A0A087WVH9_HUMAN Loading...

Zinc finger protein 700

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WVH9, Species HUMAN (Homo sapiens, Human), Gene ZNF700, Length 745 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.2	Very low	31.5	Very low	243 Å²	243	158.5 Å²	158.5	100%	1.197	84%	0.838	S	S	*	*				0	160.3	0	-88.4	179.5	168.2	0	0	109.3
2	P	40.9	Very low	31.4	Very low	117 Å²	117	157.5 Å²	157.5	76%	0.76	83%	0.833	S	S	*	*			trans	-92.6	-179.7	-158.6	36.6	-29.1	0	0	0	112.1
3	C	28.4	Very low	32.7	Very low	121 Å²	121	153.6 Å²	153.6	82%	0.818	82%	0.823	S	S	*	*			cis	-148.3	166.1	48	-78	0	0	0	0	116.3
4	C	32.8	Very low	32.5	Very low	120 Å²	120	147.6 Å²	147.6	81%	0.811	82%	0.815	S	S	*	*			trans	-111.2	154	170.9	-63.3	0	0	0	0	110.9
5	S	34	Very low	32.4	Very low	114 Å²	114	148.1 Å²	148.1	80%	0.797	82%	0.824	S	S	*	*			trans	-155.5	112.8	151.8	40.4	0	0	0	0	107.2
6	H	33	Very low	32.6	Very low	176 Å²	176	145.6 Å²	145.6	82%	0.815	82%	0.82	S	S	*	*				56.8	96.9	65.9	-79.4	50.7	0	0	0	114.4
7	R	31.9	Very low	32.3	Very low	253 Å²	253	148.9 Å²	148.9	96%	0.955	83%	0.827	S	S	*	*				-164.8	168	97.6	-102.5	-178	179.3	-155.6	-0.8	112.1
8	S	31.1	Very low	32.4	Very low	104 Å²	104	147.1 Å²	147.1	73%	0.727	83%	0.826	S	S	*	*			trans	-129.9	157	173.7	179.5	0	0	0	0	108.3
9	C	28.4	Very low	32.3	Very low	108 Å²	108	151.8 Å²	151.8	73%	0.73	83%	0.83	S	S	*	*				161.8	137.7	124.8	-89.4	0	0	0	0	115.1
10	R	29.4	Very low	32.1	Very low	226 Å²	226	152.6 Å²	152.6	85%	0.853	83%	0.827	S	S	*	*			trans	81.7	144.7	141.3	-74.1	178	178.1	-172.6	-2.9	122.8
11	E	29.1	Very low	31.9	Very low	161 Å²	161	152.6 Å²	152.6	75%	0.752	82%	0.824	S	S	*	*			trans	-71.5	-176.4	161.3	-48.2	97	148.7	0	0	110.7
12	D	30.3	Very low	32	Very low	147 Å²	147	149.4 Å²	149.4	79%	0.786	81%	0.808	S	S	*	*			cis	-153.1	-147.2	17.7	-149.4	-0.3	0	0	0	111.7
13	P	48	Very low	31.8	Very low	107 Å²	107	153 Å²	153	70%	0.695	81%	0.812	S	S	*	*			trans	-127.5	169.9	-134.8	41.8	-22	0	0	0	117.7
14	G	31.1	Very low	32.2	Very low	69 Å²	69	156 Å²	156	71%	0.711	81%	0.814	S	S	*	*			trans	92.9	132.1	140	0	0	0	0	0	118.9
15	T	30.5	Very low	32.6	Very low	156 Å²	156	157.3 Å²	157.3	96%	0.957	81%	0.813	S	S	*	*			trans	-166	154.6	142.9	3.9	0	0	0	0	109.2
16	S	34.9	Very low	33.5	Very low	108 Å²	108	157.8 Å²	157.8	76%	0.755	81%	0.814	S	S	*	*			trans	-136.4	131.4	179.5	55.8	0	0	0	0	109.4
17	E	28.6	Very low	34.3	Very low	201 Å²	201	153.7 Å²	153.7	94%	0.939	80%	0.801	S	S	*	*			trans	-157.3	154.1	155.3	-124.4	161	-151.3	0	0	112.1
18	S	34.1	Very low	35.4	Very low	117 Å²	117	143.4 Å²	143.4	82%	0.818	77%	0.77	S	S	*	*			trans	-101.7	152.8	-172.4	49.9	0	0	0	0	112.1
19	R	29.6	Very low	36.5	Very low	237 Å²	237	141.1 Å²	141.1	89%	0.894	75%	0.747	S	S	*	*			trans	-134	151.1	169.1	-157.7	167.7	-173.8	172.9	1.7	111.7
20	E	28.9	Very low	37.7	Very low	166 Å²	166	142.6 Å²	142.6	78%	0.776	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-75.7	156.7	-157.7	-54.4	103.1	128.8	0	0	116
21	M	27.2	Very low	39	Very low	153 Å²	153	137.5 Å²	137.5	75%	0.754	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-74.2	124.2	163.9	-72.4	170.7	53.8	0	0	110.2
22	M	30.7	Very low	40.4	Very low	177 Å²	177	133 Å²	133	87%	0.872	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-85.1	137.9	155.4	-62.8	-141.6	-75.2	0	0	109.1
23	F	35.8	Very low	41.7	Very low	193 Å²	193	126.9 Å²	126.9	85%	0.846	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-70.7	141	170.5	-83.4	-103.2	0	0	0	109.6
24	Q	36.2	Very low	42.3	Very low	184 Å²	184	126.1 Å²	126.1	86%	0.86	68%	0.679	S	S	*	*			trans	-122.7	153.3	165	-69.5	-171.1	-55.2	0	0	108.7
25	D	41.4	Very low	43.7	Very low	146 Å²	146	128.9 Å²	128.9	78%	0.781	68%	0.678	S	S	*	*			trans	-64.1	153	-174.4	-62.6	-68.9	0	0	0	113.2	V27	D25-V27 PolarHBondContact O-N 3.37Å; D25-V27 VanDerWaalsContact O-N 3.13Å
26	P	52.5	Low	45.3	Very low	125 Å²	125	125.5 Å²	125.5	81%	0.812	65%	0.65	S	S	*	*			trans	-71	108.5	-175.5	28.3	-34.8	0	0	0	112	A28	P26-A28 PolarHBondContact O-N 3.43Å
27	V	50.3	Low	46.4	Very low	89 Å²	89	123.6 Å²	123.6	54%	0.539	63%	0.634	S	S	.	*			trans	-64.9	124.1	170.1	-178.1	0	0	0	0	110.1	D25 D31 V32 L63	D25-V27 PolarHBondContact O-N 3.37Å; D25-V27 VanDerWaalsContact O-N 3.13Å; V27-D31 HydrophobicContact CG1-CB 4.01Å; V27-V32 HydrophobicContact CG1-CG2 3.56Å; V27-L63 HydrophobicContact CG1-CD2 4.35Å
28	A	55.9	Low	47.1	Very low	38 Å²	38	120.7 Å²	120.7	31%	0.314	62%	0.62	S	S	.	*			trans	-79.5	169.7	176.8	0	0	0	0	0	111.7	P26 E30 D31	P26-A28 PolarHBondContact O-N 3.43Å; A28-E30 VanDerWaalsContact C-N 3.28Å; A28-D31 WeakPolarHBondContact CB-OD2 3.44Å; A28-D31 PolarHBondContact N-OD2 3.44Å
29	F	53.3	Low	47.8	Very low	55 Å²	55	121.2 Å²	121.2	24%	0.241	61%	0.61	C	S	.	*	S	Bend	trans	-69.7	-35.6	174.2	177.1	-110.6	0	0	0	110.9	D31 V32 A33 M56 T59 F60 L63	F29-D31 VanDerWaalsContact C-N 3.28Å; F29-D31 PolarHBondContact O-N 3.25Å; F29-V32 CarbonylContact O-C 3.18Å; F29-V32 PolarHBondContact O-N 3.19Å; F29-V32 VanDerWaalsContact O-N 3.12Å; F29-A33 HydrophobicContact CE1-CB 4.36Å; F29-A33 WeakPolarHBondContact O-CB 3.45Å; F29-A33 PolarHBondContact O-N 2.91Å; F29-M56 HydrophobicContact CE1-CE 4.11Å; F29-M56 HydrophobicContact CE2-CE 4.44Å; F29-M56 HydrophobicContact CZ-CE 3.63Å; F29-T59 HydrophobicContact CE2-CG2 4.3Å; F29-F60 HydrophobicContact CD2-CB 4.09Å; F29-F60 AromaticContact CD2-CD2 3.8Å; F29-F60 HydrophobicContact CD2-CD2 3.8Å; F29-F60 HydrophobicContact CD2-CG 4.46Å; F29-F60 HydrophobicContact CE2-CB 3.72Å; F29-F60 HydrophobicContact CE2-CD2 4.07Å; F29-F60 HydrophobicContact CE2-CG 4.41Å; F29-F60 HydrophobicContact CG-CD2 4.08Å; F29-F60 HydrophobicContact CZ-CB 4.43Å; F29-L63 HydrophobicContact CB-CD1 4.45Å; F29-L63 HydrophobicContact CD2-CD1 4.02Å
30	E	53.4	Low	48.9	Very low	139 Å²	139	114.3 Å²	114.3	65%	0.65	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-60.2	-34.5	179.3	-67	64.5	-148	0	0	112	A28 V32 A33	A28-E30 VanDerWaalsContact C-N 3.28Å; E30-V32 VanDerWaalsContact C-N 3.26Å; E30-V32 PolarHBondContact O-N 3.2Å; E30-A33 PolarHBondContact O-N 3.23Å
31	D	57	Low	50.5	Low	120 Å²	120	109.4 Å²	109.4	64%	0.642	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-70.8	-19.7	177.9	-57.4	-37.8	0	0	0	113.4	V27 A28 F29	V27-D31 HydrophobicContact CG1-CB 4.01Å; A28-D31 WeakPolarHBondContact CB-OD2 3.44Å; A28-D31 PolarHBondContact N-OD2 3.44Å; F29-D31 VanDerWaalsContact C-N 3.28Å; F29-D31 PolarHBondContact O-N 3.25Å
32	V	58.6	Low	51.7	Low	65 Å²	65	106.7 Å²	106.7	39%	0.394	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-116.4	2.3	-177.9	-156.5	0	0	0	0	111.3	V27 F29 E30 V34 T59 L63	V27-V32 HydrophobicContact CG1-CG2 3.56Å; F29-V32 CarbonylContact O-C 3.18Å; F29-V32 PolarHBondContact O-N 3.19Å; F29-V32 VanDerWaalsContact O-N 3.12Å; E30-V32 VanDerWaalsContact C-N 3.26Å; E30-V32 PolarHBondContact O-N 3.2Å; V32-V34 PolarHBondContact O-N 3.4Å; V32-T59 HydrophobicContact CB-CG2 3.95Å; V32-T59 HydrophobicContact CG1-CG2 3.67Å; V32-L63 HydrophobicContact CB-CD1 4.35Å; V32-L63 HydrophobicContact CG2-CD1 4.12Å; V32-L63 HydrophobicContact CG2-CD2 4.46Å
33	A	57.2	Low	52.9	Low	20 Å²	20	105.3 Å²	105.3	17%	0.165	55%	0.55	C	S	.	.			trans	-83.9	111	-178.2	0	0	0	0	0	111.3	F29 E30 N35 M56	F29-A33 HydrophobicContact CE1-CB 4.36Å; F29-A33 WeakPolarHBondContact O-CB 3.45Å; F29-A33 PolarHBondContact O-N 2.91Å; E30-A33 PolarHBondContact O-N 3.23Å; A33-N35 PolarHBondContact O-N 3.24Å; A33-N35 PolarHBondContact O-ND2 3.03Å; A33-M56 HydrophobicContact CB-CE 3.61Å
34	V	61.4	Low	54.2	Low	90 Å²	90	97.9 Å²	97.9	55%	0.545	52%	0.519	S	S	.	.			trans	-72.3	123.1	165.8	-179	0	0	0	0	108.1	V32 F52	V32-V34 PolarHBondContact O-N 3.4Å; V34-F52 HydrophobicContact CB-CE2 4.33Å; V34-F52 HydrophobicContact CG1-CE2 4.48Å; V34-F52 WeakPolarHBondContact O-CE2 3.25Å; V34-F52 WeakPolarHBondContact O-CZ 3.27Å
35	N	60.3	Low	55	Low	128 Å²	128	92.7 Å²	92.7	68%	0.684	50%	0.497	S	S	*	.			trans	-113.9	147.1	176.4	-66.7	-57.9	0	0	0	109.9	A33	A33-N35 PolarHBondContact O-N 3.24Å; A33-N35 PolarHBondContact O-ND2 3.03Å
36	F	63.4	Low	55.3	Low	84 Å²	84	92.3 Å²	92.3	37%	0.368	49%	0.493	S	S	.	.			trans	-113.9	148.8	174	-73.5	-72.6	0	0	0	109.5	E40 W41 L44 F52	F36-E40 WeakPolarHBondContact CA-OE2 3.5Å; F36-E40 HydrophobicContact CB-CB 4.25Å; F36-E40 HydrophobicContact CD1-CB 4.09Å; F36-W41 HydrophobicContact CB-CB 4.48Å; F36-W41 HydrophobicContact CB-CE3 4.35Å; F36-W41 AromaticContact CD2-CE3 3.94Å; F36-W41 HydrophobicContact CD2-CE3 3.94Å; F36-W41 HydrophobicContact CD2-CZ3 4.13Å; F36-W41 HydrophobicContact CG-CE3 4.43Å; F36-L44 HydrophobicContact CD1-CD1 4.32Å; F36-L44 HydrophobicContact CD2-CD1 3.93Å; F36-L44 HydrophobicContact CE1-CD1 4.17Å; F36-L44 HydrophobicContact CE2-CD1 3.75Å; F36-L44 HydrophobicContact CG-CD1 4.2Å; F36-L44 HydrophobicContact CZ-CD1 3.89Å; F36-F52 HydrophobicContact CD2-CD2 4.09Å; F36-F52 AromaticContact CD2-CE2 3.89Å; F36-F52 HydrophobicContact CD2-CE2 3.89Å; F36-F52 HydrophobicContact CD2-CZ 4.26Å; F36-F52 AromaticContact CE2-CD2 3.57Å; F36-F52 HydrophobicContact CE2-CD2 3.57Å; F36-F52 AromaticContact CE2-CE2 3.75Å; F36-F52 HydrophobicContact CE2-CE2 3.75Å; F36-F52 HydrophobicContact CE2-CG 4.21Å
37	T	59.6	Low	55.1	Low	68 Å²	68	90.4 Å²	90.4	42%	0.417	48%	0.483	S	S	.	.			trans	-69.4	166.2	167.5	86.8	0	0	0	0	110.9	E39 E40 W41	T37-E39 VanDerWaalsContact C-N 3.29Å; T37-E39 VanDerWaalsContact CB-OE2 3.24Å; T37-E39 WeakPolarHBondContact CB-OE2 3.48Å; T37-E39 PolarHBondContact O-N 3.06Å; T37-E39 PolarHBondContact OG1-N 3.19Å; T37-E39 PolarHBondContact OG1-OE2 3.2Å; T37-E40 HydrophobicContact CG2-CG 4.45Å; T37-E40 PolarHBondContact N-OE2 3.15Å; T37-E40 PolarHBondContact O-N 3.12Å; T37-E40 PolarHBondContact OG1-N 3.14Å; T37-W41 VanDerWaalsContact O-CB 3.28Å; T37-W41 WeakPolarHBondContact O-CB 3.28Å; T37-W41 PolarHBondContact O-N 3.25Å
38	Q	41.8	Very low	55	Low	140 Å²	140	90.5 Å²	90.5	65%	0.654	48%	0.478	S	S	*	.	H	α-helix	trans	-64.8	-35.2	179	-176.1	65.7	-3.1	0	0	111.7	T42	Q38-T42 WeakPolarHBondContact O-CG2 3.15Å; Q38-T42 PolarHBondContact O-N 3Å; Q38-T42 VanDerWaalsContact O-N 3.11Å
39	E	49.1	Very low	55.2	Low	128 Å²	128	90.8 Å²	90.8	60%	0.598	47%	0.472	S	S	*	.	H	α-helix	trans	-65.1	-53.5	175.5	-56.3	70.4	-152.3	0	0	110.5	T37 W41 T42 L43	T37-E39 VanDerWaalsContact C-N 3.29Å; T37-E39 VanDerWaalsContact CB-OE2 3.24Å; T37-E39 WeakPolarHBondContact CB-OE2 3.48Å; T37-E39 PolarHBondContact O-N 3.06Å; T37-E39 PolarHBondContact OG1-N 3.19Å; T37-E39 PolarHBondContact OG1-OE2 3.2Å; E39-W41 VanDerWaalsContact C-N 3.26Å; E39-W41 PolarHBondContact O-N 2.79Å; E39-T42 PolarHBondContact O-N 2.81Å; E39-T42 PolarHBondContact O-OG1 3.44Å; E39-L43 PolarHBondContact O-N 3.45Å
40	E	53.9	Low	55.2	Low	92 Å²	92	91.9 Å²	91.9	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-55.7	-43.7	176.5	-66.5	179.1	141.3	0	0	111.4	F36 T37 T42 L43 L44	F36-E40 WeakPolarHBondContact CA-OE2 3.5Å; F36-E40 HydrophobicContact CB-CB 4.25Å; F36-E40 HydrophobicContact CD1-CB 4.09Å; T37-E40 HydrophobicContact CG2-CG 4.45Å; T37-E40 PolarHBondContact N-OE2 3.15Å; T37-E40 PolarHBondContact O-N 3.12Å; T37-E40 PolarHBondContact OG1-N 3.14Å; E40-T42 VanDerWaalsContact C-N 3.26Å; E40-T42 PolarHBondContact O-N 3.01Å; E40-L43 PolarHBondContact O-N 3.22Å; E40-L44 PolarHBondContact O-N 3.28Å
41	W	61.1	Low	55.2	Low	64 Å²	64	90.2 Å²	90.2	24%	0.242	48%	0.475	C	S	.	.	H	α-helix	trans	-63.3	-29.3	177.1	-171	-104.9	0	0	0	112.3	F36 T37 E39 L44 K49 F52	F36-W41 HydrophobicContact CB-CB 4.48Å; F36-W41 HydrophobicContact CB-CE3 4.35Å; F36-W41 AromaticContact CD2-CE3 3.94Å; F36-W41 HydrophobicContact CD2-CE3 3.94Å; F36-W41 HydrophobicContact CD2-CZ3 4.13Å; F36-W41 HydrophobicContact CG-CE3 4.43Å; T37-W41 VanDerWaalsContact O-CB 3.28Å; T37-W41 WeakPolarHBondContact O-CB 3.28Å; T37-W41 PolarHBondContact O-N 3.25Å; E39-W41 VanDerWaalsContact C-N 3.26Å; E39-W41 PolarHBondContact O-N 2.79Å; W41-L44 HydrophobicContact CE3-CD1 3.8Å; W41-L44 HydrophobicContact CZ3-CD1 4.12Å; W41-K49 HydrophobicContact CH2-CB 4.05Å; W41-K49 HydrophobicContact CH2-CG 3.82Å; W41-K49 HydrophobicContact CZ2-CB 4.18Å; W41-K49 HydrophobicContact CZ2-CD 4.29Å; W41-K49 HydrophobicContact CZ2-CG 3.8Å; W41-K49 HydrophobicContact CZ3-CG 4.2Å; W41-K49 WeakPolarHBondContact O-CE 3.28Å; W41-K49 PolarHBondContact O-NZ 3.22Å; W41-F52 AromaticContact CH2-CD1 3.63Å; W41-F52 HydrophobicContact CH2-CD1 3.63Å; W41-F52 HydrophobicContact CH2-CE1 4.17Å; W41-F52 HydrophobicContact CH2-CG 4.39Å; W41-F52 HydrophobicContact CZ3-CB 4.39Å; W41-F52 AromaticContact CZ3-CD1 3.48Å; W41-F52 HydrophobicContact CZ3-CD1 3.48Å; W41-F52 VanDerWaalsContact CZ3-CD1 3.48Å; W41-F52 AromaticContact CZ3-CE1 3.87Å; W41-F52 HydrophobicContact CZ3-CE1 3.87Å; W41-F52 AromaticContact CZ3-CG 3.98Å; W41-F52 HydrophobicContact CZ3-CG 3.98Å
42	T	53.5	Low	55.4	Low	96 Å²	96	86.7 Å²	86.7	59%	0.589	45%	0.454	S	S	*	.	H	α-helix	trans	-67.2	-36.1	172.1	63.6	0	0	0	0	112.8	Q38 E39 E40 K49	Q38-T42 WeakPolarHBondContact O-CG2 3.15Å; Q38-T42 PolarHBondContact O-N 3Å; Q38-T42 VanDerWaalsContact O-N 3.11Å; E39-T42 PolarHBondContact O-N 2.81Å; E39-T42 PolarHBondContact O-OG1 3.44Å; E40-T42 VanDerWaalsContact C-N 3.26Å; E40-T42 PolarHBondContact O-N 3.01Å; T42-K49 PolarHBondContact O-NZ 2.82Å
43	L	55.7	Low	55.3	Low	148 Å²	148	91 Å²	91	78%	0.775	46%	0.464	S	S	*	.	H	α-helix	trans	-74.6	-25.1	-174.1	-62.2	173.6	0	0	0	114.4	E39 E40	E39-L43 PolarHBondContact O-N 3.45Å; E40-L43 PolarHBondContact O-N 3.22Å
44	L	61.8	Low	55.2	Low	36 Å²	36	96.5 Å²	96.5	19%	0.188	49%	0.485	C	S	.	.	S	Bend	trans	-67.2	140.9	179.6	-66.3	172	0	0	0	113.2	F36 E40 W41 Q48 K49	F36-L44 HydrophobicContact CD1-CD1 4.32Å; F36-L44 HydrophobicContact CD2-CD1 3.93Å; F36-L44 HydrophobicContact CE1-CD1 4.17Å; F36-L44 HydrophobicContact CE2-CD1 3.75Å; F36-L44 HydrophobicContact CG-CD1 4.2Å; F36-L44 HydrophobicContact CZ-CD1 3.89Å; E40-L44 PolarHBondContact O-N 3.28Å; W41-L44 HydrophobicContact CE3-CD1 3.8Å; W41-L44 HydrophobicContact CZ3-CD1 4.12Å; L44-Q48 HydrophobicContact CB-CB 4.31Å; L44-Q48 HydrophobicContact CD2-CB 4.26Å; L44-K49 HydrophobicContact CB-CD 4.41Å; L44-K49 HydrophobicContact CB-CG 3.94Å; L44-K49 WeakPolarHBondContact O-CE 3.38Å; L44-K49 PolarHBondContact O-NZ 3.03Å
45	D	53.4	Low	55	Low	76 Å²	76	95.8 Å²	95.8	41%	0.406	48%	0.481	S	S	.	.			trans	-76.9	167.8	175.5	87.5	58.6	0	0	0	113.4	S47 Q48 K49	D45-S47 VanDerWaalsContact C-N 3.28Å; D45-S47 PolarHBondContact O-N 3.06Å; D45-S47 VanDerWaalsContact OD1-CA 3.28Å; D45-S47 WeakPolarHBondContact OD1-CA 3.47Å; D45-S47 WeakPolarHBondContact OD1-CB 3.27Å; D45-S47 PolarHBondContact OD1-N 2.59Å; D45-S47 PolarHBondContact OD1-OG 3.18Å; D45-Q48 PolarHBondContact O-N 3.5Å; D45-Q48 PolarHBondContact OD1-N 2.81Å; D45-K49 WeakPolarHBondContact O-CB 3.4Å; D45-K49 WeakPolarHBondContact O-CG 3.48Å; D45-K49 PolarHBondContact O-N 3.24Å
46	I	48.2	Very low	55.3	Low	137 Å²	137	90.9 Å²	90.9	70%	0.703	46%	0.455	S	S	*	.	H	α-helix	trans	-62.2	-34.2	-175.5	-63.3	173.3	0	0	0	112.2	N50	I46-N50 WeakPolarHBondContact O-CB 3.49Å; I46-N50 PolarHBondContact O-N 3.01Å; I46-N50 VanDerWaalsContact O-N 3.1Å; I46-N50 PolarHBondContact O-ND2 3.29Å; I46-N50 VanDerWaalsContact O-ND2 3.12Å
47	S	47.4	Very low	54.9	Low	85 Å²	85	91.4 Å²	91.4	59%	0.594	46%	0.461	S	S	*	.	H	α-helix	trans	-70.8	-44.1	176.5	-23.9	0	0	0	0	110.6	D45 N50 L51	D45-S47 VanDerWaalsContact C-N 3.28Å; D45-S47 PolarHBondContact O-N 3.06Å; D45-S47 VanDerWaalsContact OD1-CA 3.28Å; D45-S47 WeakPolarHBondContact OD1-CA 3.47Å; D45-S47 WeakPolarHBondContact OD1-CB 3.27Å; D45-S47 PolarHBondContact OD1-N 2.59Å; D45-S47 PolarHBondContact OD1-OG 3.18Å; S47-N50 PolarHBondContact O-N 2.88Å; S47-L51 WeakPolarHBondContact O-CB 3.33Å; S47-L51 PolarHBondContact O-N 2.85Å
48	Q	49.4	Very low	54.8	Low	92 Å²	92	92.2 Å²	92.2	43%	0.43	46%	0.46	S	S	.	.	H	α-helix	trans	-62.5	-44.4	176	-66.7	172.5	-27.4	0	0	111.5	L44 D45 N50 L51 F52	L44-Q48 HydrophobicContact CB-CB 4.31Å; L44-Q48 HydrophobicContact CD2-CB 4.26Å; D45-Q48 PolarHBondContact O-N 3.5Å; D45-Q48 PolarHBondContact OD1-N 2.81Å; Q48-N50 VanDerWaalsContact C-N 3.32Å; Q48-N50 PolarHBondContact O-N 3.21Å; Q48-L51 PolarHBondContact O-N 3.21Å; Q48-F52 WeakPolarHBondContact O-CB 3.27Å; Q48-F52 PolarHBondContact O-N 3.24Å
49	K	60.8	Low	55.3	Low	43 Å²	43	87 Å²	87	19%	0.187	44%	0.437	C	S	.	.	H	α-helix	trans	-62.5	-34.4	175.2	-76	167.7	164	139.3	0	113.4	W41 T42 L44 D45 R53	W41-K49 HydrophobicContact CH2-CB 4.05Å; W41-K49 HydrophobicContact CH2-CG 3.82Å; W41-K49 HydrophobicContact CZ2-CB 4.18Å; W41-K49 HydrophobicContact CZ2-CD 4.29Å; W41-K49 HydrophobicContact CZ2-CG 3.8Å; W41-K49 HydrophobicContact CZ3-CG 4.2Å; W41-K49 WeakPolarHBondContact O-CE 3.28Å; W41-K49 PolarHBondContact O-NZ 3.22Å; T42-K49 PolarHBondContact O-NZ 2.82Å; L44-K49 HydrophobicContact CB-CD 4.41Å; L44-K49 HydrophobicContact CB-CG 3.94Å; L44-K49 WeakPolarHBondContact O-CE 3.38Å; L44-K49 PolarHBondContact O-NZ 3.03Å; D45-K49 WeakPolarHBondContact O-CB 3.4Å; D45-K49 WeakPolarHBondContact O-CG 3.48Å; D45-K49 PolarHBondContact O-N 3.24Å; K49-R53 WeakPolarHBondContact O-CG 3.48Å; K49-R53 PolarHBondContact O-N 2.95Å
50	N	51.3	Low	55.5	Low	78 Å²	78	85.9 Å²	85.9	42%	0.417	43%	0.431	S	S	.	.	H	α-helix	trans	-74.2	-43.3	174.2	-72.4	-25.8	0	0	0	111.6	I46 S47 Q48 F52 R53 E54	I46-N50 WeakPolarHBondContact O-CB 3.49Å; I46-N50 PolarHBondContact O-N 3.01Å; I46-N50 VanDerWaalsContact O-N 3.1Å; I46-N50 PolarHBondContact O-ND2 3.29Å; I46-N50 VanDerWaalsContact O-ND2 3.12Å; S47-N50 PolarHBondContact O-N 2.88Å; Q48-N50 VanDerWaalsContact C-N 3.32Å; Q48-N50 PolarHBondContact O-N 3.21Å; N50-F52 VanDerWaalsContact C-N 3.33Å; N50-F52 PolarHBondContact O-N 2.87Å; N50-R53 WeakPolarHBondContact O-CB 3.35Å; N50-R53 PolarHBondContact O-N 3.09Å; N50-R53 VanDerWaalsContact O-N 3.14Å; N50-E54 PolarHBondContact O-N 2.92Å
51	L	54.4	Low	55.6	Low	104 Å²	104	87.9 Å²	87.9	55%	0.545	43%	0.434	S	S	.	.	H	α-helix	trans	-59.1	-43.8	175.6	179.8	62.6	0	0	0	111.5	S47 Q48 R53 E54 V55	S47-L51 WeakPolarHBondContact O-CB 3.33Å; S47-L51 PolarHBondContact O-N 2.85Å; Q48-L51 PolarHBondContact O-N 3.21Å; L51-R53 VanDerWaalsContact C-N 3.34Å; L51-R53 PolarHBondContact O-N 3.01Å; L51-E54 PolarHBondContact O-N 2.9Å; L51-V55 HydrophobicContact CD1-CG2 4.19Å; L51-V55 HydrophobicContact CG-CG2 4.43Å; L51-V55 WeakPolarHBondContact O-CB 3.46Å; L51-V55 WeakPolarHBondContact O-CG2 3.43Å; L51-V55 PolarHBondContact O-N 3.37Å
52	F	61.2	Low	55.5	Low	47 Å²	47	89 Å²	89	21%	0.206	45%	0.445	C	S	.	.	H	α-helix	trans	-56.1	-46.9	173.6	175.6	-100.8	0	0	0	112.1	V34 F36 W41 Q48 N50 E54 V55 M56	V34-F52 HydrophobicContact CB-CE2 4.33Å; V34-F52 HydrophobicContact CG1-CE2 4.48Å; V34-F52 WeakPolarHBondContact O-CE2 3.25Å; V34-F52 WeakPolarHBondContact O-CZ 3.27Å; F36-F52 HydrophobicContact CD2-CD2 4.09Å; F36-F52 AromaticContact CD2-CE2 3.89Å; F36-F52 HydrophobicContact CD2-CE2 3.89Å; F36-F52 HydrophobicContact CD2-CZ 4.26Å; F36-F52 AromaticContact CE2-CD2 3.57Å; F36-F52 HydrophobicContact CE2-CD2 3.57Å; F36-F52 AromaticContact CE2-CE2 3.75Å; F36-F52 HydrophobicContact CE2-CE2 3.75Å; F36-F52 HydrophobicContact CE2-CG 4.21Å; W41-F52 AromaticContact CH2-CD1 3.63Å; W41-F52 HydrophobicContact CH2-CD1 3.63Å; W41-F52 HydrophobicContact CH2-CE1 4.17Å; W41-F52 HydrophobicContact CH2-CG 4.39Å; W41-F52 HydrophobicContact CZ3-CB 4.39Å; W41-F52 AromaticContact CZ3-CD1 3.48Å; W41-F52 HydrophobicContact CZ3-CD1 3.48Å; W41-F52 VanDerWaalsContact CZ3-CD1 3.48Å; W41-F52 AromaticContact CZ3-CE1 3.87Å; W41-F52 HydrophobicContact CZ3-CE1 3.87Å; W41-F52 AromaticContact CZ3-CG 3.98Å; W41-F52 HydrophobicContact CZ3-CG 3.98Å; Q48-F52 WeakPolarHBondContact O-CB 3.27Å; Q48-F52 PolarHBondContact O-N 3.24Å; N50-F52 VanDerWaalsContact C-N 3.33Å; N50-F52 PolarHBondContact O-N 2.87Å; F52-E54 PolarHBondContact O-N 2.84Å; F52-V55 PolarHBondContact O-N 3.29Å; F52-M56 HydrophobicContact CD1-CG 4.38Å; F52-M56 HydrophobicContact CD2-CG 4.14Å; F52-M56 HydrophobicContact CE1-CG 4.03Å; F52-M56 HydrophobicContact CE2-CG 3.77Å; F52-M56 HydrophobicContact CE2-SD 4.26Å; F52-M56 HydrophobicContact CG-CG 4.45Å; F52-M56 HydrophobicContact CZ-CE 4.45Å; F52-M56 HydrophobicContact CZ-CG 3.73Å; F52-M56 HydrophobicContact CZ-SD 4.38Å; F52-M56 WeakPolarHBondContact O-CB 3.2Å; F52-M56 VanDerWaalsContact O-CG 3.3Å; F52-M56 WeakPolarHBondContact O-CG 3.45Å; F52-M56 PolarHBondContact O-N 3.47Å
53	R	55.9	Low	55.6	Low	156 Å²	156	86.7 Å²	86.7	59%	0.589	43%	0.429	S	S	*	.	H	α-helix	trans	-63.6	-38.8	177.6	-75	172.3	170.7	-177.5	-4.2	112.8	K49 N50 L51 L57	K49-R53 WeakPolarHBondContact O-CG 3.48Å; K49-R53 PolarHBondContact O-N 2.95Å; N50-R53 WeakPolarHBondContact O-CB 3.35Å; N50-R53 PolarHBondContact O-N 3.09Å; N50-R53 VanDerWaalsContact O-N 3.14Å; L51-R53 VanDerWaalsContact C-N 3.34Å; L51-R53 PolarHBondContact O-N 3.01Å; R53-L57 WeakPolarHBondContact O-CB 3.34Å; R53-L57 PolarHBondContact O-N 2.94Å; R53-L57 VanDerWaalsContact O-N 3.15Å
54	E	56.3	Low	55.4	Low	134 Å²	134	83.1 Å²	83.1	63%	0.626	41%	0.413	S	S	*	.	H	α-helix	trans	-67.3	-45.4	176.1	-72.4	179.4	177.1	0	0	111.5	N50 L51 F52 L57 E58	N50-E54 PolarHBondContact O-N 2.92Å; L51-E54 PolarHBondContact O-N 2.9Å; F52-E54 PolarHBondContact O-N 2.84Å; E54-L57 PolarHBondContact O-N 2.83Å; E54-E58 PolarHBondContact O-N 3.4Å
55	V	55.8	Low	55	Low	75 Å²	75	85.6 Å²	85.6	46%	0.455	43%	0.433	S	S	.	.	H	α-helix	trans	-61.4	-48.6	176.9	170.2	0	0	0	0	111.3	L51 F52 L57 E58 T59	L51-V55 HydrophobicContact CD1-CG2 4.19Å; L51-V55 HydrophobicContact CG-CG2 4.43Å; L51-V55 WeakPolarHBondContact O-CB 3.46Å; L51-V55 WeakPolarHBondContact O-CG2 3.43Å; L51-V55 PolarHBondContact O-N 3.37Å; F52-V55 PolarHBondContact O-N 3.29Å; V55-L57 VanDerWaalsContact C-N 3.32Å; V55-L57 PolarHBondContact O-N 3.19Å; V55-E58 PolarHBondContact O-N 3.42Å; V55-T59 PolarHBondContact O-N 3.39Å; V55-T59 PolarHBondContact O-OG1 3.08Å
56	M	67.6	Low	54.9	Low	26 Å²	26	88.7 Å²	88.7	13%	0.128	45%	0.449	C	S	.	.	H	α-helix	trans	-64.5	-35	-179.7	-69.6	-64	-79.4	0	0	112.7	F29 A33 F52 E58 F60	F29-M56 HydrophobicContact CE1-CE 4.11Å; F29-M56 HydrophobicContact CE2-CE 4.44Å; F29-M56 HydrophobicContact CZ-CE 3.63Å; A33-M56 HydrophobicContact CB-CE 3.61Å; F52-M56 HydrophobicContact CD1-CG 4.38Å; F52-M56 HydrophobicContact CD2-CG 4.14Å; F52-M56 HydrophobicContact CE1-CG 4.03Å; F52-M56 HydrophobicContact CE2-CG 3.77Å; F52-M56 HydrophobicContact CE2-SD 4.26Å; F52-M56 HydrophobicContact CG-CG 4.45Å; F52-M56 HydrophobicContact CZ-CE 4.45Å; F52-M56 HydrophobicContact CZ-CG 3.73Å; F52-M56 HydrophobicContact CZ-SD 4.38Å; F52-M56 WeakPolarHBondContact O-CB 3.2Å; F52-M56 VanDerWaalsContact O-CG 3.3Å; F52-M56 WeakPolarHBondContact O-CG 3.45Å; F52-M56 PolarHBondContact O-N 3.47Å; M56-E58 VanDerWaalsContact C-N 3.35Å; M56-F60 WeakPolarHBondContact O-CB 3.47Å; M56-F60 PolarHBondContact O-N 3.49Å; M56-F60 VanDerWaalsContact O-N 3.1Å
57	L	54.6	Low	54.7	Low	95 Å²	95	85.3 Å²	85.3	50%	0.497	45%	0.448	S	S	.	.	H	α-helix	trans	-65.2	-37.1	171.4	-110.3	150.7	0	0	0	112.4	R53 E54 V55 R61	R53-L57 WeakPolarHBondContact O-CB 3.34Å; R53-L57 PolarHBondContact O-N 2.94Å; R53-L57 VanDerWaalsContact O-N 3.15Å; E54-L57 PolarHBondContact O-N 2.83Å; V55-L57 VanDerWaalsContact C-N 3.32Å; V55-L57 PolarHBondContact O-N 3.19Å; L57-R61 WeakPolarHBondContact O-CD 3.46Å; L57-R61 VanDerWaalsContact O-CG 3.23Å; L57-R61 WeakPolarHBondContact O-CG 3.48Å; L57-R61 PolarHBondContact O-N 2.6Å
58	E	57	Low	54.3	Low	85 Å²	85	89.6 Å²	89.6	40%	0.397	46%	0.456	S	S	.	.	H	α-helix	trans	-75.2	-38.9	178.9	-154.9	67.5	-177.6	0	0	112	E54 V55 M56 F60 R61 N62	E54-E58 PolarHBondContact O-N 3.4Å; V55-E58 PolarHBondContact O-N 3.42Å; M56-E58 VanDerWaalsContact C-N 3.35Å; E58-F60 VanDerWaalsContact C-N 3.33Å; E58-F60 PolarHBondContact O-N 2.93Å; E58-R61 WeakPolarHBondContact O-CB 3.29Å; E58-R61 PolarHBondContact O-N 3.43Å; E58-R61 WeakPolarHBondContact OE2-CD 3.24Å; E58-R61 IonicContact OE2-CZ 3.93Å; E58-R61 IonicContact OE2-NE 3.06Å; E58-R61 IonicContact OE2-NH1 3.98Å; E58-R61 PolarHBondContact OE2-NH1 3.48Å; E58-N62 WeakPolarHBondContact O-CB 3.26Å; E58-N62 VanDerWaalsContact O-CG 3.3Å; E58-N62 PolarHBondContact O-N 2.76Å; E58-N62 PolarHBondContact O-ND2 2.91Å
59	T	53.8	Low	53.6	Low	29 Å²	29	94.6 Å²	94.6	18%	0.178	48%	0.476	C	S	.	.	H	α-helix	trans	-56.6	-46.5	170	-59.7	0	0	0	0	111.1	F29 V32 V55 R61 N62 L63	F29-T59 HydrophobicContact CE2-CG2 4.3Å; V32-T59 HydrophobicContact CB-CG2 3.95Å; V32-T59 HydrophobicContact CG1-CG2 3.67Å; V55-T59 PolarHBondContact O-N 3.39Å; V55-T59 PolarHBondContact O-OG1 3.08Å; T59-R61 PolarHBondContact O-N 2.79Å; T59-N62 PolarHBondContact O-N 3.47Å; T59-L63 HydrophobicContact CG2-CD1 4.11Å; T59-L63 PolarHBondContact O-N 3.44Å
60	F	53	Low	52.4	Low	105 Å²	105	103.9 Å²	103.9	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-62.7	-40.8	176.3	-173.1	-94.3	0	0	0	112.8	F29 M56 E58 T64	F29-F60 HydrophobicContact CD2-CB 4.09Å; F29-F60 AromaticContact CD2-CD2 3.8Å; F29-F60 HydrophobicContact CD2-CD2 3.8Å; F29-F60 HydrophobicContact CD2-CG 4.46Å; F29-F60 HydrophobicContact CE2-CB 3.72Å; F29-F60 HydrophobicContact CE2-CD2 4.07Å; F29-F60 HydrophobicContact CE2-CG 4.41Å; F29-F60 HydrophobicContact CG-CD2 4.08Å; F29-F60 HydrophobicContact CZ-CB 4.43Å; M56-F60 WeakPolarHBondContact O-CB 3.47Å; M56-F60 PolarHBondContact O-N 3.49Å; M56-F60 VanDerWaalsContact O-N 3.1Å; E58-F60 VanDerWaalsContact C-N 3.33Å; E58-F60 PolarHBondContact O-N 2.93Å; F60-T64 HydrophobicContact CD1-CG2 4.28Å; F60-T64 HydrophobicContact CE1-CG2 3.85Å; F60-T64 HydrophobicContact CE2-CG2 4.43Å; F60-T64 HydrophobicContact CZ-CG2 3.93Å; F60-T64 WeakPolarHBondContact O-CB 3.46Å; F60-T64 WeakPolarHBondContact O-CG2 3.25Å; F60-T64 PolarHBondContact O-N 2.93Å; F60-T64 PolarHBondContact O-OG1 2.97Å
61	R	56.3	Low	51.3	Low	135 Å²	135	105.2 Å²	105.2	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-63.1	-41.9	174.6	-74.7	161.7	179.6	170.1	3	112.3	L57 E58 T59 T64 S65	L57-R61 WeakPolarHBondContact O-CD 3.46Å; L57-R61 VanDerWaalsContact O-CG 3.23Å; L57-R61 WeakPolarHBondContact O-CG 3.48Å; L57-R61 PolarHBondContact O-N 2.6Å; E58-R61 WeakPolarHBondContact O-CB 3.29Å; E58-R61 PolarHBondContact O-N 3.43Å; E58-R61 WeakPolarHBondContact OE2-CD 3.24Å; E58-R61 IonicContact OE2-CZ 3.93Å; E58-R61 IonicContact OE2-NE 3.06Å; E58-R61 IonicContact OE2-NH1 3.98Å; E58-R61 PolarHBondContact OE2-NH1 3.48Å; T59-R61 PolarHBondContact O-N 2.79Å; R61-T64 WeakPolarHBondContact CA-OG1 3.15Å; R61-T64 PolarHBondContact O-N 2.91Å; R61-T64 PolarHBondContact O-OG1 3.3Å; R61-S65 VanDerWaalsContact O-CB 3.25Å; R61-S65 WeakPolarHBondContact O-CB 3.5Å; R61-S65 PolarHBondContact O-N 3.46Å
62	N	57.8	Low	50.3	Low	88 Å²	88	107.1 Å²	107.1	47%	0.471	54%	0.537	S	S	.	.	H	α-helix	trans	-66.5	-47.1	-179.7	-71.9	-39.4	0	0	0	111.3	E58 T59 T64 S65 I66	E58-N62 WeakPolarHBondContact O-CB 3.26Å; E58-N62 VanDerWaalsContact O-CG 3.3Å; E58-N62 PolarHBondContact O-N 2.76Å; E58-N62 PolarHBondContact O-ND2 2.91Å; T59-N62 PolarHBondContact O-N 3.47Å; N62-T64 PolarHBondContact O-N 3.16Å; N62-S65 WeakPolarHBondContact O-CB 3.26Å; N62-S65 PolarHBondContact O-N 3.21Å; N62-S65 VanDerWaalsContact O-N 3.16Å; N62-I66 WeakPolarHBondContact O-CG1 3.1Å; N62-I66 PolarHBondContact O-N 3.11Å
63	L	55.6	Low	49.1	Very low	46 Å²	46	113.4 Å²	113.4	24%	0.241	57%	0.566	C	S	.	*	H	α-helix	trans	-60.1	-44.3	175.1	-72.3	165.7	0	0	0	112.1	V27 F29 V32 T59 S65 I66	V27-L63 HydrophobicContact CG1-CD2 4.35Å; F29-L63 HydrophobicContact CB-CD1 4.45Å; F29-L63 HydrophobicContact CD2-CD1 4.02Å; V32-L63 HydrophobicContact CB-CD1 4.35Å; V32-L63 HydrophobicContact CG2-CD1 4.12Å; V32-L63 HydrophobicContact CG2-CD2 4.46Å; T59-L63 HydrophobicContact CG2-CD1 4.11Å; T59-L63 PolarHBondContact O-N 3.44Å; L63-S65 VanDerWaalsContact C-N 3.29Å; L63-S65 PolarHBondContact O-N 3.31Å; L63-I66 PolarHBondContact O-N 3.06Å
64	T	51	Low	48.4	Very low	73 Å²	73	112.6 Å²	112.6	45%	0.448	57%	0.574	S	S	.	*	H	α-helix	trans	-71	-19.8	176.9	50.8	0	0	0	0	114.3	F60 R61 N62	F60-T64 HydrophobicContact CD1-CG2 4.28Å; F60-T64 HydrophobicContact CE1-CG2 3.85Å; F60-T64 HydrophobicContact CE2-CG2 4.43Å; F60-T64 HydrophobicContact CZ-CG2 3.93Å; F60-T64 WeakPolarHBondContact O-CB 3.46Å; F60-T64 WeakPolarHBondContact O-CG2 3.25Å; F60-T64 PolarHBondContact O-N 2.93Å; F60-T64 PolarHBondContact O-OG1 2.97Å; R61-T64 WeakPolarHBondContact CA-OG1 3.15Å; R61-T64 PolarHBondContact O-N 2.91Å; R61-T64 PolarHBondContact O-OG1 3.3Å; N62-T64 PolarHBondContact O-N 3.16Å
65	S	54.2	Low	47.5	Very low	88 Å²	88	111.3 Å²	111.3	62%	0.615	57%	0.57	S	S	*	*	H	α-helix	trans	-79.7	-33.1	173.2	-168.8	0	0	0	0	112.8	R61 N62 L63 G67	R61-S65 VanDerWaalsContact O-CB 3.25Å; R61-S65 WeakPolarHBondContact O-CB 3.5Å; R61-S65 PolarHBondContact O-N 3.46Å; N62-S65 WeakPolarHBondContact O-CB 3.26Å; N62-S65 PolarHBondContact O-N 3.21Å; N62-S65 VanDerWaalsContact O-N 3.16Å; L63-S65 VanDerWaalsContact C-N 3.29Å; L63-S65 PolarHBondContact O-N 3.31Å; S65-G67 VanDerWaalsContact C-N 3.28Å; S65-G67 PolarHBondContact O-N 2.95Å
66	I	51	Low	46.5	Very low	141 Å²	141	114.7 Å²	114.7	72%	0.723	58%	0.581	S	S	*	*	H	α-helix	trans	-66.2	-31.6	177.7	-69.5	161.7	0	0	0	111.5	N62 L63 K68	N62-I66 WeakPolarHBondContact O-CG1 3.1Å; N62-I66 PolarHBondContact O-N 3.11Å; L63-I66 PolarHBondContact O-N 3.06Å; I66-K68 VanDerWaalsContact C-N 3.33Å; I66-K68 PolarHBondContact O-N 3.05Å
67	G	44.4	Very low	45	Very low	67 Å²	67	121.7 Å²	121.7	69%	0.691	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	10	-173.3	0	0	0	0	0	117.9	S65	S65-G67 VanDerWaalsContact C-N 3.28Å; S65-G67 PolarHBondContact O-N 2.95Å
68	K	38.1	Very low	44	Very low	175 Å²	175	124.1 Å²	124.1	76%	0.761	62%	0.616	S	S	*	*			trans	-136.7	118.9	-175.7	-67.7	-173.8	179	179.1	0	114.1	I66	I66-K68 VanDerWaalsContact C-N 3.33Å; I66-K68 PolarHBondContact O-N 3.05Å
69	K	35.7	Very low	43	Very low	196 Å²	196	129.5 Å²	129.5	85%	0.852	63%	0.634	S	S	*	*			trans	-71.2	151	170	-72.4	-174.5	175.8	-179	0	111.1
70	W	35.5	Very low	42.1	Very low	238 Å²	238	134 Å²	134	90%	0.902	65%	0.653	S	S	*	*			trans	-109	115.5	-166.4	-149.4	-44.6	0	0	0	111.3
71	S	29.1	Very low	41.2	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	66%	0.66	S	S	*	*			trans	-153.9	104.8	165.3	65	0	0	0	0	111.2
72	D	31.7	Very low	40	Very low	144 Å²	144	133.6 Å²	133.6	77%	0.77	67%	0.672	S	S	*	*			trans	59.6	129.4	153.1	-72.4	-8.1	0	0	0	124
73	Q	36.4	Very low	38.7	Very low	178 Å²	178	140.5 Å²	140.5	83%	0.832	69%	0.692	S	S	*	*	S	Bend	trans	80.6	122.4	155.8	-63.3	178.1	35.5	0	0	120.4
74	N	42.2	Very low	37.8	Very low	140 Å²	140	150.3 Å²	150.3	75%	0.749	73%	0.726	S	S	*	*			trans	76.3	29.1	153.4	-133.5	3.6	0	0	0	120.7
75	I	36.6	Very low	37.1	Very low	107 Å²	107	150.7 Å²	150.7	55%	0.549	73%	0.731	S	S	.	*	H	α-helix	trans	-70.3	-27.7	177	-65.4	174	0	0	0	114	Y77 E78 Y79	I75-Y77 VanDerWaalsContact C-N 3.31Å; I75-Y77 PolarHBondContact O-N 3.35Å; I75-E78 PolarHBondContact O-N 3.02Å; I75-Y79 HydrophobicContact CG2-CD2 3.61Å; I75-Y79 HydrophobicContact CG2-CE2 3.74Å; I75-Y79 PolarHBondContact O-N 2.83Å
76	E	34.6	Very low	36.1	Very low	146 Å²	146	154.4 Å²	154.4	68%	0.682	74%	0.737	S	S	*	*	H	α-helix	trans	-72.3	-17.5	-170.6	-167	168.9	-176.4	0	0	114.6
77	Y	35.7	Very low	35.3	Very low	172 Å²	172	156.4 Å²	156.4	68%	0.675	74%	0.735	S	S	*	*	H	α-helix	trans	-78.9	-42.5	175.5	-171.4	-103.6	0	0	0	112.5	I75 Y79 Q80	I75-Y77 VanDerWaalsContact C-N 3.31Å; I75-Y77 PolarHBondContact O-N 3.35Å; Y77-Y79 VanDerWaalsContact C-N 3.34Å; Y77-Y79 PolarHBondContact O-N 3.37Å; Y77-Q80 PolarHBondContact O-N 2.85Å
78	E	34.1	Very low	35	Very low	146 Å²	146	155.9 Å²	155.9	68%	0.682	72%	0.721	S	S	*	*	H	α-helix	trans	-62.9	-39.2	176.9	-74.6	-74.3	108	0	0	111.6	I75 Q80 N81	I75-E78 PolarHBondContact O-N 3.02Å; E78-Q80 PolarHBondContact O-N 3.26Å; E78-N81 PolarHBondContact O-N 2.89Å
79	Y	36	Very low	34.9	Very low	198 Å²	198	152.8 Å²	152.8	78%	0.776	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-12.1	179.4	-105.2	-94.4	0	0	0	115.2	I75 Y77	I75-Y79 HydrophobicContact CG2-CD2 3.61Å; I75-Y79 HydrophobicContact CG2-CE2 3.74Å; I75-Y79 PolarHBondContact O-N 2.83Å; Y77-Y79 VanDerWaalsContact C-N 3.34Å; Y77-Y79 PolarHBondContact O-N 3.37Å
80	Q	35.7	Very low	34.9	Very low	125 Å²	125	148.6 Å²	148.6	58%	0.584	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-7.2	-179.3	-62.8	-170.3	40.6	0	0	114.5	Y77 E78	Y77-Q80 PolarHBondContact O-N 2.85Å; E78-Q80 PolarHBondContact O-N 3.26Å
81	N	34.4	Very low	34.9	Very low	113 Å²	113	141.6 Å²	141.6	60%	0.604	68%	0.675	S	S	*	*			trans	-143.7	77.3	179	-84.1	-67.4	0	0	0	114	E78 R83	E78-N81 PolarHBondContact O-N 2.89Å; N81-R83 PolarHBondContact O-N 3.09Å
82	P	29.6	Very low	35.2	Very low	117 Å²	117	142.2 Å²	142.2	76%	0.76	67%	0.666	S	S	*	*			trans	-60	107.5	164.4	-19.7	32.5	0	0	0	110.2
83	R	30.6	Very low	35.4	Very low	233 Å²	233	142.6 Å²	142.6	88%	0.879	66%	0.661	S	S	*	*			trans	-63.2	152.5	172.7	-79.4	-171.2	176.2	-166.2	2.5	110.3	N81 S85	N81-R83 PolarHBondContact O-N 3.09Å; R83-S85 PolarHBondContact O-N 3.24Å
84	R	37.1	Very low	35.4	Very low	253 Å²	253	138.4 Å²	138.4	96%	0.955	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.7	5.6	-165	-140.3	175.4	-175.4	179.5	-2	119.4
85	S	35.5	Very low	35.1	Very low	81 Å²	81	137.2 Å²	137.2	57%	0.566	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-37.7	-171.5	161.9	0	0	0	0	114.1	R83 R87 S88	R83-S85 PolarHBondContact O-N 3.24Å; S85-R87 PolarHBondContact O-N 3.29Å; S85-S88 PolarHBondContact O-N 3.44Å; S85-S88 PolarHBondContact O-OG 3.13Å
86	F	33.5	Very low	34.9	Very low	166 Å²	166	139.4 Å²	139.4	73%	0.728	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-13.2	-168.3	-144.1	-90.1	0	0	0	115
87	R	35.5	Very low	35.1	Very low	182 Å²	182	139.4 Å²	139.4	69%	0.687	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-33.4	178.5	-175.7	173.2	172.5	130.4	12.8	113.1	S85 L89 I90 E91	S85-R87 PolarHBondContact O-N 3.29Å; R87-L89 VanDerWaalsContact C-N 3.35Å; R87-I90 PolarHBondContact O-N 2.82Å; R87-E91 IonicContact CZ-OE1 2.75Å; R87-E91 VanDerWaalsContact CZ-OE1 3.24Å; R87-E91 IonicContact NE-OE1 3.19Å; R87-E91 PolarHBondContact NE-OE1 3.3Å; R87-E91 IonicContact NE-OE2 2.76Å; R87-E91 IonicContact NH2-OE1 2.8Å; R87-E91 PolarHBondContact NH2-OE1 3.47Å; R87-E91 PolarHBondContact O-N 3.25Å
88	S	36.5	Very low	35.1	Very low	56 Å²	56	139.6 Å²	139.6	39%	0.392	66%	0.656	S	S	.	*	H	α-helix	trans	-68.7	-35.9	-179.3	56.2	0	0	0	0	111.7	S85 I90 E91 E92	S85-S88 PolarHBondContact O-N 3.44Å; S85-S88 PolarHBondContact O-OG 3.13Å; S88-I90 PolarHBondContact O-N 3.07Å; S88-E91 CarbonylContact O-C 3.08Å; S88-E91 WeakPolarHBondContact O-CA 3.24Å; S88-E91 PolarHBondContact O-N 3.35Å; S88-E92 PolarHBondContact O-N 2.89Å
89	L	36.8	Very low	34.8	Very low	111 Å²	111	141.7 Å²	141.7	58%	0.581	67%	0.666	S	S	*	*	H	α-helix	trans	-61.2	-28.5	178.7	-136.1	77.4	0	0	0	113.6	R87	R87-L89 VanDerWaalsContact C-N 3.35Å
90	I	35.8	Very low	34.4	Very low	108 Å²	108	140 Å²	140	55%	0.554	67%	0.671	S	S	*	*	H	α-helix	trans	-82.6	-37.1	173.2	-61	-64.5	0	0	0	110.8	R87 S88 E92 V94	R87-I90 PolarHBondContact O-N 2.82Å; S88-I90 PolarHBondContact O-N 3.07Å; I90-E92 VanDerWaalsContact C-N 3.3Å; I90-V94 WeakPolarHBondContact O-CB 3.24Å; I90-V94 VanDerWaalsContact O-CG2 3.26Å; I90-V94 WeakPolarHBondContact O-CG2 3.44Å; I90-V94 PolarHBondContact O-N 2.84Å
91	E	36.5	Very low	34.2	Very low	90 Å²	90	138.1 Å²	138.1	42%	0.421	67%	0.671	S	S	.	*	H	α-helix	trans	-72	-22.7	177.6	-70.6	171.8	170	0	0	112	R87 S88 N95	R87-E91 IonicContact CZ-OE1 2.75Å; R87-E91 VanDerWaalsContact CZ-OE1 3.24Å; R87-E91 IonicContact NE-OE1 3.19Å; R87-E91 PolarHBondContact NE-OE1 3.3Å; R87-E91 IonicContact NE-OE2 2.76Å; R87-E91 IonicContact NH2-OE1 2.8Å; R87-E91 PolarHBondContact NH2-OE1 3.47Å; R87-E91 PolarHBondContact O-N 3.25Å; S88-E91 CarbonylContact O-C 3.08Å; S88-E91 WeakPolarHBondContact O-CA 3.24Å; S88-E91 PolarHBondContact O-N 3.35Å; E91-N95 VanDerWaalsContact O-CG 3.29Å; E91-N95 PolarHBondContact O-ND2 2.76Å
92	E	35	Very low	33.8	Very low	121 Å²	121	141.2 Å²	141.2	57%	0.565	68%	0.681	S	S	*	*	H	α-helix	trans	-68.6	-60.8	167.6	-82.7	169.5	132.7	0	0	111.9	S88 I90 V94 N95 E96	S88-E92 PolarHBondContact O-N 2.89Å; I90-E92 VanDerWaalsContact C-N 3.3Å; E92-V94 PolarHBondContact O-N 3.16Å; E92-N95 PolarHBondContact O-N 2.79Å; E92-E96 PolarHBondContact O-N 3.36Å
93	K	36	Very low	33.5	Very low	152 Å²	152	141.8 Å²	141.8	66%	0.661	69%	0.687	S	S	*	*	H	α-helix	trans	-61.3	-19.4	-178.1	-80.9	-151.1	167.9	-158.7	0	115.1
94	V	35.9	Very low	33.2	Very low	90 Å²	90	133.8 Å²	133.8	55%	0.545	68%	0.677	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.6	-20.3	174.8	170.2	0	0	0	0	112.4	I90 E92	I90-V94 WeakPolarHBondContact O-CB 3.24Å; I90-V94 VanDerWaalsContact O-CG2 3.26Å; I90-V94 WeakPolarHBondContact O-CG2 3.44Å; I90-V94 PolarHBondContact O-N 2.84Å; E92-V94 PolarHBondContact O-N 3.16Å
95	N	35	Very low	32.6	Very low	114 Å²	114	130.9 Å²	130.9	61%	0.61	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-23.3	177.3	-70.8	-28.9	0	0	0	113.2	E91 E92 I97 K98	E91-N95 VanDerWaalsContact O-CG 3.29Å; E91-N95 PolarHBondContact O-ND2 2.76Å; E92-N95 PolarHBondContact O-N 2.79Å; N95-I97 PolarHBondContact O-N 3.19Å; N95-K98 PolarHBondContact O-N 2.85Å
96	E	33.8	Very low	32	Very low	153 Å²	153	132 Å²	132	72%	0.715	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-63.7	-21.6	174.1	-65.7	179.2	140.2	0	0	112.8	E92 K98	E92-E96 PolarHBondContact O-N 3.36Å; E96-K98 PolarHBondContact O-N 3.28Å
97	I	37.7	Very low	31.4	Very low	146 Å²	146	133.2 Å²	133.2	75%	0.749	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-87.5	28.4	179.8	-37.1	-179	0	0	0	111.3	N95	N95-I97 PolarHBondContact O-N 3.19Å
98	K	35.3	Very low	30.8	Very low	177 Å²	177	129.7 Å²	129.7	77%	0.77	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-145.4	18.5	-170.8	-90.6	-151.9	170.2	-162.8	0	118	N95 E96	N95-K98 PolarHBondContact O-N 2.85Å; E96-K98 PolarHBondContact O-N 3.28Å
99	E	29.3	Very low	30.2	Very low	189 Å²	189	134.5 Å²	134.5	88%	0.883	70%	0.699	S	S	*	*			trans	-118.5	89.5	159.3	-67.2	-159.9	162.7	0	0	111.1
100	D	27.7	Very low	29.4	Very low	164 Å²	164	135.1 Å²	135.1	88%	0.877	71%	0.707	S	S	*	*			trans	-150.9	154.8	134.8	-122.7	-31.2	0	0	0	109.6
101	S	29.9	Very low	29.5	Very low	85 Å²	85	135.4 Å²	135.4	59%	0.594	72%	0.716	S	S	*	*			trans	-153.6	165.4	-154.7	63.4	0	0	0	0	115.8
102	H	25.9	Very low	29	Very low	177 Å²	177	136.5 Å²	136.5	82%	0.819	72%	0.724	S	S	*	*			trans	68.4	159.5	-178.9	-51	82.2	0	0	0	113.2
103	C	25.1	Very low	28.4	Very low	129 Å²	129	137.5 Å²	137.5	87%	0.872	73%	0.733	S	S	*	*			cis	-160.4	170	-20.7	47	0	0	0	0	107.2
104	G	23.4	Very low	27.9	Very low	66 Å²	66	139 Å²	139	68%	0.68	74%	0.735	S	S	*	*			cis	167	175.5	-1.5	0	0	0	0	0	110.5
105	E	23.5	Very low	27.4	Very low	191 Å²	191	141.9 Å²	141.9	89%	0.893	75%	0.747	S	S	*	*			trans	62.3	173.6	161.4	-67.1	-173.5	175.7	0	0	119.3
106	T	24	Very low	26.9	Very low	106 Å²	106	142.5 Å²	142.5	65%	0.65	75%	0.75	S	S	*	*				-154.1	161.9	-79.4	9.3	0	0	0	0	113.4
107	F	21.4	Very low	26.3	Very low	191 Å²	191	145.2 Å²	145.2	84%	0.838	76%	0.76	S	S	*	*			trans	64.8	161.3	161.9	-72.9	-61.2	0	0	0	118.8
108	T	22.8	Very low	25.6	Very low	107 Å²	107	146.2 Å²	146.2	66%	0.656	76%	0.761	S	S	*	*			cis	-143.8	-156.2	-3.8	-0.3	0	0	0	0	108.7
109	Q	22.6	Very low	25	Very low	158 Å²	158	142.9 Å²	142.9	74%	0.738	75%	0.748	S	S	*	*			cis	-161.5	158	-7.4	-123.1	149.2	-66.7	0	0	106.6
110	V	21.3	Very low	24.8	Very low	124 Å²	124	142 Å²	142	75%	0.752	74%	0.741	S	S	*	*			cis	82.3	137	10.7	-175.5	0	0	0	0	115.4
111	P	37.5	Very low	24.6	Very low	114 Å²	114	142.2 Å²	142.2	74%	0.74	74%	0.735	S	S	*	*			cis	-116.6	-155.3	-7.7	45	-30.8	0	0	0	111.7
112	D	25	Very low	24.2	Very low	113 Å²	113	142.8 Å²	142.8	60%	0.604	74%	0.744	S	S	*	*			cis	-120.6	-102.9	-12.9	-161.9	31.8	0	0	0	110.2	R114	D112-R114 IonicContact OD2-CZ 3.75Å; D112-R114 IonicContact OD2-NE 3.69Å; D112-R114 PolarHBondContact OD2-NE 3.26Å; D112-R114 IonicContact OD2-NH2 2.76Å; D112-R114 PolarHBondContact OD2-NH2 3.26Å
113	D	23.8	Very low	24	Very low	141 Å²	141	139.7 Å²	139.7	75%	0.754	74%	0.742	S	S	*	*			cis	-151	-173.7	-9.6	-164.2	5.1	0	0	0	110.1
114	R	25.9	Very low	24.3	Very low	185 Å²	185	139.3 Å²	139.3	70%	0.698	74%	0.739	S	S	*	*			trans	-118.7	159.7	-141.1	-65.3	168.6	-176.4	-144.6	-5	114.8	D112	D112-R114 IonicContact OD2-CZ 3.75Å; D112-R114 IonicContact OD2-NE 3.69Å; D112-R114 PolarHBondContact OD2-NE 3.26Å; D112-R114 IonicContact OD2-NH2 2.76Å; D112-R114 PolarHBondContact OD2-NH2 3.26Å
115	L	24.8	Very low	24.3	Very low	150 Å²	150	144 Å²	144	79%	0.785	74%	0.743	S	S	*	*				-158.1	134.9	56.7	-83.6	162.9	0	0	0	116.8
116	N	23.2	Very low	24.3	Very low	126 Å²	126	140.4 Å²	140.4	67%	0.674	73%	0.734	S	S	*	*			trans	31.3	137.1	138.3	-71.1	-10	0	0	0	124.6
117	F	22.2	Very low	24.2	Very low	211 Å²	211	144.7 Å²	144.7	93%	0.925	74%	0.743	S	S	*	*				-154.4	162.7	121.2	-121.9	-83.3	0	0	0	111.8
118	Q	22.4	Very low	24.2	Very low	166 Å²	166	140 Å²	140	78%	0.776	73%	0.734	S	S	*	*			trans	-140	179.7	-174.2	-56.2	-173.1	-49.8	0	0	111
119	E	24	Very low	24.1	Very low	108 Å²	108	140.4 Å²	140.4	51%	0.505	74%	0.74	S	S	.	*			cis	-157.5	-176.5	14	-156.8	-96.6	110.1	0	0	109.7	K121	E119-K121 IonicContact OE1-NZ 3.88Å; E119-K121 PolarHBondContact OE1-NZ 2.92Å; E119-K121 IonicContact OE2-NZ 3.92Å; E119-K121 PolarHBondContact OE2-NZ 3.22Å
120	K	23.8	Very low	24.1	Very low	169 Å²	169	138.9 Å²	138.9	74%	0.735	74%	0.737	S	S	*	*			trans	86.7	114.3	164.5	-57.6	172.4	-174.1	172.8	0	116.1
121	K	24.1	Very low	24.3	Very low	170 Å²	170	137 Å²	137	74%	0.739	73%	0.73	S	S	*	*				87.4	139.8	57.1	-78	179.8	-177	106.1	0	112.1	E119	E119-K121 IonicContact OE1-NZ 3.88Å; E119-K121 PolarHBondContact OE1-NZ 2.92Å; E119-K121 IonicContact OE2-NZ 3.92Å; E119-K121 PolarHBondContact OE2-NZ 3.22Å
122	A	21.7	Very low	23.5	Very low	96 Å²	96	140.6 Å²	140.6	79%	0.793	73%	0.734	S	S	*	*			cis	-149.7	174.4	6.8	0	0	0	0	0	112.9
123	S	22.1	Very low	23.4	Very low	112 Å²	112	141.2 Å²	141.2	78%	0.783	74%	0.741	S	S	*	*			trans	-96.9	164.5	163.8	-49.3	0	0	0	0	111.1
124	P	31.3	Very low	23.2	Very low	122 Å²	122	140 Å²	140	79%	0.792	74%	0.742	S	S	*	*				-125.5	-167	92.5	42.1	-36.3	0	0	0	111.1
125	E	22.6	Very low	23	Very low	164 Å²	164	136.1 Å²	136.1	77%	0.766	75%	0.75	S	S	*	*			cis	-141.3	-148.4	4.8	-154.6	-160.4	-66.6	0	0	110.8
126	V	22.8	Very low	22.9	Very low	116 Å²	116	137.3 Å²	137.3	70%	0.703	75%	0.752	S	S	*	*			trans	-144.7	142.4	-165.4	166	0	0	0	0	110.9
127	K	23.7	Very low	22.8	Very low	196 Å²	196	138.3 Å²	138.3	85%	0.852	76%	0.762	S	S	*	*			trans	-168.1	142.2	133.2	-106.6	153.7	-170.7	165.4	0	113.6
128	S	21	Very low	22.8	Very low	91 Å²	91	131.1 Å²	131.1	64%	0.636	75%	0.748	S	S	*	*			trans	-121.1	143.9	179.6	-172.2	0	0	0	0	111.1	D130	S128-D130 PolarHBondContact OG-OD2 3.23Å
129	C	20.6	Very low	22.8	Very low	116 Å²	116	132 Å²	132	78%	0.784	76%	0.756	S	S	*	*				-152.8	136.3	127.5	47.1	0	0	0	0	106.3
130	D	22.1	Very low	22.7	Very low	126 Å²	126	130.5 Å²	130.5	67%	0.674	77%	0.769	S	S	*	*			cis	70.2	131	46.7	-62.2	-63.7	0	0	0	112.6	S128	S128-D130 PolarHBondContact OG-OD2 3.23Å
131	S	24.7	Very low	22.6	Very low	86 Å²	86	130.1 Å²	130.1	60%	0.601	78%	0.775	S	S	*	*			cis	-168.8	-166.5	-6.3	45.4	0	0	0	0	110.4
132	F	22.1	Very low	22.6	Very low	189 Å²	189	127.4 Å²	127.4	83%	0.829	78%	0.777	S	S	*	*			trans	72.5	153	173.1	-68.7	-94.1	0	0	0	119.4
133	V	21.7	Very low	22.6	Very low	126 Å²	126	127.3 Å²	127.3	76%	0.764	77%	0.771	S	S	*	*				-176.6	162.5	-53.5	139.4	0	0	0	0	108.3
134	C	21.1	Very low	22.6	Very low	114 Å²	114	130.8 Å²	130.8	77%	0.77	77%	0.772	S	S	*	*			trans	-50.6	155.2	-171.6	-51.3	0	0	0	0	118.4
135	A	21.7	Very low	22.2	Very low	105 Å²	105	131 Å²	131	87%	0.868	77%	0.767	S	S	*	*			trans	-144.2	149.3	139	0	0	0	0	0	109
136	E	21.6	Very low	22.2	Very low	175 Å²	175	131 Å²	131	82%	0.818	77%	0.769	S	S	*	*			trans	-115.6	-169.5	-170.3	-60.3	-175.7	108.8	0	0	113.1
137	V	21.8	Very low	22.1	Very low	147 Å²	147	129.5 Å²	129.5	89%	0.891	76%	0.764	S	S	*	*			trans	73.4	138.1	165.9	-164	0	0	0	0	115.5
138	G	21.6	Very low	22	Very low	60 Å²	60	127.3 Å²	127.3	62%	0.619	76%	0.76	S	S	*	*			cis	167.4	155.8	-10.6	0	0	0	0	0	113
139	I	22.1	Very low	22.1	Very low	184 Å²	184	134.9 Å²	134.9	94%	0.944	78%	0.775	S	S	*	*			trans	40.9	122.3	155.7	-48.5	178.3	0	0	0	119.2
