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Polycomb protein SCMH1

Associates with Polycomb group (PcG) multiprotein complexes; the complex class is required to maintain the transcriptionally repressive state of some genes. Putative Polycomb group (PcG) protein. PcG proteins act by forming multiprotein complexes, which are required to maintain the transcriptionally repressive state of homeotic genes throughout development. May be involved in spermatogenesis during sexual maturation.

AlphaFold DB (A0A2K5ZEF5), UniProt , Accession A0A096MU78, Species PAPAN (Papio anubis, Olive baboon), Gene SCMH1, Length 660 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	29.4	Very low	227 Å²	227	149.1 Å²	149.1	100%	1.118	83%	0.833	S	S	*	*				0	137.1	0	-66.1	-153.4	-59.7	0	0	107.9
2	L	30.6	Very low	29.6	Very low	148 Å²	148	150.1 Å²	150.1	78%	0.775	83%	0.832	S	S	*	*			cis	-132.6	151.1	-20.6	-113.3	67.7	0	0	0	103.8
3	V	29.7	Very low	29.6	Very low	114 Å²	114	151.8 Å²	151.8	69%	0.691	84%	0.837	S	S	*	*			cis	77.7	99.9	30.7	-174.3	0	0	0	0	114.5
4	C	27.9	Very low	29.7	Very low	105 Å²	105	158.6 Å²	158.6	71%	0.709	85%	0.845	S	S	*	*			trans	73.5	162.2	152.8	-66.8	0	0	0	0	121.5
5	Y	28.2	Very low	29.7	Very low	226 Å²	226	158.9 Å²	158.9	89%	0.886	85%	0.847	S	S	*	*			trans	74	146.6	177.1	-59.3	-84.8	0	0	0	116.3
6	S	30.3	Very low	29.6	Very low	112 Å²	112	159.6 Å²	159.6	78%	0.783	85%	0.849	S	S	*	*			cis	-128.5	143.8	9.3	49.3	0	0	0	0	114.4
7	V	31.9	Very low	30.1	Very low	137 Å²	137	157.4 Å²	157.4	83%	0.83	85%	0.846	S	S	*	*			trans	-98.2	119	157.5	170.5	0	0	0	0	106.8
8	L	27.8	Very low	30.1	Very low	166 Å²	166	156.3 Å²	156.3	87%	0.869	85%	0.85	S	S	*	*			trans	-171.2	166.8	154.5	-133.3	68.3	0	0	0	112.1
9	A	27.4	Very low	30.2	Very low	91 Å²	91	153.3 Å²	153.3	75%	0.752	84%	0.842	S	S	*	*			trans	62.1	84.6	162.1	0	0	0	0	0	118.1
10	C	26.5	Very low	30.3	Very low	134 Å²	134	153 Å²	153	91%	0.905	84%	0.838	S	S	*	*				-164.2	73.9	111.7	-115.4	0	0	0	0	111.8
11	E	31.1	Very low	30.5	Very low	180 Å²	180	154.7 Å²	154.7	84%	0.841	84%	0.842	S	S	*	*			trans	-74	-176.3	144	-66.6	-166.7	135.6	0	0	109.2
12	I	32.1	Very low	30.3	Very low	161 Å²	161	147.2 Å²	147.2	83%	0.826	82%	0.824	S	S	*	*			trans	74.7	75.3	-177.7	-43	169.4	0	0	0	113.7
13	L	29.7	Very low	30.7	Very low	172 Å²	172	145.9 Å²	145.9	90%	0.901	83%	0.827	S	S	*	*			trans	-144.9	39.4	136.4	-147.8	79.8	0	0	0	112.4
14	W	30.6	Very low	31.2	Very low	248 Å²	248	146.2 Å²	146.2	94%	0.939	83%	0.831	S	S	*	*			trans	-104.6	88.1	166	-72.1	96.5	0	0	0	108.8
15	D	29.6	Very low	32	Very low	163 Å²	163	149.5 Å²	149.5	87%	0.872	84%	0.841	S	S	*	*			trans	-178.4	114.7	147.6	-102.6	-26	0	0	0	111.7
16	L	28.6	Very low	33.1	Very low	169 Å²	169	142 Å²	142	89%	0.885	83%	0.832	S	S	*	*			trans	-162.8	122.6	153.6	-108.9	174.8	0	0	0	107.8
17	P	38.4	Very low	35.1	Very low	122 Å²	122	145 Å²	145	79%	0.792	83%	0.833	S	S	*	*			trans	-88	126.1	-168.8	32.5	-33.3	0	0	0	112.4
18	C	28.8	Very low	37.8	Very low	138 Å²	138	141.5 Å²	141.5	93%	0.932	81%	0.807	S	S	*	*			trans	-118.3	109.6	164.6	-162.7	0	0	0	0	109
19	S	32	Very low	41	Very low	100 Å²	100	137 Å²	137	70%	0.699	79%	0.787	S	S	*	*			trans	-124.9	159.6	-168.6	-156.7	0	0	0	0	111.9
20	I	34.1	Very low	44.2	Very low	147 Å²	147	133.5 Å²	133.5	75%	0.754	75%	0.754	S	S	*	*			trans	73.4	78.2	163.6	-57.8	153.3	0	0	0	116
21	M	33.3	Very low	47.5	Very low	188 Å²	188	132.6 Å²	132.6	93%	0.926	74%	0.74	S	S	*	*				166.3	145.8	105.1	-84.5	-157.6	-73.2	0	0	113
22	G	27.6	Very low	50.5	Low	71 Å²	71	129.3 Å²	129.3	73%	0.732	72%	0.723	S	S	*	*			trans	105.3	37.5	151.9	0	0	0	0	0	121.2
23	S	40	Very low	53.5	Low	119 Å²	119	122.8 Å²	122.8	83%	0.832	69%	0.688	S	S	*	*			trans	36	115.6	153.6	62.3	0	0	0	0	121.6
24	P	40.1	Very low	56.7	Low	122 Å²	122	115.6 Å²	115.6	79%	0.792	65%	0.651	S	S	*	*			trans	-110.1	138.7	157.9	35.5	-26.9	0	0	0	113.5	G26	P24-G26 PolarHBondContact O-N 3.32Å
25	L	43.3	Very low	59.8	Low	174 Å²	174	111.7 Å²	111.7	91%	0.911	64%	0.64	S	S	*	*			trans	-69.9	108.2	157.1	-83.1	159.8	0	0	0	107.5	H27	L25-H27 PolarHBondContact O-N 3.01Å
26	G	51.1	Low	62.9	Low	68 Å²	68	109.7 Å²	109.7	70%	0.701	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-61.4	133.5	-170	0	0	0	0	0	113.8	P24	P24-G26 PolarHBondContact O-N 3.32Å
27	H	73.8	Confident	66.1	Low	174 Å²	174	102.9 Å²	102.9	81%	0.806	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-60.1	149.7	173.6	-76.8	-113.5	0	0	0	111.7	L25 T29	L25-H27 PolarHBondContact O-N 3.01Å; H27-T29 PolarHBondContact O-N 3.45Å
28	F	88.9	Confident	68.8	Low	64 Å²	64	103.1 Å²	103.1	28%	0.281	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-61.3	133.2	172.8	176.7	-91.5	0	0	0	110.5	W30 Y33 P186 L232 P234 P235	F28-W30 AromaticContact CE1-CD1 3.96Å; F28-W30 AromaticContact CE1-CD2 3.86Å; F28-W30 HydrophobicContact CE1-CD2 3.86Å; F28-W30 AromaticContact CE1-CE2 3.88Å; F28-W30 HydrophobicContact CE1-CE3 4.5Å; F28-W30 AromaticContact CE1-CG 3.94Å; F28-W30 HydrophobicContact CE1-CG 3.94Å; F28-W30 AromaticContact CE1-NE1 3.92Å; F28-W30 AromaticContact CZ-CD2 3.84Å; F28-W30 HydrophobicContact CZ-CD2 3.84Å; F28-W30 HydrophobicContact CZ-CE3 4.02Å; F28-W30 HydrophobicContact CZ-CG 4.3Å; F28-W30 HydrophobicContact CZ-CZ2 4.4Å; F28-W30 HydrophobicContact CZ-CZ3 4.39Å; F28-Y33 AromaticContact CE2-CD1 3.71Å; F28-Y33 HydrophobicContact CE2-CD1 3.71Å; F28-Y33 HydrophobicContact CE2-CD2 4.02Å; F28-Y33 HydrophobicContact CE2-CE1 4.37Å; F28-Y33 AromaticContact CE2-CG 3.52Å; F28-Y33 HydrophobicContact CE2-CG 3.52Å; F28-Y33 AromaticContact CZ-CD1 3.83Å; F28-Y33 HydrophobicContact CZ-CD1 3.83Å; F28-Y33 AromaticContact CZ-CG 3.99Å; F28-Y33 HydrophobicContact CZ-CG 3.99Å; F28-P186 HydrophobicContact CE1-CG 4.15Å; F28-P186 HydrophobicContact CE2-CG 4.17Å; F28-P186 HydrophobicContact CZ-CB 4.46Å; F28-P186 HydrophobicContact CZ-CG 3.69Å; F28-L232 HydrophobicContact CD1-CD2 3.98Å; F28-L232 HydrophobicContact CE1-CD2 3.68Å; F28-P234 HydrophobicContact CB-CB 4.36Å; F28-P235 VanDerWaalsContact CD2-CD 3.48Å; F28-P235 HydrophobicContact CD2-CG 4.19Å; F28-P235 VanDerWaalsContact CE2-CD 3.49Å; F28-P235 HydrophobicContact CE2-CG 3.73Å
29	T	93.2	Very high	72	Confident	72 Å²	72	98.1 Å²	98.1	44%	0.442	56%	0.561	S	S	.	*			trans	-140.9	132.2	176.9	39.8	0	0	0	0	109.2	H27 D31 K32 Y33	H27-T29 PolarHBondContact O-N 3.45Å; T29-D31 PolarHBondContact O-N 2.95Å; T29-K32 PolarHBondContact O-N 3.04Å; T29-K32 WeakPolarHBondContact OG1-CB 3.37Å; T29-Y33 WeakPolarHBondContact O-CB 3.18Å; T29-Y33 PolarHBondContact O-N 3.3Å
30	W	95.4	Very high	75.2	Confident	18 Å²	18	97.7 Å²	97.7	7%	0.068	55%	0.554	C	S	.	*	H	α-helix	trans	-64.6	-41.4	-173.9	-87.6	118.8	0	0	0	113.4	F28 K32 Y33 L34 K172 E174 P186 V222 L232	F28-W30 AromaticContact CE1-CD1 3.96Å; F28-W30 AromaticContact CE1-CD2 3.86Å; F28-W30 HydrophobicContact CE1-CD2 3.86Å; F28-W30 AromaticContact CE1-CE2 3.88Å; F28-W30 HydrophobicContact CE1-CE3 4.5Å; F28-W30 AromaticContact CE1-CG 3.94Å; F28-W30 HydrophobicContact CE1-CG 3.94Å; F28-W30 AromaticContact CE1-NE1 3.92Å; F28-W30 AromaticContact CZ-CD2 3.84Å; F28-W30 HydrophobicContact CZ-CD2 3.84Å; F28-W30 HydrophobicContact CZ-CE3 4.02Å; F28-W30 HydrophobicContact CZ-CG 4.3Å; F28-W30 HydrophobicContact CZ-CZ2 4.4Å; F28-W30 HydrophobicContact CZ-CZ3 4.39Å; W30-K32 VanDerWaalsContact C-N 3.3Å; W30-K32 PolarHBondContact O-N 2.85Å; W30-Y33 HydrophobicContact CE3-CD1 4.06Å; W30-Y33 AromaticContact CZ3-CD1 3.86Å; W30-Y33 HydrophobicContact CZ3-CD1 3.86Å; W30-Y33 HydrophobicContact CZ3-CE1 4.35Å; W30-Y33 PolarHBondContact O-N 3.11Å; W30-Y33 VanDerWaalsContact O-N 3.16Å; W30-L34 HydrophobicContact CE3-CG 4.27Å; W30-L34 WeakPolarHBondContact O-CB 3.28Å; W30-L34 VanDerWaalsContact O-CG 3.3Å; W30-L34 WeakPolarHBondContact O-CG 3.26Å; W30-L34 PolarHBondContact O-N 3.28Å; W30-K172 HydrophobicContact CH2-CB 4.46Å; W30-K172 HydrophobicContact CZ3-CB 4.09Å; W30-K172 HydrophobicContact CZ3-CD 4.11Å; W30-E174 HydrophobicContact CZ2-CG 3.61Å; W30-E174 PolarHBondContact NE1-OE1 2.67Å; W30-P186 HydrophobicContact CH2-CB 3.57Å; W30-P186 HydrophobicContact CH2-CG 4.04Å; W30-P186 HydrophobicContact CZ2-CB 3.91Å; W30-P186 HydrophobicContact CZ2-CG 3.9Å; W30-P186 HydrophobicContact CZ3-CB 4.36Å; W30-V222 HydrophobicContact CB-CG1 3.7Å; W30-V222 HydrophobicContact CD2-CB 4.32Å; W30-V222 HydrophobicContact CD2-CG1 3.53Å; W30-V222 HydrophobicContact CD2-CG2 4.06Å; W30-V222 HydrophobicContact CE3-CG1 3.94Å; W30-V222 HydrophobicContact CE3-CG2 3.94Å; W30-V222 HydrophobicContact CG-CG1 3.45Å; W30-V222 VanDerWaalsContact CG-CG1 3.45Å; W30-V222 HydrophobicContact CH2-CG2 3.87Å; W30-V222 HydrophobicContact CZ2-CG2 3.99Å; W30-V222 HydrophobicContact CZ3-CG2 3.84Å; W30-L232 HydrophobicContact CZ2-CD2 4.46Å; W30-L232 VanDerWaalsContact NE1-CD2 3.35Å
31	D	94.9	Very high	78.2	Confident	115 Å²	115	93.4 Å²	93.4	62%	0.615	54%	0.536	S	S	*	.	H	α-helix	trans	-60.9	-40	178.9	-60.9	-58	0	0	0	112.6	T29 K35	T29-D31 PolarHBondContact O-N 2.95Å; D31-K35 WeakPolarHBondContact O-CB 3.33Å; D31-K35 VanDerWaalsContact O-CD 3.29Å; D31-K35 WeakPolarHBondContact O-CD 3.49Å; D31-K35 WeakPolarHBondContact O-CG 3.45Å; D31-K35 PolarHBondContact O-N 2.9Å
32	K	94.5	Very high	81.4	Confident	110 Å²	110	84.7 Å²	84.7	48%	0.478	49%	0.493	S	S	.	.	H	α-helix	trans	-66.8	-48.5	174.5	-179.5	178.3	170.8	179.8	0	110.1	T29 W30 L34 K35 E36	T29-K32 PolarHBondContact O-N 3.04Å; T29-K32 WeakPolarHBondContact OG1-CB 3.37Å; W30-K32 VanDerWaalsContact C-N 3.3Å; W30-K32 PolarHBondContact O-N 2.85Å; K32-L34 PolarHBondContact O-N 2.85Å; K32-K35 PolarHBondContact O-N 2.78Å; K32-E36 WeakPolarHBondContact CE-OE1 3.41Å; K32-E36 WeakPolarHBondContact CE-OE2 3.46Å; K32-E36 HydrophobicContact CG-CG 4.27Å; K32-E36 IonicContact NZ-OE1 2.75Å; K32-E36 WeakPolarHBondContact O-CB 3.44Å; K32-E36 WeakPolarHBondContact O-CG 3.43Å; K32-E36 PolarHBondContact O-N 2.71Å
33	Y	95.9	Very high	84.7	Confident	25 Å²	25	83.6 Å²	83.6	10%	0.098	47%	0.473	C	S	.	.	H	α-helix	trans	-64.9	-40.2	-176.2	-171.8	-120.1	0	0	0	113.1	F28 T29 W30 E36 T37 K172 P186 D202 P235	F28-Y33 AromaticContact CE2-CD1 3.71Å; F28-Y33 HydrophobicContact CE2-CD1 3.71Å; F28-Y33 HydrophobicContact CE2-CD2 4.02Å; F28-Y33 HydrophobicContact CE2-CE1 4.37Å; F28-Y33 AromaticContact CE2-CG 3.52Å; F28-Y33 HydrophobicContact CE2-CG 3.52Å; F28-Y33 AromaticContact CZ-CD1 3.83Å; F28-Y33 HydrophobicContact CZ-CD1 3.83Å; F28-Y33 AromaticContact CZ-CG 3.99Å; F28-Y33 HydrophobicContact CZ-CG 3.99Å; T29-Y33 WeakPolarHBondContact O-CB 3.18Å; T29-Y33 PolarHBondContact O-N 3.3Å; W30-Y33 HydrophobicContact CE3-CD1 4.06Å; W30-Y33 AromaticContact CZ3-CD1 3.86Å; W30-Y33 HydrophobicContact CZ3-CD1 3.86Å; W30-Y33 HydrophobicContact CZ3-CE1 4.35Å; W30-Y33 PolarHBondContact O-N 3.11Å; W30-Y33 VanDerWaalsContact O-N 3.16Å; Y33-E36 PolarHBondContact O-N 3.35Å; Y33-T37 HydrophobicContact CD2-CG2 3.99Å; Y33-T37 HydrophobicContact CE1-CG2 4.28Å; Y33-T37 HydrophobicContact CE2-CG2 3.53Å; Y33-T37 WeakPolarHBondContact O-CB 3.15Å; Y33-T37 WeakPolarHBondContact O-CG2 3.39Å; Y33-T37 PolarHBondContact O-N 3.4Å; Y33-T37 PolarHBondContact O-OG1 3.25Å; Y33-K172 HydrophobicContact CD1-CD 4.36Å; Y33-K172 HydrophobicContact CE1-CD 4.03Å; Y33-P186 HydrophobicContact CE1-CB 4.45Å; Y33-D202 WeakPolarHBondContact CE1-OD2 3.32Å; Y33-D202 PolarHBondContact OH-OD2 2.56Å; Y33-P235 HydrophobicContact CD2-CG 4.44Å; Y33-P235 HydrophobicContact CE1-CG 4.04Å; Y33-P235 HydrophobicContact CE2-CG 3.86Å
34	L	96.3	Very high	87.5	Confident	21 Å²	21	81.5 Å²	81.5	11%	0.11	46%	0.455	C	S	.	.	H	α-helix	trans	-62.4	-42.5	174.7	-72.9	164.9	0	0	0	111.6	W30 K32 C38 S39 P41 K172 V222	W30-L34 HydrophobicContact CE3-CG 4.27Å; W30-L34 WeakPolarHBondContact O-CB 3.28Å; W30-L34 VanDerWaalsContact O-CG 3.3Å; W30-L34 WeakPolarHBondContact O-CG 3.26Å; W30-L34 PolarHBondContact O-N 3.28Å; K32-L34 PolarHBondContact O-N 2.85Å; L34-C38 PolarHBondContact O-N 3.06Å; L34-S39 WeakPolarHBondContact CD2-O 3.49Å; L34-S39 PolarHBondContact O-N 2.75Å; L34-P41 HydrophobicContact CD1-CB 4.41Å; L34-P41 HydrophobicContact CD1-CG 4.28Å; L34-K172 HydrophobicContact CD2-CB 4.22Å; L34-K172 HydrophobicContact CD2-CD 4.12Å; L34-V222 HydrophobicContact CD1-CG1 4.34Å
35	K	96.4	Very high	90.3	Very high	165 Å²	165	79.6 Å²	79.6	72%	0.717	44%	0.436	S	S	*	.	H	α-helix	trans	-65.2	-46.6	174.7	-70.4	168.4	-171.5	174.4	0	112	D31 K32 T37 C38	D31-K35 WeakPolarHBondContact O-CB 3.33Å; D31-K35 VanDerWaalsContact O-CD 3.29Å; D31-K35 WeakPolarHBondContact O-CD 3.49Å; D31-K35 WeakPolarHBondContact O-CG 3.45Å; D31-K35 PolarHBondContact O-N 2.9Å; K32-K35 PolarHBondContact O-N 2.78Å; K35-T37 VanDerWaalsContact C-N 3.29Å; K35-T37 PolarHBondContact O-N 2.85Å; K35-C38 PolarHBondContact O-N 3.24Å
