND2 3.21Å; N683-I685 VanDerWaalsContact C-N 3.27Å; N683-I685 PolarHBondContact O-N 3.04Å
684	W	87	Confident	88.6	Confident	75 Å²	75	45.6 Å²	45.6	28%	0.284	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-66	-29.6	173	-69.8	117.7	0	0	0	113.3	F651 S655 M657 V682 F686	F651-W684 HydrophobicContact CE1-CB 4.13Å; F651-W684 HydrophobicContact CZ-CB 4.16Å; S655-W684 VanDerWaalsContact CB-O 3.31Å; S655-W684 WeakPolarHBondContact CB-O 3.24Å; M657-W684 HydrophobicContact CB-CB 4.01Å; M657-W684 HydrophobicContact CB-CD2 4.1Å; M657-W684 HydrophobicContact CB-CE3 4.38Å; M657-W684 HydrophobicContact CB-CG 3.94Å; M657-W684 HydrophobicContact CE-CD2 4.22Å; M657-W684 HydrophobicContact CE-CE3 4.17Å; M657-W684 HydrophobicContact CE-CH2 3.88Å; M657-W684 HydrophobicContact CE-CZ2 3.92Å; M657-W684 HydrophobicContact CE-CZ3 4Å; M657-W684 HydrophobicContact CG-CB 4.39Å; M657-W684 HydrophobicContact CG-CD2 3.91Å; M657-W684 HydrophobicContact CG-CE3 3.68Å; M657-W684 HydrophobicContact CG-CG 4.23Å; M657-W684 HydrophobicContact CG-CZ3 4.26Å; V682-W684 PolarHBondContact O-N 2.85Å; W684-F686 PolarHBondContact O-N 3.5Å
685	I	90.5	Very high	89	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.015	26%	0.255	C	S	.	.	S	Bend	trans	-63.3	132.3	178.5	-70.6	174.7	0	0	0	109.4	R146 F651 L654 V682 N683 S687 T689 L694	R146-I685 PolarHBondContact NH1-O 2.96Å; F651-I685 HydrophobicContact CD2-CD1 3.69Å; F651-I685 HydrophobicContact CD2-CG1 4.11Å; F651-I685 HydrophobicContact CE1-CG1 4.39Å; F651-I685 HydrophobicContact CE2-CD1 3.53Å; F651-I685 HydrophobicContact CE2-CG1 3.74Å; F651-I685 HydrophobicContact CG-CD1 4.48Å; F651-I685 HydrophobicContact CZ-CD1 4.2Å; F651-I685 HydrophobicContact CZ-CG1 3.88Å; L654-I685 HydrophobicContact CB-CG1 4.46Å; L654-I685 HydrophobicContact CB-CG2 4.48Å; V682-I685 WeakPolarHBondContact O-CB 3.4Å; V682-I685 PolarHBondContact O-N 3.5Å; N683-I685 VanDerWaalsContact C-N 3.27Å; N683-I685 PolarHBondContact O-N 3.04Å; I685-S687 PolarHBondContact O-N 2.9Å; I685-T689 VanDerWaalsContact CG2-CB 3.47Å; I685-T689 HydrophobicContact CG2-CG2 3.63Å; I685-T689 WeakPolarHBondContact CG2-OG1 3.42Å; I685-L694 HydrophobicContact CD1-CD1 3.52Å
686	F	91.1	Very high	89.7	Confident	22 Å²	22	52 Å²	52	10%	0.096	25%	0.253	C	S	.	.			trans	-52.3	141.2	-176.7	-69	-73.1	0	0	0	111.8	R146 L654 W684 N688 T689 F735 R739	R146-F686 PolarHBondContact NH2-O 3.23Å; L654-F686 WeakPolarHBondContact O-CD2 3.4Å; L654-F686 PolarHBondContact O-N 2.76Å; W684-F686 PolarHBondContact O-N 3.5Å; F686-N688 VanDerWaalsContact CB-OD1 3.29Å; F686-N688 WeakPolarHBondContact CB-OD1 3.28Å; F686-N688 PolarHBondContact O-N 2.96Å; F686-T689 VanDerWaalsContact O-CB 3.27Å; F686-T689 WeakPolarHBondContact O-CB 3.25Å; F686-T689 PolarHBondContact O-N 2.83Å; F686-T689 PolarHBondContact O-OG1 3.17Å; F686-F735 HydrophobicContact CB-CD1 3.77Å; F686-F735 HydrophobicContact CB-CE1 3.8Å; F686-F735 HydrophobicContact CD2-CB 4.06Å; F686-F735 AromaticContact CD2-CD1 3.32Å; F686-F735 HydrophobicContact CD2-CD1 3.32Å; F686-F735 AromaticContact CD2-CE1 3.95Å; F686-F735 HydrophobicContact CD2-CE1 3.95Å; F686-F735 AromaticContact CD2-CG 3.85Å; F686-F735 HydrophobicContact CD2-CG 3.85Å; F686-F735 HydrophobicContact CE2-CB 3.92Å; F686-F735 HydrophobicContact CE2-CD1 4.09Å; F686-F735 HydrophobicContact CE2-CG 4.2Å; F686-F735 AromaticContact CG-CD1 3.74Å; F686-F735 HydrophobicContact CG-CD1 3.74Å; F686-F735 HydrophobicContact CG-CE1 4.24Å; F686-R739 HydrophobicContact CE1-CG 4.48Å; F686-R739 HydrophobicContact CZ-CB 4.39Å; F686-R739 HydrophobicContact CZ-CG 4.3Å
687	S	89.6	Confident	90.4	Very high	102 Å²	102	49.6 Å²	49.6	71%	0.713	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-35.5	-176.3	51.2	0	0	0	0	113	R146 I685	R146-S687 VanDerWaalsContact NH2-C 3.32Å; R146-S687 PolarHBondContact NH2-O 2.94Å; I685-S687 PolarHBondContact O-N 2.9Å
688	N	92.8	Very high	90.9	Very high	75 Å²	75	45.9 Å²	45.9	40%	0.401	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.8	-179.4	68.2	-27.9	0	0	0	114.9	F686 I733 R734 F735	F686-N688 VanDerWaalsContact CB-OD1 3.29Å; F686-N688 WeakPolarHBondContact CB-OD1 3.28Å; F686-N688 PolarHBondContact O-N 2.96Å; N688-I733 WeakPolarHBondContact O-CG2 2.98Å; N688-R734 PolarHBondContact ND2-O 2.92Å; N688-F735 WeakPolarHBondContact OD1-CE1 3.44Å
689	T	94.9	Very high	91.5	Very high	15 Å²	15	45.2 Å²	45.2	9%	0.092	22%	0.219	C	C	.	.			trans	-59.9	139.2	175	-54.8	0	0	0	0	110.7	L654 I685 F686 A693 F735	L654-T689 HydrophobicContact CD1-CG2 4.34Å; L654-T689 HydrophobicContact CD2-CG2 4.02Å; I685-T689 VanDerWaalsContact CG2-CB 3.47Å; I685-T689 HydrophobicContact CG2-CG2 3.63Å; I685-T689 WeakPolarHBondContact CG2-OG1 3.42Å; F686-T689 VanDerWaalsContact O-CB 3.27Å; F686-T689 WeakPolarHBondContact O-CB 3.25Å; F686-T689 PolarHBondContact O-N 2.83Å; F686-T689 PolarHBondContact O-OG1 3.17Å; T689-A693 HydrophobicContact CG2-CB 3.8Å; T689-F735 HydrophobicContact CG2-CZ 4.37Å; T689-F735 WeakPolarHBondContact OG1-CE1 3.27Å
690	S	95.3	Very high	92.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	19%	0.194	C	C	.	.			trans	-65.5	147.1	178.8	73.8	0	0	0	0	111.6	E562 E692 A693 L694	E562-S690 VanDerWaalsContact CD-OG 3.31Å; E562-S690 WeakPolarHBondContact OE1-CB 3.39Å; E562-S690 PolarHBondContact OE1-N 2.82Å; E562-S690 PolarHBondContact OE1-OG 2.78Å; E562-S690 WeakPolarHBondContact OE2-CB 3.33Å; E562-S690 PolarHBondContact OE2-OG 2.91Å; S690-E692 PolarHBondContact O-N 3.09Å; S690-A693 PolarHBondContact O-N 2.88Å; S690-A693 VanDerWaalsContact OG-CB 3.3Å; S690-A693 WeakPolarHBondContact OG-CB 3.23Å; S690-A693 PolarHBondContact OG-N 2.87Å; S690-L694 PolarHBondContact O-N 3.1Å
691	Q	93.5	Very high	92.3	Very high	91 Å²	91	38 Å²	38	43%	0.425	19%	0.191	S	C	.	.	H	α-helix	trans	-58.7	-34.8	172.4	-71.9	166.6	-6.7	0	0	111	E145 R695	E145-Q691 PolarHBondContact OE2-NE2 3.2Å; Q691-R695 WeakPolarHBondContact O-CB 3.23Å; Q691-R695 PolarHBondContact O-N 3.1Å
692	E	96.8	Very high	92.3	Very high	19 Å²	19	37.3 Å²	37.3	9%	0.089	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-45.9	176.9	-66.3	82.9	-179.9	0	0	112.2	S690 R695 F696 H717 K718 W719 M726 R729	S690-E692 PolarHBondContact O-N 3.09Å; E692-R695 PolarHBondContact O-N 3.12Å; E692-F696 WeakPolarHBondContact O-CB 3.45Å; E692-F696 PolarHBondContact O-N 2.78Å; E692-H717 PolarHBondContact O-CE1 3.29Å; E692-H717 VanDerWaalsContact O-CE1 3.26Å; E692-K718 HydrophobicContact CG-CB 4.4Å; E692-K718 HydrophobicContact CG-CD 3.87Å; E692-K718 HydrophobicContact CG-CG 4.12Å; E692-K718 WeakPolarHBondContact OE1-CE 3.32Å; E692-K718 IonicContact OE1-NZ 2.76Å; E692-K718 PolarHBondContact OE1-NZ 3.24Å; E692-W719 HydrophobicContact CB-CB 3.81Å; E692-W719 HydrophobicContact CB-CG 4.25Å; E692-M726 HydrophobicContact CB-CE 4.04Å; E692-M726 HydrophobicContact CB-SD 4.3Å; E692-M726 HydrophobicContact CG-CE 4.26Å; E692-M726 HydrophobicContact CG-SD 3.93Å; E692-R729 IonicContact OE2-NE 3.39Å; E692-R729 PolarHBondContact OE2-NE 3.47Å