140	G	22.7	Very low	22.1	Very low	77 Å²	77	132.2 Å²	132.2	79%	0.794	77%	0.766	S	S	*	*			trans	-175.9	108.3	163.8	0	0	0	0	0	113.2
141	N	21.9	Very low	22.2	Very low	160 Å²	160	133.1 Å²	133.1	86%	0.856	77%	0.771	S	S	*	*			trans	-119.4	167.9	-174.2	-111.8	-23	0	0	0	111.9
142	S	23.6	Very low	22.1	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	78%	0.782	S	S	*	*			trans	75.5	160.9	162.3	91.9	0	0	0	0	117
143	S	22.9	Very low	22.3	Very low	95 Å²	95	130.1 Å²	130.1	66%	0.664	78%	0.78	S	S	*	*			cis	-170.4	149.1	-24.3	-104.7	0	0	0	0	113.9
144	F	22.1	Very low	22.4	Very low	184 Å²	184	133.4 Å²	133.4	81%	0.807	79%	0.787	S	S	*	*			trans	64.3	148.3	147.1	-86.9	-92	0	0	0	125.4
145	N	22.2	Very low	22.6	Very low	126 Å²	126	137.7 Å²	137.7	67%	0.674	79%	0.792	S	S	*	*			trans	74.1	102.3	146	-78.6	-17.2	0	0	0	126.3
146	M	22.1	Very low	22.6	Very low	164 Å²	164	136.7 Å²	136.7	81%	0.808	78%	0.784	S	S	*	*				69.5	139.8	105.6	-120.8	166.6	64.3	0	0	125.1
147	S	20.9	Very low	22.7	Very low	86 Å²	86	138.1 Å²	138.1	60%	0.601	78%	0.784	S	S	*	*			trans	93	93.8	143.6	-64.8	0	0	0	0	124.3
148	I	22.1	Very low	22.7	Very low	150 Å²	150	138.3 Å²	138.3	77%	0.769	78%	0.775	S	S	*	*				71.6	123.2	110.5	-73	173.7	0	0	0	123.5
149	R	22.2	Very low	22.6	Very low	250 Å²	250	144.3 Å²	144.3	94%	0.943	78%	0.78	S	S	*	*			trans	82.4	156.1	148.6	-91.4	177.2	-174	-156.9	3.6	123.1
150	G	21.6	Very low	22.7	Very low	59 Å²	59	141.4 Å²	141.4	61%	0.608	76%	0.762	S	S	*	*			trans	99.6	142.7	174.8	0	0	0	0	0	115.5
151	D	23.7	Very low	22.7	Very low	145 Å²	145	144.1 Å²	144.1	78%	0.775	76%	0.755	S	S	*	*			cis	-159.2	171.2	-41.1	-136.3	-48.3	0	0	0	111.8
152	T	23.6	Very low	22.8	Very low	136 Å²	136	145.8 Å²	145.8	83%	0.834	75%	0.75	S	S	*	*			trans	57	163.3	158.3	58.3	0	0	0	0	122.3
153	G	24.6	Very low	22.7	Very low	76 Å²	76	143.4 Å²	143.4	78%	0.784	74%	0.744	S	S	*	*			trans	124.5	103.3	158.1	0	0	0	0	0	118
154	H	24.3	Very low	23	Very low	196 Å²	196	145.3 Å²	145.3	91%	0.907	75%	0.753	S	S	*	*			trans	-141.2	137.1	171.2	-105.9	-83.7	0	0	0	110.9
155	K	26.6	Very low	23.2	Very low	203 Å²	203	145.9 Å²	145.9	88%	0.883	76%	0.756	S	S	*	*			trans	-176.8	132.4	146.1	-104.6	167.1	-177.4	-175.9	0	110.1
156	A	21.8	Very low	23.7	Very low	85 Å²	85	144.3 Å²	144.3	70%	0.702	75%	0.752	S	S	*	*				74	142.4	104.3	0	0	0	0	0	113.4
157	Y	21.8	Very low	23.7	Very low	204 Å²	204	147.1 Å²	147.1	80%	0.8	76%	0.755	S	S	*	*			cis	-147.1	147.2	25.4	46.8	-92.2	0	0	0	109.9
158	E	21.8	Very low	23.8	Very low	152 Å²	152	151.9 Å²	151.9	71%	0.71	77%	0.765	S	S	*	*				56.5	140.9	96.3	-56.5	-174.1	125.8	0	0	115.6
159	Y	20.9	Very low	23.8	Very low	186 Å²	186	150.1 Å²	150.1	73%	0.729	77%	0.765	S	S	*	*			cis	-158.8	172.6	10.2	-129.3	-149.9	0	0	0	108.4
160	Q	23.7	Very low	23.9	Very low	122 Å²	122	146.7 Å²	146.7	57%	0.57	76%	0.76	S	S	*	*			cis	-149	-94.7	-6.7	-165.6	-165.2	-30.5	0	0	112.5
161	E	21.8	Very low	24	Very low	135 Å²	135	152 Å²	152	63%	0.631	77%	0.768	S	S	*	*			trans	-147.7	-177.2	-163.5	-78	177.5	108.7	0	0	109.7
162	Y	24.7	Very low	24.2	Very low	195 Å²	195	150.6 Å²	150.6	77%	0.765	77%	0.767	S	S	*	*			cis	-134.5	-169.9	21.3	-91.3	-97	0	0	0	110.1
163	G	22	Very low	24.3	Very low	63 Å²	63	154.1 Å²	154.1	65%	0.649	77%	0.771	S	S	*	*			cis	126.1	140.5	3.8	0	0	0	0	0	110.3
164	P	29.6	Very low	24.3	Very low	134 Å²	134	157.7 Å²	157.7	87%	0.87	77%	0.772	S	S	*	*			cis	-125.9	-156.4	10.7	43.9	-28	0	0	0	115.3
165	K	25	Very low	24.5	Very low	196 Å²	196	158.2 Å²	158.2	85%	0.852	77%	0.772	S	S	*	*			trans	-135.9	-177.3	-178.2	-88.5	172.5	-176	162.2	0	108.2
166	P	32.4	Very low	24.5	Very low	93 Å²	93	157.5 Å²	157.5	60%	0.604	77%	0.769	S	S	*	*			cis	-134.5	-168.6	17.7	46.5	-26.3	0	0	0	114
167	Y	23.2	Very low	24.5	Very low	223 Å²	223	157.8 Å²	157.8	88%	0.875	77%	0.771	S	S	*	*				-137.7	172.8	68.8	-97.8	-96	0	0	0	114.3
168	K	23.5	Very low	24.5	Very low	187 Å²	187	157.9 Å²	157.9	81%	0.813	78%	0.776	S	S	*	*			trans	-112.2	171.1	-175	-67.4	178.8	-176.1	171.2	0	110.8
169	C	20.6	Very low	24.6	Very low	112 Å²	112	161.6 Å²	161.6	76%	0.757	78%	0.784	S	S	*	*			cis	-137.7	-146.1	7.1	-137.1	0	0	0	0	109.6
170	Q	24.6	Very low	24.7	Very low	178 Å²	178	162.4 Å²	162.4	83%	0.832	79%	0.787	S	S	*	*			cis	-135.6	-122.2	3.9	-156.2	-176.1	15.1	0	0	112.2
171	Q	24.3	Very low	24.5	Very low	170 Å²	170	167 Å²	167	79%	0.794	80%	0.799	S	S	*	*			trans	-153	170.2	-164.3	-76.7	-154.8	23	0	0	111.6
172	P	27.8	Very low	24.7	Very low	116 Å²	116	165.1 Å²	165.1	75%	0.753	80%	0.798	S	S	*	*			cis	-120.1	162.9	3.4	39.3	-26.7	0	0	0	115.4
173	K	25.2	Very low	24.5	Very low	210 Å²	210	161.5 Å²	161.5	91%	0.913	80%	0.801	S	S	*	*			trans	-119.9	121.2	168.6	-70.4	-179	179.7	177.7	0	109.6
174	N	25.2	Very low	24.8	Very low	151 Å²	151	164.7 Å²	164.7	81%	0.807	80%	0.802	S	S	*	*			trans	-150.1	79	169.3	-145.5	-11.5	0	0	0	112.6
175	K	28.1	Very low	24.6	Very low	207 Å²	207	170.3 Å²	170.3	90%	0.9	81%	0.806	S	S	*	*			trans	-138.8	115.7	163.1	-72.3	-166.3	176.4	-175.6	0	108.7	A177	K175-A177 PolarHBondContact O-N 3.19Å
176	K	25.8	Very low	24.6	Very low	189 Å²	189	166.3 Å²	166.3	82%	0.822	80%	0.798	S	S	*	*			trans	-68.9	123.8	-179.4	-65.6	179.2	-179.8	179	0	109.7	F178	K176-F178 PolarHBondContact O-N 2.86Å
177	A	22.5	Very low	24.2	Very low	90 Å²	90	170.1 Å²	170.1	74%	0.744	81%	0.808	S	S	*	*			trans	-79.3	110.4	172.6	0	0	0	0	0	109.8	K175 R179	K175-A177 PolarHBondContact O-N 3.19Å; A177-R179 PolarHBondContact O-N 2.85Å
178	F	22.4	Very low	24.3	Very low	206 Å²	206	168.7 Å²	168.7	90%	0.904	81%	0.809	S	S	*	*			trans	-69.8	91	171.2	-101.6	-92.3	0	0	0	110	K176 Y180	K176-F178 PolarHBondContact O-N 2.86Å; F178-Y180 PolarHBondContact O-N 2.78Å
179	R	22.5	Very low	24.6	Very low	231 Å²	231	169.9 Å²	169.9	87%	0.872	81%	0.809	S	S	*	*			trans	-74	100.5	166	-73.6	-172.9	177	-174.9	-0.3	108.9	A177 R181	A177-R179 PolarHBondContact O-N 2.85Å; R179-R181 PolarHBondContact O-N 3.14Å
180	Y	23.2	Very low	24.9	Very low	202 Å²	202	171.5 Å²	171.5	79%	0.792	81%	0.81	S	S	*	*			trans	-62.4	123.6	165.3	-178.5	-98.1	0	0	0	109.1	F178 P182	F178-Y180 PolarHBondContact O-N 2.78Å; Y180-P182 HydrophobicContact CD1-CG 4.04Å; Y180-P182 HydrophobicContact CE1-CB 4.19Å; Y180-P182 HydrophobicContact CE1-CG 4.02Å
181	R	21.2	Very low	25.2	Very low	220 Å²	220	170.7 Å²	170.7	83%	0.83	81%	0.806	S	S	*	*			trans	-105	106.5	-179.6	-166.8	-177.3	-167	-170.4	4.7	108.2	R179 S183	R179-R181 PolarHBondContact O-N 3.14Å; R181-S183 PolarHBondContact O-N 3.25Å
182	P	25.7	Very low	25.7	Very low	95 Å²	95	167.4 Å²	167.4	62%	0.617	80%	0.797	S	S	*	*			trans	-72.2	113.9	-177.7	-15.9	30.5	0	0	0	111.1	Y180 I184	Y180-P182 HydrophobicContact CD1-CG 4.04Å; Y180-P182 HydrophobicContact CE1-CB 4.19Å; Y180-P182 HydrophobicContact CE1-CG 4.02Å; P182-I184 VanDerWaalsContact C-N 3.33Å; P182-I184 PolarHBondContact O-N 3.07Å; P182-I184 VanDerWaalsContact O-N 3.08Å
183	S	20.6	Very low	26.3	Very low	118 Å²	118	165.4 Å²	165.4	83%	0.825	80%	0.798	S	S	*	*			trans	-84	70.2	177.1	-63.1	0	0	0	0	112	R181	R181-S183 PolarHBondContact O-N 3.25Å
184	I	28.5	Very low	27.2	Very low	131 Å²	131	162.2 Å²	162.2	67%	0.672	79%	0.786	S	S	*	*			trans	-131.9	109.9	165.5	-60.8	-177.8	0	0	0	108.8	P182 T186	P182-I184 VanDerWaalsContact C-N 3.33Å; P182-I184 PolarHBondContact O-N 3.07Å; P182-I184 VanDerWaalsContact O-N 3.08Å; I184-T186 HydrophobicContact CG2-CG2 3.79Å; I184-T186 PolarHBondContact O-N 2.87Å
185	R	24.8	Very low	28.6	Very low	251 Å²	251	159.9 Å²	159.9	95%	0.947	77%	0.769	S	S	*	*			trans	-82.5	65.1	174.7	-166.8	-173.9	-170.5	-172.9	4.4	110.3
186	T	24.4	Very low	29.8	Very low	112 Å²	112	154.3 Å²	154.3	69%	0.687	75%	0.754	S	S	*	*			trans	-87.9	122.3	164	40.2	0	0	0	0	109.1	I184 E188	I184-T186 HydrophobicContact CG2-CG2 3.79Å; I184-T186 PolarHBondContact O-N 2.87Å; T186-E188 PolarHBondContact O-N 2.48Å
187	Q	24.5	Very low	31.5	Very low	174 Å²	174	149.9 Å²	149.9	81%	0.813	73%	0.733	S	S	*	*			trans	-35.9	126.9	175.5	-173.5	175.2	15	0	0	113.1	R189	Q187-R189 PolarHBondContact O-N 3.31Å
188	E	25.6	Very low	33.2	Very low	193 Å²	193	148.2 Å²	148.2	90%	0.902	72%	0.719	S	S	*	*			trans	-63.9	120.2	177.2	-69	177.7	138.5	0	0	109.9	T186	T186-E188 PolarHBondContact O-N 2.48Å
189	R	28.7	Very low	35	Very low	211 Å²	211	138.5 Å²	138.5	80%	0.796	68%	0.677	S	S	*	*			trans	-141.4	130.7	163.5	-89.4	-171.4	161.2	-174.4	-6.2	107.1	Q187 H191	Q187-R189 PolarHBondContact O-N 3.31Å; R189-H191 PolarHBondContact O-N 2.83Å
190	D	27.3	Very low	36.6	Very low	146 Å²	146	137.6 Å²	137.6	78%	0.781	68%	0.679	S	S	*	*			trans	-57.4	123.5	-169.7	-58.4	-86.5	0	0	0	112.2	T192	D190-T192 PolarHBondContact O-N 3.26Å
191	H	31.1	Very low	38.1	Very low	162 Å²	162	132.4 Å²	132.4	75%	0.75	67%	0.668	S	S	*	*			trans	-77.2	67.3	165.3	-82.8	-22.7	0	0	0	109.9	R189 G193	R189-H191 PolarHBondContact O-N 2.83Å; H191-G193 PolarHBondContact O-N 2.93Å
192	T	35.6	Very low	39.5	Very low	100 Å²	100	124.6 Å²	124.6	61%	0.613	65%	0.647	S	S	*	*			trans	-52.2	128.3	149.8	56.3	0	0	0	0	106.9	D190 E194	D190-T192 PolarHBondContact O-N 3.26Å; T192-E194 PolarHBondContact O-N 2.99Å
193	G	40.7	Very low	40.6	Very low	75 Å²	75	122.9 Å²	122.9	77%	0.773	65%	0.646	S	S	*	*	S	Bend	trans	-70	9.6	-166.4	0	0	0	0	0	115.3	H191	H191-G193 PolarHBondContact O-N 2.93Å
194	E	43.1	Very low	42.1	Very low	142 Å²	142	122.9 Å²	122.9	66%	0.664	63%	0.631	S	S	*	*			trans	-72.2	147.4	-172.3	-57.2	-161	152.9	0	0	112	T192	T192-E194 PolarHBondContact O-N 2.99Å
195	K	54.5	Low	43	Very low	103 Å²	103	120.1 Å²	120.1	45%	0.448	62%	0.62	S	S	.	*			trans	-136.5	73.4	179.6	-64.9	-177.4	-178.4	176.4	0	108.3	Y197 F206 I207	K195-Y197 PolarHBondContact O-N 3.49Å; K195-Y197 VanDerWaalsContact O-N 3.08Å; K195-F206 CarbonylContact C-O 3.55Å; K195-F206 WeakPolarHBondContact CA-O 3.42Å; K195-I207 HydrophobicContact CD-CG1 4.45Å; K195-I207 HydrophobicContact CG-CG1 3.92Å
196	P	53.2	Low	44.8	Very low	90 Å²	90	110.1 Å²	110.1	58%	0.584	58%	0.584	S	S	*	*			trans	-59.7	-28.4	-167	-24.6	35.1	0	0	0	113	A198	P196-A198 PolarHBondContact O-N 2.64Å
197	Y	60.8	Low	46.1	Very low	95 Å²	95	108.3 Å²	108.3	37%	0.373	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.5	87.6	-172.5	-53.5	-70.7	0	0	0	111.7	K195 T205 F206 I207 H209 I212	K195-Y197 PolarHBondContact O-N 3.49Å; K195-Y197 VanDerWaalsContact O-N 3.08Å; Y197-T205 WeakPolarHBondContact O-CA 3.37Å; Y197-F206 PolarHBondContact N-O 3.49Å; Y197-F206 PolarHBondContact O-N 3.35Å; Y197-I207 WeakPolarHBondContact CD2-O 3.46Å; Y197-I207 WeakPolarHBondContact CE2-O 3.35Å; Y197-H209 HydrophobicContact CD1-CB 4.2Å; Y197-H209 AromaticContact CD1-CD2 3.91Å; Y197-H209 HydrophobicContact CE1-CB 3.91Å; Y197-H209 HydrophobicContact CE2-CB 4.31Å; Y197-I212 HydrophobicContact CG-CG2 4.26Å
198	A	58.9	Low	47.8	Very low	55 Å²	55	105.7 Å²	105.7	46%	0.455	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.3	127.4	174.3	0	0	0	0	0	112.6	P196 K200 T205 I212	P196-A198 PolarHBondContact O-N 2.64Å; A198-K200 PolarHBondContact O-N 2.78Å; A198-T205 HydrophobicContact CB-CG2 4Å; A198-I212 VanDerWaalsContact C-CD1 3.47Å; A198-I212 WeakPolarHBondContact O-CD1 3.14Å
199	C	60.2	Low	49.1	Very low	2 Å²	2	101.7 Å²	101.7	1%	0.014	54%	0.536	C	S	.	.			trans	-69.5	110.9	171.5	175.1	0	0	0	0	110.8	V201 C202 G203 K204 F206 I212 H215 M216 H219	C199-V201 PolarHBondContact O-N 2.94Å; C199-V201 VanDerWaalsContact O-N 3.12Å; C199-C202 PolarHBondContact O-N 2.91Å; C199-G203 WeakPolarHBondContact O-CA 3.43Å; C199-G203 PolarHBondContact O-N 3.03Å; C199-K204 WeakPolarHBondContact CB-O 3.42Å; C199-K204 PolarHBondContact N-O 3.43Å; C199-F206 HydrophobicContact CB-CE2 4.34Å; C199-I212 HydrophobicContact CB-CD1 4.35Å; C199-H215 PolarHBondContact SG-NE2 3.19Å; C199-M216 VanDerWaalsContact SG-SD 3.62Å; C199-H219 PolarHBondContact SG-NE2 2.92Å
200	K	57.3	Low	50.3	Low	213 Å²	213	95.5 Å²	95.5	93%	0.926	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.3	179	-63.2	-174	178.7	-177	0	113.7	A198	A198-K200 PolarHBondContact O-N 2.78Å
201	V	54.1	Low	51.8	Low	93 Å²	93	89.9 Å²	89.9	56%	0.564	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-31.8	-177	-174.4	0	0	0	0	113.5	C199 M216 H219	C199-V201 PolarHBondContact O-N 2.94Å; C199-V201 VanDerWaalsContact O-N 3.12Å; V201-M216 HydrophobicContact CG2-CE 4.1Å; V201-H219 HydrophobicContact CG1-CB 4.35Å; V201-H219 HydrophobicContact CG2-CB 4.48Å
202	C	50.5	Low	53.5	Low	56 Å²	56	83.1 Å²	83.1	38%	0.378	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	9	-174.5	79.6	0	0	0	0	116.6	C199 K204 H215	C199-C202 PolarHBondContact O-N 2.91Å; C202-K204 PolarHBondContact O-N 2.9Å; C202-K204 VanDerWaalsContact O-N 3.13Å; C202-H215 PolarHBondContact SG-NE2 3.33Å
203	G	48.1	Very low	54.5	Low	59 Å²	59	87.2 Å²	87.2	61%	0.608	47%	0.471	S	S	*	.			trans	69.5	6	173.2	0	0	0	0	0	115.9	C199	C199-G203 WeakPolarHBondContact O-CA 3.43Å; C199-G203 PolarHBondContact O-N 3.03Å
204	K	52.3	Low	55.4	Low	118 Å²	118	90.1 Å²	90.1	51%	0.513	46%	0.459	S	S	.	.			trans	-72.3	129	174.9	-71.6	179.7	-177.6	176.3	0	110.4	C199 C202 F206	C199-K204 WeakPolarHBondContact CB-O 3.42Å; C199-K204 PolarHBondContact N-O 3.43Å; C202-K204 PolarHBondContact O-N 2.9Å; C202-K204 VanDerWaalsContact O-N 3.13Å; K204-F206 HydrophobicContact CB-CE2 3.68Å; K204-F206 HydrophobicContact CB-CZ 3.89Å; K204-F206 WeakPolarHBondContact O-CD2 3.49Å; K204-F206 WeakPolarHBondContact O-CE2 3.22Å
205	T	48.3	Very low	56.5	Low	72 Å²	72	83.9 Å²	83.9	44%	0.442	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.7	179.1	58	0	0	0	0	111.7	Y197 A198	Y197-T205 WeakPolarHBondContact O-CA 3.37Å; A198-T205 HydrophobicContact CB-CG2 4Å
206	F	62.3	Low	56.8	Low	42 Å²	42	81.7 Å²	81.7	18%	0.184	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.2	-175.7	-60.6	-90	0	0	0	110.8	K195 Y197 C199 K204 I212 H215	K195-F206 CarbonylContact C-O 3.55Å; K195-F206 WeakPolarHBondContact CA-O 3.42Å; Y197-F206 PolarHBondContact N-O 3.49Å; Y197-F206 PolarHBondContact O-N 3.35Å; C199-F206 HydrophobicContact CB-CE2 4.34Å; K204-F206 HydrophobicContact CB-CE2 3.68Å; K204-F206 HydrophobicContact CB-CZ 3.89Å; K204-F206 WeakPolarHBondContact O-CD2 3.49Å; K204-F206 WeakPolarHBondContact O-CE2 3.22Å; F206-I212 HydrophobicContact CB-CB 4.32Å; F206-I212 HydrophobicContact CD2-CB 3.83Å; F206-I212 HydrophobicContact CD2-CG1 4.19Å; F206-I212 HydrophobicContact CG-CB 4.22Å; F206-H215 HydrophobicContact CE1-CB 4.05Å; F206-H215 HydrophobicContact CE2-CB 3.97Å; F206-H215 AromaticContact CE2-CD2 3.39Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.27Å; F206-H215 AromaticContact CE2-CG 3.68Å; F206-H215 HydrophobicContact CZ-CB 3.52Å; F206-H215 AromaticContact CZ-CD2 3.51Å; F206-H215 AromaticContact CZ-CG 3.31Å; F206-H215 AromaticContact CZ-ND1 3.88Å
207	I	51.5	Low	57.2	Low	73 Å²	73	79 Å²	79	37%	0.374	40%	0.404	S	S	.	.	S	Bend	trans	-74.6	-35.4	178	-59.1	169.8	0	0	0	110.8	K195 Y197	K195-I207 HydrophobicContact CD-CG1 4.45Å; K195-I207 HydrophobicContact CG-CG1 3.92Å; Y197-I207 WeakPolarHBondContact CD2-O 3.46Å; Y197-I207 WeakPolarHBondContact CE2-O 3.35Å
208	F	60	Low	56.9	Low	120 Å²	120	77.6 Å²	77.6	53%	0.526	40%	0.401	S	S	.	.	S	Bend	trans	-120.1	141.4	-174.1	-55.5	-66.5	0	0	0	112.9	S210 S211 I212	F208-S210 VanDerWaalsContact C-N 3.26Å; F208-S210 PolarHBondContact O-N 3.37Å; F208-S211 WeakPolarHBondContact O-CB 3.48Å; F208-S211 PolarHBondContact O-N 3.44Å; F208-I212 PolarHBondContact O-N 3.45Å
209	H	53.6	Low	57	Low	108 Å²	108	78.4 Å²	78.4	50%	0.5	40%	0.396	S	S	.	.	H	α-helix	trans	-58.9	-35.9	176.9	-170.5	-127.5	0	0	0	112.9	Y197 S211 I212 R213	Y197-H209 HydrophobicContact CD1-CB 4.2Å; Y197-H209 AromaticContact CD1-CD2 3.91Å; Y197-H209 HydrophobicContact CE1-CB 3.91Å; Y197-H209 HydrophobicContact CE2-CB 4.31Å; H209-S211 VanDerWaalsContact C-N 3.26Å; H209-S211 PolarHBondContact O-N 3.09Å; H209-I212 WeakPolarHBondContact O-CG2 3.41Å; H209-I212 PolarHBondContact O-N 3.18Å; H209-R213 PolarHBondContact O-N 3.46Å
210	S	53.1	Low	57	Low	82 Å²	82	81.9 Å²	81.9	57%	0.573	42%	0.42	S	S	*	.	H	α-helix	trans	-60	-33.5	172.8	57.7	0	0	0	0	113.2	F208 R214	F208-S210 VanDerWaalsContact C-N 3.26Å; F208-S210 PolarHBondContact O-N 3.37Å; S210-R214 VanDerWaalsContact O-CB 3.23Å; S210-R214 WeakPolarHBondContact O-CB 3.36Å; S210-R214 PolarHBondContact O-N 2.9Å
211	S	59.3	Low	57.1	Low	27 Å²	27	72.9 Å²	72.9	19%	0.189	39%	0.387	C	S	.	.	H	α-helix	trans	-79.6	-32.6	-179	-68.3	0	0	0	0	113	F208 H209 H215	F208-S211 WeakPolarHBondContact O-CB 3.48Å; F208-S211 PolarHBondContact O-N 3.44Å; H209-S211 VanDerWaalsContact C-N 3.26Å; H209-S211 PolarHBondContact O-N 3.09Å; S211-H215 VanDerWaalsContact O-CB 3.3Å; S211-H215 WeakPolarHBondContact O-CB 3.34Å; S211-H215 PolarHBondContact O-N 2.97Å; S211-H215 VanDerWaalsContact O-N 3.12Å
212	I	65.3	Low	57.3	Low	21 Å²	21	74.1 Å²	74.1	11%	0.108	39%	0.391	C	S	.	.	H	α-helix	trans	-70.2	-43.7	167.7	-175.8	167.9	0	0	0	111.1	Y197 A198 C199 F206 F208 H209 R214 H215 M216	Y197-I212 HydrophobicContact CG-CG2 4.26Å; A198-I212 VanDerWaalsContact C-CD1 3.47Å; A198-I212 WeakPolarHBondContact O-CD1 3.14Å; C199-I212 HydrophobicContact CB-CD1 4.35Å; F206-I212 HydrophobicContact CB-CB 4.32Å; F206-I212 HydrophobicContact CD2-CB 3.83Å; F206-I212 HydrophobicContact CD2-CG1 4.19Å; F206-I212 HydrophobicContact CG-CB 4.22Å; F208-I212 PolarHBondContact O-N 3.45Å; H209-I212 WeakPolarHBondContact O-CG2 3.41Å; H209-I212 PolarHBondContact O-N 3.18Å; I212-R214 VanDerWaalsContact C-N 3.34Å; I212-R214 PolarHBondContact O-N 3.47Å; I212-H215 CarbonylContact O-C 3.18Å; I212-H215 WeakPolarHBondContact O-CA 3.36Å; I212-H215 WeakPolarHBondContact O-CB 3.42Å; I212-H215 PolarHBondContact O-N 3.1Å; I212-M216 HydrophobicContact CG1-CG 4.19Å; I212-M216 WeakPolarHBondContact O-CG 3.42Å; I212-M216 PolarHBondContact O-N 3.14Å
213	R	57.8	Low	57.8	Low	185 Å²	185	71.6 Å²	71.6	70%	0.698	37%	0.374	S	S	*	.	H	α-helix	trans	-56.7	-47.9	177.6	-176.5	-179.3	-88.1	-166.2	-5.8	110.9	H209 H215 M216	H209-R213 PolarHBondContact O-N 3.46Å; R213-H215 PolarHBondContact O-N 2.77Å; R213-M216 PolarHBondContact O-N 3.45Å
214	R	60.4	Low	58.3	Low	136 Å²	136	74 Å²	74	51%	0.513	38%	0.377	S	S	.	.	H	α-helix	trans	-65.4	-21.5	174.8	-176.2	168.8	62.2	149.2	-6.9	114.4	S210 I212 H235	S210-R214 VanDerWaalsContact O-CB 3.23Å; S210-R214 WeakPolarHBondContact O-CB 3.36Å; S210-R214 PolarHBondContact O-N 2.9Å; I212-R214 VanDerWaalsContact C-N 3.34Å; I212-R214 PolarHBondContact O-N 3.47Å; R214-H235 WeakPolarHBondContact CD-NE2 3.48Å; R214-H235 HydrophobicContact CG-CB 4.47Å; R214-H235 WeakPolarHBondContact CG-CE1 3.45Å; R214-H235 WeakPolarHBondContact CG-ND1 3.49Å; R214-H235 PolarHBondContact O-ND1 3.4Å
215	H	64.6	Low	58.8	Low	11 Å²	11	72.9 Å²	72.9	5%	0.051	37%	0.37	C	S	.	.	H	α-helix	trans	-82.2	-36.2	172.1	168.3	60.9	0	0	0	112.6	C199 C202 F206 S211 I212 R213 V217 M218 H219	C199-H215 PolarHBondContact SG-NE2 3.19Å; C202-H215 PolarHBondContact SG-NE2 3.33Å; F206-H215 HydrophobicContact CE1-CB 4.05Å; F206-H215 HydrophobicContact CE2-CB 3.97Å; F206-H215 AromaticContact CE2-CD2 3.39Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.27Å; F206-H215 AromaticContact CE2-CG 3.68Å; F206-H215 HydrophobicContact CZ-CB 3.52Å; F206-H215 AromaticContact CZ-CD2 3.51Å; F206-H215 AromaticContact CZ-CG 3.31Å; F206-H215 AromaticContact CZ-ND1 3.88Å; S211-H215 VanDerWaalsContact O-CB 3.3Å; S211-H215 WeakPolarHBondContact O-CB 3.34Å; S211-H215 PolarHBondContact O-N 2.97Å; S211-H215 VanDerWaalsContact O-N 3.12Å; I212-H215 CarbonylContact O-C 3.18Å; I212-H215 WeakPolarHBondContact O-CA 3.36Å; I212-H215 WeakPolarHBondContact O-CB 3.42Å; I212-H215 PolarHBondContact O-N 3.1Å; R213-H215 PolarHBondContact O-N 2.77Å; H215-V217 PolarHBondContact O-N 2.98Å; H215-M218 WeakPolarHBondContact ND1-CE 3.43Å; H215-M218 PolarHBondContact O-N 3.18Å; H215-M218 VanDerWaalsContact O-N 3.1Å; H215-H219 AromaticContact CD2-NE2 3.94Å; H215-H219 AromaticContact CE1-NE2 3.42Å; H215-H219 PolarHBondContact CE1-NE2 3.4Å; H215-H219 AromaticContact NE2-CD2 3.96Å; H215-H219 AromaticContact NE2-NE2 3.09Å; H215-H219 PolarHBondContact NE2-NE2 3.33Å
216	M	60.9	Low	59.7	Low	58 Å²	58	75.2 Å²	75.2	29%	0.286	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-27.9	179.9	-69	-60.3	-67.2	0	0	113	C199 V201 I212 R213 M218 H219 S220	C199-M216 VanDerWaalsContact SG-SD 3.62Å; V201-M216 HydrophobicContact CG2-CE 4.1Å; I212-M216 HydrophobicContact CG1-CG 4.19Å; I212-M216 WeakPolarHBondContact O-CG 3.42Å; I212-M216 PolarHBondContact O-N 3.14Å; R213-M216 PolarHBondContact O-N 3.45Å; M216-M218 PolarHBondContact O-N 2.91Å; M216-M218 VanDerWaalsContact O-N 3.09Å; M216-H219 WeakPolarHBondContact O-CA 3.29Å; M216-H219 PolarHBondContact O-N 3.05Å; M216-S220 PolarHBondContact O-N 3.26Å; M216-S220 PolarHBondContact O-OG 3.15Å
217	V	61.2	Low	59.8	Low	34 Å²	34	73.3 Å²	73.3	21%	0.206	37%	0.366	C	S	.	.	H	α-helix	trans	-51.2	-31.2	171.8	-178.5	0	0	0	0	113	H215 H219 G221 H235	H215-V217 PolarHBondContact O-N 2.98Å; V217-H219 VanDerWaalsContact C-N 3.27Å; V217-H219 PolarHBondContact O-N 2.93Å; V217-G221 PolarHBondContact O-N 2.78Å; V217-H235 HydrophobicContact CG1-CB 4.35Å
218	M	56.4	Low	60.3	Low	64 Å²	64	78.8 Å²	78.8	32%	0.315	39%	0.387	S	S	.	.	H	α-helix	trans	-77.6	-7.9	176.8	-62.8	-172.3	-65.2	0	0	114.2	H215 M216 A233 F234	H215-M218 WeakPolarHBondContact ND1-CE 3.43Å; H215-M218 PolarHBondContact O-N 3.18Å; H215-M218 VanDerWaalsContact O-N 3.1Å; M216-M218 PolarHBondContact O-N 2.91Å; M216-M218 VanDerWaalsContact O-N 3.09Å; M218-A233 WeakPolarHBondContact CA-O 3.44Å; M218-A233 WeakPolarHBondContact CG-O 3.5Å; M218-F234 HydrophobicContact SD-CD1 4.1Å; M218-F234 HydrophobicContact SD-CE1 3.98Å
219	H	60.6	Low	60	Low	73 Å²	73	78.9 Å²	78.9	34%	0.338	39%	0.388	S	S	.	.	H	α-helix	trans	-107	-38.1	173.5	-54.4	-63	0	0	0	111.6	C199 V201 H215 M216 V217	C199-H219 PolarHBondContact SG-NE2 2.92Å; V201-H219 HydrophobicContact CG1-CB 4.35Å; V201-H219 HydrophobicContact CG2-CB 4.48Å; H215-H219 AromaticContact CD2-NE2 3.94Å; H215-H219 AromaticContact CE1-NE2 3.42Å; H215-H219 PolarHBondContact CE1-NE2 3.4Å; H215-H219 AromaticContact NE2-CD2 3.96Å; H215-H219 AromaticContact NE2-NE2 3.09Å; H215-H219 PolarHBondContact NE2-NE2 3.33Å; M216-H219 WeakPolarHBondContact O-CA 3.29Å; M216-H219 PolarHBondContact O-N 3.05Å; V217-H219 VanDerWaalsContact C-N 3.27Å; V217-H219 PolarHBondContact O-N 2.93Å
220	S	60.6	Low	60.5	Low	75 Å²	75	76.1 Å²	76.1	52%	0.524	38%	0.38	S	S	.	.	H	α-helix	trans	-71.6	-29.3	179.5	-48.2	0	0	0	0	113.6	M216 D222	M216-S220 PolarHBondContact O-N 3.26Å; M216-S220 PolarHBondContact O-OG 3.15Å; S220-D222 WeakPolarHBondContact CB-OD2 3.44Å
221	G	57.9	Low	60.7	Low	23 Å²	23	75 Å²	75	24%	0.237	38%	0.38	C	S	.	.	S	Bend	trans	92.2	-3.5	-179.2	0	0	0	0	0	114.9	V217 G223 K226 A233	V217-G221 PolarHBondContact O-N 2.78Å; G221-G223 PolarHBondContact O-N 2.89Å; G221-K226 WeakPolarHBondContact O-CE 3.46Å; G221-K226 PolarHBondContact O-NZ 3.42Å; G221-A233 WeakPolarHBondContact O-CB 3.43Å
222	D	58.7	Low	61	Low	120 Å²	120	78.9 Å²	78.9	64%	0.642	39%	0.394	S	S	*	.			trans	-81.5	14.3	-176.7	-47.3	-54.7	0	0	0	114.5	S220	S220-D222 WeakPolarHBondContact CB-OD2 3.44Å
223	G	60.5	Low	60.7	Low	2 Å²	2	77.9 Å²	77.9	2%	0.021	39%	0.389	C	S	.	.			trans	-70.3	132.9	174.7	0	0	0	0	0	111.3	G221 Y225 K226 F234	G221-G223 PolarHBondContact O-N 2.89Å; G223-Y225 PolarHBondContact O-N 3.1Å; G223-Y225 VanDerWaalsContact O-N 3.1Å; G223-K226 WeakPolarHBondContact O-CE 3.26Å; G223-K226 VanDerWaalsContact O-CG 3.28Å; G223-K226 WeakPolarHBondContact O-CG 3.14Å; G223-F234 CarbonylContact C-O 3.56Å
224	T	58.8	Low	61.2	Low	110 Å²	110	70 Å²	70	68%	0.675	36%	0.36	S	S	*	.	S	Bend	trans	-57.9	-21.9	179.4	39.4	0	0	0	0	114.2	F234	T224-F234 PolarHBondContact N-O 3.2Å
225	Y	63.3	Low	61.2	Low	95 Å²	95	66.4 Å²	66.4	37%	0.373	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	102.9	178.5	-54.5	-79.9	0	0	0	110.5	G223 F234 F237	G223-Y225 PolarHBondContact O-N 3.1Å; G223-Y225 VanDerWaalsContact O-N 3.1Å; Y225-F234 PolarHBondContact N-O 3.43Å; Y225-F234 VanDerWaalsContact N-O 3.11Å; Y225-F234 PolarHBondContact O-N 3.26Å; Y225-F237 HydrophobicContact CD1-CB 4.06Å; Y225-F237 AromaticContact CD1-CD2 3.59Å; Y225-F237 HydrophobicContact CD1-CD2 3.59Å; Y225-F237 HydrophobicContact CD1-CE2 4.48Å; Y225-F237 HydrophobicContact CD1-CG 4.22Å; Y225-F237 HydrophobicContact CD2-CB 4.21Å; Y225-F237 VanDerWaalsContact CD2-N 3.29Å; Y225-F237 HydrophobicContact CE1-CB 3.78Å; Y225-F237 AromaticContact CE1-CD2 3.77Å; Y225-F237 HydrophobicContact CE1-CD2 3.77Å; Y225-F237 HydrophobicContact CE1-CG 4.04Å; Y225-F237 HydrophobicContact CE2-CB 3.94Å; Y225-F237 VanDerWaalsContact CE2-N 3.34Å; Y225-F237 HydrophobicContact CG-CB 4.26Å; Y225-F237 HydrophobicContact CG-CD2 4.26Å
226	K	67	Low	60.9	Low	121 Å²	121	67.7 Å²	67.7	53%	0.526	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.9	-174.6	-50.1	-164.6	-168.2	-160.4	0	111.8	G221 G223 K228 A233 Y240	G221-K226 WeakPolarHBondContact O-CE 3.46Å; G221-K226 PolarHBondContact O-NZ 3.42Å; G223-K226 WeakPolarHBondContact O-CE 3.26Å; G223-K226 VanDerWaalsContact O-CG 3.28Å; G223-K226 WeakPolarHBondContact O-CG 3.14Å; K226-K228 PolarHBondContact O-N 3.19Å; K226-A233 HydrophobicContact CD-CB 4.38Å; K226-A233 HydrophobicContact CG-CB 3.95Å; K226-Y240 WeakPolarHBondContact O-CE2 3.27Å
227	C	65.3	Low	60.4	Low	1 Å²	1	69.8 Å²	69.8	1%	0.007	37%	0.367	C	S	.	.			trans	-70.7	110.5	-176.7	-177	0	0	0	0	112	F229 C230 G231 K232 F234 H247	C227-F229 PolarHBondContact O-N 3.44Å; C227-F229 VanDerWaalsContact O-N 3.11Å; C227-C230 PolarHBondContact O-N 3.04Å; C227-C230 VanDerWaalsContact O-N 3.11Å; C227-G231 WeakPolarHBondContact O-CA 3.35Å; C227-G231 PolarHBondContact O-N 3.12Å; C227-K232 WeakPolarHBondContact CB-O 3.49Å; C227-K232 PolarHBondContact N-O 3.46Å; C227-F234 HydrophobicContact CB-CE2 4.31Å; C227-H247 PolarHBondContact SG-NE2 2.75Å; C227-H247 VanDerWaalsContact SG-NE2 3.4Å
228	K	60.1	Low	60.2	Low	188 Å²	188	71.9 Å²	71.9	82%	0.817	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-32.9	-179.4	-61.6	-177.6	-179.8	-178.5	0	113.4	K226	K226-K228 PolarHBondContact O-N 3.19Å
229	F	55.1	Low	60.1	Low	123 Å²	123	72.2 Å²	72.2	54%	0.539	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-17	-178.3	-59.3	-77	0	0	0	115.5	C227 E244 H247	C227-F229 PolarHBondContact O-N 3.44Å; C227-F229 VanDerWaalsContact O-N 3.11Å; F229-E244 HydrophobicContact CD2-CG 4.49Å; F229-E244 HydrophobicContact CE2-CG 4.15Å; F229-H247 HydrophobicContact CB-CB 4.09Å; F229-H247 HydrophobicContact CD1-CB 4.48Å; F229-H247 HydrophobicContact CD2-CB 3.94Å; F229-H247 HydrophobicContact CG-CB 3.91Å; F229-H247 AromaticContact CG-CG 3.98Å
230	C	62.8	Low	60.3	Low	50 Å²	50	69.8 Å²	69.8	34%	0.338	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.1	19.2	-178.7	73.1	0	0	0	0	116.5	C227 K232 H243 H247	C227-C230 PolarHBondContact O-N 3.04Å; C227-C230 VanDerWaalsContact O-N 3.11Å; C230-K232 PolarHBondContact O-N 3.44Å; C230-H243 PolarHBondContact SG-NE2 3.13Å; C230-H247 VanDerWaalsContact SG-CE1 3.56Å
231	G	58.8	Low	60.1	Low	57 Å²	57	69 Å²	69	59%	0.588	36%	0.363	S	S	*	.			trans	70.7	-13.9	174.9	0	0	0	0	0	116.6	C227 A233	C227-G231 WeakPolarHBondContact O-CA 3.35Å; C227-G231 PolarHBondContact O-N 3.12Å; G231-A233 PolarHBondContact O-N 3.39Å
232	K	64.4	Low	60.1	Low	109 Å²	109	70.7 Å²	70.7	47%	0.474	37%	0.366	S	S	.	.			trans	-62.4	127.3	-174.9	-71.3	175.2	-171.4	136.3	0	112.2	C227 C230 F234	C227-K232 WeakPolarHBondContact CB-O 3.49Å; C227-K232 PolarHBondContact N-O 3.46Å; C230-K232 PolarHBondContact O-N 3.44Å; K232-F234 HydrophobicContact CB-CE2 3.74Å; K232-F234 HydrophobicContact CB-CZ 4.06Å; K232-F234 WeakPolarHBondContact O-CD2 3.31Å; K232-F234 VanDerWaalsContact O-CE2 3.27Å; K232-F234 WeakPolarHBondContact O-CE2 3.5Å
233	A	59.8	Low	60.2	Low	1 Å²	1	66.3 Å²	66.3	1%	0.008	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.1	-178.4	0	0	0	0	0	111.9	M218 G221 K226 G231	M218-A233 WeakPolarHBondContact CA-O 3.44Å; M218-A233 WeakPolarHBondContact CG-O 3.5Å; G221-A233 WeakPolarHBondContact O-CB 3.43Å; K226-A233 HydrophobicContact CD-CB 4.38Å; K226-A233 HydrophobicContact CG-CB 3.95Å; G231-A233 PolarHBondContact O-N 3.39Å
234	F	67.6	Low	60.2	Low	19 Å²	19	68.1 Å²	68.1	8%	0.083	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.3	-177.3	-62.3	-93.3	0	0	0	110.6	M218 G223 T224 Y225 C227 K232 S236 L239 H243	M218-F234 HydrophobicContact SD-CD1 4.1Å; M218-F234 HydrophobicContact SD-CE1 3.98Å; G223-F234 CarbonylContact C-O 3.56Å; T224-F234 PolarHBondContact N-O 3.2Å; Y225-F234 PolarHBondContact N-O 3.43Å; Y225-F234 VanDerWaalsContact N-O 3.11Å; Y225-F234 PolarHBondContact O-N 3.26Å; C227-F234 HydrophobicContact CB-CE2 4.31Å; K232-F234 HydrophobicContact CB-CE2 3.74Å; K232-F234 HydrophobicContact CB-CZ 4.06Å; K232-F234 WeakPolarHBondContact O-CD2 3.31Å; K232-F234 VanDerWaalsContact O-CE2 3.27Å; K232-F234 WeakPolarHBondContact O-CE2 3.5Å; F234-S236 PolarHBondContact O-N 3.39Å; F234-L239 HydrophobicContact CD1-CB 4Å; F234-H243 HydrophobicContact CE1-CB 4.07Å; F234-H243 HydrophobicContact CE2-CB 3.99Å; F234-H243 AromaticContact CE2-CD2 3.32Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.46Å; F234-H243 AromaticContact CE2-CG 3.83Å; F234-H243 HydrophobicContact CZ-CB 3.57Å; F234-H243 AromaticContact CZ-CD2 3.32Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.35Å; F234-H243 AromaticContact CZ-CG 3.41Å; F234-H243 VanDerWaalsContact CZ-CG 3.41Å
235	H	60.8	Low	60.7	Low	60 Å²	60	65.5 Å²	65.5	28%	0.278	33%	0.327	S	S	.	.	S	Bend	trans	-80.2	4.2	177.4	65.6	-98.9	0	0	0	113.7	R214 V217 L239	R214-H235 WeakPolarHBondContact CD-NE2 3.48Å; R214-H235 HydrophobicContact CG-CB 4.47Å; R214-H235 WeakPolarHBondContact CG-CE1 3.45Å; R214-H235 WeakPolarHBondContact CG-ND1 3.49Å; R214-H235 PolarHBondContact O-ND1 3.4Å; V217-H235 HydrophobicContact CG1-CB 4.35Å; H235-L239 VanDerWaalsContact CE1-CD1 3.49Å; H235-L239 WeakPolarHBondContact CE1-CD1 3.46Å; H235-L239 WeakPolarHBondContact NE2-CD1 3.14Å
236	S	58.8	Low	60.3	Low	38 Å²	38	64.9 Å²	64.9	27%	0.266	33%	0.334	S	S	.	.	S	Bend	trans	-156.2	130.8	-174.5	173.7	0	0	0	0	110.6	F234 S238 L239 Y240	F234-S236 PolarHBondContact O-N 3.39Å; S236-S238 VanDerWaalsContact C-N 3.26Å; S236-S238 PolarHBondContact O-N 2.79Å; S236-L239 PolarHBondContact O-N 2.85Å; S236-L239 VanDerWaalsContact O-N 3.08Å; S236-Y240 PolarHBondContact O-N 2.89Å
237	F	50.6	Low	59.7	Low	103 Å²	103	62.6 Å²	62.6	45%	0.452	33%	0.325	S	S	.	.	H	α-helix	trans	-58.5	-36.4	179.9	-171.6	-130.4	0	0	0	112.7	Y225 L239 Y240 L241	Y225-F237 HydrophobicContact CD1-CB 4.06Å; Y225-F237 AromaticContact CD1-CD2 3.59Å; Y225-F237 HydrophobicContact CD1-CD2 3.59Å; Y225-F237 HydrophobicContact CD1-CE2 4.48Å; Y225-F237 HydrophobicContact CD1-CG 4.22Å; Y225-F237 HydrophobicContact CD2-CB 4.21Å; Y225-F237 VanDerWaalsContact CD2-N 3.29Å; Y225-F237 HydrophobicContact CE1-CB 3.78Å; Y225-F237 AromaticContact CE1-CD2 3.77Å; Y225-F237 HydrophobicContact CE1-CD2 3.77Å; Y225-F237 HydrophobicContact CE1-CG 4.04Å; Y225-F237 HydrophobicContact CE2-CB 3.94Å; Y225-F237 VanDerWaalsContact CE2-N 3.34Å; Y225-F237 HydrophobicContact CG-CB 4.26Å; Y225-F237 HydrophobicContact CG-CD2 4.26Å; F237-L239 VanDerWaalsContact C-N 3.31Å; F237-L239 PolarHBondContact O-N 3.41Å; F237-Y240 AromaticContact CD2-CD1 3.76Å; F237-Y240 HydrophobicContact CD2-CD1 3.76Å; F237-Y240 HydrophobicContact CD2-CE1 4.42Å; F237-Y240 HydrophobicContact CD2-CG 4.48Å; F237-Y240 AromaticContact CE2-CD1 3.79Å; F237-Y240 HydrophobicContact CE2-CD1 3.79Å; F237-Y240 HydrophobicContact CE2-CE1 4.02Å; F237-Y240 WeakPolarHBondContact O-CB 3.33Å; F237-Y240 PolarHBondContact O-N 2.87Å; F237-L241 HydrophobicContact CD1-CD1 3.94Å; F237-L241 HydrophobicContact CD1-CG 4.44Å; F237-L241 HydrophobicContact CD2-CG 4.31Å; F237-L241 HydrophobicContact CE1-CD1 3.6Å; F237-L241 HydrophobicContact CE1-CG 4.17Å; F237-L241 HydrophobicContact CE2-CD1 4.35Å; F237-L241 HydrophobicContact CE2-CD2 4.07Å; F237-L241 HydrophobicContact CE2-CG 4.01Å; F237-L241 HydrophobicContact CG-CD1 4.46Å; F237-L241 HydrophobicContact CZ-CD1 3.83Å; F237-L241 HydrophobicContact CZ-CD2 3.94Å; F237-L241 HydrophobicContact CZ-CG 3.94Å; F237-L241 WeakPolarHBondContact O-CG 3.36Å; F237-L241 PolarHBondContact O-N 2.87Å
238	S	55.8	Low	59.4	Low	77 Å²	77	65.6 Å²	65.6	54%	0.538	34%	0.343	S	S	.	.	H	α-helix	trans	-63.9	-35.9	177.4	-48.1	0	0	0	0	112.5	S236 I242	S236-S238 VanDerWaalsContact C-N 3.26Å; S236-S238 PolarHBondContact O-N 2.79Å; S238-I242 VanDerWaalsContact O-CB 3.32Å; S238-I242 WeakPolarHBondContact O-CB 3.48Å; S238-I242 WeakPolarHBondContact O-CD1 3.32Å; S238-I242 WeakPolarHBondContact O-CG1 3.48Å; S238-I242 PolarHBondContact O-N 3.29Å; S238-I242 VanDerWaalsContact O-N 3.12Å
239	L	55	Low	59.3	Low	71 Å²	71	58.6 Å²	58.6	37%	0.372	32%	0.324	S	S	.	.	H	α-helix	trans	-76.5	-34.9	175.7	-64.8	178.5	0	0	0	111.9	F234 H235 S236 F237 H243	F234-L239 HydrophobicContact CD1-CB 4Å; H235-L239 VanDerWaalsContact CE1-CD1 3.49Å; H235-L239 WeakPolarHBondContact CE1-CD1 3.46Å; H235-L239 WeakPolarHBondContact NE2-CD1 3.14Å; S236-L239 PolarHBondContact O-N 2.85Å; S236-L239 VanDerWaalsContact O-N 3.08Å; F237-L239 VanDerWaalsContact C-N 3.31Å; F237-L239 PolarHBondContact O-N 3.41Å; L239-H243 WeakPolarHBondContact O-CB 3.23Å; L239-H243 PolarHBondContact O-N 3.23Å
240	Y	63.5	Low	59.5	Low	23 Å²	23	57.1 Å²	57.1	9%	0.09	32%	0.319	C	S	.	.	H	α-helix	trans	-58.9	-53.3	170.1	163.4	-85.1	0	0	0	111.3	K226 S236 F237 I242 H243 E244	K226-Y240 WeakPolarHBondContact O-CE2 3.27Å; S236-Y240 PolarHBondContact O-N 2.89Å; F237-Y240 AromaticContact CD2-CD1 3.76Å; F237-Y240 HydrophobicContact CD2-CD1 3.76Å; F237-Y240 HydrophobicContact CD2-CE1 4.42Å; F237-Y240 HydrophobicContact CD2-CG 4.48Å; F237-Y240 AromaticContact CE2-CD1 3.79Å; F237-Y240 HydrophobicContact CE2-CD1 3.79Å; F237-Y240 HydrophobicContact CE2-CE1 4.02Å; F237-Y240 WeakPolarHBondContact O-CB 3.33Å; F237-Y240 PolarHBondContact O-N 2.87Å; Y240-I242 PolarHBondContact O-N 3.18Å; Y240-H243 CarbonylContact O-C 3.48Å; Y240-H243 WeakPolarHBondContact O-CA 3.5Å; Y240-H243 WeakPolarHBondContact O-CB 3.33Å; Y240-H243 PolarHBondContact O-N 3.09Å; Y240-E244 WeakPolarHBondContact CE1-OE2 3.36Å; Y240-E244 PolarHBondContact O-N 3.3Å; Y240-E244 PolarHBondContact OH-OE1 3.37Å; Y240-E244 PolarHBondContact OH-OE2 3.17Å; Y240-E244 VanDerWaalsContact OH-OE2 3.13Å
241	L	57.7	Low	59.7	Low	59 Å²	59	60.5 Å²	60.5	31%	0.309	33%	0.328	S	S	.	.	H	α-helix	trans	-62.3	-41.4	179.9	-72.8	176.2	0	0	0	112	F237 H243 E244 R245	F237-L241 HydrophobicContact CD1-CD1 3.94Å; F237-L241 HydrophobicContact CD1-CG 4.44Å; F237-L241 HydrophobicContact CD2-CG 4.31Å; F237-L241 HydrophobicContact CE1-CD1 3.6Å; F237-L241 HydrophobicContact CE1-CG 4.17Å; F237-L241 HydrophobicContact CE2-CD1 4.35Å; F237-L241 HydrophobicContact CE2-CD2 4.07Å; F237-L241 HydrophobicContact CE2-CG 4.01Å; F237-L241 HydrophobicContact CG-CD1 4.46Å; F237-L241 HydrophobicContact CZ-CD1 3.83Å; F237-L241 HydrophobicContact CZ-CD2 3.94Å; F237-L241 HydrophobicContact CZ-CG 3.94Å; F237-L241 WeakPolarHBondContact O-CG 3.36Å; F237-L241 PolarHBondContact O-N 2.87Å; L241-H243 PolarHBondContact O-N 2.86Å; L241-E244 PolarHBondContact O-N 2.79Å; L241-R245 WeakPolarHBondContact O-CG 3.49Å; L241-R245 PolarHBondContact O-N 3Å; L241-R245 VanDerWaalsContact O-N 3.14Å
242	I	58	Low	60.1	Low	58 Å²	58	61.1 Å²	61.1	30%	0.297	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-35.5	173.3	-79.9	170.1	0	0	0	111.6	S238 Y240 Y264	S238-I242 VanDerWaalsContact O-CB 3.32Å; S238-I242 WeakPolarHBondContact O-CB 3.48Å; S238-I242 WeakPolarHBondContact O-CD1 3.32Å; S238-I242 WeakPolarHBondContact O-CG1 3.48Å; S238-I242 PolarHBondContact O-N 3.29Å; S238-I242 VanDerWaalsContact O-N 3.12Å; Y240-I242 PolarHBondContact O-N 3.18Å; I242-Y264 HydrophobicContact CG2-CD1 4.5Å; I242-Y264 HydrophobicContact CG2-CE1 3.53Å
243	H	61.1	Low	60.2	Low	27 Å²	27	59.9 Å²	59.9	13%	0.125	32%	0.315	C	S	.	.	H	α-helix	trans	-78.8	-36.8	176	179.7	47.6	0	0	0	113	C230 F234 L239 Y240 L241 R245 T246 H247	C230-H243 PolarHBondContact SG-NE2 3.13Å; F234-H243 HydrophobicContact CE1-CB 4.07Å; F234-H243 HydrophobicContact CE2-CB 3.99Å; F234-H243 AromaticContact CE2-CD2 3.32Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.46Å; F234-H243 AromaticContact CE2-CG 3.83Å; F234-H243 HydrophobicContact CZ-CB 3.57Å; F234-H243 AromaticContact CZ-CD2 3.32Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.35Å; F234-H243 AromaticContact CZ-CG 3.41Å; F234-H243 VanDerWaalsContact CZ-CG 3.41Å; L239-H243 WeakPolarHBondContact O-CB 3.23Å; L239-H243 PolarHBondContact O-N 3.23Å; Y240-H243 CarbonylContact O-C 3.48Å; Y240-H243 WeakPolarHBondContact O-CA 3.5Å; Y240-H243 WeakPolarHBondContact O-CB 3.33Å; Y240-H243 PolarHBondContact O-N 3.09Å; L241-H243 PolarHBondContact O-N 2.86Å; H243-R245 VanDerWaalsContact C-N 3.27Å; H243-R245 PolarHBondContact O-N 2.94Å; H243-T246 PolarHBondContact CE1-OG1 3.24Å; H243-T246 PolarHBondContact ND1-OG1 2.79Å; H243-T246 VanDerWaalsContact ND1-OG1 3.08Å; H243-T246 WeakPolarHBondContact O-CA 3.15Å; H243-T246 WeakPolarHBondContact O-CB 3.3Å; H243-T246 PolarHBondContact O-N 2.77Å; H243-T246 PolarHBondContact O-OG1 2.81Å; H243-H247 AromaticContact CD2-NE2 3.87Å; H243-H247 AromaticContact CE1-CE1 3.97Å; H243-H247 AromaticContact CE1-NE2 3.23Å; H243-H247 PolarHBondContact CE1-NE2 3.25Å; H243-H247 AromaticContact NE2-CE1 3.98Å; H243-H247 AromaticContact NE2-NE2 3.07Å; H243-H247 PolarHBondContact NE2-NE2 3Å; H243-H247 PolarHBondContact O-CD2 2.73Å
244	E	59.6	Low	60.1	Low	40 Å²	40	65 Å²	65	19%	0.187	34%	0.338	C	S	.	.	H	α-helix	trans	-58.2	-40.6	176.4	-171	157.1	-132.7	0	0	111.5	F229 Y240 L241 T246 H247 T248	F229-E244 HydrophobicContact CD2-CG 4.49Å; F229-E244 HydrophobicContact CE2-CG 4.15Å; Y240-E244 WeakPolarHBondContact CE1-OE2 3.36Å; Y240-E244 PolarHBondContact O-N 3.3Å; Y240-E244 PolarHBondContact OH-OE1 3.37Å; Y240-E244 PolarHBondContact OH-OE2 3.17Å; Y240-E244 VanDerWaalsContact OH-OE2 3.13Å; L241-E244 PolarHBondContact O-N 2.79Å; E244-T246 PolarHBondContact O-N 2.86Å; E244-H247 WeakPolarHBondContact O-CA 3.16Å; E244-H247 WeakPolarHBondContact O-CB 3.36Å; E244-H247 PolarHBondContact O-N 2.83Å; E244-T248 HydrophobicContact CG-CG2 4.44Å; E244-T248 PolarHBondContact O-N 3.45Å
245	R	68.5	Low	60.2	Low	55 Å²	55	64 Å²	64	21%	0.208	33%	0.334	C	S	.	.	H	α-helix	trans	-59.1	-16.7	170.9	-65.9	176.7	-179.8	161.3	4.7	114.9	L241 H243 H247 T248 G249 E250	L241-R245 WeakPolarHBondContact O-CG 3.49Å; L241-R245 PolarHBondContact O-N 3Å; L241-R245 VanDerWaalsContact O-N 3.14Å; H243-R245 VanDerWaalsContact C-N 3.27Å; H243-R245 PolarHBondContact O-N 2.94Å; R245-H247 VanDerWaalsContact C-N 3.31Å; R245-T248 WeakPolarHBondContact CA-OG1 3.5Å; R245-G249 WeakPolarHBondContact O-CA 3.38Å; R245-G249 PolarHBondContact O-N 3.12Å; R245-E250 HydrophobicContact CB-CB 4.37Å; R245-E250 HydrophobicContact CG-CB 3.99Å; R245-E250 IonicContact NE-OE2 3.16Å
246	T	56	Low	60.7	Low	82 Å²	82	70.2 Å²	70.2	50%	0.503	36%	0.36	S	S	.	.	H	α-helix	trans	-80.2	-12.3	172.2	70.9	0	0	0	0	113.5	H243 E244	H243-T246 PolarHBondContact CE1-OG1 3.24Å; H243-T246 PolarHBondContact ND1-OG1 2.79Å; H243-T246 VanDerWaalsContact ND1-OG1 3.08Å; H243-T246 WeakPolarHBondContact O-CA 3.15Å; H243-T246 WeakPolarHBondContact O-CB 3.3Å; H243-T246 PolarHBondContact O-N 2.77Å; H243-T246 PolarHBondContact O-OG1 2.81Å; E244-T246 PolarHBondContact O-N 2.86Å
247	H	54.9	Low	60.8	Low	73 Å²	73	74.3 Å²	74.3	34%	0.338	38%	0.375	S	S	.	.	H	α-helix	trans	-101	-45.7	171.2	-53.9	-79.4	0	0	0	111.4	C227 F229 C230 H243 E244 R245 G249	C227-H247 PolarHBondContact SG-NE2 2.75Å; C227-H247 VanDerWaalsContact SG-NE2 3.4Å; F229-H247 HydrophobicContact CB-CB 4.09Å; F229-H247 HydrophobicContact CD1-CB 4.48Å; F229-H247 HydrophobicContact CD2-CB 3.94Å; F229-H247 HydrophobicContact CG-CB 3.91Å; F229-H247 AromaticContact CG-CG 3.98Å; C230-H247 VanDerWaalsContact SG-CE1 3.56Å; H243-H247 AromaticContact CD2-NE2 3.87Å; H243-H247 AromaticContact CE1-CE1 3.97Å; H243-H247 AromaticContact CE1-NE2 3.23Å; H243-H247 PolarHBondContact CE1-NE2 3.25Å; H243-H247 AromaticContact NE2-CE1 3.98Å; H243-H247 AromaticContact NE2-NE2 3.07Å; H243-H247 PolarHBondContact NE2-NE2 3Å; H243-H247 PolarHBondContact O-CD2 2.73Å; E244-H247 WeakPolarHBondContact O-CA 3.16Å; E244-H247 WeakPolarHBondContact O-CB 3.36Å; E244-H247 PolarHBondContact O-N 2.83Å; R245-H247 VanDerWaalsContact C-N 3.31Å; H247-G249 VanDerWaalsContact C-N 3.31Å; H247-G249 PolarHBondContact O-N 2.86Å
248	T	58.2	Low	61.3	Low	65 Å²	65	71.5 Å²	71.5	40%	0.399	37%	0.368	S	S	.	.	H	α-helix	trans	-73.2	-21.5	178.4	67.2	0	0	0	0	113.3	E244 R245 E250	E244-T248 HydrophobicContact CG-CG2 4.44Å; E244-T248 PolarHBondContact O-N 3.45Å; R245-T248 WeakPolarHBondContact CA-OG1 3.5Å; T248-E250 WeakPolarHBondContact CB-OE1 3.29Å; T248-E250 PolarHBondContact O-N 3.44Å; T248-E250 VanDerWaalsContact OG1-CD 3.27Å; T248-E250 WeakPolarHBondContact OG1-CG 3.34Å; T248-E250 PolarHBondContact OG1-OE1 3.33Å
249	G	57.4	Low	61.7	Low	41 Å²	41	70.1 Å²	70.1	42%	0.423	37%	0.365	S	S	.	.			trans	78.8	0.7	178.2	0	0	0	0	0	115.2	R245 H247	R245-G249 WeakPolarHBondContact O-CA 3.38Å; R245-G249 PolarHBondContact O-N 3.12Å; H247-G249 VanDerWaalsContact C-N 3.31Å; H247-G249 PolarHBondContact O-N 2.86Å
250	E	60.4	Low	61.8	Low	92 Å²	92	71.1 Å²	71.1	43%	0.43	37%	0.367	S	S	.	.			trans	-50.3	138.8	177.2	-79.9	163.7	-120.8	0	0	113.6	R245 T248	R245-E250 HydrophobicContact CB-CB 4.37Å; R245-E250 HydrophobicContact CG-CB 3.99Å; R245-E250 IonicContact NE-OE2 3.16Å; T248-E250 WeakPolarHBondContact CB-OE1 3.29Å; T248-E250 PolarHBondContact O-N 3.44Å; T248-E250 VanDerWaalsContact OG1-CD 3.27Å; T248-E250 WeakPolarHBondContact OG1-CG 3.34Å; T248-E250 PolarHBondContact OG1-OE1 3.33Å
251	K	67.8	Low	61.6	Low	121 Å²	121	72.4 Å²	72.4	53%	0.526	38%	0.379	S	S	.	.			trans	-135.5	74.8	-179.7	-72.5	155.2	-170.2	159.5	0	111.1	Y253 S261 F262 T263	K251-Y253 PolarHBondContact O-N 3.35Å; K251-S261 VanDerWaalsContact O-CB 3.24Å; K251-S261 WeakPolarHBondContact O-CB 3.34Å; K251-F262 CarbonylContact C-O 3.16Å; K251-F262 VanDerWaalsContact CA-O 3.26Å; K251-F262 WeakPolarHBondContact CA-O 3.41Å; K251-T263 HydrophobicContact CG-CG2 3.88Å
252	P	65.8	Low	62	Low	69 Å²	69	71.7 Å²	71.7	45%	0.448	37%	0.374	S	S	.	.			trans	-69.2	-6.5	-168.7	-22	35.5	0	0	0	116.1
253	Y	66.7	Low	61.8	Low	83 Å²	83	71 Å²	71	33%	0.325	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	95	-172.7	-56.6	-74.8	0	0	0	111	K251 S261 F262 Y264 S265	K251-Y253 PolarHBondContact O-N 3.35Å; Y253-S261 CarbonylContact O-C 3.54Å; Y253-S261 WeakPolarHBondContact O-CA 3.22Å; Y253-F262 WeakPolarHBondContact CD2-O 3.41Å; Y253-F262 PolarHBondContact N-O 3.12Å; Y253-F262 VanDerWaalsContact N-O 3.15Å; Y253-F262 PolarHBondContact O-N 3.46Å; Y253-Y264 VanDerWaalsContact CD2-C 3.42Å; Y253-S265 VanDerWaalsContact CD2-N 3.31Å
254	E	59	Low	62.1	Low	108 Å²	108	74.3 Å²	74.3	51%	0.505	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.8	-177.9	-170.3	164.6	137.1	0	0	114.5	K256 G259 S261	E254-K256 PolarHBondContact O-N 3.34Å; E254-G259 WeakPolarHBondContact OE1-CA 3.41Å; E254-S261 PolarHBondContact OE2-OG 3.28Å
255	C	69	Low	62.1	Low	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	101.5	170.8	-173.3	0	0	0	0	110.6	Q257 C258 G259 K260 F262 L268	C255-Q257 PolarHBondContact O-N 2.81Å; C255-C258 PolarHBondContact O-N 3.27Å; C255-C258 VanDerWaalsContact SG-SG 3.67Å; C255-G259 PolarHBondContact O-N 3.28Å; C255-K260 PolarHBondContact N-O 3.45Å; C255-F262 HydrophobicContact CB-CE2 4.4Å; C255-L268 VanDerWaalsContact CA-CD1 3.47Å; C255-L268 HydrophobicContact CB-CD1 3.44Å; C255-L268 VanDerWaalsContact CB-CD1 3.44Å
256	K	70.1	Confident	61.9	Low	190 Å²	190	75.8 Å²	75.8	83%	0.826	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-22.9	177.2	-64.2	-170.8	177.2	-172.3	0	114	E254	E254-K256 PolarHBondContact O-N 3.34Å
257	Q	62	Low	62.4	Low	124 Å²	124	74.4 Å²	74.4	58%	0.579	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-10.5	179.8	-61	-176.2	5	0	0	114.7	C255	C255-Q257 PolarHBondContact O-N 2.81Å