36	E	95.3	Very high	92.9	Very high	122 Å²	122	71.3 Å²	71.3	57%	0.57	39%	0.392	S	S	*	.	H	α-helix	trans	-66.4	-28.1	179.4	-74	-180	152.3	0	0	113.4	K32 Y33	K32-E36 WeakPolarHBondContact CE-OE1 3.41Å; K32-E36 WeakPolarHBondContact CE-OE2 3.46Å; K32-E36 HydrophobicContact CG-CG 4.27Å; K32-E36 IonicContact NZ-OE1 2.75Å; K32-E36 WeakPolarHBondContact O-CB 3.44Å; K32-E36 WeakPolarHBondContact O-CG 3.43Å; K32-E36 PolarHBondContact O-N 2.71Å; Y33-E36 PolarHBondContact O-N 3.35Å
37	T	94.6	Very high	95.2	Very high	26 Å²	26	68.4 Å²	68.4	16%	0.16	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	5.5	177.8	58.6	0	0	0	0	114.1	Y33 K35 S39 K172 I241	Y33-T37 HydrophobicContact CD2-CG2 3.99Å; Y33-T37 HydrophobicContact CE1-CG2 4.28Å; Y33-T37 HydrophobicContact CE2-CG2 3.53Å; Y33-T37 WeakPolarHBondContact O-CB 3.15Å; Y33-T37 WeakPolarHBondContact O-CG2 3.39Å; Y33-T37 PolarHBondContact O-N 3.4Å; Y33-T37 PolarHBondContact O-OG1 3.25Å; K35-T37 VanDerWaalsContact C-N 3.29Å; K35-T37 PolarHBondContact O-N 2.85Å; T37-S39 PolarHBondContact O-N 3.22Å; T37-S39 VanDerWaalsContact O-N 3.08Å; T37-S39 PolarHBondContact O-OG 2.76Å; T37-S39 WeakPolarHBondContact OG1-CB 3.39Å; T37-S39 PolarHBondContact OG1-OG 2.91Å; T37-K172 WeakPolarHBondContact OG1-CE 3.4Å; T37-I241 HydrophobicContact CG2-CD1 3.88Å
38	C	95.7	Very high	96.3	Very high	127 Å²	127	61.4 Å²	61.4	86%	0.858	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	37.5	-175.4	-59.8	0	0	0	0	113.4	L34 K35	L34-C38 PolarHBondContact O-N 3.06Å; K35-C38 PolarHBondContact O-N 3.24Å
39	S	96.7	Very high	96.8	Very high	32 Å²	32	58.9 Å²	58.9	22%	0.224	32%	0.317	C	S	.	.			trans	-116	160	-168.5	-66.3	0	0	0	0	111.9	L34 T37 K172	L34-S39 WeakPolarHBondContact CD2-O 3.49Å; L34-S39 PolarHBondContact O-N 2.75Å; T37-S39 PolarHBondContact O-N 3.22Å; T37-S39 VanDerWaalsContact O-N 3.08Å; T37-S39 PolarHBondContact O-OG 2.76Å; T37-S39 WeakPolarHBondContact OG1-CB 3.39Å; T37-S39 PolarHBondContact OG1-OG 2.91Å; S39-K172 WeakPolarHBondContact OG-CE 3.34Å
40	V	97.9	Very high	97	Very high	91 Å²	91	57.2 Å²	57.2	55%	0.552	31%	0.308	S	S	*	.			trans	-114.1	144.6	178	-64.4	0	0	0	0	111.5	M171 K172	V40-M171 HydrophobicContact CG2-CG 4.42Å; V40-M171 WeakPolarHBondContact O-CA 3.48Å; V40-K172 PolarHBondContact O-N 3.15Å
41	P	98.5	Very high	97	Very high	58 Å²	58	64.2 Å²	64.2	38%	0.377	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-72.1	150.8	171.7	32.3	-34.5	0	0	0	110.6	L34 K172 V222	L34-P41 HydrophobicContact CD1-CB 4.41Å; L34-P41 HydrophobicContact CD1-CG 4.28Å; P41-K172 CarbonylContact C-O 3.6Å; P41-K172 WeakPolarHBondContact CA-O 3.23Å; P41-V222 HydrophobicContact CB-CB 3.82Å; P41-V222 HydrophobicContact CB-CG1 4.32Å; P41-V222 HydrophobicContact CB-CG2 3.74Å
42	A	98.6	Very high	97	Very high	4 Å²	4	64.4 Å²	64.4	3%	0.033	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-65.9	129.9	165.5	0	0	0	0	0	109.9	F47 F167 M171 K172	A42-F47 HydrophobicContact CB-CE2 3.69Å; A42-F47 HydrophobicContact CB-CZ 3.69Å; A42-F167 HydrophobicContact CB-CD1 3.89Å; A42-F167 HydrophobicContact CB-CE1 3.67Å; A42-M171 HydrophobicContact CB-CB 4.02Å; A42-M171 HydrophobicContact CB-SD 4.11Å; A42-K172 PolarHBondContact N-O 3.35Å
43	P	98.4	Very high	97.1	Very high	49 Å²	49	60.4 Å²	60.4	32%	0.318	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-57.6	146	175.7	-27.3	34.6	0	0	0	113.1	H45 C46 F47 M171	P43-H45 WeakPolarHBondContact CB-CE1 3.11Å; P43-H45 PolarHBondContact O-N 3.02Å; P43-C46 VanDerWaalsContact O-CB 3.28Å; P43-C46 WeakPolarHBondContact O-CB 3.49Å; P43-C46 PolarHBondContact O-N 2.87Å; P43-C46 PolarHBondContact O-SG 2.82Å; P43-F47 WeakPolarHBondContact O-CD2 3.28Å; P43-M171 HydrophobicContact CG-CE 4.47Å
44	V	98.2	Very high	97.1	Very high	74 Å²	74	60.2 Å²	60.2	45%	0.448	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-56	-29.2	-177.2	-62.3	0	0	0	0	114.2	C46 F47 Y51 P221	V44-C46 PolarHBondContact O-N 3.23Å; V44-F47 PolarHBondContact O-N 2.87Å; V44-Y51 HydrophobicContact CB-CD1 4.28Å; V44-Y51 HydrophobicContact CB-CE1 4.13Å; V44-Y51 HydrophobicContact CG2-CD1 4.16Å; V44-Y51 HydrophobicContact CG2-CE1 3.81Å; V44-P221 HydrophobicContact CG1-CB 3.93Å; V44-P221 HydrophobicContact CG1-CG 4.28Å
45	H	97.9	Very high	97.1	Very high	82 Å²	82	62.2 Å²	62.2	38%	0.38	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-72.1	-6.7	177	64.2	-113.4	0	0	0	114.4	P43 F47 P162 F166	P43-H45 WeakPolarHBondContact CB-CE1 3.11Å; P43-H45 PolarHBondContact O-N 3.02Å; H45-F47 VanDerWaalsContact C-N 3.26Å; H45-P162 WeakPolarHBondContact O-CG 3.21Å; H45-F166 AromaticContact CD2-CD1 3.81Å; H45-F166 AromaticContact CD2-CG 3.72Å; H45-F166 AromaticContact NE2-CD1 3.85Å
46	C	98.4	Very high	97.2	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.007	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-74.7	-16.5	173.6	-57.9	0	0	0	0	112.9	P43 V44 F166 F167	P43-C46 VanDerWaalsContact O-CB 3.28Å; P43-C46 WeakPolarHBondContact O-CB 3.49Å; P43-C46 PolarHBondContact O-N 2.87Å; P43-C46 PolarHBondContact O-SG 2.82Å; V44-C46 PolarHBondContact O-N 3.23Å; C46-F166 HydrophobicContact CB-CB 4.22Å; C46-F166 VanDerWaalsContact SG-CB 3.53Å; C46-F167 HydrophobicContact CB-CD1 3.96Å; C46-F167 HydrophobicContact CB-CD2 4.12Å; C46-F167 HydrophobicContact CB-CE1 3.67Å; C46-F167 HydrophobicContact CB-CE2 3.84Å; C46-F167 HydrophobicContact CB-CG 4.18Å; C46-F167 HydrophobicContact CB-CZ 3.6Å; C46-F167 WeakPolarHBondContact O-CE2 3.14Å
47	F	98.8	Very high	97.3	Very high	6 Å²	6	55.4 Å²	55.4	3%	0.026	32%	0.316	C	S	.	.	S	Bend	trans	-110.2	144.7	-166.1	-60.4	-92.3	0	0	0	112.3	A42 P43 V44 H45 Q49 F167 L173 I219 F220 P221	A42-F47 HydrophobicContact CB-CE2 3.69Å; A42-F47 HydrophobicContact CB-CZ 3.69Å; P43-F47 WeakPolarHBondContact O-CD2 3.28Å; V44-F47 PolarHBondContact O-N 2.87Å; H45-F47 VanDerWaalsContact C-N 3.26Å; F47-Q49 HydrophobicContact CB-CB 4.19Å; F47-Q49 HydrophobicContact CB-CG 3.94Å; F47-Q49 PolarHBondContact O-N 2.82Å; F47-F167 HydrophobicContact CD1-CE1 4.39Å; F47-F167 AromaticContact CD1-CZ 3.77Å; F47-F167 HydrophobicContact CD1-CZ 3.77Å; F47-F167 HydrophobicContact CD2-CZ 4.4Å; F47-F167 AromaticContact CE1-CE1 3.79Å; F47-F167 HydrophobicContact CE1-CE1 3.79Å; F47-F167 AromaticContact CE1-CZ 3.58Å; F47-F167 HydrophobicContact CE1-CZ 3.58Å; F47-F167 HydrophobicContact CE2-CE1 4.08Å; F47-F167 HydrophobicContact CE2-CZ 4.24Å; F47-F167 HydrophobicContact CG-CZ 4.19Å; F47-F167 AromaticContact CZ-CE1 3.62Å; F47-F167 HydrophobicContact CZ-CE1 3.62Å; F47-F167 AromaticContact CZ-CZ 3.85Å; F47-F167 HydrophobicContact CZ-CZ 3.85Å; F47-L173 HydrophobicContact CE1-CB 4.07Å; F47-L173 HydrophobicContact CE1-CD1 4.24Å; F47-L173 HydrophobicContact CZ-CB 3.83Å; F47-I219 HydrophobicContact CD1-CB 4.31Å; F47-I219 HydrophobicContact CD1-CD1 4.42Å; F47-I219 HydrophobicContact CD1-CG1 4.11Å; F47-I219 HydrophobicContact CE1-CB 4.21Å; F47-I219 HydrophobicContact CE1-CG1 4.41Å; F47-F220 WeakPolarHBondContact CE1-O 3.27Å; F47-F220 VanDerWaalsContact CZ-C 3.48Å; F47-F220 VanDerWaalsContact CZ-O 3.3Å; F47-F220 WeakPolarHBondContact CZ-O 3.4Å; F47-P221 HydrophobicContact CD2-CB 3.98Å; F47-P221 HydrophobicContact CD2-CG 4.44Å; F47-P221 HydrophobicContact CE2-CB 3.78Å; F47-P221 HydrophobicContact CZ-CB 4.33Å
48	K	98.6	Very high	97.5	Very high	28 Å²	28	54.4 Å²	54.4	12%	0.122	31%	0.31	C	S	.	.	S	Bend	trans	-80.9	65.8	163.4	-169	-177.1	-176.4	-159.8	0	109.7	E158 P159 S161 D215 R217	K48-E158 VanDerWaalsContact CE-CD 3.41Å; K48-E158 WeakPolarHBondContact CE-OE1 3.39Å; K48-E158 WeakPolarHBondContact CE-OE2 3.39Å; K48-E158 IonicContact NZ-OE1 3.73Å; K48-E158 PolarHBondContact NZ-OE1 3.08Å; K48-E158 IonicContact NZ-OE2 2.74Å; K48-E158 PolarHBondContact NZ-OE2 3.09Å; K48-P159 VanDerWaalsContact CE-O 3.27Å; K48-P159 WeakPolarHBondContact CE-O 3.35Å; K48-P159 HydrophobicContact CG-CG 4.43Å; K48-S161 WeakPolarHBondContact CD-OG 3.48Å; K48-S161 WeakPolarHBondContact CE-OG 3.45Å; K48-D215 HydrophobicContact CB-CB 4.2Å; K48-D215 HydrophobicContact CD-CB 4.18Å; K48-D215 WeakPolarHBondContact CD-O 3.43Å; K48-R217 PolarHBondContact O-NE 3Å
49	Q	98.4	Very high	97.6	Very high	11 Å²	11	54 Å²	54	5%	0.051	29%	0.293	C	S	.	.	S	Bend	trans	-139.6	143.7	179.8	-57.5	-64.6	1.9	0	0	109.7	F47 R217 I219 F220	F47-Q49 HydrophobicContact CB-CB 4.19Å; F47-Q49 HydrophobicContact CB-CG 3.94Å; F47-Q49 PolarHBondContact O-N 2.82Å; Q49-R217 PolarHBondContact NE2-O 2.85Å; Q49-R217 VanDerWaalsContact NE2-O 3.14Å; Q49-I219 WeakPolarHBondContact CG-O 3.49Å; Q49-I219 PolarHBondContact NE2-O 3.27Å; Q49-F220 HydrophobicContact CG-CD1 3.99Å
50	S	97.2	Very high	97.7	Very high	37 Å²	37	57.4 Å²	57.4	26%	0.259	31%	0.308	S	S	.	.			trans	-68.9	132.7	177.7	-58.6	0	0	0	0	111	T52	S50-T52 VanDerWaalsContact C-N 3.3Å; S50-T52 WeakPolarHBondContact CB-O 3.45Å; S50-T52 CarbonylContact O-C 3.55Å; S50-T52 PolarHBondContact O-N 2.9Å
51	Y	95	Very high	97.6	Very high	164 Å²	164	56.3 Å²	56.3	64%	0.643	30%	0.304	S	S	*	.	S	Bend	trans	-61.9	-37.8	180	-66.2	-7.7	0	0	0	112.4	V44	V44-Y51 HydrophobicContact CB-CD1 4.28Å; V44-Y51 HydrophobicContact CB-CE1 4.13Å; V44-Y51 HydrophobicContact CG2-CD1 4.16Å; V44-Y51 HydrophobicContact CG2-CE1 3.81Å
52	T	95.6	Very high	97.6	Very high	120 Å²	120	53.9 Å²	53.9	74%	0.736	29%	0.288	S	S	*	.	S	Bend	trans	-95.5	116.2	160.1	-52.5	0	0	0	0	106.9	S50	S50-T52 VanDerWaalsContact C-N 3.3Å; S50-T52 WeakPolarHBondContact CB-O 3.45Å; S50-T52 CarbonylContact O-C 3.55Å; S50-T52 PolarHBondContact O-N 2.9Å
53	P	96.4	Very high	97.6	Very high	26 Å²	26	55 Å²	55	17%	0.169	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-60.8	147.6	178.7	-26	35.9	0	0	0	112.3	L227 T228	P53-L227 HydrophobicContact CG-CD2 3.69Å; P53-L227 HydrophobicContact CG-CG 3.96Å; P53-T228 HydrophobicContact CB-CG2 3.39Å; P53-T228 HydrophobicContact CG-CG2 3.63Å
54	P	95.9	Very high	97.6	Very high	20 Å²	20	52.7 Å²	52.7	13%	0.13	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-69.9	145	178.3	30.1	-35.5	0	0	0	111.8	A86 V105 D106 H156	P54-A86 HydrophobicContact CG-CB 4.21Å; P54-V105 HydrophobicContact CB-CG2 3.68Å; P54-V105 HydrophobicContact CG-CG2 3.53Å; P54-D106 HydrophobicContact CG-CB 4.14Å; P54-H156 HydrophobicContact CB-CB 3.99Å
55	S	96.8	Very high	97.7	Very high	63 Å²	63	49.2 Å²	49.2	44%	0.441	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-65.3	141.2	174	41	0	0	0	0	111.9	H156	S55-H156 PolarHBondContact O-NE2 2.89Å; S55-H156 VanDerWaalsContact O-NE2 3.09Å; S55-H156 PolarHBondContact OG-CE1 3.05Å; S55-H156 PolarHBondContact OG-NE2 2.81Å
56	N	97.9	Very high	97.7	Very high	46 Å²	46	45.3 Å²	45.3	25%	0.246	24%	0.238	C	C	.	.			trans	-104.7	93	176.9	-165.4	-7.4	0	0	0	111.1	F58 G85 L88 V105	N56-F58 PolarHBondContact OD1-N 3.03Å; N56-G85 PolarHBondContact ND2-O 2.89Å; N56-L88 WeakPolarHBondContact OD1-CD2 3.39Å; N56-V105 HydrophobicContact CB-CG1 4.28Å; N56-V105 WeakPolarHBondContact OD1-CG1 3.32Å
57	E	98.1	Very high	97.7	Very high	98 Å²	98	48 Å²	48	46%	0.458	25%	0.25	S	S	.	.			trans	-93.1	3	178	-70.4	-179.7	-112.7	0	0	113.7	I154	E57-I154 HydrophobicContact CB-CB 3.95Å; E57-I154 HydrophobicContact CB-CD1 4.42Å; E57-I154 HydrophobicContact CB-CG2 3.52Å; E57-I154 HydrophobicContact CG-CG2 4.26Å