693	A	97.1	Very high	92.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-44	176.5	0	0	0	0	0	112	L654 T689 S690 R695 F696 T697 W719	L654-A693 HydrophobicContact CD1-CB 3.99Å; L654-A693 HydrophobicContact CD2-CB 4.43Å; T689-A693 HydrophobicContact CG2-CB 3.8Å; S690-A693 PolarHBondContact O-N 2.88Å; S690-A693 VanDerWaalsContact OG-CB 3.3Å; S690-A693 WeakPolarHBondContact OG-CB 3.23Å; S690-A693 PolarHBondContact OG-N 2.87Å; A693-R695 PolarHBondContact O-N 2.98Å; A693-F696 PolarHBondContact O-N 2.94Å; A693-T697 WeakPolarHBondContact O-CB 3.4Å; A693-T697 PolarHBondContact O-N 3.14Å; A693-T697 PolarHBondContact O-OG1 2.93Å; A693-W719 HydrophobicContact CB-CD2 4.06Å; A693-W719 VanDerWaalsContact CB-CE2 3.48Å; A693-W719 HydrophobicContact CB-CG 4.26Å; A693-W719 HydrophobicContact CB-CZ2 3.82Å; A693-W719 VanDerWaalsContact CB-NE1 3.34Å
694	L	95.2	Very high	91.6	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-45.4	176.5	178	61.9	0	0	0	111.1	R146 F149 V682 I685 S690 T697 T698	R146-L694 HydrophobicContact CG-CD2 4.5Å; F149-L694 HydrophobicContact CD2-CD2 4.35Å; V682-L694 HydrophobicContact CB-CD1 4.39Å; V682-L694 HydrophobicContact CG1-CD1 4.42Å; I685-L694 HydrophobicContact CD1-CD1 3.52Å; S690-L694 PolarHBondContact O-N 3.1Å; L694-T697 PolarHBondContact O-N 2.69Å; L694-T698 HydrophobicContact CD1-CG2 4.02Å; L694-T698 WeakPolarHBondContact O-CB 3.39Å; L694-T698 VanDerWaalsContact O-CG2 3.3Å; L694-T698 WeakPolarHBondContact O-CG2 3.12Å; L694-T698 PolarHBondContact O-N 3.28Å; L694-T698 PolarHBondContact O-OG1 3.11Å
695	R	94.8	Very high	91.1	Very high	142 Å²	142	36.8 Å²	36.8	54%	0.536	18%	0.177	S	C	.	.	H	α-helix	trans	-64.6	-44.4	178.4	-176.2	175.5	178.1	179	-2	111.7	F149 Q691 E692 A693 T697 T698 L699	F149-R695 HydrophobicContact CE1-CB 4.4Å; F149-R695 HydrophobicContact CE1-CG 4.34Å; F149-R695 HydrophobicContact CZ-CB 4.28Å; F149-R695 HydrophobicContact CZ-CG 4.44Å; Q691-R695 WeakPolarHBondContact O-CB 3.23Å; Q691-R695 PolarHBondContact O-N 3.1Å; E692-R695 PolarHBondContact O-N 3.12Å; A693-R695 PolarHBondContact O-N 2.98Å; R695-T697 PolarHBondContact O-N 3.09Å; R695-T698 WeakPolarHBondContact CA-OG1 3.26Å; R695-T698 PolarHBondContact O-OG1 2.88Å; R695-T698 VanDerWaalsContact O-OG1 3.12Å; R695-L699 HydrophobicContact CG-CD1 3.91Å; R695-L699 HydrophobicContact CG-CG 4.38Å; R695-L699 WeakPolarHBondContact O-CB 3.28Å; R695-L699 WeakPolarHBondContact O-CG 3.45Å; R695-L699 PolarHBondContact O-N 3.24Å
696	F	97.3	Very high	90.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.5	-52.9	175.3	179	-87	0	0	0	110.7	V569 L573 L646 E692 A693 T698 L699 A700 M709 H717 W719 L720	V569-F696 HydrophobicContact CG1-CE1 3.82Å; V569-F696 HydrophobicContact CG1-CE2 4.4Å; V569-F696 HydrophobicContact CG1-CZ 3.53Å; L573-F696 HydrophobicContact CD1-CE2 4.12Å; L573-F696 HydrophobicContact CD1-CZ 3.99Å; L646-F696 HydrophobicContact CD2-CZ 4.28Å; E692-F696 WeakPolarHBondContact O-CB 3.45Å; E692-F696 PolarHBondContact O-N 2.78Å; A693-F696 PolarHBondContact O-N 2.94Å; F696-T698 PolarHBondContact O-N 3.16Å; F696-L699 PolarHBondContact O-N 2.93Å; F696-A700 PolarHBondContact O-N 3.22Å; F696-M709 HydrophobicContact CD1-CE 3.8Å; F696-M709 HydrophobicContact CD2-CE 3.7Å; F696-M709 HydrophobicContact CD2-SD 4Å; F696-M709 HydrophobicContact CE1-CE 3.62Å; F696-M709 HydrophobicContact CE2-CE 3.55Å; F696-M709 HydrophobicContact CE2-SD 4.01Å; F696-M709 HydrophobicContact CG-CE 3.84Å; F696-M709 HydrophobicContact CZ-CE 3.5Å; F696-M709 VanDerWaalsContact CZ-CE 3.5Å; F696-M709 WeakPolarHBondContact O-CE 3.41Å; F696-H717 HydrophobicContact CD2-CB 3.85Å; F696-H717 AromaticContact CD2-CG 3.78Å; F696-H717 AromaticContact CD2-ND1 3.82Å; F696-H717 HydrophobicContact CE2-CB 4.36Å; F696-W719 HydrophobicContact CB-CB 4.34Å; F696-W719 HydrophobicContact CB-CD2 4.32Å; F696-W719 HydrophobicContact CB-CE3 3.68Å; F696-W719 HydrophobicContact CB-CZ3 4.33Å; F696-W719 AromaticContact CD1-CE3 3.54Å; F696-W719 HydrophobicContact CD1-CE3 3.54Å; F696-W719 AromaticContact CD1-CZ3 3.42Å; F696-W719 HydrophobicContact CD1-CZ3 3.42Å; F696-W719 VanDerWaalsContact CD1-CZ3 3.42Å; F696-W719 AromaticContact CD2-CE3 3.88Å; F696-W719 HydrophobicContact CD2-CE3 3.88Å; F696-W719 HydrophobicContact CD2-CZ3 4.49Å; F696-W719 HydrophobicContact CE1-CE3 4.12Å; F696-W719 AromaticContact CE1-CZ3 3.75Å; F696-W719 HydrophobicContact CE1-CZ3 3.75Å; F696-W719 HydrophobicContact CE2-CE3 4.39Å; F696-W719 HydrophobicContact CG-CD2 4.47Å; F696-W719 AromaticContact CG-CE3 3.42Å; F696-W719 HydrophobicContact CG-CE3 3.42Å; F696-W719 VanDerWaalsContact CG-CE3 3.42Å; F696-W719 AromaticContact CG-CZ3 3.84Å; F696-W719 HydrophobicContact CG-CZ3 3.84Å; F696-W719 HydrophobicContact CZ-CE3 4.5Å; F696-W719 HydrophobicContact CZ-CZ3 4.4Å; F696-L720 HydrophobicContact CE2-CD1 3.91Å; F696-L720 HydrophobicContact CE2-CG 4.44Å; F696-L720 HydrophobicContact CZ-CD1 4.37Å
697	T	95.8	Very high	89.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-43.8	-176.2	-56.2	0	0	0	0	111.7	C650 F651 L654 A693 L694 R695 A700 L701	C650-T697 HydrophobicContact CB-CG2 4.18Å; F651-T697 HydrophobicContact CB-CG2 3.67Å; F651-T697 HydrophobicContact CD2-CG2 3.99Å; F651-T697 HydrophobicContact CG-CG2 4.32Å; L654-T697 WeakPolarHBondContact CD1-OG1 3.38Å; A693-T697 WeakPolarHBondContact O-CB 3.4Å; A693-T697 PolarHBondContact O-N 3.14Å; A693-T697 PolarHBondContact O-OG1 2.93Å; L694-T697 PolarHBondContact O-N 2.69Å; R695-T697 PolarHBondContact O-N 3.09Å; T697-A700 PolarHBondContact O-N 3.32Å; T697-L701 HydrophobicContact CG2-CD1 4.11Å; T697-L701 WeakPolarHBondContact O-CG 3.47Å; T697-L701 PolarHBondContact O-N 3.44Å
698	T	92	Very high	89.8	Confident	7 Å²	7	43.1 Å²	43.1	4%	0.043	19%	0.189	C	C	.	.	H	α-helix	trans	-70.8	-30.5	179	52.3	0	0	0	0	113.3	L680 V682 L694 R695 F696 L701 K702	L680-T698 HydrophobicContact CD2-CG2 4.36Å; V682-T698 HydrophobicContact CG1-CG2 4.03Å; L694-T698 HydrophobicContact CD1-CG2 4.02Å; L694-T698 WeakPolarHBondContact O-CB 3.39Å; L694-T698 VanDerWaalsContact O-CG2 3.3Å; L694-T698 WeakPolarHBondContact O-CG2 3.12Å; L694-T698 PolarHBondContact O-N 3.28Å; L694-T698 PolarHBondContact O-OG1 3.11Å; R695-T698 WeakPolarHBondContact CA-OG1 3.26Å; R695-T698 PolarHBondContact O-OG1 2.88Å; R695-T698 VanDerWaalsContact O-OG1 3.12Å; F696-T698 PolarHBondContact O-N 3.16Å; T698-L701 PolarHBondContact O-N 3.08Å; T698-K702 PolarHBondContact O-N 3.17Å