258	C	61.8	Low	63.1	Low	43 Å²	43	71.8 Å²	71.8	29%	0.291	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.9	13.5	-177.4	72.7	0	0	0	0	116.9	C255 K260 H271 H275	C255-C258 PolarHBondContact O-N 3.27Å; C255-C258 VanDerWaalsContact SG-SG 3.67Å; C258-K260 VanDerWaalsContact C-N 3.25Å; C258-K260 PolarHBondContact O-N 2.98Å; C258-K260 PolarHBondContact SG-NZ 2.87Å; C258-H271 PolarHBondContact SG-NE2 3.22Å; C258-H275 WeakPolarHBondContact CB-NE2 3.29Å
259	G	63.2	Low	63.6	Low	48 Å²	48	74.2 Å²	74.2	50%	0.495	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	26.2	176.5	0	0	0	0	0	115	E254 C255	E254-G259 WeakPolarHBondContact OE1-CA 3.41Å; C255-G259 PolarHBondContact O-N 3.28Å
260	K	57.3	Low	64.1	Low	93 Å²	93	75.4 Å²	75.4	40%	0.404	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.2	179.2	-69.3	-165.6	-147.6	77.6	0	110.4	C255 C258 F262 H271	C255-K260 PolarHBondContact N-O 3.45Å; C258-K260 VanDerWaalsContact C-N 3.25Å; C258-K260 PolarHBondContact O-N 2.98Å; C258-K260 PolarHBondContact SG-NZ 2.87Å; K260-F262 HydrophobicContact CB-CE2 3.76Å; K260-F262 HydrophobicContact CB-CZ 4.11Å; K260-F262 WeakPolarHBondContact O-CD2 3.21Å; K260-F262 WeakPolarHBondContact O-CE2 3.41Å; K260-H271 PolarHBondContact NZ-CE1 3.16Å; K260-H271 PolarHBondContact NZ-NE2 3.43Å
261	S	59.3	Low	64.6	Low	49 Å²	49	72.5 Å²	72.5	34%	0.343	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	137.6	180	-14.8	0	0	0	0	111.6	K251 Y253 E254	K251-S261 VanDerWaalsContact O-CB 3.24Å; K251-S261 WeakPolarHBondContact O-CB 3.34Å; Y253-S261 CarbonylContact O-C 3.54Å; Y253-S261 WeakPolarHBondContact O-CA 3.22Å; E254-S261 PolarHBondContact OE2-OG 3.28Å
262	F	65.5	Low	64.8	Low	44 Å²	44	69 Å²	69	19%	0.193	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.3	-176.1	-66.1	-91.1	0	0	0	112.3	K251 Y253 C255 K260 Y264 L268 H271	K251-F262 CarbonylContact C-O 3.16Å; K251-F262 VanDerWaalsContact CA-O 3.26Å; K251-F262 WeakPolarHBondContact CA-O 3.41Å; Y253-F262 WeakPolarHBondContact CD2-O 3.41Å; Y253-F262 PolarHBondContact N-O 3.12Å; Y253-F262 VanDerWaalsContact N-O 3.15Å; Y253-F262 PolarHBondContact O-N 3.46Å; C255-F262 HydrophobicContact CB-CE2 4.4Å; K260-F262 HydrophobicContact CB-CE2 3.76Å; K260-F262 HydrophobicContact CB-CZ 4.11Å; K260-F262 WeakPolarHBondContact O-CD2 3.21Å; K260-F262 WeakPolarHBondContact O-CE2 3.41Å; F262-Y264 VanDerWaalsContact C-N 3.35Å; F262-L268 HydrophobicContact CB-CB 4.28Å; F262-L268 HydrophobicContact CD2-CB 3.96Å; F262-L268 HydrophobicContact CD2-CD1 3.92Å; F262-L268 HydrophobicContact CE2-CD1 4.12Å; F262-L268 HydrophobicContact CG-CB 4.24Å; F262-H271 HydrophobicContact CE1-CB 4.13Å; F262-H271 HydrophobicContact CE2-CB 3.98Å; F262-H271 AromaticContact CE2-CD2 3.45Å; F262-H271 VanDerWaalsContact CE2-CD2 3.45Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.35Å; F262-H271 AromaticContact CE2-CG 3.96Å; F262-H271 HydrophobicContact CZ-CB 3.54Å; F262-H271 AromaticContact CZ-CD2 3.31Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.43Å; F262-H271 AromaticContact CZ-CG 3.48Å; F262-H271 VanDerWaalsContact CZ-CG 3.48Å
263	T	55.2	Low	65.3	Low	44 Å²	44	68.9 Å²	68.9	27%	0.27	36%	0.356	S	S	.	.	S	Bend	trans	-77.2	-18.9	176.2	55.4	0	0	0	0	113.3	K251	K251-T263 HydrophobicContact CG-CG2 3.88Å
264	Y	66.4	Low	65.3	Low	97 Å²	97	68.1 Å²	68.1	38%	0.38	36%	0.361	S	S	.	.			trans	-134.7	137.9	179.1	-45.8	-95.5	0	0	0	111.6	I242 Y253 F262 A266 T267 L268	I242-Y264 HydrophobicContact CG2-CD1 4.5Å; I242-Y264 HydrophobicContact CG2-CE1 3.53Å; Y253-Y264 VanDerWaalsContact CD2-C 3.42Å; F262-Y264 VanDerWaalsContact C-N 3.35Å; Y264-A266 VanDerWaalsContact C-N 3.28Å; Y264-A266 PolarHBondContact O-N 3.09Å; Y264-T267 WeakPolarHBondContact CB-OG1 3.37Å; Y264-T267 HydrophobicContact CD2-CG2 3.97Å; Y264-T267 PolarHBondContact N-OG1 3.38Å; Y264-T267 PolarHBondContact O-N 3.48Å; Y264-T267 PolarHBondContact O-OG1 3.1Å; Y264-L268 PolarHBondContact O-N 3.36Å; Y264-L268 VanDerWaalsContact O-N 3.08Å
265	S	60.3	Low	65.7	Low	63 Å²	63	67.5 Å²	67.5	44%	0.441	36%	0.357	S	S	.	.	H	α-helix	trans	-55.6	-41.6	169.5	53.9	0	0	0	0	112.3	Y253 T267 L268 Q269	Y253-S265 VanDerWaalsContact CD2-N 3.31Å; S265-T267 PolarHBondContact O-N 3.2Å; S265-L268 WeakPolarHBondContact O-CB 3.06Å; S265-L268 PolarHBondContact O-N 3.03Å; S265-L268 VanDerWaalsContact O-N 3.12Å; S265-Q269 WeakPolarHBondContact O-CG 3.49Å; S265-Q269 PolarHBondContact O-N 2.84Å
266	A	63.5	Low	65.7	Low	62 Å²	62	71.6 Å²	71.6	51%	0.512	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-29.2	175.5	0	0	0	0	0	113.6	Y264 I270	Y264-A266 VanDerWaalsContact C-N 3.28Å; Y264-A266 PolarHBondContact O-N 3.09Å; A266-I270 WeakPolarHBondContact O-CD1 3.37Å; A266-I270 VanDerWaalsContact O-CG1 3.31Å; A266-I270 WeakPolarHBondContact O-CG1 3.44Å; A266-I270 PolarHBondContact O-N 3.46Å
267	T	65.9	Low	65.6	Low	53 Å²	53	64.2 Å²	64.2	33%	0.325	36%	0.361	S	S	.	.	H	α-helix	trans	-80.7	-31.6	173.7	51.2	0	0	0	0	113	Y264 S265 H271	Y264-T267 WeakPolarHBondContact CB-OG1 3.37Å; Y264-T267 HydrophobicContact CD2-CG2 3.97Å; Y264-T267 PolarHBondContact N-OG1 3.38Å; Y264-T267 PolarHBondContact O-N 3.48Å; Y264-T267 PolarHBondContact O-OG1 3.1Å; S265-T267 PolarHBondContact O-N 3.2Å; T267-H271 PolarHBondContact O-N 3.45Å; T267-H271 VanDerWaalsContact O-N 3.09Å
268	L	71.3	Confident	66	Low	19 Å²	19	63.3 Å²	63.3	10%	0.099	36%	0.357	C	S	.	.	H	α-helix	trans	-62.4	-49.9	169.1	168.7	59.1	0	0	0	110.7	C255 F262 Y264 S265 I270 H271 E272	C255-L268 VanDerWaalsContact CA-CD1 3.47Å; C255-L268 HydrophobicContact CB-CD1 3.44Å; C255-L268 VanDerWaalsContact CB-CD1 3.44Å; F262-L268 HydrophobicContact CB-CB 4.28Å; F262-L268 HydrophobicContact CD2-CB 3.96Å; F262-L268 HydrophobicContact CD2-CD1 3.92Å; F262-L268 HydrophobicContact CE2-CD1 4.12Å; F262-L268 HydrophobicContact CG-CB 4.24Å; Y264-L268 PolarHBondContact O-N 3.36Å; Y264-L268 VanDerWaalsContact O-N 3.08Å; S265-L268 WeakPolarHBondContact O-CB 3.06Å; S265-L268 PolarHBondContact O-N 3.03Å; S265-L268 VanDerWaalsContact O-N 3.12Å; L268-I270 VanDerWaalsContact C-N 3.29Å; L268-I270 PolarHBondContact O-N 3.22Å; L268-H271 CarbonylContact O-C 3.51Å; L268-H271 VanDerWaalsContact O-CA 3.29Å; L268-H271 WeakPolarHBondContact O-CA 3.23Å; L268-H271 VanDerWaalsContact O-CB 3.29Å; L268-H271 WeakPolarHBondContact O-CB 3.42Å; L268-H271 PolarHBondContact O-N 3.11Å; L268-E272 HydrophobicContact CD1-CG 3.83Å; L268-E272 HydrophobicContact CG-CG 4.33Å; L268-E272 WeakPolarHBondContact O-CG 3.34Å; L268-E272 PolarHBondContact O-N 3.1Å
269	Q	67.8	Low	66.6	Low	115 Å²	115	65.9 Å²	65.9	54%	0.537	36%	0.363	S	S	.	.	H	α-helix	trans	-60.2	-35.1	178.5	-72.1	-83.6	-71	0	0	113.4	S265 H271 E272	S265-Q269 WeakPolarHBondContact O-CG 3.49Å; S265-Q269 PolarHBondContact O-N 2.84Å; Q269-H271 VanDerWaalsContact C-N 3.32Å; Q269-E272 WeakPolarHBondContact CA-OE2 3Å; Q269-E272 PolarHBondContact NE2-OE2 3.45Å
270	I	67.9	Low	67.2	Low	66 Å²	66	67 Å²	67	34%	0.338	36%	0.361	S	S	.	.	H	α-helix	trans	-70.9	-28.3	171.6	-71.1	168.1	0	0	0	111.7	A266 L268	A266-I270 WeakPolarHBondContact O-CD1 3.37Å; A266-I270 VanDerWaalsContact O-CG1 3.31Å; A266-I270 WeakPolarHBondContact O-CG1 3.44Å; A266-I270 PolarHBondContact O-N 3.46Å; L268-I270 VanDerWaalsContact C-N 3.29Å; L268-I270 PolarHBondContact O-N 3.22Å
271	H	70.9	Confident	68	Low	31 Å²	31	66.8 Å²	66.8	14%	0.144	36%	0.358	C	S	.	.	H	α-helix	trans	-76.4	-39.7	173.9	-176.4	36	0	0	0	112.7	C258 K260 F262 T267 L268 Q269 R273 T274	C258-H271 PolarHBondContact SG-NE2 3.22Å; K260-H271 PolarHBondContact NZ-CE1 3.16Å; K260-H271 PolarHBondContact NZ-NE2 3.43Å; F262-H271 HydrophobicContact CE1-CB 4.13Å; F262-H271 HydrophobicContact CE2-CB 3.98Å; F262-H271 AromaticContact CE2-CD2 3.45Å; F262-H271 VanDerWaalsContact CE2-CD2 3.45Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.35Å; F262-H271 AromaticContact CE2-CG 3.96Å; F262-H271 HydrophobicContact CZ-CB 3.54Å; F262-H271 AromaticContact CZ-CD2 3.31Å; F262-H271 WeakPolarHBondContact CZ-CD2 3.43Å; F262-H271 AromaticContact CZ-CG 3.48Å; F262-H271 VanDerWaalsContact CZ-CG 3.48Å; T267-H271 PolarHBondContact O-N 3.45Å; T267-H271 VanDerWaalsContact O-N 3.09Å; L268-H271 CarbonylContact O-C 3.51Å; L268-H271 VanDerWaalsContact O-CA 3.29Å; L268-H271 WeakPolarHBondContact O-CA 3.23Å; L268-H271 VanDerWaalsContact O-CB 3.29Å; L268-H271 WeakPolarHBondContact O-CB 3.42Å; L268-H271 PolarHBondContact O-N 3.11Å; Q269-H271 VanDerWaalsContact C-N 3.32Å; H271-R273 PolarHBondContact O-N 3.14Å; H271-T274 PolarHBondContact CE1-OG1 2.93Å; H271-T274 VanDerWaalsContact CE1-OG1 3.25Å; H271-T274 PolarHBondContact ND1-OG1 3.08Å; H271-T274 WeakPolarHBondContact O-CA 3.07Å; H271-T274 VanDerWaalsContact O-CB 3.31Å; H271-T274 WeakPolarHBondContact O-CB 3.47Å; H271-T274 PolarHBondContact O-N 3.02Å; H271-T274 PolarHBondContact O-OG1 3.29Å
272	E	70.9	Confident	68.5	Low	47 Å²	47	71.6 Å²	71.6	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-34.4	-179.3	-72.4	165.2	140.6	0	0	111.6	L268 Q269 T274 H275 T276	L268-E272 HydrophobicContact CD1-CG 3.83Å; L268-E272 HydrophobicContact CG-CG 4.33Å; L268-E272 WeakPolarHBondContact O-CG 3.34Å; L268-E272 PolarHBondContact O-N 3.1Å; Q269-E272 WeakPolarHBondContact CA-OE2 3Å; Q269-E272 PolarHBondContact NE2-OE2 3.45Å; E272-T274 PolarHBondContact O-N 3.17Å; E272-T274 VanDerWaalsContact O-N 3.1Å; E272-H275 WeakPolarHBondContact O-CB 3.49Å; E272-H275 PolarHBondContact O-N 2.86Å; E272-T276 PolarHBondContact O-N 3.23Å
273	R	77.2	Confident	68.8	Low	67 Å²	67	70.2 Å²	70.2	25%	0.253	37%	0.371	S	S	.	.	H	α-helix	trans	-57.4	-21.5	168.5	-69.1	179.4	-179	158.8	5.9	115.2	H271 H275 T276 G277 E278 H291	H271-R273 PolarHBondContact O-N 3.14Å; R273-H275 VanDerWaalsContact C-N 3.3Å; R273-T276 WeakPolarHBondContact CA-OG1 3.47Å; R273-G277 CarbonylContact O-C 3.5Å; R273-G277 WeakPolarHBondContact O-CA 3.41Å; R273-G277 PolarHBondContact O-N 3.38Å; R273-E278 HydrophobicContact CB-CB 4.28Å; R273-E278 HydrophobicContact CG-CB 4.13Å; R273-E278 IonicContact NE-OE2 2.84Å; R273-E278 PolarHBondContact O-N 2.9Å; R273-H291 HydrophobicContact CB-CB 4.13Å; R273-H291 PolarHBondContact NH1-O 3.49Å; R273-H291 PolarHBondContact O-CD2 3.07Å
274	T	65.9	Low	69.5	Low	68 Å²	68	73.2 Å²	73.2	42%	0.417	39%	0.394	S	S	.	.	H	α-helix	trans	-80	-12.4	174.4	71.3	0	0	0	0	113.2	H271 E272	H271-T274 PolarHBondContact CE1-OG1 2.93Å; H271-T274 VanDerWaalsContact CE1-OG1 3.25Å; H271-T274 PolarHBondContact ND1-OG1 3.08Å; H271-T274 WeakPolarHBondContact O-CA 3.07Å; H271-T274 VanDerWaalsContact O-CB 3.31Å; H271-T274 WeakPolarHBondContact O-CB 3.47Å; H271-T274 PolarHBondContact O-N 3.02Å; H271-T274 PolarHBondContact O-OG1 3.29Å; E272-T274 PolarHBondContact O-N 3.17Å; E272-T274 VanDerWaalsContact O-N 3.1Å
275	H	68.8	Low	69.5	Low	94 Å²	94	75 Å²	75	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-91.9	-44.5	168.6	-61.4	-69.4	0	0	0	111.5	C258 E272 R273 G277	C258-H275 WeakPolarHBondContact CB-NE2 3.29Å; E272-H275 WeakPolarHBondContact O-CB 3.49Å; E272-H275 PolarHBondContact O-N 2.86Å; R273-H275 VanDerWaalsContact C-N 3.3Å; H275-G277 VanDerWaalsContact C-N 3.26Å; H275-G277 PolarHBondContact O-N 2.58Å
276	T	68.8	Low	70.2	Confident	86 Å²	86	73.7 Å²	73.7	53%	0.528	39%	0.394	S	S	.	.	H	α-helix	trans	-72.1	-19.6	175.9	66.2	0	0	0	0	113.3	E272 R273 E278	E272-T276 PolarHBondContact O-N 3.23Å; R273-T276 WeakPolarHBondContact CA-OG1 3.47Å; T276-E278 VanDerWaalsContact C-N 3.28Å; T276-E278 PolarHBondContact O-N 3.4Å; T276-E278 WeakPolarHBondContact OG1-CG 3.32Å
277	G	67.7	Low	70.4	Confident	36 Å²	36	79.1 Å²	79.1	37%	0.371	42%	0.415	S	S	.	.			trans	81.9	0.3	-178.9	0	0	0	0	0	114.7	R273 H275 K279	R273-G277 CarbonylContact O-C 3.5Å; R273-G277 WeakPolarHBondContact O-CA 3.41Å; R273-G277 PolarHBondContact O-N 3.38Å; H275-G277 VanDerWaalsContact C-N 3.26Å; H275-G277 PolarHBondContact O-N 2.58Å; G277-K279 PolarHBondContact O-N 3.16Å
278	E	69.8	Low	70.4	Confident	105 Å²	105	82.1 Å²	82.1	49%	0.491	42%	0.423	S	S	.	.			trans	-60.4	126.5	-178.4	-77	178.1	-171.8	0	0	113.2	R273 T276 P280 H291	R273-E278 HydrophobicContact CB-CB 4.28Å; R273-E278 HydrophobicContact CG-CB 4.13Å; R273-E278 IonicContact NE-OE2 2.84Å; R273-E278 PolarHBondContact O-N 2.9Å; T276-E278 VanDerWaalsContact C-N 3.28Å; T276-E278 PolarHBondContact O-N 3.4Å; T276-E278 WeakPolarHBondContact OG1-CG 3.32Å; E278-P280 WeakPolarHBondContact O-CD 3.35Å; E278-H291 PolarHBondContact O-CD2 3.19Å
279	K	75.6	Confident	70.5	Confident	97 Å²	97	82.7 Å²	82.7	42%	0.422	43%	0.431	S	S	.	.			trans	-127.3	73.9	179.4	-68.6	155.6	-167.8	153.5	0	111.3	G277 Y281 A289 F290 H291	G277-K279 PolarHBondContact O-N 3.16Å; K279-Y281 PolarHBondContact O-N 3.48Å; K279-A289 HydrophobicContact CB-CB 3.48Å; K279-A289 VanDerWaalsContact CB-CB 3.48Å; K279-A289 HydrophobicContact CD-CB 4.05Å; K279-A289 HydrophobicContact CG-CB 4.3Å; K279-F290 CarbonylContact C-O 3.56Å; K279-F290 VanDerWaalsContact C-O 3.25Å; K279-F290 WeakPolarHBondContact CA-O 3.11Å; K279-H291 WeakPolarHBondContact CE-NE2 3.35Å
280	P	74.8	Confident	70.9	Confident	72 Å²	72	79.4 Å²	79.4	47%	0.468	42%	0.415	S	S	.	.			trans	-66.9	-0.3	-170.8	-21.5	34.8	0	0	0	116	E278	E278-P280 WeakPolarHBondContact O-CD 3.35Å
281	Y	73.6	Confident	70.8	Confident	87 Å²	87	78.8 Å²	78.8	34%	0.341	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	89.4	-177	-55.1	-86.5	0	0	0	109.8	K279 A289 F290 S292 S293	K279-Y281 PolarHBondContact O-N 3.48Å; Y281-A289 CarbonylContact O-C 3.13Å; Y281-A289 WeakPolarHBondContact O-CA 3.47Å; Y281-F290 WeakPolarHBondContact CD2-O 3.23Å; Y281-F290 PolarHBondContact N-O 2.8Å; Y281-F290 PolarHBondContact O-N 3.28Å; Y281-S292 VanDerWaalsContact CD2-C 3.44Å; Y281-S293 VanDerWaalsContact CE2-N 3.32Å
282	E	69.9	Low	70.9	Confident	151 Å²	151	78 Å²	78	71%	0.706	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	148.1	179.9	-51	-162.4	137.7	0	0	111.5	A289 Y296	E282-A289 HydrophobicContact CB-CB 4.4Å; E282-A289 HydrophobicContact CG-CB 3.86Å; E282-Y296 VanDerWaalsContact O-CE2 3.22Å; E282-Y296 WeakPolarHBondContact O-CE2 3.49Å
283	C	73.3	Confident	70.5	Confident	14 Å²	14	77.6 Å²	77.6	10%	0.095	41%	0.41	C	S	.	.			trans	-94.8	118.7	-179.1	-167.6	0	0	0	0	113	K285 C286 K288 Y296 H303	C283-K285 PolarHBondContact O-N 3.5Å; C283-C286 WeakPolarHBondContact CB-O 3.22Å; C283-C286 CarbonylContact O-C 3.6Å; C283-C286 PolarHBondContact O-N 3.42Å; C283-K288 WeakPolarHBondContact CB-O 3.45Å; C283-K288 PolarHBondContact N-O 3.22Å; C283-K288 VanDerWaalsContact N-O 3.11Å; C283-Y296 HydrophobicContact CB-CE2 4.25Å; C283-H303 PolarHBondContact SG-NE2 3.16Å
284	S	69.8	Low	69.9	Low	108 Å²	108	79 Å²	79	76%	0.755	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-9.2	173.8	53.5	0	0	0	0	114.9
285	K	66.9	Low	69.9	Low	135 Å²	135	77 Å²	77	59%	0.587	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-6.7	-178	-61.9	-175.7	179.8	-177.3	0	114.7	C283 H303	C283-K285 PolarHBondContact O-N 3.5Å; K285-H303 HydrophobicContact CD-CB 3.85Å
286	C	74.3	Confident	69.8	Low	35 Å²	35	73.9 Å²	73.9	24%	0.236	40%	0.404	C	S	.	.	S	Bend	trans	-173	166.3	165.8	66.8	0	0	0	0	111.4	C283 K288 H299 H303	C283-C286 WeakPolarHBondContact CB-O 3.22Å; C283-C286 CarbonylContact O-C 3.6Å; C283-C286 PolarHBondContact O-N 3.42Å; C286-K288 PolarHBondContact O-N 2.88Å; C286-H299 PolarHBondContact SG-NE2 3.14Å; C286-H303 PolarHBondContact SG-CE1 3.04Å
287	D	68.2	Low	69.6	Low	176 Å²	176	73.8 Å²	73.8	94%	0.941	40%	0.397	S	S	*	.	S	Bend	trans	-71.6	37.6	-170.5	-35.4	-73.8	0	0	0	115.8
288	K	65.6	Low	69.4	Low	116 Å²	116	78.4 Å²	78.4	50%	0.504	40%	0.404	S	S	.	.			trans	-108.8	115	-178.9	-68.2	175.3	-171	150.7	0	110.6	C283 C286 F290	C283-K288 WeakPolarHBondContact CB-O 3.45Å; C283-K288 PolarHBondContact N-O 3.22Å; C283-K288 VanDerWaalsContact N-O 3.11Å; C286-K288 PolarHBondContact O-N 2.88Å; K288-F290 HydrophobicContact CB-CE2 3.74Å; K288-F290 HydrophobicContact CB-CZ 3.89Å; K288-F290 VanDerWaalsContact O-CE2 3.28Å; K288-F290 WeakPolarHBondContact O-CE2 3.47Å
289	A	73.3	Confident	69.3	Low	31 Å²	31	74.3 Å²	74.3	26%	0.256	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	145.7	175.1	0	0	0	0	0	111.8	K279 Y281 E282	K279-A289 HydrophobicContact CB-CB 3.48Å; K279-A289 VanDerWaalsContact CB-CB 3.48Å; K279-A289 HydrophobicContact CD-CB 4.05Å; K279-A289 HydrophobicContact CG-CB 4.3Å; Y281-A289 CarbonylContact O-C 3.13Å; Y281-A289 WeakPolarHBondContact O-CA 3.47Å; E282-A289 HydrophobicContact CB-CB 4.4Å; E282-A289 HydrophobicContact CG-CB 3.86Å
290	F	76.4	Confident	68.8	Low	45 Å²	45	72.7 Å²	72.7	20%	0.197	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.2	-173.7	-58.8	-92.7	0	0	0	112.4	K279 Y281 K288 S292 Y296 H299	K279-F290 CarbonylContact C-O 3.56Å; K279-F290 VanDerWaalsContact C-O 3.25Å; K279-F290 WeakPolarHBondContact CA-O 3.11Å; Y281-F290 WeakPolarHBondContact CD2-O 3.23Å; Y281-F290 PolarHBondContact N-O 2.8Å; Y281-F290 PolarHBondContact O-N 3.28Å; K288-F290 HydrophobicContact CB-CE2 3.74Å; K288-F290 HydrophobicContact CB-CZ 3.89Å; K288-F290 VanDerWaalsContact O-CE2 3.28Å; K288-F290 WeakPolarHBondContact O-CE2 3.47Å; F290-S292 PolarHBondContact O-N 3.3Å; F290-Y296 HydrophobicContact CD2-CD2 4.41Å; F290-H299 HydrophobicContact CE1-CB 4.04Å; F290-H299 HydrophobicContact CE2-CB 3.82Å; F290-H299 AromaticContact CE2-CD2 3.3Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.31Å; F290-H299 AromaticContact CE2-CG 3.72Å; F290-H299 HydrophobicContact CZ-CB 3.43Å; F290-H299 VanDerWaalsContact CZ-CB 3.43Å; F290-H299 AromaticContact CZ-CD2 3.45Å; F290-H299 VanDerWaalsContact CZ-CD2 3.45Å; F290-H299 WeakPolarHBondContact CZ-CD2 3.41Å; F290-H299 AromaticContact CZ-CG 3.41Å; F290-H299 VanDerWaalsContact CZ-CG 3.41Å
291	H	64.9	Low	68.3	Low	53 Å²	53	74.7 Å²	74.7	25%	0.245	38%	0.377	C	S	.	.	S	Bend	trans	-72.8	-11	177.7	-38.6	87.4	0	0	0	113.5	R273 E278 K279	R273-H291 HydrophobicContact CB-CB 4.13Å; R273-H291 PolarHBondContact NH1-O 3.49Å; R273-H291 PolarHBondContact O-CD2 3.07Å; E278-H291 PolarHBondContact O-CD2 3.19Å; K279-H291 WeakPolarHBondContact CE-NE2 3.35Å
292	S	72.6	Confident	67.7	Low	15 Å²	15	73.9 Å²	73.9	11%	0.105	38%	0.384	C	S	.	.	S	Bend	trans	-149	139.3	-176.5	48.8	0	0	0	0	114.6	Y281 F290 S294 S295 Y296	Y281-S292 VanDerWaalsContact CD2-C 3.44Å; F290-S292 PolarHBondContact O-N 3.3Å; S292-S294 VanDerWaalsContact C-N 3.33Å; S292-S294 PolarHBondContact O-N 3.46Å; S292-S295 WeakPolarHBondContact O-CA 3.37Å; S292-S295 WeakPolarHBondContact O-CB 3.27Å; S292-S295 PolarHBondContact O-N 2.99Å; S292-S295 WeakPolarHBondContact OG-CB 3.45Å; S292-S295 PolarHBondContact OG-OG 3.08Å; S292-Y296 PolarHBondContact O-N 3.27Å
293	S	64.1	Low	67.4	Low	38 Å²	38	69.9 Å²	69.9	27%	0.266	37%	0.365	S	S	.	.	H	α-helix	trans	-51.1	-45.3	174.6	155.8	0	0	0	0	112.7	Y281 S295 Y296 H297	Y281-S293 VanDerWaalsContact CE2-N 3.32Å; S293-S295 PolarHBondContact O-N 2.84Å; S293-S295 VanDerWaalsContact O-N 3.15Å; S293-Y296 CarbonylContact O-C 3.37Å; S293-Y296 WeakPolarHBondContact O-CA 3.32Å; S293-Y296 WeakPolarHBondContact O-CB 3.48Å; S293-Y296 PolarHBondContact O-N 2.84Å; S293-H297 PolarHBondContact O-CD2 3.08Å; S293-H297 PolarHBondContact O-N 3.01Å; S293-H297 PolarHBondContact OG-CD2 3.46Å; S293-H297 PolarHBondContact OG-NE2 2.87Å
294	S	63.5	Low	66.7	Low	96 Å²	96	74 Å²	74	67%	0.671	38%	0.384	S	S	*	.	H	α-helix	trans	-63.2	-23.1	178.6	-44.4	0	0	0	0	113.8	S292 R298	S292-S294 VanDerWaalsContact C-N 3.33Å; S292-S294 PolarHBondContact O-N 3.46Å; S294-R298 WeakPolarHBondContact O-CB 3.45Å
295	S	65.6	Low	66.2	Low	26 Å²	26	71.4 Å²	71.4	18%	0.182	37%	0.374	C	S	.	.	H	α-helix	trans	-84.3	-36.5	171.7	-62.9	0	0	0	0	111.8	S292 S293 R298 H299	S292-S295 WeakPolarHBondContact O-CA 3.37Å; S292-S295 WeakPolarHBondContact O-CB 3.27Å; S292-S295 PolarHBondContact O-N 2.99Å; S292-S295 WeakPolarHBondContact OG-CB 3.45Å; S292-S295 PolarHBondContact OG-OG 3.08Å; S293-S295 PolarHBondContact O-N 2.84Å; S293-S295 VanDerWaalsContact O-N 3.15Å; S295-R298 PolarHBondContact O-N 3.15Å; S295-R298 PolarHBondContact OG-NH2 3.08Å; S295-H299 PolarHBondContact O-N 3.25Å; S295-H299 VanDerWaalsContact O-N 3.07Å
296	Y	68.1	Low	65.6	Low	30 Å²	30	69.5 Å²	69.5	12%	0.118	37%	0.367	C	S	.	.	H	α-helix	trans	-61.2	-58.2	173.2	168.4	-90.7	0	0	0	112	E282 C283 F290 S292 S293 R298 H299 E300	E282-Y296 VanDerWaalsContact O-CE2 3.22Å; E282-Y296 WeakPolarHBondContact O-CE2 3.49Å; C283-Y296 HydrophobicContact CB-CE2 4.25Å; F290-Y296 HydrophobicContact CD2-CD2 4.41Å; S292-Y296 PolarHBondContact O-N 3.27Å; S293-Y296 CarbonylContact O-C 3.37Å; S293-Y296 WeakPolarHBondContact O-CA 3.32Å; S293-Y296 WeakPolarHBondContact O-CB 3.48Å; S293-Y296 PolarHBondContact O-N 2.84Å; Y296-R298 PolarHBondContact O-N 3.28Å; Y296-H299 CarbonylContact O-C 3.47Å; Y296-H299 WeakPolarHBondContact O-CA 3.45Å; Y296-H299 WeakPolarHBondContact O-CB 3.23Å; Y296-H299 PolarHBondContact O-N 3.18Å; Y296-E300 HydrophobicContact CE1-CB 4.46Å; Y296-E300 VanDerWaalsContact CE1-CD 3.46Å; Y296-E300 HydrophobicContact CE1-CG 4.49Å; Y296-E300 VanDerWaalsContact CE1-OE1 3.3Å; Y296-E300 WeakPolarHBondContact CE1-OE1 3.49Å; Y296-E300 WeakPolarHBondContact CE1-OE2 3.36Å; Y296-E300 VanDerWaalsContact CZ-OE1 3.3Å; Y296-E300 WeakPolarHBondContact O-CB 3.31Å; Y296-E300 PolarHBondContact O-N 3.16Å; Y296-E300 PolarHBondContact OH-OE1 3.02Å
297	H	64.2	Low	65.2	Low	83 Å²	83	73.8 Å²	73.8	38%	0.384	38%	0.382	S	S	.	.	H	α-helix	trans	-65.6	-11.7	179.3	-62.8	-53.3	0	0	0	114.2	S293 E300 R301	S293-H297 PolarHBondContact O-CD2 3.08Å; S293-H297 PolarHBondContact O-N 3.01Å; S293-H297 PolarHBondContact OG-CD2 3.46Å; S293-H297 PolarHBondContact OG-NE2 2.87Å; H297-E300 IonicContact CE1-OE2 2.93Å; H297-E300 IonicContact CG-OE2 2.75Å; H297-E300 IonicContact ND1-OE2 2.91Å; H297-E300 PolarHBondContact ND1-OE2 2.95Å; H297-R301 PolarHBondContact O-NE 3.03Å; H297-R301 VanDerWaalsContact O-NE 3.14Å
298	R	62.4	Low	65.1	Low	134 Å²	134	69.2 Å²	69.2	51%	0.506	36%	0.361	S	S	.	.	H	α-helix	trans	-83.4	-39	168.4	-179.8	177.3	59.6	-157.5	-8.9	111.1	S294 S295 Y296 Y320	S294-R298 WeakPolarHBondContact O-CB 3.45Å; S295-R298 PolarHBondContact O-N 3.15Å; S295-R298 PolarHBondContact OG-NH2 3.08Å; Y296-R298 PolarHBondContact O-N 3.28Å; R298-Y320 HydrophobicContact CG-CE1 3.7Å; R298-Y320 WeakPolarHBondContact CG-OH 3.41Å; R298-Y320 PolarHBondContact O-OH 3.01Å
299	H	67.9	Low	65.2	Low	19 Å²	19	67.5 Å²	67.5	9%	0.088	35%	0.352	C	S	.	.	H	α-helix	trans	-71.9	-38.5	172.7	172.1	45.4	0	0	0	112.6	C286 F290 S295 Y296 R301 S302 H303	C286-H299 PolarHBondContact SG-NE2 3.14Å; F290-H299 HydrophobicContact CE1-CB 4.04Å; F290-H299 HydrophobicContact CE2-CB 3.82Å; F290-H299 AromaticContact CE2-CD2 3.3Å; F290-H299 WeakPolarHBondContact CE2-CD2 3.31Å; F290-H299 AromaticContact CE2-CG 3.72Å; F290-H299 HydrophobicContact CZ-CB 3.43Å; F290-H299 VanDerWaalsContact CZ-CB 3.43Å; F290-H299 AromaticContact CZ-CD2 3.45Å; F290-H299 VanDerWaalsContact CZ-CD2 3.45Å; F290-H299 WeakPolarHBondContact CZ-CD2 3.41Å; F290-H299 AromaticContact CZ-CG 3.41Å; F290-H299 VanDerWaalsContact CZ-CG 3.41Å; S295-H299 PolarHBondContact O-N 3.25Å; S295-H299 VanDerWaalsContact O-N 3.07Å; Y296-H299 CarbonylContact O-C 3.47Å; Y296-H299 WeakPolarHBondContact O-CA 3.45Å; Y296-H299 WeakPolarHBondContact O-CB 3.23Å; Y296-H299 PolarHBondContact O-N 3.18Å; H299-R301 VanDerWaalsContact C-N 3.27Å; H299-R301 PolarHBondContact O-N 3.06Å; H299-S302 PolarHBondContact ND1-OG 3Å; H299-S302 WeakPolarHBondContact O-CA 3.42Å; H299-S302 WeakPolarHBondContact O-CB 3.23Å; H299-S302 PolarHBondContact O-N 3.25Å; H299-S302 PolarHBondContact O-OG 2.85Å; H299-H303 AromaticContact CD2-NE2 3.97Å; H299-H303 AromaticContact CE1-CD2 3.82Å; H299-H303 AromaticContact CE1-CE1 3.85Å; H299-H303 AromaticContact CE1-NE2 3.18Å; H299-H303 PolarHBondContact CE1-NE2 2.89Å; H299-H303 AromaticContact NE2-CD2 3.79Å; H299-H303 AromaticContact NE2-CE1 3.93Å; H299-H303 AromaticContact NE2-NE2 3.01Å; H299-H303 PolarHBondContact NE2-NE2 2.97Å
300	E	65.2	Low	65	Low	63 Å²	63	72.3 Å²	72.3	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-52	-44.5	177.6	-170.2	166.2	-131.8	0	0	112	Y296 H297 S302 H303	Y296-E300 HydrophobicContact CE1-CB 4.46Å; Y296-E300 VanDerWaalsContact CE1-CD 3.46Å; Y296-E300 HydrophobicContact CE1-CG 4.49Å; Y296-E300 VanDerWaalsContact CE1-OE1 3.3Å; Y296-E300 WeakPolarHBondContact CE1-OE1 3.49Å; Y296-E300 WeakPolarHBondContact CE1-OE2 3.36Å; Y296-E300 VanDerWaalsContact CZ-OE1 3.3Å; Y296-E300 WeakPolarHBondContact O-CB 3.31Å; Y296-E300 PolarHBondContact O-N 3.16Å; Y296-E300 PolarHBondContact OH-OE1 3.02Å; H297-E300 IonicContact CE1-OE2 2.93Å; H297-E300 IonicContact CG-OE2 2.75Å; H297-E300 IonicContact ND1-OE2 2.91Å; H297-E300 PolarHBondContact ND1-OE2 2.95Å; E300-S302 PolarHBondContact O-N 2.97Å; E300-H303 WeakPolarHBondContact O-CB 3.4Å; E300-H303 PolarHBondContact O-N 3.12Å
301	R	65.5	Low	65	Low	114 Å²	114	70.3 Å²	70.3	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-61.6	-20.5	172.8	-83.6	-179.3	-92.3	-158.7	-13.3	115.2	H297 H299 H303 M304	H297-R301 PolarHBondContact O-NE 3.03Å; H297-R301 VanDerWaalsContact O-NE 3.14Å; H299-R301 VanDerWaalsContact C-N 3.27Å; H299-R301 PolarHBondContact O-N 3.06Å; R301-H303 VanDerWaalsContact C-N 3.28Å; R301-H303 PolarHBondContact O-N 2.8Å; R301-M304 PolarHBondContact O-N 3.49Å
302	S	60.9	Low	65.4	Low	70 Å²	70	77.7 Å²	77.7	49%	0.49	39%	0.392	S	S	.	.	H	α-helix	trans	-74.8	-16.2	172.6	69.8	0	0	0	0	113.7	H299 E300	H299-S302 PolarHBondContact ND1-OG 3Å; H299-S302 WeakPolarHBondContact O-CA 3.42Å; H299-S302 WeakPolarHBondContact O-CB 3.23Å; H299-S302 PolarHBondContact O-N 3.25Å; H299-S302 PolarHBondContact O-OG 2.85Å; E300-S302 PolarHBondContact O-N 2.97Å
303	H	63.5	Low	65.1	Low	66 Å²	66	82.6 Å²	82.6	31%	0.306	41%	0.414	S	S	.	.	H	α-helix	trans	-86.8	-24.9	171.7	-66	-70.7	0	0	0	113.5	C283 K285 C286 H299 E300 R301 G305	C283-H303 PolarHBondContact SG-NE2 3.16Å; K285-H303 HydrophobicContact CD-CB 3.85Å; C286-H303 PolarHBondContact SG-CE1 3.04Å; H299-H303 AromaticContact CD2-NE2 3.97Å; H299-H303 AromaticContact CE1-CD2 3.82Å; H299-H303 AromaticContact CE1-CE1 3.85Å; H299-H303 AromaticContact CE1-NE2 3.18Å; H299-H303 PolarHBondContact CE1-NE2 2.89Å; H299-H303 AromaticContact NE2-CD2 3.79Å; H299-H303 AromaticContact NE2-CE1 3.93Å; H299-H303 AromaticContact NE2-NE2 3.01Å; H299-H303 PolarHBondContact NE2-NE2 2.97Å; E300-H303 WeakPolarHBondContact O-CB 3.4Å; E300-H303 PolarHBondContact O-N 3.12Å; R301-H303 VanDerWaalsContact C-N 3.28Å; R301-H303 PolarHBondContact O-N 2.8Å; H303-G305 VanDerWaalsContact C-N 3.26Å; H303-G305 PolarHBondContact O-N 2.93Å
304	M	58.8	Low	65.7	Low	102 Å²	102	83 Å²	83	50%	0.502	42%	0.416	S	S	.	.	S	Bend	trans	-78.8	-10.7	179	-62.5	179.9	73	0	0	112.7	R301 E306	R301-M304 PolarHBondContact O-N 3.49Å; M304-E306 HydrophobicContact CB-CG 4.19Å; M304-E306 WeakPolarHBondContact CE-OE1 3.43Å; M304-E306 PolarHBondContact O-N 3.17Å
305	G	57.5	Low	66.1	Low	52 Å²	52	81 Å²	81	54%	0.536	41%	0.41	S	S	.	.			trans	70	-18.1	-179.5	0	0	0	0	0	115.2	H303	H303-G305 VanDerWaalsContact C-N 3.26Å; H303-G305 PolarHBondContact O-N 2.93Å
306	E	56.2	Low	66.4	Low	96 Å²	96	85.2 Å²	85.2	45%	0.449	43%	0.425	S	S	.	.			trans	-48.9	134.1	-178.9	-71.1	179.7	-167.7	0	0	113.5	M304 P308	M304-E306 HydrophobicContact CB-CG 4.19Å; M304-E306 WeakPolarHBondContact CE-OE1 3.43Å; M304-E306 PolarHBondContact O-N 3.17Å; E306-P308 HydrophobicContact CB-CG 4.32Å
307	K	65.8	Low	66.5	Low	125 Å²	125	85.5 Å²	85.5	54%	0.543	43%	0.434	S	S	.	.			trans	-131.1	69.3	175.2	-68.3	161.7	-171.8	167.3	0	109.4	Y309 A317 F318	K307-Y309 PolarHBondContact O-N 3.47Å; K307-A317 HydrophobicContact CB-CB 3.5Å; K307-A317 HydrophobicContact CD-CB 3.95Å; K307-A317 HydrophobicContact CG-CB 4.32Å; K307-F318 CarbonylContact C-O 3.52Å; K307-F318 VanDerWaalsContact C-O 3.23Å; K307-F318 WeakPolarHBondContact CA-O 3.2Å
308	P	64.8	Low	66.9	Low	79 Å²	79	83.8 Å²	83.8	51%	0.513	43%	0.425	S	S	.	.			trans	-66.2	-10.1	-168.7	-20.7	34.5	0	0	0	114.3	E306	E306-P308 HydrophobicContact CB-CG 4.32Å
309	Y	67.9	Low	66.9	Low	80 Å²	80	78.6 Å²	78.6	31%	0.314	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	90.4	-173.1	-49.7	-66.2	0	0	0	109.7	K307 F318 Y320 T321	K307-Y309 PolarHBondContact O-N 3.47Å; Y309-F318 PolarHBondContact N-O 3.3Å; Y309-F318 PolarHBondContact O-N 3.04Å; Y309-Y320 VanDerWaalsContact CD2-C 3.43Å; Y309-T321 HydrophobicContact CD1-CG2 3.45Å; Y309-T321 VanDerWaalsContact CD1-CG2 3.45Å; Y309-T321 HydrophobicContact CD2-CG2 4.18Å; Y309-T321 VanDerWaalsContact CD2-N 3.32Å; Y309-T321 HydrophobicContact CE1-CG2 3.35Å; Y309-T321 HydrophobicContact CE2-CG2 4.08Å; Y309-T321 HydrophobicContact CG-CG2 3.87Å
310	Q	69.6	Low	66.8	Low	133 Å²	133	81.1 Å²	81.1	62%	0.621	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	141.7	177.6	-61.1	-173.1	0.1	0	0	112	A317	Q310-A317 HydrophobicContact CG-CB 3.9Å
311	C	75.1	Confident	66.7	Low	2 Å²	2	81.5 Å²	81.5	1%	0.014	43%	0.427	C	S	.	.			trans	-82.2	114.8	173.6	-174.4	0	0	0	0	110.6	E313 C314 G315 K316 F318 L324	C311-E313 PolarHBondContact O-N 2.94Å; C311-E313 VanDerWaalsContact O-N 3.16Å; C311-C314 PolarHBondContact O-N 2.88Å; C311-G315 WeakPolarHBondContact O-CA 3.42Å; C311-G315 PolarHBondContact O-N 3.17Å; C311-K316 WeakPolarHBondContact CB-O 3.18Å; C311-K316 PolarHBondContact N-O 2.97Å; C311-F318 HydrophobicContact CB-CE2 4.37Å; C311-L324 VanDerWaalsContact CA-CD1 3.47Å; C311-L324 HydrophobicContact CB-CD1 3.49Å; C311-L324 VanDerWaalsContact CB-CD1 3.49Å
312	K	73.3	Confident	66.4	Low	209 Å²	209	80 Å²	80	91%	0.909	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.7	-177.8	-63.1	-171.2	176.3	-169.8	0	113.6
313	E	67.6	Low	66.7	Low	118 Å²	118	77.6 Å²	77.6	55%	0.551	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-14.9	-175.6	-60.6	169.4	132.5	0	0	113.7	C311 H331	C311-E313 PolarHBondContact O-N 2.94Å; C311-E313 VanDerWaalsContact O-N 3.16Å; E313-H331 VanDerWaalsContact OE2-CB 3.26Å; E313-H331 WeakPolarHBondContact OE2-CB 3.38Å; E313-H331 IonicContact OE2-CD2 2.88Å; E313-H331 PolarHBondContact OE2-CD2 3.16Å; E313-H331 IonicContact OE2-CG 3.82Å
314	C	76.3	Confident	67	Low	47 Å²	47	75.3 Å²	75.3	32%	0.318	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154	9.1	-174.8	74.5	0	0	0	0	116.4	C311 K316 H327 H331	C311-C314 PolarHBondContact O-N 2.88Å; C314-K316 PolarHBondContact O-N 3.06Å; C314-H327 PolarHBondContact SG-NE2 3.02Å; C314-H331 WeakPolarHBondContact CB-NE2 3.38Å; C314-H331 PolarHBondContact SG-NE2 3.34Å; C314-H331 VanDerWaalsContact SG-NE2 3.4Å
315	G	71.4	Confident	67.3	Low	53 Å²	53	79 Å²	79	55%	0.546	42%	0.416	S	S	.	.			trans	68.8	-6.4	179.9	0	0	0	0	0	116.1	C311 A317	C311-G315 WeakPolarHBondContact O-CA 3.42Å; C311-G315 PolarHBondContact O-N 3.17Å; G315-A317 PolarHBondContact O-N 3.3Å
316	K	73.1	Confident	67.5	Low	115 Å²	115	82.5 Å²	82.5	50%	0.5	41%	0.413	S	S	.	.			trans	-66.8	122.5	-175.3	-73.6	169.9	-175.9	157.9	0	111.3	C311 C314 F318 H327	C311-K316 WeakPolarHBondContact CB-O 3.18Å; C311-K316 PolarHBondContact N-O 2.97Å; C314-K316 PolarHBondContact O-N 3.06Å; K316-F318 HydrophobicContact CB-CE2 3.87Å; K316-F318 HydrophobicContact CB-CZ 4.08Å; K316-F318 VanDerWaalsContact O-CD2 3.31Å; K316-F318 WeakPolarHBondContact O-CD2 3.37Å; K316-F318 WeakPolarHBondContact O-CE2 3.43Å; K316-H327 WeakPolarHBondContact CD-NE2 3.36Å
317	A	70.1	Confident	68.2	Low	36 Å²	36	79.3 Å²	79.3	30%	0.298	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.9	-175.9	0	0	0	0	0	112.5	K307 Q310 G315	K307-A317 HydrophobicContact CB-CB 3.5Å; K307-A317 HydrophobicContact CD-CB 3.95Å; K307-A317 HydrophobicContact CG-CB 4.32Å; Q310-A317 HydrophobicContact CG-CB 3.9Å; G315-A317 PolarHBondContact O-N 3.3Å
318	F	72.2	Confident	68.3	Low	47 Å²	47	76.2 Å²	76.2	21%	0.206	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.1	-179.2	-60.3	-88.6	0	0	0	112.3	K307 Y309 C311 K316 Y320 L324 H327	K307-F318 CarbonylContact C-O 3.52Å; K307-F318 VanDerWaalsContact C-O 3.23Å; K307-F318 WeakPolarHBondContact CA-O 3.2Å; Y309-F318 PolarHBondContact N-O 3.3Å; Y309-F318 PolarHBondContact O-N 3.04Å; C311-F318 HydrophobicContact CB-CE2 4.37Å; K316-F318 HydrophobicContact CB-CE2 3.87Å; K316-F318 HydrophobicContact CB-CZ 4.08Å; K316-F318 VanDerWaalsContact O-CD2 3.31Å; K316-F318 WeakPolarHBondContact O-CD2 3.37Å; K316-F318 WeakPolarHBondContact O-CE2 3.43Å; F318-Y320 PolarHBondContact O-N 2.92Å; F318-L324 HydrophobicContact CB-CB 4.33Å; F318-L324 HydrophobicContact CD2-CB 4.03Å; F318-L324 HydrophobicContact CD2-CD1 3.96Å; F318-L324 HydrophobicContact CE2-CD1 4.23Å; F318-L324 HydrophobicContact CG-CB 4.35Å; F318-H327 HydrophobicContact CE1-CB 4.2Å; F318-H327 HydrophobicContact CE2-CB 3.89Å; F318-H327 AromaticContact CE2-CD2 3.42Å; F318-H327 VanDerWaalsContact CE2-CD2 3.42Å; F318-H327 WeakPolarHBondContact CE2-CD2 3.29Å; F318-H327 AromaticContact CE2-CG 3.92Å; F318-H327 HydrophobicContact CZ-CB 3.54Å; F318-H327 AromaticContact CZ-CD2 3.3Å; F318-H327 WeakPolarHBondContact CZ-CD2 3.05Å; F318-H327 AromaticContact CZ-CG 3.49Å; F318-H327 VanDerWaalsContact CZ-CG 3.49Å
319	A	62.8	Low	68.5	Low	25 Å²	25	77.2 Å²	77.2	21%	0.207	38%	0.379	C	S	.	.	S	Bend	trans	-70.6	-12.3	173.5	0	0	0	0	0	113.9
320	Y	65.5	Low	68.2	Low	71 Å²	71	77.4 Å²	77.4	28%	0.278	39%	0.388	S	S	.	.			trans	-142.1	136.2	-176.2	-44.3	-68.7	0	0	0	112.9	R298 Y309 F318 S322 S323 L324	R298-Y320 HydrophobicContact CG-CE1 3.7Å; R298-Y320 WeakPolarHBondContact CG-OH 3.41Å; R298-Y320 PolarHBondContact O-OH 3.01Å; Y309-Y320 VanDerWaalsContact CD2-C 3.43Å; F318-Y320 PolarHBondContact O-N 2.92Å; Y320-S322 PolarHBondContact O-N 3.32Å; Y320-S323 WeakPolarHBondContact O-CA 3.2Å; Y320-S323 WeakPolarHBondContact O-CB 3.14Å; Y320-S323 PolarHBondContact O-N 3.24Å; Y320-L324 PolarHBondContact O-N 3.24Å
321	T	62.8	Low	68	Low	72 Å²	72	75.2 Å²	75.2	44%	0.442	38%	0.378	S	S	.	.	H	α-helix	trans	-52.4	-37.1	170.7	52.3	0	0	0	0	113	Y309 S323 L324 R325	Y309-T321 HydrophobicContact CD1-CG2 3.45Å; Y309-T321 VanDerWaalsContact CD1-CG2 3.45Å; Y309-T321 HydrophobicContact CD2-CG2 4.18Å; Y309-T321 VanDerWaalsContact CD2-N 3.32Å; Y309-T321 HydrophobicContact CE1-CG2 3.35Å; Y309-T321 HydrophobicContact CE2-CG2 4.08Å; Y309-T321 HydrophobicContact CG-CG2 3.87Å; T321-S323 VanDerWaalsContact C-N 3.29Å; T321-S323 PolarHBondContact O-N 3.37Å; T321-L324 PolarHBondContact O-N 2.97Å; T321-R325 WeakPolarHBondContact O-CB 3.45Å; T321-R325 WeakPolarHBondContact O-CG 3.46Å; T321-R325 PolarHBondContact O-N 2.98Å
322	S	59.7	Low	67.3	Low	83 Å²	83	77.8 Å²	77.8	58%	0.58	40%	0.396	S	S	*	.	H	α-helix	trans	-70.2	-22.9	177.3	59.4	0	0	0	0	113.9	Y320 R326	Y320-S322 PolarHBondContact O-N 3.32Å; S322-R326 WeakPolarHBondContact O-CB 3.47Å; S322-R326 PolarHBondContact O-N 2.88Å
323	S	67.8	Low	66.7	Low	18 Å²	18	70.1 Å²	70.1	13%	0.126	38%	0.376	C	S	.	.	H	α-helix	trans	-84.3	-37.8	172.4	-68.4	0	0	0	0	111.5	Y320 T321 R326 H327	Y320-S323 WeakPolarHBondContact O-CA 3.2Å; Y320-S323 WeakPolarHBondContact O-CB 3.14Å; Y320-S323 PolarHBondContact O-N 3.24Å; T321-S323 VanDerWaalsContact C-N 3.29Å; T321-S323 PolarHBondContact O-N 3.37Å; S323-R326 PolarHBondContact O-N 3.17Å; S323-R326 PolarHBondContact OG-NH2 2.97Å; S323-H327 PolarHBondContact O-N 2.84Å
324	L	68.9	Low	66.2	Low	19 Å²	19	71.8 Å²	71.8	10%	0.099	38%	0.381	C	S	.	.	H	α-helix	trans	-60	-54.4	170.1	173.5	58.4	0	0	0	111.4	C311 F318 Y320 T321 R326 H327 E328	C311-L324 VanDerWaalsContact CA-CD1 3.47Å; C311-L324 HydrophobicContact CB-CD1 3.49Å; C311-L324 VanDerWaalsContact CB-CD1 3.49Å; F318-L324 HydrophobicContact CB-CB 4.33Å; F318-L324 HydrophobicContact CD2-CB 4.03Å; F318-L324 HydrophobicContact CD2-CD1 3.96Å; F318-L324 HydrophobicContact CE2-CD1 4.23Å; F318-L324 HydrophobicContact CG-CB 4.35Å; Y320-L324 PolarHBondContact O-N 3.24Å; T321-L324 PolarHBondContact O-N 2.97Å; L324-R326 PolarHBondContact O-N 3.33Å; L324-H327 CarbonylContact O-C 3.55Å; L324-H327 WeakPolarHBondContact O-CA 3.2Å; L324-H327 WeakPolarHBondContact O-CB 3.3Å; L324-H327 PolarHBondContact O-N 2.94Å; L324-E328 HydrophobicContact CD1-CG 3.83Å; L324-E328 WeakPolarHBondContact CD1-OE1 3.32Å; L324-E328 HydrophobicContact CG-CG 4.27Å; L324-E328 WeakPolarHBondContact CG-OE1 3.33Å; L324-E328 WeakPolarHBondContact O-CG 3.47Å; L324-E328 PolarHBondContact O-N 3.49Å
325	R	64.1	Low	65.5	Low	179 Å²	179	74 Å²	74	68%	0.675	39%	0.386	S	S	*	.	H	α-helix	trans	-61.2	-11.1	175.9	-73.1	-177.2	175.5	-167.2	-1	115.5	T321 E328 R329	T321-R325 WeakPolarHBondContact O-CB 3.45Å; T321-R325 WeakPolarHBondContact O-CG 3.46Å; T321-R325 PolarHBondContact O-N 2.98Å; R325-E328 VanDerWaalsContact CA-OE2 3.24Å; R325-E328 WeakPolarHBondContact CA-OE2 3.46Å; R325-E328 PolarHBondContact N-OE2 3.47Å; R325-R329 WeakPolarHBondContact O-CG 3.24Å; R325-R329 PolarHBondContact O-NE 3.16Å; R325-R329 VanDerWaalsContact O-NE 3.1Å
326	R	62.9	Low	64.9	Low	126 Å²	126	75 Å²	75	48%	0.475	38%	0.383	S	S	.	.	H	α-helix	trans	-92.3	-31.6	169.7	177.1	177.5	59.6	-173.8	-6.2	111.5	S322 S323 L324 Y348	S322-R326 WeakPolarHBondContact O-CB 3.47Å; S322-R326 PolarHBondContact O-N 2.88Å; S323-R326 PolarHBondContact O-N 3.17Å; S323-R326 PolarHBondContact OG-NH2 2.97Å; L324-R326 PolarHBondContact O-N 3.33Å; R326-Y348 WeakPolarHBondContact CD-OH 3.4Å; R326-Y348 HydrophobicContact CG-CE1 3.96Å; R326-Y348 WeakPolarHBondContact CG-OH 3.13Å
327	H	70.2	Confident	64.2	Low	28 Å²	28	73.1 Å²	73.1	13%	0.13	37%	0.373	C	S	.	.	H	α-helix	trans	-76.9	-38.5	176.3	-174.7	36.5	0	0	0	113.1	C314 K316 F318 S323 L324 R329 T330 H331	C314-H327 PolarHBondContact SG-NE2 3.02Å; K316-H327 WeakPolarHBondContact CD-NE2 3.36Å; F318-H327 HydrophobicContact CE1-CB 4.2Å; F318-H327 HydrophobicContact CE2-CB 3.89Å; F318-H327 AromaticContact CE2-CD2 3.42Å; F318-H327 VanDerWaalsContact CE2-CD2 3.42Å; F318-H327 WeakPolarHBondContact CE2-CD2 3.29Å; F318-H327 AromaticContact CE2-CG 3.92Å; F318-H327 HydrophobicContact CZ-CB 3.54Å; F318-H327 AromaticContact CZ-CD2 3.3Å; F318-H327 WeakPolarHBondContact CZ-CD2 3.05Å; F318-H327 AromaticContact CZ-CG 3.49Å; F318-H327 VanDerWaalsContact CZ-CG 3.49Å; S323-H327 PolarHBondContact O-N 2.84Å; L324-H327 CarbonylContact O-C 3.55Å; L324-H327 WeakPolarHBondContact O-CA 3.2Å; L324-H327 WeakPolarHBondContact O-CB 3.3Å; L324-H327 PolarHBondContact O-N 2.94Å; H327-R329 PolarHBondContact O-N 3.29Å; H327-R329 VanDerWaalsContact O-N 3.09Å; H327-T330 PolarHBondContact CE1-OG1 2.75Å; H327-T330 VanDerWaalsContact CE1-OG1 3.32Å; H327-T330 PolarHBondContact ND1-OG1 2.86Å; H327-T330 WeakPolarHBondContact O-CA 3.25Å; H327-T330 WeakPolarHBondContact O-CB 3.46Å; H327-T330 PolarHBondContact O-N 2.63Å; H327-T330 PolarHBondContact O-OG1 3.09Å; H327-H331 AromaticContact CE1-NE2 3.54Å; H327-H331 AromaticContact NE2-NE2 3.61Å
328	E	67.8	Low	63.5	Low	61 Å²	61	77.8 Å²	77.8	29%	0.285	39%	0.389	S	S	.	.	H	α-helix	trans	-58.8	-24.5	176.6	-67	162.6	152.2	0	0	112	L324 R325 T330 H331 S332	L324-E328 HydrophobicContact CD1-CG 3.83Å; L324-E328 WeakPolarHBondContact CD1-OE1 3.32Å; L324-E328 HydrophobicContact CG-CG 4.27Å; L324-E328 WeakPolarHBondContact CG-OE1 3.33Å; L324-E328 WeakPolarHBondContact O-CG 3.47Å; L324-E328 PolarHBondContact O-N 3.49Å; R325-E328 VanDerWaalsContact CA-OE2 3.24Å; R325-E328 WeakPolarHBondContact CA-OE2 3.46Å; R325-E328 PolarHBondContact N-OE2 3.47Å; E328-T330 VanDerWaalsContact C-N 3.26Å; E328-T330 PolarHBondContact O-N 3.2Å; E328-H331 PolarHBondContact O-N 2.95Å; E328-S332 PolarHBondContact O-N 3.05Å; E328-S332 VanDerWaalsContact O-N 3.13Å; E328-S332 PolarHBondContact O-OG 2.92Å
329	R	69.3	Low	62.5	Low	100 Å²	100	76.2 Å²	76.2	38%	0.377	38%	0.383	S	S	.	.	H	α-helix	trans	-70.1	-15.6	170.8	-58	177.6	-169.6	-151.9	-8	114.4	R325 H327	R325-R329 WeakPolarHBondContact O-CG 3.24Å; R325-R329 PolarHBondContact O-NE 3.16Å; R325-R329 VanDerWaalsContact O-NE 3.1Å; H327-R329 PolarHBondContact O-N 3.29Å; H327-R329 VanDerWaalsContact O-N 3.09Å
330	T	62	Low	62.2	Low	84 Å²	84	85.6 Å²	85.6	52%	0.515	42%	0.419	S	S	.	.	H	α-helix	trans	-88.1	-18.2	176.6	67.2	0	0	0	0	113	H327 E328	H327-T330 PolarHBondContact CE1-OG1 2.75Å; H327-T330 VanDerWaalsContact CE1-OG1 3.32Å; H327-T330 PolarHBondContact ND1-OG1 2.86Å; H327-T330 WeakPolarHBondContact O-CA 3.25Å; H327-T330 WeakPolarHBondContact O-CB 3.46Å; H327-T330 PolarHBondContact O-N 2.63Å; H327-T330 PolarHBondContact O-OG1 3.09Å; E328-T330 VanDerWaalsContact C-N 3.26Å; E328-T330 PolarHBondContact O-N 3.2Å
331	H	65.8	Low	61.5	Low	86 Å²	86	89 Å²	89	40%	0.398	44%	0.438	S	S	.	.	H	α-helix	trans	-91.1	-55.1	172.9	-57	-51.3	0	0	0	110.7	E313 C314 H327 E328 G333	E313-H331 VanDerWaalsContact OE2-CB 3.26Å; E313-H331 WeakPolarHBondContact OE2-CB 3.38Å; E313-H331 IonicContact OE2-CD2 2.88Å; E313-H331 PolarHBondContact OE2-CD2 3.16Å; E313-H331 IonicContact OE2-CG 3.82Å; C314-H331 WeakPolarHBondContact CB-NE2 3.38Å; C314-H331 PolarHBondContact SG-NE2 3.34Å; C314-H331 VanDerWaalsContact SG-NE2 3.4Å; H327-H331 AromaticContact CE1-NE2 3.54Å; H327-H331 AromaticContact NE2-NE2 3.61Å; E328-H331 PolarHBondContact O-N 2.95Å; H331-G333 PolarHBondContact O-N 3.25Å
332	S	60.6	Low	61	Low	57 Å²	57	91.8 Å²	91.8	40%	0.399	44%	0.441	S	S	.	.	S	Bend	trans	-64.5	-4.7	-179.9	58.1	0	0	0	0	115.2	E328 K334	E328-S332 PolarHBondContact O-N 3.05Å; E328-S332 VanDerWaalsContact O-N 3.13Å; E328-S332 PolarHBondContact O-OG 2.92Å; S332-K334 WeakPolarHBondContact O-CG 3.34Å; S332-K334 PolarHBondContact O-N 3.27Å
333	G	59.1	Low	60.6	Low	48 Å²	48	91.2 Å²	91.2	50%	0.495	45%	0.448	S	S	.	.			trans	65.7	-11	179.3	0	0	0	0	0	116	H331 K335	H331-G333 PolarHBondContact O-N 3.25Å; G333-K335 WeakPolarHBondContact O-CG 3.43Å; G333-K335 PolarHBondContact O-N 3.17Å
334	K	57.1	Low	59.7	Low	152 Å²	152	95.5 Å²	95.5	66%	0.661	47%	0.466	S	S	*	.			trans	-59.4	117.2	-169.4	-67.8	-174	179.3	-177.1	0	111.6	S332 P336	S332-K334 WeakPolarHBondContact O-CG 3.34Å; S332-K334 PolarHBondContact O-N 3.27Å; K334-P336 WeakPolarHBondContact O-CD 3.4Å
335	K	62.7	Low	58.9	Low	95 Å²	95	94.7 Å²	94.7	41%	0.413	46%	0.463	S	S	.	.			trans	-107.9	89.5	-180	-77.2	151	159.9	-123.7	0	108.7	G333 Y337 E338 G345 L346	G333-K335 WeakPolarHBondContact O-CG 3.43Å; G333-K335 PolarHBondContact O-N 3.17Å; K335-Y337 PolarHBondContact O-N 3.3Å; K335-E338 WeakPolarHBondContact O-CG 3.34Å; K335-G345 VanDerWaalsContact CD-O 3.26Å; K335-G345 WeakPolarHBondContact CD-O 3.29Å; K335-G345 WeakPolarHBondContact CE-O 3.42Å; K335-G345 WeakPolarHBondContact CG-O 3.43Å; K335-G345 PolarHBondContact NZ-O 3.18Å; K335-L346 CarbonylContact C-O 3.5Å
336	P	59	Low	58.9	Low	73 Å²	73	88.1 Å²	88.1	47%	0.474	44%	0.44	S	S	.	.	S	Bend	trans	-73.7	5.1	-166.2	-16.6	33.2	0	0	0	115	K334	K334-P336 WeakPolarHBondContact O-CD 3.4Å
337	Y	57	Low	58.3	Low	75 Å²	75	83.9 Å²	83.9	29%	0.294	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	99.3	-177.3	-51	-78.1	0	0	0	108.1	K335 L346 L349 F352	K335-Y337 PolarHBondContact O-N 3.3Å; Y337-L346 PolarHBondContact N-O 3.07Å; Y337-L346 PolarHBondContact O-N 3.31Å; Y337-L349 HydrophobicContact CD1-CB 4.41Å; Y337-L349 HydrophobicContact CD1-CD1 3.99Å; Y337-L349 HydrophobicContact CE1-CB 3.91Å; Y337-L349 HydrophobicContact CE1-CD1 3.89Å; Y337-L349 HydrophobicContact CE1-CG 4.39Å; Y337-L349 HydrophobicContact CE2-CB 4.11Å; Y337-L349 VanDerWaalsContact CE2-N 3.28Å; Y337-F352 HydrophobicContact CG-CB 4.34Å; Y337-F352 HydrophobicContact CG-CG 4.43Å
338	E	55.4	Low	57.9	Low	135 Å²	135	87.4 Å²	87.4	63%	0.631	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.4	-173.6	-57.6	-167.3	142.7	0	0	111.5	K335 K340	K335-E338 WeakPolarHBondContact O-CG 3.34Å; E338-K340 PolarHBondContact O-N 3.01Å
339	C	52.4	Low	57.2	Low	13 Å²	13	88.3 Å²	88.3	9%	0.088	45%	0.45	C	S	.	.			trans	-84	99.4	177.9	-169.1	0	0	0	0	109.4	Q341 Y342 G343 F352	C339-Q341 PolarHBondContact O-N 2.91Å; C339-Y342 PolarHBondContact O-N 2.95Å; C339-G343 PolarHBondContact O-N 2.95Å; C339-F352 HydrophobicContact CB-CE2 4.15Å
340	K	55.3	Low	56.7	Low	222 Å²	222	89.7 Å²	89.7	97%	0.965	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-22.8	179	-69.2	-169.4	175.4	-172.1	0	114.4	E338	E338-K340 PolarHBondContact O-N 3.01Å
341	Q	52.3	Low	56.7	Low	143 Å²	143	88 Å²	88	67%	0.668	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-20.3	-178.5	-165.9	178.7	10.5	0	0	114.1	C339	C339-Q341 PolarHBondContact O-N 2.91Å
342	Y	51.6	Low	56.5	Low	131 Å²	131	85.7 Å²	85.7	51%	0.514	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	0.9	-169.7	-63.2	-69.3	0	0	0	115.6	C339 E344 N359	C339-Y342 PolarHBondContact O-N 2.95Å; Y342-E344 PolarHBondContact O-N 2.92Å; Y342-N359 WeakPolarHBondContact CD2-ND2 3.4Å; Y342-N359 HydrophobicContact CE2-CB 4.11Å