58	F	98.6	Very high	97.6	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.026	25%	0.249	C	C	.	.			trans	-71.6	150.7	179.1	-72.6	-100.1	0	0	0	111.5	N56 M62 L64 V80 L83 L88 V105 A150 I154 F155	N56-F58 PolarHBondContact OD1-N 3.03Å; F58-M62 HydrophobicContact CD1-SD 4.38Å; F58-L64 HydrophobicContact CD1-CD2 4.21Å; F58-L64 HydrophobicContact CE1-CD2 3.69Å; F58-V80 HydrophobicContact CD1-CG2 4.17Å; F58-L83 HydrophobicContact CB-CD2 4.12Å; F58-L83 VanDerWaalsContact O-CD1 3.29Å; F58-L83 WeakPolarHBondContact O-CD1 3.29Å; F58-L88 HydrophobicContact CB-CD1 4.48Å; F58-L88 HydrophobicContact CB-CD2 3.53Å; F58-L88 HydrophobicContact CD1-CD1 3.73Å; F58-L88 HydrophobicContact CD1-CD2 4.35Å; F58-L88 HydrophobicContact CD2-CD1 3.87Å; F58-L88 HydrophobicContact CD2-CD2 3.77Å; F58-L88 HydrophobicContact CD2-CG 4.37Å; F58-L88 HydrophobicContact CE1-CD1 3.8Å; F58-L88 HydrophobicContact CE2-CD1 3.94Å; F58-L88 HydrophobicContact CG-CD1 3.77Å; F58-L88 HydrophobicContact CG-CD2 3.64Å; F58-L88 HydrophobicContact CG-CG 4.35Å; F58-L88 HydrophobicContact CZ-CD1 3.91Å; F58-V105 HydrophobicContact CD2-CB 4.33Å; F58-V105 HydrophobicContact CD2-CG1 3.58Å; F58-V105 HydrophobicContact CE2-CB 3.95Å; F58-V105 HydrophobicContact CE2-CG1 3.68Å; F58-A150 HydrophobicContact CD1-CB 3.99Å; F58-A150 HydrophobicContact CE1-CB 3.62Å; F58-I154 HydrophobicContact CB-CD1 4.21Å; F58-I154 HydrophobicContact CD1-CD1 3.65Å; F58-I154 HydrophobicContact CD1-CG1 4.4Å; F58-I154 HydrophobicContact CD2-CD1 3.7Å; F58-I154 HydrophobicContact CD2-CG1 4.16Å; F58-I154 HydrophobicContact CE1-CD1 3.87Å; F58-I154 HydrophobicContact CE1-CG1 4.12Å; F58-I154 HydrophobicContact CE2-CB 4.38Å; F58-I154 HydrophobicContact CE2-CD1 3.91Å; F58-I154 HydrophobicContact CE2-CG1 3.87Å; F58-I154 WeakPolarHBondContact CE2-O 3.32Å; F58-I154 HydrophobicContact CG-CD1 3.57Å; F58-I154 HydrophobicContact CG-CG1 4.42Å; F58-I154 HydrophobicContact CZ-CD1 3.99Å; F58-I154 HydrophobicContact CZ-CG1 3.84Å; F58-F155 HydrophobicContact CE1-CE1 4.08Å; F58-F155 HydrophobicContact CE1-CE2 4.08Å; F58-F155 AromaticContact CE1-CZ 3.77Å; F58-F155 HydrophobicContact CE1-CZ 3.77Å; F58-F155 AromaticContact CZ-CD1 3.99Å; F58-F155 HydrophobicContact CZ-CD1 3.99Å; F58-F155 HydrophobicContact CZ-CD2 4.17Å; F58-F155 AromaticContact CZ-CE1 3.85Å; F58-F155 HydrophobicContact CZ-CE1 3.85Å; F58-F155 HydrophobicContact CZ-CE2 4.03Å; F58-F155 HydrophobicContact CZ-CG 4.15Å; F58-F155 AromaticContact CZ-CZ 3.87Å; F58-F155 HydrophobicContact CZ-CZ 3.87Å
59	K	98.1	Very high	97.4	Very high	119 Å²	119	49 Å²	49	52%	0.517	26%	0.26	S	S	.	.			trans	-115.7	153.6	172.6	-57.9	-179.9	-166.9	161.9	0	111	M62 V80 E148	K59-M62 HydrophobicContact CB-CE 4.08Å; K59-M62 HydrophobicContact CB-CG 4.11Å; K59-M62 HydrophobicContact CB-SD 4.13Å; K59-M62 HydrophobicContact CD-CE 4.05Å; K59-M62 HydrophobicContact CG-CE 3.91Å; K59-M62 HydrophobicContact CG-SD 4.47Å; K59-M62 PolarHBondContact N-SD 2.85Å; K59-M62 WeakPolarHBondContact O-CB 3.45Å; K59-M62 PolarHBondContact O-N 2.85Å; K59-V80 WeakPolarHBondContact O-CB 3.42Å; K59-V80 WeakPolarHBondContact O-CG1 3.27Å; K59-E148 IonicContact NZ-OE1 3.55Å
60	I	97.7	Very high	97.2	Very high	103 Å²	103	52.3 Å²	52.3	53%	0.528	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	145.1	167.2	-62.9	175.6	0	0	0	109	M62 V80 L83	I60-M62 VanDerWaalsContact C-N 3.29Å; I60-M62 PolarHBondContact O-N 3.17Å; I60-V80 WeakPolarHBondContact CA-O 3.44Å; I60-L83 HydrophobicContact CG1-CD1 4.49Å; I60-L83 HydrophobicContact CG1-CG 4.41Å
61	S	96.6	Very high	97.1	Very high	67 Å²	67	53.2 Å²	53.2	47%	0.469	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	-12.5	-171	81.3	0	0	0	0	117.2	K63 V80	S61-K63 PolarHBondContact O-N 2.66Å; S61-V80 PolarHBondContact N-O 2.71Å
62	M	98.6	Very high	97	Very high	8 Å²	8	49.6 Å²	49.6	4%	0.039	27%	0.269	C	S	.	.			trans	-58.7	137.8	171.3	-76.6	-176.2	169.4	0	0	111.6	F58 K59 I60 T79 V80 E148 A150 I154	F58-M62 HydrophobicContact CD1-SD 4.38Å; K59-M62 HydrophobicContact CB-CE 4.08Å; K59-M62 HydrophobicContact CB-CG 4.11Å; K59-M62 HydrophobicContact CB-SD 4.13Å; K59-M62 HydrophobicContact CD-CE 4.05Å; K59-M62 HydrophobicContact CG-CE 3.91Å; K59-M62 HydrophobicContact CG-SD 4.47Å; K59-M62 PolarHBondContact N-SD 2.85Å; K59-M62 WeakPolarHBondContact O-CB 3.45Å; K59-M62 PolarHBondContact O-N 2.85Å; I60-M62 VanDerWaalsContact C-N 3.29Å; I60-M62 PolarHBondContact O-N 3.17Å; M62-T79 WeakPolarHBondContact O-CA 3.45Å; M62-V80 HydrophobicContact CB-CG2 4.3Å; M62-V80 PolarHBondContact O-N 3.32Å; M62-E148 CarbonylContact C-O 3.56Å; M62-E148 VanDerWaalsContact CA-O 3.31Å; M62-E148 WeakPolarHBondContact CA-O 3.49Å; M62-E148 HydrophobicContact CE-CG 4.41Å; M62-E148 WeakPolarHBondContact CE-OE1 3.49Å; M62-E148 HydrophobicContact CG-CG 4.04Å; M62-A150 HydrophobicContact CB-CB 4.28Å; M62-A150 HydrophobicContact SD-CB 4.25Å; M62-I154 HydrophobicContact SD-CD1 4.02Å
63	K	98.7	Very high	96.9	Very high	27 Å²	27	49.4 Å²	49.4	12%	0.117	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	143.6	174.8	-59.2	-166.9	-174.1	-69.3	0	112.3	S61 I77 A78 T79 D93 I113 T143 L144 A147 E148 A150	S61-K63 PolarHBondContact O-N 2.66Å; K63-I77 HydrophobicContact CB-CG2 4.39Å; K63-I77 HydrophobicContact CD-CG2 4.15Å; K63-A78 CarbonylContact C-O 3.5Å; K63-A78 WeakPolarHBondContact CA-O 3.33Å; K63-T79 PolarHBondContact NZ-OG1 2.88Å; K63-D93 IonicContact NZ-OD1 2.83Å; K63-D93 PolarHBondContact NZ-OD1 3.02Å; K63-D93 IonicContact NZ-OD2 3.62Å; K63-I113 HydrophobicContact CB-CD1 3.65Å; K63-I113 WeakPolarHBondContact O-CD1 3.46Å; K63-T143 HydrophobicContact CD-CG2 4.06Å; K63-T143 WeakPolarHBondContact CE-O 3.41Å; K63-L144 HydrophobicContact CD-CD2 4.38Å; K63-A147 HydrophobicContact CD-CB 3.71Å; K63-A147 HydrophobicContact CG-CB 4.29Å; K63-E148 PolarHBondContact N-O 3.33Å; K63-A150 WeakPolarHBondContact O-CB 3.38Å; K63-A150 PolarHBondContact O-N 2.92Å
64	L	98.8	Very high	96.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	170.7	179.1	57.2	79.3	0	0	0	110.9	F58 A66 A78 V80 L88 L90 I110 A150 F155	F58-L64 HydrophobicContact CD1-CD2 4.21Å; F58-L64 HydrophobicContact CE1-CD2 3.69Å; L64-A66 HydrophobicContact CD1-CB 3.94Å; L64-A78 HydrophobicContact CD1-CB 3.95Å; L64-A78 PolarHBondContact N-O 3.1Å; L64-A78 PolarHBondContact O-N 2.81Å; L64-V80 HydrophobicContact CD2-CG2 4.11Å; L64-L88 HydrophobicContact CD2-CD1 3.94Å; L64-L90 HydrophobicContact CD1-CD1 4.22Å; L64-L90 HydrophobicContact CD1-CD2 4.24Å; L64-L90 HydrophobicContact CD2-CD2 3.99Å; L64-L90 HydrophobicContact CG-CD2 4.38Å; L64-I110 HydrophobicContact CD1-CB 4.24Å; L64-I110 HydrophobicContact CD1-CG2 4.13Å; L64-A150 HydrophobicContact CB-CB 4.32Å; L64-F155 HydrophobicContact CB-CE1 4.16Å; L64-F155 HydrophobicContact CB-CZ 3.74Å; L64-F155 HydrophobicContact CD2-CE1 4.29Å; L64-F155 HydrophobicContact CD2-CZ 4.31Å
65	E	98.8	Very high	97	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.009	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.4	168.2	-70	175.9	-172.5	0	0	109.9	T75 C76 I77 I110 Q111 I113 G114 N115 C116 L123	E65-T75 HydrophobicContact CB-CG2 3.92Å; E65-T75 HydrophobicContact CG-CG2 4.42Å; E65-C76 WeakPolarHBondContact CA-O 3.37Å; E65-I77 HydrophobicContact CG-CD1 4.23Å; E65-I110 CarbonylContact O-C 3.46Å; E65-I110 WeakPolarHBondContact O-CA 3.45Å; E65-Q111 HydrophobicContact CB-CB 4.23Å; E65-Q111 PolarHBondContact N-O 3.13Å; E65-Q111 PolarHBondContact O-N 3.18Å; E65-I113 HydrophobicContact CG-CG1 4.19Å; E65-I113 WeakPolarHBondContact OE1-CA 3.48Å; E65-G114 PolarHBondContact OE1-N 2.85Å; E65-N115 PolarHBondContact OE1-N 3.24Å; E65-C116 VanDerWaalsContact OE2-CB 3.23Å; E65-C116 WeakPolarHBondContact OE2-CB 3.4Å; E65-C116 PolarHBondContact OE2-N 3.2Å; E65-L123 HydrophobicContact CG-CD2 3.86Å
66	A	98.7	Very high	97.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149.9	176.1	0	0	0	0	0	111.5	L64 C76 A78 F101 E109 I110	L64-A66 HydrophobicContact CD1-CB 3.94Å; A66-C76 PolarHBondContact N-O 2.71Å; A66-C76 PolarHBondContact O-N 3.15Å; A66-A78 HydrophobicContact CB-CB 4.01Å; A66-F101 HydrophobicContact CB-CE2 4.29Å; A66-F101 HydrophobicContact CB-CZ 3.94Å; A66-E109 WeakPolarHBondContact CA-O 3.48Å; A66-I110 HydrophobicContact CB-CG2 4.09Å
67	Q	98.3	Very high	97.1	Very high	58 Å²	58	44.1 Å²	44.1	27%	0.271	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.2	167.4	-64	179.1	9.2	0	0	110.2	P69 S74 E109	Q67-P69 VanDerWaalsContact O-CD 3.32Å; Q67-P69 WeakPolarHBondContact O-CD 3.15Å; Q67-S74 WeakPolarHBondContact CA-O 3.3Å; Q67-E109 PolarHBondContact N-O 3.41Å; Q67-E109 VanDerWaalsContact N-O 3.14Å
68	D	97.8	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	120.6	174.5	-171.9	-30.9	0	0	0	109.8	R70 N71 T72 S74 L92 L127	D68-R70 VanDerWaalsContact CG-NH2 3.32Å; D68-R70 PolarHBondContact O-N 3.02Å; D68-R70 WeakPolarHBondContact OD1-CB 3.45Å; D68-R70 IonicContact OD1-CZ 3.79Å; D68-R70 PolarHBondContact OD1-N 3.04Å; D68-R70 IonicContact OD1-NE 3.86Å; D68-R70 PolarHBondContact OD1-NE 3.3Å; D68-R70 IonicContact OD1-NH2 2.74Å; D68-R70 PolarHBondContact OD1-NH2 2.66Å; D68-R70 VanDerWaalsContact OD1-NH2 3.13Å; D68-R70 IonicContact OD2-CZ 3.35Å; D68-R70 IonicContact OD2-NE 2.84Å; D68-R70 IonicContact OD2-NH2 3.01Å; D68-R70 PolarHBondContact OD2-NH2 3.35Å; D68-N71 CarbonylContact O-C 3.46Å; D68-N71 PolarHBondContact O-N 2.89Å; D68-T72 WeakPolarHBondContact O-CA 3.39Å; D68-T72 PolarHBondContact O-N 3.38Å; D68-T72 VanDerWaalsContact O-N 3.15Å; D68-S74 PolarHBondContact N-O 2.69Å; D68-L92 HydrophobicContact CB-CD1 3.69Å; D68-L92 WeakPolarHBondContact OD2-CD1 3.35Å; D68-L127 PolarHBondContact OD2-N 3.26Å
69	P	94.6	Very high	97.2	Very high	53 Å²	53	40.1 Å²	40.1	34%	0.344	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.7	-180	-23.5	33.8	0	0	0	114.8	Q67 F101	Q67-P69 VanDerWaalsContact O-CD 3.32Å; Q67-P69 WeakPolarHBondContact O-CD 3.15Å; P69-F101 HydrophobicContact CG-CB 3.8Å; P69-F101 HydrophobicContact CG-CD1 3.85Å; P69-F101 HydrophobicContact CG-CD2 3.55Å; P69-F101 HydrophobicContact CG-CE1 4.3Å; P69-F101 HydrophobicContact CG-CE2 4Å; P69-F101 HydrophobicContact CG-CG 3.47Å; P69-F101 VanDerWaalsContact CG-CG 3.47Å; P69-F101 HydrophobicContact CG-CZ 4.36Å
70	R	93.9	Very high	97.2	Very high	81 Å²	81	34.4 Å²	34.4	31%	0.306	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-9.1	179.3	-53.1	151.4	-58.5	150.7	13.5	112.5	D68 N99 L127	D68-R70 VanDerWaalsContact CG-NH2 3.32Å; D68-R70 PolarHBondContact O-N 3.02Å; D68-R70 WeakPolarHBondContact OD1-CB 3.45Å; D68-R70 IonicContact OD1-CZ 3.79Å; D68-R70 PolarHBondContact OD1-N 3.04Å; D68-R70 IonicContact OD1-NE 3.86Å; D68-R70 PolarHBondContact OD1-NE 3.3Å; D68-R70 IonicContact OD1-NH2 2.74Å; D68-R70 PolarHBondContact OD1-NH2 2.66Å; D68-R70 VanDerWaalsContact OD1-NH2 3.13Å; D68-R70 IonicContact OD2-CZ 3.35Å; D68-R70 IonicContact OD2-NE 2.84Å; D68-R70 IonicContact OD2-NH2 3.01Å; D68-R70 PolarHBondContact OD2-NH2 3.35Å; R70-N99 WeakPolarHBondContact CD-OD1 3.3Å; R70-L127 HydrophobicContact CB-CB 4.46Å; R70-L127 HydrophobicContact CB-CD2 3.67Å; R70-L127 PolarHBondContact NH1-O 2.87Å; R70-L127 PolarHBondContact NH2-O 3.42Å
71	N	94.2	Very high	97.2	Very high	57 Å²	57	31.4 Å²	31.4	31%	0.305	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	88.7	163.6	179.6	26.6	0	0	0	109.7	D68 T73 S74	D68-N71 CarbonylContact O-C 3.46Å; D68-N71 PolarHBondContact O-N 2.89Å; N71-T73 VanDerWaalsContact CG-OG1 3.28Å; N71-T73 PolarHBondContact ND2-OG1 2.92Å; N71-T73 VanDerWaalsContact ND2-OG1 3.07Å; N71-T73 PolarHBondContact O-N 3.04Å; N71-T73 PolarHBondContact OD1-N 2.89Å; N71-T73 PolarHBondContact OD1-OG1 3.13Å; N71-S74 PolarHBondContact ND2-OG 2.81Å; N71-S74 WeakPolarHBondContact O-CB 3.29Å; N71-S74 PolarHBondContact O-N 2.86Å
72	T	93.2	Very high	97.2	Very high	88 Å²	88	28.7 Å²	28.7	54%	0.54	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-6.9	-175.5	51.1	0	0	0	0	114.2	D68	D68-T72 WeakPolarHBondContact O-CA 3.39Å; D68-T72 PolarHBondContact O-N 3.38Å; D68-T72 VanDerWaalsContact O-N 3.15Å
73	T	93.7	Very high	97.1	Very high	116 Å²	116	31.7 Å²	31.7	71%	0.712	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	-17.2	169.3	68.6	0	0	0	0	113.7	N71	N71-T73 VanDerWaalsContact CG-OG1 3.28Å; N71-T73 PolarHBondContact ND2-OG1 2.92Å; N71-T73 VanDerWaalsContact ND2-OG1 3.07Å; N71-T73 PolarHBondContact O-N 3.04Å; N71-T73 PolarHBondContact OD1-N 2.89Å; N71-T73 PolarHBondContact OD1-OG1 3.13Å
74	S	96	Very high	96.9	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.084	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.2	177.6	-75.6	0	0	0	0	111.3	Q67 D68 N71 Q124	Q67-S74 WeakPolarHBondContact CA-O 3.3Å; D68-S74 PolarHBondContact N-O 2.69Å; N71-S74 PolarHBondContact ND2-OG 2.81Å; N71-S74 WeakPolarHBondContact O-CB 3.29Å; N71-S74 PolarHBondContact O-N 2.86Å; S74-Q124 WeakPolarHBondContact OG-CB 3.19Å
75	T	98.3	Very high	96.7	Very high	30 Å²	30	31.9 Å²	31.9	18%	0.184	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.5	158.6	-50	0	0	0	0	109.1	E65 C116 L123 Q124	E65-T75 HydrophobicContact CB-CG2 3.92Å; E65-T75 HydrophobicContact CG-CG2 4.42Å; T75-C116 HydrophobicContact CG2-CB 4.17Å; T75-L123 HydrophobicContact CG2-CD2 3.82Å; T75-L123 WeakPolarHBondContact O-CA 3.4Å; T75-Q124 PolarHBondContact O-N 2.98Å
76	C	98.5	Very high	96.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158.1	-174.8	-63.8	0	0	0	0	110.2	E65 A66 L92 Q124	E65-C76 WeakPolarHBondContact CA-O 3.37Å; A66-C76 PolarHBondContact N-O 2.71Å; A66-C76 PolarHBondContact O-N 3.15Å; C76-L92 HydrophobicContact CB-CD1 4.36Å; C76-L92 HydrophobicContact CB-CD2 4.01Å; C76-Q124 PolarHBondContact SG-O 3.06Å