699	L	92.1	Very high	89.6	Confident	48 Å²	48	40.1 Å²	40.1	25%	0.251	17%	0.173	S	C	.	.	H	α-helix	trans	-68.5	-35.9	171.7	-75.2	171.9	0	0	0	112.3	R695 F696 M709	R695-L699 HydrophobicContact CG-CD1 3.91Å; R695-L699 HydrophobicContact CG-CG 4.38Å; R695-L699 WeakPolarHBondContact O-CB 3.28Å; R695-L699 WeakPolarHBondContact O-CG 3.45Å; R695-L699 PolarHBondContact O-N 3.24Å; F696-L699 PolarHBondContact O-N 2.93Å; L699-M709 HydrophobicContact CB-CB 4.33Å; L699-M709 HydrophobicContact CB-CG 4.28Å; L699-M709 HydrophobicContact CB-SD 4.08Å; L699-M709 PolarHBondContact O-N 3.15Å
700	A	93.6	Very high	89.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-37.9	171.6	0	0	0	0	0	112.5	I643 G647 F696 T697 K702 R708 M709	I643-A700 HydrophobicContact CG2-CB 3.82Å; I643-A700 WeakPolarHBondContact O-CB 3.21Å; G647-A700 VanDerWaalsContact CA-CB 3.47Å; F696-A700 PolarHBondContact O-N 3.22Å; T697-A700 PolarHBondContact O-N 3.32Å; A700-K702 VanDerWaalsContact C-N 3.29Å; A700-K702 PolarHBondContact O-N 2.86Å; A700-R708 WeakPolarHBondContact O-CD 3.38Å; A700-R708 VanDerWaalsContact O-CG 3.25Å; A700-R708 WeakPolarHBondContact O-CG 3.43Å; A700-M709 HydrophobicContact CB-CE 3.44Å; A700-M709 VanDerWaalsContact CB-CE 3.44Å
701	L	91.4	Very high	89.2	Confident	7 Å²	7	41 Å²	41	4%	0.037	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	9.8	-175.6	-69.6	177.4	0	0	0	114.7	W644 L648 F651 P659 L680 T697 T698 K703	W644-L701 HydrophobicContact CD2-CD2 4.44Å; W644-L701 HydrophobicContact CG-CD2 4.43Å; L648-L701 HydrophobicContact CD2-CD2 3.86Å; L648-L701 HydrophobicContact CG-CD2 4.05Å; F651-L701 HydrophobicContact CB-CD1 4.07Å; F651-L701 HydrophobicContact CD2-CD1 3.94Å; F651-L701 HydrophobicContact CG-CD1 4.31Å; P659-L701 HydrophobicContact CB-CD1 4.37Å; P659-L701 HydrophobicContact CG-CD1 4.27Å; L680-L701 HydrophobicContact CD1-CD1 4Å; L680-L701 HydrophobicContact CD2-CB 4.42Å; L680-L701 HydrophobicContact CD2-CD1 4.46Å; T697-L701 HydrophobicContact CG2-CD1 4.11Å; T697-L701 WeakPolarHBondContact O-CG 3.47Å; T697-L701 PolarHBondContact O-N 3.44Å; T698-L701 PolarHBondContact O-N 3.08Å; L701-K703 PolarHBondContact O-N 2.83Å
702	K	85.1	Confident	89	Confident	45 Å²	45	39.5 Å²	39.5	20%	0.196	17%	0.171	C	C	.	.			trans	-60.1	123.8	173.8	-73.9	-64.5	-173.4	179.9	0	110.3	L152 L153 T698 A700 R708	L152-K702 PolarHBondContact O-NZ 2.73Å; L152-K702 VanDerWaalsContact O-NZ 3.15Å; L153-K702 HydrophobicContact CD2-CD 3.99Å; T698-K702 PolarHBondContact O-N 3.17Å; A700-K702 VanDerWaalsContact C-N 3.29Å; A700-K702 PolarHBondContact O-N 2.86Å; K702-R708 HydrophobicContact CB-CB 4.44Å; K702-R708 PolarHBondContact O-NE 2.98Å; K702-R708 PolarHBondContact O-NH2 2.85Å; K702-R708 VanDerWaalsContact O-NH2 3.1Å
703	K	81.7	Confident	88.8	Confident	59 Å²	59	43 Å²	43	26%	0.257	19%	0.19	S	C	.	.	S	Bend	trans	-59.4	-49	177.9	-177.4	-177.5	169.7	-165.9	0	111.3	P629 L676 E678 L701 V705 R708	P629-K703 HydrophobicContact CB-CG 3.79Å; P629-K703 HydrophobicContact CG-CG 4.11Å; L676-K703 WeakPolarHBondContact O-CE 3.32Å; L676-K703 PolarHBondContact O-NZ 3.37Å; E678-K703 HydrophobicContact CG-CB 3.86Å; E678-K703 HydrophobicContact CG-CD 3.31Å; E678-K703 HydrophobicContact CG-CG 4.19Å; E678-K703 VanDerWaalsContact OE1-CD 3.26Å; E678-K703 WeakPolarHBondContact OE1-CD 3.44Å; L701-K703 PolarHBondContact O-N 2.83Å; K703-V705 PolarHBondContact O-N 2.82Å; K703-R708 PolarHBondContact O-NH2 3.43Å
704	R	75.6	Confident	88.7	Confident	111 Å²	111	43 Å²	43	42%	0.419	19%	0.19	S	C	.	.	S	Bend	trans	-73.8	114.5	178.1	-67	178.6	178.4	-170.8	-9.2	110.1	N156 K706 Y707	N156-R704 PolarHBondContact OD1-NH1 3.47Å; R704-K706 PolarHBondContact O-N 3.24Å; R704-K706 VanDerWaalsContact O-N 3.13Å; R704-Y707 HydrophobicContact CB-CD2 3.77Å; R704-Y707 HydrophobicContact CB-CE2 4.3Å; R704-Y707 PolarHBondContact O-N 2.98Å
705	V	77.3	Confident	88.7	Confident	13 Å²	13	43.7 Å²	43.7	8%	0.079	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-48.8	-40.7	179.2	177.9	0	0	0	0	112.4	E630 L640 K703 Y707 R708	E630-V705 HydrophobicContact CB-CG2 4.03Å; E630-V705 HydrophobicContact CG-CG2 4.16Å; L640-V705 HydrophobicContact CB-CG1 4.08Å; L640-V705 HydrophobicContact CD1-CG1 3.43Å; L640-V705 VanDerWaalsContact CD1-CG1 3.43Å; L640-V705 WeakPolarHBondContact CD1-O 3.27Å; L640-V705 HydrophobicContact CG-CG1 4.35Å; K703-V705 PolarHBondContact O-N 2.82Å; V705-Y707 PolarHBondContact O-N 2.85Å; V705-Y707 VanDerWaalsContact O-N 3.1Å; V705-R708 WeakPolarHBondContact O-CB 3.44Å; V705-R708 PolarHBondContact O-N 2.8Å
706	K	75	Confident	88.6	Confident	130 Å²	130	40 Å²	40	57%	0.565	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-55.4	-29.7	178.8	177.5	176.9	178.4	-171.6	0	114.5	F181 R704	F181-K706 HydrophobicContact CD2-CG 4.35Å; F181-K706 HydrophobicContact CE1-CB 4.22Å; F181-K706 HydrophobicContact CE1-CG 4.45Å; F181-K706 HydrophobicContact CE2-CB 4.33Å; F181-K706 HydrophobicContact CE2-CD 4.31Å; F181-K706 HydrophobicContact CE2-CG 3.76Å; F181-K706 HydrophobicContact CZ-CB 4.08Å; F181-K706 HydrophobicContact CZ-CG 3.82Å; R704-K706 PolarHBondContact O-N 3.24Å; R704-K706 VanDerWaalsContact O-N 3.13Å
707	Y	81.7	Confident	88.6	Confident	122 Å²	122	41.2 Å²	41.2	48%	0.478	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-102.9	-0	-177.4	-56.3	-53.2	0	0	0	113.1	R704 V705	R704-Y707 HydrophobicContact CB-CD2 3.77Å; R704-Y707 HydrophobicContact CB-CE2 4.3Å; R704-Y707 PolarHBondContact O-N 2.98Å; V705-Y707 PolarHBondContact O-N 2.85Å; V705-Y707 VanDerWaalsContact O-N 3.1Å
708	R	86.7	Confident	88.6	Confident	9 Å²	9	47.5 Å²	47.5	3%	0.034	23%	0.234	C	C	.	.	S	Bend	trans	-80	137.5	178.4	-160.6	176.9	-58.2	153	-0.2	109.4	E630 L640 I643 A700 K702 K703 V705	E630-R708 VanDerWaalsContact CD-NH1 3.34Å; E630-R708 IonicContact OE1-CZ 3.23Å; E630-R708 IonicContact OE1-NH1 2.82Å; E630-R708 PolarHBondContact OE1-NH1 2.82Å; E630-R708 IonicContact OE1-NH2 2.71Å; E630-R708 IonicContact OE2-CZ 3.87Å; E630-R708 IonicContact OE2-NH1 2.91Å; E630-R708 PolarHBondContact OE2-NH1 3.11Å; E630-R708 IonicContact OE2-NH2 3.49Å; E630-R708 PolarHBondContact OE2-NH2 3.37Å; L640-R708 WeakPolarHBondContact O-CD 3.39Å; L640-R708 PolarHBondContact O-NH1 2.92Å; I643-R708 HydrophobicContact CG2-CG 4.12Å; A700-R708 WeakPolarHBondContact O-CD 3.38Å; A700-R708 VanDerWaalsContact O-CG 3.25Å; A700-R708 WeakPolarHBondContact O-CG 3.43Å; K702-R708 HydrophobicContact CB-CB 4.44Å; K702-R708 PolarHBondContact O-NE 2.98Å; K702-R708 PolarHBondContact O-NH2 2.85Å; K702-R708 VanDerWaalsContact O-NH2 3.1Å; K703-R708 PolarHBondContact O-NH2 3.43Å; V705-R708 WeakPolarHBondContact O-CB 3.44Å; V705-R708 PolarHBondContact O-N 2.8Å