343	G	50.9	Low	56.7	Low	70 Å²	70	87.1 Å²	87.1	72%	0.722	44%	0.444	S	S	*	.			trans	70.6	-10.5	175.1	0	0	0	0	0	116.3	C339 G345	C339-G343 PolarHBondContact O-N 2.95Å; G343-G345 PolarHBondContact O-N 2.78Å
344	E	48.7	Very low	56.9	Low	108 Å²	108	86.6 Å²	86.6	51%	0.505	43%	0.431	S	S	.	.			trans	-70.7	93.6	174.4	-73.3	-153.2	145.5	0	0	111.7	Y342 H355	Y342-E344 PolarHBondContact O-N 2.92Å; E344-H355 IonicContact OE2-CE1 3.47Å; E344-H355 PolarHBondContact OE2-CE1 2.91Å; E344-H355 IonicContact OE2-ND1 3.24Å; E344-H355 PolarHBondContact OE2-ND1 2.84Å
345	G	53.2	Low	57.4	Low	3 Å²	3	80.3 Å²	80.3	3%	0.031	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	136.3	162.4	0	0	0	0	0	112.1	K335 G343	K335-G345 VanDerWaalsContact CD-O 3.26Å; K335-G345 WeakPolarHBondContact CD-O 3.29Å; K335-G345 WeakPolarHBondContact CE-O 3.42Å; K335-G345 WeakPolarHBondContact CG-O 3.43Å; K335-G345 PolarHBondContact NZ-O 3.18Å; G343-G345 PolarHBondContact O-N 2.78Å
346	L	63	Low	57.5	Low	40 Å²	40	79.2 Å²	79.2	21%	0.209	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.5	-177.9	-70.9	166.2	0	0	0	112.2	K335 Y337 Y348 F352 H355	K335-L346 CarbonylContact C-O 3.5Å; Y337-L346 PolarHBondContact N-O 3.07Å; Y337-L346 PolarHBondContact O-N 3.31Å; L346-Y348 VanDerWaalsContact C-N 3.34Å; L346-Y348 PolarHBondContact O-N 3.18Å; L346-F352 HydrophobicContact CB-CB 4.43Å; L346-F352 HydrophobicContact CD1-CB 4.34Å; L346-F352 HydrophobicContact CD1-CD2 4.39Å; L346-H355 HydrophobicContact CD1-CB 3.51Å
347	S	51.5	Low	58.1	Low	38 Å²	38	78.6 Å²	78.6	27%	0.266	39%	0.39	S	S	.	.	S	Bend	trans	-80.4	-8.3	-173.3	-43.5	0	0	0	0	115.2
348	Y	60.8	Low	58.3	Low	102 Å²	102	80.4 Å²	80.4	40%	0.4	40%	0.403	S	S	.	.			trans	-143.9	133.3	-171.2	-54.6	-74.9	0	0	0	112.5	R326 L346 I350 S351 F352	R326-Y348 WeakPolarHBondContact CD-OH 3.4Å; R326-Y348 HydrophobicContact CG-CE1 3.96Å; R326-Y348 WeakPolarHBondContact CG-OH 3.13Å; L346-Y348 VanDerWaalsContact C-N 3.34Å; L346-Y348 PolarHBondContact O-N 3.18Å; Y348-I350 VanDerWaalsContact C-N 3.34Å; Y348-I350 PolarHBondContact O-N 2.63Å; Y348-S351 WeakPolarHBondContact O-CB 3.28Å; Y348-S351 PolarHBondContact O-N 2.98Å; Y348-S351 VanDerWaalsContact O-N 3.07Å; Y348-F352 PolarHBondContact O-N 2.99Å
349	L	54.1	Low	58.6	Low	80 Å²	80	77.5 Å²	77.5	42%	0.419	39%	0.391	S	S	.	.	H	α-helix	trans	-56.1	-42.3	179.4	-179.4	59.8	0	0	0	113.3	Y337 S351 F352 Q353	Y337-L349 HydrophobicContact CD1-CB 4.41Å; Y337-L349 HydrophobicContact CD1-CD1 3.99Å; Y337-L349 HydrophobicContact CE1-CB 3.91Å; Y337-L349 HydrophobicContact CE1-CD1 3.89Å; Y337-L349 HydrophobicContact CE1-CG 4.39Å; Y337-L349 HydrophobicContact CE2-CB 4.11Å; Y337-L349 VanDerWaalsContact CE2-N 3.28Å; L349-S351 VanDerWaalsContact C-N 3.32Å; L349-S351 PolarHBondContact O-N 3.19Å; L349-F352 HydrophobicContact CD1-CD1 4.37Å; L349-F352 WeakPolarHBondContact O-CB 3.36Å; L349-F352 PolarHBondContact O-N 3.44Å; L349-Q353 HydrophobicContact CD1-CG 4.25Å; L349-Q353 HydrophobicContact CG-CG 4.47Å; L349-Q353 WeakPolarHBondContact O-CB 3.11Å; L349-Q353 WeakPolarHBondContact O-CG 3.48Å; L349-Q353 PolarHBondContact O-N 3.38Å
350	I	58.8	Low	59.2	Low	129 Å²	129	80.5 Å²	80.5	66%	0.662	41%	0.413	S	S	*	.	H	α-helix	trans	-64.9	-38.3	179.2	-60.2	174.2	0	0	0	110.8	Y348 T354	Y348-I350 VanDerWaalsContact C-N 3.34Å; Y348-I350 PolarHBondContact O-N 2.63Å; I350-T354 PolarHBondContact O-N 3.04Å; I350-T354 PolarHBondContact O-OG1 3.42Å
351	S	61.9	Low	59.6	Low	49 Å²	49	71.8 Å²	71.8	34%	0.343	39%	0.386	S	S	.	.	H	α-helix	trans	-66.9	-41.9	175.6	-60.8	0	0	0	0	111.4	Y348 L349 T354 H355	Y348-S351 WeakPolarHBondContact O-CB 3.28Å; Y348-S351 PolarHBondContact O-N 2.98Å; Y348-S351 VanDerWaalsContact O-N 3.07Å; L349-S351 VanDerWaalsContact C-N 3.32Å; L349-S351 PolarHBondContact O-N 3.19Å; S351-T354 WeakPolarHBondContact CA-OG1 3.45Å; S351-T354 PolarHBondContact O-N 2.87Å; S351-T354 PolarHBondContact O-OG1 2.96Å; S351-H355 WeakPolarHBondContact O-CB 3.32Å; S351-H355 PolarHBondContact O-N 3.47Å
352	F	62	Low	60.4	Low	37 Å²	37	69.2 Å²	69.2	16%	0.162	37%	0.374	C	S	.	.	H	α-helix	trans	-61.5	-46.8	175	-179.1	-112.5	0	0	0	112.3	Y337 C339 L346 Y348 L349 T354 H355 I356	Y337-F352 HydrophobicContact CG-CB 4.34Å; Y337-F352 HydrophobicContact CG-CG 4.43Å; C339-F352 HydrophobicContact CB-CE2 4.15Å; L346-F352 HydrophobicContact CB-CB 4.43Å; L346-F352 HydrophobicContact CD1-CB 4.34Å; L346-F352 HydrophobicContact CD1-CD2 4.39Å; Y348-F352 PolarHBondContact O-N 2.99Å; L349-F352 HydrophobicContact CD1-CD1 4.37Å; L349-F352 WeakPolarHBondContact O-CB 3.36Å; L349-F352 PolarHBondContact O-N 3.44Å; F352-T354 VanDerWaalsContact C-N 3.31Å; F352-T354 PolarHBondContact O-N 3.03Å; F352-H355 PolarHBondContact O-N 2.93Å; F352-H355 VanDerWaalsContact O-N 3.12Å; F352-I356 HydrophobicContact CD1-CD1 3.86Å; F352-I356 HydrophobicContact CE1-CD1 3.51Å; F352-I356 HydrophobicContact CE2-CD1 4.19Å; F352-I356 HydrophobicContact CG-CD1 4.37Å; F352-I356 HydrophobicContact CZ-CD1 3.7Å; F352-I356 WeakPolarHBondContact O-CG1 3.27Å; F352-I356 PolarHBondContact O-N 2.76Å
353	Q	64.6	Low	61.5	Low	86 Å²	86	68.4 Å²	68.4	40%	0.402	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-38.1	173.3	-72.7	171.1	-20.9	0	0	112.3	L349 R357	L349-Q353 HydrophobicContact CD1-CG 4.25Å; L349-Q353 HydrophobicContact CG-CG 4.47Å; L349-Q353 WeakPolarHBondContact O-CB 3.11Å; L349-Q353 WeakPolarHBondContact O-CG 3.48Å; L349-Q353 PolarHBondContact O-N 3.38Å; Q353-R357 WeakPolarHBondContact O-CB 3.47Å; Q353-R357 VanDerWaalsContact O-CG 3.31Å; Q353-R357 WeakPolarHBondContact O-CG 3.32Å; Q353-R357 PolarHBondContact O-N 3.12Å; Q353-R357 VanDerWaalsContact O-N 3.15Å
354	T	62.1	Low	62.5	Low	37 Å²	37	68 Å²	68	23%	0.227	35%	0.354	C	S	.	.	H	α-helix	trans	-72	-32.3	173.5	51.4	0	0	0	0	113.8	I350 S351 F352 M358	I350-T354 PolarHBondContact O-N 3.04Å; I350-T354 PolarHBondContact O-OG1 3.42Å; S351-T354 WeakPolarHBondContact CA-OG1 3.45Å; S351-T354 PolarHBondContact O-N 2.87Å; S351-T354 PolarHBondContact O-OG1 2.96Å; F352-T354 VanDerWaalsContact C-N 3.31Å; F352-T354 PolarHBondContact O-N 3.03Å; T354-M358 WeakPolarHBondContact O-CB 3.42Å; T354-M358 VanDerWaalsContact O-CG 3.24Å; T354-M358 WeakPolarHBondContact O-CG 3.38Å; T354-M358 PolarHBondContact O-N 3.1Å
355	H	67.4	Low	63.8	Low	21 Å²	21	66.6 Å²	66.6	10%	0.097	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-48.4	174.4	168.6	107.5	0	0	0	110.5	E344 L346 S351 F352 R357 M358 N359	E344-H355 IonicContact OE2-CE1 3.47Å; E344-H355 PolarHBondContact OE2-CE1 2.91Å; E344-H355 IonicContact OE2-ND1 3.24Å; E344-H355 PolarHBondContact OE2-ND1 2.84Å; L346-H355 HydrophobicContact CD1-CB 3.51Å; S351-H355 WeakPolarHBondContact O-CB 3.32Å; S351-H355 PolarHBondContact O-N 3.47Å; F352-H355 PolarHBondContact O-N 2.93Å; F352-H355 VanDerWaalsContact O-N 3.12Å; H355-R357 VanDerWaalsContact C-N 3.34Å; H355-R357 PolarHBondContact O-N 3.19Å; H355-M358 WeakPolarHBondContact O-CB 3.28Å; H355-M358 PolarHBondContact O-N 3.15Å; H355-N359 PolarHBondContact CD2-ND2 3.46Å; H355-N359 PolarHBondContact NE2-ND2 2.85Å; H355-N359 VanDerWaalsContact O-CG 3.32Å; H355-N359 PolarHBondContact O-N 2.83Å; H355-N359 PolarHBondContact O-OD1 3.28Å
356	I	65.5	Low	64.8	Low	71 Å²	71	73.5 Å²	73.5	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-55	-49.7	174.8	-69.7	170.6	0	0	0	110.7	F352 M358 N359 S360	F352-I356 HydrophobicContact CD1-CD1 3.86Å; F352-I356 HydrophobicContact CE1-CD1 3.51Å; F352-I356 HydrophobicContact CE2-CD1 4.19Å; F352-I356 HydrophobicContact CG-CD1 4.37Å; F352-I356 HydrophobicContact CZ-CD1 3.7Å; F352-I356 WeakPolarHBondContact O-CG1 3.27Å; F352-I356 PolarHBondContact O-N 2.76Å; I356-M358 VanDerWaalsContact C-N 3.29Å; I356-M358 PolarHBondContact O-N 3.41Å; I356-N359 PolarHBondContact O-N 3.26Å; I356-N359 VanDerWaalsContact O-N 3.1Å; I356-S360 PolarHBondContact O-N 2.87Å; I356-S360 PolarHBondContact O-OG 3.24Å
357	R	72.6	Confident	65.5	Low	61 Å²	61	71.9 Å²	71.9	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-60.3	-35.1	176.7	-75.3	178.3	173.5	144.3	6.6	113.9	Q353 H355 N359 S360 G361 E362 Y375	Q353-R357 WeakPolarHBondContact O-CB 3.47Å; Q353-R357 VanDerWaalsContact O-CG 3.31Å; Q353-R357 WeakPolarHBondContact O-CG 3.32Å; Q353-R357 PolarHBondContact O-N 3.12Å; Q353-R357 VanDerWaalsContact O-N 3.15Å; H355-R357 VanDerWaalsContact C-N 3.34Å; H355-R357 PolarHBondContact O-N 3.19Å; R357-N359 VanDerWaalsContact C-N 3.32Å; R357-S360 WeakPolarHBondContact CA-OG 3.42Å; R357-S360 PolarHBondContact O-OG 3.35Å; R357-G361 CarbonylContact O-C 3.5Å; R357-G361 PolarHBondContact O-N 2.85Å; R357-G361 VanDerWaalsContact O-N 3.15Å; R357-E362 HydrophobicContact CB-CB 4.48Å; R357-E362 HydrophobicContact CG-CB 4.27Å; R357-E362 WeakPolarHBondContact CG-OE2 3.38Å; R357-E362 IonicContact CZ-OE1 3.76Å; R357-E362 IonicContact NE-OE1 3.26Å; R357-E362 PolarHBondContact NE-OE1 2.92Å; R357-E362 IonicContact NE-OE2 3.72Å; R357-E362 IonicContact NH2-OE1 3.77Å; R357-E362 PolarHBondContact O-N 3.39Å; R357-E362 VanDerWaalsContact O-N 3.17Å; R357-Y375 HydrophobicContact CB-CD1 4.16Å; R357-Y375 VanDerWaalsContact O-CD1 3.24Å; R357-Y375 WeakPolarHBondContact O-CD1 3.48Å; R357-Y375 WeakPolarHBondContact O-CE1 3.32Å
358	M	60.3	Low	66.5	Low	112 Å²	112	80.2 Å²	80.2	55%	0.552	40%	0.398	S	S	*	.	H	α-helix	trans	-67.9	-34.3	176.3	-78.6	174.6	56.5	0	0	112	T354 H355 I356 Y375	T354-M358 WeakPolarHBondContact O-CB 3.42Å; T354-M358 VanDerWaalsContact O-CG 3.24Å; T354-M358 WeakPolarHBondContact O-CG 3.38Å; T354-M358 PolarHBondContact O-N 3.1Å; H355-M358 WeakPolarHBondContact O-CB 3.28Å; H355-M358 PolarHBondContact O-N 3.15Å; I356-M358 VanDerWaalsContact C-N 3.29Å; I356-M358 PolarHBondContact O-N 3.41Å; M358-Y375 HydrophobicContact CB-CD1 4.46Å; M358-Y375 HydrophobicContact CG-CD1 3.85Å; M358-Y375 HydrophobicContact CG-CD2 3.84Å; M358-Y375 HydrophobicContact CG-CE1 4.26Å; M358-Y375 HydrophobicContact CG-CE2 4.25Å; M358-Y375 HydrophobicContact CG-CG 3.62Å
359	N	61.1	Low	66.9	Low	74 Å²	74	81.1 Å²	81.1	40%	0.396	41%	0.408	S	S	.	.	H	α-helix	trans	-82.3	-39.6	179.6	-58.1	-8.4	0	0	0	112.4	Y342 H355 I356 R357 G361	Y342-N359 WeakPolarHBondContact CD2-ND2 3.4Å; Y342-N359 HydrophobicContact CE2-CB 4.11Å; H355-N359 PolarHBondContact CD2-ND2 3.46Å; H355-N359 PolarHBondContact NE2-ND2 2.85Å; H355-N359 VanDerWaalsContact O-CG 3.32Å; H355-N359 PolarHBondContact O-N 2.83Å; H355-N359 PolarHBondContact O-OD1 3.28Å; I356-N359 PolarHBondContact O-N 3.26Å; I356-N359 VanDerWaalsContact O-N 3.1Å; R357-N359 VanDerWaalsContact C-N 3.32Å; N359-G361 PolarHBondContact O-N 3.25Å
360	S	65.3	Low	67.6	Low	76 Å²	76	79.7 Å²	79.7	53%	0.531	40%	0.404	S	S	.	.	S	Bend	trans	-73.9	-8.5	174.4	68.5	0	0	0	0	113.8	I356 R357 E362	I356-S360 PolarHBondContact O-N 2.87Å; I356-S360 PolarHBondContact O-OG 3.24Å; R357-S360 WeakPolarHBondContact CA-OG 3.42Å; R357-S360 PolarHBondContact O-OG 3.35Å; S360-E362 PolarHBondContact O-N 3.4Å; S360-E362 WeakPolarHBondContact OG-CB 3.46Å; S360-E362 PolarHBondContact OG-N 3.11Å
361	G	64.8	Low	68.2	Low	39 Å²	39	76.5 Å²	76.5	40%	0.402	40%	0.403	S	S	.	.			trans	74.7	-5.6	-175.1	0	0	0	0	0	114.9	R357 N359 R363	R357-G361 CarbonylContact O-C 3.5Å; R357-G361 PolarHBondContact O-N 2.85Å; R357-G361 VanDerWaalsContact O-N 3.15Å; N359-G361 PolarHBondContact O-N 3.25Å; G361-R363 PolarHBondContact O-N 3.19Å
362	E	67.9	Low	68.6	Low	89 Å²	89	80.1 Å²	80.1	42%	0.416	41%	0.412	S	S	.	.			trans	-58	123.2	-176.4	-172.3	-154.3	138.1	0	0	112.1	R357 S360 P364 Y375	R357-E362 HydrophobicContact CB-CB 4.48Å; R357-E362 HydrophobicContact CG-CB 4.27Å; R357-E362 WeakPolarHBondContact CG-OE2 3.38Å; R357-E362 IonicContact CZ-OE1 3.76Å; R357-E362 IonicContact NE-OE1 3.26Å; R357-E362 PolarHBondContact NE-OE1 2.92Å; R357-E362 IonicContact NE-OE2 3.72Å; R357-E362 IonicContact NH2-OE1 3.77Å; R357-E362 PolarHBondContact O-N 3.39Å; R357-E362 VanDerWaalsContact O-N 3.17Å; S360-E362 PolarHBondContact O-N 3.4Å; S360-E362 WeakPolarHBondContact OG-CB 3.46Å; S360-E362 PolarHBondContact OG-N 3.11Å; E362-P364 HydrophobicContact CG-CG 4.15Å; E362-P364 WeakPolarHBondContact O-CD 3.24Å; E362-P364 WeakPolarHBondContact OE1-CG 3.48Å; E362-Y375 WeakPolarHBondContact O-CD1 3.48Å
363	R	74.8	Confident	69.2	Low	115 Å²	115	78.8 Å²	78.8	43%	0.434	41%	0.41	S	S	.	.			trans	-124.8	80.5	-179.3	-73.4	166.2	-178.9	-129.3	11.9	111.3	G361 Y365 G373 Y375	G361-R363 PolarHBondContact O-N 3.19Å; R363-Y365 VanDerWaalsContact C-N 3.28Å; R363-Y365 PolarHBondContact O-N 3.28Å; R363-G373 WeakPolarHBondContact CD-O 3.45Å; R363-G373 PolarHBondContact NH1-O 3.32Å; R363-Y375 HydrophobicContact CG-CD1 3.95Å; R363-Y375 HydrophobicContact CG-CE1 3.67Å; R363-Y375 HydrophobicContact CG-CE2 4.37Å; R363-Y375 HydrophobicContact CG-CG 4.44Å; R363-Y375 VanDerWaalsContact NE-CZ 3.26Å; R363-Y375 PolarHBondContact NE-OH 3.24Å; R363-Y375 PolarHBondContact NH2-OH 3.47Å
364	P	72.6	Confident	69.9	Low	60 Å²	60	76.8 Å²	76.8	39%	0.39	40%	0.4	S	S	.	.			trans	-61.2	-35.9	-177.1	-26.9	37.6	0	0	0	113.5	E362 K366	E362-P364 HydrophobicContact CG-CG 4.15Å; E362-P364 WeakPolarHBondContact O-CD 3.24Å; E362-P364 WeakPolarHBondContact OE1-CG 3.48Å; P364-K366 PolarHBondContact O-N 3.06Å
365	Y	75.4	Confident	70.2	Confident	79 Å²	79	77.7 Å²	77.7	31%	0.31	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	86.3	-171.4	-51.8	-77.8	0	0	0	109.9	R363 G373 F374 A377 F380	R363-Y365 VanDerWaalsContact C-N 3.28Å; R363-Y365 PolarHBondContact O-N 3.28Å; Y365-G373 CarbonylContact O-C 3.49Å; Y365-G373 WeakPolarHBondContact O-CA 3.27Å; Y365-F374 WeakPolarHBondContact CD2-O 3.13Å; Y365-F374 PolarHBondContact N-O 3.13Å; Y365-F374 PolarHBondContact O-N 2.82Å; Y365-A377 HydrophobicContact CD1-CB 4.14Å; Y365-A377 HydrophobicContact CE1-CB 3.71Å; Y365-A377 HydrophobicContact CE2-CB 4.28Å; Y365-A377 VanDerWaalsContact CE2-N 3.28Å; Y365-F380 HydrophobicContact CG-CB 4.32Å
366	K	74.6	Confident	70.5	Confident	149 Å²	149	77.9 Å²	77.9	65%	0.648	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	130.1	-179.3	-63.5	179.7	-177	174.5	0	111.9	P364 K368 F380	P364-K366 PolarHBondContact O-N 3.06Å; K366-K368 PolarHBondContact O-N 2.92Å; K366-F380 WeakPolarHBondContact O-CE2 3.45Å
367	C	76.3	Confident	70.8	Confident	5 Å²	5	76.2 Å²	76.2	3%	0.034	40%	0.4	C	S	.	.			trans	-78.9	114.2	177.2	-174.4	0	0	0	0	111.6	I369 C370 G371 K372 F380 H387	C367-I369 PolarHBondContact O-N 3.09Å; C367-C370 PolarHBondContact O-N 2.83Å; C367-G371 WeakPolarHBondContact O-CA 3.37Å; C367-G371 PolarHBondContact O-N 3.27Å; C367-K372 WeakPolarHBondContact CB-O 3.29Å; C367-K372 PolarHBondContact N-O 3.4Å; C367-F380 HydrophobicContact CB-CE2 4.12Å; C367-H387 VanDerWaalsContact SG-CD2 3.58Å; C367-H387 PolarHBondContact SG-NE2 3.34Å
368	K	73.1	Confident	70.8	Confident	214 Å²	214	81.2 Å²	81.2	93%	0.93	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.3	177.4	-62.8	-171	177.4	-172.1	0	113.5	K366	K366-K368 PolarHBondContact O-N 2.92Å
369	I	69.6	Low	71.3	Confident	120 Å²	120	78.3 Å²	78.3	62%	0.615	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-26.6	-175.1	-59.2	172.1	0	0	0	112.8	C367 H387	C367-I369 PolarHBondContact O-N 3.09Å; I369-H387 HydrophobicContact CD1-CB 3.64Å; I369-H387 HydrophobicContact CG2-CB 4.26Å
370	C	69.9	Low	72	Confident	50 Å²	50	76.3 Å²	76.3	34%	0.338	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.8	21.5	-175.3	78.3	0	0	0	0	115.5	C367 K372 H383 H387	C367-C370 PolarHBondContact O-N 2.83Å; C370-K372 PolarHBondContact O-N 3.33Å; C370-H383 PolarHBondContact SG-NE2 3.23Å; C370-H387 VanDerWaalsContact SG-CE1 3.52Å
371	G	71.3	Confident	72.3	Confident	62 Å²	62	78 Å²	78	64%	0.639	40%	0.401	S	S	*	.			trans	66.8	-13.5	176.3	0	0	0	0	0	116.9	C367 G373	C367-G371 WeakPolarHBondContact O-CA 3.37Å; C367-G371 PolarHBondContact O-N 3.27Å; G371-G373 PolarHBondContact O-N 3.46Å; G371-G373 VanDerWaalsContact O-N 3.16Å
372	K	69.5	Low	72.4	Confident	125 Å²	125	78.8 Å²	78.8	54%	0.543	40%	0.398	S	S	.	.			trans	-64.5	117.1	-171.9	-72.4	174.1	-172.6	163.9	0	111.4	C367 C370 F374	C367-K372 WeakPolarHBondContact CB-O 3.29Å; C367-K372 PolarHBondContact N-O 3.4Å; C370-K372 PolarHBondContact O-N 3.33Å; K372-F374 HydrophobicContact CB-CE2 3.71Å; K372-F374 HydrophobicContact CB-CZ 4.13Å; K372-F374 VanDerWaalsContact O-CD2 3.28Å; K372-F374 WeakPolarHBondContact O-CD2 3.2Å; K372-F374 WeakPolarHBondContact O-CE2 3.43Å
373	G	74.3	Confident	72.6	Confident	10 Å²	10	75.6 Å²	75.6	10%	0.103	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	142.3	173.3	0	0	0	0	0	113.2	R363 Y365 G371	R363-G373 WeakPolarHBondContact CD-O 3.45Å; R363-G373 PolarHBondContact NH1-O 3.32Å; Y365-G373 CarbonylContact O-C 3.49Å; Y365-G373 WeakPolarHBondContact O-CA 3.27Å; G371-G373 PolarHBondContact O-N 3.46Å; G371-G373 VanDerWaalsContact O-N 3.16Å
374	F	78.7	Confident	72.3	Confident	44 Å²	44	73.9 Å²	73.9	19%	0.193	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.8	-178.7	-64.6	-97.4	0	0	0	111.9	Y365 K372 F380 H383	Y365-F374 WeakPolarHBondContact CD2-O 3.13Å; Y365-F374 PolarHBondContact N-O 3.13Å; Y365-F374 PolarHBondContact O-N 2.82Å; K372-F374 HydrophobicContact CB-CE2 3.71Å; K372-F374 HydrophobicContact CB-CZ 4.13Å; K372-F374 VanDerWaalsContact O-CD2 3.28Å; K372-F374 WeakPolarHBondContact O-CD2 3.2Å; K372-F374 WeakPolarHBondContact O-CE2 3.43Å; F374-F380 HydrophobicContact CB-CB 4.19Å; F374-F380 AromaticContact CD2-CD2 3.96Å; F374-F380 HydrophobicContact CD2-CD2 3.96Å; F374-F380 HydrophobicContact CG-CB 4.42Å; F374-H383 HydrophobicContact CE1-CB 3.9Å; F374-H383 HydrophobicContact CE2-CB 3.99Å; F374-H383 AromaticContact CE2-CD2 3.15Å; F374-H383 WeakPolarHBondContact CE2-CD2 3.32Å; F374-H383 AromaticContact CE2-CG 3.67Å; F374-H383 AromaticContact CE2-NE2 3.91Å; F374-H383 HydrophobicContact CZ-CB 3.49Å; F374-H383 VanDerWaalsContact CZ-CB 3.49Å; F374-H383 AromaticContact CZ-CD2 3.27Å; F374-H383 WeakPolarHBondContact CZ-CD2 3.19Å; F374-H383 AromaticContact CZ-CG 3.28Å; F374-H383 AromaticContact CZ-NE2 3.99Å
375	Y	69.4	Low	72.3	Confident	56 Å²	56	75.2 Å²	75.2	22%	0.22	38%	0.38	C	S	.	.	S	Bend	trans	-79.8	-16.9	-179.1	-54.9	-79.4	0	0	0	114.1	R357 M358 E362 R363	R357-Y375 HydrophobicContact CB-CD1 4.16Å; R357-Y375 VanDerWaalsContact O-CD1 3.24Å; R357-Y375 WeakPolarHBondContact O-CD1 3.48Å; R357-Y375 WeakPolarHBondContact O-CE1 3.32Å; M358-Y375 HydrophobicContact CB-CD1 4.46Å; M358-Y375 HydrophobicContact CG-CD1 3.85Å; M358-Y375 HydrophobicContact CG-CD2 3.84Å; M358-Y375 HydrophobicContact CG-CE1 4.26Å; M358-Y375 HydrophobicContact CG-CE2 4.25Å; M358-Y375 HydrophobicContact CG-CG 3.62Å; E362-Y375 WeakPolarHBondContact O-CD1 3.48Å; R363-Y375 HydrophobicContact CG-CD1 3.95Å; R363-Y375 HydrophobicContact CG-CE1 3.67Å; R363-Y375 HydrophobicContact CG-CE2 4.37Å; R363-Y375 HydrophobicContact CG-CG 4.44Å; R363-Y375 VanDerWaalsContact NE-CZ 3.26Å; R363-Y375 PolarHBondContact NE-OH 3.24Å; R363-Y375 PolarHBondContact NH2-OH 3.47Å
376	S	73.8	Confident	71.8	Confident	25 Å²	25	75 Å²	75	18%	0.175	39%	0.387	C	S	.	.	S	Bend	trans	-141.2	144.6	179.5	94.3	0	0	0	0	112.9	K378 S379 F380	S376-K378 PolarHBondContact O-N 3.2Å; S376-K378 PolarHBondContact OG-N 2.8Å; S376-S379 PolarHBondContact O-N 3.15Å; S376-S379 PolarHBondContact OG-N 3.11Å; S376-S379 VanDerWaalsContact OG-N 3.11Å; S376-S379 PolarHBondContact OG-OG 3.43Å; S376-F380 PolarHBondContact O-N 2.74Å
377	A	72.5	Confident	71.3	Confident	36 Å²	36	70.9 Å²	70.9	30%	0.298	37%	0.37	S	S	.	.	H	α-helix	trans	-58.3	-33.5	175.9	0	0	0	0	0	112.7	Y365 F380 Q381	Y365-A377 HydrophobicContact CD1-CB 4.14Å; Y365-A377 HydrophobicContact CE1-CB 3.71Å; Y365-A377 HydrophobicContact CE2-CB 4.28Å; Y365-A377 VanDerWaalsContact CE2-N 3.28Å; A377-F380 WeakPolarHBondContact O-CB 3.48Å; A377-F380 PolarHBondContact O-N 3.17Å; A377-Q381 WeakPolarHBondContact O-CB 3.5Å; A377-Q381 VanDerWaalsContact O-CG 3.3Å; A377-Q381 WeakPolarHBondContact O-CG 3.27Å; A377-Q381 PolarHBondContact O-N 3Å
378	K	72.3	Confident	70.7	Confident	165 Å²	165	75 Å²	75	72%	0.717	40%	0.395	S	S	*	.	H	α-helix	trans	-68.3	-42.7	178.1	-172.4	175.9	-179	178.4	0	111.6	S376 F380 T382	S376-K378 PolarHBondContact O-N 3.2Å; S376-K378 PolarHBondContact OG-N 2.8Å; K378-F380 VanDerWaalsContact C-N 3.32Å; K378-T382 PolarHBondContact O-N 3.44Å; K378-T382 VanDerWaalsContact O-N 3.14Å; K378-T382 PolarHBondContact O-OG1 3.1Å
379	S	70.9	Confident	70.2	Confident	52 Å²	52	67 Å²	67	36%	0.364	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-41.3	174.9	-51.8	0	0	0	0	111.1	S376 T382 H383	S376-S379 PolarHBondContact O-N 3.15Å; S376-S379 PolarHBondContact OG-N 3.11Å; S376-S379 VanDerWaalsContact OG-N 3.11Å; S376-S379 PolarHBondContact OG-OG 3.43Å; S379-T382 WeakPolarHBondContact CA-OG1 3.21Å; S379-T382 PolarHBondContact O-N 2.99Å; S379-T382 PolarHBondContact O-OG1 3.04Å; S379-H383 PolarHBondContact O-N 2.91Å; S379-H383 VanDerWaalsContact O-N 3.15Å
380	F	74.8	Confident	69.7	Low	32 Å²	32	65 Å²	65	14%	0.14	36%	0.361	C	S	.	.	H	α-helix	trans	-60.5	-53.4	175.8	179.2	-109.5	0	0	0	112.4	Y365 K366 C367 F374 S376 A377 K378 T382 H383 E384	Y365-F380 HydrophobicContact CG-CB 4.32Å; K366-F380 WeakPolarHBondContact O-CE2 3.45Å; C367-F380 HydrophobicContact CB-CE2 4.12Å; F374-F380 HydrophobicContact CB-CB 4.19Å; F374-F380 AromaticContact CD2-CD2 3.96Å; F374-F380 HydrophobicContact CD2-CD2 3.96Å; F374-F380 HydrophobicContact CG-CB 4.42Å; S376-F380 PolarHBondContact O-N 2.74Å; A377-F380 WeakPolarHBondContact O-CB 3.48Å; A377-F380 PolarHBondContact O-N 3.17Å; K378-F380 VanDerWaalsContact C-N 3.32Å; F380-T382 PolarHBondContact O-N 2.91Å; F380-H383 CarbonylContact O-C 3.56Å; F380-H383 WeakPolarHBondContact O-CA 3.44Å; F380-H383 WeakPolarHBondContact O-CB 3.45Å; F380-H383 PolarHBondContact O-N 2.94Å; F380-E384 HydrophobicContact CD1-CG 4.35Å; F380-E384 HydrophobicContact CE1-CG 3.97Å; F380-E384 WeakPolarHBondContact CE1-OE1 3.35Å; F380-E384 VanDerWaalsContact CE1-OE2 3.29Å; F380-E384 WeakPolarHBondContact CE1-OE2 3.43Å; F380-E384 HydrophobicContact CE2-CG 4.15Å; F380-E384 VanDerWaalsContact CZ-CD 3.44Å; F380-E384 HydrophobicContact CZ-CG 3.86Å; F380-E384 WeakPolarHBondContact CZ-OE1 3.39Å; F380-E384 PolarHBondContact O-N 2.75Å
381	Q	71.6	Confident	69.6	Low	110 Å²	110	68.6 Å²	68.6	51%	0.514	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-27	177.6	-73	174	-5	0	0	113.8	A377 H383 K385	A377-Q381 WeakPolarHBondContact O-CB 3.5Å; A377-Q381 VanDerWaalsContact O-CG 3.3Å; A377-Q381 WeakPolarHBondContact O-CG 3.27Å; A377-Q381 PolarHBondContact O-N 3Å; Q381-H383 VanDerWaalsContact C-N 3.35Å; Q381-K385 WeakPolarHBondContact O-CD 3.34Å; Q381-K385 WeakPolarHBondContact O-CG 3.28Å
382	T	66.9	Low	69.5	Low	56 Å²	56	73.3 Å²	73.3	34%	0.344	37%	0.37	S	S	.	.	H	α-helix	trans	-76.5	-21.9	170.3	52.1	0	0	0	0	113.5	K378 S379 F380 L404	K378-T382 PolarHBondContact O-N 3.44Å; K378-T382 VanDerWaalsContact O-N 3.14Å; K378-T382 PolarHBondContact O-OG1 3.1Å; S379-T382 WeakPolarHBondContact CA-OG1 3.21Å; S379-T382 PolarHBondContact O-N 2.99Å; S379-T382 PolarHBondContact O-OG1 3.04Å; F380-T382 PolarHBondContact O-N 2.91Å; T382-L404 HydrophobicContact CG2-CD2 3.96Å
383	H	72.6	Confident	69.6	Low	22 Å²	22	71.8 Å²	71.8	10%	0.102	36%	0.361	C	S	.	.	H	α-helix	trans	-87.3	-37	175.7	172.3	52.2	0	0	0	113	C370 F374 S379 F380 Q381 K385 T386 H387	C370-H383 PolarHBondContact SG-NE2 3.23Å; F374-H383 HydrophobicContact CE1-CB 3.9Å; F374-H383 HydrophobicContact CE2-CB 3.99Å; F374-H383 AromaticContact CE2-CD2 3.15Å; F374-H383 WeakPolarHBondContact CE2-CD2 3.32Å; F374-H383 AromaticContact CE2-CG 3.67Å; F374-H383 AromaticContact CE2-NE2 3.91Å; F374-H383 HydrophobicContact CZ-CB 3.49Å; F374-H383 VanDerWaalsContact CZ-CB 3.49Å; F374-H383 AromaticContact CZ-CD2 3.27Å; F374-H383 WeakPolarHBondContact CZ-CD2 3.19Å; F374-H383 AromaticContact CZ-CG 3.28Å; F374-H383 AromaticContact CZ-NE2 3.99Å; S379-H383 PolarHBondContact O-N 2.91Å; S379-H383 VanDerWaalsContact O-N 3.15Å; F380-H383 CarbonylContact O-C 3.56Å; F380-H383 WeakPolarHBondContact O-CA 3.44Å; F380-H383 WeakPolarHBondContact O-CB 3.45Å; F380-H383 PolarHBondContact O-N 2.94Å; Q381-H383 VanDerWaalsContact C-N 3.35Å; H383-K385 PolarHBondContact O-N 2.97Å; H383-K385 VanDerWaalsContact O-N 3.17Å; H383-T386 PolarHBondContact CE1-OG1 3.36Å; H383-T386 PolarHBondContact ND1-OG1 3.1Å; H383-T386 VanDerWaalsContact ND1-OG1 3.09Å; H383-T386 WeakPolarHBondContact O-CB 3.41Å; H383-T386 PolarHBondContact O-N 2.83Å; H383-T386 PolarHBondContact O-OG1 3.48Å; H383-H387 AromaticContact CD2-NE2 3.93Å; H383-H387 AromaticContact CE1-CE1 3.62Å; H383-H387 AromaticContact CE1-NE2 3.17Å; H383-H387 PolarHBondContact CE1-NE2 3.45Å; H383-H387 AromaticContact NE2-CE1 3.85Å; H383-H387 AromaticContact NE2-NE2 3.06Å; H383-H387 PolarHBondContact NE2-NE2 2.82Å
384	E	68.3	Low	69.6	Low	80 Å²	80	79 Å²	79	37%	0.374	39%	0.39	S	S	.	.	H	α-helix	trans	-56	-36.4	175	-68.1	177.8	116.8	0	0	111.4	F380 T386 H387 T388	F380-E384 HydrophobicContact CD1-CG 4.35Å; F380-E384 HydrophobicContact CE1-CG 3.97Å; F380-E384 WeakPolarHBondContact CE1-OE1 3.35Å; F380-E384 VanDerWaalsContact CE1-OE2 3.29Å; F380-E384 WeakPolarHBondContact CE1-OE2 3.43Å; F380-E384 HydrophobicContact CE2-CG 4.15Å; F380-E384 VanDerWaalsContact CZ-CD 3.44Å; F380-E384 HydrophobicContact CZ-CG 3.86Å; F380-E384 WeakPolarHBondContact CZ-OE1 3.39Å; F380-E384 PolarHBondContact O-N 2.75Å; E384-T386 PolarHBondContact O-N 2.93Å; E384-H387 PolarHBondContact O-N 3.26Å; E384-T388 PolarHBondContact O-N 3.11Å
385	K	72	Confident	69.7	Low	88 Å²	88	77.1 Å²	77.1	38%	0.383	38%	0.382	S	S	.	.	H	α-helix	trans	-68.1	3.1	172.3	-63.3	172.5	-173	177	0	115	Q381 H383	Q381-K385 WeakPolarHBondContact O-CD 3.34Å; Q381-K385 WeakPolarHBondContact O-CG 3.28Å; H383-K385 PolarHBondContact O-N 2.97Å; H383-K385 VanDerWaalsContact O-N 3.17Å
386	T	64.9	Low	69.9	Low	73 Å²	73	84.7 Å²	84.7	45%	0.448	42%	0.416	S	S	.	.	H	α-helix	trans	-88.4	-25.9	163.3	64.5	0	0	0	0	112.6	H383 E384 N403	H383-T386 PolarHBondContact CE1-OG1 3.36Å; H383-T386 PolarHBondContact ND1-OG1 3.1Å; H383-T386 VanDerWaalsContact ND1-OG1 3.09Å; H383-T386 WeakPolarHBondContact O-CB 3.41Å; H383-T386 PolarHBondContact O-N 2.83Å; H383-T386 PolarHBondContact O-OG1 3.48Å; E384-T386 PolarHBondContact O-N 2.93Å; T386-N403 WeakPolarHBondContact CG2-ND2 3.46Å
387	H	65.4	Low	69.8	Low	63 Å²	63	90.2 Å²	90.2	29%	0.292	44%	0.439	S	S	.	.	H	α-helix	trans	-87.4	-38	-178.9	-56.5	-57.1	0	0	0	112.2	C367 I369 C370 H383 E384 G389	C367-H387 VanDerWaalsContact SG-CD2 3.58Å; C367-H387 PolarHBondContact SG-NE2 3.34Å; I369-H387 HydrophobicContact CD1-CB 3.64Å; I369-H387 HydrophobicContact CG2-CB 4.26Å; C370-H387 VanDerWaalsContact SG-CE1 3.52Å; H383-H387 AromaticContact CD2-NE2 3.93Å; H383-H387 AromaticContact CE1-CE1 3.62Å; H383-H387 AromaticContact CE1-NE2 3.17Å; H383-H387 PolarHBondContact CE1-NE2 3.45Å; H383-H387 AromaticContact NE2-CE1 3.85Å; H383-H387 AromaticContact NE2-NE2 3.06Å; H383-H387 PolarHBondContact NE2-NE2 2.82Å; E384-H387 PolarHBondContact O-N 3.26Å; H387-G389 PolarHBondContact O-N 2.88Å; H387-G389 VanDerWaalsContact O-N 3.09Å
388	T	63.3	Low	69.9	Low	92 Å²	92	91 Å²	91	56%	0.564	44%	0.442	S	S	*	.	S	Bend	trans	-69.9	-1.8	176.6	63.2	0	0	0	0	114.2	E384 E390	E384-T388 PolarHBondContact O-N 3.11Å; T388-E390 PolarHBondContact O-N 3.23Å
389	G	61.7	Low	69.9	Low	46 Å²	46	86 Å²	86	47%	0.474	44%	0.438	S	S	.	.			trans	67.2	0.4	178.9	0	0	0	0	0	116	H387 K391	H387-G389 PolarHBondContact O-N 2.88Å; H387-G389 VanDerWaalsContact O-N 3.09Å; G389-K391 VanDerWaalsContact C-N 3.34Å; G389-K391 WeakPolarHBondContact O-CG 3.48Å; G389-K391 PolarHBondContact O-N 3.47Å
390	E	60.8	Low	70	Confident	77 Å²	77	89.7 Å²	89.7	36%	0.36	45%	0.447	S	S	.	.			trans	-63.1	81.4	-174.1	-77.2	-163.8	155.5	0	0	114	T388 R392	T388-E390 PolarHBondContact O-N 3.23Å; E390-R392 HydrophobicContact CB-CG 4.31Å; E390-R392 PolarHBondContact O-N 2.88Å; E390-R392 IonicContact OE1-CZ 3.24Å; E390-R392 IonicContact OE1-NE 2.74Å; E390-R392 IonicContact OE1-NH2 3.81Å; E390-R392 PolarHBondContact OE1-NH2 2.88Å; E390-R392 IonicContact OE2-CZ 2.86Å; E390-R392 IonicContact OE2-NE 3.75Å; E390-R392 PolarHBondContact OE2-NE 3.06Å; E390-R392 IonicContact OE2-NH2 2.75Å; E390-R392 PolarHBondContact OE2-NH2 2.96Å
391	K	66.8	Low	70	Confident	127 Å²	127	89.5 Å²	89.5	55%	0.552	45%	0.452	S	S	*	.			trans	-83.6	66.5	174.9	-67.3	163	-174	167.6	0	110.7	G389 Y393 A401 F402	G389-K391 VanDerWaalsContact C-N 3.34Å; G389-K391 WeakPolarHBondContact O-CG 3.48Å; G389-K391 PolarHBondContact O-N 3.47Å; K391-Y393 PolarHBondContact O-N 3Å; K391-Y393 VanDerWaalsContact O-N 3.11Å; K391-A401 HydrophobicContact CB-CB 3.54Å; K391-A401 HydrophobicContact CD-CB 4.09Å; K391-A401 HydrophobicContact CG-CB 4.3Å; K391-F402 CarbonylContact C-O 3.48Å; K391-F402 VanDerWaalsContact CA-O 3.31Å; K391-F402 WeakPolarHBondContact CA-O 3.34Å
392	R	69.3	Low	70.2	Confident	161 Å²	161	86.4 Å²	86.4	61%	0.608	44%	0.437	S	S	*	.			trans	-57.1	-22.6	-174.8	-61.9	-173.2	-178.3	-140.9	-6	114.5	E390 F402	E390-R392 HydrophobicContact CB-CG 4.31Å; E390-R392 PolarHBondContact O-N 2.88Å; E390-R392 IonicContact OE1-CZ 3.24Å; E390-R392 IonicContact OE1-NE 2.74Å; E390-R392 IonicContact OE1-NH2 3.81Å; E390-R392 PolarHBondContact OE1-NH2 2.88Å; E390-R392 IonicContact OE2-CZ 2.86Å; E390-R392 IonicContact OE2-NE 3.75Å; E390-R392 PolarHBondContact OE2-NE 3.06Å; E390-R392 IonicContact OE2-NH2 2.75Å; E390-R392 PolarHBondContact OE2-NH2 2.96Å; R392-F402 PolarHBondContact N-O 2.88Å
393	Y	72.5	Confident	70.4	Confident	93 Å²	93	85.9 Å²	85.9	37%	0.365	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	100.5	-178	-55.4	-85.8	0	0	0	110.7	K391 A401 F402 F408	K391-Y393 PolarHBondContact O-N 3Å; K391-Y393 VanDerWaalsContact O-N 3.11Å; Y393-A401 CarbonylContact O-C 3.09Å; Y393-A401 WeakPolarHBondContact O-CA 3.43Å; Y393-F402 PolarHBondContact N-O 3.26Å; Y393-F402 PolarHBondContact O-N 3.46Å; Y393-F408 HydrophobicContact CD1-CD1 4.35Å; Y393-F408 HydrophobicContact CG-CB 4.26Å; Y393-F408 HydrophobicContact CG-CG 4.41Å
394	K	74.4	Confident	70.3	Confident	160 Å²	160	87.5 Å²	87.5	70%	0.696	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.5	-178	-62.4	-176.3	178.2	179.9	0	111.4	K396 A401	K394-K396 PolarHBondContact O-N 3.25Å; K394-A401 HydrophobicContact CB-CB 4.4Å; K394-A401 HydrophobicContact CG-CB 3.84Å
395	C	79.2	Confident	70.6	Confident	6 Å²	6	86.8 Å²	86.8	4%	0.041	45%	0.445	C	S	.	.			trans	-78.5	112.6	174.4	-176.2	0	0	0	0	111	Q397 C398 G399 K400 F408 H411 H415	C395-Q397 PolarHBondContact O-N 3.3Å; C395-C398 PolarHBondContact O-N 2.85Å; C395-G399 WeakPolarHBondContact O-CA 3.41Å; C395-G399 PolarHBondContact O-N 3.49Å; C395-K400 WeakPolarHBondContact CB-O 3.43Å; C395-K400 PolarHBondContact N-O 3.37Å; C395-F408 HydrophobicContact CB-CE2 3.93Å; C395-H411 PolarHBondContact SG-NE2 3.09Å; C395-H415 PolarHBondContact SG-NE2 2.75Å; C395-H415 VanDerWaalsContact SG-NE2 3.36Å
396	K	74.8	Confident	70.7	Confident	214 Å²	214	86.1 Å²	86.1	93%	0.93	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.8	177.4	-64.5	-172.9	177.7	-174.8	0	113.2	K394	K394-K396 PolarHBondContact O-N 3.25Å
397	Q	71.2	Confident	71.2	Confident	142 Å²	142	84.8 Å²	84.8	66%	0.664	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.1	-174.2	-66.4	178.4	-9.6	0	0	115	C395 H415	C395-Q397 PolarHBondContact O-N 3.3Å; Q397-H415 PolarHBondContact OE1-CD2 3.02Å
398	C	73.8	Confident	71.7	Confident	51 Å²	51	83.3 Å²	83.3	35%	0.345	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.8	16	-180	75	0	0	0	0	115.3	C395 K400 H411 H415	C395-C398 PolarHBondContact O-N 2.85Å; C398-K400 PolarHBondContact O-N 2.91Å; C398-H411 VanDerWaalsContact SG-CE1 3.51Å; C398-H411 PolarHBondContact SG-NE2 3.26Å; C398-H415 VanDerWaalsContact SG-CE1 3.52Å; C398-H415 PolarHBondContact SG-NE2 3.27Å
399	G	72.9	Confident	72.3	Confident	62 Å²	62	86.4 Å²	86.4	64%	0.639	44%	0.439	S	S	*	.			trans	67.7	-16	179.3	0	0	0	0	0	116.4	C395 A401	C395-G399 WeakPolarHBondContact O-CA 3.41Å; C395-G399 PolarHBondContact O-N 3.49Å; G399-A401 PolarHBondContact O-N 2.89Å
400	K	72.9	Confident	73	Confident	128 Å²	128	88.2 Å²	88.2	56%	0.557	43%	0.432	S	S	*	.			trans	-62.7	130.7	-175.4	-70.7	175.4	-176.6	168.1	0	111.3	C395 C398 F402	C395-K400 WeakPolarHBondContact CB-O 3.43Å; C395-K400 PolarHBondContact N-O 3.37Å; C398-K400 PolarHBondContact O-N 2.91Å; K400-F402 HydrophobicContact CB-CE2 3.85Å; K400-F402 HydrophobicContact CB-CZ 4.14Å; K400-F402 WeakPolarHBondContact O-CE2 3.2Å
401	A	74.1	Confident	73.9	Confident	29 Å²	29	85.1 Å²	85.1	24%	0.24	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.9	-170.4	0	0	0	0	0	112	K391 Y393 K394 G399	K391-A401 HydrophobicContact CB-CB 3.54Å; K391-A401 HydrophobicContact CD-CB 4.09Å; K391-A401 HydrophobicContact CG-CB 4.3Å; Y393-A401 CarbonylContact O-C 3.09Å; Y393-A401 WeakPolarHBondContact O-CA 3.43Å; K394-A401 HydrophobicContact CB-CB 4.4Å; K394-A401 HydrophobicContact CG-CB 3.84Å; G399-A401 PolarHBondContact O-N 2.89Å
402	F	76.9	Confident	74.3	Confident	45 Å²	45	82.5 Å²	82.5	20%	0.197	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.5	-166.4	-58.8	-97.4	0	0	0	111.3	K391 R392 Y393 K400 F408 H411	K391-F402 CarbonylContact C-O 3.48Å; K391-F402 VanDerWaalsContact CA-O 3.31Å; K391-F402 WeakPolarHBondContact CA-O 3.34Å; R392-F402 PolarHBondContact N-O 2.88Å; Y393-F402 PolarHBondContact N-O 3.26Å; Y393-F402 PolarHBondContact O-N 3.46Å; K400-F402 HydrophobicContact CB-CE2 3.85Å; K400-F402 HydrophobicContact CB-CZ 4.14Å; K400-F402 WeakPolarHBondContact O-CE2 3.2Å; F402-F408 HydrophobicContact CB-CB 4.17Å; F402-F408 HydrophobicContact CD2-CB 4.4Å; F402-F408 AromaticContact CD2-CD2 3.81Å; F402-F408 HydrophobicContact CD2-CD2 3.81Å; F402-F408 HydrophobicContact CE2-CD2 4.37Å; F402-F408 HydrophobicContact CG-CB 4.37Å; F402-H411 HydrophobicContact CE1-CB 3.97Å; F402-H411 HydrophobicContact CE2-CB 3.9Å; F402-H411 AromaticContact CE2-CD2 3.27Å; F402-H411 WeakPolarHBondContact CE2-CD2 3.31Å; F402-H411 AromaticContact CE2-CG 3.57Å; F402-H411 AromaticContact CE2-NE2 3.94Å; F402-H411 HydrophobicContact CZ-CB 3.46Å; F402-H411 VanDerWaalsContact CZ-CB 3.46Å; F402-H411 AromaticContact CZ-CD2 3.52Å; F402-H411 AromaticContact CZ-CG 3.28Å; F402-H411 AromaticContact CZ-ND1 3.83Å
403	N	70.4	Confident	75	Confident	44 Å²	44	76.2 Å²	76.2	24%	0.235	38%	0.384	C	S	.	.	S	Bend	trans	-84.2	-19	177	65	-26.8	0	0	0	113.6	T386	T386-N403 WeakPolarHBondContact CG2-ND2 3.46Å
404	L	71.7	Confident	75.2	Confident	57 Å²	57	75.8 Å²	75.8	30%	0.298	39%	0.387	S	S	.	.			trans	-125.6	132.2	-175.5	-67.7	170.9	0	0	0	111.3	T382 S406 S407 F408	T382-L404 HydrophobicContact CG2-CD2 3.96Å; L404-S406 VanDerWaalsContact C-N 3.26Å; L404-S406 PolarHBondContact O-N 3.48Å; L404-S407 PolarHBondContact O-N 2.95Å; L404-F408 PolarHBondContact O-N 3.02Å
405	S	73.3	Confident	75.3	Confident	65 Å²	65	71.6 Å²	71.6	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-31.6	176.5	51.4	0	0	0	0	113.1	F408 R409	S405-F408 PolarHBondContact O-N 3.47Å; S405-R409 WeakPolarHBondContact O-CB 3.38Å; S405-R409 PolarHBondContact O-N 3.2Å
406	S	74.1	Confident	75.1	Confident	74 Å²	74	75.1 Å²	75.1	52%	0.517	39%	0.391	S	S	.	.	H	α-helix	trans	-66	-43.1	174.3	50	0	0	0	0	112.5	L404 Y410	L404-S406 VanDerWaalsContact C-N 3.26Å; L404-S406 PolarHBondContact O-N 3.48Å; S406-Y410 WeakPolarHBondContact O-CB 3.42Å; S406-Y410 PolarHBondContact O-N 2.98Å; S406-Y410 VanDerWaalsContact O-N 3.09Å
407	S	74.9	Confident	75.1	Confident	45 Å²	45	66.6 Å²	66.6	32%	0.315	36%	0.364	S	S	.	.	H	α-helix	trans	-67.5	-39.5	174.8	-57.3	0	0	0	0	111.7	L404 Y410 H411	L404-S407 PolarHBondContact O-N 2.95Å; S407-Y410 PolarHBondContact O-N 2.88Å; S407-H411 WeakPolarHBondContact O-CB 3.35Å; S407-H411 PolarHBondContact O-N 3.01Å
408	F	77.1	Confident	75.3	Confident	31 Å²	31	64 Å²	64	14%	0.136	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-53.8	174.8	178.7	-115.9	0	0	0	111.9	Y393 C395 F402 L404 S405 Y410 H411 E412	Y393-F408 HydrophobicContact CD1-CD1 4.35Å; Y393-F408 HydrophobicContact CG-CB 4.26Å; Y393-F408 HydrophobicContact CG-CG 4.41Å; C395-F408 HydrophobicContact CB-CE2 3.93Å; F402-F408 HydrophobicContact CB-CB 4.17Å; F402-F408 HydrophobicContact CD2-CB 4.4Å; F402-F408 AromaticContact CD2-CD2 3.81Å; F402-F408 HydrophobicContact CD2-CD2 3.81Å; F402-F408 HydrophobicContact CE2-CD2 4.37Å; F402-F408 HydrophobicContact CG-CB 4.37Å; L404-F408 PolarHBondContact O-N 3.02Å; S405-F408 PolarHBondContact O-N 3.47Å; F408-Y410 VanDerWaalsContact C-N 3.27Å; F408-Y410 PolarHBondContact O-N 3.09Å; F408-H411 CarbonylContact O-C 3.58Å; F408-H411 WeakPolarHBondContact O-CA 3.16Å; F408-H411 VanDerWaalsContact O-CB 3.31Å; F408-H411 WeakPolarHBondContact O-CB 3.14Å; F408-H411 PolarHBondContact O-N 2.94Å; F408-E412 HydrophobicContact CD1-CG 4.49Å; F408-E412 HydrophobicContact CD2-CG 4.49Å; F408-E412 HydrophobicContact CE1-CG 4.1Å; F408-E412 WeakPolarHBondContact CE1-OE1 3.35Å; F408-E412 WeakPolarHBondContact CE1-OE2 3.31Å; F408-E412 HydrophobicContact CE2-CG 4.09Å; F408-E412 VanDerWaalsContact CZ-CD 3.44Å; F408-E412 HydrophobicContact CZ-CG 3.88Å; F408-E412 WeakPolarHBondContact CZ-OE1 3.5Å; F408-E412 PolarHBondContact O-N 2.98Å
409	R	74.8	Confident	75.8	Confident	157 Å²	157	66.9 Å²	66.9	59%	0.592	36%	0.358	S	S	*	.	H	α-helix	trans	-61.8	-32.3	178.3	-169	177.3	66.2	148.4	-1	113.2	S405 H411 E412	S405-R409 WeakPolarHBondContact O-CB 3.38Å; S405-R409 PolarHBondContact O-N 3.2Å; R409-H411 VanDerWaalsContact C-N 3.34Å; R409-E412 WeakPolarHBondContact CA-OE2 3.31Å
410	Y	77.1	Confident	76.2	Confident	84 Å²	84	67.2 Å²	67.2	33%	0.329	35%	0.349	S	S	.	.	H	α-helix	trans	-69.2	-32.4	171.2	172	-97.9	0	0	0	112.6	S406 S407 F408 R431 Q435	S406-Y410 WeakPolarHBondContact O-CB 3.42Å; S406-Y410 PolarHBondContact O-N 2.98Å; S406-Y410 VanDerWaalsContact O-N 3.09Å; S407-Y410 PolarHBondContact O-N 2.88Å; F408-Y410 VanDerWaalsContact C-N 3.27Å; F408-Y410 PolarHBondContact O-N 3.09Å; Y410-R431 HydrophobicContact CD2-CB 4.49Å; Y410-R431 HydrophobicContact CE2-CB 3.77Å; Y410-Q435 PolarHBondContact OH-NE2 2.76Å
411	H	79	Confident	76.6	Confident	12 Å²	12	65 Å²	65	6%	0.056	34%	0.338	C	S	.	.	H	α-helix	trans	-72.9	-37.6	174.4	167.1	65.4	0	0	0	112.9	C395 C398 F402 S407 F408 R409 R413 I414 H415	C395-H411 PolarHBondContact SG-NE2 3.09Å; C398-H411 VanDerWaalsContact SG-CE1 3.51Å; C398-H411 PolarHBondContact SG-NE2 3.26Å; F402-H411 HydrophobicContact CE1-CB 3.97Å; F402-H411 HydrophobicContact CE2-CB 3.9Å; F402-H411 AromaticContact CE2-CD2 3.27Å; F402-H411 WeakPolarHBondContact CE2-CD2 3.31Å; F402-H411 AromaticContact CE2-CG 3.57Å; F402-H411 AromaticContact CE2-NE2 3.94Å; F402-H411 HydrophobicContact CZ-CB 3.46Å; F402-H411 VanDerWaalsContact CZ-CB 3.46Å; F402-H411 AromaticContact CZ-CD2 3.52Å; F402-H411 AromaticContact CZ-CG 3.28Å; F402-H411 AromaticContact CZ-ND1 3.83Å; S407-H411 WeakPolarHBondContact O-CB 3.35Å; S407-H411 PolarHBondContact O-N 3.01Å; F408-H411 CarbonylContact O-C 3.58Å; F408-H411 WeakPolarHBondContact O-CA 3.16Å; F408-H411 VanDerWaalsContact O-CB 3.31Å; F408-H411 WeakPolarHBondContact O-CB 3.14Å; F408-H411 PolarHBondContact O-N 2.94Å; R409-H411 VanDerWaalsContact C-N 3.34Å; H411-R413 PolarHBondContact O-N 3.06Å; H411-I414 WeakPolarHBondContact O-CB 3.42Å; H411-I414 WeakPolarHBondContact O-CG1 3.39Å; H411-I414 PolarHBondContact O-N 2.98Å; H411-H415 AromaticContact CD2-NE2 3.98Å; H411-H415 AromaticContact CE1-CE1 3.65Å; H411-H415 AromaticContact CE1-NE2 3.26Å; H411-H415 PolarHBondContact CE1-NE2 2.89Å; H411-H415 VanDerWaalsContact CE1-NE2 3.26Å; H411-H415 AromaticContact NE2-CE1 3.9Å; H411-H415 AromaticContact NE2-NE2 3.1Å; H411-H415 PolarHBondContact NE2-NE2 3.35Å; H411-H415 VanDerWaalsContact NE2-NE2 3.1Å
412	E	76.2	Confident	76.8	Confident	73 Å²	73	69.5 Å²	69.5	34%	0.341	35%	0.354	S	S	.	.	H	α-helix	trans	-57	-37.4	177.1	-69.9	175.5	120.4	0	0	112.1	F408 R409 I414 H415 T416	F408-E412 HydrophobicContact CD1-CG 4.49Å; F408-E412 HydrophobicContact CD2-CG 4.49Å; F408-E412 HydrophobicContact CE1-CG 4.1Å; F408-E412 WeakPolarHBondContact CE1-OE1 3.35Å; F408-E412 WeakPolarHBondContact CE1-OE2 3.31Å; F408-E412 HydrophobicContact CE2-CG 4.09Å; F408-E412 VanDerWaalsContact CZ-CD 3.44Å; F408-E412 HydrophobicContact CZ-CG 3.88Å; F408-E412 WeakPolarHBondContact CZ-OE1 3.5Å; F408-E412 PolarHBondContact O-N 2.98Å; R409-E412 WeakPolarHBondContact CA-OE2 3.31Å; E412-I414 PolarHBondContact O-N 3.08Å; E412-H415 PolarHBondContact O-N 2.85Å; E412-T416 PolarHBondContact O-N 3.09Å
413	R	83.2	Confident	77.1	Confident	29 Å²	29	67.7 Å²	67.7	11%	0.109	35%	0.347	C	S	.	.	H	α-helix	trans	-58.3	-16.4	172.3	-64.2	-175.7	173.1	159	2.3	115.2	H411 H415 T416 G417 E418 R431	H411-R413 PolarHBondContact O-N 3.06Å; R413-H415 VanDerWaalsContact C-N 3.33Å; R413-T416 WeakPolarHBondContact CA-OG1 3.42Å; R413-G417 PolarHBondContact O-N 2.95Å; R413-E418 HydrophobicContact CB-CB 4.09Å; R413-E418 HydrophobicContact CG-CB 3.79Å; R413-E418 IonicContact NE-OE2 3.67Å; R413-E418 PolarHBondContact NE-OE2 3.23Å; R413-R431 PolarHBondContact NH1-O 2.98Å; R413-R431 VanDerWaalsContact NH1-O 3.14Å; R413-R431 PolarHBondContact O-NE 2.89Å; R413-R431 PolarHBondContact O-NH2 2.73Å
414	I	77.4	Confident	77.6	Confident	84 Å²	84	75.6 Å²	75.6	43%	0.431	38%	0.379	S	S	.	.	H	α-helix	trans	-66.5	-42.7	172	-59.9	-178.1	0	0	0	109.3	H411 E412 R431	H411-I414 WeakPolarHBondContact O-CB 3.42Å; H411-I414 WeakPolarHBondContact O-CG1 3.39Å; H411-I414 PolarHBondContact O-N 2.98Å; E412-I414 PolarHBondContact O-N 3.08Å; I414-R431 PolarHBondContact O-NH2 3.06Å; I414-R431 VanDerWaalsContact O-NH2 3.1Å
415	H	75.9	Confident	77.7	Confident	72 Å²	72	79.3 Å²	79.3	33%	0.333	40%	0.395	S	S	.	.	H	α-helix	trans	-87.6	-43.5	-176.8	-41.7	-57.9	0	0	0	112.6	C395 Q397 C398 H411 E412 R413 G417	C395-H415 PolarHBondContact SG-NE2 2.75Å; C395-H415 VanDerWaalsContact SG-NE2 3.36Å; Q397-H415 PolarHBondContact OE1-CD2 3.02Å; C398-H415 VanDerWaalsContact SG-CE1 3.52Å; C398-H415 PolarHBondContact SG-NE2 3.27Å; H411-H415 AromaticContact CD2-NE2 3.98Å; H411-H415 AromaticContact CE1-CE1 3.65Å; H411-H415 AromaticContact CE1-NE2 3.26Å; H411-H415 PolarHBondContact CE1-NE2 2.89Å; H411-H415 VanDerWaalsContact CE1-NE2 3.26Å; H411-H415 AromaticContact NE2-CE1 3.9Å; H411-H415 AromaticContact NE2-NE2 3.1Å; H411-H415 PolarHBondContact NE2-NE2 3.35Å; H411-H415 VanDerWaalsContact NE2-NE2 3.1Å; E412-H415 PolarHBondContact O-N 2.85Å; R413-H415 VanDerWaalsContact C-N 3.33Å; H415-G417 PolarHBondContact O-N 2.96Å; H415-G417 VanDerWaalsContact O-N 3.11Å
416	T	74.8	Confident	78	Confident	80 Å²	80	78.3 Å²	78.3	49%	0.491	39%	0.387	S	S	.	.	S	Bend	trans	-70.2	-4.4	176.9	66.2	0	0	0	0	113.4	E412 R413 E418	E412-T416 PolarHBondContact O-N 3.09Å; R413-T416 WeakPolarHBondContact CA-OG1 3.42Å; T416-E418 PolarHBondContact O-N 2.88Å; T416-E418 WeakPolarHBondContact OG1-CG 3.48Å; T416-E418 PolarHBondContact OG1-OE1 2.91Å
417	G	75.3	Confident	78.2	Confident	35 Å²	35	77 Å²	77	36%	0.361	39%	0.385	S	S	.	.			trans	72.1	-17.3	-179.3	0	0	0	0	0	115.3	R413 H415 K419	R413-G417 PolarHBondContact O-N 2.95Å; H415-G417 PolarHBondContact O-N 2.96Å; H415-G417 VanDerWaalsContact O-N 3.11Å; G417-K419 WeakPolarHBondContact O-CG 3.49Å; G417-K419 PolarHBondContact O-N 2.87Å
418	E	76.8	Confident	78.4	Confident	87 Å²	87	80.3 Å²	80.3	41%	0.407	39%	0.394	S	S	.	.			trans	-39.3	126	-178.4	-88	173.6	-110.1	0	0	114.3	R413 T416 P420 R431	R413-E418 HydrophobicContact CB-CB 4.09Å; R413-E418 HydrophobicContact CG-CB 3.79Å; R413-E418 IonicContact NE-OE2 3.67Å; R413-E418 PolarHBondContact NE-OE2 3.23Å; T416-E418 PolarHBondContact O-N 2.88Å; T416-E418 WeakPolarHBondContact OG1-CG 3.48Å; T416-E418 PolarHBondContact OG1-OE1 2.91Å; E418-P420 HydrophobicContact CB-CG 4.46Å; E418-R431 WeakPolarHBondContact O-CG 3.37Å
419	K	82.6	Confident	78.7	Confident	111 Å²	111	80.4 Å²	80.4	48%	0.483	40%	0.401	S	S	.	.			trans	-130.3	71.8	175.3	-69.8	153	-179.1	173.4	0	111.5	G417 Y421 A429 F430 R431	G417-K419 WeakPolarHBondContact O-CG 3.49Å; G417-K419 PolarHBondContact O-N 2.87Å; K419-Y421 PolarHBondContact O-N 2.83Å; K419-A429 HydrophobicContact CB-CB 3.51Å; K419-A429 HydrophobicContact CD-CB 4.03Å; K419-A429 WeakPolarHBondContact CD-O 3.33Å; K419-A429 HydrophobicContact CG-CB 4.33Å; K419-F430 CarbonylContact C-O 3.48Å; K419-F430 WeakPolarHBondContact CA-O 3.08Å; K419-R431 HydrophobicContact CG-CG 4.19Å