77	I	98.6	Very high	96.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134.6	163.5	-62.4	-58.4	0	0	0	109.1	K63 E65 L92 D93 I113 L123 L140 T143 L144	K63-I77 HydrophobicContact CB-CG2 4.39Å; K63-I77 HydrophobicContact CD-CG2 4.15Å; E65-I77 HydrophobicContact CG-CD1 4.23Å; I77-L92 WeakPolarHBondContact O-CA 3.11Å; I77-D93 HydrophobicContact CB-CB 4.33Å; I77-D93 HydrophobicContact CG2-CB 4.05Å; I77-D93 PolarHBondContact O-N 3.18Å; I77-I113 HydrophobicContact CD1-CD1 4.18Å; I77-I113 HydrophobicContact CD1-CG1 3.96Å; I77-L123 HydrophobicContact CD1-CD1 3.64Å; I77-L123 HydrophobicContact CG1-CD1 4.08Å; I77-L140 HydrophobicContact CD1-CD1 4.34Å; I77-L140 HydrophobicContact CG1-CD1 3.48Å; I77-L140 VanDerWaalsContact CG1-CD1 3.48Å; I77-T143 HydrophobicContact CG2-CG2 4.32Å; I77-L144 HydrophobicContact CD1-CD2 4.04Å; I77-L144 HydrophobicContact CG1-CD2 4.25Å; I77-L144 HydrophobicContact CG2-CD2 4.39Å
78	A	98.8	Very high	96.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.4	172.3	0	0	0	0	0	111.6	K63 L64 A66 L90 R91 L92	K63-A78 CarbonylContact C-O 3.5Å; K63-A78 WeakPolarHBondContact CA-O 3.33Å; L64-A78 HydrophobicContact CD1-CB 3.95Å; L64-A78 PolarHBondContact N-O 3.1Å; L64-A78 PolarHBondContact O-N 2.81Å; A66-A78 HydrophobicContact CB-CB 4.01Å; A78-L90 HydrophobicContact CB-CB 4.43Å; A78-R91 CarbonylContact C-O 3.59Å; A78-R91 VanDerWaalsContact CA-O 3.25Å; A78-R91 WeakPolarHBondContact CA-O 3.17Å; A78-L92 HydrophobicContact CB-CD2 3.78Å
79	T	98.8	Very high	96.7	Very high	20 Å²	20	33 Å²	33	12%	0.123	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.7	173.6	-63.9	0	0	0	0	110.3	M62 K63 V81 R91 D93	M62-T79 WeakPolarHBondContact O-CA 3.45Å; K63-T79 PolarHBondContact NZ-OG1 2.88Å; T79-V81 HydrophobicContact CG2-CG1 4.28Å; T79-V81 PolarHBondContact O-N 2.84Å; T79-R91 PolarHBondContact N-O 3.02Å; T79-R91 PolarHBondContact O-N 3.12Å; T79-R91 VanDerWaalsContact O-N 3.09Å; T79-D93 WeakPolarHBondContact CB-OD2 3.33Å; T79-D93 PolarHBondContact N-OD2 3.48Å; T79-D93 VanDerWaalsContact N-OD2 3.17Å; T79-D93 PolarHBondContact OG1-OD1 2.87Å; T79-D93 PolarHBondContact OG1-OD2 3.23Å
80	V	98.8	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	112.3	168.6	-179.5	0	0	0	0	109.1	F58 K59 I60 S61 M62 L64 L83 L88 L90	F58-V80 HydrophobicContact CD1-CG2 4.17Å; K59-V80 WeakPolarHBondContact O-CB 3.42Å; K59-V80 WeakPolarHBondContact O-CG1 3.27Å; I60-V80 WeakPolarHBondContact CA-O 3.44Å; S61-V80 PolarHBondContact N-O 2.71Å; M62-V80 HydrophobicContact CB-CG2 4.3Å; M62-V80 PolarHBondContact O-N 3.32Å; L64-V80 HydrophobicContact CD2-CG2 4.11Å; V80-L83 HydrophobicContact CG1-CD2 3.77Å; V80-L83 HydrophobicContact CG1-CG 4.37Å; V80-L88 HydrophobicContact CG2-CD1 4.42Å; V80-L90 HydrophobicContact CG2-CD2 3.88Å
81	V	98.2	Very high	97.1	Very high	39 Å²	39	30.1 Å²	30.1	24%	0.236	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	6.2	-179	-61.5	0	0	0	0	113.1	T79 R89 R91	T79-V81 HydrophobicContact CG2-CG1 4.28Å; T79-V81 PolarHBondContact O-N 2.84Å; V81-R89 HydrophobicContact CG2-CB 4.22Å; V81-R89 HydrophobicContact CG2-CG 3.76Å; V81-R89 WeakPolarHBondContact CG2-O 3.25Å; V81-R89 PolarHBondContact N-O 3.42Å; V81-R91 HydrophobicContact CG1-CB 3.9Å; V81-R91 HydrophobicContact CG2-CB 4.16Å
82	G	96.7	Very high	97.3	Very high	11 Å²	11	27.6 Å²	27.6	11%	0.113	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	165.9	177.1	0	0	0	0	0	112.1	R89	G82-R89 PolarHBondContact O-N 3.45Å
83	L	96.3	Very high	97.6	Very high	71 Å²	71	24.5 Å²	24.5	37%	0.372	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.2	-177.1	-58.9	168.7	0	0	0	108.9	F58 I60 V80 L88	F58-L83 HydrophobicContact CB-CD2 4.12Å; F58-L83 VanDerWaalsContact O-CD1 3.29Å; F58-L83 WeakPolarHBondContact O-CD1 3.29Å; I60-L83 HydrophobicContact CG1-CD1 4.49Å; I60-L83 HydrophobicContact CG1-CG 4.41Å; V80-L83 HydrophobicContact CG1-CD2 3.77Å; V80-L83 HydrophobicContact CG1-CG 4.37Å; L83-L88 HydrophobicContact CD2-CD2 3.43Å; L83-L88 VanDerWaalsContact CD2-CD2 3.43Å
84	T	94.4	Very high	97.6	Very high	15 Å²	15	19.9 Å²	19.9	9%	0.092	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	129.5	167.1	-162.9	0	0	0	0	108.6	A86 R87 W102 D230	T84-A86 PolarHBondContact O-N 3.38Å; T84-R87 HydrophobicContact CG2-CB 4.3Å; T84-R87 PolarHBondContact N-O 3.09Å; T84-R87 WeakPolarHBondContact O-CA 3.22Å; T84-R87 WeakPolarHBondContact O-CB 3.37Å; T84-R87 PolarHBondContact O-N 3.23Å; T84-W102 HydrophobicContact CG2-CE3 4.01Å; T84-W102 HydrophobicContact CG2-CH2 3.59Å; T84-W102 HydrophobicContact CG2-CZ3 3.32Å; T84-D230 WeakPolarHBondContact CG2-OD1 3.42Å
85	G	95.4	Very high	97.7	Very high	16 Å²	16	19.8 Å²	19.8	17%	0.165	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.1	-130.8	-167.4	0	0	0	0	0	113.8	N56 R87 T228 G229	N56-G85 PolarHBondContact ND2-O 2.89Å; G85-R87 VanDerWaalsContact C-N 3.28Å; G85-R87 PolarHBondContact O-N 3.21Å; G85-T228 WeakPolarHBondContact CA-O 3.46Å; G85-G229 PolarHBondContact N-O 3.26Å; G85-G229 VanDerWaalsContact N-O 3.11Å
86	A	97.4	Very high	97.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.008	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	17.3	174.1	0	0	0	0	0	114.4	P54 T84 L104 V105 W224 T228	P54-A86 HydrophobicContact CG-CB 4.21Å; T84-A86 PolarHBondContact O-N 3.38Å; A86-L104 HydrophobicContact CB-CD2 4.36Å; A86-L104 WeakPolarHBondContact O-CA 3.47Å; A86-V105 HydrophobicContact CB-CG2 4.33Å; A86-V105 PolarHBondContact O-N 2.99Å; A86-W224 HydrophobicContact CB-CH2 3.84Å; A86-W224 HydrophobicContact CB-CZ2 4.02Å; A86-T228 HydrophobicContact CB-CG2 4.41Å
87	R	98	Very high	97.3	Very high	6 Å²	6	24.7 Å²	24.7	2%	0.023	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.6	179.1	-61.6	-171.5	-63.2	147.8	-0.2	113	T84 G85 W102 R103 L104 P181 H182 D230	T84-R87 HydrophobicContact CG2-CB 4.3Å; T84-R87 PolarHBondContact N-O 3.09Å; T84-R87 WeakPolarHBondContact O-CA 3.22Å; T84-R87 WeakPolarHBondContact O-CB 3.37Å; T84-R87 PolarHBondContact O-N 3.23Å; G85-R87 VanDerWaalsContact C-N 3.28Å; G85-R87 PolarHBondContact O-N 3.21Å; R87-W102 HydrophobicContact CB-CE3 3.91Å; R87-W102 HydrophobicContact CB-CZ3 4.44Å; R87-R103 CarbonylContact C-O 3.59Å; R87-R103 WeakPolarHBondContact CA-O 3.24Å; R87-L104 HydrophobicContact CG-CD2 3.58Å; R87-L104 HydrophobicContact CG-CG 4.16Å; R87-P181 PolarHBondContact NH1-O 2.88Å; R87-H182 PolarHBondContact NH2-O 3.05Å; R87-D230 IonicContact CZ-OD1 3.12Å; R87-D230 IonicContact CZ-OD2 2.71Å; R87-D230 IonicContact NE-OD1 3.97Å; R87-D230 IonicContact NE-OD2 3.02Å; R87-D230 PolarHBondContact NE-OD2 3.4Å; R87-D230 IonicContact NH2-OD1 3.89Å; R87-D230 PolarHBondContact NH2-OD1 2.74Å; R87-D230 IonicContact NH2-OD2 2.71Å; R87-D230 PolarHBondContact NH2-OD2 3.11Å
88	L	98.5	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.2	172.8	-49.7	-177.4	0	0	0	109.6	N56 F58 L64 V80 L83 L90 W102 R103 V105 I110	N56-L88 WeakPolarHBondContact OD1-CD2 3.39Å; F58-L88 HydrophobicContact CB-CD1 4.48Å; F58-L88 HydrophobicContact CB-CD2 3.53Å; F58-L88 HydrophobicContact CD1-CD1 3.73Å; F58-L88 HydrophobicContact CD1-CD2 4.35Å; F58-L88 HydrophobicContact CD2-CD1 3.87Å; F58-L88 HydrophobicContact CD2-CD2 3.77Å; F58-L88 HydrophobicContact CD2-CG 4.37Å; F58-L88 HydrophobicContact CE1-CD1 3.8Å; F58-L88 HydrophobicContact CE2-CD1 3.94Å; F58-L88 HydrophobicContact CG-CD1 3.77Å; F58-L88 HydrophobicContact CG-CD2 3.64Å; F58-L88 HydrophobicContact CG-CG 4.35Å; F58-L88 HydrophobicContact CZ-CD1 3.91Å; L64-L88 HydrophobicContact CD2-CD1 3.94Å; V80-L88 HydrophobicContact CG2-CD1 4.42Å; L83-L88 HydrophobicContact CD2-CD2 3.43Å; L83-L88 VanDerWaalsContact CD2-CD2 3.43Å; L88-L90 HydrophobicContact CB-CD2 3.87Å; L88-L90 HydrophobicContact CB-CG 4.12Å; L88-L90 HydrophobicContact CD1-CD2 4.36Å; L88-W102 VanDerWaalsContact C-CE3 3.41Å; L88-W102 VanDerWaalsContact O-CA 3.27Å; L88-W102 WeakPolarHBondContact O-CA 3.1Å; L88-R103 PolarHBondContact N-O 3.07Å; L88-R103 PolarHBondContact O-N 2.72Å; L88-R103 VanDerWaalsContact O-N 3.08Å; L88-V105 HydrophobicContact CD1-CG1 4.35Å; L88-V105 HydrophobicContact CD2-CG1 3.79Å; L88-V105 HydrophobicContact CG-CG1 3.97Å; L88-I110 HydrophobicContact CD1-CD1 3.82Å
89	R	98.4	Very high	96.7	Very high	75 Å²	75	36 Å²	36	28%	0.283	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121	164.1	-170	-176.5	167.9	150.8	-1.5	108.2	V81 G82 D100 F101 W102	V81-R89 HydrophobicContact CG2-CB 4.22Å; V81-R89 HydrophobicContact CG2-CG 3.76Å; V81-R89 WeakPolarHBondContact CG2-O 3.25Å; V81-R89 PolarHBondContact N-O 3.42Å; G82-R89 PolarHBondContact O-N 3.45Å; R89-D100 HydrophobicContact CG-CB 4.4Å; R89-D100 IonicContact CZ-OD2 3.64Å; R89-D100 IonicContact NE-OD2 2.73Å; R89-D100 PolarHBondContact NE-OD2 3.49Å; R89-D100 IonicContact NH2-OD2 3.78Å; R89-D100 PolarHBondContact NH2-OD2 2.83Å; R89-F101 WeakPolarHBondContact CA-O 3.33Å; R89-W102 HydrophobicContact CB-CD2 3.95Å; R89-W102 HydrophobicContact CB-CE3 3.8Å; R89-W102 HydrophobicContact CB-CH2 3.66Å; R89-W102 HydrophobicContact CB-CZ2 3.78Å; R89-W102 HydrophobicContact CB-CZ3 3.63Å; R89-W102 HydrophobicContact CG-CD2 4.26Å; R89-W102 HydrophobicContact CG-CH2 4.29Å; R89-W102 HydrophobicContact CG-CZ2 3.89Å
90	L	98.7	Very high	96.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144.8	-172.8	-58.4	176.7	0	0	0	110.6	L64 A78 V80 L88 D100 F101 R103 I110	L64-L90 HydrophobicContact CD1-CD1 4.22Å; L64-L90 HydrophobicContact CD1-CD2 4.24Å; L64-L90 HydrophobicContact CD2-CD2 3.99Å; L64-L90 HydrophobicContact CG-CD2 4.38Å; A78-L90 HydrophobicContact CB-CB 4.43Å; V80-L90 HydrophobicContact CG2-CD2 3.88Å; L88-L90 HydrophobicContact CB-CD2 3.87Å; L88-L90 HydrophobicContact CB-CG 4.12Å; L88-L90 HydrophobicContact CD1-CD2 4.36Å; L90-D100 WeakPolarHBondContact O-CA 3.19Å; L90-F101 HydrophobicContact CB-CD1 4.1Å; L90-F101 HydrophobicContact CB-CD2 4.24Å; L90-F101 HydrophobicContact CB-CE1 3.67Å; L90-F101 HydrophobicContact CB-CE2 3.86Å; L90-F101 HydrophobicContact CB-CG 4.35Å; L90-F101 HydrophobicContact CB-CZ 3.55Å; L90-F101 HydrophobicContact CD1-CD2 4.37Å; L90-F101 HydrophobicContact CD1-CE2 3.67Å; L90-F101 HydrophobicContact CD1-CZ 3.94Å; L90-F101 HydrophobicContact CG-CE2 4.37Å; L90-F101 HydrophobicContact CG-CZ 4.4Å; L90-F101 PolarHBondContact N-O 2.71Å; L90-F101 WeakPolarHBondContact O-CD1 3.34Å; L90-F101 PolarHBondContact O-N 3Å; L90-R103 HydrophobicContact CD1-CB 4.03Å; L90-R103 HydrophobicContact CD1-CG 4.03Å; L90-I110 HydrophobicContact CD1-CG2 3.73Å
91	R	98.6	Very high	96.5	Very high	74 Å²	74	37 Å²	37	28%	0.279	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.7	169	-177.7	179.5	-59.3	135.1	11.4	108.5	A78 T79 V81 D96 D100	A78-R91 CarbonylContact C-O 3.59Å; A78-R91 VanDerWaalsContact CA-O 3.25Å; A78-R91 WeakPolarHBondContact CA-O 3.17Å; T79-R91 PolarHBondContact N-O 3.02Å; T79-R91 PolarHBondContact O-N 3.12Å; T79-R91 VanDerWaalsContact O-N 3.09Å; V81-R91 HydrophobicContact CG1-CB 3.9Å; V81-R91 HydrophobicContact CG2-CB 4.16Å; R91-D96 WeakPolarHBondContact CD-O 3.22Å; R91-D96 WeakPolarHBondContact CG-O 3.43Å; R91-D100 IonicContact CZ-OD1 2.76Å; R91-D100 IonicContact CZ-OD2 2.73Å; R91-D100 IonicContact NE-OD1 3.61Å; R91-D100 PolarHBondContact NE-OD1 3.39Å; R91-D100 IonicContact NE-OD2 3.01Å; R91-D100 VanDerWaalsContact NH2-CG 3.33Å; R91-D100 IonicContact NH2-OD1 2.68Å; R91-D100 PolarHBondContact NH2-OD1 3.3Å; R91-D100 VanDerWaalsContact NH2-OD1 3.11Å; R91-D100 IonicContact NH2-OD2 2.72Å; R91-D100 PolarHBondContact NH2-OD2 3.16Å
92	L	98.6	Very high	96.5	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	135.1	177.9	-53.3	-179.7	0	0	0	110.1	D68 C76 I77 A78 G94 S95 F101 P126	D68-L92 HydrophobicContact CB-CD1 3.69Å; D68-L92 WeakPolarHBondContact OD2-CD1 3.35Å; C76-L92 HydrophobicContact CB-CD1 4.36Å; C76-L92 HydrophobicContact CB-CD2 4.01Å; I77-L92 WeakPolarHBondContact O-CA 3.11Å; A78-L92 HydrophobicContact CB-CD2 3.78Å; L92-G94 PolarHBondContact O-N 3.26Å; L92-S95 PolarHBondContact O-N 3.37Å; L92-S95 VanDerWaalsContact O-N 3.16Å; L92-S95 PolarHBondContact O-OG 2.81Å; L92-F101 HydrophobicContact CD2-CE1 3.54Å; L92-F101 HydrophobicContact CD2-CZ 3.7Å; L92-F101 HydrophobicContact CG-CE1 3.87Å; L92-F101 HydrophobicContact CG-CZ 4.49Å; L92-P126 HydrophobicContact CB-CB 3.62Å; L92-P126 HydrophobicContact CB-CG 4.04Å; L92-P126 HydrophobicContact CD1-CB 3.56Å; L92-P126 HydrophobicContact CG-CB 4.21Å