709	M	88.6	Confident	88.9	Confident	11 Å²	11	47.2 Å²	47.2	5%	0.054	23%	0.232	C	C	.	.			trans	-66.7	148.7	178.7	68	177.1	168.8	0	0	111.5	L640 I643 F696 L699 A700 D713	L640-M709 WeakPolarHBondContact CD2-O 3.36Å; I643-M709 HydrophobicContact CG2-CE 4.3Å; I643-M709 HydrophobicContact CG2-CG 3.9Å; I643-M709 WeakPolarHBondContact CG2-O 3.22Å; F696-M709 HydrophobicContact CD1-CE 3.8Å; F696-M709 HydrophobicContact CD2-CE 3.7Å; F696-M709 HydrophobicContact CD2-SD 4Å; F696-M709 HydrophobicContact CE1-CE 3.62Å; F696-M709 HydrophobicContact CE2-CE 3.55Å; F696-M709 HydrophobicContact CE2-SD 4.01Å; F696-M709 HydrophobicContact CG-CE 3.84Å; F696-M709 HydrophobicContact CZ-CE 3.5Å; F696-M709 VanDerWaalsContact CZ-CE 3.5Å; F696-M709 WeakPolarHBondContact O-CE 3.41Å; L699-M709 HydrophobicContact CB-CB 4.33Å; L699-M709 HydrophobicContact CB-CG 4.28Å; L699-M709 HydrophobicContact CB-SD 4.08Å; L699-M709 PolarHBondContact O-N 3.15Å; A700-M709 HydrophobicContact CB-CE 3.44Å; A700-M709 VanDerWaalsContact CB-CE 3.44Å; M709-D713 HydrophobicContact CB-CB 3.88Å
710	T	90.3	Very high	89.1	Confident	24 Å²	24	45.4 Å²	45.4	15%	0.147	22%	0.222	C	C	.	.			trans	-83.6	174.2	172.1	63.8	0	0	0	0	111.8	L640 E712 D713 G714	L640-T710 HydrophobicContact CD2-CG2 4.24Å; T710-E712 VanDerWaalsContact C-N 3.29Å; T710-E712 PolarHBondContact O-N 3.35Å; T710-D713 WeakPolarHBondContact CB-OD2 3.47Å; T710-D713 PolarHBondContact N-OD2 3.43Å; T710-D713 PolarHBondContact O-N 2.89Å; T710-D713 PolarHBondContact OG1-N 2.92Å; T710-D713 VanDerWaalsContact OG1-N 3.13Å; T710-D713 PolarHBondContact OG1-OD2 2.77Å; T710-G714 PolarHBondContact O-N 2.88Å
711	T	92.6	Very high	89.2	Confident	13 Å²	13	47.5 Å²	47.5	8%	0.08	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-40.4	170.9	45	0	0	0	0	111.9	L573 L576 Q577 H580 I643 G714 L715	L573-T711 HydrophobicContact CD2-CG2 4.4Å; L576-T711 HydrophobicContact CB-CG2 3.9Å; Q577-T711 HydrophobicContact CB-CG2 4.29Å; H580-T711 WeakPolarHBondContact ND1-CG2 3.27Å; I643-T711 HydrophobicContact CD1-CG2 3.71Å; T711-G714 PolarHBondContact O-N 3.34Å; T711-L715 WeakPolarHBondContact O-CG 3.1Å; T711-L715 PolarHBondContact O-N 3.43Å
712	E	89.4	Confident	89.3	Confident	58 Å²	58	49.5 Å²	49.5	27%	0.271	25%	0.248	S	C	.	.	H	α-helix	trans	-65	-47.2	176.5	-172	64	-158.1	0	0	111.4	Q577 T710 G714 L715 G716	Q577-E712 PolarHBondContact NE2-OE2 2.93Å; T710-E712 VanDerWaalsContact C-N 3.29Å; T710-E712 PolarHBondContact O-N 3.35Å; E712-G714 PolarHBondContact O-N 2.88Å; E712-L715 PolarHBondContact O-N 3.35Å; E712-G716 PolarHBondContact O-N 2.96Å
713	D	91.6	Very high	89.6	Confident	92 Å²	92	49.7 Å²	49.7	49%	0.492	26%	0.255	S	S	.	.	H	α-helix	trans	-58.7	-38.5	174.5	-62.2	-46.7	0	0	0	111.3	M709 T710 H717	M709-D713 HydrophobicContact CB-CB 3.88Å; T710-D713 WeakPolarHBondContact CB-OD2 3.47Å; T710-D713 PolarHBondContact N-OD2 3.43Å; T710-D713 PolarHBondContact O-N 2.89Å; T710-D713 PolarHBondContact OG1-N 2.92Å; T710-D713 VanDerWaalsContact OG1-N 3.13Å; T710-D713 PolarHBondContact OG1-OD2 2.77Å; D713-H717 WeakPolarHBondContact O-CB 3.32Å; D713-H717 PolarHBondContact O-N 2.99Å; D713-H717 VanDerWaalsContact O-N 3.08Å
714	G	95.5	Very high	89.9	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-49.6	176.8	0	0	0	0	0	112.4	T710 T711 E712 G716 H717 L720	T710-G714 PolarHBondContact O-N 2.88Å; T711-G714 PolarHBondContact O-N 3.34Å; E712-G714 PolarHBondContact O-N 2.88Å; G714-G716 VanDerWaalsContact C-N 3.3Å; G714-G716 PolarHBondContact O-N 2.98Å; G714-H717 VanDerWaalsContact O-CB 3.23Å; G714-H717 WeakPolarHBondContact O-CB 3.35Å; G714-H717 PolarHBondContact O-N 2.85Å; G714-H717 VanDerWaalsContact O-N 3.12Å; G714-L720 WeakPolarHBondContact O-CD1 3.23Å
715	L	94.4	Very high	90.7	Very high	26 Å²	26	49.7 Å²	49.7	14%	0.136	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-34	178.5	-73.1	169	0	0	0	112.2	V570 L573 T711 E712 H717	V570-L715 HydrophobicContact CG1-CD2 4.26Å; L573-L715 HydrophobicContact CB-CD2 3.73Å; L573-L715 HydrophobicContact CB-CG 3.93Å; L573-L715 HydrophobicContact CD1-CD2 4.21Å; L573-L715 HydrophobicContact CD1-CG 4.31Å; T711-L715 WeakPolarHBondContact O-CG 3.1Å; T711-L715 PolarHBondContact O-N 3.43Å; E712-L715 PolarHBondContact O-N 3.35Å; L715-H717 VanDerWaalsContact C-N 3.32Å
716	G	92.9	Very high	91.5	Very high	66 Å²	66	49.3 Å²	49.3	68%	0.68	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.9	174.5	0	0	0	0	0	114.7	E712 G714	E712-G716 PolarHBondContact O-N 2.96Å; G714-G716 VanDerWaalsContact C-N 3.3Å; G714-G716 PolarHBondContact O-N 2.98Å
717	H	96.8	Very high	92.4	Very high	25 Å²	25	45.2 Å²	45.2	12%	0.116	25%	0.251	C	S	.	.			trans	-68.8	138.8	-173.6	-167.8	-93.5	0	0	0	111.9	E692 F696 D713 G714 L715 W719 L720	E692-H717 PolarHBondContact O-CE1 3.29Å; E692-H717 VanDerWaalsContact O-CE1 3.26Å; F696-H717 HydrophobicContact CD2-CB 3.85Å; F696-H717 AromaticContact CD2-CG 3.78Å; F696-H717 AromaticContact CD2-ND1 3.82Å; F696-H717 HydrophobicContact CE2-CB 4.36Å; D713-H717 WeakPolarHBondContact O-CB 3.32Å; D713-H717 PolarHBondContact O-N 2.99Å; D713-H717 VanDerWaalsContact O-N 3.08Å; G714-H717 VanDerWaalsContact O-CB 3.23Å; G714-H717 WeakPolarHBondContact O-CB 3.35Å; G714-H717 PolarHBondContact O-N 2.85Å; G714-H717 VanDerWaalsContact O-N 3.12Å; L715-H717 VanDerWaalsContact C-N 3.32Å; H717-W719 VanDerWaalsContact ND1-CB 3.31Å; H717-W719 WeakPolarHBondContact ND1-CB 3.15Å; H717-W719 PolarHBondContact ND1-N 3.06Å; H717-W719 VanDerWaalsContact ND1-N 3.16Å; H717-W719 PolarHBondContact O-N 3.19Å; H717-L720 PolarHBondContact O-N 3.19Å
718	K	96.1	Very high	92.9	Very high	132 Å²	132	46 Å²	46	57%	0.574	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-51.2	-35.9	-178.6	-172.3	-174.9	176.7	-155.3	0	113.1	E692 L720 S721 M726	E692-K718 HydrophobicContact CG-CB 4.4Å; E692-K718 HydrophobicContact CG-CD 3.87Å; E692-K718 HydrophobicContact CG-CG 4.12Å; E692-K718 WeakPolarHBondContact OE1-CE 3.32Å; E692-K718 IonicContact OE1-NZ 2.76Å; E692-K718 PolarHBondContact OE1-NZ 3.24Å; K718-L720 PolarHBondContact O-N 2.64Å; K718-S721 WeakPolarHBondContact O-CB 3.38Å; K718-S721 PolarHBondContact O-N 3.39Å; K718-S721 VanDerWaalsContact O-N 3.09Å; K718-M726 WeakPolarHBondContact O-CG 3.4Å