420	P	81.4	Confident	79.1	Confident	69 Å²	69	75.2 Å²	75.2	45%	0.448	38%	0.383	S	S	.	.			trans	-72.9	15.2	-169.4	-20.3	36.6	0	0	0	116.2	E418	E418-P420 HydrophobicContact CB-CG 4.46Å
421	Y	82	Confident	79.3	Confident	83 Å²	83	74.6 Å²	74.6	33%	0.325	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	91.9	-176.6	-57.4	-80.6	0	0	0	109.8	K419 F430 A433	K419-Y421 PolarHBondContact O-N 2.83Å; Y421-F430 PolarHBondContact N-O 2.56Å; Y421-F430 PolarHBondContact O-N 3.19Å; Y421-A433 HydrophobicContact CD1-CB 3.82Å; Y421-A433 HydrophobicContact CE1-CB 3.79Å; Y421-A433 HydrophobicContact CG-CB 4.41Å
422	E	78.1	Confident	79.4	Confident	122 Å²	122	75.2 Å²	75.2	57%	0.57	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	142.2	-177.4	-162.3	179.2	144.3	0	0	113.2	K424 G427 A429 L436	E422-K424 PolarHBondContact O-N 2.68Å; E422-G427 WeakPolarHBondContact OE1-CA 3.26Å; E422-A429 HydrophobicContact CB-CB 4.43Å; E422-A429 HydrophobicContact CG-CB 4.26Å; E422-L436 WeakPolarHBondContact O-CD2 3.33Å
423	C	84.1	Confident	79.4	Confident	7 Å²	7	74.3 Å²	74.3	5%	0.047	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	101.2	172	-170.6	0	0	0	0	110.7	Q425 C426 G427 K428 F430 L436 H443	C423-Q425 PolarHBondContact O-N 3.21Å; C423-C426 PolarHBondContact O-N 2.89Å; C423-G427 PolarHBondContact O-N 3.32Å; C423-K428 HydrophobicContact CB-CB 4.48Å; C423-K428 WeakPolarHBondContact CB-O 3.13Å; C423-K428 PolarHBondContact N-O 3.14Å; C423-F430 HydrophobicContact CB-CE2 4.42Å; C423-L436 HydrophobicContact CB-CD1 3.55Å; C423-H443 PolarHBondContact SG-NE2 2.54Å
424	K	80.2	Confident	79.1	Confident	211 Å²	211	76 Å²	76	92%	0.917	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-22.2	177.4	-65.5	-168.7	174.7	-168.3	0	114.9	E422	E422-K424 PolarHBondContact O-N 2.68Å
425	Q	74	Confident	79.1	Confident	134 Å²	134	75.4 Å²	75.4	63%	0.626	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-11.8	179.1	-72.1	174.5	-38.7	0	0	114.4	C423 H443	C423-Q425 PolarHBondContact O-N 3.21Å; Q425-H443 PolarHBondContact OE1-CD2 2.88Å; Q425-H443 VanDerWaalsContact OE1-CD2 3.25Å
426	C	78.2	Confident	79.4	Confident	44 Å²	44	73.9 Å²	73.9	30%	0.297	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160	15.1	-176.5	70.9	0	0	0	0	116.4	C423 K428 H439 H443	C423-C426 PolarHBondContact O-N 2.89Å; C426-K428 PolarHBondContact O-N 3.23Å; C426-H439 PolarHBondContact SG-NE2 3.13Å; C426-H443 WeakPolarHBondContact CB-CE1 3.46Å; C426-H443 PolarHBondContact SG-CE1 2.99Å; C426-H443 PolarHBondContact SG-NE2 2.85Å
427	G	78.3	Confident	79.5	Confident	46 Å²	46	78.1 Å²	78.1	47%	0.474	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	2.1	178.8	0	0	0	0	0	115.9	E422 C423 A429	E422-G427 WeakPolarHBondContact OE1-CA 3.26Å; C423-G427 PolarHBondContact O-N 3.32Å; G427-A429 PolarHBondContact O-N 3.07Å
428	K	79.7	Confident	79.6	Confident	115 Å²	115	78.6 Å²	78.6	50%	0.5	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	115.2	-175.5	-71.9	171.7	-171.5	153.6	0	110.4	C423 C426 F430	C423-K428 HydrophobicContact CB-CB 4.48Å; C423-K428 WeakPolarHBondContact CB-O 3.13Å; C423-K428 PolarHBondContact N-O 3.14Å; C426-K428 PolarHBondContact O-N 3.23Å; K428-F430 HydrophobicContact CB-CE2 3.79Å; K428-F430 HydrophobicContact CB-CZ 4Å; K428-F430 VanDerWaalsContact O-CD2 3.26Å; K428-F430 WeakPolarHBondContact O-CD2 3.38Å; K428-F430 WeakPolarHBondContact O-CE2 3.47Å
429	A	83.9	Confident	79.7	Confident	34 Å²	34	75.7 Å²	75.7	28%	0.281	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138	-178.9	0	0	0	0	0	113.2	K419 E422 G427	K419-A429 HydrophobicContact CB-CB 3.51Å; K419-A429 HydrophobicContact CD-CB 4.03Å; K419-A429 WeakPolarHBondContact CD-O 3.33Å; K419-A429 HydrophobicContact CG-CB 4.33Å; E422-A429 HydrophobicContact CB-CB 4.43Å; E422-A429 HydrophobicContact CG-CB 4.26Å; G427-A429 PolarHBondContact O-N 3.07Å
430	F	83.4	Confident	79.3	Confident	47 Å²	47	71.3 Å²	71.3	21%	0.206	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	156.7	-174.8	-61.2	-88.2	0	0	0	113	K419 Y421 C423 K428 Q435 L436 H439	K419-F430 CarbonylContact C-O 3.48Å; K419-F430 WeakPolarHBondContact CA-O 3.08Å; Y421-F430 PolarHBondContact N-O 2.56Å; Y421-F430 PolarHBondContact O-N 3.19Å; C423-F430 HydrophobicContact CB-CE2 4.42Å; K428-F430 HydrophobicContact CB-CE2 3.79Å; K428-F430 HydrophobicContact CB-CZ 4Å; K428-F430 VanDerWaalsContact O-CD2 3.26Å; K428-F430 WeakPolarHBondContact O-CD2 3.38Å; K428-F430 WeakPolarHBondContact O-CE2 3.47Å; F430-Q435 HydrophobicContact CB-CB 3.97Å; F430-Q435 HydrophobicContact CD1-CB 3.86Å; F430-Q435 HydrophobicContact CG-CB 4.16Å; F430-L436 HydrophobicContact CB-CB 4.44Å; F430-L436 HydrophobicContact CD2-CB 4.13Å; F430-L436 HydrophobicContact CD2-CD1 3.97Å; F430-L436 HydrophobicContact CE2-CD1 4.23Å; F430-L436 HydrophobicContact CG-CB 4.48Å; F430-H439 HydrophobicContact CE1-CB 4.12Å; F430-H439 HydrophobicContact CE2-CB 3.91Å; F430-H439 AromaticContact CE2-CD2 3.25Å; F430-H439 WeakPolarHBondContact CE2-CD2 3.48Å; F430-H439 AromaticContact CE2-CG 3.71Å; F430-H439 HydrophobicContact CZ-CB 3.56Å; F430-H439 AromaticContact CZ-CD2 3.33Å; F430-H439 WeakPolarHBondContact CZ-CD2 3.41Å; F430-H439 AromaticContact CZ-CG 3.36Å
431	R	80.4	Confident	79	Confident	71 Å²	71	68.3 Å²	68.3	27%	0.268	35%	0.353	S	S	.	.	S	Bend	trans	-80.8	-14.6	-177.9	-59.3	-170.2	163.6	103.5	-13.4	113.8	Y410 R413 I414 E418 K419	Y410-R431 HydrophobicContact CD2-CB 4.49Å; Y410-R431 HydrophobicContact CE2-CB 3.77Å; R413-R431 PolarHBondContact NH1-O 2.98Å; R413-R431 VanDerWaalsContact NH1-O 3.14Å; R413-R431 PolarHBondContact O-NE 2.89Å; R413-R431 PolarHBondContact O-NH2 2.73Å; I414-R431 PolarHBondContact O-NH2 3.06Å; I414-R431 VanDerWaalsContact O-NH2 3.1Å; E418-R431 WeakPolarHBondContact O-CG 3.37Å; K419-R431 HydrophobicContact CG-CG 4.19Å
432	S	80.7	Confident	78.6	Confident	25 Å²	25	67.5 Å²	67.5	18%	0.175	36%	0.357	C	S	.	.	S	Bend	trans	-147.6	148.1	178.8	64.3	0	0	0	0	113	S434 Q435 L436	S432-S434 PolarHBondContact O-N 3.35Å; S432-Q435 VanDerWaalsContact N-OE1 3.14Å; S432-Q435 WeakPolarHBondContact O-CB 3.25Å; S432-Q435 PolarHBondContact O-N 3.24Å; S432-Q435 VanDerWaalsContact O-N 3.09Å; S432-Q435 VanDerWaalsContact OG-CG 3.32Å; S432-Q435 WeakPolarHBondContact OG-CG 3.45Å; S432-Q435 PolarHBondContact OG-N 3.09Å; S432-Q435 PolarHBondContact OG-OE1 2.95Å; S432-L436 PolarHBondContact O-N 3.44Å
433	A	77.8	Confident	78.4	Confident	54 Å²	54	65.4 Å²	65.4	45%	0.446	35%	0.347	S	S	.	.	H	α-helix	trans	-58	-31.8	175	0	0	0	0	0	113.5	Y421 Q435 L436 R437	Y421-A433 HydrophobicContact CD1-CB 3.82Å; Y421-A433 HydrophobicContact CE1-CB 3.79Å; Y421-A433 HydrophobicContact CG-CB 4.41Å; A433-Q435 VanDerWaalsContact C-N 3.34Å; A433-Q435 PolarHBondContact O-N 2.93Å; A433-L436 PolarHBondContact O-N 3.22Å; A433-R437 WeakPolarHBondContact O-CB 3.46Å; A433-R437 PolarHBondContact O-N 2.63Å
434	S	76.1	Confident	77.7	Confident	64 Å²	64	68.8 Å²	68.8	45%	0.448	37%	0.367	S	S	.	.	H	α-helix	trans	-68.7	-32	177.5	-165.1	0	0	0	0	112.5	S432 R437 V438	S432-S434 PolarHBondContact O-N 3.35Å; S434-R437 PolarHBondContact OG-NH2 2.83Å; S434-V438 WeakPolarHBondContact O-CG2 3.5Å; S434-V438 PolarHBondContact O-N 3.16Å; S434-V438 VanDerWaalsContact O-N 3.15Å
435	Q	78.1	Confident	77.3	Confident	72 Å²	72	60.4 Å²	60.4	34%	0.336	34%	0.341	S	S	.	.	H	α-helix	trans	-70.6	-44.2	172	-74	157.8	-24.6	0	0	111.1	Y410 F430 S432 A433 R437 V438 H439	Y410-Q435 PolarHBondContact OH-NE2 2.76Å; F430-Q435 HydrophobicContact CB-CB 3.97Å; F430-Q435 HydrophobicContact CD1-CB 3.86Å; F430-Q435 HydrophobicContact CG-CB 4.16Å; S432-Q435 VanDerWaalsContact N-OE1 3.14Å; S432-Q435 WeakPolarHBondContact O-CB 3.25Å; S432-Q435 PolarHBondContact O-N 3.24Å; S432-Q435 VanDerWaalsContact O-N 3.09Å; S432-Q435 VanDerWaalsContact OG-CG 3.32Å; S432-Q435 WeakPolarHBondContact OG-CG 3.45Å; S432-Q435 PolarHBondContact OG-N 3.09Å; S432-Q435 PolarHBondContact OG-OE1 2.95Å; A433-Q435 VanDerWaalsContact C-N 3.34Å; A433-Q435 PolarHBondContact O-N 2.93Å; Q435-R437 VanDerWaalsContact C-N 3.34Å; Q435-R437 PolarHBondContact O-N 3.35Å; Q435-V438 PolarHBondContact O-N 3.3Å; Q435-H439 WeakPolarHBondContact O-CB 3.45Å; Q435-H439 PolarHBondContact O-N 3.28Å
436	L	81.6	Confident	77.2	Confident	41 Å²	41	59.5 Å²	59.5	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-58	-44.3	174.6	175.2	59.1	0	0	0	111.5	E422 C423 F430 S432 A433 H439 G440	E422-L436 WeakPolarHBondContact O-CD2 3.33Å; C423-L436 HydrophobicContact CB-CD1 3.55Å; F430-L436 HydrophobicContact CB-CB 4.44Å; F430-L436 HydrophobicContact CD2-CB 4.13Å; F430-L436 HydrophobicContact CD2-CD1 3.97Å; F430-L436 HydrophobicContact CE2-CD1 4.23Å; F430-L436 HydrophobicContact CG-CB 4.48Å; S432-L436 PolarHBondContact O-N 3.44Å; A433-L436 PolarHBondContact O-N 3.22Å; L436-H439 CarbonylContact O-C 3.23Å; L436-H439 WeakPolarHBondContact O-CA 3.47Å; L436-H439 WeakPolarHBondContact O-CB 3.32Å; L436-H439 PolarHBondContact O-N 3.19Å; L436-H439 VanDerWaalsContact O-N 3.16Å; L436-G440 PolarHBondContact O-N 3.27Å
437	R	77.2	Confident	77.2	Confident	169 Å²	169	62.6 Å²	62.6	64%	0.638	35%	0.345	S	S	*	.	H	α-helix	trans	-62	-45.1	176.4	-175.7	178.8	60.5	-151.5	-5.2	113	A433 S434 Q435 H439 G440 G441	A433-R437 WeakPolarHBondContact O-CB 3.46Å; A433-R437 PolarHBondContact O-N 2.63Å; S434-R437 PolarHBondContact OG-NH2 2.83Å; Q435-R437 VanDerWaalsContact C-N 3.34Å; Q435-R437 PolarHBondContact O-N 3.35Å; R437-H439 PolarHBondContact O-N 3.34Å; R437-G440 PolarHBondContact O-N 2.75Å; R437-G441 PolarHBondContact O-N 2.76Å
438	V	76.8	Confident	77.1	Confident	44 Å²	44	64.9 Å²	64.9	27%	0.267	35%	0.352	S	S	.	.	H	α-helix	trans	-65.8	-27.1	176.1	172.6	0	0	0	0	111.7	S434 Q435 R459	S434-V438 WeakPolarHBondContact O-CG2 3.5Å; S434-V438 PolarHBondContact O-N 3.16Å; S434-V438 VanDerWaalsContact O-N 3.15Å; Q435-V438 PolarHBondContact O-N 3.3Å; V438-R459 HydrophobicContact CG1-CB 4.47Å
439	H	79.6	Confident	77	Confident	26 Å²	26	63.5 Å²	63.5	12%	0.12	34%	0.344	C	S	.	.	H	α-helix	trans	-77.5	-34.7	170.9	177.6	48.8	0	0	0	113.4	C426 F430 Q435 L436 R437 G441 T442 H443	C426-H439 PolarHBondContact SG-NE2 3.13Å; F430-H439 HydrophobicContact CE1-CB 4.12Å; F430-H439 HydrophobicContact CE2-CB 3.91Å; F430-H439 AromaticContact CE2-CD2 3.25Å; F430-H439 WeakPolarHBondContact CE2-CD2 3.48Å; F430-H439 AromaticContact CE2-CG 3.71Å; F430-H439 HydrophobicContact CZ-CB 3.56Å; F430-H439 AromaticContact CZ-CD2 3.33Å; F430-H439 WeakPolarHBondContact CZ-CD2 3.41Å; F430-H439 AromaticContact CZ-CG 3.36Å; Q435-H439 WeakPolarHBondContact O-CB 3.45Å; Q435-H439 PolarHBondContact O-N 3.28Å; L436-H439 CarbonylContact O-C 3.23Å; L436-H439 WeakPolarHBondContact O-CA 3.47Å; L436-H439 WeakPolarHBondContact O-CB 3.32Å; L436-H439 PolarHBondContact O-N 3.19Å; L436-H439 VanDerWaalsContact O-N 3.16Å; R437-H439 PolarHBondContact O-N 3.34Å; H439-G441 VanDerWaalsContact C-N 3.25Å; H439-G441 PolarHBondContact O-N 2.81Å; H439-T442 PolarHBondContact CE1-OG1 3.35Å; H439-T442 PolarHBondContact ND1-OG1 2.71Å; H439-T442 WeakPolarHBondContact O-CA 3.39Å; H439-T442 WeakPolarHBondContact O-CB 3.34Å; H439-T442 PolarHBondContact O-N 3.46Å; H439-T442 PolarHBondContact O-OG1 2.96Å; H439-H443 AromaticContact CD2-NE2 3.32Å; H439-H443 PolarHBondContact CD2-NE2 3.31Å; H439-H443 VanDerWaalsContact CD2-NE2 3.32Å; H439-H443 AromaticContact CE1-CE1 3.84Å; H439-H443 AromaticContact CE1-NE2 3.23Å; H439-H443 PolarHBondContact CE1-NE2 2.92Å; H439-H443 AromaticContact NE2-CE1 3.89Å; H439-H443 AromaticContact NE2-NE2 2.56Å; H439-H443 PolarHBondContact NE2-NE2 3.43Å
440	G	74.1	Confident	76.7	Confident	19 Å²	19	67.7 Å²	67.7	20%	0.196	36%	0.358	C	S	.	.	H	α-helix	trans	-53.5	-42.9	175.1	0	0	0	0	0	112.3	L436 R437 T442 H443 T444	L436-G440 PolarHBondContact O-N 3.27Å; R437-G440 PolarHBondContact O-N 2.75Å; G440-T442 PolarHBondContact O-N 3.24Å; G440-H443 PolarHBondContact O-N 3.14Å; G440-T444 PolarHBondContact O-N 3.17Å; G440-T444 VanDerWaalsContact O-N 3.11Å; G440-T444 PolarHBondContact O-OG1 3.42Å
441	G	74.9	Confident	76.6	Confident	6 Å²	6	65.6 Å²	65.6	6%	0.062	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-11.3	171.7	0	0	0	0	0	115.8	R437 H439 T444 G445 R459	R437-G441 PolarHBondContact O-N 2.76Å; H439-G441 VanDerWaalsContact C-N 3.25Å; H439-G441 PolarHBondContact O-N 2.81Å; G441-T444 WeakPolarHBondContact CA-OG1 3.17Å; G441-G445 CarbonylContact O-C 3.42Å; G441-G445 WeakPolarHBondContact O-CA 3.44Å; G441-G445 PolarHBondContact O-N 2.74Å; G441-R459 VanDerWaalsContact C-NE 3.34Å; G441-R459 PolarHBondContact O-NE 2.91Å; G441-R459 PolarHBondContact O-NH2 3.25Å; G441-R459 VanDerWaalsContact O-NH2 3.13Å
442	T	72.6	Confident	76.5	Confident	66 Å²	66	72.4 Å²	72.4	41%	0.405	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-19.8	171.2	68.2	0	0	0	0	113.7	H439 G440	H439-T442 PolarHBondContact CE1-OG1 3.35Å; H439-T442 PolarHBondContact ND1-OG1 2.71Å; H439-T442 WeakPolarHBondContact O-CA 3.39Å; H439-T442 WeakPolarHBondContact O-CB 3.34Å; H439-T442 PolarHBondContact O-N 3.46Å; H439-T442 PolarHBondContact O-OG1 2.96Å; G440-T442 PolarHBondContact O-N 3.24Å
443	H	74.9	Confident	76.1	Confident	79 Å²	79	77 Å²	77	37%	0.366	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-49.5	172.7	-53.4	-57.6	0	0	0	111.3	C423 Q425 C426 H439 G440 G445	C423-H443 PolarHBondContact SG-NE2 2.54Å; Q425-H443 PolarHBondContact OE1-CD2 2.88Å; Q425-H443 VanDerWaalsContact OE1-CD2 3.25Å; C426-H443 WeakPolarHBondContact CB-CE1 3.46Å; C426-H443 PolarHBondContact SG-CE1 2.99Å; C426-H443 PolarHBondContact SG-NE2 2.85Å; H439-H443 AromaticContact CD2-NE2 3.32Å; H439-H443 PolarHBondContact CD2-NE2 3.31Å; H439-H443 VanDerWaalsContact CD2-NE2 3.32Å; H439-H443 AromaticContact CE1-CE1 3.84Å; H439-H443 AromaticContact CE1-NE2 3.23Å; H439-H443 PolarHBondContact CE1-NE2 2.92Å; H439-H443 AromaticContact NE2-CE1 3.89Å; H439-H443 AromaticContact NE2-NE2 2.56Å; H439-H443 PolarHBondContact NE2-NE2 3.43Å; G440-H443 PolarHBondContact O-N 3.14Å; H443-G445 PolarHBondContact O-N 2.81Å
444	T	70.1	Confident	76.1	Confident	77 Å²	77	76.6 Å²	76.6	47%	0.472	39%	0.393	S	S	.	.	S	Bend	trans	-71.9	-8.1	178.3	57.5	0	0	0	0	113.5	G440 G441 E446	G440-T444 PolarHBondContact O-N 3.17Å; G440-T444 VanDerWaalsContact O-N 3.11Å; G440-T444 PolarHBondContact O-OG1 3.42Å; G441-T444 WeakPolarHBondContact CA-OG1 3.17Å; T444-E446 WeakPolarHBondContact CB-OE2 3.38Å; T444-E446 PolarHBondContact O-N 3.07Å; T444-E446 VanDerWaalsContact OG1-CD 3.26Å; T444-E446 WeakPolarHBondContact OG1-CG 3.26Å; T444-E446 PolarHBondContact OG1-OE2 3.09Å
445	G	70.3	Confident	76.1	Confident	36 Å²	36	75.8 Å²	75.8	37%	0.371	39%	0.394	S	S	.	.			trans	73	-16.8	-175.8	0	0	0	0	0	115	G441 H443	G441-G445 CarbonylContact O-C 3.42Å; G441-G445 WeakPolarHBondContact O-CA 3.44Å; G441-G445 PolarHBondContact O-N 2.74Å; H443-G445 PolarHBondContact O-N 2.81Å
446	E	72.4	Confident	75.9	Confident	114 Å²	114	77.8 Å²	77.8	53%	0.533	40%	0.402	S	S	.	.			trans	-49.6	139.3	-174	-67.2	167.6	132.6	0	0	113.9	T444 R459	T444-E446 WeakPolarHBondContact CB-OE2 3.38Å; T444-E446 PolarHBondContact O-N 3.07Å; T444-E446 VanDerWaalsContact OG1-CD 3.26Å; T444-E446 WeakPolarHBondContact OG1-CG 3.26Å; T444-E446 PolarHBondContact OG1-OE2 3.09Å; E446-R459 WeakPolarHBondContact O-CG 3.35Å
447	K	77.7	Confident	75.8	Confident	109 Å²	109	77.6 Å²	77.6	47%	0.474	41%	0.407	S	S	.	.			trans	-137.7	70.9	178.7	-65.9	172.1	-142.9	156.5	0	110.7	Y449 A457 F458 R459	K447-Y449 PolarHBondContact O-N 3.17Å; K447-A457 HydrophobicContact CB-CB 3.54Å; K447-A457 HydrophobicContact CD-CB 4.06Å; K447-A457 VanDerWaalsContact CD-O 3.3Å; K447-A457 WeakPolarHBondContact CD-O 3.41Å; K447-A457 HydrophobicContact CG-CB 4.44Å; K447-F458 CarbonylContact C-O 3.32Å; K447-F458 WeakPolarHBondContact CA-O 3.43Å; K447-R459 HydrophobicContact CG-CG 4.09Å
448	P	76.6	Confident	75.9	Confident	94 Å²	94	71.9 Å²	71.9	61%	0.61	39%	0.387	S	S	*	.			trans	-69.1	9.9	-166.7	-21.1	35	0	0	0	116.9
449	Y	78.6	Confident	76	Confident	86 Å²	86	74.1 Å²	74.1	34%	0.337	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	94.1	-173.8	-55.5	-68.7	0	0	0	110.6	K447 F458 S460 T461	K447-Y449 PolarHBondContact O-N 3.17Å; Y449-F458 PolarHBondContact N-O 2.45Å; Y449-F458 PolarHBondContact O-N 2.82Å; Y449-S460 VanDerWaalsContact CD2-C 3.5Å; Y449-S460 VanDerWaalsContact CD2-CA 3.44Å; Y449-T461 HydrophobicContact CD1-CG2 3.47Å; Y449-T461 VanDerWaalsContact CD1-CG2 3.47Å; Y449-T461 HydrophobicContact CD2-CG2 4.43Å; Y449-T461 HydrophobicContact CE1-CG2 3.37Å; Y449-T461 HydrophobicContact CE2-CG2 4.33Å; Y449-T461 HydrophobicContact CG-CG2 4.01Å
450	E	77.3	Confident	75.9	Confident	122 Å²	122	73.9 Å²	73.9	57%	0.57	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	145.3	-177.3	-158.7	177	138.7	0	0	113.6	G455 A457 L464	E450-G455 WeakPolarHBondContact OE1-CA 3.1Å; E450-A457 HydrophobicContact CG-CB 4.44Å; E450-L464 WeakPolarHBondContact O-CD2 3.33Å
451	C	82.1	Confident	75.9	Confident	4 Å²	4	76.4 Å²	76.4	3%	0.027	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	104.1	171.9	-177.9	0	0	0	0	110.4	E453 C454 G455 K456 F458 L464 H471	C451-E453 PolarHBondContact O-N 2.86Å; C451-C454 PolarHBondContact O-N 3.03Å; C451-G455 PolarHBondContact O-N 3.33Å; C451-K456 HydrophobicContact CB-CB 4.44Å; C451-K456 WeakPolarHBondContact CB-O 3.13Å; C451-K456 PolarHBondContact N-O 3Å; C451-F458 HydrophobicContact CB-CE2 4.48Å; C451-L464 HydrophobicContact CB-CD1 3.54Å; C451-H471 PolarHBondContact SG-NE2 3.32Å
452	K	77.4	Confident	75.9	Confident	213 Å²	213	78.6 Å²	78.6	93%	0.926	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-25.7	178.7	-63.9	-168.5	173.7	-166.3	0	114.3
453	E	72.6	Confident	76.2	Confident	122 Å²	122	80.8 Å²	80.8	57%	0.57	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-13.8	-177.9	-61.4	159.6	115.4	0	0	113.7	C451 H471	C451-E453 PolarHBondContact O-N 2.86Å; E453-H471 IonicContact OE2-CD2 3.72Å; E453-H471 PolarHBondContact OE2-CD2 3.45Å; E453-H471 IonicContact OE2-CG 2.91Å
454	C	76.8	Confident	76.5	Confident	45 Å²	45	78.9 Å²	78.9	30%	0.304	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.9	18.3	-179.4	70.8	0	0	0	0	116.7	C451 K456 H467 H471	C451-C454 PolarHBondContact O-N 3.03Å; C454-K456 PolarHBondContact O-N 2.58Å; C454-H467 PolarHBondContact SG-NE2 3.33Å; C454-H471 WeakPolarHBondContact CB-CE1 3.4Å; C454-H471 PolarHBondContact SG-CE1 3.21Å; C454-H471 PolarHBondContact SG-NE2 3.31Å
455	G	75.8	Confident	76.9	Confident	47 Å²	47	82.2 Å²	82.2	49%	0.485	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	3.9	177.5	0	0	0	0	0	115.9	E450 C451 A457	E450-G455 WeakPolarHBondContact OE1-CA 3.1Å; C451-G455 PolarHBondContact O-N 3.33Å; G455-A457 PolarHBondContact O-N 3.33Å
456	K	74.4	Confident	77.2	Confident	114 Å²	114	81.7 Å²	81.7	50%	0.496	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	114.6	-174.6	-74	173.6	-172.5	146.7	0	110.8	C451 C454 F458	C451-K456 HydrophobicContact CB-CB 4.44Å; C451-K456 WeakPolarHBondContact CB-O 3.13Å; C451-K456 PolarHBondContact N-O 3Å; C454-K456 PolarHBondContact O-N 2.58Å; K456-F458 HydrophobicContact CB-CE2 3.7Å; K456-F458 HydrophobicContact CB-CZ 4.12Å; K456-F458 WeakPolarHBondContact O-CD2 3.33Å; K456-F458 WeakPolarHBondContact O-CE2 3.49Å
457	A	80.2	Confident	77.6	Confident	38 Å²	38	77.4 Å²	77.4	31%	0.314	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.2	179.1	0	0	0	0	0	113.1	K447 E450 G455	K447-A457 HydrophobicContact CB-CB 3.54Å; K447-A457 HydrophobicContact CD-CB 4.06Å; K447-A457 VanDerWaalsContact CD-O 3.3Å; K447-A457 WeakPolarHBondContact CD-O 3.41Å; K447-A457 HydrophobicContact CG-CB 4.44Å; E450-A457 HydrophobicContact CG-CB 4.44Å; G455-A457 PolarHBondContact O-N 3.33Å
458	F	79.6	Confident	77.5	Confident	49 Å²	49	72.9 Å²	72.9	22%	0.215	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153.6	-177.6	-65.7	-92	0	0	0	113.7	K447 Y449 C451 K456 S460 H463 L464 H467	K447-F458 CarbonylContact C-O 3.32Å; K447-F458 WeakPolarHBondContact CA-O 3.43Å; Y449-F458 PolarHBondContact N-O 2.45Å; Y449-F458 PolarHBondContact O-N 2.82Å; C451-F458 HydrophobicContact CB-CE2 4.48Å; K456-F458 HydrophobicContact CB-CE2 3.7Å; K456-F458 HydrophobicContact CB-CZ 4.12Å; K456-F458 WeakPolarHBondContact O-CD2 3.33Å; K456-F458 WeakPolarHBondContact O-CE2 3.49Å; F458-S460 VanDerWaalsContact C-N 3.28Å; F458-S460 PolarHBondContact O-N 3.06Å; F458-H463 HydrophobicContact CB-CB 4.26Å; F458-H463 HydrophobicContact CD1-CB 3.87Å; F458-H463 HydrophobicContact CG-CB 4.37Å; F458-L464 HydrophobicContact CB-CB 4.3Å; F458-L464 HydrophobicContact CD2-CB 4.23Å; F458-L464 HydrophobicContact CD2-CD1 4Å; F458-L464 HydrophobicContact CE2-CD1 4.36Å; F458-L464 HydrophobicContact CG-CB 4.39Å; F458-H467 HydrophobicContact CE1-CB 4.02Å; F458-H467 HydrophobicContact CE2-CB 3.94Å; F458-H467 AromaticContact CE2-CD2 3.13Å; F458-H467 WeakPolarHBondContact CE2-CD2 3.41Å; F458-H467 AromaticContact CE2-CG 3.71Å; F458-H467 AromaticContact CE2-NE2 3.97Å; F458-H467 HydrophobicContact CZ-CB 3.55Å; F458-H467 AromaticContact CZ-CD2 3.26Å; F458-H467 WeakPolarHBondContact CZ-CD2 3.48Å; F458-H467 AromaticContact CZ-CG 3.37Å
459	R	77.6	Confident	77.7	Confident	91 Å²	91	70 Å²	70	34%	0.343	35%	0.35	S	S	.	.	S	Bend	trans	-78.6	-2.9	177.3	-60	-176.7	168.9	118.1	-5.8	114.8	V438 G441 E446 K447	V438-R459 HydrophobicContact CG1-CB 4.47Å; G441-R459 VanDerWaalsContact C-NE 3.34Å; G441-R459 PolarHBondContact O-NE 2.91Å; G441-R459 PolarHBondContact O-NH2 3.25Å; G441-R459 VanDerWaalsContact O-NH2 3.13Å; E446-R459 WeakPolarHBondContact O-CG 3.35Å; K447-R459 HydrophobicContact CG-CG 4.09Å
460	S	78.6	Confident	77.5	Confident	21 Å²	21	68.8 Å²	68.8	15%	0.147	35%	0.352	C	S	.	.			trans	-160.3	140.7	-179.9	-179.4	0	0	0	0	111.7	Y449 F458 S462 H463 L464	Y449-S460 VanDerWaalsContact CD2-C 3.5Å; Y449-S460 VanDerWaalsContact CD2-CA 3.44Å; F458-S460 VanDerWaalsContact C-N 3.28Å; F458-S460 PolarHBondContact O-N 3.06Å; S460-S462 PolarHBondContact O-N 2.87Å; S460-S462 VanDerWaalsContact O-N 3.14Å; S460-S462 PolarHBondContact OG-N 3.31Å; S460-H463 PolarHBondContact O-N 3.33Å; S460-L464 PolarHBondContact O-N 3.23Å
461	T	73.3	Confident	77.4	Confident	72 Å²	72	66.6 Å²	66.6	44%	0.442	34%	0.341	S	S	.	.	H	α-helix	trans	-51.3	-31.4	168.9	56	0	0	0	0	113.6	Y449 R465	Y449-T461 HydrophobicContact CD1-CG2 3.47Å; Y449-T461 VanDerWaalsContact CD1-CG2 3.47Å; Y449-T461 HydrophobicContact CD2-CG2 4.43Å; Y449-T461 HydrophobicContact CE1-CG2 3.37Å; Y449-T461 HydrophobicContact CE2-CG2 4.33Å; Y449-T461 HydrophobicContact CG-CG2 4.01Å; T461-R465 WeakPolarHBondContact O-CB 3.37Å; T461-R465 PolarHBondContact O-N 3.14Å
462	S	76	Confident	76.9	Confident	51 Å²	51	70.2 Å²	70.2	36%	0.357	36%	0.363	S	S	.	.	H	α-helix	trans	-77.6	-26.6	177.8	-69.8	0	0	0	0	113.1	S460 R465 V466	S460-S462 PolarHBondContact O-N 2.87Å; S460-S462 VanDerWaalsContact O-N 3.14Å; S460-S462 PolarHBondContact OG-N 3.31Å; S462-R465 PolarHBondContact OG-NH2 3.26Å; S462-V466 VanDerWaalsContact O-CG2 3.31Å; S462-V466 WeakPolarHBondContact O-CG2 3.45Å; S462-V466 PolarHBondContact O-N 3.19Å
463	H	78.8	Confident	76.7	Confident	112 Å²	112	62 Å²	62	52%	0.519	34%	0.339	S	S	.	.	H	α-helix	trans	-74.9	-42.4	168.9	-67	134.7	0	0	0	110.8	F458 S460 V466 H467	F458-H463 HydrophobicContact CB-CB 4.26Å; F458-H463 HydrophobicContact CD1-CB 3.87Å; F458-H463 HydrophobicContact CG-CB 4.37Å; S460-H463 PolarHBondContact O-N 3.33Å; H463-V466 PolarHBondContact O-N 3.2Å; H463-H467 WeakPolarHBondContact O-CB 3.3Å; H463-H467 PolarHBondContact O-N 3.44Å
464	L	80.8	Confident	76.8	Confident	40 Å²	40	60.2 Å²	60.2	21%	0.209	33%	0.331	C	S	.	.	H	α-helix	trans	-58.6	-48.4	174	174.7	58.8	0	0	0	112	E450 C451 F458 S460 V466 H467 G468	E450-L464 WeakPolarHBondContact O-CD2 3.33Å; C451-L464 HydrophobicContact CB-CD1 3.54Å; F458-L464 HydrophobicContact CB-CB 4.3Å; F458-L464 HydrophobicContact CD2-CB 4.23Å; F458-L464 HydrophobicContact CD2-CD1 4Å; F458-L464 HydrophobicContact CE2-CD1 4.36Å; F458-L464 HydrophobicContact CG-CB 4.39Å; S460-L464 PolarHBondContact O-N 3.23Å; L464-V466 VanDerWaalsContact C-N 3.31Å; L464-V466 PolarHBondContact O-N 3.25Å; L464-H467 CarbonylContact O-C 3.51Å; L464-H467 WeakPolarHBondContact O-CA 3.36Å; L464-H467 WeakPolarHBondContact O-CB 3.47Å; L464-H467 PolarHBondContact O-N 2.72Å; L464-G468 PolarHBondContact O-N 2.89Å
465	R	77.9	Confident	77	Confident	146 Å²	146	63.9 Å²	63.9	55%	0.551	34%	0.342	S	S	*	.	H	α-helix	trans	-59.9	-38.2	177.8	-176	179.6	64.1	-109.1	-6.8	112.9	T461 S462 H467	T461-R465 WeakPolarHBondContact O-CB 3.37Å; T461-R465 PolarHBondContact O-N 3.14Å; S462-R465 PolarHBondContact OG-NH2 3.26Å; R465-H467 VanDerWaalsContact C-N 3.34Å
466	V	77.3	Confident	77.2	Confident	26 Å²	26	64.7 Å²	64.7	16%	0.158	34%	0.339	C	S	.	.	H	α-helix	trans	-78.1	-22.7	176.9	178.1	0	0	0	0	111.7	S462 H463 L464 R487 Y488	S462-V466 VanDerWaalsContact O-CG2 3.31Å; S462-V466 WeakPolarHBondContact O-CG2 3.45Å; S462-V466 PolarHBondContact O-N 3.19Å; H463-V466 PolarHBondContact O-N 3.2Å; L464-V466 VanDerWaalsContact C-N 3.31Å; L464-V466 PolarHBondContact O-N 3.25Å; V466-R487 HydrophobicContact CG1-CG 4.45Å; V466-Y488 HydrophobicContact CG1-CD1 4.19Å; V466-Y488 HydrophobicContact CG1-CE1 3.49Å; V466-Y488 VanDerWaalsContact CG1-CE1 3.49Å; V466-Y488 HydrophobicContact CG1-CE2 4.19Å; V466-Y488 VanDerWaalsContact CG1-CZ 3.47Å
467	H	80.1	Confident	77.6	Confident	23 Å²	23	62.9 Å²	62.9	11%	0.106	33%	0.329	C	S	.	.	H	α-helix	trans	-71.6	-43.2	167.7	173.8	37.6	0	0	0	112.5	C454 F458 H463 L464 R465 R469 T470 H471	C454-H467 PolarHBondContact SG-NE2 3.33Å; F458-H467 HydrophobicContact CE1-CB 4.02Å; F458-H467 HydrophobicContact CE2-CB 3.94Å; F458-H467 AromaticContact CE2-CD2 3.13Å; F458-H467 WeakPolarHBondContact CE2-CD2 3.41Å; F458-H467 AromaticContact CE2-CG 3.71Å; F458-H467 AromaticContact CE2-NE2 3.97Å; F458-H467 HydrophobicContact CZ-CB 3.55Å; F458-H467 AromaticContact CZ-CD2 3.26Å; F458-H467 WeakPolarHBondContact CZ-CD2 3.48Å; F458-H467 AromaticContact CZ-CG 3.37Å; H463-H467 WeakPolarHBondContact O-CB 3.3Å; H463-H467 PolarHBondContact O-N 3.44Å; L464-H467 CarbonylContact O-C 3.51Å; L464-H467 WeakPolarHBondContact O-CA 3.36Å; L464-H467 WeakPolarHBondContact O-CB 3.47Å; L464-H467 PolarHBondContact O-N 2.72Å; R465-H467 VanDerWaalsContact C-N 3.34Å; H467-R469 PolarHBondContact O-N 2.8Å; H467-T470 PolarHBondContact CE1-OG1 2.95Å; H467-T470 PolarHBondContact ND1-OG1 2.87Å; H467-T470 WeakPolarHBondContact O-CB 3.39Å; H467-T470 WeakPolarHBondContact O-CG2 3.37Å; H467-T470 PolarHBondContact O-N 3.28Å; H467-T470 PolarHBondContact O-OG1 3.11Å; H467-H471 AromaticContact CD2-NE2 3.33Å; H467-H471 PolarHBondContact CD2-NE2 3.15Å; H467-H471 VanDerWaalsContact CD2-NE2 3.33Å; H467-H471 AromaticContact CE1-CE1 3.51Å; H467-H471 AromaticContact CE1-NE2 3Å; H467-H471 PolarHBondContact CE1-NE2 2.95Å; H467-H471 AromaticContact ND1-NE2 3.87Å; H467-H471 AromaticContact NE2-CE1 3.79Å; H467-H471 AromaticContact NE2-NE2 2.58Å; H467-H471 PolarHBondContact NE2-NE2 3.38Å
468	G	75.1	Confident	77.4	Confident	15 Å²	15	66.8 Å²	66.8	16%	0.155	34%	0.341	C	S	.	.	H	α-helix	trans	-51.4	-30.9	-179.8	0	0	0	0	0	113.7	L464 T470 H471 T472	L464-G468 PolarHBondContact O-N 2.89Å; G468-T470 PolarHBondContact O-N 2.61Å; G468-H471 PolarHBondContact O-N 3.49Å; G468-T472 PolarHBondContact O-N 3.39Å; G468-T472 VanDerWaalsContact O-N 3.14Å
469	R	81.4	Confident	77.4	Confident	33 Å²	33	64.6 Å²	64.6	13%	0.125	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-4.7	169.3	-57	-171.9	168.8	161.6	0.4	115.8	H467 G473 E474 R487	H467-R469 PolarHBondContact O-N 2.8Å; R469-G473 CarbonylContact O-C 3.55Å; R469-E474 HydrophobicContact CB-CB 3.82Å; R469-E474 HydrophobicContact CG-CB 3.67Å; R469-E474 IonicContact CZ-OE2 3.45Å; R469-E474 IonicContact NE-OE2 3.24Å; R469-E474 PolarHBondContact NE-OE2 3.18Å; R469-E474 IonicContact NH2-OE2 3.62Å; R469-R487 HydrophobicContact CB-CG 3.8Å; R469-R487 HydrophobicContact CG-CG 4.5Å; R469-R487 PolarHBondContact NH1-O 2.9Å; R469-R487 PolarHBondContact O-NE 2.85Å; R469-R487 PolarHBondContact O-NH2 2.85Å
470	T	73.9	Confident	77.2	Confident	61 Å²	61	69.7 Å²	69.7	37%	0.374	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-29.5	167	58.1	0	0	0	0	112.3	H467 G468	H467-T470 PolarHBondContact CE1-OG1 2.95Å; H467-T470 PolarHBondContact ND1-OG1 2.87Å; H467-T470 WeakPolarHBondContact O-CB 3.39Å; H467-T470 WeakPolarHBondContact O-CG2 3.37Å; H467-T470 PolarHBondContact O-N 3.28Å; H467-T470 PolarHBondContact O-OG1 3.11Å; G468-T470 PolarHBondContact O-N 2.61Å
471	H	75.3	Confident	76.5	Confident	75 Å²	75	75.4 Å²	75.4	35%	0.347	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-49.3	-176.3	-46.8	-50.5	0	0	0	109.7	C451 E453 C454 H467 G468 G473	C451-H471 PolarHBondContact SG-NE2 3.32Å; E453-H471 IonicContact OE2-CD2 3.72Å; E453-H471 PolarHBondContact OE2-CD2 3.45Å; E453-H471 IonicContact OE2-CG 2.91Å; C454-H471 WeakPolarHBondContact CB-CE1 3.4Å; C454-H471 PolarHBondContact SG-CE1 3.21Å; C454-H471 PolarHBondContact SG-NE2 3.31Å; H467-H471 AromaticContact CD2-NE2 3.33Å; H467-H471 PolarHBondContact CD2-NE2 3.15Å; H467-H471 VanDerWaalsContact CD2-NE2 3.33Å; H467-H471 AromaticContact CE1-CE1 3.51Å; H467-H471 AromaticContact CE1-NE2 3Å; H467-H471 PolarHBondContact CE1-NE2 2.95Å; H467-H471 AromaticContact ND1-NE2 3.87Å; H467-H471 AromaticContact NE2-CE1 3.79Å; H467-H471 AromaticContact NE2-NE2 2.58Å; H467-H471 PolarHBondContact NE2-NE2 3.38Å; G468-H471 PolarHBondContact O-N 3.49Å; H471-G473 PolarHBondContact O-N 2.8Å; H471-G473 VanDerWaalsContact O-N 3.09Å
472	T	72.3	Confident	76.4	Confident	80 Å²	80	73.8 Å²	73.8	49%	0.491	37%	0.372	S	S	.	.	S	Bend	trans	-70.8	-1.2	174.1	66.7	0	0	0	0	114.3	G468 E474	G468-T472 PolarHBondContact O-N 3.39Å; G468-T472 VanDerWaalsContact O-N 3.14Å; T472-E474 PolarHBondContact O-N 3.47Å; T472-E474 WeakPolarHBondContact OG1-CB 3.29Å; T472-E474 WeakPolarHBondContact OG1-CG 3.44Å; T472-E474 PolarHBondContact OG1-OE1 3.19Å
473	G	72.6	Confident	76.2	Confident	41 Å²	41	73.3 Å²	73.3	42%	0.423	38%	0.375	S	S	.	.			trans	66.8	-11.6	-175.9	0	0	0	0	0	115.9	R469 H471 K475	R469-G473 CarbonylContact O-C 3.55Å; H471-G473 PolarHBondContact O-N 2.8Å; H471-G473 VanDerWaalsContact O-N 3.09Å; G473-K475 PolarHBondContact O-N 3.14Å
474	E	74.8	Confident	76	Confident	84 Å²	84	72.8 Å²	72.8	39%	0.393	37%	0.371	S	S	.	.			trans	-41.2	128.2	-171.2	-96	175.6	-109.1	0	0	115.4	R469 T472 P476	R469-E474 HydrophobicContact CB-CB 3.82Å; R469-E474 HydrophobicContact CG-CB 3.67Å; R469-E474 IonicContact CZ-OE2 3.45Å; R469-E474 IonicContact NE-OE2 3.24Å; R469-E474 PolarHBondContact NE-OE2 3.18Å; R469-E474 IonicContact NH2-OE2 3.62Å; T472-E474 PolarHBondContact O-N 3.47Å; T472-E474 WeakPolarHBondContact OG1-CB 3.29Å; T472-E474 WeakPolarHBondContact OG1-CG 3.44Å; T472-E474 PolarHBondContact OG1-OE1 3.19Å; E474-P476 HydrophobicContact CB-CG 4.29Å; E474-P476 HydrophobicContact CG-CG 4.48Å
475	K	80.4	Confident	75.9	Confident	122 Å²	122	72.3 Å²	72.3	53%	0.53	37%	0.373	S	S	.	.			trans	-131.5	68	175.6	-71.8	156.9	171.6	179.8	0	111.5	G473 Y477 A485 F486	G473-K475 PolarHBondContact O-N 3.14Å; K475-Y477 PolarHBondContact O-N 3.21Å; K475-A485 HydrophobicContact CB-CB 3.51Å; K475-A485 HydrophobicContact CD-CB 4.04Å; K475-A485 VanDerWaalsContact CD-O 3.32Å; K475-A485 WeakPolarHBondContact CD-O 3.21Å; K475-A485 HydrophobicContact CG-CB 4.35Å; K475-A485 WeakPolarHBondContact CG-O 3.22Å; K475-F486 CarbonylContact C-O 3.56Å; K475-F486 WeakPolarHBondContact CA-O 3.17Å
476	P	80.6	Confident	76	Confident	64 Å²	64	67.5 Å²	67.5	42%	0.416	36%	0.356	S	S	.	.			trans	-74.9	19	-166.6	-20.5	37.9	0	0	0	116.2	E474	E474-P476 HydrophobicContact CB-CG 4.29Å; E474-P476 HydrophobicContact CG-CG 4.48Å
477	Y	82.1	Confident	76.1	Confident	76 Å²	76	69.9 Å²	69.9	30%	0.298	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	94	-178.2	-50.9	-62.3	0	0	0	108.6	K475 F486 R487 V489	K475-Y477 PolarHBondContact O-N 3.21Å; Y477-F486 WeakPolarHBondContact CD2-O 3.37Å; Y477-F486 PolarHBondContact N-O 2.88Å; Y477-F486 PolarHBondContact O-N 3.01Å; Y477-R487 WeakPolarHBondContact CE2-O 3.43Å; Y477-V489 HydrophobicContact CD1-CG2 3.55Å; Y477-V489 HydrophobicContact CD2-CG2 4.08Å; Y477-V489 VanDerWaalsContact CD2-N 3.29Å; Y477-V489 HydrophobicContact CE1-CG2 3.37Å; Y477-V489 HydrophobicContact CE2-CG2 3.89Å; Y477-V489 HydrophobicContact CG-CG2 3.91Å
478	E	77.8	Confident	75.9	Confident	120 Å²	120	73 Å²	73	56%	0.561	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.8	-174	-167.8	174.3	155	0	0	112.1	K480 G483 A485	E478-K480 PolarHBondContact O-N 3.39Å; E478-G483 WeakPolarHBondContact OE1-CA 3.35Å; E478-A485 HydrophobicContact CB-CB 4.27Å; E478-A485 HydrophobicContact CG-CB 4.17Å
479	C	78.3	Confident	75.9	Confident	4 Å²	4	75.3 Å²	75.3	3%	0.027	39%	0.385	C	S	.	.			trans	-81.4	109.7	174.6	-175	0	0	0	0	109.9	E481 C482 G483 K484 L492 H495	C479-E481 PolarHBondContact O-N 3.2Å; C479-E481 VanDerWaalsContact O-N 3.17Å; C479-C482 VanDerWaalsContact CB-SG 3.54Å; C479-C482 PolarHBondContact O-N 3.26Å; C479-G483 PolarHBondContact O-N 2.9Å; C479-K484 PolarHBondContact N-O 3.15Å; C479-L492 HydrophobicContact CB-CD1 3.5Å; C479-H495 PolarHBondContact SG-NE2 2.91Å; C479-H495 VanDerWaalsContact SG-NE2 3.42Å
480	K	74.4	Confident	75.5	Confident	197 Å²	197	79 Å²	79	86%	0.857	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-35.5	-178	-65	-172.5	175.2	-170.3	0	113.3	E478 C482	E478-K480 PolarHBondContact O-N 3.39Å; K480-C482 VanDerWaalsContact C-N 3.26Å; K480-C482 PolarHBondContact O-N 2.76Å
481	E	63.6	Low	75.6	Confident	141 Å²	141	80.9 Å²	80.9	66%	0.659	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-8.5	-178	-52.3	-50.5	125.6	0	0	114.4	C479 H501	C479-E481 PolarHBondContact O-N 3.2Å; C479-E481 VanDerWaalsContact O-N 3.17Å; E481-H501 HydrophobicContact CB-CB 4.23Å; E481-H501 PolarHBondContact O-CE1 3.18Å; E481-H501 PolarHBondContact O-ND1 3.18Å; E481-H501 VanDerWaalsContact O-ND1 3.08Å
482	C	71.8	Confident	75.8	Confident	38 Å²	38	78.1 Å²	78.1	26%	0.257	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.9	3	-171.8	77.3	0	0	0	0	118.2	C479 K480 K484 H495 H501	C479-C482 VanDerWaalsContact CB-SG 3.54Å; C479-C482 PolarHBondContact O-N 3.26Å; K480-C482 VanDerWaalsContact C-N 3.26Å; K480-C482 PolarHBondContact O-N 2.76Å; C482-K484 PolarHBondContact O-N 2.83Å; C482-K484 VanDerWaalsContact SG-CB 3.54Å; C482-K484 PolarHBondContact SG-N 2.89Å; C482-H495 PolarHBondContact SG-NE2 3.03Å; C482-H501 WeakPolarHBondContact CB-CE1 3.28Å; C482-H501 WeakPolarHBondContact CB-NE2 3.48Å
483	G	70.3	Confident	75.7	Confident	41 Å²	41	79.6 Å²	79.6	42%	0.423	40%	0.395	S	S	.	.			trans	66.2	3.2	-178.6	0	0	0	0	0	115.8	E478 C479 A485	E478-G483 WeakPolarHBondContact OE1-CA 3.35Å; C479-G483 PolarHBondContact O-N 2.9Å; G483-A485 PolarHBondContact O-N 3.02Å; G483-A485 VanDerWaalsContact O-N 3.15Å
484	K	74.6	Confident	75.4	Confident	102 Å²	102	82.2 Å²	82.2	44%	0.443	40%	0.398	S	S	.	.			trans	-73.4	112.8	179.1	-70.5	171.4	-175.3	158.1	0	109.7	C479 C482 F486	C479-K484 PolarHBondContact N-O 3.15Å; C482-K484 PolarHBondContact O-N 2.83Å; C482-K484 VanDerWaalsContact SG-CB 3.54Å; C482-K484 PolarHBondContact SG-N 2.89Å; K484-F486 HydrophobicContact CB-CE2 3.81Å; K484-F486 HydrophobicContact CB-CZ 4.05Å; K484-F486 VanDerWaalsContact O-CD2 3.27Å; K484-F486 WeakPolarHBondContact O-CD2 3.15Å; K484-F486 WeakPolarHBondContact O-CE2 3.27Å
485	A	79.6	Confident	75.2	Confident	29 Å²	29	78.8 Å²	78.8	24%	0.24	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.9	-177.9	0	0	0	0	0	112.9	K475 E478 G483	K475-A485 HydrophobicContact CB-CB 3.51Å; K475-A485 HydrophobicContact CD-CB 4.04Å; K475-A485 VanDerWaalsContact CD-O 3.32Å; K475-A485 WeakPolarHBondContact CD-O 3.21Å; K475-A485 HydrophobicContact CG-CB 4.35Å; K475-A485 WeakPolarHBondContact CG-O 3.22Å; E478-A485 HydrophobicContact CB-CB 4.27Å; E478-A485 HydrophobicContact CG-CB 4.17Å; G483-A485 PolarHBondContact O-N 3.02Å; G483-A485 VanDerWaalsContact O-N 3.15Å
486	F	80.4	Confident	74.5	Confident	46 Å²	46	78 Å²	78	20%	0.202	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148	-174.8	-62	-89.1	0	0	0	113.2	K475 Y477 K484 Y488 H491 L492 H495	K475-F486 CarbonylContact C-O 3.56Å; K475-F486 WeakPolarHBondContact CA-O 3.17Å; Y477-F486 WeakPolarHBondContact CD2-O 3.37Å; Y477-F486 PolarHBondContact N-O 2.88Å; Y477-F486 PolarHBondContact O-N 3.01Å; K484-F486 HydrophobicContact CB-CE2 3.81Å; K484-F486 HydrophobicContact CB-CZ 4.05Å; K484-F486 VanDerWaalsContact O-CD2 3.27Å; K484-F486 WeakPolarHBondContact O-CD2 3.15Å; K484-F486 WeakPolarHBondContact O-CE2 3.27Å; F486-Y488 VanDerWaalsContact C-N 3.3Å; F486-Y488 PolarHBondContact O-N 3.48Å; F486-H491 HydrophobicContact CB-CB 4.27Å; F486-H491 HydrophobicContact CD1-CB 3.85Å; F486-H491 HydrophobicContact CG-CB 4.31Å; F486-L492 HydrophobicContact CB-CB 4.3Å; F486-L492 HydrophobicContact CD2-CB 3.91Å; F486-L492 HydrophobicContact CD2-CD1 3.93Å; F486-L492 HydrophobicContact CE2-CD1 4.17Å; F486-L492 HydrophobicContact CG-CB 4.29Å; F486-H495 HydrophobicContact CE1-CB 4.03Å; F486-H495 HydrophobicContact CE2-CB 3.82Å; F486-H495 AromaticContact CE2-CD2 3.28Å; F486-H495 WeakPolarHBondContact CE2-CD2 3.5Å; F486-H495 AromaticContact CE2-CG 3.55Å; F486-H495 HydrophobicContact CZ-CB 3.41Å; F486-H495 VanDerWaalsContact CZ-CB 3.41Å; F486-H495 AromaticContact CZ-CD2 3.52Å; F486-H495 AromaticContact CZ-CG 3.27Å; F486-H495 AromaticContact CZ-ND1 3.91Å
487	R	78.5	Confident	73.7	Confident	75 Å²	75	81 Å²	81	28%	0.283	38%	0.383	S	S	.	.	S	Bend	trans	-73.8	-18.4	175.7	-171.9	174.9	-66.9	132	4	113.9	V466 R469 Y477	V466-R487 HydrophobicContact CG1-CG 4.45Å; R469-R487 HydrophobicContact CB-CG 3.8Å; R469-R487 HydrophobicContact CG-CG 4.5Å; R469-R487 PolarHBondContact NH1-O 2.9Å; R469-R487 PolarHBondContact O-NE 2.85Å; R469-R487 PolarHBondContact O-NH2 2.85Å; Y477-R487 WeakPolarHBondContact CE2-O 3.43Å
488	Y	75.3	Confident	72.5	Confident	90 Å²	90	79.9 Å²	79.9	35%	0.353	39%	0.385	S	S	.	.	S	Bend	trans	-135.5	134.5	-176.2	-64.1	-96.5	0	0	0	112	V466 F486 K490 H491 L492	V466-Y488 HydrophobicContact CG1-CD1 4.19Å; V466-Y488 HydrophobicContact CG1-CE1 3.49Å; V466-Y488 VanDerWaalsContact CG1-CE1 3.49Å; V466-Y488 HydrophobicContact CG1-CE2 4.19Å; V466-Y488 VanDerWaalsContact CG1-CZ 3.47Å; F486-Y488 VanDerWaalsContact C-N 3.3Å; F486-Y488 PolarHBondContact O-N 3.48Å; Y488-K490 VanDerWaalsContact C-N 3.28Å; Y488-K490 PolarHBondContact O-N 3.29Å; Y488-H491 AromaticContact CD2-CE1 3.78Å; Y488-H491 AromaticContact CD2-ND1 3.5Å; Y488-H491 AromaticContact CE2-CE1 3.95Å; Y488-H491 WeakPolarHBondContact O-CB 3.37Å; Y488-H491 PolarHBondContact O-N 3.01Å; Y488-L492 PolarHBondContact O-N 2.99Å
489	V	75.9	Confident	71.5	Confident	62 Å²	62	79 Å²	79	38%	0.376	38%	0.381	S	S	.	.	H	α-helix	trans	-51.4	-46	172.5	-175.6	0	0	0	0	111.8	Y477 H491 L492 Q493	Y477-V489 HydrophobicContact CD1-CG2 3.55Å; Y477-V489 HydrophobicContact CD2-CG2 4.08Å; Y477-V489 VanDerWaalsContact CD2-N 3.29Å; Y477-V489 HydrophobicContact CE1-CG2 3.37Å; Y477-V489 HydrophobicContact CE2-CG2 3.89Å; Y477-V489 HydrophobicContact CG-CG2 3.91Å; V489-H491 PolarHBondContact O-N 3.18Å; V489-L492 WeakPolarHBondContact O-CB 3.22Å; V489-L492 PolarHBondContact O-N 3.44Å; V489-L492 VanDerWaalsContact O-N 3.13Å; V489-Q493 HydrophobicContact CG1-CG 4.09Å; V489-Q493 WeakPolarHBondContact O-CG 3.3Å; V489-Q493 PolarHBondContact O-N 3.11Å
490	K	74	Confident	70.4	Confident	110 Å²	110	87.8 Å²	87.8	48%	0.478	42%	0.418	S	S	.	.	H	α-helix	trans	-61.3	-16.4	178.3	60.7	151.4	-174.3	174.6	0	114.9	Y488 I494	Y488-K490 VanDerWaalsContact C-N 3.28Å; Y488-K490 PolarHBondContact O-N 3.29Å; K490-I494 VanDerWaalsContact O-CD1 3.25Å; K490-I494 WeakPolarHBondContact O-CD1 3.34Å; K490-I494 WeakPolarHBondContact O-CG1 3.44Å
491	H	76.1	Confident	69.4	Low	102 Å²	102	82.6 Å²	82.6	47%	0.472	40%	0.397	S	S	.	.	H	α-helix	trans	-92.2	-37.5	176.3	-67.2	169.2	0	0	0	110.6	F486 Y488 V489 I494 H495	F486-H491 HydrophobicContact CB-CB 4.27Å; F486-H491 HydrophobicContact CD1-CB 3.85Å; F486-H491 HydrophobicContact CG-CB 4.31Å; Y488-H491 AromaticContact CD2-CE1 3.78Å; Y488-H491 AromaticContact CD2-ND1 3.5Å; Y488-H491 AromaticContact CE2-CE1 3.95Å; Y488-H491 WeakPolarHBondContact O-CB 3.37Å; Y488-H491 PolarHBondContact O-N 3.01Å; V489-H491 PolarHBondContact O-N 3.18Å; H491-I494 PolarHBondContact O-N 2.99Å; H491-H495 VanDerWaalsContact O-CB 3.29Å; H491-H495 WeakPolarHBondContact O-CB 3.42Å; H491-H495 PolarHBondContact O-N 2.84Å
492	L	77.8	Confident	68.3	Low	16 Å²	16	82.8 Å²	82.8	8%	0.084	40%	0.401	C	S	.	.	H	α-helix	trans	-56.8	-52.6	165.4	174.3	61.1	0	0	0	110.8	C479 F486 Y488 V489 I494 H495 E496	C479-L492 HydrophobicContact CB-CD1 3.5Å; F486-L492 HydrophobicContact CB-CB 4.3Å; F486-L492 HydrophobicContact CD2-CB 3.91Å; F486-L492 HydrophobicContact CD2-CD1 3.93Å; F486-L492 HydrophobicContact CE2-CD1 4.17Å; F486-L492 HydrophobicContact CG-CB 4.29Å; Y488-L492 PolarHBondContact O-N 2.99Å; V489-L492 WeakPolarHBondContact O-CB 3.22Å; V489-L492 PolarHBondContact O-N 3.44Å; V489-L492 VanDerWaalsContact O-N 3.13Å; L492-I494 PolarHBondContact O-N 2.85Å; L492-I494 VanDerWaalsContact O-N 3.16Å; L492-H495 CarbonylContact O-C 3.51Å; L492-H495 WeakPolarHBondContact O-CA 3.38Å; L492-H495 WeakPolarHBondContact O-CB 3.43Å; L492-H495 PolarHBondContact O-N 3.26Å; L492-E496 HydrophobicContact CD1-CG 3.75Å; L492-E496 WeakPolarHBondContact CD1-OE1 3.36Å; L492-E496 HydrophobicContact CG-CG 4.14Å; L492-E496 WeakPolarHBondContact CG-OE1 3.45Å; L492-E496 WeakPolarHBondContact O-CG 3.39Å; L492-E496 PolarHBondContact O-N 3.41Å
493	Q	71.2	Confident	67.7	Low	112 Å²	112	92.7 Å²	92.7	52%	0.523	43%	0.433	S	S	.	.	H	α-helix	trans	-61.7	-23.7	177.9	-71	177.5	-37.8	0	0	115.3	V489 E496 R497	V489-Q493 HydrophobicContact CG1-CG 4.09Å; V489-Q493 WeakPolarHBondContact O-CG 3.3Å; V489-Q493 PolarHBondContact O-N 3.11Å; Q493-E496 VanDerWaalsContact CA-OE2 3.3Å; Q493-E496 WeakPolarHBondContact CA-OE2 3.45Å; Q493-R497 VanDerWaalsContact O-CB 3.31Å; Q493-R497 WeakPolarHBondContact O-CB 3.41Å
494	I	65.5	Low	66.2	Low	95 Å²	95	98 Å²	98	49%	0.487	45%	0.449	S	S	.	.	H	α-helix	trans	-79.5	-46.5	170.3	-73.6	169	0	0	0	109	K490 H491 L492 R497 T498	K490-I494 VanDerWaalsContact O-CD1 3.25Å; K490-I494 WeakPolarHBondContact O-CD1 3.34Å; K490-I494 WeakPolarHBondContact O-CG1 3.44Å; H491-I494 PolarHBondContact O-N 2.99Å; L492-I494 PolarHBondContact O-N 2.85Å; L492-I494 VanDerWaalsContact O-N 3.16Å; I494-R497 CarbonylContact O-C 3.25Å; I494-R497 WeakPolarHBondContact O-CA 3.44Å; I494-R497 WeakPolarHBondContact O-CB 3.3Å; I494-R497 PolarHBondContact O-N 3.2Å; I494-T498 HydrophobicContact CG2-CG2 4.09Å; I494-T498 WeakPolarHBondContact O-CB 3.35Å; I494-T498 VanDerWaalsContact O-CG2 3.31Å; I494-T498 WeakPolarHBondContact O-CG2 3.28Å; I494-T498 PolarHBondContact O-N 3.47Å; I494-T498 PolarHBondContact O-OG1 3.06Å
495	H	71.4	Confident	64.7	Low	12 Å²	12	98.8 Å²	98.8	6%	0.056	46%	0.464	C	S	.	.	H	α-helix	trans	-60.6	-48.7	-179.6	163.2	63	0	0	0	113.3	C479 C482 F486 H491 L492 R497 T498 E499	C479-H495 PolarHBondContact SG-NE2 2.91Å; C479-H495 VanDerWaalsContact SG-NE2 3.42Å; C482-H495 PolarHBondContact SG-NE2 3.03Å; F486-H495 HydrophobicContact CE1-CB 4.03Å; F486-H495 HydrophobicContact CE2-CB 3.82Å; F486-H495 AromaticContact CE2-CD2 3.28Å; F486-H495 WeakPolarHBondContact CE2-CD2 3.5Å; F486-H495 AromaticContact CE2-CG 3.55Å; F486-H495 HydrophobicContact CZ-CB 3.41Å; F486-H495 VanDerWaalsContact CZ-CB 3.41Å; F486-H495 AromaticContact CZ-CD2 3.52Å; F486-H495 AromaticContact CZ-CG 3.27Å; F486-H495 AromaticContact CZ-ND1 3.91Å; H491-H495 VanDerWaalsContact O-CB 3.29Å; H491-H495 WeakPolarHBondContact O-CB 3.42Å; H491-H495 PolarHBondContact O-N 2.84Å; L492-H495 CarbonylContact O-C 3.51Å; L492-H495 WeakPolarHBondContact O-CA 3.38Å; L492-H495 WeakPolarHBondContact O-CB 3.43Å; L492-H495 PolarHBondContact O-N 3.26Å; H495-R497 PolarHBondContact O-N 3.49Å; H495-R497 VanDerWaalsContact O-N 3.12Å; H495-T498 PolarHBondContact O-N 2.88Å; H495-E499 WeakPolarHBondContact ND1-CG 3.46Å; H495-E499 PolarHBondContact O-N 3.41Å