93	D	98.3	Very high	96.6	Very high	22 Å²	22	38.2 Å²	38.2	12%	0.118	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	122.5	-175.7	-84.4	-106.4	0	0	0	110.7	K63 I77 T79 F139 T143	K63-D93 IonicContact NZ-OD1 2.83Å; K63-D93 PolarHBondContact NZ-OD1 3.02Å; K63-D93 IonicContact NZ-OD2 3.62Å; I77-D93 HydrophobicContact CB-CB 4.33Å; I77-D93 HydrophobicContact CG2-CB 4.05Å; I77-D93 PolarHBondContact O-N 3.18Å; T79-D93 WeakPolarHBondContact CB-OD2 3.33Å; T79-D93 PolarHBondContact N-OD2 3.48Å; T79-D93 VanDerWaalsContact N-OD2 3.17Å; T79-D93 PolarHBondContact OG1-OD1 2.87Å; T79-D93 PolarHBondContact OG1-OD2 3.23Å; D93-F139 HydrophobicContact CB-CE1 4.08Å; D93-F139 HydrophobicContact CB-CZ 4.23Å; D93-F139 WeakPolarHBondContact O-CE1 3.32Å; D93-T143 HydrophobicContact CB-CG2 3.83Å; D93-T143 VanDerWaalsContact OD1-CG2 3.29Å; D93-T143 WeakPolarHBondContact OD1-CG2 3.26Å
94	G	95.4	Very high	96.7	Very high	20 Å²	20	35.2 Å²	35.2	21%	0.206	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-1.2	-176.6	0	0	0	0	0	115.2	L92 R130 F139	L92-G94 PolarHBondContact O-N 3.26Å; G94-R130 WeakPolarHBondContact O-CB 3.42Å; G94-R130 WeakPolarHBondContact O-CG 3.27Å; G94-R130 PolarHBondContact O-N 3.14Å; G94-F139 VanDerWaalsContact CA-CZ 3.46Å
95	S	96.5	Very high	96.9	Very high	10 Å²	10	34.5 Å²	34.5	7%	0.07	17%	0.168	C	C	.	.	S	Bend	trans	-82.6	-170.7	167.7	76.9	0	0	0	0	112.2	L92 R130	L92-S95 PolarHBondContact O-N 3.37Å; L92-S95 VanDerWaalsContact O-N 3.16Å; L92-S95 PolarHBondContact O-OG 2.81Å; S95-R130 WeakPolarHBondContact O-CD 3.48Å; S95-R130 PolarHBondContact O-NE 2.95Å
96	D	94.8	Very high	97	Very high	37 Å²	37	33.8 Å²	33.8	20%	0.198	16%	0.16	C	C	.	.			trans	-83.7	-177.8	165.3	73.1	32.7	0	0	0	113.6	R91 K98 N99 R130	R91-D96 WeakPolarHBondContact CD-O 3.22Å; R91-D96 WeakPolarHBondContact CG-O 3.43Å; D96-K98 WeakPolarHBondContact OD1-CA 3.44Å; D96-K98 WeakPolarHBondContact OD1-CB 3.35Å; D96-K98 PolarHBondContact OD1-N 3.33Å; D96-N99 VanDerWaalsContact CG-ND2 3.34Å; D96-N99 PolarHBondContact OD1-N 2.81Å; D96-N99 VanDerWaalsContact OD1-N 3.11Å; D96-N99 PolarHBondContact OD1-ND2 2.73Å; D96-N99 PolarHBondContact OD2-ND2 3.36Å; D96-R130 VanDerWaalsContact CB-NH2 3.29Å
97	N	93.9	Very high	97.1	Very high	95 Å²	95	34.1 Å²	34.1	51%	0.508	16%	0.162	S	C	.	.	S	Bend	trans	-105.4	14.9	177.3	65.1	-24.5	0	0	0	113.7
98	K	91.3	Very high	97	Very high	177 Å²	177	36.7 Å²	36.7	77%	0.77	19%	0.185	S	C	*	.	S	Bend	trans	-95.4	-25.7	176.1	-58.3	176.8	-179	176	0	111.2	D96	D96-K98 WeakPolarHBondContact OD1-CA 3.44Å; D96-K98 WeakPolarHBondContact OD1-CB 3.35Å; D96-K98 PolarHBondContact OD1-N 3.33Å
99	N	93.8	Very high	97	Very high	62 Å²	62	39.7 Å²	39.7	33%	0.332	20%	0.199	S	C	.	.	S	Bend	trans	-101.6	31.5	-178.2	-62.1	-96.7	0	0	0	112.5	R70 D96	R70-N99 WeakPolarHBondContact CD-OD1 3.3Å; D96-N99 VanDerWaalsContact CG-ND2 3.34Å; D96-N99 PolarHBondContact OD1-N 2.81Å; D96-N99 VanDerWaalsContact OD1-N 3.11Å; D96-N99 PolarHBondContact OD1-ND2 2.73Å; D96-N99 PolarHBondContact OD2-ND2 3.36Å
100	D	96.6	Very high	97	Very high	27 Å²	27	36.6 Å²	36.6	14%	0.144	19%	0.188	C	C	.	.			trans	-63.3	138.4	171.6	-70.1	9.4	0	0	0	110.1	R89 L90 R91	R89-D100 HydrophobicContact CG-CB 4.4Å; R89-D100 IonicContact CZ-OD2 3.64Å; R89-D100 IonicContact NE-OD2 2.73Å; R89-D100 PolarHBondContact NE-OD2 3.49Å; R89-D100 IonicContact NH2-OD2 3.78Å; R89-D100 PolarHBondContact NH2-OD2 2.83Å; L90-D100 WeakPolarHBondContact O-CA 3.19Å; R91-D100 IonicContact CZ-OD1 2.76Å; R91-D100 IonicContact CZ-OD2 2.73Å; R91-D100 IonicContact NE-OD1 3.61Å; R91-D100 PolarHBondContact NE-OD1 3.39Å; R91-D100 IonicContact NE-OD2 3.01Å; R91-D100 VanDerWaalsContact NH2-CG 3.33Å; R91-D100 IonicContact NH2-OD1 2.68Å; R91-D100 PolarHBondContact NH2-OD1 3.3Å; R91-D100 VanDerWaalsContact NH2-OD1 3.11Å; R91-D100 IonicContact NH2-OD2 2.72Å; R91-D100 PolarHBondContact NH2-OD2 3.16Å
101	F	97.2	Very high	97	Very high	14 Å²	14	37.9 Å²	37.9	6%	0.061	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	166.2	-177.1	64.3	-76.1	0	0	0	111.6	A66 P69 R89 L90 L92 R103	A66-F101 HydrophobicContact CB-CE2 4.29Å; A66-F101 HydrophobicContact CB-CZ 3.94Å; P69-F101 HydrophobicContact CG-CB 3.8Å; P69-F101 HydrophobicContact CG-CD1 3.85Å; P69-F101 HydrophobicContact CG-CD2 3.55Å; P69-F101 HydrophobicContact CG-CE1 4.3Å; P69-F101 HydrophobicContact CG-CE2 4Å; P69-F101 HydrophobicContact CG-CG 3.47Å; P69-F101 VanDerWaalsContact CG-CG 3.47Å; P69-F101 HydrophobicContact CG-CZ 4.36Å; R89-F101 WeakPolarHBondContact CA-O 3.33Å; L90-F101 HydrophobicContact CB-CD1 4.1Å; L90-F101 HydrophobicContact CB-CD2 4.24Å; L90-F101 HydrophobicContact CB-CE1 3.67Å; L90-F101 HydrophobicContact CB-CE2 3.86Å; L90-F101 HydrophobicContact CB-CG 4.35Å; L90-F101 HydrophobicContact CB-CZ 3.55Å; L90-F101 HydrophobicContact CD1-CD2 4.37Å; L90-F101 HydrophobicContact CD1-CE2 3.67Å; L90-F101 HydrophobicContact CD1-CZ 3.94Å; L90-F101 HydrophobicContact CG-CE2 4.37Å; L90-F101 HydrophobicContact CG-CZ 4.4Å; L90-F101 PolarHBondContact N-O 2.71Å; L90-F101 WeakPolarHBondContact O-CD1 3.34Å; L90-F101 PolarHBondContact O-N 3Å; L92-F101 HydrophobicContact CD2-CE1 3.54Å; L92-F101 HydrophobicContact CD2-CZ 3.7Å; L92-F101 HydrophobicContact CG-CE1 3.87Å; L92-F101 HydrophobicContact CG-CZ 4.49Å; F101-R103 HydrophobicContact CD2-CG 4.02Å; F101-R103 HydrophobicContact CE2-CG 3.99Å
102	W	97.9	Very high	97	Very high	29 Å²	29	35.3 Å²	35.3	11%	0.11	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.2	-179.7	-66.6	85.4	0	0	0	111.5	T84 R87 L88 R89 H182	T84-W102 HydrophobicContact CG2-CE3 4.01Å; T84-W102 HydrophobicContact CG2-CH2 3.59Å; T84-W102 HydrophobicContact CG2-CZ3 3.32Å; R87-W102 HydrophobicContact CB-CE3 3.91Å; R87-W102 HydrophobicContact CB-CZ3 4.44Å; L88-W102 VanDerWaalsContact C-CE3 3.41Å; L88-W102 VanDerWaalsContact O-CA 3.27Å; L88-W102 WeakPolarHBondContact O-CA 3.1Å; R89-W102 HydrophobicContact CB-CD2 3.95Å; R89-W102 HydrophobicContact CB-CE3 3.8Å; R89-W102 HydrophobicContact CB-CH2 3.66Å; R89-W102 HydrophobicContact CB-CZ2 3.78Å; R89-W102 HydrophobicContact CB-CZ3 3.63Å; R89-W102 HydrophobicContact CG-CD2 4.26Å; R89-W102 HydrophobicContact CG-CH2 4.29Å; R89-W102 HydrophobicContact CG-CZ2 3.89Å; W102-H182 AromaticContact CH2-ND1 3.99Å; W102-H182 HydrophobicContact CZ2-CB 4.27Å; W102-H182 AromaticContact CZ2-ND1 3.38Å; W102-H182 WeakPolarHBondContact CZ2-ND1 3.39Å
103	R	98.4	Very high	96.9	Very high	47 Å²	47	36.8 Å²	36.8	18%	0.177	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	147.4	173.7	-68.4	-64.6	179.6	-96.4	12.9	110.3	R87 L88 L90 F101 E109 I110	R87-R103 CarbonylContact C-O 3.59Å; R87-R103 WeakPolarHBondContact CA-O 3.24Å; L88-R103 PolarHBondContact N-O 3.07Å; L88-R103 PolarHBondContact O-N 2.72Å; L88-R103 VanDerWaalsContact O-N 3.08Å; L90-R103 HydrophobicContact CD1-CB 4.03Å; L90-R103 HydrophobicContact CD1-CG 4.03Å; F101-R103 HydrophobicContact CD2-CG 4.02Å; F101-R103 HydrophobicContact CE2-CG 3.99Å; R103-E109 IonicContact CZ-OE2 3.85Å; R103-E109 IonicContact NE-OE2 3.7Å; R103-E109 PolarHBondContact NE-OE2 2.92Å; R103-E109 IonicContact NH2-OE2 3.11Å; R103-E109 PolarHBondContact NH2-OE2 3.47Å; R103-I110 HydrophobicContact CB-CG2 3.97Å; R103-I110 HydrophobicContact CG-CG2 3.98Å
104	L	98.5	Very high	96.7	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	152.4	170.7	-69.3	158	0	0	0	110.2	A86 R87 D106 S107 I110 R217 F220 W224	A86-L104 HydrophobicContact CB-CD2 4.36Å; A86-L104 WeakPolarHBondContact O-CA 3.47Å; R87-L104 HydrophobicContact CG-CD2 3.58Å; R87-L104 HydrophobicContact CG-CG 4.16Å; L104-D106 VanDerWaalsContact CB-OD1 3.24Å; L104-D106 WeakPolarHBondContact CB-OD1 3.38Å; L104-D106 PolarHBondContact O-N 3.45Å; L104-D106 VanDerWaalsContact O-N 3.16Å; L104-S107 WeakPolarHBondContact O-CB 3.46Å; L104-S107 PolarHBondContact O-N 2.83Å; L104-I110 WeakPolarHBondContact O-CD1 3.5Å; L104-R217 HydrophobicContact CD1-CB 4.27Å; L104-F220 HydrophobicContact CD1-CE1 3.82Å; L104-F220 HydrophobicContact CD1-CZ 4.09Å; L104-F220 HydrophobicContact CD2-CE1 3.97Å; L104-F220 HydrophobicContact CD2-CZ 4.24Å; L104-F220 HydrophobicContact CG-CE1 4.43Å; L104-W224 HydrophobicContact CD2-CH2 3.61Å; L104-W224 HydrophobicContact CD2-CZ2 3.75Å
105	V	98.4	Very high	96.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.9	175.3	-63.6	0	0	0	0	114.4	P54 N56 F58 A86 L88 H156	P54-V105 HydrophobicContact CB-CG2 3.68Å; P54-V105 HydrophobicContact CG-CG2 3.53Å; N56-V105 HydrophobicContact CB-CG1 4.28Å; N56-V105 WeakPolarHBondContact OD1-CG1 3.32Å; F58-V105 HydrophobicContact CD2-CB 4.33Å; F58-V105 HydrophobicContact CD2-CG1 3.58Å; F58-V105 HydrophobicContact CE2-CB 3.95Å; F58-V105 HydrophobicContact CE2-CG1 3.68Å; A86-V105 HydrophobicContact CB-CG2 4.33Å; A86-V105 PolarHBondContact O-N 2.99Å; L88-V105 HydrophobicContact CD1-CG1 4.35Å; L88-V105 HydrophobicContact CD2-CG1 3.79Å; L88-V105 HydrophobicContact CG-CG1 3.97Å; V105-H156 PolarHBondContact O-N 2.94Å
106	D	98.3	Very high	96.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	15.9	174	71	2.6	0	0	0	113	P54 L104 H156 E158 P159 R217	P54-D106 HydrophobicContact CG-CB 4.14Å; L104-D106 VanDerWaalsContact CB-OD1 3.24Å; L104-D106 WeakPolarHBondContact CB-OD1 3.38Å; L104-D106 PolarHBondContact O-N 3.45Å; L104-D106 VanDerWaalsContact O-N 3.16Å; D106-H156 WeakPolarHBondContact CA-O 3.36Å; D106-H156 HydrophobicContact CB-CB 3.69Å; D106-E158 WeakPolarHBondContact O-CA 3.47Å; D106-E158 WeakPolarHBondContact O-CB 3.38Å; D106-E158 WeakPolarHBondContact O-CG 3.43Å; D106-P159 WeakPolarHBondContact OD2-CD 3.33Å; D106-R217 PolarHBondContact O-NH1 2.96Å; D106-R217 IonicContact OD1-CZ 3.1Å; D106-R217 VanDerWaalsContact OD1-CZ 3.3Å; D106-R217 IonicContact OD1-NH1 3.45Å; D106-R217 PolarHBondContact OD1-NH1 3.49Å; D106-R217 IonicContact OD1-NH2 3.51Å; D106-R217 PolarHBondContact OD1-NH2 3.47Å; D106-R217 IonicContact OD2-NH2 3.11Å; D106-R217 PolarHBondContact OD2-NH2 2.73Å; D106-R217 VanDerWaalsContact OD2-NH2 3.09Å
107	S	98.4	Very high	96.4	Very high	8 Å²	8	44.3 Å²	44.3	6%	0.056	23%	0.232	C	C	.	.			trans	-77	126.1	-180	-177.7	0	0	0	0	111	L104 E109 I110	L104-S107 WeakPolarHBondContact O-CB 3.46Å; L104-S107 PolarHBondContact O-N 2.83Å; S107-E109 PolarHBondContact O-N 2.79Å; S107-E109 PolarHBondContact OG-N 2.96Å; S107-I110 WeakPolarHBondContact O-CG1 3.41Å; S107-I110 PolarHBondContact O-N 2.94Å
108	A	97.1	Very high	96.4	Very high	60 Å²	60	48.3 Å²	48.3	50%	0.496	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.5	175.1	0	0	0	0	0	113.9	Q111	A108-Q111 PolarHBondContact O-NE2 2.88Å
109	E	97.7	Very high	96.4	Very high	63 Å²	63	45.7 Å²	45.7	29%	0.294	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.5	178	-64	-179.8	-149.6	0	0	114.1	A66 Q67 R103 S107 Q111	A66-E109 WeakPolarHBondContact CA-O 3.48Å; Q67-E109 PolarHBondContact N-O 3.41Å; Q67-E109 VanDerWaalsContact N-O 3.14Å; R103-E109 IonicContact CZ-OE2 3.85Å; R103-E109 IonicContact NE-OE2 3.7Å; R103-E109 PolarHBondContact NE-OE2 2.92Å; R103-E109 IonicContact NH2-OE2 3.11Å; R103-E109 PolarHBondContact NH2-OE2 3.47Å; S107-E109 PolarHBondContact O-N 2.79Å; S107-E109 PolarHBondContact OG-N 2.96Å; E109-Q111 PolarHBondContact O-NE2 3.34Å
110	I	98.6	Very high	96.2	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.046	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.5	172.2	63.1	170.9	0	0	0	111.5	L64 E65 A66 L88 L90 R103 L104 S107 F155	L64-I110 HydrophobicContact CD1-CB 4.24Å; L64-I110 HydrophobicContact CD1-CG2 4.13Å; E65-I110 CarbonylContact O-C 3.46Å; E65-I110 WeakPolarHBondContact O-CA 3.45Å; A66-I110 HydrophobicContact CB-CG2 4.09Å; L88-I110 HydrophobicContact CD1-CD1 3.82Å; L90-I110 HydrophobicContact CD1-CG2 3.73Å; R103-I110 HydrophobicContact CB-CG2 3.97Å; R103-I110 HydrophobicContact CG-CG2 3.98Å; L104-I110 WeakPolarHBondContact O-CD1 3.5Å; S107-I110 WeakPolarHBondContact O-CG1 3.41Å; S107-I110 PolarHBondContact O-N 2.94Å; I110-F155 HydrophobicContact CB-CE1 4.37Å; I110-F155 HydrophobicContact CD1-CD1 4.33Å; I110-F155 HydrophobicContact CD1-CE1 4.28Å; I110-F155 HydrophobicContact CG1-CD1 4.21Å; I110-F155 HydrophobicContact CG1-CE1 4.25Å
111	Q	98.6	Very high	95.9	Very high	27 Å²	27	46.9 Å²	46.9	13%	0.126	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.7	-178.4	-53.2	85	40.6	0	0	111.4	E65 A108 E109 N115 F155	E65-Q111 HydrophobicContact CB-CB 4.23Å; E65-Q111 PolarHBondContact N-O 3.13Å; E65-Q111 PolarHBondContact O-N 3.18Å; A108-Q111 PolarHBondContact O-NE2 2.88Å; E109-Q111 PolarHBondContact O-NE2 3.34Å; Q111-N115 HydrophobicContact CB-CB 3.76Å; Q111-N115 HydrophobicContact CG-CB 4.44Å; Q111-F155 VanDerWaalsContact C-CZ 3.49Å; Q111-F155 WeakPolarHBondContact O-CE1 3.37Å; Q111-F155 WeakPolarHBondContact O-CZ 2.9Å