719	W	97.8	Very high	93.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-55.7	-36.3	177.7	-174.8	44.4	0	0	0	113.1	E562 L565 V569 E692 A693 F696 H717 R730	E562-W719 PolarHBondContact OE2-NE1 3.04Å; L565-W719 HydrophobicContact CD2-CH2 3.82Å; L565-W719 HydrophobicContact CD2-CZ2 4.01Å; L565-W719 HydrophobicContact CG-CH2 3.9Å; L565-W719 HydrophobicContact CG-CZ2 4.2Å; V569-W719 HydrophobicContact CB-CZ3 4.46Å; V569-W719 HydrophobicContact CG1-CZ3 4.16Å; V569-W719 HydrophobicContact CG2-CH2 4.2Å; V569-W719 HydrophobicContact CG2-CZ3 4.17Å; E692-W719 HydrophobicContact CB-CB 3.81Å; E692-W719 HydrophobicContact CB-CG 4.25Å; A693-W719 HydrophobicContact CB-CD2 4.06Å; A693-W719 VanDerWaalsContact CB-CE2 3.48Å; A693-W719 HydrophobicContact CB-CG 4.26Å; A693-W719 HydrophobicContact CB-CZ2 3.82Å; A693-W719 VanDerWaalsContact CB-NE1 3.34Å; F696-W719 HydrophobicContact CB-CB 4.34Å; F696-W719 HydrophobicContact CB-CD2 4.32Å; F696-W719 HydrophobicContact CB-CE3 3.68Å; F696-W719 HydrophobicContact CB-CZ3 4.33Å; F696-W719 AromaticContact CD1-CE3 3.54Å; F696-W719 HydrophobicContact CD1-CE3 3.54Å; F696-W719 AromaticContact CD1-CZ3 3.42Å; F696-W719 HydrophobicContact CD1-CZ3 3.42Å; F696-W719 VanDerWaalsContact CD1-CZ3 3.42Å; F696-W719 AromaticContact CD2-CE3 3.88Å; F696-W719 HydrophobicContact CD2-CE3 3.88Å; F696-W719 HydrophobicContact CD2-CZ3 4.49Å; F696-W719 HydrophobicContact CE1-CE3 4.12Å; F696-W719 AromaticContact CE1-CZ3 3.75Å; F696-W719 HydrophobicContact CE1-CZ3 3.75Å; F696-W719 HydrophobicContact CE2-CE3 4.39Å; F696-W719 HydrophobicContact CG-CD2 4.47Å; F696-W719 AromaticContact CG-CE3 3.42Å; F696-W719 HydrophobicContact CG-CE3 3.42Å; F696-W719 VanDerWaalsContact CG-CE3 3.42Å; F696-W719 AromaticContact CG-CZ3 3.84Å; F696-W719 HydrophobicContact CG-CZ3 3.84Å; F696-W719 HydrophobicContact CZ-CE3 4.5Å; F696-W719 HydrophobicContact CZ-CZ3 4.4Å; H717-W719 VanDerWaalsContact ND1-CB 3.31Å; H717-W719 WeakPolarHBondContact ND1-CB 3.15Å; H717-W719 PolarHBondContact ND1-N 3.06Å; H717-W719 VanDerWaalsContact ND1-N 3.16Å; H717-W719 PolarHBondContact O-N 3.19Å; W719-R730 WeakPolarHBondContact O-CD 3.36Å; W719-R730 PolarHBondContact O-NH1 2.9Å
720	L	97.2	Very high	93.8	Very high	11 Å²	11	50.4 Å²	50.4	6%	0.058	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-96.3	6.5	-177.7	-53.4	-176.2	0	0	0	112.7	V569 V570 L573 F696 G714 H717 K718	V569-L720 HydrophobicContact CB-CD2 4.42Å; V569-L720 HydrophobicContact CG1-CD1 3.94Å; V569-L720 HydrophobicContact CG1-CD2 4.21Å; V570-L720 HydrophobicContact CG2-CB 3.93Å; V570-L720 HydrophobicContact CG2-CD1 3.8Å; V570-L720 HydrophobicContact CG2-CD2 4.17Å; V570-L720 HydrophobicContact CG2-CG 4.17Å; L573-L720 HydrophobicContact CD1-CD1 3.53Å; F696-L720 HydrophobicContact CE2-CD1 3.91Å; F696-L720 HydrophobicContact CE2-CG 4.44Å; F696-L720 HydrophobicContact CZ-CD1 4.37Å; G714-L720 WeakPolarHBondContact O-CD1 3.23Å; H717-L720 PolarHBondContact O-N 3.19Å; K718-L720 PolarHBondContact O-N 2.64Å
721	S	94.6	Very high	94	Very high	44 Å²	44	52.8 Å²	52.8	31%	0.308	28%	0.279	S	S	.	.			trans	-58.2	138.3	178.2	177.5	0	0	0	0	111.8	K718 S723 R730	K718-S721 WeakPolarHBondContact O-CB 3.38Å; K718-S721 PolarHBondContact O-N 3.39Å; K718-S721 VanDerWaalsContact O-N 3.09Å; S721-S723 PolarHBondContact O-N 2.87Å; S721-S723 WeakPolarHBondContact OG-CB 3.31Å; S721-S723 PolarHBondContact OG-N 3.33Å; S721-S723 PolarHBondContact OG-OG 3.11Å; S721-S723 VanDerWaalsContact OG-OG 3.1Å; S721-R730 PolarHBondContact O-NH1 2.68Å; S721-R730 PolarHBondContact O-NH2 2.8Å
722	L	93.9	Very high	94.1	Very high	49 Å²	49	58.3 Å²	58.3	26%	0.257	31%	0.308	S	S	.	.			trans	-82.2	3.1	175.6	-61.9	-179.5	0	0	0	113.9	V273 S288 R290	V273-L722 HydrophobicContact CG1-CB 4.2Å; V273-L722 HydrophobicContact CG1-CD1 4.33Å; V273-L722 HydrophobicContact CG2-CB 4.01Å; S288-L722 WeakPolarHBondContact O-CD1 3.38Å; R290-L722 HydrophobicContact CG-CB 4.24Å; R290-L722 HydrophobicContact CG-CD1 4.32Å; R290-L722 PolarHBondContact NH1-O 2.79Å
723	S	90.8	Very high	94.4	Very high	49 Å²	49	56.5 Å²	56.5	34%	0.343	30%	0.3	S	S	.	.			trans	-58.2	141.5	175.3	64	0	0	0	0	111.3	S721 C725 M726 R727	S721-S723 PolarHBondContact O-N 2.87Å; S721-S723 WeakPolarHBondContact OG-CB 3.31Å; S721-S723 PolarHBondContact OG-N 3.33Å; S721-S723 PolarHBondContact OG-OG 3.11Å; S721-S723 VanDerWaalsContact OG-OG 3.1Å; S723-C725 PolarHBondContact O-N 2.97Å; S723-M726 PolarHBondContact O-N 3.37Å; S723-M726 WeakPolarHBondContact OG-CB 3.49Å; S723-R727 PolarHBondContact O-N 2.96Å
724	D	88.6	Confident	94.5	Very high	65 Å²	65	60 Å²	60	35%	0.348	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-34.2	-178.6	-75.4	-25.3	0	0	0	112.6	R290 R727 R728	R290-D724 IonicContact CZ-OD1 2.92Å; R290-D724 VanDerWaalsContact CZ-OD1 3.23Å; R290-D724 IonicContact NH1-OD1 3.46Å; R290-D724 PolarHBondContact NH1-OD1 3.44Å; R290-D724 IonicContact NH2-OD1 3.25Å; R290-D724 PolarHBondContact NH2-OD1 2.92Å; D724-R727 IonicContact OD1-CZ 2.77Å; D724-R727 IonicContact OD1-NH1 2.67Å; D724-R727 PolarHBondContact OD1-NH1 3.4Å; D724-R727 IonicContact OD1-NH2 2.84Å; D724-R727 PolarHBondContact OD1-NH2 2.86Å; D724-R728 WeakPolarHBondContact O-CB 3.27Å; D724-R728 VanDerWaalsContact O-CG 3.25Å; D724-R728 WeakPolarHBondContact O-CG 3.41Å; D724-R728 PolarHBondContact O-N 2.94Å
725	C	92.5	Very high	94.5	Very high	104 Å²	104	60 Å²	60	70%	0.703	31%	0.306	S	S	*	.	H	α-helix	trans	-61.6	-51.1	176.8	-178.4	0	0	0	0	111.4	S723 R729	S723-C725 PolarHBondContact O-N 2.97Å; C725-R729 WeakPolarHBondContact O-CB 3.32Å; C725-R729 PolarHBondContact O-N 3.2Å; C725-R729 VanDerWaalsContact O-N 3.12Å
726	M	95.5	Very high	94.4	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.03	32%	0.316	C	S	.	.	H	α-helix	trans	-69.2	-40.4	-179	-169.1	67.2	-136.6	0	0	111.7	E692 K718 S723 R729 R730	E692-M726 HydrophobicContact CB-CE 4.04Å; E692-M726 HydrophobicContact CB-SD 4.3Å; E692-M726 HydrophobicContact CG-CE 4.26Å; E692-M726 HydrophobicContact CG-SD 3.93Å; K718-M726 WeakPolarHBondContact O-CG 3.4Å; S723-M726 PolarHBondContact O-N 3.37Å; S723-M726 WeakPolarHBondContact OG-CB 3.49Å; M726-R729 HydrophobicContact CE-CB 4.41Å; M726-R729 HydrophobicContact CE-CG 4.39Å; M726-R729 WeakPolarHBondContact O-CB 3.42Å; M726-R729 PolarHBondContact O-N 3.17Å; M726-R730 HydrophobicContact CE-CG 3.61Å; M726-R730 VanDerWaalsContact CG-NH1 3.29Å; M726-R730 WeakPolarHBondContact O-CG 3.47Å; M726-R730 PolarHBondContact O-N 3.08Å
727	R	93.1	Very high	94.5	Very high	43 Å²	43	58 Å²	58	16%	0.162	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-50.4	177.8	-166.9	-173.1	68.2	-103.1	6.5	111.9	R290 S723 D724 R729 R730 E731	R290-R727 VanDerWaalsContact NH2-NH1 3.19Å; S723-R727 PolarHBondContact O-N 2.96Å; D724-R727 IonicContact OD1-CZ 2.77Å; D724-R727 IonicContact OD1-NH1 2.67Å; D724-R727 PolarHBondContact OD1-NH1 3.4Å; D724-R727 IonicContact OD1-NH2 2.84Å; D724-R727 PolarHBondContact OD1-NH2 2.86Å; R727-R729 PolarHBondContact O-N 3.2Å; R727-R730 WeakPolarHBondContact O-CB 3.48Å; R727-R730 PolarHBondContact O-N 2.73Å; R727-E731 WeakPolarHBondContact CD-OE1 3.42Å; R727-E731 HydrophobicContact CG-CG 4.39Å; R727-E731 WeakPolarHBondContact CG-OE1 3.33Å; R727-E731 IonicContact NE-OE1 3.74Å; R727-E731 PolarHBondContact NE-OE1 3.44Å; R727-E731 WeakPolarHBondContact O-CG 3.29Å; R727-E731 PolarHBondContact O-N 3.3Å