496	E	66.4	Low	63.2	Low	107 Å²	107	102.5 Å²	102.5	50%	0.5	49%	0.488	S	S	.	.	H	α-helix	trans	-53.9	-28.6	172	-69.4	165.7	154.7	0	0	112	L492 Q493	L492-E496 HydrophobicContact CD1-CG 3.75Å; L492-E496 WeakPolarHBondContact CD1-OE1 3.36Å; L492-E496 HydrophobicContact CG-CG 4.14Å; L492-E496 WeakPolarHBondContact CG-OE1 3.45Å; L492-E496 WeakPolarHBondContact O-CG 3.39Å; L492-E496 PolarHBondContact O-N 3.41Å; Q493-E496 VanDerWaalsContact CA-OE2 3.3Å; Q493-E496 WeakPolarHBondContact CA-OE2 3.45Å
497	R	62.9	Low	62	Low	125 Å²	125	103 Å²	103	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-93.6	-12.6	-179.7	178.9	179.2	-70.5	-168.1	-4.2	113.4	Q493 I494 H495 Y521	Q493-R497 VanDerWaalsContact O-CB 3.31Å; Q493-R497 WeakPolarHBondContact O-CB 3.41Å; I494-R497 CarbonylContact O-C 3.25Å; I494-R497 WeakPolarHBondContact O-CA 3.44Å; I494-R497 WeakPolarHBondContact O-CB 3.3Å; I494-R497 PolarHBondContact O-N 3.2Å; H495-R497 PolarHBondContact O-N 3.49Å; H495-R497 VanDerWaalsContact O-N 3.12Å; R497-Y521 HydrophobicContact CG-CD1 3.38Å; R497-Y521 HydrophobicContact CG-CE1 3.96Å; R497-Y521 HydrophobicContact CG-CG 4Å; R497-Y521 PolarHBondContact NH1-O 3.27Å; R497-Y521 WeakPolarHBondContact O-CE1 3.39Å
498	T	56.7	Low	61.1	Low	54 Å²	54	107.1 Å²	107.1	33%	0.331	53%	0.529	S	S	.	.	H	α-helix	trans	-121	-23.1	-173.7	59.4	0	0	0	0	115.8	I494 H495 Y521	I494-T498 HydrophobicContact CG2-CG2 4.09Å; I494-T498 WeakPolarHBondContact O-CB 3.35Å; I494-T498 VanDerWaalsContact O-CG2 3.31Å; I494-T498 WeakPolarHBondContact O-CG2 3.28Å; I494-T498 PolarHBondContact O-N 3.47Å; I494-T498 PolarHBondContact O-OG1 3.06Å; H495-T498 PolarHBondContact O-N 2.88Å; T498-Y521 HydrophobicContact CG2-CD2 3.82Å; T498-Y521 HydrophobicContact CG2-CE2 4.07Å; T498-Y521 HydrophobicContact CG2-CG 4.25Å
499	E	56.9	Low	60.6	Low	102 Å²	102	107.9 Å²	107.9	48%	0.477	53%	0.531	S	S	.	.	S	Bend	trans	-101.7	149.1	-174.4	-69.8	-59	150.7	0	0	113.8	H495 H501	H495-E499 WeakPolarHBondContact ND1-CG 3.46Å; H495-E499 PolarHBondContact O-N 3.41Å; E499-H501 PolarHBondContact O-N 3.11Å; E499-H501 VanDerWaalsContact O-N 3.1Å
500	K	54.9	Low	60.3	Low	187 Å²	187	108.5 Å²	108.5	81%	0.813	54%	0.536	S	S	*	.			trans	-88.7	73.8	-158.3	-57.8	175.1	-176	174.7	0	114	I502	K500-I502 PolarHBondContact O-N 2.9Å
501	H	52.8	Low	60.2	Low	88 Å²	88	107.6 Å²	107.6	41%	0.407	53%	0.531	S	S	.	.	S	Bend	trans	-86.8	92	170	-71.6	-82.5	0	0	0	109.4	E481 C482 E499	E481-H501 HydrophobicContact CB-CB 4.23Å; E481-H501 PolarHBondContact O-CE1 3.18Å; E481-H501 PolarHBondContact O-ND1 3.18Å; E481-H501 VanDerWaalsContact O-ND1 3.08Å; C482-H501 WeakPolarHBondContact CB-CE1 3.28Å; C482-H501 WeakPolarHBondContact CB-NE2 3.48Å; E499-H501 PolarHBondContact O-N 3.11Å; E499-H501 VanDerWaalsContact O-N 3.1Å
502	I	42.1	Very low	60.3	Low	146 Å²	146	109.5 Å²	109.5	75%	0.749	54%	0.537	S	S	*	.	S	Bend	trans	76.8	147.3	-174.7	-50.6	173.3	0	0	0	114.6	K500 M504	K500-I502 PolarHBondContact O-N 2.9Å; I502-M504 HydrophobicContact CG2-CB 4.15Å; I502-M504 HydrophobicContact CG2-CG 4.02Å
503	R	59.3	Low	60.5	Low	246 Å²	246	109 Å²	109	93%	0.928	54%	0.535	S	S	*	.			trans	-95	77.6	178.9	-179.2	-170	-174.1	-178.7	0.9	109.1
504	M	37.8	Very low	60.9	Low	153 Å²	153	109.1 Å²	109.1	75%	0.754	55%	0.549	S	S	*	.			trans	-143.8	167.8	-174.5	-94.1	-47.8	-164.7	0	0	113	I502 S506	I502-M504 HydrophobicContact CG2-CB 4.15Å; I502-M504 HydrophobicContact CG2-CG 4.02Å; M504-S506 PolarHBondContact O-N 3.41Å
505	P	42.7	Very low	61.6	Low	117 Å²	117	109.9 Å²	109.9	76%	0.76	55%	0.552	S	S	*	*	S	Bend	trans	-88.4	-14.9	-131.4	-16.3	33.5	0	0	0	118.2	G507	P505-G507 VanDerWaalsContact C-N 3.34Å; P505-G507 PolarHBondContact O-N 2.89Å
506	S	48.2	Very low	62	Low	107 Å²	107	111.2 Å²	111.2	75%	0.748	56%	0.563	S	S	*	*			trans	-77.7	78.2	-170.6	43.2	0	0	0	0	112.9	M504 E508	M504-S506 PolarHBondContact O-N 3.41Å; S506-E508 PolarHBondContact O-N 3.02Å
507	G	54.6	Low	62.4	Low	56 Å²	56	114.3 Å²	114.3	58%	0.577	58%	0.577	S	S	*	*			trans	-68.6	47.1	177.1	0	0	0	0	0	115.4	P505 R509	P505-G507 VanDerWaalsContact C-N 3.34Å; P505-G507 PolarHBondContact O-N 2.89Å; G507-R509 VanDerWaalsContact C-N 3.27Å; G507-R509 PolarHBondContact O-N 2.91Å
508	E	61.3	Low	63	Low	162 Å²	162	114.3 Å²	114.3	76%	0.757	58%	0.581	S	S	*	*			trans	-72.9	78.1	180	-70.7	-152.6	169.3	0	0	112.6	S506 P510	S506-E508 PolarHBondContact O-N 3.02Å; E508-P510 WeakPolarHBondContact O-CD 3.48Å
509	R	63.9	Low	64	Low	106 Å²	106	112.1 Å²	112.1	40%	0.4	57%	0.569	S	S	.	*			trans	-86.8	105.4	157.9	-53.5	-158.8	-178.1	163.7	7.5	107.1	G507 Y511 K512 G519 F520 Y521	G507-R509 VanDerWaalsContact C-N 3.27Å; G507-R509 PolarHBondContact O-N 2.91Å; R509-Y511 PolarHBondContact O-N 2.84Å; R509-K512 WeakPolarHBondContact O-CG 3.3Å; R509-G519 WeakPolarHBondContact CD-O 3.45Å; R509-G519 PolarHBondContact NH1-O 3.24Å; R509-F520 CarbonylContact C-O 3.54Å; R509-Y521 HydrophobicContact CB-CD1 4.45Å; R509-Y521 HydrophobicContact CB-CE1 4.3Å; R509-Y521 HydrophobicContact CG-CD1 4.21Å; R509-Y521 HydrophobicContact CG-CE1 3.6Å; R509-Y521 PolarHBondContact NE-OH 3.41Å
510	P	68.9	Low	64.9	Low	75 Å²	75	109.5 Å²	109.5	49%	0.487	56%	0.556	S	S	.	*	S	Bend	trans	-67.3	-11.6	-164.1	-23.7	35.8	0	0	0	115.2	E508	E508-P510 WeakPolarHBondContact O-CD 3.48Å
511	Y	72.8	Confident	65.5	Low	92 Å²	92	104.5 Å²	104.5	36%	0.361	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	87.6	179.3	-52.9	-88.3	0	0	0	108.8	R509 G519 F520 A523 F526	R509-Y511 PolarHBondContact O-N 2.84Å; Y511-G519 CarbonylContact O-C 3.51Å; Y511-G519 WeakPolarHBondContact O-CA 3.39Å; Y511-F520 PolarHBondContact N-O 2.85Å; Y511-F520 PolarHBondContact O-N 3.16Å; Y511-A523 HydrophobicContact CD1-CB 4.08Å; Y511-A523 HydrophobicContact CE1-CB 3.52Å; Y511-A523 HydrophobicContact CE2-CB 4.36Å; Y511-F526 HydrophobicContact CG-CB 4.2Å; Y511-F526 HydrophobicContact CG-CG 4.48Å
512	K	78.2	Confident	66.5	Low	141 Å²	141	102.9 Å²	102.9	61%	0.613	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.3	178.4	-63	-175.2	-176.8	176.9	0	110.9	R509 F526	R509-K512 WeakPolarHBondContact O-CG 3.3Å; K512-F526 WeakPolarHBondContact O-CE2 3.49Å
513	C	81.6	Confident	68	Low	5 Å²	5	97.5 Å²	97.5	3%	0.034	51%	0.509	C	S	.	.			trans	-82.9	121.6	172.5	-177.8	0	0	0	0	110.9	I515 E517 K518 F526 H533	C513-I515 VanDerWaalsContact C-N 3.26Å; C513-I515 PolarHBondContact O-N 3.5Å; C513-E517 WeakPolarHBondContact O-CA 3.49Å; C513-E517 PolarHBondContact O-N 2.59Å; C513-K518 WeakPolarHBondContact CB-O 3.34Å; C513-K518 PolarHBondContact N-O 2.87Å; C513-F526 HydrophobicContact CB-CE2 4.15Å; C513-H533 PolarHBondContact SG-CD2 3.49Å; C513-H533 PolarHBondContact SG-NE2 2.63Å
514	S	79.6	Confident	68.9	Low	116 Å²	116	93.3 Å²	93.3	81%	0.811	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-30.4	175.4	44.8	0	0	0	0	113.7
515	I	79.7	Confident	70.7	Confident	110 Å²	110	88.7 Å²	88.7	56%	0.564	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-18.8	-171.4	-58.8	168.5	0	0	0	112.8	C513 H533	C513-I515 VanDerWaalsContact C-N 3.26Å; C513-I515 PolarHBondContact O-N 3.5Å; I515-H533 HydrophobicContact CB-CB 4.37Å; I515-H533 HydrophobicContact CD1-CB 3.56Å; I515-H533 HydrophobicContact CG2-CB 3.99Å
516	C	81	Confident	72.6	Confident	41 Å²	41	84.6 Å²	84.6	28%	0.277	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.9	18.1	-179.5	74.7	0	0	0	0	115.1	K518 H529 H533	C516-K518 PolarHBondContact O-N 2.99Å; C516-H529 VanDerWaalsContact SG-CE1 3.52Å; C516-H529 PolarHBondContact SG-NE2 3.23Å; C516-H533 PolarHBondContact SG-CE1 3.02Å; C516-H533 PolarHBondContact SG-NE2 3.35Å
517	E	74.8	Confident	74.1	Confident	172 Å²	172	84.7 Å²	84.7	80%	0.804	44%	0.439	S	S	*	.			trans	56.2	-3.1	176.7	-53.1	-167.3	140.1	0	0	117.1	C513 G519	C513-E517 WeakPolarHBondContact O-CA 3.49Å; C513-E517 PolarHBondContact O-N 2.59Å; E517-G519 PolarHBondContact O-N 3Å
518	K	75.6	Confident	75.3	Confident	125 Å²	125	85 Å²	85	54%	0.543	43%	0.429	S	S	.	.			trans	-60.6	110.8	176.6	-73.7	169.4	-169.7	152.9	0	109.6	C513 C516 F520	C513-K518 WeakPolarHBondContact CB-O 3.34Å; C513-K518 PolarHBondContact N-O 2.87Å; C516-K518 PolarHBondContact O-N 2.99Å; K518-F520 HydrophobicContact CB-CE2 3.78Å; K518-F520 HydrophobicContact CB-CZ 4.2Å; K518-F520 VanDerWaalsContact O-CD2 3.26Å; K518-F520 WeakPolarHBondContact O-CD2 3.43Å; K518-F520 WeakPolarHBondContact O-CE2 3.33Å
519	G	76.8	Confident	76.3	Confident	8 Å²	8	78.2 Å²	78.2	8%	0.082	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	148.6	170.2	0	0	0	0	0	113	R509 Y511 E517	R509-G519 WeakPolarHBondContact CD-O 3.45Å; R509-G519 PolarHBondContact NH1-O 3.24Å; Y511-G519 CarbonylContact O-C 3.51Å; Y511-G519 WeakPolarHBondContact O-CA 3.39Å; E517-G519 PolarHBondContact O-N 3Å
520	F	76.1	Confident	77.1	Confident	46 Å²	46	77 Å²	77	20%	0.202	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.6	179.2	-64.6	-96.9	0	0	0	111	R509 Y511 K518 F526 H529	R509-F520 CarbonylContact C-O 3.54Å; Y511-F520 PolarHBondContact N-O 2.85Å; Y511-F520 PolarHBondContact O-N 3.16Å; K518-F520 HydrophobicContact CB-CE2 3.78Å; K518-F520 HydrophobicContact CB-CZ 4.2Å; K518-F520 VanDerWaalsContact O-CD2 3.26Å; K518-F520 WeakPolarHBondContact O-CD2 3.43Å; K518-F520 WeakPolarHBondContact O-CE2 3.33Å; F520-F526 HydrophobicContact CB-CB 4.09Å; F520-F526 HydrophobicContact CD2-CD2 4.11Å; F520-F526 HydrophobicContact CG-CB 4.37Å; F520-H529 HydrophobicContact CE1-CB 3.88Å; F520-H529 HydrophobicContact CE2-CB 3.85Å; F520-H529 AromaticContact CE2-CD2 3.06Å; F520-H529 WeakPolarHBondContact CE2-CD2 3.24Å; F520-H529 AromaticContact CE2-CG 3.47Å; F520-H529 VanDerWaalsContact CE2-CG 3.47Å; F520-H529 AromaticContact CE2-NE2 3.77Å; F520-H529 HydrophobicContact CZ-CB 3.45Å; F520-H529 VanDerWaalsContact CZ-CB 3.45Å; F520-H529 AromaticContact CZ-CD2 3.37Å; F520-H529 WeakPolarHBondContact CZ-CD2 3.48Å; F520-H529 AromaticContact CZ-CG 3.23Å; F520-H529 AromaticContact CZ-ND1 3.92Å
521	Y	68.1	Low	77.8	Confident	83 Å²	83	76 Å²	76	33%	0.325	38%	0.384	S	S	.	.	S	Bend	trans	-92.3	-0.2	-176.8	-60.4	-68.2	0	0	0	114.1	R497 T498 R509	R497-Y521 HydrophobicContact CG-CD1 3.38Å; R497-Y521 HydrophobicContact CG-CE1 3.96Å; R497-Y521 HydrophobicContact CG-CG 4Å; R497-Y521 PolarHBondContact NH1-O 3.27Å; R497-Y521 WeakPolarHBondContact O-CE1 3.39Å; T498-Y521 HydrophobicContact CG2-CD2 3.82Å; T498-Y521 HydrophobicContact CG2-CE2 4.07Å; T498-Y521 HydrophobicContact CG2-CG 4.25Å; R509-Y521 HydrophobicContact CB-CD1 4.45Å; R509-Y521 HydrophobicContact CB-CE1 4.3Å; R509-Y521 HydrophobicContact CG-CD1 4.21Å; R509-Y521 HydrophobicContact CG-CE1 3.6Å; R509-Y521 PolarHBondContact NE-OH 3.41Å
522	S	72.4	Confident	78.2	Confident	53 Å²	53	74.2 Å²	74.2	37%	0.371	38%	0.383	S	S	.	.	S	Bend	trans	-151.1	130.3	-172.2	170.5	0	0	0	0	111	K524 S525 F526	S522-K524 VanDerWaalsContact C-N 3.27Å; S522-K524 PolarHBondContact O-N 3.26Å; S522-S525 WeakPolarHBondContact O-CB 3.35Å; S522-S525 PolarHBondContact O-N 2.8Å; S522-S525 VanDerWaalsContact O-N 3.08Å; S522-F526 PolarHBondContact O-N 3.07Å
523	A	75.1	Confident	78.3	Confident	34 Å²	34	70.6 Å²	70.6	28%	0.281	37%	0.368	S	S	.	.	H	α-helix	trans	-53.7	-41.2	178.1	0	0	0	0	0	112.9	Y511 S525 F526 Q527	Y511-A523 HydrophobicContact CD1-CB 4.08Å; Y511-A523 HydrophobicContact CE1-CB 3.52Å; Y511-A523 HydrophobicContact CE2-CB 4.36Å; A523-S525 PolarHBondContact O-N 3.19Å; A523-F526 WeakPolarHBondContact O-CB 3.43Å; A523-F526 PolarHBondContact O-N 2.81Å; A523-Q527 WeakPolarHBondContact O-CG 3.29Å; A523-Q527 PolarHBondContact O-N 3.22Å
524	K	76.6	Confident	78.1	Confident	158 Å²	158	74.2 Å²	74.2	69%	0.687	39%	0.39	S	S	*	.	H	α-helix	trans	-67.2	-37.2	179.9	-176.8	166.1	-176.6	165.6	0	112.1	S522 T528	S522-K524 VanDerWaalsContact C-N 3.27Å; S522-K524 PolarHBondContact O-N 3.26Å; K524-T528 WeakPolarHBondContact O-CG2 3.31Å; K524-T528 PolarHBondContact O-N 3.04Å; K524-T528 VanDerWaalsContact O-N 3.14Å; K524-T528 PolarHBondContact O-OG1 3.02Å; K524-T528 VanDerWaalsContact O-OG1 3.08Å
525	S	77.7	Confident	78	Confident	55 Å²	55	70.6 Å²	70.6	39%	0.385	37%	0.371	S	S	.	.	H	α-helix	trans	-68.2	-40.7	175.8	-59.4	0	0	0	0	111	S522 A523 T528 H529	S522-S525 WeakPolarHBondContact O-CB 3.35Å; S522-S525 PolarHBondContact O-N 2.8Å; S522-S525 VanDerWaalsContact O-N 3.08Å; A523-S525 PolarHBondContact O-N 3.19Å; S525-T528 WeakPolarHBondContact CA-OG1 3.45Å; S525-T528 PolarHBondContact O-N 3.01Å; S525-T528 PolarHBondContact O-OG1 2.85Å; S525-H529 PolarHBondContact O-N 2.97Å; S525-H529 VanDerWaalsContact O-N 3.12Å
526	F	81.4	Confident	78	Confident	32 Å²	32	69 Å²	69	14%	0.14	36%	0.361	C	S	.	.	H	α-helix	trans	-59.2	-54.1	173.3	174.1	-102.2	0	0	0	112.2	Y511 K512 C513 F520 S522 A523 T528 H529 E530	Y511-F526 HydrophobicContact CG-CB 4.2Å; Y511-F526 HydrophobicContact CG-CG 4.48Å; K512-F526 WeakPolarHBondContact O-CE2 3.49Å; C513-F526 HydrophobicContact CB-CE2 4.15Å; F520-F526 HydrophobicContact CB-CB 4.09Å; F520-F526 HydrophobicContact CD2-CD2 4.11Å; F520-F526 HydrophobicContact CG-CB 4.37Å; S522-F526 PolarHBondContact O-N 3.07Å; A523-F526 WeakPolarHBondContact O-CB 3.43Å; A523-F526 PolarHBondContact O-N 2.81Å; F526-T528 VanDerWaalsContact C-N 3.27Å; F526-T528 PolarHBondContact O-N 3Å; F526-H529 CarbonylContact O-C 3.55Å; F526-H529 WeakPolarHBondContact O-CA 3.49Å; F526-H529 WeakPolarHBondContact O-CB 3.4Å; F526-H529 PolarHBondContact O-N 2.91Å; F526-E530 PolarHBondContact O-N 2.98Å
527	Q	79.3	Confident	78.1	Confident	109 Å²	109	72.7 Å²	72.7	51%	0.509	37%	0.373	S	S	.	.	H	α-helix	trans	-58.7	-35.2	177.8	-72.4	171.8	-23.5	0	0	113	A523 H529 K531	A523-Q527 WeakPolarHBondContact O-CG 3.29Å; A523-Q527 PolarHBondContact O-N 3.22Å; Q527-H529 VanDerWaalsContact C-N 3.26Å; Q527-H529 PolarHBondContact O-N 3.32Å; Q527-K531 WeakPolarHBondContact O-CG 3.11Å
528	T	79.9	Confident	78.5	Confident	61 Å²	61	68 Å²	68	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-73.7	-15.7	173.1	53.4	0	0	0	0	114.1	K524 S525 F526 R549 C550	K524-T528 WeakPolarHBondContact O-CG2 3.31Å; K524-T528 PolarHBondContact O-N 3.04Å; K524-T528 VanDerWaalsContact O-N 3.14Å; K524-T528 PolarHBondContact O-OG1 3.02Å; K524-T528 VanDerWaalsContact O-OG1 3.08Å; S525-T528 WeakPolarHBondContact CA-OG1 3.45Å; S525-T528 PolarHBondContact O-N 3.01Å; S525-T528 PolarHBondContact O-OG1 2.85Å; F526-T528 VanDerWaalsContact C-N 3.27Å; F526-T528 PolarHBondContact O-N 3Å; T528-R549 VanDerWaalsContact O-CD 3.27Å; T528-R549 WeakPolarHBondContact O-CD 3.31Å; T528-C550 HydrophobicContact CG2-CB 4.5Å
529	H	82.6	Confident	78.9	Confident	20 Å²	20	66.6 Å²	66.6	9%	0.093	35%	0.349	C	S	.	.	H	α-helix	trans	-93.9	-37	173.3	167.9	58.3	0	0	0	112.7	C516 F520 S525 F526 Q527 K531 T532 H533	C516-H529 VanDerWaalsContact SG-CE1 3.52Å; C516-H529 PolarHBondContact SG-NE2 3.23Å; F520-H529 HydrophobicContact CE1-CB 3.88Å; F520-H529 HydrophobicContact CE2-CB 3.85Å; F520-H529 AromaticContact CE2-CD2 3.06Å; F520-H529 WeakPolarHBondContact CE2-CD2 3.24Å; F520-H529 AromaticContact CE2-CG 3.47Å; F520-H529 VanDerWaalsContact CE2-CG 3.47Å; F520-H529 AromaticContact CE2-NE2 3.77Å; F520-H529 HydrophobicContact CZ-CB 3.45Å; F520-H529 VanDerWaalsContact CZ-CB 3.45Å; F520-H529 AromaticContact CZ-CD2 3.37Å; F520-H529 WeakPolarHBondContact CZ-CD2 3.48Å; F520-H529 AromaticContact CZ-CG 3.23Å; F520-H529 AromaticContact CZ-ND1 3.92Å; S525-H529 PolarHBondContact O-N 2.97Å; S525-H529 VanDerWaalsContact O-N 3.12Å; F526-H529 CarbonylContact O-C 3.55Å; F526-H529 WeakPolarHBondContact O-CA 3.49Å; F526-H529 WeakPolarHBondContact O-CB 3.4Å; F526-H529 PolarHBondContact O-N 2.91Å; Q527-H529 VanDerWaalsContact C-N 3.26Å; Q527-H529 PolarHBondContact O-N 3.32Å; H529-K531 PolarHBondContact O-N 3.4Å; H529-T532 PolarHBondContact CE1-OG1 2.97Å; H529-T532 PolarHBondContact ND1-OG1 3.25Å; H529-T532 WeakPolarHBondContact O-CA 3.45Å; H529-T532 VanDerWaalsContact O-CB 3.22Å; H529-T532 WeakPolarHBondContact O-CB 3.18Å; H529-T532 VanDerWaalsContact O-CG2 3.29Å; H529-T532 WeakPolarHBondContact O-CG2 3.24Å; H529-T532 PolarHBondContact O-N 2.8Å; H529-T532 PolarHBondContact O-OG1 3.25Å; H529-H533 AromaticContact CE1-CE1 3.58Å; H529-H533 AromaticContact CE1-NE2 3.14Å; H529-H533 PolarHBondContact CE1-NE2 3.47Å; H529-H533 AromaticContact NE2-CE1 3.9Å; H529-H533 AromaticContact NE2-NE2 3.1Å; H529-H533 PolarHBondContact NE2-NE2 3.04Å; H529-H533 VanDerWaalsContact NE2-NE2 3.1Å
530	E	81.3	Confident	79.4	Confident	80 Å²	80	71.6 Å²	71.6	37%	0.374	37%	0.37	S	S	.	.	H	α-helix	trans	-52.8	-43.4	175.6	-174.9	166.7	-128.6	0	0	111.3	F526 T532 H533 T534	F526-E530 PolarHBondContact O-N 2.98Å; E530-T532 PolarHBondContact O-N 3.33Å; E530-H533 PolarHBondContact O-N 2.63Å; E530-T534 PolarHBondContact O-N 3.3Å
531	K	82.9	Confident	80	Confident	54 Å²	54	69.5 Å²	69.5	24%	0.235	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-6.8	171	-61.9	-178.1	-170.4	-59.5	0	115.1	Q527 H529 H533 T534 E536 P538 R549	Q527-K531 WeakPolarHBondContact O-CG 3.11Å; H529-K531 PolarHBondContact O-N 3.4Å; K531-H533 VanDerWaalsContact C-N 3.3Å; K531-T534 WeakPolarHBondContact CA-OG1 3.11Å; K531-E536 HydrophobicContact CB-CB 4.04Å; K531-E536 HydrophobicContact CD-CB 4.21Å; K531-E536 HydrophobicContact CG-CB 3.97Å; K531-E536 IonicContact NZ-OE1 3.88Å; K531-E536 IonicContact NZ-OE2 3.04Å; K531-E536 PolarHBondContact NZ-OE2 2.93Å; K531-P538 HydrophobicContact CD-CG 4.35Å; K531-R549 HydrophobicContact CB-CG 3.69Å; K531-R549 VanDerWaalsContact O-CZ 3.28Å; K531-R549 PolarHBondContact O-NE 3.33Å; K531-R549 PolarHBondContact O-NH2 3.1Å; K531-R549 VanDerWaalsContact O-NH2 3.13Å
532	T	81.3	Confident	80.7	Confident	56 Å²	56	73.2 Å²	73.2	34%	0.344	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.5	169.2	71.1	0	0	0	0	112.4	H529 E530	H529-T532 PolarHBondContact CE1-OG1 2.97Å; H529-T532 PolarHBondContact ND1-OG1 3.25Å; H529-T532 WeakPolarHBondContact O-CA 3.45Å; H529-T532 VanDerWaalsContact O-CB 3.22Å; H529-T532 WeakPolarHBondContact O-CB 3.18Å; H529-T532 VanDerWaalsContact O-CG2 3.29Å; H529-T532 WeakPolarHBondContact O-CG2 3.24Å; H529-T532 PolarHBondContact O-N 2.8Å; H529-T532 PolarHBondContact O-OG1 3.25Å; E530-T532 PolarHBondContact O-N 3.33Å
533	H	80	Confident	81.1	Confident	65 Å²	65	76.9 Å²	76.9	30%	0.301	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-42.1	-176.9	-47.9	-59.3	0	0	0	111.7	C513 I515 C516 H529 E530 K531 G535	C513-H533 PolarHBondContact SG-CD2 3.49Å; C513-H533 PolarHBondContact SG-NE2 2.63Å; I515-H533 HydrophobicContact CB-CB 4.37Å; I515-H533 HydrophobicContact CD1-CB 3.56Å; I515-H533 HydrophobicContact CG2-CB 3.99Å; C516-H533 PolarHBondContact SG-CE1 3.02Å; C516-H533 PolarHBondContact SG-NE2 3.35Å; H529-H533 AromaticContact CE1-CE1 3.58Å; H529-H533 AromaticContact CE1-NE2 3.14Å; H529-H533 PolarHBondContact CE1-NE2 3.47Å; H529-H533 AromaticContact NE2-CE1 3.9Å; H529-H533 AromaticContact NE2-NE2 3.1Å; H529-H533 PolarHBondContact NE2-NE2 3.04Å; H529-H533 VanDerWaalsContact NE2-NE2 3.1Å; E530-H533 PolarHBondContact O-N 2.63Å; K531-H533 VanDerWaalsContact C-N 3.3Å; H533-G535 PolarHBondContact O-N 2.84Å; H533-G535 VanDerWaalsContact O-N 3.09Å
534	T	78	Confident	81.6	Confident	80 Å²	80	77.6 Å²	77.6	49%	0.491	40%	0.401	S	S	.	.	S	Bend	trans	-69.7	-2.1	174	66.6	0	0	0	0	113.6	E530 K531 E536	E530-T534 PolarHBondContact O-N 3.3Å; K531-T534 WeakPolarHBondContact CA-OG1 3.11Å; T534-E536 PolarHBondContact O-N 3.05Å; T534-E536 WeakPolarHBondContact OG1-CG 3.06Å; T534-E536 PolarHBondContact OG1-OE1 2.95Å
535	G	78.1	Confident	81.8	Confident	40 Å²	40	72.2 Å²	72.2	41%	0.412	39%	0.389	S	S	.	.			trans	70.5	-14.9	-176.7	0	0	0	0	0	115.2	H533 K537	H533-G535 PolarHBondContact O-N 2.84Å; H533-G535 VanDerWaalsContact O-N 3.09Å; G535-K537 WeakPolarHBondContact O-CG 3.47Å
536	E	78.1	Confident	82.1	Confident	77 Å²	77	75.4 Å²	75.4	36%	0.36	40%	0.397	S	S	.	.			trans	-47.1	134.8	-171	-82.1	177.8	-97.8	0	0	115.2	K531 T534 P538	K531-E536 HydrophobicContact CB-CB 4.04Å; K531-E536 HydrophobicContact CD-CB 4.21Å; K531-E536 HydrophobicContact CG-CB 3.97Å; K531-E536 IonicContact NZ-OE1 3.88Å; K531-E536 IonicContact NZ-OE2 3.04Å; K531-E536 PolarHBondContact NZ-OE2 2.93Å; T534-E536 PolarHBondContact O-N 3.05Å; T534-E536 WeakPolarHBondContact OG1-CG 3.06Å; T534-E536 PolarHBondContact OG1-OE1 2.95Å; E536-P538 HydrophobicContact CB-CG 4.47Å
537	K	84	Confident	82.3	Confident	119 Å²	119	75.6 Å²	75.6	52%	0.517	40%	0.404	S	S	.	.			trans	-136.2	69.1	178.6	-70.2	156	178.2	176.1	0	111.3	G535 Y539 A547 F548	G535-K537 WeakPolarHBondContact O-CG 3.47Å; K537-Y539 PolarHBondContact O-N 3.19Å; K537-A547 HydrophobicContact CB-CB 3.5Å; K537-A547 VanDerWaalsContact CB-CB 3.5Å; K537-A547 HydrophobicContact CD-CB 4.02Å; K537-A547 WeakPolarHBondContact CD-O 3.32Å; K537-A547 HydrophobicContact CG-CB 4.32Å; K537-A547 WeakPolarHBondContact CG-O 3.33Å; K537-F548 CarbonylContact C-O 3.59Å; K537-F548 WeakPolarHBondContact CA-O 3.45Å
538	P	83.9	Confident	82.6	Confident	72 Å²	72	72.6 Å²	72.6	47%	0.468	39%	0.389	S	S	.	.			trans	-72.6	12.5	-169.8	-17.4	33.5	0	0	0	115.9	K531 E536	K531-P538 HydrophobicContact CD-CG 4.35Å; E536-P538 HydrophobicContact CB-CG 4.47Å
539	Y	83.9	Confident	82.7	Confident	97 Å²	97	73.6 Å²	73.6	38%	0.38	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	87.7	-174.7	-58.4	-77.7	0	0	0	109.5	K537 F548 C550 C551	K537-Y539 PolarHBondContact O-N 3.19Å; Y539-F548 WeakPolarHBondContact CB-O 3.42Å; Y539-F548 PolarHBondContact N-O 3.32Å; Y539-F548 VanDerWaalsContact N-O 3.16Å; Y539-F548 PolarHBondContact O-N 3.32Å; Y539-C550 VanDerWaalsContact CD2-C 3.47Å; Y539-C551 HydrophobicContact CD1-CB 3.77Å; Y539-C551 HydrophobicContact CE1-CB 3.77Å; Y539-C551 HydrophobicContact CG-CB 4.26Å
540	E	85.9	Confident	82.6	Confident	112 Å²	112	74.3 Å²	74.3	52%	0.523	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	149.7	-179.8	-161.6	169	151.6	0	0	112.9	G545 A547 L554	E540-G545 WeakPolarHBondContact OE1-CA 3.3Å; E540-A547 HydrophobicContact CG-CB 4.42Å; E540-L554 WeakPolarHBondContact O-CD2 3.38Å
541	C	88.4	Confident	82.6	Confident	2 Å²	2	73.5 Å²	73.5	1%	0.014	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	105.3	173.1	-169.1	0	0	0	0	110.4	Q543 C544 G545 K546 F548 L554	C541-Q543 PolarHBondContact O-N 3.32Å; C541-C544 PolarHBondContact O-N 3.36Å; C541-G545 PolarHBondContact O-N 2.84Å; C541-K546 WeakPolarHBondContact CB-O 3.42Å; C541-K546 PolarHBondContact N-O 2.95Å; C541-F548 HydrophobicContact CB-CE2 4.35Å; C541-L554 HydrophobicContact CB-CD1 3.51Å
542	N	84.3	Confident	82.5	Confident	162 Å²	162	75.8 Å²	75.8	87%	0.866	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-15.8	-178.4	-57.1	8	0	0	0	114.7
543	Q	81.2	Confident	82.6	Confident	130 Å²	130	75.7 Å²	75.7	61%	0.607	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-9.1	-179.5	-63.1	-176.1	0.4	0	0	114.2	C541 H561	C541-Q543 PolarHBondContact O-N 3.32Å; Q543-H561 VanDerWaalsContact OE1-CG 3.27Å
544	C	83.8	Confident	82.9	Confident	49 Å²	49	73.6 Å²	73.6	33%	0.331	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.2	14.3	179.5	68.6	0	0	0	0	116.4	C541 K546 H557 H561	C541-C544 PolarHBondContact O-N 3.36Å; C544-K546 PolarHBondContact O-N 3.01Å; C544-H557 PolarHBondContact SG-NE2 3.23Å; C544-H561 VanDerWaalsContact SG-CE1 3.54Å; C544-H561 PolarHBondContact SG-NE2 2.99Å
545	G	81.1	Confident	83.1	Confident	44 Å²	44	76.8 Å²	76.8	45%	0.454	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	5.6	179	0	0	0	0	0	115.4	E540 C541 A547	E540-G545 WeakPolarHBondContact OE1-CA 3.3Å; C541-G545 PolarHBondContact O-N 2.84Å; G545-A547 PolarHBondContact O-N 3.14Å
546	K	84.4	Confident	83.4	Confident	123 Å²	123	79.1 Å²	79.1	54%	0.535	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	111.2	-175.7	-74.2	175.3	-175	160.4	0	110.3	C541 C544 F548	C541-K546 WeakPolarHBondContact CB-O 3.42Å; C541-K546 PolarHBondContact N-O 2.95Å; C544-K546 PolarHBondContact O-N 3.01Å; K546-F548 HydrophobicContact CB-CE2 3.8Å; K546-F548 HydrophobicContact CB-CZ 4.11Å; K546-F548 WeakPolarHBondContact O-CD2 3.5Å; K546-F548 WeakPolarHBondContact O-CE2 3.44Å
547	A	86.7	Confident	83.8	Confident	35 Å²	35	76.6 Å²	76.6	29%	0.289	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.8	180	0	0	0	0	0	112.9	K537 E540 G545	K537-A547 HydrophobicContact CB-CB 3.5Å; K537-A547 VanDerWaalsContact CB-CB 3.5Å; K537-A547 HydrophobicContact CD-CB 4.02Å; K537-A547 WeakPolarHBondContact CD-O 3.32Å; K537-A547 HydrophobicContact CG-CB 4.32Å; K537-A547 WeakPolarHBondContact CG-O 3.33Å; E540-A547 HydrophobicContact CG-CB 4.42Å; G545-A547 PolarHBondContact O-N 3.14Å
548	F	85.1	Confident	83.9	Confident	47 Å²	47	74.6 Å²	74.6	21%	0.206	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.4	-177.5	-64.8	-88.5	0	0	0	113.3	K537 Y539 C541 K546 C550 L554 H557	K537-F548 CarbonylContact C-O 3.59Å; K537-F548 WeakPolarHBondContact CA-O 3.45Å; Y539-F548 WeakPolarHBondContact CB-O 3.42Å; Y539-F548 PolarHBondContact N-O 3.32Å; Y539-F548 VanDerWaalsContact N-O 3.16Å; Y539-F548 PolarHBondContact O-N 3.32Å; C541-F548 HydrophobicContact CB-CE2 4.35Å; K546-F548 HydrophobicContact CB-CE2 3.8Å; K546-F548 HydrophobicContact CB-CZ 4.11Å; K546-F548 WeakPolarHBondContact O-CD2 3.5Å; K546-F548 WeakPolarHBondContact O-CE2 3.44Å; F548-C550 PolarHBondContact O-N 2.93Å; F548-L554 HydrophobicContact CB-CB 4.23Å; F548-L554 HydrophobicContact CD2-CB 4.09Å; F548-L554 HydrophobicContact CD2-CD1 3.98Å; F548-L554 HydrophobicContact CE2-CD1 4.33Å; F548-L554 HydrophobicContact CG-CB 4.32Å; F548-H557 HydrophobicContact CE1-CB 4.03Å; F548-H557 HydrophobicContact CE2-CB 3.87Å; F548-H557 AromaticContact CE2-CD2 3.2Å; F548-H557 WeakPolarHBondContact CE2-CD2 3.42Å; F548-H557 AromaticContact CE2-CG 3.67Å; F548-H557 HydrophobicContact CZ-CB 3.48Å; F548-H557 VanDerWaalsContact CZ-CB 3.48Å; F548-H557 AromaticContact CZ-CD2 3.29Å; F548-H557 WeakPolarHBondContact CZ-CD2 3.39Å; F548-H557 AromaticContact CZ-CG 3.3Å; F548-H557 AromaticContact CZ-NE2 3.97Å
549	R	82	Confident	84	Confident	82 Å²	82	73.6 Å²	73.6	31%	0.309	37%	0.37	S	S	.	.	S	Bend	trans	-73.9	-20.5	179.6	-170.7	168.2	-65.8	127.9	-2.8	114.6	T528 K531	T528-R549 VanDerWaalsContact O-CD 3.27Å; T528-R549 WeakPolarHBondContact O-CD 3.31Å; K531-R549 HydrophobicContact CB-CG 3.69Å; K531-R549 VanDerWaalsContact O-CZ 3.28Å; K531-R549 PolarHBondContact O-NE 3.33Å; K531-R549 PolarHBondContact O-NH2 3.1Å; K531-R549 VanDerWaalsContact O-NH2 3.13Å
550	C	79.9	Confident	84	Confident	34 Å²	34	71.5 Å²	71.5	23%	0.23	37%	0.367	C	S	.	.	S	Bend	trans	-149.1	147.9	176.2	79.4	0	0	0	0	112.4	T528 Y539 F548 N552 S553 L554	T528-C550 HydrophobicContact CG2-CB 4.5Å; Y539-C550 VanDerWaalsContact CD2-C 3.47Å; F548-C550 PolarHBondContact O-N 2.93Å; C550-N552 PolarHBondContact O-N 3.19Å; C550-N552 VanDerWaalsContact O-N 3.16Å; C550-S553 WeakPolarHBondContact O-CB 3.49Å; C550-S553 PolarHBondContact O-N 2.83Å; C550-S553 PolarHBondContact SG-OG 3.39Å; C550-S553 VanDerWaalsContact SG-OG 3.33Å; C550-L554 PolarHBondContact O-N 2.76Å
551	C	80.6	Confident	83.9	Confident	63 Å²	63	69.6 Å²	69.6	43%	0.426	36%	0.358	S	S	.	.	H	α-helix	trans	-58.8	-26.4	-179.9	58.4	0	0	0	0	114.4	Y539 R555	Y539-C551 HydrophobicContact CD1-CB 3.77Å; Y539-C551 HydrophobicContact CE1-CB 3.77Å; Y539-C551 HydrophobicContact CG-CB 4.26Å; C551-R555 VanDerWaalsContact O-CB 3.32Å; C551-R555 WeakPolarHBondContact O-CB 3.44Å; C551-R555 PolarHBondContact O-N 3.41Å
552	N	81.9	Confident	83.6	Confident	103 Å²	103	73.3 Å²	73.3	55%	0.551	38%	0.381	S	S	*	.	H	α-helix	trans	-70.3	-30.8	173.5	-85.8	-25	0	0	0	112.8	C550 R555 Y556	C550-N552 PolarHBondContact O-N 3.19Å; C550-N552 VanDerWaalsContact O-N 3.16Å; N552-R555 PolarHBondContact OD1-NH2 3.11Å; N552-Y556 WeakPolarHBondContact O-CB 3.36Å; N552-Y556 PolarHBondContact O-N 3.15Å; N552-Y556 VanDerWaalsContact O-N 3.15Å
553	S	83.5	Confident	83.5	Confident	54 Å²	54	67.3 Å²	67.3	38%	0.378	36%	0.358	S	S	.	.	H	α-helix	trans	-75.8	-41.3	173.8	-63.7	0	0	0	0	111.4	C550 Y556 H557	C550-S553 WeakPolarHBondContact O-CB 3.49Å; C550-S553 PolarHBondContact O-N 2.83Å; C550-S553 PolarHBondContact SG-OG 3.39Å; C550-S553 VanDerWaalsContact SG-OG 3.33Å; S553-Y556 PolarHBondContact O-N 3.47Å; S553-H557 WeakPolarHBondContact O-CB 3.49Å; S553-H557 PolarHBondContact O-N 3.43Å
554	L	86.4	Confident	83.6	Confident	20 Å²	20	65.5 Å²	65.5	11%	0.105	35%	0.349	C	S	.	.	H	α-helix	trans	-56.4	-54.1	171.4	171.8	59.3	0	0	0	110.7	E540 C541 F548 C550 Y556 H557 E558	E540-L554 WeakPolarHBondContact O-CD2 3.38Å; C541-L554 HydrophobicContact CB-CD1 3.51Å; F548-L554 HydrophobicContact CB-CB 4.23Å; F548-L554 HydrophobicContact CD2-CB 4.09Å; F548-L554 HydrophobicContact CD2-CD1 3.98Å; F548-L554 HydrophobicContact CE2-CD1 4.33Å; F548-L554 HydrophobicContact CG-CB 4.32Å; C550-L554 PolarHBondContact O-N 2.76Å; L554-Y556 PolarHBondContact O-N 3.24Å; L554-H557 CarbonylContact O-C 3.58Å; L554-H557 VanDerWaalsContact O-CA 3.32Å; L554-H557 WeakPolarHBondContact O-CA 3.37Å; L554-H557 WeakPolarHBondContact O-CB 3.39Å; L554-H557 PolarHBondContact O-N 3.05Å; L554-E558 HydrophobicContact CD1-CG 4.07Å; L554-E558 HydrophobicContact CG-CG 4.36Å; L554-E558 WeakPolarHBondContact CG-OE1 3.31Å; L554-E558 WeakPolarHBondContact O-CG 3.41Å; L554-E558 PolarHBondContact O-N 3.08Å
555	R	82.7	Confident	83.8	Confident	147 Å²	147	68.8 Å²	68.8	56%	0.555	36%	0.358	S	S	*	.	H	α-helix	trans	-62.9	-26.1	179.1	-174.3	174.5	56.2	150.4	-2.4	114.8	C551 N552 E558	C551-R555 VanDerWaalsContact O-CB 3.32Å; C551-R555 WeakPolarHBondContact O-CB 3.44Å; C551-R555 PolarHBondContact O-N 3.41Å; N552-R555 PolarHBondContact OD1-NH2 3.11Å; R555-E558 VanDerWaalsContact CA-OE2 3.28Å; R555-E558 WeakPolarHBondContact CA-OE2 3.45Å
556	Y	83.9	Confident	84	Confident	90 Å²	90	69.9 Å²	69.9	35%	0.353	36%	0.357	S	S	.	.	H	α-helix	trans	-75.5	-30.5	170.2	179	-105.2	0	0	0	112.3	N552 S553 L554 R577 H581	N552-Y556 WeakPolarHBondContact O-CB 3.36Å; N552-Y556 PolarHBondContact O-N 3.15Å; N552-Y556 VanDerWaalsContact O-N 3.15Å; S553-Y556 PolarHBondContact O-N 3.47Å; L554-Y556 PolarHBondContact O-N 3.24Å; Y556-R577 HydrophobicContact CE2-CB 3.9Å; Y556-H581 PolarHBondContact OH-CE1 3.07Å
557	H	85.9	Confident	84.2	Confident	24 Å²	24	68.1 Å²	68.1	11%	0.111	35%	0.347	C	S	.	.	H	α-helix	trans	-78	-33.2	175	176	54.5	0	0	0	113.5	C544 F548 S553 L554 R559 T560 H561	C544-H557 PolarHBondContact SG-NE2 3.23Å; F548-H557 HydrophobicContact CE1-CB 4.03Å; F548-H557 HydrophobicContact CE2-CB 3.87Å; F548-H557 AromaticContact CE2-CD2 3.2Å; F548-H557 WeakPolarHBondContact CE2-CD2 3.42Å; F548-H557 AromaticContact CE2-CG 3.67Å; F548-H557 HydrophobicContact CZ-CB 3.48Å; F548-H557 VanDerWaalsContact CZ-CB 3.48Å; F548-H557 AromaticContact CZ-CD2 3.29Å; F548-H557 WeakPolarHBondContact CZ-CD2 3.39Å; F548-H557 AromaticContact CZ-CG 3.3Å; F548-H557 AromaticContact CZ-NE2 3.97Å; S553-H557 WeakPolarHBondContact O-CB 3.49Å; S553-H557 PolarHBondContact O-N 3.43Å; L554-H557 CarbonylContact O-C 3.58Å; L554-H557 VanDerWaalsContact O-CA 3.32Å; L554-H557 WeakPolarHBondContact O-CA 3.37Å; L554-H557 WeakPolarHBondContact O-CB 3.39Å; L554-H557 PolarHBondContact O-N 3.05Å; H557-R559 PolarHBondContact O-N 3.37Å; H557-T560 PolarHBondContact CE1-OG1 3.09Å; H557-T560 VanDerWaalsContact CE1-OG1 3.24Å; H557-T560 PolarHBondContact ND1-OG1 3.02Å; H557-T560 WeakPolarHBondContact O-CA 3.29Å; H557-T560 VanDerWaalsContact O-CB 3.24Å; H557-T560 WeakPolarHBondContact O-CB 3.14Å; H557-T560 WeakPolarHBondContact O-CG2 3.21Å; H557-T560 PolarHBondContact O-N 3.25Å; H557-T560 PolarHBondContact O-OG1 3.18Å; H557-H561 AromaticContact CE1-NE2 3.69Å; H557-H561 AromaticContact NE2-NE2 3.37Å; H557-H561 PolarHBondContact NE2-NE2 2.82Å
558	E	85.4	Confident	84.3	Confident	77 Å²	77	72.3 Å²	72.3	36%	0.36	36%	0.361	S	S	.	.	H	α-helix	trans	-56.3	-38	175.8	-72.5	164.8	167.6	0	0	111.6	L554 R555 T560 H561 T562	L554-E558 HydrophobicContact CD1-CG 4.07Å; L554-E558 HydrophobicContact CG-CG 4.36Å; L554-E558 WeakPolarHBondContact CG-OE1 3.31Å; L554-E558 WeakPolarHBondContact O-CG 3.41Å; L554-E558 PolarHBondContact O-N 3.08Å; R555-E558 VanDerWaalsContact CA-OE2 3.28Å; R555-E558 WeakPolarHBondContact CA-OE2 3.45Å; E558-T560 PolarHBondContact O-N 3.28Å; E558-H561 PolarHBondContact O-N 3.26Å; E558-T562 PolarHBondContact O-N 3.02Å; E558-T562 VanDerWaalsContact O-N 3.1Å
559	R	86.8	Confident	84.6	Confident	51 Å²	51	70.1 Å²	70.1	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-59.6	-13.6	170.2	-63.3	-172.6	167.4	158.4	4.8	115.2	H557 E564 R577	H557-R559 PolarHBondContact O-N 3.37Å; R559-E564 HydrophobicContact CB-CB 3.96Å; R559-E564 HydrophobicContact CG-CB 3.75Å; R559-E564 IonicContact CZ-OE2 2.67Å; R559-E564 IonicContact NE-OE2 3.61Å; R559-E564 PolarHBondContact NE-OE2 3.12Å; R559-E564 IonicContact NH2-OE2 3.79Å; R559-R577 PolarHBondContact NH1-O 3.17Å; R559-R577 PolarHBondContact O-NE 3.49Å; R559-R577 PolarHBondContact O-NH2 3.15Å
560	T	85	Confident	84.8	Confident	52 Å²	52	76 Å²	76	32%	0.319	38%	0.38	S	S	.	.	H	α-helix	trans	-77.8	-27.7	173.4	72.6	0	0	0	0	112.6	H557 E558 R577	H557-T560 PolarHBondContact CE1-OG1 3.09Å; H557-T560 VanDerWaalsContact CE1-OG1 3.24Å; H557-T560 PolarHBondContact ND1-OG1 3.02Å; H557-T560 WeakPolarHBondContact O-CA 3.29Å; H557-T560 VanDerWaalsContact O-CB 3.24Å; H557-T560 WeakPolarHBondContact O-CB 3.14Å; H557-T560 WeakPolarHBondContact O-CG2 3.21Å; H557-T560 PolarHBondContact O-N 3.25Å; H557-T560 PolarHBondContact O-OG1 3.18Å; E558-T560 PolarHBondContact O-N 3.28Å; T560-R577 PolarHBondContact O-NH2 3.15Å; T560-R577 VanDerWaalsContact O-NH2 3.12Å
561	H	83.3	Confident	85	Confident	72 Å²	72	80.5 Å²	80.5	33%	0.333	40%	0.397	S	S	.	.	H	α-helix	trans	-87.7	-51.6	173.2	-55.2	-68.3	0	0	0	111.9	Q543 C544 H557 E558 G563	Q543-H561 VanDerWaalsContact OE1-CG 3.27Å; C544-H561 VanDerWaalsContact SG-CE1 3.54Å; C544-H561 PolarHBondContact SG-NE2 2.99Å; H557-H561 AromaticContact CE1-NE2 3.69Å; H557-H561 AromaticContact NE2-NE2 3.37Å; H557-H561 PolarHBondContact NE2-NE2 2.82Å; E558-H561 PolarHBondContact O-N 3.26Å; H561-G563 PolarHBondContact O-N 2.9Å
562	T	81.4	Confident	85.3	Confident	81 Å²	81	79.9 Å²	79.9	50%	0.497	39%	0.393	S	S	.	.	S	Bend	trans	-69.6	-1.3	-177.6	65.6	0	0	0	0	114.3	E558 E564	E558-T562 PolarHBondContact O-N 3.02Å; E558-T562 VanDerWaalsContact O-N 3.1Å; T562-E564 PolarHBondContact O-N 2.87Å; T562-E564 WeakPolarHBondContact OG1-CB 3.31Å
563	G	82.2	Confident	85.4	Confident	36 Å²	36	77.1 Å²	77.1	37%	0.371	39%	0.389	S	S	.	.			trans	71.5	-14.6	-176.2	0	0	0	0	0	115.2	H561 K565	H561-G563 PolarHBondContact O-N 2.9Å; G563-K565 WeakPolarHBondContact O-CG 3.49Å; G563-K565 PolarHBondContact O-N 2.79Å
564	E	83.4	Confident	85.6	Confident	92 Å²	92	80.5 Å²	80.5	43%	0.43	40%	0.397	S	S	.	.			trans	-40.4	121.3	-174.6	-100.9	-173.8	-127.8	0	0	114.1	R559 T562 P566 R577	R559-E564 HydrophobicContact CB-CB 3.96Å; R559-E564 HydrophobicContact CG-CB 3.75Å; R559-E564 IonicContact CZ-OE2 2.67Å; R559-E564 IonicContact NE-OE2 3.61Å; R559-E564 PolarHBondContact NE-OE2 3.12Å; R559-E564 IonicContact NH2-OE2 3.79Å; T562-E564 PolarHBondContact O-N 2.87Å; T562-E564 WeakPolarHBondContact OG1-CB 3.31Å; E564-P566 HydrophobicContact CB-CG 4.49Å; E564-R577 WeakPolarHBondContact O-CG 3.35Å
565	K	87.6	Confident	85.7	Confident	118 Å²	118	81.2 Å²	81.2	51%	0.513	41%	0.406	S	S	.	.			trans	-128.7	71.3	176.3	-73	153.6	175.2	177.9	0	111.4	G563 Y567 A575 F576 R577	G563-K565 WeakPolarHBondContact O-CG 3.49Å; G563-K565 PolarHBondContact O-N 2.79Å; K565-Y567 PolarHBondContact O-N 2.99Å; K565-A575 HydrophobicContact CB-CB 3.53Å; K565-A575 HydrophobicContact CD-CB 4.11Å; K565-A575 WeakPolarHBondContact CD-O 3.42Å; K565-A575 HydrophobicContact CG-CB 4.35Å; K565-A575 WeakPolarHBondContact CG-O 3.49Å; K565-F576 CarbonylContact C-O 3.53Å; K565-F576 VanDerWaalsContact CA-O 3.28Å; K565-F576 WeakPolarHBondContact CA-O 3.46Å; K565-R577 HydrophobicContact CG-CG 4.17Å
566	P	86.5	Confident	85.9	Confident	67 Å²	67	76.5 Å²	76.5	44%	0.435	39%	0.389	S	S	.	.			trans	-74.1	16.2	-168.6	-19.8	36.5	0	0	0	116.1	E564	E564-P566 HydrophobicContact CB-CG 4.49Å
567	Y	88.3	Confident	85.9	Confident	85 Å²	85	76.1 Å²	76.1	33%	0.333	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	91.2	-175.5	-55.9	-75.4	0	0	0	109.5	K565 F576 A579	K565-Y567 PolarHBondContact O-N 2.99Å; Y567-F576 WeakPolarHBondContact CD2-O 3.45Å; Y567-F576 PolarHBondContact N-O 3.33Å; Y567-F576 PolarHBondContact O-N 3.04Å; Y567-A579 HydrophobicContact CD1-CB 3.77Å; Y567-A579 HydrophobicContact CE1-CB 3.81Å; Y567-A579 HydrophobicContact CG-CB 4.22Å
568	E	89.1	Confident	85.8	Confident	123 Å²	123	75.8 Å²	75.8	58%	0.575	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.2	-177.1	-163.3	-175.2	144.3	0	0	112.7	K570 A575	E568-K570 PolarHBondContact O-N 3.4Å; E568-A575 HydrophobicContact CB-CB 4.44Å; E568-A575 HydrophobicContact CG-CB 4.31Å
569	C	90.4	Very high	85.8	Confident	1 Å²	1	74 Å²	74	1%	0.007	39%	0.386	C	S	.	.			trans	-84.9	106.4	172.7	-170.5	0	0	0	0	110.9	Q571 C572 G573 K574 F576 L582	C569-Q571 PolarHBondContact O-N 3.37Å; C569-C572 PolarHBondContact O-N 3.01Å; C569-G573 PolarHBondContact O-N 3.07Å; C569-K574 WeakPolarHBondContact CB-O 3.34Å; C569-K574 PolarHBondContact N-O 2.74Å; C569-F576 HydrophobicContact CB-CE2 4.48Å; C569-L582 HydrophobicContact CB-CD1 3.52Å
570	K	86.9	Confident	85.7	Confident	207 Å²	207	75.2 Å²	75.2	90%	0.9	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-20.3	179.2	-66.5	-168.4	173.1	-165.3	0	115.2	E568	E568-K570 PolarHBondContact O-N 3.4Å
571	Q	84.6	Confident	85.7	Confident	128 Å²	128	76.6 Å²	76.6	60%	0.598	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-12.8	-178.2	-69.5	176.1	-20.8	0	0	113.8	C569 H589	C569-Q571 PolarHBondContact O-N 3.37Å; Q571-H589 PolarHBondContact OE1-CD2 2.78Å
572	C	86.9	Confident	86	Confident	50 Å²	50	74.1 Å²	74.1	34%	0.338	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.1	14.5	-179.4	69.1	0	0	0	0	116.1	C569 K574 H585 H589	C569-C572 PolarHBondContact O-N 3.01Å; C572-K574 PolarHBondContact O-N 3.37Å; C572-H585 PolarHBondContact SG-NE2 3.04Å; C572-H589 VanDerWaalsContact SG-CE1 3.57Å; C572-H589 PolarHBondContact SG-NE2 3.05Å
573	G	83.8	Confident	86.1	Confident	45 Å²	45	77.9 Å²	77.9	46%	0.464	40%	0.399	S	S	.	.			trans	66.6	-0.6	179.3	0	0	0	0	0	115.6	C569 A575	C569-G573 PolarHBondContact O-N 3.07Å; G573-A575 PolarHBondContact O-N 2.87Å
574	K	86.6	Confident	86.2	Confident	124 Å²	124	79.9 Å²	79.9	54%	0.539	40%	0.4	S	S	.	.			trans	-72.4	118.3	-175.7	-71.8	176.3	-175.3	166.8	0	110.4	C569 C572 F576	C569-K574 WeakPolarHBondContact CB-O 3.34Å; C569-K574 PolarHBondContact N-O 2.74Å; C572-K574 PolarHBondContact O-N 3.37Å; K574-F576 HydrophobicContact CB-CE2 3.8Å; K574-F576 HydrophobicContact CB-CZ 4.12Å; K574-F576 VanDerWaalsContact O-CD2 3.27Å; K574-F576 WeakPolarHBondContact O-CD2 3.47Å; K574-F576 WeakPolarHBondContact O-CE2 3.15Å
575	A	89.3	Confident	86.4	Confident	36 Å²	36	76.6 Å²	76.6	30%	0.298	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.4	-177	0	0	0	0	0	113	K565 E568 G573	K565-A575 HydrophobicContact CB-CB 3.53Å; K565-A575 HydrophobicContact CD-CB 4.11Å; K565-A575 WeakPolarHBondContact CD-O 3.42Å; K565-A575 HydrophobicContact CG-CB 4.35Å; K565-A575 WeakPolarHBondContact CG-O 3.49Å; E568-A575 HydrophobicContact CB-CB 4.44Å; E568-A575 HydrophobicContact CG-CB 4.31Å; G573-A575 PolarHBondContact O-N 2.87Å
576	F	86.9	Confident	86.4	Confident	48 Å²	48	74.6 Å²	74.6	21%	0.211	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151.7	-173.3	-63.4	-92.1	0	0	0	113	K565 Y567 C569 K574 S578 H581 L582 H585	K565-F576 CarbonylContact C-O 3.53Å; K565-F576 VanDerWaalsContact CA-O 3.28Å; K565-F576 WeakPolarHBondContact CA-O 3.46Å; Y567-F576 WeakPolarHBondContact CD2-O 3.45Å; Y567-F576 PolarHBondContact N-O 3.33Å; Y567-F576 PolarHBondContact O-N 3.04Å; C569-F576 HydrophobicContact CB-CE2 4.48Å; K574-F576 HydrophobicContact CB-CE2 3.8Å; K574-F576 HydrophobicContact CB-CZ 4.12Å; K574-F576 VanDerWaalsContact O-CD2 3.27Å; K574-F576 WeakPolarHBondContact O-CD2 3.47Å; K574-F576 WeakPolarHBondContact O-CE2 3.15Å; F576-S578 VanDerWaalsContact C-N 3.33Å; F576-S578 PolarHBondContact O-N 2.85Å; F576-H581 HydrophobicContact CB-CB 4.37Å; F576-H581 HydrophobicContact CD1-CB 3.92Å; F576-H581 HydrophobicContact CG-CB 4.44Å; F576-L582 HydrophobicContact CB-CB 4.31Å; F576-L582 HydrophobicContact CD2-CB 4.14Å; F576-L582 HydrophobicContact CD2-CD1 4.01Å; F576-L582 HydrophobicContact CE2-CD1 4.33Å; F576-L582 HydrophobicContact CG-CB 4.37Å; F576-H585 HydrophobicContact CE1-CB 4.09Å; F576-H585 HydrophobicContact CE2-CB 4.07Å; F576-H585 AromaticContact CE2-CD2 3.2Å; F576-H585 WeakPolarHBondContact CE2-CD2 3.31Å; F576-H585 AromaticContact CE2-CG 3.82Å; F576-H585 AromaticContact CE2-NE2 4Å; F576-H585 HydrophobicContact CZ-CB 3.6Å; F576-H585 AromaticContact CZ-CD2 3.24Å; F576-H585 WeakPolarHBondContact CZ-CD2 3.38Å; F576-H585 AromaticContact CZ-CG 3.41Å; F576-H585 VanDerWaalsContact CZ-CG 3.41Å; F576-H585 AromaticContact CZ-NE2 3.96Å
577	R	84.3	Confident	86.4	Confident	82 Å²	82	74 Å²	74	31%	0.309	37%	0.366	S	S	.	.	S	Bend	trans	-74.3	-19.3	178.6	-58.8	-171.4	164.2	134	-5.6	113.9	Y556 R559 T560 E564 K565	Y556-R577 HydrophobicContact CE2-CB 3.9Å; R559-R577 PolarHBondContact NH1-O 3.17Å; R559-R577 PolarHBondContact O-NE 3.49Å; R559-R577 PolarHBondContact O-NH2 3.15Å; T560-R577 PolarHBondContact O-NH2 3.15Å; T560-R577 VanDerWaalsContact O-NH2 3.12Å; E564-R577 WeakPolarHBondContact O-CG 3.35Å; K565-R577 HydrophobicContact CG-CG 4.17Å
578	S	84.3	Confident	86.3	Confident	17 Å²	17	74.1 Å²	74.1	12%	0.119	38%	0.376	C	S	.	.	S	Bend	trans	-142.9	147.1	176.3	64.5	0	0	0	0	113.4	F576 S580 H581 L582	F576-S578 VanDerWaalsContact C-N 3.33Å; F576-S578 PolarHBondContact O-N 2.85Å; S578-S580 PolarHBondContact O-N 3.34Å; S578-S580 PolarHBondContact OG-OG 3.22Å; S578-H581 PolarHBondContact O-N 3.22Å; S578-H581 VanDerWaalsContact O-N 3.09Å; S578-H581 PolarHBondContact OG-N 2.88Å; S578-H581 PolarHBondContact OG-ND1 3.43Å; S578-L582 PolarHBondContact O-N 3.1Å; S578-L582 VanDerWaalsContact O-N 3.11Å
579	A	85.3	Confident	86.1	Confident	40 Å²	40	72 Å²	72	33%	0.331	37%	0.366	S	S	.	.	H	α-helix	trans	-61.4	-20.6	173.6	0	0	0	0	0	114.1	Y567 R583	Y567-A579 HydrophobicContact CD1-CB 3.77Å; Y567-A579 HydrophobicContact CE1-CB 3.81Å; Y567-A579 HydrophobicContact CG-CB 4.22Å; A579-R583 WeakPolarHBondContact O-CB 3.43Å; A579-R583 PolarHBondContact O-N 2.85Å; A579-R583 VanDerWaalsContact O-N 3.09Å
580	S	84.1	Confident	85.7	Confident	76 Å²	76	75.9 Å²	75.9	53%	0.531	39%	0.39	S	S	.	.	H	α-helix	trans	-72.4	-37	173.7	55.2	0	0	0	0	112.4	S578 M584	S578-S580 PolarHBondContact O-N 3.34Å; S578-S580 PolarHBondContact OG-OG 3.22Å; S580-M584 WeakPolarHBondContact O-CB 3.39Å; S580-M584 PolarHBondContact O-N 3.3Å; S580-M584 VanDerWaalsContact O-N 3.17Å
581	H	85.3	Confident	85.5	Confident	81 Å²	81	68.1 Å²	68.1	38%	0.375	37%	0.368	S	S	.	.	H	α-helix	trans	-76.9	-38.4	175.8	-65.7	135.6	0	0	0	111.6	Y556 F576 S578 M584 H585	Y556-H581 PolarHBondContact OH-CE1 3.07Å; F576-H581 HydrophobicContact CB-CB 4.37Å; F576-H581 HydrophobicContact CD1-CB 3.92Å; F576-H581 HydrophobicContact CG-CB 4.44Å; S578-H581 PolarHBondContact O-N 3.22Å; S578-H581 VanDerWaalsContact O-N 3.09Å; S578-H581 PolarHBondContact OG-N 2.88Å; S578-H581 PolarHBondContact OG-ND1 3.43Å; H581-M584 PolarHBondContact O-N 2.91Å; H581-H585 WeakPolarHBondContact O-CB 3.47Å; H581-H585 PolarHBondContact O-N 2.88Å
582	L	88.3	Confident	85.5	Confident	19 Å²	19	66.5 Å²	66.5	10%	0.099	36%	0.36	C	S	.	.	H	α-helix	trans	-54.3	-53.4	169.4	172.9	58.8	0	0	0	110.8	C569 F576 S578 M584 H585 E586	C569-L582 HydrophobicContact CB-CD1 3.52Å; F576-L582 HydrophobicContact CB-CB 4.31Å; F576-L582 HydrophobicContact CD2-CB 4.14Å; F576-L582 HydrophobicContact CD2-CD1 4.01Å; F576-L582 HydrophobicContact CE2-CD1 4.33Å; F576-L582 HydrophobicContact CG-CB 4.37Å; S578-L582 PolarHBondContact O-N 3.1Å; S578-L582 VanDerWaalsContact O-N 3.11Å; L582-M584 VanDerWaalsContact C-N 3.29Å; L582-M584 PolarHBondContact O-N 3.18Å; L582-H585 CarbonylContact O-C 3.15Å; L582-H585 WeakPolarHBondContact O-CA 3.39Å; L582-H585 WeakPolarHBondContact O-CB 3.26Å; L582-H585 PolarHBondContact O-N 3.16Å; L582-E586 HydrophobicContact CD1-CG 3.96Å; L582-E586 HydrophobicContact CG-CG 4.28Å; L582-E586 WeakPolarHBondContact O-CG 3.49Å; L582-E586 PolarHBondContact O-N 3.2Å