112	P	98.4	Very high	95.6	Very high	20 Å²	20	53 Å²	53	13%	0.13	30%	0.303	C	S	.	.			trans	-66.8	152.2	168.4	28	-34.9	0	0	0	111.4	N115 I152 F155	P112-N115 VanDerWaalsContact O-CB 3.24Å; P112-N115 WeakPolarHBondContact O-CB 3.4Å; P112-N115 PolarHBondContact O-N 3.13Å; P112-I152 HydrophobicContact CB-CB 4.41Å; P112-I152 HydrophobicContact CB-CG1 3.74Å; P112-I152 HydrophobicContact CG-CB 4.36Å; P112-I152 HydrophobicContact CG-CG1 3.87Å; P112-I152 HydrophobicContact CG-CG2 4.32Å; P112-F155 HydrophobicContact CB-CD2 4.02Å; P112-F155 HydrophobicContact CB-CE2 3.66Å; P112-F155 HydrophobicContact CB-CZ 4.13Å; P112-F155 HydrophobicContact CG-CD2 4.29Å; P112-F155 HydrophobicContact CG-CE2 4.37Å
113	I	97.7	Very high	95.5	Very high	37 Å²	37	52.7 Å²	52.7	19%	0.19	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	136.6	-179.9	-67.2	163.5	0	0	0	111.1	K63 E65 I77 L144 M149	K63-I113 HydrophobicContact CB-CD1 3.65Å; K63-I113 WeakPolarHBondContact O-CD1 3.46Å; E65-I113 HydrophobicContact CG-CG1 4.19Å; E65-I113 WeakPolarHBondContact OE1-CA 3.48Å; I77-I113 HydrophobicContact CD1-CD1 4.18Å; I77-I113 HydrophobicContact CD1-CG1 3.96Å; I113-L144 HydrophobicContact CD1-CD2 3.85Å; I113-L144 HydrophobicContact CG2-CD1 4.48Å; I113-M149 HydrophobicContact CB-SD 3.78Å; I113-M149 HydrophobicContact CD1-CB 4.24Å; I113-M149 HydrophobicContact CD1-CG 3.85Å; I113-M149 HydrophobicContact CD1-SD 3.78Å; I113-M149 HydrophobicContact CG1-SD 4.38Å; I113-M149 HydrophobicContact CG2-SD 3.68Å
114	G	92.8	Very high	95.5	Very high	30 Å²	30	53.6 Å²	53.6	31%	0.309	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-4.6	-172.4	0	0	0	0	0	113.4	E65 K118	E65-G114 PolarHBondContact OE1-N 2.85Å; G114-K118 WeakPolarHBondContact O-CB 3.37Å; G114-K118 PolarHBondContact O-N 3.04Å
115	N	95.8	Very high	95.4	Very high	50 Å²	50	55 Å²	55	27%	0.267	32%	0.319	S	S	.	.	H	α-helix	trans	-70.6	-45.7	178.2	-172.5	88.5	0	0	0	111.7	E65 Q111 P112 E117 K118 N119	E65-N115 PolarHBondContact OE1-N 3.24Å; Q111-N115 HydrophobicContact CB-CB 3.76Å; Q111-N115 HydrophobicContact CG-CB 4.44Å; P112-N115 VanDerWaalsContact O-CB 3.24Å; P112-N115 WeakPolarHBondContact O-CB 3.4Å; P112-N115 PolarHBondContact O-N 3.13Å; N115-E117 PolarHBondContact O-N 3.02Å; N115-K118 PolarHBondContact O-N 3.28Å; N115-N119 PolarHBondContact ND2-OD1 3.09Å; N115-N119 WeakPolarHBondContact O-CB 3.4Å; N115-N119 PolarHBondContact O-N 3.4Å; N115-N119 PolarHBondContact O-OD1 3.26Å
116	C	92.5	Very high	95.3	Very high	10 Å²	10	55.2 Å²	55.2	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-55	-49.7	177.6	-171.7	0	0	0	0	111.5	E65 T75 N119 G120 G121 L123	E65-C116 VanDerWaalsContact OE2-CB 3.23Å; E65-C116 WeakPolarHBondContact OE2-CB 3.4Å; E65-C116 PolarHBondContact OE2-N 3.2Å; T75-C116 HydrophobicContact CG2-CB 4.17Å; C116-N119 PolarHBondContact O-N 2.83Å; C116-G120 PolarHBondContact O-N 3.19Å; C116-G121 WeakPolarHBondContact O-CA 2.81Å; C116-G121 PolarHBondContact O-N 3.38Å; C116-L123 HydrophobicContact CB-CD2 3.7Å; C116-L123 HydrophobicContact CB-CG 4.24Å
117	E	92.7	Very high	95.1	Very high	156 Å²	156	59.7 Å²	59.7	73%	0.729	34%	0.344	S	S	*	.	H	α-helix	trans	-62.6	-47	176.9	-178.2	178.5	-172.6	0	0	112.1	N115 N119 G120	N115-E117 PolarHBondContact O-N 3.02Å; E117-N119 PolarHBondContact O-N 3.38Å; E117-G120 PolarHBondContact O-N 3.16Å
118	K	94.1	Very high	94.8	Very high	179 Å²	179	61.9 Å²	61.9	78%	0.778	37%	0.368	S	S	*	.	H	α-helix	trans	-58.5	-29.3	176.9	178.7	-178.2	175.2	-173.3	0	113.1	G114 N115 G120	G114-K118 WeakPolarHBondContact O-CB 3.37Å; G114-K118 PolarHBondContact O-N 3.04Å; N115-K118 PolarHBondContact O-N 3.28Å; K118-G120 VanDerWaalsContact C-N 3.34Å
119	N	91.9	Very high	94.9	Very high	122 Å²	122	60.4 Å²	60.4	65%	0.652	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	5.7	175.2	-81.3	106.1	0	0	0	114	N115 C116 E117 G121	N115-N119 PolarHBondContact ND2-OD1 3.09Å; N115-N119 WeakPolarHBondContact O-CB 3.4Å; N115-N119 PolarHBondContact O-N 3.4Å; N115-N119 PolarHBondContact O-OD1 3.26Å; C116-N119 PolarHBondContact O-N 2.83Å; E117-N119 PolarHBondContact O-N 3.38Å; N119-G121 VanDerWaalsContact C-N 3.31Å
120	G	89.8	Confident	94.7	Very high	74 Å²	74	65.4 Å²	65.4	76%	0.763	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	10.9	-179.4	0	0	0	0	0	114.5	C116 E117 K118	C116-G120 PolarHBondContact O-N 3.19Å; E117-G120 PolarHBondContact O-N 3.16Å; K118-G120 VanDerWaalsContact C-N 3.34Å
121	G	88.9	Confident	94.3	Very high	40 Å²	40	69.3 Å²	69.3	41%	0.412	39%	0.387	S	S	.	.			trans	-86.6	177.8	172.2	0	0	0	0	0	112.8	C116 N119	C116-G121 WeakPolarHBondContact O-CA 2.81Å; C116-G121 PolarHBondContact O-N 3.38Å; N119-G121 VanDerWaalsContact C-N 3.31Å
122	M	91.8	Very high	93.8	Very high	143 Å²	143	72.8 Å²	72.8	70%	0.704	41%	0.406	S	S	*	.			trans	-137.9	133.3	174.3	-179.8	173.6	65.1	0	0	109.5	Q124	M122-Q124 PolarHBondContact O-N 3.18Å; M122-Q124 PolarHBondContact O-NE2 3.27Å
123	L	96.1	Very high	93.1	Very high	22 Å²	22	75.6 Å²	75.6	12%	0.115	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-63.9	130.8	180	-65.2	172.1	0	0	0	111.6	E65 T75 I77 C116 W136 L140	E65-L123 HydrophobicContact CG-CD2 3.86Å; T75-L123 HydrophobicContact CG2-CD2 3.82Å; T75-L123 WeakPolarHBondContact O-CA 3.4Å; I77-L123 HydrophobicContact CD1-CD1 3.64Å; I77-L123 HydrophobicContact CG1-CD1 4.08Å; C116-L123 HydrophobicContact CB-CD2 3.7Å; C116-L123 HydrophobicContact CB-CG 4.24Å; L123-W136 HydrophobicContact CB-CZ2 4.32Å; L123-W136 PolarHBondContact O-NE1 3.27Å; L123-L140 HydrophobicContact CB-CD2 4.29Å; L123-L140 HydrophobicContact CD1-CD1 4.18Å; L123-L140 HydrophobicContact CD1-CD2 4.31Å
124	Q	96.8	Very high	92.6	Very high	67 Å²	67	78.5 Å²	78.5	31%	0.313	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-101.4	151.4	-176.1	-60.5	-54.5	-53	0	0	111.3	S74 T75 C76 M122 W136	S74-Q124 WeakPolarHBondContact OG-CB 3.19Å; T75-Q124 PolarHBondContact O-N 2.98Å; C76-Q124 PolarHBondContact SG-O 3.06Å; M122-Q124 PolarHBondContact O-N 3.18Å; M122-Q124 PolarHBondContact O-NE2 3.27Å; Q124-W136 WeakPolarHBondContact O-CH2 3.16Å; Q124-W136 WeakPolarHBondContact O-CZ2 3.24Å
125	P	96.7	Very high	92.5	Very high	37 Å²	37	79 Å²	79	24%	0.24	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-64.2	143.2	166.9	28.2	-33.2	0	0	0	109.9	F129 W136	P125-F129 HydrophobicContact CB-CB 4.04Å; P125-F129 HydrophobicContact CB-CD1 3.97Å; P125-F129 HydrophobicContact CB-CG 3.98Å; P125-W136 HydrophobicContact CB-CB 4.41Å; P125-W136 HydrophobicContact CB-CD2 3.74Å; P125-W136 HydrophobicContact CB-CE3 3.74Å; P125-W136 HydrophobicContact CB-CG 4.02Å; P125-W136 HydrophobicContact CB-CZ3 4.3Å; P125-W136 HydrophobicContact CG-CD2 4.39Å; P125-W136 HydrophobicContact CG-CG 4.26Å
126	P	97.6	Very high	92.4	Very high	5 Å²	5	77.6 Å²	77.6	3%	0.032	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-67	156.7	176.7	28.2	-35.4	0	0	0	112	L92 G128 F129	L92-P126 HydrophobicContact CB-CB 3.62Å; L92-P126 HydrophobicContact CB-CG 4.04Å; L92-P126 HydrophobicContact CD1-CB 3.56Å; L92-P126 HydrophobicContact CG-CB 4.21Å; P126-G128 PolarHBondContact O-N 3.42Å; P126-F129 HydrophobicContact CG-CB 4.06Å; P126-F129 HydrophobicContact CG-CD2 4.25Å; P126-F129 VanDerWaalsContact O-CB 3.25Å; P126-F129 WeakPolarHBondContact O-CB 3.47Å; P126-F129 PolarHBondContact O-N 3.37Å
127	L	93.5	Very high	92.2	Very high	95 Å²	95	80.2 Å²	80.2	50%	0.497	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	128.7	172.2	-166.4	70.2	0	0	0	109.3	D68 R70 F129	D68-L127 PolarHBondContact OD2-N 3.26Å; R70-L127 HydrophobicContact CB-CB 4.46Å; R70-L127 HydrophobicContact CB-CD2 3.67Å; R70-L127 PolarHBondContact NH1-O 2.87Å; R70-L127 PolarHBondContact NH2-O 3.42Å; L127-F129 VanDerWaalsContact C-N 3.32Å
128	G	92.9	Very high	92	Very high	54 Å²	54	78.8 Å²	78.8	56%	0.557	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	29.1	-170	0	0	0	0	0	114.1	P126 R130	P126-G128 PolarHBondContact O-N 3.42Å; G128-R130 PolarHBondContact O-N 3.21Å
129	F	97.5	Very high	92	Very high	28 Å²	28	72.3 Å²	72.3	12%	0.123	43%	0.428	C	S	.	.			trans	-50	131.5	159	-179.8	-123.1	0	0	0	109.9	P125 P126 L127 L131 W136 F139	P125-F129 HydrophobicContact CB-CB 4.04Å; P125-F129 HydrophobicContact CB-CD1 3.97Å; P125-F129 HydrophobicContact CB-CG 3.98Å; P126-F129 HydrophobicContact CG-CB 4.06Å; P126-F129 HydrophobicContact CG-CD2 4.25Å; P126-F129 VanDerWaalsContact O-CB 3.25Å; P126-F129 WeakPolarHBondContact O-CB 3.47Å; P126-F129 PolarHBondContact O-N 3.37Å; L127-F129 VanDerWaalsContact C-N 3.32Å; F129-L131 VanDerWaalsContact C-N 3.33Å; F129-L131 HydrophobicContact CD1-CB 4.33Å; F129-L131 WeakPolarHBondContact CD1-O 3.3Å; F129-L131 HydrophobicContact CE1-CB 3.68Å; F129-L131 HydrophobicContact CZ-CB 3.83Å; F129-L131 HydrophobicContact CZ-CD1 4.11Å; F129-L131 HydrophobicContact CZ-CG 4.22Å; F129-L131 PolarHBondContact O-N 2.97Å; F129-W136 HydrophobicContact CD2-CE3 4.29Å; F129-W136 HydrophobicContact CD2-CZ3 4.41Å; F129-W136 HydrophobicContact CE1-CB 4.3Å; F129-W136 HydrophobicContact CE1-CE3 4.28Å; F129-W136 AromaticContact CE2-CE3 3.85Å; F129-W136 HydrophobicContact CE2-CE3 3.85Å; F129-W136 HydrophobicContact CE2-CZ3 4.12Å; F129-W136 AromaticContact CZ-CE3 3.84Å; F129-W136 HydrophobicContact CZ-CE3 3.84Å; F129-F139 HydrophobicContact CE2-CB 4.33Å; F129-F139 AromaticContact CE2-CD1 3.58Å; F129-F139 HydrophobicContact CE2-CD1 3.58Å; F129-F139 HydrophobicContact CE2-CD2 4.03Å; F129-F139 AromaticContact CE2-CE1 3.87Å; F129-F139 HydrophobicContact CE2-CE1 3.87Å; F129-F139 HydrophobicContact CE2-CE2 4.3Å; F129-F139 AromaticContact CE2-CG 3.68Å; F129-F139 HydrophobicContact CE2-CG 3.68Å; F129-F139 HydrophobicContact CE2-CZ 4.24Å; F129-F139 HydrophobicContact CZ-CB 3.85Å; F129-F139 AromaticContact CZ-CD1 3.95Å; F129-F139 HydrophobicContact CZ-CD1 3.95Å; F129-F139 HydrophobicContact CZ-CD2 4.22Å; F129-F139 AromaticContact CZ-CG 3.71Å; F129-F139 HydrophobicContact CZ-CG 3.71Å
130	R	93.6	Very high	92.1	Very high	169 Å²	169	68.1 Å²	68.1	64%	0.638	41%	0.405	S	S	*	.	S	Bend	trans	-82.3	-5.6	-167.3	-71.2	172.7	163.5	-159.3	-5.5	115.2	G94 S95 D96 G128	G94-R130 WeakPolarHBondContact O-CB 3.42Å; G94-R130 WeakPolarHBondContact O-CG 3.27Å; G94-R130 PolarHBondContact O-N 3.14Å; S95-R130 WeakPolarHBondContact O-CD 3.48Å; S95-R130 PolarHBondContact O-NE 2.95Å; D96-R130 VanDerWaalsContact CB-NH2 3.29Å; G128-R130 PolarHBondContact O-N 3.21Å
131	L	90.6	Very high	92.1	Very high	91 Å²	91	68.8 Å²	68.8	48%	0.476	39%	0.391	S	S	.	.	S	Bend	trans	-114.9	168.7	177.3	-53.5	176.4	0	0	0	109.9	F129 F139	F129-L131 VanDerWaalsContact C-N 3.33Å; F129-L131 HydrophobicContact CD1-CB 4.33Å; F129-L131 WeakPolarHBondContact CD1-O 3.3Å; F129-L131 HydrophobicContact CE1-CB 3.68Å; F129-L131 HydrophobicContact CZ-CB 3.83Å; F129-L131 HydrophobicContact CZ-CD1 4.11Å; F129-L131 HydrophobicContact CZ-CG 4.22Å; F129-L131 PolarHBondContact O-N 2.97Å; L131-F139 HydrophobicContact CD1-CD2 3.99Å
132	N	89.1	Confident	92.2	Very high	99 Å²	99	75.2 Å²	75.2	53%	0.529	41%	0.408	S	S	.	.			trans	-65.2	154.5	172.3	60.6	21.7	0	0	0	111.4	S134 S135	N132-S134 PolarHBondContact O-N 2.76Å; N132-S134 PolarHBondContact OD1-OG 3.26Å; N132-S135 WeakPolarHBondContact O-CB 3.48Å; N132-S135 PolarHBondContact O-N 2.85Å; N132-S135 WeakPolarHBondContact OD1-CB 3.27Å; N132-S135 PolarHBondContact OD1-N 3.19Å; N132-S135 VanDerWaalsContact OD1-N 3.09Å; N132-S135 PolarHBondContact OD1-OG 3.02Å
133	A	83.1	Confident	92.3	Very high	80 Å²	80	69.4 Å²	69.4	66%	0.661	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-59.6	-32.1	-176.8	0	0	0	0	0	113.1	S135 W136	A133-S135 PolarHBondContact O-N 3.16Å; A133-W136 VanDerWaalsContact O-CB 3.28Å; A133-W136 WeakPolarHBondContact O-CB 3.33Å; A133-W136 PolarHBondContact O-N 2.84Å; A133-W136 VanDerWaalsContact O-N 3.08Å
134	S	87.1	Confident	92.1	Very high	98 Å²	98	70.6 Å²	70.6	69%	0.685	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-65.9	-20.8	175.1	45.8	0	0	0	0	114.1	N132 W136	N132-S134 PolarHBondContact O-N 2.76Å; N132-S134 PolarHBondContact OD1-OG 3.26Å; S134-W136 VanDerWaalsContact C-N 3.33Å
135	S	91.3	Very high	91.9	Very high	39 Å²	39	73.9 Å²	73.9	27%	0.273	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-77.2	-15.6	171.5	-63.6	0	0	0	0	113.6	N132 A133 M138 F139	N132-S135 WeakPolarHBondContact O-CB 3.48Å; N132-S135 PolarHBondContact O-N 2.85Å; N132-S135 WeakPolarHBondContact OD1-CB 3.27Å; N132-S135 PolarHBondContact OD1-N 3.19Å; N132-S135 VanDerWaalsContact OD1-N 3.09Å; N132-S135 PolarHBondContact OD1-OG 3.02Å; A133-S135 PolarHBondContact O-N 3.16Å; S135-M138 PolarHBondContact O-N 3.06Å; S135-F139 WeakPolarHBondContact O-CB 3.23Å; S135-F139 PolarHBondContact O-N 3.18Å