728	R	92.4	Very high	94.3	Very high	140 Å²	140	61.9 Å²	61.9	53%	0.528	30%	0.301	S	S	.	.	H	α-helix	trans	-59	-37.1	177	-71.9	176.6	-168.2	147.9	6.8	111.7	D724 E731 N732	D724-R728 WeakPolarHBondContact O-CB 3.27Å; D724-R728 VanDerWaalsContact O-CG 3.25Å; D724-R728 WeakPolarHBondContact O-CG 3.41Å; D724-R728 PolarHBondContact O-N 2.94Å; R728-E731 PolarHBondContact O-N 2.82Å; R728-N732 WeakPolarHBondContact O-CB 3.21Å; R728-N732 PolarHBondContact O-N 2.95Å; R728-N732 PolarHBondContact O-ND2 3.27Å; R728-N732 VanDerWaalsContact O-ND2 3.14Å
729	R	96.3	Very high	94.1	Very high	109 Å²	109	60.8 Å²	60.8	41%	0.411	29%	0.294	S	S	.	.	H	α-helix	trans	-60.9	-47.3	174.3	-173.2	178	-176.8	83.1	0.7	111	E692 C725 M726 R727 N732 I733	E692-R729 IonicContact OE2-NE 3.39Å; E692-R729 PolarHBondContact OE2-NE 3.47Å; C725-R729 WeakPolarHBondContact O-CB 3.32Å; C725-R729 PolarHBondContact O-N 3.2Å; C725-R729 VanDerWaalsContact O-N 3.12Å; M726-R729 HydrophobicContact CE-CB 4.41Å; M726-R729 HydrophobicContact CE-CG 4.39Å; M726-R729 WeakPolarHBondContact O-CB 3.42Å; M726-R729 PolarHBondContact O-N 3.17Å; R727-R729 PolarHBondContact O-N 3.2Å; R729-N732 PolarHBondContact O-N 2.58Å; R729-I733 HydrophobicContact CG-CD1 4.16Å; R729-I733 WeakPolarHBondContact O-CG1 3.37Å; R729-I733 PolarHBondContact O-N 2.97Å
730	R	97.3	Very high	93.8	Very high	3 Å²	3	60.8 Å²	60.8	1%	0.011	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-39	177.9	-70	-165.3	-57.3	-93.9	-2.1	113.3	E562 E563 S566 W719 S721 M726 R727 N732	E562-R730 HydrophobicContact CB-CB 3.84Å; E562-R730 HydrophobicContact CB-CG 3.91Å; E562-R730 PolarHBondContact N-O 2.9Å; E563-R730 HydrophobicContact CB-CB 3.84Å; E563-R730 PolarHBondContact N-O 3.46Å; E563-R730 IonicContact OE2-CZ 3.43Å; E563-R730 IonicContact OE2-NE 2.61Å; E563-R730 PolarHBondContact OE2-NE 2.99Å; E563-R730 IonicContact OE2-NH2 3.36Å; E563-R730 PolarHBondContact OE2-NH2 3.27Å; S566-R730 PolarHBondContact OG-NE 2.92Å; S566-R730 VanDerWaalsContact OG-NE 3.12Å; W719-R730 WeakPolarHBondContact O-CD 3.36Å; W719-R730 PolarHBondContact O-NH1 2.9Å; S721-R730 PolarHBondContact O-NH1 2.68Å; S721-R730 PolarHBondContact O-NH2 2.8Å; M726-R730 HydrophobicContact CE-CG 3.61Å; M726-R730 VanDerWaalsContact CG-NH1 3.29Å; M726-R730 WeakPolarHBondContact O-CG 3.47Å; M726-R730 PolarHBondContact O-N 3.08Å; R727-R730 WeakPolarHBondContact O-CB 3.48Å; R727-R730 PolarHBondContact O-N 2.73Å; R730-N732 VanDerWaalsContact C-N 3.33Å
731	E	94.1	Very high	93.6	Very high	74 Å²	74	64 Å²	64	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-34.6	176.7	-71.9	166.9	175.9	0	0	112.4	T561 E563 R727 R728	T561-E731 WeakPolarHBondContact CG2-O 3.3Å; E563-E731 HydrophobicContact CB-CG 3.94Å; E563-E731 HydrophobicContact CG-CG 3.92Å; R727-E731 WeakPolarHBondContact CD-OE1 3.42Å; R727-E731 HydrophobicContact CG-CG 4.39Å; R727-E731 WeakPolarHBondContact CG-OE1 3.33Å; R727-E731 IonicContact NE-OE1 3.74Å; R727-E731 PolarHBondContact NE-OE1 3.44Å; R727-E731 WeakPolarHBondContact O-CG 3.29Å; R727-E731 PolarHBondContact O-N 3.3Å; R728-E731 PolarHBondContact O-N 2.82Å
732	N	94.7	Very high	93.4	Very high	129 Å²	129	66 Å²	66	69%	0.69	32%	0.315	S	S	*	.	H	α-helix	trans	-80.9	-23.5	-177.8	-72.4	-22.2	0	0	0	113.6	R728 R729 R730 R734	R728-N732 WeakPolarHBondContact O-CB 3.21Å; R728-N732 PolarHBondContact O-N 2.95Å; R728-N732 PolarHBondContact O-ND2 3.27Å; R728-N732 VanDerWaalsContact O-ND2 3.14Å; R729-N732 PolarHBondContact O-N 2.58Å; R730-N732 VanDerWaalsContact C-N 3.33Å; N732-R734 PolarHBondContact O-N 3.38Å
733	I	96.1	Very high	93.2	Very high	20 Å²	20	64.9 Å²	64.9	10%	0.103	31%	0.308	C	S	.	.			trans	-84	111.7	177.3	-65.3	166.9	0	0	0	108.5	T561 E562 N688 R729 F735	T561-I733 VanDerWaalsContact CA-O 3.26Å; T561-I733 WeakPolarHBondContact CA-O 3.47Å; T561-I733 WeakPolarHBondContact CB-O 3.39Å; E562-I733 HydrophobicContact CG-CB 4.35Å; E562-I733 HydrophobicContact CG-CG2 4.07Å; E562-I733 PolarHBondContact N-O 2.84Å; N688-I733 WeakPolarHBondContact O-CG2 2.98Å; R729-I733 HydrophobicContact CG-CD1 4.16Å; R729-I733 WeakPolarHBondContact O-CG1 3.37Å; R729-I733 PolarHBondContact O-N 2.97Å; I733-F735 HydrophobicContact CG2-CD1 4.49Å; I733-F735 HydrophobicContact CG2-CE1 3.66Å; I733-F735 HydrophobicContact CG2-CE2 4.14Å; I733-F735 HydrophobicContact CG2-CZ 3.47Å; I733-F735 VanDerWaalsContact CG2-CZ 3.47Å
734	R	94.3	Very high	93.1	Very high	164 Å²	164	63.3 Å²	63.3	62%	0.619	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.5	179.5	-68.9	177.5	177.7	-166.5	-1.3	110.9	Y560 T561 N688 N732	Y560-R734 CarbonylContact O-C 3.37Å; Y560-R734 WeakPolarHBondContact O-CA 3.37Å; T561-R734 HydrophobicContact CG2-CG 3.78Å; N688-R734 PolarHBondContact ND2-O 2.92Å; N732-R734 PolarHBondContact O-N 3.38Å
735	F	94.5	Very high	93.1	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.009	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.1	174.6	-52.7	-61.2	0	0	0	109.1	Y559 Y560 E562 L654 F686 N688 T689 I733	Y559-F735 WeakPolarHBondContact CA-O 3.39Å; Y559-F735 WeakPolarHBondContact CB-O 3.1Å; Y560-F735 HydrophobicContact CD2-CB 4.23Å; Y560-F735 AromaticContact CD2-CD2 3.79Å; Y560-F735 HydrophobicContact CD2-CD2 3.79Å; Y560-F735 HydrophobicContact CE1-CB 4.08Å; Y560-F735 HydrophobicContact CE2-CB 3.74Å; Y560-F735 AromaticContact CE2-CD2 3.41Å; Y560-F735 HydrophobicContact CE2-CD2 3.41Å; Y560-F735 VanDerWaalsContact CE2-CD2 3.41Å; Y560-F735 HydrophobicContact CE2-CE2 4.38Å; Y560-F735 AromaticContact CE2-CG 3.98Å; Y560-F735 HydrophobicContact CE2-CG 3.98Å; Y560-F735 PolarHBondContact N-O 3.42Å; Y560-F735 PolarHBondContact O-N 2.79Å; E562-F735 HydrophobicContact CG-CE2 3.56Å; E562-F735 HydrophobicContact CG-CZ 3.71Å; L654-F735 HydrophobicContact CD2-CE2 3.7Å; L654-F735 HydrophobicContact CD2-CZ 3.8Å; F686-F735 HydrophobicContact CB-CD1 3.77Å; F686-F735 HydrophobicContact CB-CE1 3.8Å; F686-F735 HydrophobicContact CD2-CB 4.06Å; F686-F735 AromaticContact CD2-CD1 3.32Å; F686-F735 HydrophobicContact CD2-CD1 3.32Å; F686-F735 AromaticContact CD2-CE1 3.95Å; F686-F735 HydrophobicContact CD2-CE1 3.95Å; F686-F735 AromaticContact CD2-CG 3.85Å; F686-F735 HydrophobicContact CD2-CG 3.85Å; F686-F735 HydrophobicContact CE2-CB 3.92Å; F686-F735 HydrophobicContact CE2-CD1 4.09Å; F686-F735 HydrophobicContact CE2-CG 4.2Å; F686-F735 AromaticContact CG-CD1 3.74Å; F686-F735 HydrophobicContact CG-CD1 3.74Å; F686-F735 HydrophobicContact CG-CE1 4.24Å; N688-F735 WeakPolarHBondContact OD1-CE1 3.44Å; T689-F735 HydrophobicContact CG2-CZ 4.37Å; T689-F735 WeakPolarHBondContact OG1-CE1 3.27Å; I733-F735 HydrophobicContact CG2-CD1 4.49Å; I733-F735 HydrophobicContact CG2-CE1 3.66Å; I733-F735 HydrophobicContact CG2-CE2 4.14Å; I733-F735 HydrophobicContact CG2-CZ 3.47Å; I733-F735 VanDerWaalsContact CG2-CZ 3.47Å