583	R	84.9	Confident	85.5	Confident	161 Å²	161	70.1 Å²	70.1	61%	0.608	37%	0.37	S	S	*	.	H	α-helix	trans	-62.3	-33.2	-179.8	-162.4	-172.8	-49	-152.4	-1.9	114.4	A579 H585 E586	A579-R583 WeakPolarHBondContact O-CB 3.43Å; A579-R583 PolarHBondContact O-N 2.85Å; A579-R583 VanDerWaalsContact O-N 3.09Å; R583-H585 VanDerWaalsContact C-N 3.27Å; R583-E586 VanDerWaalsContact CA-OE2 3.29Å; R583-E586 WeakPolarHBondContact CA-OE2 3.47Å
584	M	84.3	Confident	85.6	Confident	77 Å²	77	71.2 Å²	71.2	38%	0.379	37%	0.369	S	S	.	.	H	α-helix	trans	-71	-26	173.8	-172	178.8	69.4	0	0	112.1	S580 H581 L582 C606	S580-M584 WeakPolarHBondContact O-CB 3.39Å; S580-M584 PolarHBondContact O-N 3.3Å; S580-M584 VanDerWaalsContact O-N 3.17Å; H581-M584 PolarHBondContact O-N 2.91Å; L582-M584 VanDerWaalsContact C-N 3.29Å; L582-M584 PolarHBondContact O-N 3.18Å; M584-C606 HydrophobicContact CG-CB 4.46Å; M584-C606 HydrophobicContact SD-CB 3.97Å
585	H	87.4	Confident	85.7	Confident	24 Å²	24	69.4 Å²	69.4	11%	0.111	36%	0.36	C	S	.	.	H	α-helix	trans	-84.9	-34.7	175	170.6	51.6	0	0	0	113.2	C572 F576 H581 L582 R583 R587 T588 H589	C572-H585 PolarHBondContact SG-NE2 3.04Å; F576-H585 HydrophobicContact CE1-CB 4.09Å; F576-H585 HydrophobicContact CE2-CB 4.07Å; F576-H585 AromaticContact CE2-CD2 3.2Å; F576-H585 WeakPolarHBondContact CE2-CD2 3.31Å; F576-H585 AromaticContact CE2-CG 3.82Å; F576-H585 AromaticContact CE2-NE2 4Å; F576-H585 HydrophobicContact CZ-CB 3.6Å; F576-H585 AromaticContact CZ-CD2 3.24Å; F576-H585 WeakPolarHBondContact CZ-CD2 3.38Å; F576-H585 AromaticContact CZ-CG 3.41Å; F576-H585 VanDerWaalsContact CZ-CG 3.41Å; F576-H585 AromaticContact CZ-NE2 3.96Å; H581-H585 WeakPolarHBondContact O-CB 3.47Å; H581-H585 PolarHBondContact O-N 2.88Å; L582-H585 CarbonylContact O-C 3.15Å; L582-H585 WeakPolarHBondContact O-CA 3.39Å; L582-H585 WeakPolarHBondContact O-CB 3.26Å; L582-H585 PolarHBondContact O-N 3.16Å; R583-H585 VanDerWaalsContact C-N 3.27Å; H585-R587 PolarHBondContact O-N 3.21Å; H585-T588 PolarHBondContact CE1-OG1 3.26Å; H585-T588 PolarHBondContact ND1-OG1 3.4Å; H585-T588 WeakPolarHBondContact O-CA 3.38Å; H585-T588 WeakPolarHBondContact O-CB 3.46Å; H585-T588 PolarHBondContact O-N 3.17Å; H585-T588 PolarHBondContact O-OG1 3.23Å; H585-H589 AromaticContact CE1-CE1 3.77Å; H585-H589 AromaticContact CE1-NE2 3.4Å; H585-H589 PolarHBondContact CE1-NE2 3.24Å; H585-H589 AromaticContact NE2-NE2 3.33Å; H585-H589 PolarHBondContact NE2-NE2 3.39Å
586	E	86.4	Confident	85.6	Confident	75 Å²	75	73.5 Å²	73.5	35%	0.35	37%	0.372	S	S	.	.	H	α-helix	trans	-55.2	-35.9	173.6	-71.4	166.6	154	0	0	111	L582 R583 T588 H589 T590	L582-E586 HydrophobicContact CD1-CG 3.96Å; L582-E586 HydrophobicContact CG-CG 4.28Å; L582-E586 WeakPolarHBondContact O-CG 3.49Å; L582-E586 PolarHBondContact O-N 3.2Å; R583-E586 VanDerWaalsContact CA-OE2 3.29Å; R583-E586 WeakPolarHBondContact CA-OE2 3.47Å; E586-T588 PolarHBondContact O-N 3.4Å; E586-H589 WeakPolarHBondContact O-CB 3.44Å; E586-H589 PolarHBondContact O-N 2.66Å; E586-T590 PolarHBondContact O-N 2.93Å; E586-T590 VanDerWaalsContact O-N 3.17Å
587	R	87.4	Confident	85.8	Confident	54 Å²	54	71.5 Å²	71.5	20%	0.204	36%	0.364	C	S	.	.	H	α-helix	trans	-60.7	-19.1	170.3	-67.1	-169.9	168.7	147.1	5.9	116	H585 H589 G591 E592 S605	H585-R587 PolarHBondContact O-N 3.21Å; R587-H589 VanDerWaalsContact C-N 3.3Å; R587-G591 CarbonylContact O-C 3.55Å; R587-G591 WeakPolarHBondContact O-CA 3.38Å; R587-G591 PolarHBondContact O-N 2.93Å; R587-G591 VanDerWaalsContact O-N 3.07Å; R587-E592 HydrophobicContact CB-CB 3.94Å; R587-E592 HydrophobicContact CG-CB 3.67Å; R587-E592 IonicContact CZ-OE2 3.5Å; R587-E592 IonicContact NE-OE2 3.07Å; R587-E592 PolarHBondContact NE-OE2 2.98Å; R587-E592 IonicContact NH2-OE2 2.58Å; R587-E592 PolarHBondContact O-N 2.79Å; R587-S605 PolarHBondContact NH1-O 2.96Å
588	T	85.5	Confident	85.8	Confident	89 Å²	89	77.7 Å²	77.7	55%	0.546	39%	0.394	S	S	.	.	H	α-helix	trans	-79.3	-15.5	173.9	66.9	0	0	0	0	112.6	H585 E586	H585-T588 PolarHBondContact CE1-OG1 3.26Å; H585-T588 PolarHBondContact ND1-OG1 3.4Å; H585-T588 WeakPolarHBondContact O-CA 3.38Å; H585-T588 WeakPolarHBondContact O-CB 3.46Å; H585-T588 PolarHBondContact O-N 3.17Å; H585-T588 PolarHBondContact O-OG1 3.23Å; E586-T588 PolarHBondContact O-N 3.4Å
589	H	84.7	Confident	85.8	Confident	78 Å²	78	83.2 Å²	83.2	36%	0.361	42%	0.418	S	S	.	.	H	α-helix	trans	-92.6	-44.5	171	-56.2	-56.7	0	0	0	111.6	Q571 C572 H585 E586 R587 G591	Q571-H589 PolarHBondContact OE1-CD2 2.78Å; C572-H589 VanDerWaalsContact SG-CE1 3.57Å; C572-H589 PolarHBondContact SG-NE2 3.05Å; H585-H589 AromaticContact CE1-CE1 3.77Å; H585-H589 AromaticContact CE1-NE2 3.4Å; H585-H589 PolarHBondContact CE1-NE2 3.24Å; H585-H589 AromaticContact NE2-NE2 3.33Å; H585-H589 PolarHBondContact NE2-NE2 3.39Å; E586-H589 WeakPolarHBondContact O-CB 3.44Å; E586-H589 PolarHBondContact O-N 2.66Å; R587-H589 VanDerWaalsContact C-N 3.3Å; H589-G591 VanDerWaalsContact C-N 3.25Å; H589-G591 PolarHBondContact O-N 3.09Å
590	T	83.3	Confident	85.9	Confident	83 Å²	83	83.6 Å²	83.6	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-77.1	-8.8	178.4	64.9	0	0	0	0	113.9	E586 E592	E586-T590 PolarHBondContact O-N 2.93Å; E586-T590 VanDerWaalsContact O-N 3.17Å; T590-E592 PolarHBondContact O-N 3.43Å; T590-E592 WeakPolarHBondContact OG1-CB 3.34Å
591	G	82.5	Confident	85.9	Confident	43 Å²	43	82.1 Å²	82.1	44%	0.443	41%	0.414	S	S	.	.			trans	73.1	-2.7	-175.6	0	0	0	0	0	115	R587 H589 K593	R587-G591 CarbonylContact O-C 3.55Å; R587-G591 WeakPolarHBondContact O-CA 3.38Å; R587-G591 PolarHBondContact O-N 2.93Å; R587-G591 VanDerWaalsContact O-N 3.07Å; H589-G591 VanDerWaalsContact C-N 3.25Å; H589-G591 PolarHBondContact O-N 3.09Å; G591-K593 WeakPolarHBondContact O-CG 3.33Å; G591-K593 PolarHBondContact O-N 3.5Å
592	E	83.4	Confident	86	Confident	94 Å²	94	84.3 Å²	84.3	44%	0.439	42%	0.423	S	S	.	.			trans	-49.9	121.5	-177.4	-98.4	-176.2	-128.7	0	0	113.4	R587 T590	R587-E592 HydrophobicContact CB-CB 3.94Å; R587-E592 HydrophobicContact CG-CB 3.67Å; R587-E592 IonicContact CZ-OE2 3.5Å; R587-E592 IonicContact NE-OE2 3.07Å; R587-E592 PolarHBondContact NE-OE2 2.98Å; R587-E592 IonicContact NH2-OE2 2.58Å; R587-E592 PolarHBondContact O-N 2.79Å; T590-E592 PolarHBondContact O-N 3.43Å; T590-E592 WeakPolarHBondContact OG1-CB 3.34Å
593	K	87.5	Confident	86	Confident	126 Å²	126	85.2 Å²	85.2	55%	0.548	43%	0.433	S	S	.	.			trans	-129	70.4	176.9	-71.6	156.1	-177.2	169.8	0	111.9	G591 Y595 A603 F604	G591-K593 WeakPolarHBondContact O-CG 3.33Å; G591-K593 PolarHBondContact O-N 3.5Å; K593-Y595 PolarHBondContact O-N 2.84Å; K593-A603 HydrophobicContact CB-CB 3.52Å; K593-A603 HydrophobicContact CD-CB 4.23Å; K593-A603 WeakPolarHBondContact CD-O 3.47Å; K593-A603 HydrophobicContact CG-CB 4.41Å; K593-F604 CarbonylContact C-O 3.48Å; K593-F604 VanDerWaalsContact CA-O 3.29Å; K593-F604 WeakPolarHBondContact CA-O 3.32Å
594	P	86.1	Confident	86	Confident	68 Å²	68	79.9 Å²	79.9	44%	0.442	41%	0.414	S	S	.	.			trans	-72.4	8.9	-169.8	-20	36	0	0	0	116.2
595	Y	87.8	Confident	86	Confident	87 Å²	87	77.6 Å²	77.6	34%	0.341	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	89.1	-176	-57	-77.9	0	0	0	110	K593 F604 C606 A607	K593-Y595 PolarHBondContact O-N 2.84Å; Y595-F604 WeakPolarHBondContact CB-O 3.36Å; Y595-F604 WeakPolarHBondContact CD2-O 3.2Å; Y595-F604 PolarHBondContact N-O 2.84Å; Y595-F604 VanDerWaalsContact N-O 3.14Å; Y595-F604 PolarHBondContact O-N 3.39Å; Y595-C606 VanDerWaalsContact CD2-C 3.44Å; Y595-A607 HydrophobicContact CD1-CB 3.73Å; Y595-A607 HydrophobicContact CE1-CB 3.75Å; Y595-A607 HydrophobicContact CG-CB 4.2Å
596	E	88.4	Confident	85.9	Confident	121 Å²	121	77.2 Å²	77.2	57%	0.565	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	142	-177.7	-157.5	-169.5	136.5	0	0	113.2	K598 A603 L610	E596-K598 PolarHBondContact O-N 3.31Å; E596-A603 HydrophobicContact CG-CB 4.33Å; E596-L610 WeakPolarHBondContact O-CD2 3.26Å
597	C	89.6	Confident	85.8	Confident	6 Å²	6	76 Å²	76	4%	0.041	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	100.9	171.9	-171.8	0	0	0	0	111.2	Q599 C600 G601 K602 F604 L610 H617	C597-Q599 PolarHBondContact O-N 3.06Å; C597-C600 PolarHBondContact O-N 2.79Å; C597-G601 PolarHBondContact O-N 3.07Å; C597-K602 WeakPolarHBondContact CB-O 3.26Å; C597-K602 PolarHBondContact N-O 2.97Å; C597-F604 HydrophobicContact CB-CE2 4.45Å; C597-L610 HydrophobicContact CB-CD1 3.55Å; C597-H617 PolarHBondContact SG-NE2 2.94Å
598	K	85.8	Confident	85.7	Confident	212 Å²	212	76.5 Å²	76.5	92%	0.922	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-21.5	178.3	-65.7	-166.2	173	-163.2	0	115.6	E596	E596-K598 PolarHBondContact O-N 3.31Å
599	Q	84.5	Confident	85.7	Confident	134 Å²	134	75.3 Å²	75.3	63%	0.626	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-12.8	179.1	-71.8	175.2	-46.5	0	0	114.5	C597 H617	C597-Q599 PolarHBondContact O-N 3.06Å; Q599-H617 PolarHBondContact OE1-CD2 2.84Å; Q599-H617 VanDerWaalsContact OE1-CD2 3.25Å
600	C	87.2	Confident	85.8	Confident	47 Å²	47	73.6 Å²	73.6	32%	0.318	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.2	20.8	-178.9	74.5	0	0	0	0	115.6	C597 K602 H613 H617	C597-C600 PolarHBondContact O-N 2.79Å; C600-K602 PolarHBondContact O-N 3.31Å; C600-H613 PolarHBondContact SG-NE2 3.27Å; C600-H617 WeakPolarHBondContact CB-CE1 3.47Å; C600-H617 PolarHBondContact SG-CE1 3.17Å; C600-H617 PolarHBondContact SG-NE2 2.93Å
601	G	83.6	Confident	85.9	Confident	46 Å²	46	78.6 Å²	78.6	47%	0.474	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	-1.5	178.8	0	0	0	0	0	116.6	C597 A603	C597-G601 PolarHBondContact O-N 3.07Å; G601-A603 PolarHBondContact O-N 3.42Å
602	K	86.7	Confident	86	Confident	126 Å²	126	82.5 Å²	82.5	55%	0.548	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	117.5	-173	-74.6	177.7	-177	171.3	0	110.4	C597 C600 F604	C597-K602 WeakPolarHBondContact CB-O 3.26Å; C597-K602 PolarHBondContact N-O 2.97Å; C600-K602 PolarHBondContact O-N 3.31Å; K602-F604 HydrophobicContact CB-CE2 3.94Å; K602-F604 HydrophobicContact CB-CZ 4.21Å; K602-F604 WeakPolarHBondContact O-CD2 3.46Å; K602-F604 WeakPolarHBondContact O-CE2 3.46Å
603	A	88.4	Confident	86.1	Confident	38 Å²	38	79.1 Å²	79.1	31%	0.314	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	139.9	-175.9	0	0	0	0	0	112.7	K593 E596 G601	K593-A603 HydrophobicContact CB-CB 3.52Å; K593-A603 HydrophobicContact CD-CB 4.23Å; K593-A603 WeakPolarHBondContact CD-O 3.47Å; K593-A603 HydrophobicContact CG-CB 4.41Å; E596-A603 HydrophobicContact CG-CB 4.33Å; G601-A603 PolarHBondContact O-N 3.42Å
604	F	86.4	Confident	86	Confident	50 Å²	50	74.1 Å²	74.1	22%	0.219	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.7	-176.3	-61	-92	0	0	0	112.1	K593 Y595 C597 K602 C606 N609 L610 H613	K593-F604 CarbonylContact C-O 3.48Å; K593-F604 VanDerWaalsContact CA-O 3.29Å; K593-F604 WeakPolarHBondContact CA-O 3.32Å; Y595-F604 WeakPolarHBondContact CB-O 3.36Å; Y595-F604 WeakPolarHBondContact CD2-O 3.2Å; Y595-F604 PolarHBondContact N-O 2.84Å; Y595-F604 VanDerWaalsContact N-O 3.14Å; Y595-F604 PolarHBondContact O-N 3.39Å; C597-F604 HydrophobicContact CB-CE2 4.45Å; K602-F604 HydrophobicContact CB-CE2 3.94Å; K602-F604 HydrophobicContact CB-CZ 4.21Å; K602-F604 WeakPolarHBondContact O-CD2 3.46Å; K602-F604 WeakPolarHBondContact O-CE2 3.46Å; F604-C606 VanDerWaalsContact C-N 3.31Å; F604-C606 PolarHBondContact O-N 2.93Å; F604-N609 HydrophobicContact CB-CB 4.4Å; F604-N609 HydrophobicContact CD1-CB 4.02Å; F604-N609 HydrophobicContact CG-CB 4.47Å; F604-L610 HydrophobicContact CB-CB 4.42Å; F604-L610 HydrophobicContact CD2-CB 4.11Å; F604-L610 HydrophobicContact CD2-CD1 3.99Å; F604-L610 HydrophobicContact CE2-CD1 4.24Å; F604-L610 HydrophobicContact CG-CB 4.42Å; F604-H613 HydrophobicContact CE1-CB 4.13Å; F604-H613 HydrophobicContact CE2-CB 3.96Å; F604-H613 AromaticContact CE2-CD2 3.23Å; F604-H613 WeakPolarHBondContact CE2-CD2 3.24Å; F604-H613 AromaticContact CE2-CG 3.76Å; F604-H613 HydrophobicContact CZ-CB 3.56Å; F604-H613 AromaticContact CZ-CD2 3.35Å; F604-H613 WeakPolarHBondContact CZ-CD2 3.48Å; F604-H613 AromaticContact CZ-CG 3.42Å; F604-H613 VanDerWaalsContact CZ-CG 3.42Å
605	S	84.3	Confident	86	Confident	28 Å²	28	72.9 Å²	72.9	20%	0.196	37%	0.373	C	S	.	.	S	Bend	trans	-75	-15.3	178.2	56	0	0	0	0	114.4	R587	R587-S605 PolarHBondContact NH1-O 2.96Å
606	C	84	Confident	85.8	Confident	16 Å²	16	71.6 Å²	71.6	11%	0.108	37%	0.374	C	S	.	.	S	Bend	trans	-147.1	145	175.8	69.2	0	0	0	0	114.1	M584 Y595 F604 S608 N609 L610	M584-C606 HydrophobicContact CG-CB 4.46Å; M584-C606 HydrophobicContact SD-CB 3.97Å; Y595-C606 VanDerWaalsContact CD2-C 3.44Å; F604-C606 VanDerWaalsContact C-N 3.31Å; F604-C606 PolarHBondContact O-N 2.93Å; C606-S608 VanDerWaalsContact C-N 3.26Å; C606-S608 PolarHBondContact O-N 3.48Å; C606-S608 PolarHBondContact SG-OG 3.25Å; C606-N609 PolarHBondContact O-N 3.01Å; C606-N609 VanDerWaalsContact O-N 3.11Å; C606-N609 VanDerWaalsContact SG-CG 3.54Å; C606-N609 PolarHBondContact SG-ND2 2.84Å; C606-N609 VanDerWaalsContact SG-ND2 3.45Å; C606-L610 PolarHBondContact O-N 3.26Å
607	A	85.4	Confident	85.6	Confident	50 Å²	50	69.5 Å²	69.5	41%	0.413	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-27.9	-177.2	0	0	0	0	0	114.5	Y595 N609 L610 R611	Y595-A607 HydrophobicContact CD1-CB 3.73Å; Y595-A607 HydrophobicContact CE1-CB 3.75Å; Y595-A607 HydrophobicContact CG-CB 4.2Å; A607-N609 VanDerWaalsContact C-N 3.33Å; A607-L610 PolarHBondContact O-N 3.36Å; A607-R611 PolarHBondContact O-N 3.12Å
608	S	84.3	Confident	85.2	Confident	65 Å²	65	73 Å²	73	46%	0.455	39%	0.386	S	S	.	.	H	α-helix	trans	-70.3	-29.8	177.5	53.3	0	0	0	0	112.5	C606 K612	C606-S608 VanDerWaalsContact C-N 3.26Å; C606-S608 PolarHBondContact O-N 3.48Å; C606-S608 PolarHBondContact SG-OG 3.25Å; S608-K612 WeakPolarHBondContact O-CG 3.48Å; S608-K612 PolarHBondContact O-N 2.72Å; S608-K612 VanDerWaalsContact O-N 3.15Å
609	N	85.8	Confident	85	Confident	64 Å²	64	64.5 Å²	64.5	34%	0.342	36%	0.358	S	S	.	.	H	α-helix	trans	-76.7	-40.4	172	-74.8	-10.6	0	0	0	111.2	F604 C606 A607 R611 K612 H613	F604-N609 HydrophobicContact CB-CB 4.4Å; F604-N609 HydrophobicContact CD1-CB 4.02Å; F604-N609 HydrophobicContact CG-CB 4.47Å; C606-N609 PolarHBondContact O-N 3.01Å; C606-N609 VanDerWaalsContact O-N 3.11Å; C606-N609 VanDerWaalsContact SG-CG 3.54Å; C606-N609 PolarHBondContact SG-ND2 2.84Å; C606-N609 VanDerWaalsContact SG-ND2 3.45Å; A607-N609 VanDerWaalsContact C-N 3.33Å; N609-R611 VanDerWaalsContact C-N 3.32Å; N609-R611 PolarHBondContact O-N 3.08Å; N609-K612 PolarHBondContact O-N 3.15Å; N609-H613 WeakPolarHBondContact O-CB 3.48Å; N609-H613 PolarHBondContact O-N 3.05Å
610	L	87.5	Confident	84.9	Confident	41 Å²	41	62.4 Å²	62.4	22%	0.215	35%	0.349	C	S	.	.	H	α-helix	trans	-56	-45.5	170.1	174.4	60.3	0	0	0	111.5	E596 C597 F604 C606 A607 K612 H613 G614	E596-L610 WeakPolarHBondContact O-CD2 3.26Å; C597-L610 HydrophobicContact CB-CD1 3.55Å; F604-L610 HydrophobicContact CB-CB 4.42Å; F604-L610 HydrophobicContact CD2-CB 4.11Å; F604-L610 HydrophobicContact CD2-CD1 3.99Å; F604-L610 HydrophobicContact CE2-CD1 4.24Å; F604-L610 HydrophobicContact CG-CB 4.42Å; C606-L610 PolarHBondContact O-N 3.26Å; A607-L610 PolarHBondContact O-N 3.36Å; L610-K612 PolarHBondContact O-N 2.78Å; L610-H613 CarbonylContact O-C 3.13Å; L610-H613 WeakPolarHBondContact O-CB 3.48Å; L610-H613 PolarHBondContact O-N 3.31Å; L610-H613 VanDerWaalsContact O-N 3.1Å; L610-G614 PolarHBondContact O-N 3.38Å
611	R	84.8	Confident	84.9	Confident	188 Å²	188	66 Å²	66	71%	0.709	36%	0.359	S	S	*	.	H	α-helix	trans	-64.3	-37	177	-169	179.1	69.6	176.9	2.8	113.2	A607 N609 H613	A607-R611 PolarHBondContact O-N 3.12Å; N609-R611 VanDerWaalsContact C-N 3.32Å; N609-R611 PolarHBondContact O-N 3.08Å; R611-H613 VanDerWaalsContact C-N 3.3Å
612	K	83.9	Confident	85.1	Confident	125 Å²	125	67 Å²	67	54%	0.543	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-35.3	172.1	-75.3	172.2	-179.7	177.4	0	111.7	S608 N609 L610	S608-K612 WeakPolarHBondContact O-CG 3.48Å; S608-K612 PolarHBondContact O-N 2.72Å; S608-K612 VanDerWaalsContact O-N 3.15Å; N609-K612 PolarHBondContact O-N 3.15Å; L610-K612 PolarHBondContact O-N 2.78Å
613	H	86.7	Confident	85.1	Confident	23 Å²	23	65 Å²	65	11%	0.106	35%	0.346	C	S	.	.	H	α-helix	trans	-73.2	-35.7	176.9	171.9	46.3	0	0	0	113	C600 F604 N609 L610 R611 R615 T616 H617	C600-H613 PolarHBondContact SG-NE2 3.27Å; F604-H613 HydrophobicContact CE1-CB 4.13Å; F604-H613 HydrophobicContact CE2-CB 3.96Å; F604-H613 AromaticContact CE2-CD2 3.23Å; F604-H613 WeakPolarHBondContact CE2-CD2 3.24Å; F604-H613 AromaticContact CE2-CG 3.76Å; F604-H613 HydrophobicContact CZ-CB 3.56Å; F604-H613 AromaticContact CZ-CD2 3.35Å; F604-H613 WeakPolarHBondContact CZ-CD2 3.48Å; F604-H613 AromaticContact CZ-CG 3.42Å; F604-H613 VanDerWaalsContact CZ-CG 3.42Å; N609-H613 WeakPolarHBondContact O-CB 3.48Å; N609-H613 PolarHBondContact O-N 3.05Å; L610-H613 CarbonylContact O-C 3.13Å; L610-H613 WeakPolarHBondContact O-CB 3.48Å; L610-H613 PolarHBondContact O-N 3.31Å; L610-H613 VanDerWaalsContact O-N 3.1Å; R611-H613 VanDerWaalsContact C-N 3.3Å; H613-R615 PolarHBondContact O-N 2.84Å; H613-T616 PolarHBondContact CE1-OG1 2.97Å; H613-T616 VanDerWaalsContact CE1-OG1 3.26Å; H613-T616 PolarHBondContact ND1-OG1 3.13Å; H613-T616 WeakPolarHBondContact O-CB 3.24Å; H613-T616 PolarHBondContact O-N 2.73Å; H613-T616 PolarHBondContact O-OG1 3.43Å; H613-H617 AromaticContact CD2-NE2 3.39Å; H613-H617 PolarHBondContact CD2-NE2 3.34Å; H613-H617 AromaticContact CE1-CE1 3.72Å; H613-H617 AromaticContact CE1-NE2 2.93Å; H613-H617 PolarHBondContact CE1-NE2 3.46Å; H613-H617 AromaticContact ND1-NE2 3.93Å; H613-H617 AromaticContact NE2-NE2 2.48Å; H613-H617 PolarHBondContact NE2-NE2 2.99Å
614	G	83.9	Confident	85.1	Confident	21 Å²	21	69 Å²	69	22%	0.216	36%	0.359	C	S	.	.	H	α-helix	trans	-52	-35	176.2	0	0	0	0	0	113.4	L610 T616 H617 T618	L610-G614 PolarHBondContact O-N 3.38Å; G614-T616 PolarHBondContact O-N 3.37Å; G614-T616 VanDerWaalsContact O-N 3.14Å; G614-H617 WeakPolarHBondContact O-CB 3.47Å; G614-H617 PolarHBondContact O-N 3.1Å; G614-T618 PolarHBondContact O-N 3.25Å
615	R	86.3	Confident	85.3	Confident	43 Å²	43	66.7 Å²	66.7	16%	0.162	35%	0.349	C	S	.	.	H	α-helix	trans	-63.1	-13.5	173.4	-60.6	-173.4	170.4	162.4	-1.2	115.4	H613 H617 G619 E620 R633	H613-R615 PolarHBondContact O-N 2.84Å; R615-H617 VanDerWaalsContact C-N 3.34Å; R615-G619 CarbonylContact O-C 3.59Å; R615-G619 PolarHBondContact O-N 2.93Å; R615-E620 HydrophobicContact CB-CB 4.01Å; R615-E620 HydrophobicContact CG-CB 3.82Å; R615-E620 IonicContact NE-OE2 3.15Å; R615-E620 PolarHBondContact NE-OE2 3.48Å; R615-R633 PolarHBondContact NH1-O 3.16Å; R615-R633 PolarHBondContact O-NE 3.23Å; R615-R633 PolarHBondContact O-NH2 3.45Å
616	T	84.7	Confident	85.4	Confident	59 Å²	59	75.3 Å²	75.3	36%	0.362	38%	0.383	S	S	.	.	H	α-helix	trans	-75.4	-27.9	170.3	67.9	0	0	0	0	112.2	H613 G614 R633	H613-T616 PolarHBondContact CE1-OG1 2.97Å; H613-T616 VanDerWaalsContact CE1-OG1 3.26Å; H613-T616 PolarHBondContact ND1-OG1 3.13Å; H613-T616 WeakPolarHBondContact O-CB 3.24Å; H613-T616 PolarHBondContact O-N 2.73Å; H613-T616 PolarHBondContact O-OG1 3.43Å; G614-T616 PolarHBondContact O-N 3.37Å; G614-T616 VanDerWaalsContact O-N 3.14Å; T616-R633 PolarHBondContact O-NH2 3.03Å
617	H	83.8	Confident	85.5	Confident	77 Å²	77	80.7 Å²	80.7	36%	0.356	41%	0.406	S	S	.	.	H	α-helix	trans	-89.2	-47.6	177.4	-53.9	-50.6	0	0	0	111.6	C597 Q599 C600 H613 G614 R615 G619	C597-H617 PolarHBondContact SG-NE2 2.94Å; Q599-H617 PolarHBondContact OE1-CD2 2.84Å; Q599-H617 VanDerWaalsContact OE1-CD2 3.25Å; C600-H617 WeakPolarHBondContact CB-CE1 3.47Å; C600-H617 PolarHBondContact SG-CE1 3.17Å; C600-H617 PolarHBondContact SG-NE2 2.93Å; H613-H617 AromaticContact CD2-NE2 3.39Å; H613-H617 PolarHBondContact CD2-NE2 3.34Å; H613-H617 AromaticContact CE1-CE1 3.72Å; H613-H617 AromaticContact CE1-NE2 2.93Å; H613-H617 PolarHBondContact CE1-NE2 3.46Å; H613-H617 AromaticContact ND1-NE2 3.93Å; H613-H617 AromaticContact NE2-NE2 2.48Å; H613-H617 PolarHBondContact NE2-NE2 2.99Å; G614-H617 WeakPolarHBondContact O-CB 3.47Å; G614-H617 PolarHBondContact O-N 3.1Å; R615-H617 VanDerWaalsContact C-N 3.34Å; H617-G619 PolarHBondContact O-N 2.98Å; H617-G619 VanDerWaalsContact O-N 3.16Å
618	T	81.8	Confident	85.6	Confident	80 Å²	80	80.6 Å²	80.6	49%	0.491	40%	0.402	S	S	.	.	S	Bend	trans	-74.2	-0.7	179.7	61.6	0	0	0	0	114.3	G614 E620	G614-T618 PolarHBondContact O-N 3.25Å; T618-E620 PolarHBondContact O-N 2.99Å; T618-E620 WeakPolarHBondContact OG1-CG 3.39Å; T618-E620 PolarHBondContact OG1-OE1 3.21Å
619	G	81.2	Confident	85.6	Confident	34 Å²	34	79.5 Å²	79.5	35%	0.351	40%	0.401	S	S	.	.			trans	74.8	-31.9	-176.1	0	0	0	0	0	114.8	R615 H617 K621	R615-G619 CarbonylContact O-C 3.59Å; R615-G619 PolarHBondContact O-N 2.93Å; H617-G619 PolarHBondContact O-N 2.98Å; H617-G619 VanDerWaalsContact O-N 3.16Å; G619-K621 PolarHBondContact O-N 2.67Å
620	E	83.1	Confident	85.6	Confident	90 Å²	90	82.4 Å²	82.4	42%	0.421	41%	0.411	S	S	.	.			trans	-25	120.7	-176.8	-88	175	-112.4	0	0	115.8	R615 T618 P622 R633	R615-E620 HydrophobicContact CB-CB 4.01Å; R615-E620 HydrophobicContact CG-CB 3.82Å; R615-E620 IonicContact NE-OE2 3.15Å; R615-E620 PolarHBondContact NE-OE2 3.48Å; T618-E620 PolarHBondContact O-N 2.99Å; T618-E620 WeakPolarHBondContact OG1-CG 3.39Å; T618-E620 PolarHBondContact OG1-OE1 3.21Å; E620-P622 HydrophobicContact CB-CG 4.32Å; E620-R633 WeakPolarHBondContact O-CG 3.38Å
621	K	87	Confident	85.7	Confident	122 Å²	122	82 Å²	82	53%	0.53	41%	0.413	S	S	.	.			trans	-125.2	70.1	175.6	-74	158.6	165.7	-175.6	0	112.1	G619 Y623 A631 F632 R633	G619-K621 PolarHBondContact O-N 2.67Å; K621-Y623 PolarHBondContact O-N 3.19Å; K621-A631 HydrophobicContact CB-CB 3.59Å; K621-A631 HydrophobicContact CD-CB 4.11Å; K621-A631 VanDerWaalsContact CD-O 3.25Å; K621-A631 WeakPolarHBondContact CD-O 3.39Å; K621-A631 HydrophobicContact CG-CB 4.41Å; K621-A631 WeakPolarHBondContact CG-O 3.23Å; K621-F632 CarbonylContact C-O 3.53Å; K621-F632 VanDerWaalsContact CA-O 3.24Å; K621-F632 WeakPolarHBondContact CA-O 3.25Å; K621-R633 HydrophobicContact CG-CG 4.09Å
622	P	86.6	Confident	85.8	Confident	68 Å²	68	75.3 Å²	75.3	44%	0.442	39%	0.389	S	S	.	.			trans	-77.9	21.6	-167.4	-19	37.5	0	0	0	115.9	E620	E620-P622 HydrophobicContact CB-CG 4.32Å
623	Y	87.4	Confident	85.7	Confident	82 Å²	82	74.1 Å²	74.1	32%	0.322	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	99	-178.7	-55	-75.5	0	0	0	108.9	K621 F632 S634 A635	K621-Y623 PolarHBondContact O-N 3.19Å; Y623-F632 WeakPolarHBondContact CD2-O 3.12Å; Y623-F632 PolarHBondContact N-O 3.49Å; Y623-F632 PolarHBondContact O-N 2.92Å; Y623-S634 VanDerWaalsContact CD2-CA 3.45Å; Y623-A635 HydrophobicContact CD1-CB 3.85Å; Y623-A635 VanDerWaalsContact CD2-N 3.3Å; Y623-A635 HydrophobicContact CE1-CB 3.84Å; Y623-A635 HydrophobicContact CG-CB 4.24Å
624	E	89.1	Confident	85.6	Confident	124 Å²	124	74.4 Å²	74.4	58%	0.579	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.2	-175.4	-165.8	179.6	150.3	0	0	111.9	K626 A631	E624-K626 PolarHBondContact O-N 2.88Å; E624-A631 HydrophobicContact CB-CB 4.44Å; E624-A631 HydrophobicContact CG-CB 4.33Å
625	C	90.2	Very high	85.7	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.007	40%	0.395	C	S	.	.			trans	-82.2	109.7	174.5	-170.9	0	0	0	0	110.7	Q627 C628 G629 K630 F632 L638	C625-Q627 PolarHBondContact O-N 3.22Å; C625-C628 PolarHBondContact O-N 3.44Å; C625-C628 VanDerWaalsContact O-N 3.09Å; C625-G629 PolarHBondContact O-N 3.35Å; C625-K630 PolarHBondContact N-O 3.29Å; C625-F632 HydrophobicContact CB-CE2 4.49Å; C625-L638 HydrophobicContact CB-CD1 3.47Å; C625-L638 VanDerWaalsContact CB-CD1 3.47Å
626	K	87	Confident	85.6	Confident	208 Å²	208	77.3 Å²	77.3	90%	0.904	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-21.7	179.9	-66	-171.1	174.9	-169.7	0	114.7	E624	E624-K626 PolarHBondContact O-N 2.88Å
627	Q	85	Confident	85.7	Confident	129 Å²	129	77.7 Å²	77.7	60%	0.603	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-14.3	-178.2	-70.1	173.9	-28.4	0	0	113.9	C625 H645	C625-Q627 PolarHBondContact O-N 3.22Å; Q627-H645 PolarHBondContact OE1-CD2 3.38Å
628	C	87.4	Confident	85.9	Confident	48 Å²	48	75 Å²	75	32%	0.324	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.4	11.5	-176.7	70.4	0	0	0	0	116.2	C625 K630 H641 H645	C625-C628 PolarHBondContact O-N 3.44Å; C625-C628 VanDerWaalsContact O-N 3.09Å; C628-K630 PolarHBondContact O-N 3.04Å; C628-H641 PolarHBondContact SG-NE2 3.21Å; C628-H645 PolarHBondContact SG-NE2 3.41Å
629	G	84.1	Confident	86.1	Confident	43 Å²	43	76.8 Å²	76.8	44%	0.443	40%	0.403	S	S	.	.			trans	66.5	0.7	179.5	0	0	0	0	0	115.6	C625 A631	C625-G629 PolarHBondContact O-N 3.35Å; G629-A631 PolarHBondContact O-N 3.07Å
630	K	86.7	Confident	86.3	Confident	125 Å²	125	78.4 Å²	78.4	54%	0.543	40%	0.403	S	S	.	.			trans	-73.2	119	-176.1	-71.4	175.4	-176.2	167.4	0	110.2	C625 C628 F632	C625-K630 PolarHBondContact N-O 3.29Å; C628-K630 PolarHBondContact O-N 3.04Å; K630-F632 HydrophobicContact CB-CE2 3.82Å; K630-F632 HydrophobicContact CB-CZ 4.1Å; K630-F632 VanDerWaalsContact O-CD2 3.24Å; K630-F632 WeakPolarHBondContact O-CD2 3.5Å; K630-F632 WeakPolarHBondContact O-CE2 3.45Å
631	A	89.2	Confident	86.5	Confident	31 Å²	31	75.4 Å²	75.4	26%	0.256	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	137.3	-176.7	0	0	0	0	0	113.1	K621 E624 G629	K621-A631 HydrophobicContact CB-CB 3.59Å; K621-A631 HydrophobicContact CD-CB 4.11Å; K621-A631 VanDerWaalsContact CD-O 3.25Å; K621-A631 WeakPolarHBondContact CD-O 3.39Å; K621-A631 HydrophobicContact CG-CB 4.41Å; K621-A631 WeakPolarHBondContact CG-O 3.23Å; E624-A631 HydrophobicContact CB-CB 4.44Å; E624-A631 HydrophobicContact CG-CB 4.33Å; G629-A631 PolarHBondContact O-N 3.07Å
632	F	86	Confident	86.4	Confident	48 Å²	48	73 Å²	73	21%	0.211	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.1	-172.4	-63.2	-90.5	0	0	0	113	K621 Y623 C625 K630 S634 N637 L638 H641	K621-F632 CarbonylContact C-O 3.53Å; K621-F632 VanDerWaalsContact CA-O 3.24Å; K621-F632 WeakPolarHBondContact CA-O 3.25Å; Y623-F632 WeakPolarHBondContact CD2-O 3.12Å; Y623-F632 PolarHBondContact N-O 3.49Å; Y623-F632 PolarHBondContact O-N 2.92Å; C625-F632 HydrophobicContact CB-CE2 4.49Å; K630-F632 HydrophobicContact CB-CE2 3.82Å; K630-F632 HydrophobicContact CB-CZ 4.1Å; K630-F632 VanDerWaalsContact O-CD2 3.24Å; K630-F632 WeakPolarHBondContact O-CD2 3.5Å; K630-F632 WeakPolarHBondContact O-CE2 3.45Å; F632-S634 VanDerWaalsContact C-N 3.33Å; F632-S634 PolarHBondContact O-N 3.37Å; F632-N637 HydrophobicContact CB-CB 4.32Å; F632-N637 HydrophobicContact CD1-CB 3.99Å; F632-N637 HydrophobicContact CG-CB 4.44Å; F632-L638 HydrophobicContact CB-CB 4.38Å; F632-L638 HydrophobicContact CD2-CB 4.12Å; F632-L638 HydrophobicContact CD2-CD1 4.05Å; F632-L638 HydrophobicContact CE2-CD1 4.31Å; F632-L638 HydrophobicContact CG-CB 4.41Å; F632-H641 HydrophobicContact CE1-CB 4.15Å; F632-H641 HydrophobicContact CE2-CB 4.1Å; F632-H641 AromaticContact CE2-CD2 3.26Å; F632-H641 WeakPolarHBondContact CE2-CD2 3.33Å; F632-H641 AromaticContact CE2-CG 3.89Å; F632-H641 HydrophobicContact CZ-CB 3.64Å; F632-H641 AromaticContact CZ-CD2 3.25Å; F632-H641 WeakPolarHBondContact CZ-CD2 3.46Å; F632-H641 AromaticContact CZ-CG 3.46Å; F632-H641 VanDerWaalsContact CZ-CG 3.46Å; F632-H641 AromaticContact CZ-NE2 3.98Å
633	R	82.9	Confident	86.4	Confident	100 Å²	100	71.9 Å²	71.9	38%	0.377	37%	0.366	S	S	.	.	S	Bend	trans	-74.9	-18.7	-179.6	-59.3	-172.7	161.6	150.6	-10.8	114	R615 T616 E620 K621	R615-R633 PolarHBondContact NH1-O 3.16Å; R615-R633 PolarHBondContact O-NE 3.23Å; R615-R633 PolarHBondContact O-NH2 3.45Å; T616-R633 PolarHBondContact O-NH2 3.03Å; E620-R633 WeakPolarHBondContact O-CG 3.38Å; K621-R633 HydrophobicContact CG-CG 4.09Å
634	S	83.8	Confident	86.3	Confident	29 Å²	29	72 Å²	72	20%	0.203	38%	0.375	C	S	.	.	S	Bend	trans	-146.1	139.2	-176.8	44.4	0	0	0	0	112.6	Y623 F632 S636 N637 L638	Y623-S634 VanDerWaalsContact CD2-CA 3.45Å; F632-S634 VanDerWaalsContact C-N 3.33Å; F632-S634 PolarHBondContact O-N 3.37Å; S634-S636 PolarHBondContact O-N 3.46Å; S634-N637 WeakPolarHBondContact O-CB 3.34Å; S634-N637 PolarHBondContact O-N 2.89Å; S634-N637 PolarHBondContact OG-OD1 3.38Å; S634-L638 PolarHBondContact O-N 2.84Å
635	A	85.8	Confident	86.1	Confident	50 Å²	50	69.9 Å²	69.9	41%	0.413	37%	0.365	S	S	.	.	H	α-helix	trans	-56.9	-33.4	178.4	0	0	0	0	0	113.7	Y623 N637 L638 Q639	Y623-A635 HydrophobicContact CD1-CB 3.85Å; Y623-A635 VanDerWaalsContact CD2-N 3.3Å; Y623-A635 HydrophobicContact CE1-CB 3.84Å; Y623-A635 HydrophobicContact CG-CB 4.24Å; A635-N637 PolarHBondContact O-N 3.08Å; A635-L638 PolarHBondContact O-N 3.13Å; A635-Q639 PolarHBondContact O-N 3.06Å
636	S	85	Confident	85.7	Confident	76 Å²	76	73.5 Å²	73.5	53%	0.531	39%	0.388	S	S	.	.	H	α-helix	trans	-60.5	-29.2	173.7	55.4	0	0	0	0	113.5	S634 M640	S634-S636 PolarHBondContact O-N 3.46Å; S636-M640 VanDerWaalsContact O-CB 3.27Å; S636-M640 WeakPolarHBondContact O-CB 3.48Å; S636-M640 PolarHBondContact O-N 3.14Å
637	N	86	Confident	85.4	Confident	66 Å²	66	65.8 Å²	65.8	35%	0.353	37%	0.367	S	S	.	.	H	α-helix	trans	-87	-31.9	-178.5	-63.4	34	0	0	0	110.7	F632 S634 A635 H641	F632-N637 HydrophobicContact CB-CB 4.32Å; F632-N637 HydrophobicContact CD1-CB 3.99Å; F632-N637 HydrophobicContact CG-CB 4.44Å; S634-N637 WeakPolarHBondContact O-CB 3.34Å; S634-N637 PolarHBondContact O-N 2.89Å; S634-N637 PolarHBondContact OG-OD1 3.38Å; A635-N637 PolarHBondContact O-N 3.08Å; N637-H641 WeakPolarHBondContact O-CB 3.42Å; N637-H641 PolarHBondContact O-N 3.46Å; N637-H641 VanDerWaalsContact O-N 3.16Å
638	L	88.7	Confident	85.2	Confident	20 Å²	20	64.1 Å²	64.1	11%	0.105	36%	0.359	C	S	.	.	H	α-helix	trans	-61.7	-53.9	166.6	172.6	58.5	0	0	0	110.6	C625 F632 S634 A635 M640 H641 E642	C625-L638 HydrophobicContact CB-CD1 3.47Å; C625-L638 VanDerWaalsContact CB-CD1 3.47Å; F632-L638 HydrophobicContact CB-CB 4.38Å; F632-L638 HydrophobicContact CD2-CB 4.12Å; F632-L638 HydrophobicContact CD2-CD1 4.05Å; F632-L638 HydrophobicContact CE2-CD1 4.31Å; F632-L638 HydrophobicContact CG-CB 4.41Å; S634-L638 PolarHBondContact O-N 2.84Å; A635-L638 PolarHBondContact O-N 3.13Å; L638-M640 VanDerWaalsContact C-N 3.29Å; L638-M640 PolarHBondContact O-N 3.41Å; L638-H641 CarbonylContact O-C 3.11Å; L638-H641 WeakPolarHBondContact O-CA 3.48Å; L638-H641 WeakPolarHBondContact O-CB 3.35Å; L638-H641 PolarHBondContact O-N 3.08Å; L638-E642 HydrophobicContact CD1-CG 3.86Å; L638-E642 HydrophobicContact CG-CG 4.28Å; L638-E642 WeakPolarHBondContact O-CG 3.42Å; L638-E642 PolarHBondContact O-N 2.61Å
639	Q	85.8	Confident	85.1	Confident	118 Å²	118	67.4 Å²	67.4	55%	0.551	37%	0.368	S	S	*	.	H	α-helix	trans	-58.3	-39.4	179.1	-168.4	-175.4	17.2	0	0	112.8	A635 H641 E642 R643	A635-Q639 PolarHBondContact O-N 3.06Å; Q639-H641 PolarHBondContact O-N 3.04Å; Q639-E642 WeakPolarHBondContact CA-OE2 3.43Å; Q639-E642 PolarHBondContact O-N 2.66Å; Q639-R643 PolarHBondContact O-N 2.73Å
640	M	85.2	Confident	85.1	Confident	69 Å²	69	68.4 Å²	68.4	34%	0.34	37%	0.366	S	S	.	.	H	α-helix	trans	-67.6	-21.7	174.5	-178.1	-179.7	60.5	0	0	113.1	S636 L638 K662	S636-M640 VanDerWaalsContact O-CB 3.27Å; S636-M640 WeakPolarHBondContact O-CB 3.48Å; S636-M640 PolarHBondContact O-N 3.14Å; L638-M640 VanDerWaalsContact C-N 3.29Å; L638-M640 PolarHBondContact O-N 3.41Å; M640-K662 HydrophobicContact CG-CD 4.44Å; M640-K662 HydrophobicContact CG-CG 4.12Å; M640-K662 HydrophobicContact SD-CD 3.81Å; M640-K662 VanDerWaalsContact SD-CE 3.55Å; M640-K662 HydrophobicContact SD-CG 3.85Å
641	H	87.1	Confident	85.1	Confident	27 Å²	27	66 Å²	66	13%	0.125	35%	0.354	C	S	.	.	H	α-helix	trans	-90.4	-34.3	174.7	171.9	48.7	0	0	0	112.7	C628 F632 N637 L638 Q639 R643 T644 H645	C628-H641 PolarHBondContact SG-NE2 3.21Å; F632-H641 HydrophobicContact CE1-CB 4.15Å; F632-H641 HydrophobicContact CE2-CB 4.1Å; F632-H641 AromaticContact CE2-CD2 3.26Å; F632-H641 WeakPolarHBondContact CE2-CD2 3.33Å; F632-H641 AromaticContact CE2-CG 3.89Å; F632-H641 HydrophobicContact CZ-CB 3.64Å; F632-H641 AromaticContact CZ-CD2 3.25Å; F632-H641 WeakPolarHBondContact CZ-CD2 3.46Å; F632-H641 AromaticContact CZ-CG 3.46Å; F632-H641 VanDerWaalsContact CZ-CG 3.46Å; F632-H641 AromaticContact CZ-NE2 3.98Å; N637-H641 WeakPolarHBondContact O-CB 3.42Å; N637-H641 PolarHBondContact O-N 3.46Å; N637-H641 VanDerWaalsContact O-N 3.16Å; L638-H641 CarbonylContact O-C 3.11Å; L638-H641 WeakPolarHBondContact O-CA 3.48Å; L638-H641 WeakPolarHBondContact O-CB 3.35Å; L638-H641 PolarHBondContact O-N 3.08Å; Q639-H641 PolarHBondContact O-N 3.04Å; H641-R643 PolarHBondContact O-N 3.3Å; H641-T644 PolarHBondContact ND1-OG1 2.86Å; H641-T644 WeakPolarHBondContact O-CA 3.42Å; H641-T644 WeakPolarHBondContact O-CB 3.45Å; H641-T644 PolarHBondContact O-N 3.06Å; H641-T644 PolarHBondContact O-OG1 2.81Å; H641-H645 AromaticContact CE1-CE1 3.9Å; H641-H645 AromaticContact CE1-NE2 3.49Å; H641-H645 PolarHBondContact CE1-NE2 3.03Å; H641-H645 AromaticContact NE2-NE2 3.39Å; H641-H645 PolarHBondContact NE2-NE2 2.88Å
642	E	86.4	Confident	85	Confident	70 Å²	70	71 Å²	71	33%	0.327	37%	0.373	S	S	.	.	H	α-helix	trans	-58.1	-35.5	174.6	-71.2	165.5	150.5	0	0	111	L638 Q639 T644 H645 T646	L638-E642 HydrophobicContact CD1-CG 3.86Å; L638-E642 HydrophobicContact CG-CG 4.28Å; L638-E642 WeakPolarHBondContact O-CG 3.42Å; L638-E642 PolarHBondContact O-N 2.61Å; Q639-E642 WeakPolarHBondContact CA-OE2 3.43Å; Q639-E642 PolarHBondContact O-N 2.66Å; E642-T644 PolarHBondContact O-N 3.35Å; E642-T644 VanDerWaalsContact O-N 3.13Å; E642-H645 WeakPolarHBondContact O-CB 3.38Å; E642-H645 PolarHBondContact O-N 3.39Å; E642-T646 PolarHBondContact O-N 3.39Å; E642-T646 VanDerWaalsContact O-N 3.09Å
643	R	86.7	Confident	85	Confident	46 Å²	46	69 Å²	69	17%	0.174	36%	0.364	C	S	.	.	H	α-helix	trans	-56.6	-22.8	167.9	-68	-173.2	176.3	164.5	1.7	115.7	Q639 H641 H645 G647 E648 C661	Q639-R643 PolarHBondContact O-N 2.73Å; H641-R643 PolarHBondContact O-N 3.3Å; R643-H645 VanDerWaalsContact C-N 3.3Å; R643-G647 CarbonylContact O-C 3.4Å; R643-G647 WeakPolarHBondContact O-CA 3.32Å; R643-G647 PolarHBondContact O-N 3.47Å; R643-G647 VanDerWaalsContact O-N 3.07Å; R643-E648 HydrophobicContact CB-CB 4.01Å; R643-E648 HydrophobicContact CG-CB 3.78Å; R643-E648 IonicContact NE-OE2 3.86Å; R643-E648 PolarHBondContact O-N 3.29Å; R643-C661 PolarHBondContact NH1-O 2.89Å
644	T	84.3	Confident	85.1	Confident	83 Å²	83	74.1 Å²	74.1	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-81.7	-11.4	175.5	66.4	0	0	0	0	113	H641 E642	H641-T644 PolarHBondContact ND1-OG1 2.86Å; H641-T644 WeakPolarHBondContact O-CA 3.42Å; H641-T644 WeakPolarHBondContact O-CB 3.45Å; H641-T644 PolarHBondContact O-N 3.06Å; H641-T644 PolarHBondContact O-OG1 2.81Å; E642-T644 PolarHBondContact O-N 3.35Å; E642-T644 VanDerWaalsContact O-N 3.13Å
645	H	83.9	Confident	85	Confident	80 Å²	80	78 Å²	78	37%	0.37	40%	0.404	S	S	.	.	H	α-helix	trans	-95	-42.7	168.4	-59.4	-57.2	0	0	0	111.7	Q627 C628 H641 E642 R643 G647	Q627-H645 PolarHBondContact OE1-CD2 3.38Å; C628-H645 PolarHBondContact SG-NE2 3.41Å; H641-H645 AromaticContact CE1-CE1 3.9Å; H641-H645 AromaticContact CE1-NE2 3.49Å; H641-H645 PolarHBondContact CE1-NE2 3.03Å; H641-H645 AromaticContact NE2-NE2 3.39Å; H641-H645 PolarHBondContact NE2-NE2 2.88Å; E642-H645 WeakPolarHBondContact O-CB 3.38Å; E642-H645 PolarHBondContact O-N 3.39Å; R643-H645 VanDerWaalsContact C-N 3.3Å; H645-G647 VanDerWaalsContact C-N 3.27Å; H645-G647 PolarHBondContact O-N 3.15Å
646	T	82.7	Confident	85	Confident	78 Å²	78	77.7 Å²	77.7	48%	0.479	40%	0.399	S	S	.	.	H	α-helix	trans	-76.9	-11	178.5	62.9	0	0	0	0	113.9	E642 E648	E642-T646 PolarHBondContact O-N 3.39Å; E642-T646 VanDerWaalsContact O-N 3.09Å; T646-E648 PolarHBondContact O-N 3.24Å; T646-E648 WeakPolarHBondContact OG1-CG 3.21Å; T646-E648 PolarHBondContact OG1-OE1 2.93Å
647	G	80.6	Confident	84.7	Confident	45 Å²	45	82.4 Å²	82.4	46%	0.464	41%	0.412	S	S	.	.			trans	74.6	-0.8	-175.6	0	0	0	0	0	114.6	R643 H645 K649	R643-G647 CarbonylContact O-C 3.4Å; R643-G647 WeakPolarHBondContact O-CA 3.32Å; R643-G647 PolarHBondContact O-N 3.47Å; R643-G647 VanDerWaalsContact O-N 3.07Å; H645-G647 VanDerWaalsContact C-N 3.27Å; H645-G647 PolarHBondContact O-N 3.15Å; G647-K649 WeakPolarHBondContact O-CG 3.35Å; G647-K649 PolarHBondContact O-N 3.43Å
648	E	81.3	Confident	84.6	Confident	94 Å²	94	85.3 Å²	85.3	44%	0.439	42%	0.422	S	S	.	.			trans	-51.6	122.5	-178.5	-88.9	172.1	-117.2	0	0	113.3	R643 T646 P650 C661	R643-E648 HydrophobicContact CB-CB 4.01Å; R643-E648 HydrophobicContact CG-CB 3.78Å; R643-E648 IonicContact NE-OE2 3.86Å; R643-E648 PolarHBondContact O-N 3.29Å; T646-E648 PolarHBondContact O-N 3.24Å; T646-E648 WeakPolarHBondContact OG1-CG 3.21Å; T646-E648 PolarHBondContact OG1-OE1 2.93Å; E648-P650 HydrophobicContact CB-CG 4.48Å; E648-C661 WeakPolarHBondContact O-CB 3.47Å
649	K	84.9	Confident	84.5	Confident	117 Å²	117	86 Å²	86	51%	0.509	43%	0.43	S	S	.	.			trans	-127.4	69	177.7	-70.1	159.1	-174.9	175	0	111.7	G647 Y651 A659 F660	G647-K649 WeakPolarHBondContact O-CG 3.35Å; G647-K649 PolarHBondContact O-N 3.43Å; K649-Y651 PolarHBondContact O-N 3.14Å; K649-A659 HydrophobicContact CB-CB 3.53Å; K649-A659 HydrophobicContact CD-CB 3.87Å; K649-A659 WeakPolarHBondContact CD-O 3.45Å; K649-A659 HydrophobicContact CG-CB 4.28Å; K649-F660 CarbonylContact C-O 3.53Å; K649-F660 VanDerWaalsContact CA-O 3.29Å; K649-F660 WeakPolarHBondContact CA-O 3.36Å
650	P	85.3	Confident	84.4	Confident	64 Å²	64	82.8 Å²	82.8	42%	0.416	41%	0.414	S	S	.	.			trans	-72.2	21	-168	-19	35.5	0	0	0	116.3	E648	E648-P650 HydrophobicContact CB-CG 4.48Å
651	Y	85.9	Confident	84.3	Confident	74 Å²	74	81.2 Å²	81.2	29%	0.29	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	90.4	-177.9	-51.7	-68.5	0	0	0	108.7	K649 F660 K662 F663	K649-Y651 PolarHBondContact O-N 3.14Å; Y651-F660 WeakPolarHBondContact CD2-O 3.11Å; Y651-F660 PolarHBondContact N-O 3.43Å; Y651-F660 PolarHBondContact O-N 3.13Å; Y651-K662 VanDerWaalsContact CD2-C 3.49Å; Y651-F663 HydrophobicContact CD1-CB 4.13Å; Y651-F663 AromaticContact CD1-CD2 3.78Å; Y651-F663 HydrophobicContact CD1-CD2 3.78Å; Y651-F663 HydrophobicContact CD1-CG 4.44Å; Y651-F663 HydrophobicContact CD2-CB 4.31Å; Y651-F663 VanDerWaalsContact CD2-N 3.33Å; Y651-F663 HydrophobicContact CE1-CB 3.85Å; Y651-F663 AromaticContact CE1-CD2 3.94Å; Y651-F663 HydrophobicContact CE1-CD2 3.94Å; Y651-F663 HydrophobicContact CE1-CG 4.29Å; Y651-F663 HydrophobicContact CE2-CB 4.05Å; Y651-F663 VanDerWaalsContact CE2-N 3.31Å; Y651-F663 HydrophobicContact CG-CB 4.36Å; Y651-F663 HydrophobicContact CG-CD2 4.45Å
652	E	86.3	Confident	84.1	Confident	138 Å²	138	83.9 Å²	83.9	65%	0.645	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	131	-174.3	-72.5	166.5	178.9	0	0	111.4	A659 F666	E652-A659 HydrophobicContact CG-CB 3.67Å; E652-F666 WeakPolarHBondContact O-CE2 3.5Å
653	C	87.4	Confident	84	Confident	4 Å²	4	85.2 Å²	85.2	3%	0.027	43%	0.426	C	S	.	.			trans	-80.7	115.5	172.9	-178.5	0	0	0	0	110.4	E655 E657 K658 F666 H673	C653-E655 PolarHBondContact O-N 3.06Å; C653-E655 PolarHBondContact SG-N 3.47Å; C653-E657 WeakPolarHBondContact O-CA 3.4Å; C653-E657 PolarHBondContact O-N 3.1Å; C653-K658 WeakPolarHBondContact CB-O 3.34Å; C653-K658 PolarHBondContact N-O 3.06Å; C653-F666 HydrophobicContact CB-CE2 4.31Å; C653-H673 VanDerWaalsContact SG-CD2 3.57Å; C653-H673 PolarHBondContact SG-NE2 2.74Å
654	K	83.8	Confident	83.9	Confident	208 Å²	208	86.5 Å²	86.5	90%	0.904	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.9	176.7	-64	-168.9	174.6	-167	0	114.4
655	E	82.3	Confident	84	Confident	110 Å²	110	85 Å²	85	51%	0.514	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-15.4	-174.2	-61.2	164.3	145.7	0	0	112.8	C653 H673	C653-E655 PolarHBondContact O-N 3.06Å; C653-E655 PolarHBondContact SG-N 3.47Å; E655-H673 VanDerWaalsContact OE2-CB 3.32Å; E655-H673 WeakPolarHBondContact OE2-CB 3.34Å; E655-H673 IonicContact OE2-CD2 3.23Å; E655-H673 PolarHBondContact OE2-CD2 3.41Å; E655-H673 IonicContact OE2-CG 3.43Å
656	C	85.7	Confident	84.1	Confident	44 Å²	44	82.8 Å²	82.8	30%	0.297	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.7	23.2	173.3	71.9	0	0	0	0	114.8	K658 H669 H673	C656-K658 PolarHBondContact O-N 2.86Å; C656-H669 PolarHBondContact SG-CE1 3.29Å; C656-H669 PolarHBondContact SG-NE2 3.08Å; C656-H673 VanDerWaalsContact SG-CE1 3.54Å; C656-H673 PolarHBondContact SG-NE2 3.01Å
657	E	79.3	Confident	84.2	Confident	176 Å²	176	82.8 Å²	82.8	82%	0.822	42%	0.419	S	S	*	.			trans	58	6.1	173.4	-58.7	-179.5	171.1	0	0	116.4	C653 A659	C653-E657 WeakPolarHBondContact O-CA 3.4Å; C653-E657 PolarHBondContact O-N 3.1Å; E657-A659 PolarHBondContact O-N 3.18Å
658	K	83.9	Confident	84.4	Confident	127 Å²	127	83.4 Å²	83.4	55%	0.552	41%	0.411	S	S	*	.			trans	-71.5	115.1	-179.5	-76.7	167.9	-171.2	163.1	0	110.9	C653 C656 F660	C653-K658 WeakPolarHBondContact CB-O 3.34Å; C653-K658 PolarHBondContact N-O 3.06Å; C656-K658 PolarHBondContact O-N 2.86Å; K658-F660 HydrophobicContact CB-CE2 3.85Å; K658-F660 HydrophobicContact CB-CZ 4.11Å; K658-F660 VanDerWaalsContact O-CD2 3.3Å; K658-F660 WeakPolarHBondContact O-CD2 3.43Å; K658-F660 WeakPolarHBondContact O-CE2 3.46Å
659	A	86.1	Confident	84.7	Confident	33 Å²	33	80.1 Å²	80.1	27%	0.273	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	136.3	179.6	0	0	0	0	0	112	K649 E652 E657	K649-A659 HydrophobicContact CB-CB 3.53Å; K649-A659 HydrophobicContact CD-CB 3.87Å; K649-A659 WeakPolarHBondContact CD-O 3.45Å; K649-A659 HydrophobicContact CG-CB 4.28Å; E652-A659 HydrophobicContact CG-CB 3.67Å; E657-A659 PolarHBondContact O-N 3.18Å
660	F	84.4	Confident	84.7	Confident	51 Å²	51	76.7 Å²	76.7	22%	0.224	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.9	-177.9	-59.8	-96.5	0	0	0	112.2	K649 Y651 K658 K662 F666 H669	K649-F660 CarbonylContact C-O 3.53Å; K649-F660 VanDerWaalsContact CA-O 3.29Å; K649-F660 WeakPolarHBondContact CA-O 3.36Å; Y651-F660 WeakPolarHBondContact CD2-O 3.11Å; Y651-F660 PolarHBondContact N-O 3.43Å; Y651-F660 PolarHBondContact O-N 3.13Å; K658-F660 HydrophobicContact CB-CE2 3.85Å; K658-F660 HydrophobicContact CB-CZ 4.11Å; K658-F660 VanDerWaalsContact O-CD2 3.3Å; K658-F660 WeakPolarHBondContact O-CD2 3.43Å; K658-F660 WeakPolarHBondContact O-CE2 3.46Å; F660-K662 VanDerWaalsContact C-N 3.29Å; F660-K662 PolarHBondContact O-N 3.17Å; F660-F666 HydrophobicContact CB-CB 4.15Å; F660-F666 HydrophobicContact CD2-CB 4.06Å; F660-F666 HydrophobicContact CD2-CD2 4.19Å; F660-F666 HydrophobicContact CG-CB 4.21Å; F660-H669 HydrophobicContact CE1-CB 4.25Å; F660-H669 HydrophobicContact CE2-CB 4.06Å; F660-H669 AromaticContact CE2-CD2 3.21Å; F660-H669 WeakPolarHBondContact CE2-CD2 3.3Å; F660-H669 AromaticContact CE2-CG 3.76Å; F660-H669 AromaticContact CE2-NE2 3.95Å; F660-H669 HydrophobicContact CZ-CB 3.63Å; F660-H669 AromaticContact CZ-CD2 3.41Å; F660-H669 VanDerWaalsContact CZ-CD2 3.41Å; F660-H669 WeakPolarHBondContact CZ-CD2 3.39Å; F660-H669 AromaticContact CZ-CG 3.46Å; F660-H669 VanDerWaalsContact CZ-CG 3.46Å
661	C	81.9	Confident	84.7	Confident	36 Å²	36	76 Å²	76	24%	0.243	37%	0.371	C	S	.	.	S	Bend	trans	-78.5	-9.7	174.1	60.1	0	0	0	0	114.1	R643 E648	R643-C661 PolarHBondContact NH1-O 2.89Å; E648-C661 WeakPolarHBondContact O-CB 3.47Å
662	K	83.3	Confident	84.6	Confident	83 Å²	83	79.5 Å²	79.5	36%	0.361	39%	0.387	S	S	.	.	S	Bend	trans	-135	126.2	-174.6	-61.7	174.5	-167.5	174.2	0	111.9	M640 Y651 F660 S664 S665 F666	M640-K662 HydrophobicContact CG-CD 4.44Å; M640-K662 HydrophobicContact CG-CG 4.12Å; M640-K662 HydrophobicContact SD-CD 3.81Å; M640-K662 VanDerWaalsContact SD-CE 3.55Å; M640-K662 HydrophobicContact SD-CG 3.85Å; Y651-K662 VanDerWaalsContact CD2-C 3.49Å; F660-K662 VanDerWaalsContact C-N 3.29Å; F660-K662 PolarHBondContact O-N 3.17Å; K662-S664 VanDerWaalsContact C-N 3.31Å; K662-S664 PolarHBondContact O-N 3.32Å; K662-S665 WeakPolarHBondContact O-CB 3.49Å; K662-S665 PolarHBondContact O-N 3.21Å; K662-S665 VanDerWaalsContact O-N 3.09Å; K662-F666 PolarHBondContact O-N 2.81Å; K662-F666 VanDerWaalsContact O-N 3.12Å