136	W	91.9	Very high	91.6	Very high	22 Å²	22	76 Å²	76	8%	0.083	44%	0.435	C	S	.	.	H	α-helix	trans	-54.5	-46.1	-171.7	175.4	-117.6	0	0	0	114.2	L123 Q124 P125 F129 A133 S134 M138 F139 L140	L123-W136 HydrophobicContact CB-CZ2 4.32Å; L123-W136 PolarHBondContact O-NE1 3.27Å; Q124-W136 WeakPolarHBondContact O-CH2 3.16Å; Q124-W136 WeakPolarHBondContact O-CZ2 3.24Å; P125-W136 HydrophobicContact CB-CB 4.41Å; P125-W136 HydrophobicContact CB-CD2 3.74Å; P125-W136 HydrophobicContact CB-CE3 3.74Å; P125-W136 HydrophobicContact CB-CG 4.02Å; P125-W136 HydrophobicContact CB-CZ3 4.3Å; P125-W136 HydrophobicContact CG-CD2 4.39Å; P125-W136 HydrophobicContact CG-CG 4.26Å; F129-W136 HydrophobicContact CD2-CE3 4.29Å; F129-W136 HydrophobicContact CD2-CZ3 4.41Å; F129-W136 HydrophobicContact CE1-CB 4.3Å; F129-W136 HydrophobicContact CE1-CE3 4.28Å; F129-W136 AromaticContact CE2-CE3 3.85Å; F129-W136 HydrophobicContact CE2-CE3 3.85Å; F129-W136 HydrophobicContact CE2-CZ3 4.12Å; F129-W136 AromaticContact CZ-CE3 3.84Å; F129-W136 HydrophobicContact CZ-CE3 3.84Å; A133-W136 VanDerWaalsContact O-CB 3.28Å; A133-W136 WeakPolarHBondContact O-CB 3.33Å; A133-W136 PolarHBondContact O-N 2.84Å; A133-W136 VanDerWaalsContact O-N 3.08Å; S134-W136 VanDerWaalsContact C-N 3.33Å; W136-M138 PolarHBondContact O-N 3.42Å; W136-F139 AromaticContact CE3-CD1 3.82Å; W136-F139 HydrophobicContact CE3-CD1 3.82Å; W136-F139 AromaticContact CZ3-CD1 3.61Å; W136-F139 HydrophobicContact CZ3-CD1 3.61Å; W136-F139 AromaticContact CZ3-CE1 3.96Å; W136-F139 HydrophobicContact CZ3-CE1 3.96Å; W136-F139 PolarHBondContact O-N 3.39Å; W136-L140 HydrophobicContact CH2-CD1 4.34Å; W136-L140 HydrophobicContact CZ2-CB 4.46Å; W136-L140 HydrophobicContact CZ2-CD1 4.19Å; W136-L140 HydrophobicContact CZ2-CD2 4.34Å; W136-L140 WeakPolarHBondContact O-CB 3.33Å; W136-L140 PolarHBondContact O-N 3.07Å
137	P	88.4	Confident	91.4	Very high	65 Å²	65	77.2 Å²	77.2	42%	0.422	45%	0.445	S	S	.	.	H	α-helix	trans	-63.7	-41.5	-178.7	-22.5	34.7	0	0	0	113.2	L141	P137-L141 WeakPolarHBondContact O-CB 3.16Å; P137-L141 PolarHBondContact O-N 3.22Å
138	M	88.8	Confident	91.6	Very high	125 Å²	125	76.6 Å²	76.6	62%	0.616	44%	0.44	S	S	*	.	H	α-helix	trans	-72.2	-34.4	177.4	-69.8	-58.5	-63.1	0	0	112.1	S135 W136 K142	S135-M138 PolarHBondContact O-N 3.06Å; W136-M138 PolarHBondContact O-N 3.42Å; M138-K142 VanDerWaalsContact O-CB 3.27Å; M138-K142 WeakPolarHBondContact O-CB 3.33Å; M138-K142 PolarHBondContact O-N 2.92Å
139	F	95.3	Very high	91.8	Very high	43 Å²	43	78.8 Å²	78.8	19%	0.189	44%	0.437	C	S	.	.	H	α-helix	trans	-64.2	-46.8	172.8	177.3	-89.6	0	0	0	111.3	D93 G94 F129 L131 S135 W136 K142 T143	D93-F139 HydrophobicContact CB-CE1 4.08Å; D93-F139 HydrophobicContact CB-CZ 4.23Å; D93-F139 WeakPolarHBondContact O-CE1 3.32Å; G94-F139 VanDerWaalsContact CA-CZ 3.46Å; F129-F139 HydrophobicContact CE2-CB 4.33Å; F129-F139 AromaticContact CE2-CD1 3.58Å; F129-F139 HydrophobicContact CE2-CD1 3.58Å; F129-F139 HydrophobicContact CE2-CD2 4.03Å; F129-F139 AromaticContact CE2-CE1 3.87Å; F129-F139 HydrophobicContact CE2-CE1 3.87Å; F129-F139 HydrophobicContact CE2-CE2 4.3Å; F129-F139 AromaticContact CE2-CG 3.68Å; F129-F139 HydrophobicContact CE2-CG 3.68Å; F129-F139 HydrophobicContact CE2-CZ 4.24Å; F129-F139 HydrophobicContact CZ-CB 3.85Å; F129-F139 AromaticContact CZ-CD1 3.95Å; F129-F139 HydrophobicContact CZ-CD1 3.95Å; F129-F139 HydrophobicContact CZ-CD2 4.22Å; F129-F139 AromaticContact CZ-CG 3.71Å; F129-F139 HydrophobicContact CZ-CG 3.71Å; L131-F139 HydrophobicContact CD1-CD2 3.99Å; S135-F139 WeakPolarHBondContact O-CB 3.23Å; S135-F139 PolarHBondContact O-N 3.18Å; W136-F139 AromaticContact CE3-CD1 3.82Å; W136-F139 HydrophobicContact CE3-CD1 3.82Å; W136-F139 AromaticContact CZ3-CD1 3.61Å; W136-F139 HydrophobicContact CZ3-CD1 3.61Å; W136-F139 AromaticContact CZ3-CE1 3.96Å; W136-F139 HydrophobicContact CZ3-CE1 3.96Å; W136-F139 PolarHBondContact O-N 3.39Å; F139-K142 PolarHBondContact O-N 3.48Å; F139-T143 WeakPolarHBondContact CE1-OG1 3.41Å; F139-T143 VanDerWaalsContact CZ-OG1 3.29Å; F139-T143 WeakPolarHBondContact CZ-OG1 3.39Å; F139-T143 WeakPolarHBondContact O-CB 3.44Å; F139-T143 PolarHBondContact O-N 2.83Å; F139-T143 PolarHBondContact O-OG1 3.05Å
140	L	92.4	Very high	91.8	Very high	34 Å²	34	77.7 Å²	77.7	18%	0.178	43%	0.433	C	S	.	.	H	α-helix	trans	-60	-50	177.8	-179.5	61.2	0	0	0	111	I77 L123 W136 K142 T143 L144	I77-L140 HydrophobicContact CD1-CD1 4.34Å; I77-L140 HydrophobicContact CG1-CD1 3.48Å; I77-L140 VanDerWaalsContact CG1-CD1 3.48Å; L123-L140 HydrophobicContact CB-CD2 4.29Å; L123-L140 HydrophobicContact CD1-CD1 4.18Å; L123-L140 HydrophobicContact CD1-CD2 4.31Å; W136-L140 HydrophobicContact CH2-CD1 4.34Å; W136-L140 HydrophobicContact CZ2-CB 4.46Å; W136-L140 HydrophobicContact CZ2-CD1 4.19Å; W136-L140 HydrophobicContact CZ2-CD2 4.34Å; W136-L140 WeakPolarHBondContact O-CB 3.33Å; W136-L140 PolarHBondContact O-N 3.07Å; L140-K142 PolarHBondContact O-N 2.84Å; L140-T143 PolarHBondContact O-N 3.01Å; L140-L144 HydrophobicContact CD1-CD1 3.79Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 4.21Å; L140-L144 WeakPolarHBondContact O-CG 3.34Å; L140-L144 PolarHBondContact O-N 3.32Å
141	L	91.1	Very high	92	Very high	89 Å²	89	71.4 Å²	71.4	47%	0.466	41%	0.414	S	S	.	.	H	α-helix	trans	-58.2	-45.7	176.9	179.9	61.6	0	0	0	112.1	P137 T143 N145	P137-L141 WeakPolarHBondContact O-CB 3.16Å; P137-L141 PolarHBondContact O-N 3.22Å; L141-T143 VanDerWaalsContact C-N 3.34Å; L141-T143 PolarHBondContact O-N 2.92Å; L141-N145 WeakPolarHBondContact O-CB 3.48Å; L141-N145 PolarHBondContact O-N 2.75Å; L141-N145 VanDerWaalsContact O-N 3.07Å
142	K	90.7	Very high	92.4	Very high	175 Å²	175	73.4 Å²	73.4	76%	0.761	42%	0.424	S	S	*	.	H	α-helix	trans	-67.2	-33.4	177.7	-177.3	173.4	177.8	177.4	0	112.9	M138 F139 L140	M138-K142 VanDerWaalsContact O-CB 3.27Å; M138-K142 WeakPolarHBondContact O-CB 3.33Å; M138-K142 PolarHBondContact O-N 2.92Å; F139-K142 PolarHBondContact O-N 3.48Å; L140-K142 PolarHBondContact O-N 2.84Å
143	T	93.2	Very high	92.8	Very high	21 Å²	21	77.7 Å²	77.7	13%	0.129	43%	0.433	C	S	.	.	H	α-helix	trans	-74.6	-31.6	-179.5	-70.4	0	0	0	0	112.6	K63 I77 D93 F139 L140 L141	K63-T143 HydrophobicContact CD-CG2 4.06Å; K63-T143 WeakPolarHBondContact CE-O 3.41Å; I77-T143 HydrophobicContact CG2-CG2 4.32Å; D93-T143 HydrophobicContact CB-CG2 3.83Å; D93-T143 VanDerWaalsContact OD1-CG2 3.29Å; D93-T143 WeakPolarHBondContact OD1-CG2 3.26Å; F139-T143 WeakPolarHBondContact CE1-OG1 3.41Å; F139-T143 VanDerWaalsContact CZ-OG1 3.29Å; F139-T143 WeakPolarHBondContact CZ-OG1 3.39Å; F139-T143 WeakPolarHBondContact O-CB 3.44Å; F139-T143 PolarHBondContact O-N 2.83Å; F139-T143 PolarHBondContact O-OG1 3.05Å; L140-T143 PolarHBondContact O-N 3.01Å; L141-T143 VanDerWaalsContact C-N 3.34Å; L141-T143 PolarHBondContact O-N 2.92Å
144	L	93.2	Very high	93.5	Very high	47 Å²	47	74 Å²	74	25%	0.246	40%	0.401	C	S	.	.	H	α-helix	trans	-89.5	-26.8	179	-64.7	-178.9	0	0	0	113.4	K63 I77 I113 L140 G146 A147	K63-L144 HydrophobicContact CD-CD2 4.38Å; I77-L144 HydrophobicContact CD1-CD2 4.04Å; I77-L144 HydrophobicContact CG1-CD2 4.25Å; I77-L144 HydrophobicContact CG2-CD2 4.39Å; I113-L144 HydrophobicContact CD1-CD2 3.85Å; I113-L144 HydrophobicContact CG2-CD1 4.48Å; L140-L144 HydrophobicContact CD1-CD1 3.79Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 4.21Å; L140-L144 WeakPolarHBondContact O-CG 3.34Å; L140-L144 PolarHBondContact O-N 3.32Å; L144-G146 PolarHBondContact O-N 3.45Å; L144-G146 VanDerWaalsContact O-N 3.16Å; L144-A147 PolarHBondContact O-N 3.14Å
145	N	92.9	Very high	94	Very high	135 Å²	135	71 Å²	71	72%	0.722	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	116.3	178.2	-174.1	13.6	0	0	0	111.6	L141 A147	L141-N145 WeakPolarHBondContact O-CB 3.48Å; L141-N145 PolarHBondContact O-N 2.75Å; L141-N145 VanDerWaalsContact O-N 3.07Å; N145-A147 VanDerWaalsContact C-N 3.31Å; N145-A147 PolarHBondContact O-N 2.67Å
146	G	89.1	Confident	94.3	Very high	83 Å²	83	72 Å²	72	86%	0.856	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	10.8	-179.4	0	0	0	0	0	115.5	L144	L144-G146 PolarHBondContact O-N 3.45Å; L144-G146 VanDerWaalsContact O-N 3.16Å
147	A	94.5	Very high	94.5	Very high	30 Å²	30	80.1 Å²	80.1	25%	0.248	41%	0.413	C	S	.	.			trans	-82.5	143.4	-179.8	0	0	0	0	0	113.3	K63 L144 N145 M149	K63-A147 HydrophobicContact CD-CB 3.71Å; K63-A147 HydrophobicContact CG-CB 4.29Å; L144-A147 PolarHBondContact O-N 3.14Å; N145-A147 VanDerWaalsContact C-N 3.31Å; N145-A147 PolarHBondContact O-N 2.67Å; A147-M149 PolarHBondContact O-N 3.44Å; A147-M149 VanDerWaalsContact O-N 3.16Å
148	E	96.9	Very high	94.8	Very high	82 Å²	82	79.6 Å²	79.6	38%	0.383	40%	0.404	S	S	.	.			trans	-69.7	108.3	166.7	-168.6	177.1	-179.3	0	0	108.6	K59 M62 K63	K59-E148 IonicContact NZ-OE1 3.55Å; M62-E148 CarbonylContact C-O 3.56Å; M62-E148 VanDerWaalsContact CA-O 3.31Å; M62-E148 WeakPolarHBondContact CA-O 3.49Å; M62-E148 HydrophobicContact CE-CG 4.41Å; M62-E148 WeakPolarHBondContact CE-OE1 3.49Å; M62-E148 HydrophobicContact CG-CG 4.04Å; K63-E148 PolarHBondContact N-O 3.33Å
149	M	97.3	Very high	95.2	Very high	99 Å²	99	74 Å²	74	49%	0.488	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-87	136.9	174.5	-58.8	-161.5	-63.2	0	0	110.1	I113 A147 P151	I113-M149 HydrophobicContact CB-SD 3.78Å; I113-M149 HydrophobicContact CD1-CB 4.24Å; I113-M149 HydrophobicContact CD1-CG 3.85Å; I113-M149 HydrophobicContact CD1-SD 3.78Å; I113-M149 HydrophobicContact CG1-SD 4.38Å; I113-M149 HydrophobicContact CG2-SD 3.68Å; A147-M149 PolarHBondContact O-N 3.44Å; A147-M149 VanDerWaalsContact O-N 3.16Å; M149-P151 WeakPolarHBondContact O-CD 3.48Å
150	A	98.1	Very high	95.3	Very high	5 Å²	5	77.4 Å²	77.4	4%	0.041	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-61.6	121.7	174.6	0	0	0	0	0	110	F58 M62 K63 L64 F155	F58-A150 HydrophobicContact CD1-CB 3.99Å; F58-A150 HydrophobicContact CE1-CB 3.62Å; M62-A150 HydrophobicContact CB-CB 4.28Å; M62-A150 HydrophobicContact SD-CB 4.25Å; K63-A150 WeakPolarHBondContact O-CB 3.38Å; K63-A150 PolarHBondContact O-N 2.92Å; L64-A150 HydrophobicContact CB-CB 4.32Å; A150-F155 HydrophobicContact CB-CE2 3.65Å; A150-F155 HydrophobicContact CB-CZ 3.74Å
151	P	97.5	Very high	95.6	Very high	37 Å²	37	78.5 Å²	78.5	24%	0.24	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-71.3	139.8	-174.8	26.9	-33.7	0	0	0	111.5	M149 R153 I154	M149-P151 WeakPolarHBondContact O-CD 3.48Å; P151-R153 HydrophobicContact CB-CG 4.5Å; P151-R153 PolarHBondContact O-N 2.9Å; P151-I154 HydrophobicContact CG-CD1 4.22Å; P151-I154 HydrophobicContact CG-CG1 4.12Å; P151-I154 HydrophobicContact CG-CG2 4.15Å; P151-I154 WeakPolarHBondContact O-CG1 3.45Å; P151-I154 PolarHBondContact O-N 3.15Å
152	I	97.6	Very high	95.9	Very high	133 Å²	133	75.1 Å²	75.1	68%	0.682	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-46.6	-37	-175.5	-61.4	166.5	0	0	0	113.3	P112 I154 F155	P112-I152 HydrophobicContact CB-CB 4.41Å; P112-I152 HydrophobicContact CB-CG1 3.74Å; P112-I152 HydrophobicContact CG-CB 4.36Å; P112-I152 HydrophobicContact CG-CG1 3.87Å; P112-I152 HydrophobicContact CG-CG2 4.32Å; I152-I154 VanDerWaalsContact C-N 3.29Å; I152-I154 PolarHBondContact O-N 2.97Å; I152-F155 PolarHBondContact O-N 2.97Å
153	R	97.5	Very high	96.2	Very high	190 Å²	190	71.8 Å²	71.8	72%	0.717	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-63.7	-22.8	-176.6	74.9	-179.5	-177.3	-92.8	-7.6	115.7	P151	P151-R153 HydrophobicContact CB-CG 4.5Å; P151-R153 PolarHBondContact O-N 2.9Å
154	I	97.9	Very high	96.4	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.005	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-92.8	-0.6	-176.1	70.7	167.9	0	0	0	113.3	E57 F58 M62 P151 I152 H156	E57-I154 HydrophobicContact CB-CB 3.95Å; E57-I154 HydrophobicContact CB-CD1 4.42Å; E57-I154 HydrophobicContact CB-CG2 3.52Å; E57-I154 HydrophobicContact CG-CG2 4.26Å; F58-I154 HydrophobicContact CB-CD1 4.21Å; F58-I154 HydrophobicContact CD1-CD1 3.65Å; F58-I154 HydrophobicContact CD1-CG1 4.4Å; F58-I154 HydrophobicContact CD2-CD1 3.7Å; F58-I154 HydrophobicContact CD2-CG1 4.16Å; F58-I154 HydrophobicContact CE1-CD1 3.87Å; F58-I154 HydrophobicContact CE1-CG1 4.12Å; F58-I154 HydrophobicContact CE2-CB 4.38Å; F58-I154 HydrophobicContact CE2-CD1 3.91Å; F58-I154 HydrophobicContact CE2-CG1 3.87Å; F58-I154 WeakPolarHBondContact CE2-O 3.32Å; F58-I154 HydrophobicContact CG-CD1 3.57Å; F58-I154 HydrophobicContact CG-CG1 4.42Å; F58-I154 HydrophobicContact CZ-CD1 3.99Å; F58-I154 HydrophobicContact CZ-CG1 3.84Å; M62-I154 HydrophobicContact SD-CD1 4.02Å; P151-I154 HydrophobicContact CG-CD1 4.22Å; P151-I154 HydrophobicContact CG-CG1 4.12Å; P151-I154 HydrophobicContact CG-CG2 4.15Å; P151-I154 WeakPolarHBondContact O-CG1 3.45Å; P151-I154 PolarHBondContact O-N 3.15Å; I152-I154 VanDerWaalsContact C-N 3.29Å; I152-I154 PolarHBondContact O-N 2.97Å; I154-H156 PolarHBondContact O-CD2 2.89Å