736	S	94.1	Very high	92.7	Very high	48 Å²	48	64.6 Å²	64.6	34%	0.336	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.8	168.4	175	0	0	0	0	109.5	H738	S736-H738 PolarHBondContact O-N 3.33Å; S736-H738 PolarHBondContact OG-N 3.21Å
737	S	93	Very high	92.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-7.5	177.5	-53.8	0	0	0	0	114	F554 K557 E558 Y560 R739 L740 Q741	F554-S737 PolarHBondContact O-OG 3.05Å; F554-S737 VanDerWaalsContact O-OG 3.1Å; K557-S737 WeakPolarHBondContact O-CB 3.27Å; K557-S737 PolarHBondContact O-OG 3Å; E558-S737 PolarHBondContact O-N 3.27Å; E558-S737 PolarHBondContact O-OG 3.05Å; Y560-S737 WeakPolarHBondContact CD1-OG 3.4Å; S737-R739 PolarHBondContact O-N 3.01Å; S737-L740 CarbonylContact O-C 3.55Å; S737-L740 WeakPolarHBondContact O-CA 3.41Å; S737-L740 WeakPolarHBondContact O-CB 3.16Å; S737-L740 PolarHBondContact O-N 3.12Å; S737-Q741 WeakPolarHBondContact O-CG 3.34Å; S737-Q741 PolarHBondContact O-N 3.26Å
738	H	92.6	Very high	91.7	Very high	107 Å²	107	66.9 Å²	66.9	50%	0.495	31%	0.31	S	S	.	.	H	α-helix	trans	-56.5	-47.3	-172.3	-176	60.2	0	0	0	113.6	S736 L740 Q741 L742	S736-H738 PolarHBondContact O-N 3.33Å; S736-H738 PolarHBondContact OG-N 3.21Å; H738-L740 VanDerWaalsContact C-N 3.31Å; H738-L740 PolarHBondContact O-N 3.44Å; H738-Q741 WeakPolarHBondContact O-CB 3.42Å; H738-Q741 PolarHBondContact O-N 3Å; H738-L742 WeakPolarHBondContact O-CG 3.43Å; H738-L742 PolarHBondContact O-N 3.4Å; H738-L742 VanDerWaalsContact O-N 3.12Å
739	R	91.8	Very high	91.1	Very high	110 Å²	110	63.9 Å²	63.9	42%	0.415	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-39.3	177.1	-63.7	-172.4	-162.7	172.2	3.5	111.9	F686 S737 L742 F743	F686-R739 HydrophobicContact CE1-CG 4.48Å; F686-R739 HydrophobicContact CZ-CB 4.39Å; F686-R739 HydrophobicContact CZ-CG 4.3Å; S737-R739 PolarHBondContact O-N 3.01Å; R739-L742 PolarHBondContact O-N 2.83Å; R739-F743 PolarHBondContact O-N 3.16Å
740	L	92.4	Very high	90.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-68.7	-35.3	179.1	-171.4	64.7	0	0	0	111.8	L551 F554 T555 Y560 I652 L653 S737 H738 F743 A744	L551-L740 HydrophobicContact CD1-CD1 3.8Å; L551-L740 HydrophobicContact CD1-CD2 4.46Å; L551-L740 HydrophobicContact CD1-CG 4.02Å; F554-L740 HydrophobicContact CB-CD2 3.59Å; T555-L740 HydrophobicContact CG2-CB 4.37Å; T555-L740 HydrophobicContact CG2-CD2 4.14Å; T555-L740 HydrophobicContact CG2-CG 3.82Å; Y560-L740 HydrophobicContact CE1-CD2 4.05Å; I652-L740 HydrophobicContact CG2-CD1 4.16Å; L653-L740 HydrophobicContact CD2-CD1 4.1Å; L653-L740 HydrophobicContact CD2-CD2 3.72Å; S737-L740 CarbonylContact O-C 3.55Å; S737-L740 WeakPolarHBondContact O-CA 3.41Å; S737-L740 WeakPolarHBondContact O-CB 3.16Å; S737-L740 PolarHBondContact O-N 3.12Å; H738-L740 VanDerWaalsContact C-N 3.31Å; H738-L740 PolarHBondContact O-N 3.44Å; L740-F743 HydrophobicContact CD1-CD1 4.32Å; L740-F743 WeakPolarHBondContact O-CB 3.33Å; L740-F743 PolarHBondContact O-N 3.01Å; L740-A744 WeakPolarHBondContact O-CB 3.37Å; L740-A744 PolarHBondContact O-N 3.02Å
741	Q	92.3	Very high	88.7	Confident	78 Å²	78	68.3 Å²	68.3	36%	0.364	32%	0.324	S	S	.	.	H	α-helix	trans	-63	-42.2	173	-71.9	166.1	-12.6	0	0	111.4	T555 S737 H738 A744 K745	T555-Q741 HydrophobicContact CG2-CG 4.14Å; T555-Q741 PolarHBondContact O-NE2 2.85Å; S737-Q741 WeakPolarHBondContact O-CG 3.34Å; S737-Q741 PolarHBondContact O-N 3.26Å; H738-Q741 WeakPolarHBondContact O-CB 3.42Å; H738-Q741 PolarHBondContact O-N 3Å; Q741-A744 PolarHBondContact O-N 3.37Å; Q741-K745 PolarHBondContact O-N 2.91Å
742	L	91.1	Very high	87.3	Confident	85 Å²	85	69.8 Å²	69.8	45%	0.445	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-44.1	174.6	-67.3	174.6	0	0	0	111.6	H738 R739 K745 Q746	H738-L742 WeakPolarHBondContact O-CG 3.43Å; H738-L742 PolarHBondContact O-N 3.4Å; H738-L742 VanDerWaalsContact O-N 3.12Å; R739-L742 PolarHBondContact O-N 2.83Å; L742-K745 PolarHBondContact O-N 3.39Å; L742-Q746 WeakPolarHBondContact O-CG 3.47Å; L742-Q746 PolarHBondContact O-N 2.94Å
743	F	90.6	Very high	85.3	Confident	27 Å²	27	70.6 Å²	70.6	12%	0.118	34%	0.336	C	S	.	.	H	α-helix	trans	-58.7	-47.3	173.4	175.5	-90.6	0	0	0	111.6	L551 F591 I652 G656 R739 L740 K745 Q746 Y747	L551-F743 HydrophobicContact CD1-CD1 4.42Å; F591-F743 HydrophobicContact CD2-CE1 4.19Å; F591-F743 AromaticContact CE2-CE1 3.69Å; F591-F743 HydrophobicContact CE2-CE1 3.69Å; F591-F743 AromaticContact CE2-CZ 3.91Å; F591-F743 HydrophobicContact CE2-CZ 3.91Å; F591-F743 HydrophobicContact CZ-CE1 4.19Å; I652-F743 HydrophobicContact CD1-CE2 4.37Å; I652-F743 HydrophobicContact CD1-CZ 3.95Å; I652-F743 HydrophobicContact CG1-CZ 4.43Å; I652-F743 HydrophobicContact CG2-CD1 3.84Å; I652-F743 HydrophobicContact CG2-CD2 4.33Å; I652-F743 HydrophobicContact CG2-CE1 3.61Å; I652-F743 HydrophobicContact CG2-CE2 4.11Å; I652-F743 HydrophobicContact CG2-CG 4.2Å; I652-F743 HydrophobicContact CG2-CZ 3.76Å; G656-F743 WeakPolarHBondContact O-CB 3.34Å; R739-F743 PolarHBondContact O-N 3.16Å; L740-F743 HydrophobicContact CD1-CD1 4.32Å; L740-F743 WeakPolarHBondContact O-CB 3.33Å; L740-F743 PolarHBondContact O-N 3.01Å; F743-K745 VanDerWaalsContact C-N 3.34Å; F743-K745 PolarHBondContact O-N 2.69Å; F743-Q746 PolarHBondContact O-N 3.37Å; F743-Q746 VanDerWaalsContact O-N 3.14Å; F743-Y747 HydrophobicContact CZ-CD2 4.47Å; F743-Y747 WeakPolarHBondContact O-CB 3.39Å; F743-Y747 PolarHBondContact O-N 2.97Å
744	A	88.7	Confident	82.9	Confident	16 Å²	16	74.8 Å²	74.8	13%	0.132	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-40.6	-178.8	0	0	0	0	0	112.5	L551 T555 L740 Q741 Q746 Y747 A748	L551-A744 HydrophobicContact CD1-CB 4.01Å; L551-A744 HydrophobicContact CD2-CB 3.64Å; L551-A744 HydrophobicContact CG-CB 3.72Å; T555-A744 HydrophobicContact CG2-CB 3.85Å; L740-A744 WeakPolarHBondContact O-CB 3.37Å; L740-A744 PolarHBondContact O-N 3.02Å; Q741-A744 PolarHBondContact O-N 3.37Å; A744-Q746 VanDerWaalsContact C-N 3.34Å; A744-Q746 PolarHBondContact O-N 3.48Å; A744-Y747 PolarHBondContact O-N 3.14Å; A744-A748 WeakPolarHBondContact O-CB 2.82Å; A744-A748 PolarHBondContact O-N 2.91Å
745	K	87.6	Confident	80.3	Confident	135 Å²	135	70.7 Å²	70.7	59%	0.587	35%	0.353	S	S	*	.	H	α-helix	trans	-59.1	-45.8	173.8	-174.1	-179.4	176.7	-177	0	111.5	Q741 L742 F743 A748 E749	Q741-K745 PolarHBondContact O-N 2.91Å; L742-K745 PolarHBondContact O-N 3.39Å; F743-K745 VanDerWaalsContact C-N 3.34Å; F743-K745 PolarHBondContact O-N 2.69Å; K745-A748 PolarHBondContact O-N 3.14Å; K745-E749 WeakPolarHBondContact CE-OE1 3.37Å; K745-E749 WeakPolarHBondContact O-CG 3.42Å; K745-E749 PolarHBondContact O-N 2.97Å