663	F	84.5	Confident	84.4	Confident	99 Å²	99	76.8 Å²	76.8	43%	0.434	37%	0.374	S	S	.	.	H	α-helix	trans	-58	-37	180	-176.5	-112.3	0	0	0	113.8	Y651 S665 F666 Q667	Y651-F663 HydrophobicContact CD1-CB 4.13Å; Y651-F663 AromaticContact CD1-CD2 3.78Å; Y651-F663 HydrophobicContact CD1-CD2 3.78Å; Y651-F663 HydrophobicContact CD1-CG 4.44Å; Y651-F663 HydrophobicContact CD2-CB 4.31Å; Y651-F663 VanDerWaalsContact CD2-N 3.33Å; Y651-F663 HydrophobicContact CE1-CB 3.85Å; Y651-F663 AromaticContact CE1-CD2 3.94Å; Y651-F663 HydrophobicContact CE1-CD2 3.94Å; Y651-F663 HydrophobicContact CE1-CG 4.29Å; Y651-F663 HydrophobicContact CE2-CB 4.05Å; Y651-F663 VanDerWaalsContact CE2-N 3.31Å; Y651-F663 HydrophobicContact CG-CB 4.36Å; Y651-F663 HydrophobicContact CG-CD2 4.45Å; F663-S665 VanDerWaalsContact C-N 3.35Å; F663-S665 PolarHBondContact O-N 3.12Å; F663-F666 AromaticContact CD2-CD1 3.96Å; F663-F666 HydrophobicContact CD2-CD1 3.96Å; F663-F666 AromaticContact CE2-CD1 3.97Å; F663-F666 HydrophobicContact CE2-CD1 3.97Å; F663-F666 HydrophobicContact CE2-CE1 4.21Å; F663-F666 WeakPolarHBondContact O-CB 3.46Å; F663-F666 PolarHBondContact O-N 3.28Å; F663-Q667 HydrophobicContact CD1-CG 4.18Å; F663-Q667 HydrophobicContact CD2-CG 4.46Å; F663-Q667 HydrophobicContact CE1-CG 3.72Å; F663-Q667 VanDerWaalsContact CE1-OE1 3.24Å; F663-Q667 HydrophobicContact CE2-CG 4.03Å; F663-Q667 VanDerWaalsContact CZ-CD 3.47Å; F663-Q667 HydrophobicContact CZ-CG 3.64Å; F663-Q667 WeakPolarHBondContact O-CG 3.39Å; F663-Q667 PolarHBondContact O-N 2.94Å
664	S	84.3	Confident	84.2	Confident	72 Å²	72	83.3 Å²	83.3	50%	0.503	40%	0.398	S	S	.	.	H	α-helix	trans	-68.8	-31	177.8	51.9	0	0	0	0	113.4	K662 I668	K662-S664 VanDerWaalsContact C-N 3.31Å; K662-S664 PolarHBondContact O-N 3.32Å; S664-I668 WeakPolarHBondContact O-CD1 3.49Å; S664-I668 VanDerWaalsContact O-CG1 3.23Å; S664-I668 WeakPolarHBondContact O-CG1 3.33Å; S664-I668 PolarHBondContact O-N 3.38Å
665	S	85.4	Confident	83.9	Confident	53 Å²	53	75.8 Å²	75.8	37%	0.371	38%	0.379	S	S	.	.	H	α-helix	trans	-70.4	-41.4	171.9	-61.6	0	0	0	0	111.1	K662 F663 I668 H669	K662-S665 WeakPolarHBondContact O-CB 3.49Å; K662-S665 PolarHBondContact O-N 3.21Å; K662-S665 VanDerWaalsContact O-N 3.09Å; F663-S665 VanDerWaalsContact C-N 3.35Å; F663-S665 PolarHBondContact O-N 3.12Å; S665-I668 PolarHBondContact O-N 3.12Å; S665-H669 WeakPolarHBondContact O-CB 3.46Å; S665-H669 PolarHBondContact O-N 3.29Å; S665-H669 VanDerWaalsContact O-N 3.1Å
666	F	87.8	Confident	83.9	Confident	33 Å²	33	74.6 Å²	74.6	15%	0.145	37%	0.374	C	S	.	.	H	α-helix	trans	-58.6	-51	172.6	166.7	-94.3	0	0	0	112.1	E652 C653 F660 K662 F663 I668 H669 E670	E652-F666 WeakPolarHBondContact O-CE2 3.5Å; C653-F666 HydrophobicContact CB-CE2 4.31Å; F660-F666 HydrophobicContact CB-CB 4.15Å; F660-F666 HydrophobicContact CD2-CB 4.06Å; F660-F666 HydrophobicContact CD2-CD2 4.19Å; F660-F666 HydrophobicContact CG-CB 4.21Å; K662-F666 PolarHBondContact O-N 2.81Å; K662-F666 VanDerWaalsContact O-N 3.12Å; F663-F666 AromaticContact CD2-CD1 3.96Å; F663-F666 HydrophobicContact CD2-CD1 3.96Å; F663-F666 AromaticContact CE2-CD1 3.97Å; F663-F666 HydrophobicContact CE2-CD1 3.97Å; F663-F666 HydrophobicContact CE2-CE1 4.21Å; F663-F666 WeakPolarHBondContact O-CB 3.46Å; F663-F666 PolarHBondContact O-N 3.28Å; F666-I668 PolarHBondContact O-N 3.09Å; F666-H669 CarbonylContact O-C 3.57Å; F666-H669 WeakPolarHBondContact O-CA 3.05Å; F666-H669 WeakPolarHBondContact O-CB 3.38Å; F666-H669 PolarHBondContact O-N 3.21Å; F666-E670 PolarHBondContact O-N 3.27Å
667	Q	84.4	Confident	83.8	Confident	77 Å²	77	79 Å²	79	36%	0.36	39%	0.388	S	S	.	.	H	α-helix	trans	-62.5	-38.7	178.9	-71.6	-165	-64.1	0	0	113.5	F663 H669 E670 R671	F663-Q667 HydrophobicContact CD1-CG 4.18Å; F663-Q667 HydrophobicContact CD2-CG 4.46Å; F663-Q667 HydrophobicContact CE1-CG 3.72Å; F663-Q667 VanDerWaalsContact CE1-OE1 3.24Å; F663-Q667 HydrophobicContact CE2-CG 4.03Å; F663-Q667 VanDerWaalsContact CZ-CD 3.47Å; F663-Q667 HydrophobicContact CZ-CG 3.64Å; F663-Q667 WeakPolarHBondContact O-CG 3.39Å; F663-Q667 PolarHBondContact O-N 2.94Å; Q667-H669 PolarHBondContact O-N 3.32Å; Q667-E670 PolarHBondContact O-N 3.03Å; Q667-R671 WeakPolarHBondContact O-CG 3.5Å; Q667-R671 PolarHBondContact O-N 3.36Å
668	I	85.1	Confident	84.1	Confident	59 Å²	59	74.1 Å²	74.1	30%	0.303	37%	0.372	S	S	.	.	H	α-helix	trans	-67.8	-24.7	176.3	-68.2	167.4	0	0	0	111.3	S664 S665 F666	S664-I668 WeakPolarHBondContact O-CD1 3.49Å; S664-I668 VanDerWaalsContact O-CG1 3.23Å; S664-I668 WeakPolarHBondContact O-CG1 3.33Å; S664-I668 PolarHBondContact O-N 3.38Å; S665-I668 PolarHBondContact O-N 3.12Å; F666-I668 PolarHBondContact O-N 3.09Å
669	H	86.4	Confident	84.1	Confident	25 Å²	25	72.1 Å²	72.1	12%	0.116	36%	0.361	C	S	.	.	H	α-helix	trans	-80.5	-46	173.2	167.2	56.4	0	0	0	112.6	C656 F660 S665 F666 Q667 R671 K672 H673	C656-H669 PolarHBondContact SG-CE1 3.29Å; C656-H669 PolarHBondContact SG-NE2 3.08Å; F660-H669 HydrophobicContact CE1-CB 4.25Å; F660-H669 HydrophobicContact CE2-CB 4.06Å; F660-H669 AromaticContact CE2-CD2 3.21Å; F660-H669 WeakPolarHBondContact CE2-CD2 3.3Å; F660-H669 AromaticContact CE2-CG 3.76Å; F660-H669 AromaticContact CE2-NE2 3.95Å; F660-H669 HydrophobicContact CZ-CB 3.63Å; F660-H669 AromaticContact CZ-CD2 3.41Å; F660-H669 VanDerWaalsContact CZ-CD2 3.41Å; F660-H669 WeakPolarHBondContact CZ-CD2 3.39Å; F660-H669 AromaticContact CZ-CG 3.46Å; F660-H669 VanDerWaalsContact CZ-CG 3.46Å; S665-H669 WeakPolarHBondContact O-CB 3.46Å; S665-H669 PolarHBondContact O-N 3.29Å; S665-H669 VanDerWaalsContact O-N 3.1Å; F666-H669 CarbonylContact O-C 3.57Å; F666-H669 WeakPolarHBondContact O-CA 3.05Å; F666-H669 WeakPolarHBondContact O-CB 3.38Å; F666-H669 PolarHBondContact O-N 3.21Å; Q667-H669 PolarHBondContact O-N 3.32Å; H669-R671 PolarHBondContact O-N 3.47Å; H669-K672 VanDerWaalsContact O-CB 3.23Å; H669-K672 WeakPolarHBondContact O-CB 3.45Å; H669-K672 PolarHBondContact O-N 3.35Å; H669-H673 AromaticContact CE1-CE1 3.91Å; H669-H673 AromaticContact CE1-NE2 3.35Å; H669-H673 PolarHBondContact CE1-NE2 3.03Å; H669-H673 VanDerWaalsContact CE1-NE2 3.35Å; H669-H673 AromaticContact NE2-NE2 3.44Å; H669-H673 PolarHBondContact NE2-NE2 3.25Å
670	E	84.3	Confident	84.1	Confident	45 Å²	45	76.7 Å²	76.7	21%	0.21	38%	0.377	C	S	.	.	H	α-helix	trans	-54.2	-41.1	176.3	-170.5	-170.5	168.9	0	0	111.6	F666 Q667 K672 H673 R674	F666-E670 PolarHBondContact O-N 3.27Å; Q667-E670 PolarHBondContact O-N 3.03Å; E670-K672 PolarHBondContact O-N 3.39Å; E670-K672 VanDerWaalsContact O-N 3.08Å; E670-H673 PolarHBondContact O-N 3.12Å; E670-R674 PolarHBondContact O-N 3.19Å; E670-R674 VanDerWaalsContact O-N 3.16Å; E670-R674 IonicContact OE1-CZ 3.85Å; E670-R674 VanDerWaalsContact OE1-CZ 3.24Å; E670-R674 IonicContact OE1-NE 3.17Å; E670-R674 PolarHBondContact OE1-NE 3.07Å; E670-R674 IonicContact OE1-NH2 3.53Å; E670-R674 PolarHBondContact OE1-NH2 2.88Å
671	R	86.9	Confident	84.2	Confident	50 Å²	50	74.5 Å²	74.5	19%	0.189	37%	0.368	C	S	.	.	H	α-helix	trans	-55.8	-24	172.8	-75.4	-176.6	-178.3	149.1	6.7	115	Q667 H669 G675 E676 T689	Q667-R671 WeakPolarHBondContact O-CG 3.5Å; Q667-R671 PolarHBondContact O-N 3.36Å; H669-R671 PolarHBondContact O-N 3.47Å; R671-G675 CarbonylContact O-C 3.17Å; R671-G675 PolarHBondContact O-N 2.99Å; R671-G675 VanDerWaalsContact O-N 3.15Å; R671-E676 HydrophobicContact CB-CB 3.97Å; R671-E676 HydrophobicContact CG-CB 3.8Å; R671-E676 IonicContact NE-OE2 3.58Å; R671-E676 PolarHBondContact O-N 3.32Å; R671-T689 HydrophobicContact CB-CG2 4.26Å; R671-T689 PolarHBondContact NH1-O 2.79Å
672	K	82.6	Confident	84.2	Confident	147 Å²	147	82.7 Å²	82.7	64%	0.639	40%	0.399	S	S	*	.	H	α-helix	trans	-70.3	-37.4	175.6	-64	-169.2	170.7	-164.7	0	111.8	H669 E670 T689	H669-K672 VanDerWaalsContact O-CB 3.23Å; H669-K672 WeakPolarHBondContact O-CB 3.45Å; H669-K672 PolarHBondContact O-N 3.35Å; E670-K672 PolarHBondContact O-N 3.39Å; E670-K672 VanDerWaalsContact O-N 3.08Å; K672-T689 HydrophobicContact CG-CG2 4.37Å
673	H	83	Confident	83.9	Confident	81 Å²	81	85.9 Å²	85.9	38%	0.375	42%	0.415	S	S	.	.	H	α-helix	trans	-73.1	-43.2	177.2	-57.7	-54	0	0	0	110.8	C653 E655 C656 H669 E670 G675	C653-H673 VanDerWaalsContact SG-CD2 3.57Å; C653-H673 PolarHBondContact SG-NE2 2.74Å; E655-H673 VanDerWaalsContact OE2-CB 3.32Å; E655-H673 WeakPolarHBondContact OE2-CB 3.34Å; E655-H673 IonicContact OE2-CD2 3.23Å; E655-H673 PolarHBondContact OE2-CD2 3.41Å; E655-H673 IonicContact OE2-CG 3.43Å; C656-H673 VanDerWaalsContact SG-CE1 3.54Å; C656-H673 PolarHBondContact SG-NE2 3.01Å; H669-H673 AromaticContact CE1-CE1 3.91Å; H669-H673 AromaticContact CE1-NE2 3.35Å; H669-H673 PolarHBondContact CE1-NE2 3.03Å; H669-H673 VanDerWaalsContact CE1-NE2 3.35Å; H669-H673 AromaticContact NE2-NE2 3.44Å; H669-H673 PolarHBondContact NE2-NE2 3.25Å; E670-H673 PolarHBondContact O-N 3.12Å; H673-G675 PolarHBondContact O-N 3.4Å
674	R	82.3	Confident	83.9	Confident	141 Å²	141	83.8 Å²	83.8	53%	0.532	41%	0.412	S	S	.	.	S	Bend	trans	-70.9	-5.3	175.6	-59.2	-174.2	-179	-71.6	-6.5	114.7	E670 E676	E670-R674 PolarHBondContact O-N 3.19Å; E670-R674 VanDerWaalsContact O-N 3.16Å; E670-R674 IonicContact OE1-CZ 3.85Å; E670-R674 VanDerWaalsContact OE1-CZ 3.24Å; E670-R674 IonicContact OE1-NE 3.17Å; E670-R674 PolarHBondContact OE1-NE 3.07Å; E670-R674 IonicContact OE1-NH2 3.53Å; E670-R674 PolarHBondContact OE1-NH2 2.88Å; R674-E676 HydrophobicContact CB-CB 4.45Å; R674-E676 HydrophobicContact CB-CG 3.98Å; R674-E676 WeakPolarHBondContact CD-OE1 3.47Å; R674-E676 PolarHBondContact O-N 3.23Å
675	G	78.5	Confident	83.6	Confident	49 Å²	49	82.5 Å²	82.5	51%	0.505	41%	0.41	S	S	.	.			trans	65.9	-0.8	-172	0	0	0	0	0	115.6	R671 H673 K677	R671-G675 CarbonylContact O-C 3.17Å; R671-G675 PolarHBondContact O-N 2.99Å; R671-G675 VanDerWaalsContact O-N 3.15Å; H673-G675 PolarHBondContact O-N 3.4Å; G675-K677 PolarHBondContact O-N 2.85Å
676	E	81.8	Confident	83.5	Confident	85 Å²	85	84 Å²	84	40%	0.397	41%	0.414	S	S	.	.			trans	-58.3	118.4	-174.1	-82	-179.8	-141.2	0	0	113	R671 R674 P678	R671-E676 HydrophobicContact CB-CB 3.97Å; R671-E676 HydrophobicContact CG-CB 3.8Å; R671-E676 IonicContact NE-OE2 3.58Å; R671-E676 PolarHBondContact O-N 3.32Å; R674-E676 HydrophobicContact CB-CB 4.45Å; R674-E676 HydrophobicContact CB-CG 3.98Å; R674-E676 WeakPolarHBondContact CD-OE1 3.47Å; R674-E676 PolarHBondContact O-N 3.23Å; E676-P678 WeakPolarHBondContact O-CD 3.4Å
677	K	84.3	Confident	83.4	Confident	137 Å²	137	83.3 Å²	83.3	60%	0.596	42%	0.417	S	S	*	.			trans	-122.2	66.9	177.3	-74.6	167.3	167.6	-177.6	0	112.4	G675 Y679 G687 F688	G675-K677 PolarHBondContact O-N 2.85Å; K677-Y679 PolarHBondContact O-N 3.13Å; K677-G687 VanDerWaalsContact CD-O 3.23Å; K677-G687 WeakPolarHBondContact CD-O 3.5Å; K677-G687 WeakPolarHBondContact CE-O 3.49Å; K677-G687 WeakPolarHBondContact CG-O 3.09Å; K677-F688 CarbonylContact C-O 3.47Å; K677-F688 WeakPolarHBondContact CA-O 3.32Å
678	P	84.9	Confident	83.4	Confident	74 Å²	74	81.5 Å²	81.5	48%	0.481	41%	0.407	S	S	.	.			trans	-72.5	5	-170.4	-16.3	32.7	0	0	0	115.7	E676	E676-P678 WeakPolarHBondContact O-CD 3.4Å
679	Y	84.1	Confident	83.4	Confident	84 Å²	84	79.5 Å²	79.5	33%	0.329	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	90.6	-175.8	-57.4	-79.5	0	0	0	109.6	K677 F688 S690 A691	K677-Y679 PolarHBondContact O-N 3.13Å; Y679-F688 PolarHBondContact N-O 3.32Å; Y679-F688 PolarHBondContact O-N 3.1Å; Y679-S690 VanDerWaalsContact CD2-C 3.48Å; Y679-A691 HydrophobicContact CD1-CB 3.77Å; Y679-A691 HydrophobicContact CE1-CB 3.75Å; Y679-A691 HydrophobicContact CG-CB 4.31Å
680	E	84.7	Confident	83.3	Confident	129 Å²	129	79 Å²	79	60%	0.603	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	144.2	-178.5	-158.2	-171.1	132.6	0	0	112.4	G685 L694	E680-G685 WeakPolarHBondContact CG-O 3.39Å; E680-L694 WeakPolarHBondContact O-CD2 3.04Å
681	C	87.4	Confident	83.3	Confident	5 Å²	5	79.2 Å²	79.2	3%	0.034	41%	0.407	C	S	.	.			trans	-89.4	109.7	174	-167.1	0	0	0	0	111.7	H683 C684 G685 N686 F688 L694 H701	C681-H683 PolarHBondContact O-N 2.97Å; C681-C684 PolarHBondContact O-N 3.27Å; C681-G685 PolarHBondContact O-N 2.74Å; C681-N686 PolarHBondContact N-O 3.18Å; C681-F688 HydrophobicContact CB-CE2 4.26Å; C681-L694 HydrophobicContact CB-CD1 3.51Å; C681-H701 PolarHBondContact SG-NE2 3.1Å; C681-H701 VanDerWaalsContact SG-NE2 3.4Å
682	K	82.1	Confident	83.2	Confident	208 Å²	208	84 Å²	84	90%	0.904	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-15.6	179.5	-64.9	-168.2	173.9	-166.5	0	115.9
683	H	77.6	Confident	83.1	Confident	151 Å²	151	80.5 Å²	80.5	70%	0.699	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-14.8	179	-63.7	-80.8	0	0	0	113.9	C681	C681-H683 PolarHBondContact O-N 2.97Å
684	C	83.8	Confident	83.2	Confident	54 Å²	54	78.3 Å²	78.3	37%	0.365	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157.3	11	-171.1	65.9	0	0	0	0	115.6	C681 N686 H697 H701	C681-C684 PolarHBondContact O-N 3.27Å; C684-N686 PolarHBondContact O-N 3Å; C684-N686 PolarHBondContact SG-ND2 3.12Å; C684-H697 PolarHBondContact SG-NE2 3.03Å; C684-H701 VanDerWaalsContact SG-CE1 3.58Å; C684-H701 PolarHBondContact SG-NE2 3.27Å; C684-H701 VanDerWaalsContact SG-NE2 3.38Å
685	G	78.8	Confident	83.2	Confident	45 Å²	45	77.5 Å²	77.5	46%	0.464	41%	0.41	S	S	.	.			trans	67.2	-3.1	179.1	0	0	0	0	0	116.1	E680 C681 G687	E680-G685 WeakPolarHBondContact CG-O 3.39Å; C681-G685 PolarHBondContact O-N 2.74Å; G685-G687 PolarHBondContact O-N 3.41Å; G685-G687 VanDerWaalsContact O-N 3.16Å
686	N	83.4	Confident	83.1	Confident	85 Å²	85	76.7 Å²	76.7	46%	0.455	39%	0.394	S	S	.	.			trans	-68.1	117.1	-174.8	-83	-68	0	0	0	111.8	C681 C684 F688	C681-N686 PolarHBondContact N-O 3.18Å; C684-N686 PolarHBondContact O-N 3Å; C684-N686 PolarHBondContact SG-ND2 3.12Å; N686-F688 HydrophobicContact CB-CE2 3.7Å; N686-F688 HydrophobicContact CB-CZ 3.78Å; N686-F688 VanDerWaalsContact O-CD2 3.23Å; N686-F688 WeakPolarHBondContact O-CD2 3.41Å; N686-F688 WeakPolarHBondContact O-CE2 3.32Å
687	G	84.1	Confident	83.1	Confident	19 Å²	19	74.1 Å²	74.1	20%	0.196	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.2	177	0	0	0	0	0	113.9	K677 G685	K677-G687 VanDerWaalsContact CD-O 3.23Å; K677-G687 WeakPolarHBondContact CD-O 3.5Å; K677-G687 WeakPolarHBondContact CE-O 3.49Å; K677-G687 WeakPolarHBondContact CG-O 3.09Å; G685-G687 PolarHBondContact O-N 3.41Å; G685-G687 VanDerWaalsContact O-N 3.16Å
688	F	85.1	Confident	82.9	Confident	38 Å²	38	69.2 Å²	69.2	17%	0.167	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.5	-178.8	-58.9	-82.5	0	0	0	112.9	K677 Y679 C681 N686 S690 I693 L694 H697	K677-F688 CarbonylContact C-O 3.47Å; K677-F688 WeakPolarHBondContact CA-O 3.32Å; Y679-F688 PolarHBondContact N-O 3.32Å; Y679-F688 PolarHBondContact O-N 3.1Å; C681-F688 HydrophobicContact CB-CE2 4.26Å; N686-F688 HydrophobicContact CB-CE2 3.7Å; N686-F688 HydrophobicContact CB-CZ 3.78Å; N686-F688 VanDerWaalsContact O-CD2 3.23Å; N686-F688 WeakPolarHBondContact O-CD2 3.41Å; N686-F688 WeakPolarHBondContact O-CE2 3.32Å; F688-S690 VanDerWaalsContact C-N 3.31Å; F688-S690 PolarHBondContact O-N 2.7Å; F688-I693 HydrophobicContact CB-CB 4.41Å; F688-I693 HydrophobicContact CB-CG2 4.42Å; F688-I693 HydrophobicContact CD1-CB 4.32Å; F688-I693 HydrophobicContact CD1-CG2 3.47Å; F688-I693 VanDerWaalsContact CD1-CG2 3.47Å; F688-I693 HydrophobicContact CE1-CG2 4.05Å; F688-I693 HydrophobicContact CG-CG2 4.16Å; F688-L694 HydrophobicContact CB-CB 4.35Å; F688-L694 HydrophobicContact CD2-CB 3.94Å; F688-L694 HydrophobicContact CD2-CD1 3.85Å; F688-L694 HydrophobicContact CD2-CG 4.48Å; F688-L694 HydrophobicContact CE2-CD1 4.03Å; F688-L694 HydrophobicContact CG-CB 4.37Å; F688-H697 HydrophobicContact CE1-CB 4.23Å; F688-H697 HydrophobicContact CE2-CB 4.02Å; F688-H697 AromaticContact CE2-CD2 3.32Å; F688-H697 WeakPolarHBondContact CE2-CD2 3.39Å; F688-H697 AromaticContact CE2-CG 3.76Å; F688-H697 HydrophobicContact CZ-CB 3.66Å; F688-H697 AromaticContact CZ-CD2 3.35Å; F688-H697 WeakPolarHBondContact CZ-CD2 3.37Å; F688-H697 AromaticContact CZ-CG 3.36Å; F688-H697 AromaticContact CZ-ND1 3.99Å; F688-H697 AromaticContact CZ-NE2 3.95Å
689	T	84.9	Confident	82.6	Confident	18 Å²	18	68 Å²	68	11%	0.11	35%	0.352	C	S	.	.	S	Bend	trans	-76.8	-13.8	-179.3	65.7	0	0	0	0	114.1	R671 K672	R671-T689 HydrophobicContact CB-CG2 4.26Å; R671-T689 PolarHBondContact NH1-O 2.79Å; K672-T689 HydrophobicContact CG-CG2 4.37Å
690	S	85.2	Confident	82.1	Confident	13 Å²	13	67 Å²	67	9%	0.091	36%	0.355	C	S	.	.	S	Bend	trans	-150.7	145.4	176.8	74.8	0	0	0	0	113.8	Y679 F688 K692 I693 L694	Y679-S690 VanDerWaalsContact CD2-C 3.48Å; F688-S690 VanDerWaalsContact C-N 3.31Å; F688-S690 PolarHBondContact O-N 2.7Å; S690-K692 PolarHBondContact O-N 3.23Å; S690-K692 VanDerWaalsContact O-N 3.16Å; S690-I693 PolarHBondContact O-N 2.92Å; S690-I693 WeakPolarHBondContact OG-CG1 3.27Å; S690-L694 PolarHBondContact O-N 2.9Å
691	A	84.8	Confident	81.7	Confident	51 Å²	51	64.6 Å²	64.6	42%	0.421	34%	0.344	S	S	.	.	H	α-helix	trans	-56.8	-29.2	178.2	0	0	0	0	0	114.2	Y679 L694 Q695	Y679-A691 HydrophobicContact CD1-CB 3.77Å; Y679-A691 HydrophobicContact CE1-CB 3.75Å; Y679-A691 HydrophobicContact CG-CB 4.31Å; A691-L694 PolarHBondContact O-N 3.37Å; A691-Q695 WeakPolarHBondContact O-CB 3.5Å; A691-Q695 PolarHBondContact O-N 3.12Å
692	K	83.1	Confident	81	Confident	150 Å²	150	70 Å²	70	65%	0.652	37%	0.371	S	S	*	.	H	α-helix	trans	-66.9	-38.7	176.5	-175.9	-179.1	176	-173.5	0	111.7	S690 Q695 I696	S690-K692 PolarHBondContact O-N 3.23Å; S690-K692 VanDerWaalsContact O-N 3.16Å; K692-Q695 PolarHBondContact O-N 3.2Å; K692-I696 HydrophobicContact CG-CD1 4.13Å; K692-I696 WeakPolarHBondContact O-CD1 3.45Å; K692-I696 VanDerWaalsContact O-CG1 3.31Å; K692-I696 WeakPolarHBondContact O-CG1 3.43Å; K692-I696 PolarHBondContact O-N 3.32Å; K692-I696 VanDerWaalsContact O-N 3.12Å
693	I	82.1	Confident	80.2	Confident	73 Å²	73	62.3 Å²	62.3	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-70.3	-44.1	178.2	-59	168.9	0	0	0	109.1	F688 S690 Q695 I696 H697	F688-I693 HydrophobicContact CB-CB 4.41Å; F688-I693 HydrophobicContact CB-CG2 4.42Å; F688-I693 HydrophobicContact CD1-CB 4.32Å; F688-I693 HydrophobicContact CD1-CG2 3.47Å; F688-I693 VanDerWaalsContact CD1-CG2 3.47Å; F688-I693 HydrophobicContact CE1-CG2 4.05Å; F688-I693 HydrophobicContact CG-CG2 4.16Å; S690-I693 PolarHBondContact O-N 2.92Å; S690-I693 WeakPolarHBondContact OG-CG1 3.27Å; I693-Q695 VanDerWaalsContact C-N 3.33Å; I693-Q695 PolarHBondContact O-N 2.98Å; I693-I696 PolarHBondContact O-N 3.45Å; I693-H697 WeakPolarHBondContact O-CB 3.42Å; I693-H697 PolarHBondContact O-N 2.91Å
694	L	84.7	Confident	79.7	Confident	35 Å²	35	59.4 Å²	59.4	18%	0.183	34%	0.338	C	S	.	.	H	α-helix	trans	-56.4	-43.6	171.8	173.3	60.7	0	0	0	112.1	E680 C681 F688 S690 A691 I696 H697 A698	E680-L694 WeakPolarHBondContact O-CD2 3.04Å; C681-L694 HydrophobicContact CB-CD1 3.51Å; F688-L694 HydrophobicContact CB-CB 4.35Å; F688-L694 HydrophobicContact CD2-CB 3.94Å; F688-L694 HydrophobicContact CD2-CD1 3.85Å; F688-L694 HydrophobicContact CD2-CG 4.48Å; F688-L694 HydrophobicContact CE2-CD1 4.03Å; F688-L694 HydrophobicContact CG-CB 4.37Å; S690-L694 PolarHBondContact O-N 2.9Å; A691-L694 PolarHBondContact O-N 3.37Å; L694-I696 VanDerWaalsContact C-N 3.33Å; L694-I696 PolarHBondContact O-N 3.44Å; L694-H697 PolarHBondContact O-N 2.81Å; L694-A698 WeakPolarHBondContact O-CB 3.46Å; L694-A698 PolarHBondContact O-N 2.95Å
695	Q	81.2	Confident	79	Confident	124 Å²	124	62.9 Å²	62.9	58%	0.579	35%	0.347	S	S	*	.	H	α-helix	trans	-64	-36.4	178.8	-171.6	-176.2	19.5	0	0	112.6	A691 K692 I693	A691-Q695 WeakPolarHBondContact O-CB 3.5Å; A691-Q695 PolarHBondContact O-N 3.12Å; K692-Q695 PolarHBondContact O-N 3.2Å; I693-Q695 VanDerWaalsContact C-N 3.33Å; I693-Q695 PolarHBondContact O-N 2.98Å
696	I	77.1	Confident	78.5	Confident	33 Å²	33	65.6 Å²	65.6	17%	0.169	35%	0.347	C	S	.	.	H	α-helix	trans	-74.1	-38.2	176.5	-61.9	161.4	0	0	0	110.5	K692 I693 L694 R699 Y718	K692-I696 HydrophobicContact CG-CD1 4.13Å; K692-I696 WeakPolarHBondContact O-CD1 3.45Å; K692-I696 VanDerWaalsContact O-CG1 3.31Å; K692-I696 WeakPolarHBondContact O-CG1 3.43Å; K692-I696 PolarHBondContact O-N 3.32Å; K692-I696 VanDerWaalsContact O-N 3.12Å; I693-I696 PolarHBondContact O-N 3.45Å; L694-I696 VanDerWaalsContact C-N 3.33Å; L694-I696 PolarHBondContact O-N 3.44Å; I696-R699 WeakPolarHBondContact O-CB 3.5Å; I696-R699 PolarHBondContact O-N 3.44Å; I696-Y718 HydrophobicContact CG2-CD1 3.99Å; I696-Y718 HydrophobicContact CG2-CE1 3.41Å; I696-Y718 VanDerWaalsContact CG2-CE1 3.41Å; I696-Y718 HydrophobicContact CG2-CE2 4.39Å
697	H	81.4	Confident	78	Confident	31 Å²	31	65.5 Å²	65.5	14%	0.144	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-39	172.6	174.3	61.5	0	0	0	112.4	C684 F688 I693 L694 R699 T700 H701	C684-H697 PolarHBondContact SG-NE2 3.03Å; F688-H697 HydrophobicContact CE1-CB 4.23Å; F688-H697 HydrophobicContact CE2-CB 4.02Å; F688-H697 AromaticContact CE2-CD2 3.32Å; F688-H697 WeakPolarHBondContact CE2-CD2 3.39Å; F688-H697 AromaticContact CE2-CG 3.76Å; F688-H697 HydrophobicContact CZ-CB 3.66Å; F688-H697 AromaticContact CZ-CD2 3.35Å; F688-H697 WeakPolarHBondContact CZ-CD2 3.37Å; F688-H697 AromaticContact CZ-CG 3.36Å; F688-H697 AromaticContact CZ-ND1 3.99Å; F688-H697 AromaticContact CZ-NE2 3.95Å; I693-H697 WeakPolarHBondContact O-CB 3.42Å; I693-H697 PolarHBondContact O-N 2.91Å; L694-H697 PolarHBondContact O-N 2.81Å; H697-R699 PolarHBondContact O-N 3.36Å; H697-R699 VanDerWaalsContact O-N 3.09Å; H697-T700 WeakPolarHBondContact O-CB 3.28Å; H697-T700 PolarHBondContact O-N 3.3Å; H697-T700 PolarHBondContact O-OG1 3.37Å; H697-H701 AromaticContact CD2-NE2 3.72Å; H697-H701 AromaticContact CE1-CE1 3.81Å; H697-H701 AromaticContact CE1-NE2 3.5Å; H697-H701 AromaticContact NE2-CE1 3.69Å; H697-H701 AromaticContact NE2-NE2 3.02Å; H697-H701 PolarHBondContact NE2-NE2 2.97Å
698	A	79.3	Confident	77.7	Confident	33 Å²	33	70.6 Å²	70.6	27%	0.273	36%	0.36	S	S	.	.	H	α-helix	trans	-55.5	-32.7	178.8	0	0	0	0	0	112.7	L694 T700 H701	L694-A698 WeakPolarHBondContact O-CB 3.46Å; L694-A698 PolarHBondContact O-N 2.95Å; A698-T700 PolarHBondContact O-N 3.2Å; A698-H701 PolarHBondContact O-N 3.09Å
699	R	78.8	Confident	77.5	Confident	48 Å²	48	69 Å²	69	18%	0.181	35%	0.353	C	S	.	.	H	α-helix	trans	-64.4	-23.2	175.2	-64.6	170.6	174	178.2	-9.5	113.9	I696 H697 H701 I702 G703 E704	I696-R699 WeakPolarHBondContact O-CB 3.5Å; I696-R699 PolarHBondContact O-N 3.44Å; H697-R699 PolarHBondContact O-N 3.36Å; H697-R699 VanDerWaalsContact O-N 3.09Å; R699-H701 VanDerWaalsContact C-N 3.25Å; R699-H701 PolarHBondContact O-N 2.85Å; R699-I702 PolarHBondContact O-N 3.18Å; R699-G703 PolarHBondContact O-N 3.42Å; R699-E704 PolarHBondContact O-N 3.43Å
700	T	74.4	Confident	77.1	Confident	64 Å²	64	78 Å²	78	39%	0.393	39%	0.391	S	S	.	.	H	α-helix	trans	-72	-22	176.6	70.3	0	0	0	0	112.4	H697 A698	H697-T700 WeakPolarHBondContact O-CB 3.28Å; H697-T700 PolarHBondContact O-N 3.3Å; H697-T700 PolarHBondContact O-OG1 3.37Å; A698-T700 PolarHBondContact O-N 3.2Å
701	H	76.2	Confident	76.7	Confident	78 Å²	78	83.8 Å²	83.8	36%	0.361	42%	0.417	S	S	.	.	H	α-helix	trans	-82.4	-24.7	174.4	-57.5	-53.4	0	0	0	113.1	C681 C684 H697 A698 R699	C681-H701 PolarHBondContact SG-NE2 3.1Å; C681-H701 VanDerWaalsContact SG-NE2 3.4Å; C684-H701 VanDerWaalsContact SG-CE1 3.58Å; C684-H701 PolarHBondContact SG-NE2 3.27Å; C684-H701 VanDerWaalsContact SG-NE2 3.38Å; H697-H701 AromaticContact CD2-NE2 3.72Å; H697-H701 AromaticContact CE1-CE1 3.81Å; H697-H701 AromaticContact CE1-NE2 3.5Å; H697-H701 AromaticContact NE2-CE1 3.69Å; H697-H701 AromaticContact NE2-NE2 3.02Å; H697-H701 PolarHBondContact NE2-NE2 2.97Å; A698-H701 PolarHBondContact O-N 3.09Å; R699-H701 VanDerWaalsContact C-N 3.25Å; R699-H701 PolarHBondContact O-N 2.85Å
702	I	71.9	Confident	76.4	Confident	118 Å²	118	83.7 Å²	83.7	61%	0.605	41%	0.412	S	S	*	.	H	α-helix	trans	-97.5	-17.6	-179.6	-44.4	172	0	0	0	111.2	R699 E704	R699-I702 PolarHBondContact O-N 3.18Å; I702-E704 VanDerWaalsContact C-N 3.32Å; I702-E704 HydrophobicContact CB-CG 3.98Å; I702-E704 HydrophobicContact CG2-CG 3.69Å; I702-E704 PolarHBondContact O-N 3.27Å
703	G	67.3	Low	76	Confident	48 Å²	48	78.6 Å²	78.6	50%	0.495	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	5.1	-178.3	0	0	0	0	0	115	R699 K705	R699-G703 PolarHBondContact O-N 3.42Å; G703-K705 PolarHBondContact O-N 2.99Å
704	E	65.4	Low	75.8	Confident	90 Å²	90	80.7 Å²	80.7	42%	0.421	41%	0.408	S	S	.	.			trans	-68.4	82.1	-172.1	-63.9	-177.5	136.4	0	0	114.2	R699 I702 H706	R699-E704 PolarHBondContact O-N 3.43Å; I702-E704 VanDerWaalsContact C-N 3.32Å; I702-E704 HydrophobicContact CB-CG 3.98Å; I702-E704 HydrophobicContact CG2-CG 3.69Å; I702-E704 PolarHBondContact O-N 3.27Å; E704-H706 PolarHBondContact O-N 2.83Å; E704-H706 PolarHBondContact O-ND1 3.32Å; E704-H706 IonicContact OE2-CE1 3.41Å; E704-H706 PolarHBondContact OE2-CE1 3.11Å
705	K	69.8	Low	75.4	Confident	127 Å²	127	80.4 Å²	80.4	55%	0.552	41%	0.411	S	S	*	.			trans	-74.5	85.1	173.3	-72.1	162.4	164.6	-175.6	0	111.5	G703 Y707 A715 F716 N717	G703-K705 PolarHBondContact O-N 2.99Å; K705-Y707 VanDerWaalsContact C-N 3.33Å; K705-Y707 PolarHBondContact O-N 3.35Å; K705-A715 HydrophobicContact CB-CB 3.52Å; K705-A715 HydrophobicContact CD-CB 4.22Å; K705-A715 VanDerWaalsContact CD-O 3.24Å; K705-A715 WeakPolarHBondContact CD-O 3.23Å; K705-A715 HydrophobicContact CG-CB 4.41Å; K705-A715 WeakPolarHBondContact CG-O 3.35Å; K705-F716 CarbonylContact C-O 3.23Å; K705-N717 WeakPolarHBondContact CG-OD1 3.47Å
706	H	69.1	Low	75.1	Confident	101 Å²	101	76.8 Å²	76.8	47%	0.468	39%	0.394	S	S	.	.			trans	-72.2	-14.6	-175.4	-74.5	64.8	0	0	0	115.8	E704 F716	E704-H706 PolarHBondContact O-N 2.83Å; E704-H706 PolarHBondContact O-ND1 3.32Å; E704-H706 IonicContact OE2-CE1 3.41Å; E704-H706 PolarHBondContact OE2-CE1 3.11Å; H706-F716 PolarHBondContact N-O 2.84Å
707	Y	72.8	Confident	74.8	Confident	83 Å²	83	77.1 Å²	77.1	33%	0.325	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	90	-171.3	-63.7	-73	0	0	0	110.9	K705 A715 F716 F719	K705-Y707 VanDerWaalsContact C-N 3.33Å; K705-Y707 PolarHBondContact O-N 3.35Å; Y707-A715 WeakPolarHBondContact O-CA 3.43Å; Y707-F716 WeakPolarHBondContact CB-O 3.3Å; Y707-F716 PolarHBondContact N-O 2.79Å; Y707-F716 WeakPolarHBondContact O-CD2 3.4Å; Y707-F716 PolarHBondContact O-N 2.81Å; Y707-F719 HydrophobicContact CD1-CB 4Å; Y707-F719 AromaticContact CD1-CD2 3.89Å; Y707-F719 HydrophobicContact CD1-CD2 3.89Å; Y707-F719 HydrophobicContact CD1-CG 4.46Å; Y707-F719 HydrophobicContact CD2-CB 4.5Å; Y707-F719 HydrophobicContact CE1-CB 3.8Å; Y707-F719 HydrophobicContact CE1-CD2 4Å; Y707-F719 HydrophobicContact CE1-CG 4.37Å; Y707-F719 HydrophobicContact CE2-CB 4.31Å; Y707-F719 HydrophobicContact CG-CB 4.34Å
708	E	76.8	Confident	74.3	Confident	126 Å²	126	80.7 Å²	80.7	59%	0.589	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	138.4	-179.2	-165.5	-179.3	165	0	0	112.8	A715	E708-A715 HydrophobicContact CB-CB 4.4Å; E708-A715 HydrophobicContact CG-CB 4.43Å
709	C	81.6	Confident	74	Confident	5 Å²	5	85.3 Å²	85.3	3%	0.034	42%	0.423	C	S	.	.			trans	-85.6	111.8	171.2	-167.3	0	0	0	0	110.4	E711 C712 G713 K714 L722 H729	C709-E711 PolarHBondContact O-N 3.33Å; C709-C712 PolarHBondContact O-N 2.83Å; C709-G713 WeakPolarHBondContact O-CA 3.34Å; C709-G713 PolarHBondContact O-N 2.82Å; C709-K714 WeakPolarHBondContact CB-O 3.49Å; C709-K714 PolarHBondContact N-O 2.83Å; C709-L722 HydrophobicContact CB-CD1 3.5Å; C709-H729 VanDerWaalsContact SG-CD2 3.59Å
710	K	76.7	Confident	74	Confident	208 Å²	208	86.3 Å²	86.3	90%	0.904	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.9	-177.1	-65.5	-171.3	174.1	-169.4	0	114.7
711	E	75.3	Confident	74.2	Confident	134 Å²	134	85.4 Å²	85.4	63%	0.626	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-15.3	-175.2	-65.9	168.6	163.4	0	0	112.8	C709 H729	C709-E711 PolarHBondContact O-N 3.33Å; E711-H729 VanDerWaalsContact OE2-CB 3.28Å; E711-H729 WeakPolarHBondContact OE2-CB 3.17Å; E711-H729 IonicContact OE2-CD2 3.05Å; E711-H729 PolarHBondContact OE2-CD2 2.94Å; E711-H729 IonicContact OE2-CG 3.02Å
712	C	80.4	Confident	74.4	Confident	49 Å²	49	82.8 Å²	82.8	33%	0.331	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.4	10.4	-179.5	72.2	0	0	0	0	116.3	C709 K714 H725 H729	C709-C712 PolarHBondContact O-N 2.83Å; C712-K714 PolarHBondContact O-N 3.11Å; C712-K714 VanDerWaalsContact SG-CG 3.6Å; C712-H725 PolarHBondContact SG-NE2 3.2Å; C712-H729 WeakPolarHBondContact CB-NE2 3.44Å; C712-H729 PolarHBondContact SG-NE2 2.88Å
713	G	74.4	Confident	74.7	Confident	42 Å²	42	81.5 Å²	81.5	43%	0.433	41%	0.413	S	S	.	.			trans	67.8	-0.7	179.1	0	0	0	0	0	115.7	C709 A715	C709-G713 WeakPolarHBondContact O-CA 3.34Å; C709-G713 PolarHBondContact O-N 2.82Å; G713-A715 PolarHBondContact O-N 3.11Å
714	K	77.2	Confident	75.1	Confident	117 Å²	117	83.2 Å²	83.2	51%	0.509	41%	0.41	S	S	.	.			trans	-68.8	120	-178.8	-71.2	177.9	-176.2	171.7	0	110.3	C709 C712 F716	C709-K714 WeakPolarHBondContact CB-O 3.49Å; C709-K714 PolarHBondContact N-O 2.83Å; C712-K714 PolarHBondContact O-N 3.11Å; C712-K714 VanDerWaalsContact SG-CG 3.6Å; K714-F716 HydrophobicContact CB-CE2 3.69Å; K714-F716 HydrophobicContact CB-CZ 4.01Å; K714-F716 VanDerWaalsContact O-CD2 3.29Å; K714-F716 WeakPolarHBondContact O-CD2 3.37Å; K714-F716 WeakPolarHBondContact O-CE2 3.42Å
715	A	75.6	Confident	75.8	Confident	30 Å²	30	79.9 Å²	79.9	25%	0.248	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.6	-177	0	0	0	0	0	113	K705 Y707 E708 G713	K705-A715 HydrophobicContact CB-CB 3.52Å; K705-A715 HydrophobicContact CD-CB 4.22Å; K705-A715 VanDerWaalsContact CD-O 3.24Å; K705-A715 WeakPolarHBondContact CD-O 3.23Å; K705-A715 HydrophobicContact CG-CB 4.41Å; K705-A715 WeakPolarHBondContact CG-O 3.35Å; Y707-A715 WeakPolarHBondContact O-CA 3.43Å; E708-A715 HydrophobicContact CB-CB 4.4Å; E708-A715 HydrophobicContact CG-CB 4.43Å; G713-A715 PolarHBondContact O-N 3.11Å
716	F	76.5	Confident	76.2	Confident	48 Å²	48	75.1 Å²	75.1	21%	0.211	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.7	-170	-62.8	-92.6	0	0	0	113.3	K705 H706 Y707 K714 L722 H725	K705-F716 CarbonylContact C-O 3.23Å; H706-F716 PolarHBondContact N-O 2.84Å; Y707-F716 WeakPolarHBondContact CB-O 3.3Å; Y707-F716 PolarHBondContact N-O 2.79Å; Y707-F716 WeakPolarHBondContact O-CD2 3.4Å; Y707-F716 PolarHBondContact O-N 2.81Å; K714-F716 HydrophobicContact CB-CE2 3.69Å; K714-F716 HydrophobicContact CB-CZ 4.01Å; K714-F716 VanDerWaalsContact O-CD2 3.29Å; K714-F716 WeakPolarHBondContact O-CD2 3.37Å; K714-F716 WeakPolarHBondContact O-CE2 3.42Å; F716-L722 HydrophobicContact CB-CB 4.35Å; F716-L722 HydrophobicContact CD2-CB 4.11Å; F716-L722 HydrophobicContact CD2-CD1 4.09Å; F716-L722 HydrophobicContact CE2-CD1 4.37Å; F716-L722 HydrophobicContact CG-CB 4.38Å; F716-H725 HydrophobicContact CE1-CB 4.17Å; F716-H725 HydrophobicContact CE2-CB 4.08Å; F716-H725 AromaticContact CE2-CD2 3.2Å; F716-H725 WeakPolarHBondContact CE2-CD2 3.49Å; F716-H725 AromaticContact CE2-CG 3.82Å; F716-H725 HydrophobicContact CZ-CB 3.63Å; F716-H725 AromaticContact CZ-CD2 3.27Å; F716-H725 WeakPolarHBondContact CZ-CD2 3.48Å; F716-H725 AromaticContact CZ-CG 3.44Å; F716-H725 VanDerWaalsContact CZ-CG 3.44Å
717	N	70.3	Confident	76.5	Confident	40 Å²	40	72.4 Å²	72.4	21%	0.214	37%	0.365	C	S	.	.	S	Bend	trans	-81	-19.2	177.7	-62.6	-14.2	0	0	0	113	K705	K705-N717 WeakPolarHBondContact CG-OD1 3.47Å
718	Y	69.6	Low	76.5	Confident	106 Å²	106	71.8 Å²	71.8	42%	0.416	37%	0.37	S	S	.	.			trans	-130.2	137.2	-177.9	-60.1	-96.5	0	0	0	111.2	I696 S720 S721 L722	I696-Y718 HydrophobicContact CG2-CD1 3.99Å; I696-Y718 HydrophobicContact CG2-CE1 3.41Å; I696-Y718 VanDerWaalsContact CG2-CE1 3.41Å; I696-Y718 HydrophobicContact CG2-CE2 4.39Å; Y718-S720 PolarHBondContact O-N 3.18Å; Y718-S721 PolarHBondContact O-N 3.25Å; Y718-S721 VanDerWaalsContact O-N 3.11Å; Y718-L722 PolarHBondContact O-N 2.67Å; Y718-L722 VanDerWaalsContact O-N 3.08Å
719	F	74.9	Confident	76.5	Confident	129 Å²	129	70.3 Å²	70.3	57%	0.566	36%	0.362	S	S	*	.	H	α-helix	trans	-60.1	-32.6	171.3	-176.4	-95.7	0	0	0	112.4	Y707 L722 H723	Y707-F719 HydrophobicContact CD1-CB 4Å; Y707-F719 AromaticContact CD1-CD2 3.89Å; Y707-F719 HydrophobicContact CD1-CD2 3.89Å; Y707-F719 HydrophobicContact CD1-CG 4.46Å; Y707-F719 HydrophobicContact CD2-CB 4.5Å; Y707-F719 HydrophobicContact CE1-CB 3.8Å; Y707-F719 HydrophobicContact CE1-CD2 4Å; Y707-F719 HydrophobicContact CE1-CG 4.37Å; Y707-F719 HydrophobicContact CE2-CB 4.31Å; Y707-F719 HydrophobicContact CG-CB 4.34Å; F719-L722 PolarHBondContact O-N 3Å; F719-H723 HydrophobicContact CE1-CB 4.42Å; F719-H723 WeakPolarHBondContact O-CB 3.49Å; F719-H723 PolarHBondContact O-N 3.2Å
720	S	77.2	Confident	75.8	Confident	70 Å²	70	76.1 Å²	76.1	49%	0.49	39%	0.391	S	S	.	.	H	α-helix	trans	-65.2	-38.3	174.5	49.1	0	0	0	0	112.5	Y718 H723 I724	Y718-S720 PolarHBondContact O-N 3.18Å; S720-H723 PolarHBondContact O-N 2.71Å; S720-I724 WeakPolarHBondContact O-CD1 3.39Å; S720-I724 VanDerWaalsContact O-CG1 3.27Å; S720-I724 WeakPolarHBondContact O-CG1 3.39Å; S720-I724 PolarHBondContact O-N 3.4Å
721	S	79.3	Confident	75.1	Confident	45 Å²	45	68.8 Å²	68.8	32%	0.315	37%	0.374	S	S	.	.	H	α-helix	trans	-68.5	-40.7	174.8	-56.8	0	0	0	0	111.6	Y718 H725	Y718-S721 PolarHBondContact O-N 3.25Å; Y718-S721 VanDerWaalsContact O-N 3.11Å; S721-H725 VanDerWaalsContact O-CB 3.26Å; S721-H725 WeakPolarHBondContact O-CB 3.42Å; S721-H725 PolarHBondContact O-N 3.4Å
722	L	81.4	Confident	74.4	Confident	22 Å²	22	66.7 Å²	66.7	12%	0.115	37%	0.365	C	S	.	.	H	α-helix	trans	-60.3	-44	170.9	172.2	61.3	0	0	0	111.6	C709 F716 Y718 F719 H725 A726	C709-L722 HydrophobicContact CB-CD1 3.5Å; F716-L722 HydrophobicContact CB-CB 4.35Å; F716-L722 HydrophobicContact CD2-CB 4.11Å; F716-L722 HydrophobicContact CD2-CD1 4.09Å; F716-L722 HydrophobicContact CE2-CD1 4.37Å; F716-L722 HydrophobicContact CG-CB 4.38Å; Y718-L722 PolarHBondContact O-N 2.67Å; Y718-L722 VanDerWaalsContact O-N 3.08Å; F719-L722 PolarHBondContact O-N 3Å; L722-H725 PolarHBondContact O-N 3.4Å; L722-A726 WeakPolarHBondContact O-CB 3.26Å; L722-A726 PolarHBondContact O-N 2.79Å
723	H	76.9	Confident	73.5	Confident	91 Å²	91	70.5 Å²	70.5	42%	0.421	38%	0.376	S	S	.	.	H	α-helix	trans	-69	-38.8	-178.7	177.9	59.6	0	0	0	112.9	F719 S720 H725 A726 R727	F719-H723 HydrophobicContact CE1-CB 4.42Å; F719-H723 WeakPolarHBondContact O-CB 3.49Å; F719-H723 PolarHBondContact O-N 3.2Å; S720-H723 PolarHBondContact O-N 2.71Å; H723-H725 VanDerWaalsContact C-N 3.34Å; H723-A726 PolarHBondContact O-N 3.37Å; H723-R727 PolarHBondContact CD2-NH2 2.97Å; H723-R727 PolarHBondContact NE2-NH2 3.07Å; H723-R727 PolarHBondContact O-N 3.39Å
724	I	76.9	Confident	72.8	Confident	84 Å²	84	72 Å²	72	43%	0.431	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-43.3	171.3	-68.6	162.9	0	0	0	109.8	S720 A726 R727	S720-I724 WeakPolarHBondContact O-CD1 3.39Å; S720-I724 VanDerWaalsContact O-CG1 3.27Å; S720-I724 WeakPolarHBondContact O-CG1 3.39Å; S720-I724 PolarHBondContact O-N 3.4Å; I724-A726 PolarHBondContact O-N 3.33Å; I724-R727 WeakPolarHBondContact O-CB 2.8Å; I724-R727 PolarHBondContact O-N 3.1Å
725	H	79.9	Confident	71.9	Confident	21 Å²	21	72.2 Å²	72.2	10%	0.097	38%	0.376	C	S	.	.	H	α-helix	trans	-65.2	-37.9	176.9	173	45.4	0	0	0	113.3	C712 F716 S721 L722 H723 R727 T728 H729	C712-H725 PolarHBondContact SG-NE2 3.2Å; F716-H725 HydrophobicContact CE1-CB 4.17Å; F716-H725 HydrophobicContact CE2-CB 4.08Å; F716-H725 AromaticContact CE2-CD2 3.2Å; F716-H725 WeakPolarHBondContact CE2-CD2 3.49Å; F716-H725 AromaticContact CE2-CG 3.82Å; F716-H725 HydrophobicContact CZ-CB 3.63Å; F716-H725 AromaticContact CZ-CD2 3.27Å; F716-H725 WeakPolarHBondContact CZ-CD2 3.48Å; F716-H725 AromaticContact CZ-CG 3.44Å; F716-H725 VanDerWaalsContact CZ-CG 3.44Å; S721-H725 VanDerWaalsContact O-CB 3.26Å; S721-H725 WeakPolarHBondContact O-CB 3.42Å; S721-H725 PolarHBondContact O-N 3.4Å; L722-H725 PolarHBondContact O-N 3.4Å; H723-H725 VanDerWaalsContact C-N 3.34Å; H725-R727 PolarHBondContact O-N 2.91Å; H725-T728 PolarHBondContact ND1-OG1 3.32Å; H725-T728 WeakPolarHBondContact O-CA 3.37Å; H725-T728 WeakPolarHBondContact O-CB 3.21Å; H725-T728 PolarHBondContact O-N 3.39Å; H725-T728 PolarHBondContact O-OG1 2.67Å; H725-H729 AromaticContact CE1-NE2 3.89Å
726	A	76.4	Confident	71	Confident	26 Å²	26	77.1 Å²	77.1	22%	0.215	39%	0.394	C	S	.	.	H	α-helix	trans	-58.2	-34.9	175.9	0	0	0	0	0	112.2	L722 H723 I724 T728 H729 M730	L722-A726 WeakPolarHBondContact O-CB 3.26Å; L722-A726 PolarHBondContact O-N 2.79Å; H723-A726 PolarHBondContact O-N 3.37Å; I724-A726 PolarHBondContact O-N 3.33Å; A726-T728 PolarHBondContact O-N 3.23Å; A726-H729 WeakPolarHBondContact O-CB 3.5Å; A726-H729 PolarHBondContact O-N 3.06Å; A726-M730 PolarHBondContact O-N 3.48Å
727	R	76.1	Confident	70.3	Confident	45 Å²	45	76.6 Å²	76.6	17%	0.17	40%	0.396	C	S	.	.	H	α-helix	trans	-60.5	-28.6	172.8	-62	173.7	-167.2	-175.7	-5.3	113	H723 I724 H725 H729 M730 G731 E732	H723-R727 PolarHBondContact CD2-NH2 2.97Å; H723-R727 PolarHBondContact NE2-NH2 3.07Å; H723-R727 PolarHBondContact O-N 3.39Å; I724-R727 WeakPolarHBondContact O-CB 2.8Å; I724-R727 PolarHBondContact O-N 3.1Å; H725-R727 PolarHBondContact O-N 2.91Å; R727-H729 VanDerWaalsContact C-N 3.26Å; R727-H729 PolarHBondContact O-N 3.31Å; R727-M730 CarbonylContact O-C 3.51Å; R727-M730 PolarHBondContact O-N 3.11Å; R727-G731 PolarHBondContact O-N 3.29Å; R727-E732 HydrophobicContact CB-CB 4.17Å; R727-E732 HydrophobicContact CG-CB 4.47Å; R727-E732 PolarHBondContact O-N 2.62Å
728	T	73.9	Confident	70	Confident	70 Å²	70	84.1 Å²	84.1	43%	0.429	43%	0.426	S	S	.	.	H	α-helix	trans	-70.7	-19.3	176	71.2	0	0	0	0	113.3	H725 A726	H725-T728 PolarHBondContact ND1-OG1 3.32Å; H725-T728 WeakPolarHBondContact O-CA 3.37Å; H725-T728 WeakPolarHBondContact O-CB 3.21Å; H725-T728 PolarHBondContact O-N 3.39Å; H725-T728 PolarHBondContact O-OG1 2.67Å; A726-T728 PolarHBondContact O-N 3.23Å
729	H	75.2	Confident	69.7	Low	94 Å²	94	86.6 Å²	86.6	44%	0.435	45%	0.447	S	S	.	.	H	α-helix	trans	-83.3	-35.8	167.6	-62.2	-52.6	0	0	0	111.9	C709 E711 C712 H725 A726 R727 G731	C709-H729 VanDerWaalsContact SG-CD2 3.59Å; E711-H729 VanDerWaalsContact OE2-CB 3.28Å; E711-H729 WeakPolarHBondContact OE2-CB 3.17Å; E711-H729 IonicContact OE2-CD2 3.05Å; E711-H729 PolarHBondContact OE2-CD2 2.94Å; E711-H729 IonicContact OE2-CG 3.02Å; C712-H729 WeakPolarHBondContact CB-NE2 3.44Å; C712-H729 PolarHBondContact SG-NE2 2.88Å; H725-H729 AromaticContact CE1-NE2 3.89Å; A726-H729 WeakPolarHBondContact O-CB 3.5Å; A726-H729 PolarHBondContact O-N 3.06Å; R727-H729 VanDerWaalsContact C-N 3.26Å; R727-H729 PolarHBondContact O-N 3.31Å; H729-G731 VanDerWaalsContact C-N 3.28Å; H729-G731 PolarHBondContact O-N 3.44Å
730	M	67.4	Low	69.6	Low	127 Å²	127	84 Å²	84	63%	0.626	44%	0.444	S	S	*	.	H	α-helix	trans	-77.6	-8.7	177.2	-62	178.1	62.4	0	0	114.1	A726 R727 E732	A726-M730 PolarHBondContact O-N 3.48Å; R727-M730 CarbonylContact O-C 3.51Å; R727-M730 PolarHBondContact O-N 3.11Å; M730-E732 HydrophobicContact CB-CG 4.12Å; M730-E732 WeakPolarHBondContact CE-OE1 3.02Å; M730-E732 PolarHBondContact O-N 3.37Å
731	G	62.9	Low	68.6	Low	55 Å²	55	83 Å²	83	57%	0.567	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	4.1	-176.4	0	0	0	0	0	115.1	R727 H729 K733	R727-G731 PolarHBondContact O-N 3.29Å; H729-G731 VanDerWaalsContact C-N 3.28Å; H729-G731 PolarHBondContact O-N 3.44Å; G731-K733 PolarHBondContact O-N 3.41Å
732	E	60.1	Low	67.6	Low	90 Å²	90	88 Å²	88	42%	0.421	46%	0.461	S	S	.	.			trans	-65.4	125.9	-178.1	-68.9	-175.3	170.1	0	0	111.3	R727 M730	R727-E732 HydrophobicContact CB-CB 4.17Å; R727-E732 HydrophobicContact CG-CB 4.47Å; R727-E732 PolarHBondContact O-N 2.62Å; M730-E732 HydrophobicContact CB-CG 4.12Å; M730-E732 WeakPolarHBondContact CE-OE1 3.02Å; M730-E732 PolarHBondContact O-N 3.37Å
733	K	61.2	Low	66.4	Low	129 Å²	129	89.1 Å²	89.1	56%	0.561	47%	0.473	S	S	*	.			trans	-123	81.2	175.8	-67.1	-176.2	177.6	-172.9	0	110.4	G731 Y735 A743 F744	G731-K733 PolarHBondContact O-N 3.41Å; K733-Y735 PolarHBondContact O-N 2.87Å; K733-A743 HydrophobicContact CB-CB 3.87Å; K733-A743 HydrophobicContact CD-CB 4.2Å; K733-A743 WeakPolarHBondContact CD-O 3.22Å; K733-F744 CarbonylContact C-O 3.54Å; K733-F744 VanDerWaalsContact C-O 3.23Å; K733-F744 VanDerWaalsContact CA-O 3.28Å; K733-F744 WeakPolarHBondContact CA-O 3.28Å; K733-F744 WeakPolarHBondContact CB-O 3.41Å
734	P	59.8	Low	65.6	Low	72 Å²	72	90 Å²	90	47%	0.468	48%	0.476	S	S	.	.			trans	-76.4	-4.3	-167.7	-16.3	32.8	0	0	0	114.9
735	Y	58.6	Low	64.7	Low	123 Å²	123	89.1 Å²	89.1	48%	0.482	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	113.8	-173.6	-55.2	-69.5	0	0	0	110.2	K733 A743 F744	K733-Y735 PolarHBondContact O-N 2.87Å; Y735-A743 CarbonylContact O-C 3.52Å; Y735-A743 WeakPolarHBondContact O-CA 3.13Å; Y735-F744 VanDerWaalsContact CB-CE2 3.44Å; Y735-F744 HydrophobicContact CG-CE2 4.24Å; Y735-F744 PolarHBondContact N-O 2.93Å; Y735-F744 VanDerWaalsContact O-CD1 3.27Å; Y735-F744 WeakPolarHBondContact O-CD1 3.43Å; Y735-F744 WeakPolarHBondContact O-CE1 3.46Å; Y735-F744 PolarHBondContact O-N 3.25Å
736	E	55.6	Low	63.9	Low	133 Å²	133	92.5 Å²	92.5	62%	0.621	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.2	177.3	-168.7	-176	165.1	0	0	110	K738	E736-K738 PolarHBondContact O-N 2.86Å
737	C	62.7	Low	63.3	Low	37 Å²	37	96 Å²	96	25%	0.25	51%	0.511	C	S	.	.			trans	-73.4	107.2	170.4	-175.6	0	0	0	0	109.4	D739 C740 G741 K742 F744	C737-D739 PolarHBondContact O-N 3.19Å; C737-D739 VanDerWaalsContact O-N 3.14Å; C737-C740 VanDerWaalsContact CB-SG 3.6Å; C737-C740 PolarHBondContact O-N 2.91Å; C737-C740 VanDerWaalsContact O-N 3.12Å; C737-G741 WeakPolarHBondContact O-CA 3.28Å; C737-G741 PolarHBondContact O-N 2.75Å; C737-K742 PolarHBondContact N-O 3.35Å; C737-F744 HydrophobicContact CB-CE1 4.09Å
738	K	64.1	Low	62.5	Low	198 Å²	198	98.8 Å²	98.8	86%	0.861	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.7	-179.6	-66.3	-168.5	174.2	-168.9	0	113.6	E736	E736-K738 PolarHBondContact O-N 2.86Å
739	D	62.9	Low	61.9	Low	157 Å²	157	100.5 Å²	100.5	84%	0.84	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.3	-177.7	-45.6	-66.4	0	0	0	113.3	C737	C737-D739 PolarHBondContact O-N 3.19Å; C737-D739 VanDerWaalsContact O-N 3.14Å
740	C	73.8	Confident	61.1	Low	75 Å²	75	100.9 Å²	100.9	51%	0.507	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	10	178.6	74.1	0	0	0	0	116.6	C737 K742	C737-C740 VanDerWaalsContact CB-SG 3.6Å; C737-C740 PolarHBondContact O-N 2.91Å; C737-C740 VanDerWaalsContact O-N 3.12Å; C740-K742 PolarHBondContact O-N 2.8Å
741	G	56.4	Low	60.6	Low	49 Å²	49	99.2 Å²	99.2	51%	0.505	54%	0.536	S	S	.	.			trans	64.8	3.6	176.1	0	0	0	0	0	115.8	C737 A743	C737-G741 WeakPolarHBondContact O-CA 3.28Å; C737-G741 PolarHBondContact O-N 2.75Å; G741-A743 PolarHBondContact O-N 3.24Å
742	K	57.8	Low	60.5	Low	150 Å²	150	102.4 Å²	102.4	65%	0.652	53%	0.534	S	S	*	.			trans	-84.4	115.6	-175.7	-71.6	176.9	-177.1	176.2	0	110.6	C737 C740 F744	C737-K742 PolarHBondContact N-O 3.35Å; C740-K742 PolarHBondContact O-N 2.8Å; K742-F744 WeakPolarHBondContact O-CD1 3.24Å
743	A	56.1	Low	60.5	Low	46 Å²	46	103.3 Å²	103.3	38%	0.38	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	139.5	169.2	0	0	0	0	0	111.9	K733 Y735 G741	K733-A743 HydrophobicContact CB-CB 3.87Å; K733-A743 HydrophobicContact CD-CB 4.2Å; K733-A743 WeakPolarHBondContact CD-O 3.22Å; Y735-A743 CarbonylContact O-C 3.52Å; Y735-A743 WeakPolarHBondContact O-CA 3.13Å; G741-A743 PolarHBondContact O-N 3.24Å
744	F	60.3	Low	60.4	Low	110 Å²	110	101.2 Å²	101.2	48%	0.482	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.9	176.4	52.6	-86	0	0	0	111.8	K733 Y735 C737 K742	K733-F744 CarbonylContact C-O 3.54Å; K733-F744 VanDerWaalsContact C-O 3.23Å; K733-F744 VanDerWaalsContact CA-O 3.28Å; K733-F744 WeakPolarHBondContact CA-O 3.28Å; K733-F744 WeakPolarHBondContact CB-O 3.41Å; Y735-F744 VanDerWaalsContact CB-CE2 3.44Å; Y735-F744 HydrophobicContact CG-CE2 4.24Å; Y735-F744 PolarHBondContact N-O 2.93Å; Y735-F744 VanDerWaalsContact O-CD1 3.27Å; Y735-F744 WeakPolarHBondContact O-CD1 3.43Å; Y735-F744 WeakPolarHBondContact O-CE1 3.46Å; Y735-F744 PolarHBondContact O-N 3.25Å; C737-F744 HydrophobicContact CB-CE1 4.09Å; K742-F744 WeakPolarHBondContact O-CD1 3.24Å
745	S	57.3	Low	60.5	Low	64 Å²	64	103.8 Å²	103.8	45%	0.448	55%	0.548	S	S	.	.			trans	-100.2	0	-168.9	58.7	0	0	0	0	113.7

Retrieved 745 of 745 residues in 607.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).