746	Q	85.2	Confident	77.6	Confident	61 Å²	61	75.7 Å²	75.7	29%	0.285	38%	0.379	S	S	.	.	H	α-helix	trans	-67.2	-38.9	178.1	-67.2	168.4	15.4	0	0	112.2	A664 L742 F743 A744 E749 R750	A664-Q746 VanDerWaalsContact CB-OE1 3.24Å; A664-Q746 PolarHBondContact O-OE1 2.76Å; L742-Q746 WeakPolarHBondContact O-CG 3.47Å; L742-Q746 PolarHBondContact O-N 2.94Å; F743-Q746 PolarHBondContact O-N 3.37Å; F743-Q746 VanDerWaalsContact O-N 3.14Å; A744-Q746 VanDerWaalsContact C-N 3.34Å; A744-Q746 PolarHBondContact O-N 3.48Å; Q746-E749 PolarHBondContact O-N 3Å; Q746-R750 WeakPolarHBondContact O-CG 3.41Å; Q746-R750 PolarHBondContact O-N 2.98Å
747	Y	84.3	Confident	74.5	Confident	43 Å²	43	80.1 Å²	80.1	17%	0.169	39%	0.394	C	S	.	.	H	α-helix	trans	-60	-47.8	175.7	-177	-102.6	0	0	0	111.1	L551 F591 D592 F743 A744 E749 R750 M751	L551-Y747 HydrophobicContact CD2-CD1 4Å; F591-Y747 HydrophobicContact CB-CE1 4.49Å; F591-Y747 HydrophobicContact CD2-CE2 4.3Å; D592-Y747 WeakPolarHBondContact OD2-CE1 3.36Å; D592-Y747 PolarHBondContact OD2-OH 3.31Å; F743-Y747 HydrophobicContact CZ-CD2 4.47Å; F743-Y747 WeakPolarHBondContact O-CB 3.39Å; F743-Y747 PolarHBondContact O-N 2.97Å; A744-Y747 PolarHBondContact O-N 3.14Å; Y747-E749 PolarHBondContact O-N 3.23Å; Y747-R750 PolarHBondContact O-N 3.06Å; Y747-M751 HydrophobicContact CD1-CG 4.49Å; Y747-M751 HydrophobicContact CE1-CG 4.19Å; Y747-M751 WeakPolarHBondContact O-CG 3.06Å; Y747-M751 PolarHBondContact O-N 2.87Å
748	A	81.5	Confident	71.4	Confident	53 Å²	53	87.4 Å²	87.4	44%	0.438	43%	0.433	S	S	.	.	H	α-helix	trans	-62.1	-39.9	175	0	0	0	0	0	112.7	A744 K745 R750 M751 T752	A744-A748 WeakPolarHBondContact O-CB 2.82Å; A744-A748 PolarHBondContact O-N 2.91Å; K745-A748 PolarHBondContact O-N 3.14Å; A748-R750 VanDerWaalsContact C-N 3.33Å; A748-R750 PolarHBondContact O-N 3.25Å; A748-M751 PolarHBondContact O-N 2.96Å; A748-T752 WeakPolarHBondContact O-CG2 3.29Å; A748-T752 PolarHBondContact O-N 2.97Å; A748-T752 VanDerWaalsContact O-N 3.09Å; A748-T752 PolarHBondContact O-OG1 3.07Å
749	E	80.7	Confident	68.4	Low	77 Å²	77	88.4 Å²	88.4	36%	0.36	44%	0.442	S	S	.	.	H	α-helix	trans	-63.6	-35.7	174.7	-75.5	179.1	-156.2	0	0	112.7	K745 Q746 Y747 T752 K753	K745-E749 WeakPolarHBondContact CE-OE1 3.37Å; K745-E749 WeakPolarHBondContact O-CG 3.42Å; K745-E749 PolarHBondContact O-N 2.97Å; Q746-E749 PolarHBondContact O-N 3Å; Y747-E749 PolarHBondContact O-N 3.23Å; E749-T752 WeakPolarHBondContact CA-OG1 3.35Å; E749-T752 PolarHBondContact O-OG1 3.11Å; E749-K753 VanDerWaalsContact O-CB 3.26Å; E749-K753 WeakPolarHBondContact O-CB 3.34Å; E749-K753 VanDerWaalsContact O-CG 3.26Å; E749-K753 WeakPolarHBondContact O-CG 3.24Å; E749-K753 PolarHBondContact O-N 2.63Å; E749-K753 IonicContact OE2-NZ 3.11Å
750	R	74.9	Confident	65.5	Low	96 Å²	96	86.3 Å²	86.3	36%	0.362	46%	0.455	S	S	.	.	H	α-helix	trans	-71.2	-41.4	176.3	-71	177.5	-171.6	-152.5	3.1	111.9	A664 D668 Q746 Y747 A748 T752 K753 N754	A664-R750 PolarHBondContact O-NH2 3.43Å; D668-R750 IonicContact OD1-NH1 3.51Å; D668-R750 PolarHBondContact OD1-NH1 3.15Å; Q746-R750 WeakPolarHBondContact O-CG 3.41Å; Q746-R750 PolarHBondContact O-N 2.98Å; Y747-R750 PolarHBondContact O-N 3.06Å; A748-R750 VanDerWaalsContact C-N 3.33Å; A748-R750 PolarHBondContact O-N 3.25Å; R750-T752 PolarHBondContact O-N 3.29Å; R750-K753 PolarHBondContact O-N 2.95Å; R750-N754 PolarHBondContact O-N 2.92Å
751	M	67.4	Low	62.6	Low	109 Å²	109	96.4 Å²	96.4	54%	0.537	52%	0.52	S	S	.	.	H	α-helix	trans	-63.9	-29.1	176.7	-69.5	-66.6	-104.5	0	0	112.4	D592 Y747 A748	D592-M751 WeakPolarHBondContact OD2-CE 3.47Å; Y747-M751 HydrophobicContact CD1-CG 4.49Å; Y747-M751 HydrophobicContact CE1-CG 4.19Å; Y747-M751 WeakPolarHBondContact O-CG 3.06Å; Y747-M751 PolarHBondContact O-N 2.87Å; A748-M751 PolarHBondContact O-N 2.96Å
752	T	65.8	Low	61.1	Low	105 Å²	105	97.4 Å²	97.4	64%	0.644	53%	0.528	S	S	*	.	H	α-helix	trans	-86	-34.2	175.1	51	0	0	0	0	113.9	A748 E749 R750 P755	A748-T752 WeakPolarHBondContact O-CG2 3.29Å; A748-T752 PolarHBondContact O-N 2.97Å; A748-T752 VanDerWaalsContact O-N 3.09Å; A748-T752 PolarHBondContact O-OG1 3.07Å; E749-T752 WeakPolarHBondContact CA-OG1 3.35Å; E749-T752 PolarHBondContact O-OG1 3.11Å; R750-T752 PolarHBondContact O-N 3.29Å; T752-P755 WeakPolarHBondContact O-CD 3.44Å
753	K	53.4	Low	59.5	Low	147 Å²	147	98 Å²	98	64%	0.639	53%	0.532	S	S	*	.	H	α-helix	trans	-79.2	-20.5	179.5	-77.7	174.3	-178.8	164.6	0	114.6	E749 R750 P755	E749-K753 VanDerWaalsContact O-CB 3.26Å; E749-K753 WeakPolarHBondContact O-CB 3.34Å; E749-K753 VanDerWaalsContact O-CG 3.26Å; E749-K753 WeakPolarHBondContact O-CG 3.24Å; E749-K753 PolarHBondContact O-N 2.63Å; E749-K753 IonicContact OE2-NZ 3.11Å; R750-K753 PolarHBondContact O-N 2.95Å; K753-P755 WeakPolarHBondContact O-CD 3.39Å
754	N	44.3	Very low	57.8	Low	107 Å²	107	101.9 Å²	101.9	57%	0.572	56%	0.555	S	S	*	*			trans	-101.1	66.4	168	-76.6	-14.3	0	0	0	110.7	R750 I756	R750-N754 PolarHBondContact O-N 2.92Å; N754-I756 PolarHBondContact O-N 3.36Å
755	P	39.4	Very low	56	Low	78 Å²	78	107 Å²	107	51%	0.506	58%	0.58	S	S	.	*			trans	-66.5	97	151.5	29.1	-21.6	0	0	0	103.8	T752 K753 H757	T752-P755 WeakPolarHBondContact O-CD 3.44Å; K753-P755 WeakPolarHBondContact O-CD 3.39Å; P755-H757 WeakPolarHBondContact O-CA 3.4Å; P755-H757 PolarHBondContact O-N 2.67Å
756	I	37.9	Very low	54	Low	107 Å²	107	105.3 Å²	105.3	55%	0.549	58%	0.58	S	S	.	*	S	Bend	trans	-45.4	106.9	177.6	-56.6	170.1	0	0	0	106.1	R478 N754	R478-I756 PolarHBondContact NE-O 2.89Å; R478-I756 VanDerWaalsContact NH1-CB 3.34Å; R478-I756 PolarHBondContact NH1-O 3.46Å; R478-I756 PolarHBondContact NH2-O 2.82Å; N754-I756 PolarHBondContact O-N 3.36Å
757	H	29.7	Very low	51.9	Low	141 Å²	141	108.2 Å²	108.2	65%	0.653	60%	0.6	S	S	*	*			trans	10.8	116	-168.8	-76.7	-82.5	0	0	0	117.5	R478 P755 D759	R478-H757 PolarHBondContact NH2-O 3.49Å; P755-H757 WeakPolarHBondContact O-CA 3.4Å; P755-H757 PolarHBondContact O-N 2.67Å; H757-D759 PolarHBondContact O-N 3.38Å
758	N	27.9	Very low	49.6	Very low	153 Å²	153	112.9 Å²	112.9	82%	0.818	63%	0.63	S	S	*	*			trans	-58	78.4	152.5	-88.2	-12.5	0	0	0	109.4
759	D	30.7	Very low	47.2	Very low	129 Å²	129	117.5 Å²	117.5	69%	0.69	65%	0.645	S	S	*	*			trans	-105.6	98.6	159.9	-76.6	-28.1	0	0	0	107.6	H757	H757-D759 PolarHBondContact O-N 3.38Å
760	G	30.2	Very low	44.4	Very low	66 Å²	66	120.8 Å²	120.8	68%	0.68	67%	0.669	S	S	*	*			trans	69.4	164	157.2	0	0	0	0	0	117.8
761	P	31.1	Very low	41.6	Very low	212 Å²	212	123.1 Å²	123.1	100%	1.377	70%	0.697	S	S	*	*			cis	-84.5	0	32.2	32.1	-34.8	0	0	0	115.8

Retrieved 761 of 761 residues in 876.8 ms (Link to these results)

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