155	F	98	Very high	96.7	Very high	36 Å²	36	74.3 Å²	74.3	16%	0.158	41%	0.406	C	S	.	.	S	Bend	trans	-84.5	114.4	170.2	-68.3	-98.8	0	0	0	108.7	F58 L64 I110 Q111 P112 A150 I152	F58-F155 HydrophobicContact CE1-CE1 4.08Å; F58-F155 HydrophobicContact CE1-CE2 4.08Å; F58-F155 AromaticContact CE1-CZ 3.77Å; F58-F155 HydrophobicContact CE1-CZ 3.77Å; F58-F155 AromaticContact CZ-CD1 3.99Å; F58-F155 HydrophobicContact CZ-CD1 3.99Å; F58-F155 HydrophobicContact CZ-CD2 4.17Å; F58-F155 AromaticContact CZ-CE1 3.85Å; F58-F155 HydrophobicContact CZ-CE1 3.85Å; F58-F155 HydrophobicContact CZ-CE2 4.03Å; F58-F155 HydrophobicContact CZ-CG 4.15Å; F58-F155 AromaticContact CZ-CZ 3.87Å; F58-F155 HydrophobicContact CZ-CZ 3.87Å; L64-F155 HydrophobicContact CB-CE1 4.16Å; L64-F155 HydrophobicContact CB-CZ 3.74Å; L64-F155 HydrophobicContact CD2-CE1 4.29Å; L64-F155 HydrophobicContact CD2-CZ 4.31Å; I110-F155 HydrophobicContact CB-CE1 4.37Å; I110-F155 HydrophobicContact CD1-CD1 4.33Å; I110-F155 HydrophobicContact CD1-CE1 4.28Å; I110-F155 HydrophobicContact CG1-CD1 4.21Å; I110-F155 HydrophobicContact CG1-CE1 4.25Å; Q111-F155 VanDerWaalsContact C-CZ 3.49Å; Q111-F155 WeakPolarHBondContact O-CE1 3.37Å; Q111-F155 WeakPolarHBondContact O-CZ 2.9Å; P112-F155 HydrophobicContact CB-CD2 4.02Å; P112-F155 HydrophobicContact CB-CE2 3.66Å; P112-F155 HydrophobicContact CB-CZ 4.13Å; P112-F155 HydrophobicContact CG-CD2 4.29Å; P112-F155 HydrophobicContact CG-CE2 4.37Å; A150-F155 HydrophobicContact CB-CE2 3.65Å; A150-F155 HydrophobicContact CB-CZ 3.74Å; I152-F155 PolarHBondContact O-N 2.97Å
156	H	97.6	Very high	96.9	Very high	60 Å²	60	70.7 Å²	70.7	28%	0.278	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-82	148.5	-176.7	-74.7	-92.8	0	0	0	111.4	P54 S55 V105 D106 I154	P54-H156 HydrophobicContact CB-CB 3.99Å; S55-H156 PolarHBondContact O-NE2 2.89Å; S55-H156 VanDerWaalsContact O-NE2 3.09Å; S55-H156 PolarHBondContact OG-CE1 3.05Å; S55-H156 PolarHBondContact OG-NE2 2.81Å; V105-H156 PolarHBondContact O-N 2.94Å; D106-H156 WeakPolarHBondContact CA-O 3.36Å; D106-H156 HydrophobicContact CB-CB 3.69Å; I154-H156 PolarHBondContact O-CD2 2.89Å
157	K	96.3	Very high	97.4	Very high	193 Å²	193	66.8 Å²	66.8	84%	0.839	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-70.1	132.4	173.6	-178.4	-175.6	173.9	-174.4	0	109.6
158	E	95.8	Very high	97.6	Very high	53 Å²	53	70.9 Å²	70.9	25%	0.248	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-60.6	136.4	178.8	-166.3	173.9	-147.2	0	0	112.7	K48 D106 R217	K48-E158 VanDerWaalsContact CE-CD 3.41Å; K48-E158 WeakPolarHBondContact CE-OE1 3.39Å; K48-E158 WeakPolarHBondContact CE-OE2 3.39Å; K48-E158 IonicContact NZ-OE1 3.73Å; K48-E158 PolarHBondContact NZ-OE1 3.08Å; K48-E158 IonicContact NZ-OE2 2.74Å; K48-E158 PolarHBondContact NZ-OE2 3.09Å; D106-E158 WeakPolarHBondContact O-CA 3.47Å; D106-E158 WeakPolarHBondContact O-CB 3.38Å; D106-E158 WeakPolarHBondContact O-CG 3.43Å; E158-R217 WeakPolarHBondContact OE1-CD 3.37Å; E158-R217 IonicContact OE1-CZ 2.71Å; E158-R217 IonicContact OE1-NE 3.09Å; E158-R217 IonicContact OE1-NH1 2.71Å; E158-R217 PolarHBondContact OE1-NH1 3.15Å; E158-R217 VanDerWaalsContact OE1-NH1 3.12Å
159	P	97.2	Very high	97.6	Very high	8 Å²	8	73.8 Å²	73.8	5%	0.052	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-61.4	152.4	175.1	19.9	-32	0	0	0	113.5	K48 D106	K48-P159 VanDerWaalsContact CE-O 3.27Å; K48-P159 WeakPolarHBondContact CE-O 3.35Å; K48-P159 HydrophobicContact CG-CG 4.43Å; D106-P159 WeakPolarHBondContact OD2-CD 3.33Å
160	P	97.1	Very high	97.6	Very high	115 Å²	115	70.8 Å²	70.8	75%	0.747	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-63.8	139.3	176.2	28.5	-34.8	0	0	0	111.3
161	S	97.6	Very high	97.7	Very high	57 Å²	57	72 Å²	72	40%	0.399	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-65.2	143.6	168.9	-61.1	0	0	0	0	110.7	K48	K48-S161 WeakPolarHBondContact CD-OG 3.48Å; K48-S161 WeakPolarHBondContact CE-OG 3.45Å
162	P	97.8	Very high	97.7	Very high	18 Å²	18	70.7 Å²	70.7	12%	0.117	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-55.5	149.4	165.6	-22.5	32.3	0	0	0	111.4	H45 H164 F166 F214	H45-P162 WeakPolarHBondContact O-CG 3.21Å; P162-H164 VanDerWaalsContact C-N 3.25Å; P162-H164 PolarHBondContact O-N 3.47Å; P162-F166 HydrophobicContact CB-CD2 4.02Å; P162-F166 HydrophobicContact CB-CE2 4.12Å; P162-F214 HydrophobicContact CB-CD2 4.14Å; P162-F214 HydrophobicContact CB-CE2 3.91Å; P162-F214 HydrophobicContact CG-CD2 4.19Å; P162-F214 HydrophobicContact CG-CE2 4.27Å; P162-F214 WeakPolarHBondContact O-CE2 3.41Å
163	S	97.4	Very high	97.8	Very high	105 Å²	105	64.3 Å²	64.3	73%	0.734	33%	0.328	S	S	*	.	S	Bend	trans	-67.8	-24.6	-176.3	61.1	0	0	0	0	114
164	H	97.3	Very high	97.8	Very high	102 Å²	102	55.3 Å²	55.3	47%	0.472	29%	0.294	S	S	.	.	S	Bend	trans	-160.4	178.8	175.2	61.9	-75.7	0	0	0	110.4	P162 F166	P162-H164 VanDerWaalsContact C-N 3.25Å; P162-H164 PolarHBondContact O-N 3.47Å; H164-F166 AromaticContact CE1-CE1 3.33Å; H164-F166 WeakPolarHBondContact CE1-CE1 3.46Å; H164-F166 AromaticContact CE1-CE2 3.8Å; H164-F166 AromaticContact CE1-CZ 3.18Å; H164-F166 WeakPolarHBondContact CE1-CZ 3.45Å; H164-F166 AromaticContact ND1-CE2 3.77Å; H164-F166 AromaticContact ND1-CZ 3.58Å; H164-F166 AromaticContact NE2-CD1 3.9Å; H164-F166 AromaticContact NE2-CE1 3.6Å; H164-F166 AromaticContact NE2-CZ 3.86Å; H164-F166 WeakPolarHBondContact O-CD2 3.42Å; H164-F166 PolarHBondContact O-N 2.95Å; H164-F166 VanDerWaalsContact O-N 3.11Å
165	N	98.5	Very high	97.9	Very high	18 Å²	18	55.2 Å²	55.2	10%	0.096	29%	0.294	C	S	.	.			trans	-75.5	97.7	179.9	-166.9	-9.2	0	0	0	112	F167 V192 G194 E196 F214	N165-F167 WeakPolarHBondContact OD1-CB 3.45Å; N165-F167 WeakPolarHBondContact OD1-CD2 3.35Å; N165-F167 PolarHBondContact OD1-N 3.44Å; N165-V192 WeakPolarHBondContact ND2-CG1 3.33Å; N165-G194 VanDerWaalsContact CB-O 3.26Å; N165-G194 WeakPolarHBondContact CB-O 3.42Å; N165-G194 PolarHBondContact ND2-O 2.72Å; N165-E196 PolarHBondContact ND2-O 3.48Å; N165-F214 HydrophobicContact CB-CB 4.13Å; N165-F214 HydrophobicContact CB-CD1 3.61Å; N165-F214 HydrophobicContact CB-CE1 4.26Å; N165-F214 HydrophobicContact CB-CG 3.96Å
166	F	98.4	Very high	97.8	Very high	60 Å²	60	53.9 Å²	53.9	26%	0.263	29%	0.289	S	S	.	.			trans	-78.5	-20.1	178.2	-71.9	-85.8	0	0	0	113.9	H45 C46 P162 H164 K168	H45-F166 AromaticContact CD2-CD1 3.81Å; H45-F166 AromaticContact CD2-CG 3.72Å; H45-F166 AromaticContact NE2-CD1 3.85Å; C46-F166 HydrophobicContact CB-CB 4.22Å; C46-F166 VanDerWaalsContact SG-CB 3.53Å; P162-F166 HydrophobicContact CB-CD2 4.02Å; P162-F166 HydrophobicContact CB-CE2 4.12Å; H164-F166 AromaticContact CE1-CE1 3.33Å; H164-F166 WeakPolarHBondContact CE1-CE1 3.46Å; H164-F166 AromaticContact CE1-CE2 3.8Å; H164-F166 AromaticContact CE1-CZ 3.18Å; H164-F166 WeakPolarHBondContact CE1-CZ 3.45Å; H164-F166 AromaticContact ND1-CE2 3.77Å; H164-F166 AromaticContact ND1-CZ 3.58Å; H164-F166 AromaticContact NE2-CD1 3.9Å; H164-F166 AromaticContact NE2-CE1 3.6Å; H164-F166 AromaticContact NE2-CZ 3.86Å; H164-F166 WeakPolarHBondContact O-CD2 3.42Å; H164-F166 PolarHBondContact O-N 2.95Å; H164-F166 VanDerWaalsContact O-N 3.11Å; F166-K168 VanDerWaalsContact O-CE 3.28Å; F166-K168 WeakPolarHBondContact O-CE 3.41Å; F166-K168 PolarHBondContact O-NZ 2.75Å
167	F	98.8	Very high	97.7	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	28%	0.278	C	S	.	.			trans	-57	152.8	-176	-69.8	-78.7	0	0	0	113.2	A42 C46 F47 N165 I189 V197 F214 I219	A42-F167 HydrophobicContact CB-CD1 3.89Å; A42-F167 HydrophobicContact CB-CE1 3.67Å; C46-F167 HydrophobicContact CB-CD1 3.96Å; C46-F167 HydrophobicContact CB-CD2 4.12Å; C46-F167 HydrophobicContact CB-CE1 3.67Å; C46-F167 HydrophobicContact CB-CE2 3.84Å; C46-F167 HydrophobicContact CB-CG 4.18Å; C46-F167 HydrophobicContact CB-CZ 3.6Å; C46-F167 WeakPolarHBondContact O-CE2 3.14Å; F47-F167 HydrophobicContact CD1-CE1 4.39Å; F47-F167 AromaticContact CD1-CZ 3.77Å; F47-F167 HydrophobicContact CD1-CZ 3.77Å; F47-F167 HydrophobicContact CD2-CZ 4.4Å; F47-F167 AromaticContact CE1-CE1 3.79Å; F47-F167 HydrophobicContact CE1-CE1 3.79Å; F47-F167 AromaticContact CE1-CZ 3.58Å; F47-F167 HydrophobicContact CE1-CZ 3.58Å; F47-F167 HydrophobicContact CE2-CE1 4.08Å; F47-F167 HydrophobicContact CE2-CZ 4.24Å; F47-F167 HydrophobicContact CG-CZ 4.19Å; F47-F167 AromaticContact CZ-CE1 3.62Å; F47-F167 HydrophobicContact CZ-CE1 3.62Å; F47-F167 AromaticContact CZ-CZ 3.85Å; F47-F167 HydrophobicContact CZ-CZ 3.85Å; N165-F167 WeakPolarHBondContact OD1-CB 3.45Å; N165-F167 WeakPolarHBondContact OD1-CD2 3.35Å; N165-F167 PolarHBondContact OD1-N 3.44Å; F167-I189 HydrophobicContact CB-CD1 4.44Å; F167-I189 HydrophobicContact CB-CG1 4.35Å; F167-I189 HydrophobicContact CD1-CD1 3.71Å; F167-I189 HydrophobicContact CD1-CG1 3.82Å; F167-I189 HydrophobicContact CE1-CD1 4.13Å; F167-I189 HydrophobicContact CG-CD1 4.12Å; F167-I189 HydrophobicContact CG-CG1 4.37Å; F167-V197 HydrophobicContact CB-CG1 3.87Å; F167-V197 HydrophobicContact CD2-CG1 3.9Å; F167-V197 HydrophobicContact CG-CG1 4.09Å; F167-F214 HydrophobicContact CD2-CB 3.89Å; F167-F214 HydrophobicContact CE2-CB 3.98Å; F167-I219 HydrophobicContact CE2-CD1 3.96Å; F167-I219 HydrophobicContact CZ-CD1 3.84Å
168	K	98.4	Very high	97.4	Very high	115 Å²	115	47.6 Å²	47.6	50%	0.5	26%	0.258	S	S	.	.			trans	-133.2	147.7	174.9	-52.2	-67.1	158.3	-112.7	0	109.1	F166 M171 I189	F166-K168 VanDerWaalsContact O-CE 3.28Å; F166-K168 WeakPolarHBondContact O-CE 3.41Å; F166-K168 PolarHBondContact O-NZ 2.75Å; K168-M171 HydrophobicContact CB-CE 3.93Å; K168-M171 HydrophobicContact CB-CG 4.2Å; K168-M171 HydrophobicContact CB-SD 3.92Å; K168-M171 HydrophobicContact CG-CE 3.75Å; K168-M171 HydrophobicContact CG-SD 4.19Å; K168-M171 PolarHBondContact N-SD 2.82Å; K168-M171 WeakPolarHBondContact O-CB 3.21Å; K168-M171 WeakPolarHBondContact O-CG 3.4Å; K168-M171 PolarHBondContact O-N 2.85Å; K168-I189 WeakPolarHBondContact O-CB 3.46Å
169	M	98.1	Very high	97.1	Very high	144 Å²	144	51.7 Å²	51.7	71%	0.709	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	137	175.7	-172.4	177	72.9	0	0	110.6	I189 G190	M169-I189 CarbonylContact C-O 3.57Å; M169-I189 WeakPolarHBondContact CA-O 3.27Å; M169-G190 WeakPolarHBondContact CG-O 3.43Å
170	G	97.3	Very high	96.7	Very high	36 Å²	36	54.9 Å²	54.9	37%	0.371	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-7.3	-177.3	0	0	0	0	0	115.7	I189	G170-I189 PolarHBondContact N-O 3.22Å
171	M	98.7	Very high	96.3	Very high	29 Å²	29	51.8 Å²	51.8	14%	0.143	27%	0.272	C	S	.	.			trans	-67.6	139	170.5	-71.9	178.9	163.2	0	0	111.2	V40 A42 P43 K168 T188 I189	V40-M171 HydrophobicContact CG2-CG 4.42Å; V40-M171 WeakPolarHBondContact O-CA 3.48Å; A42-M171 HydrophobicContact CB-CB 4.02Å; A42-M171 HydrophobicContact CB-SD 4.11Å; P43-M171 HydrophobicContact CG-CE 4.47Å; K168-M171 HydrophobicContact CB-CE 3.93Å; K168-M171 HydrophobicContact CB-CG 4.2Å; K168-M171 HydrophobicContact CB-SD 3.92Å; K168-M171 HydrophobicContact CG-CE 3.75Å; K168-M171 HydrophobicContact CG-SD 4.19Å; K168-M171 PolarHBondContact N-SD 2.82Å; K168-M171 WeakPolarHBondContact O-CB 3.21Å; K168-M171 WeakPolarHBondContact O-CG 3.4Å; K168-M171 PolarHBondContact O-N 2.85Å; M171-T188 CarbonylContact O-C 3.59Å; M171-T188 WeakPolarHBondContact O-CA 3.47Å; M171-I189 HydrophobicContact CB-CG1 4.23Å; M171-I189 PolarHBondContact O-N 2.69Å
172	K	98.8	Very high	95.9	Very high	10 Å²	10	52.5 Å²	52.5	4%	0.043	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	148.8	174.7	-68.6	-165.1	175.4	-66.5	0	113.1	W30 Y33 L34 T37 S39 V40 P41 A42 A187 T188 D202	W30-K172 HydrophobicContact CH2-CB 4.46Å; W30-K172 HydrophobicContact CZ3-CB 4.09Å; W30-K172 HydrophobicContact CZ3-CD 4.11Å; Y33-K172 HydrophobicContact CD1-CD 4.36Å; Y33-K172 HydrophobicContact CE1-CD 4.03Å; L34-K172 HydrophobicContact CD2-CB 4.22Å; L34-K172 HydrophobicContact CD2-CD 4.12Å; T37-K172 WeakPolarHBondContact OG1-CE 3.4Å; S39-K172 WeakPolarHBondContact OG-CE 3.34Å; V40-K172 PolarHBondContact O-N 3.15Å; P41-K172 CarbonylContact C-O 3.6Å; P41-K172 WeakPolarHBondContact CA-O 3.23Å; A42-K172 PolarHBondContact N-O 3.35Å; K172-A187 CarbonylContact C-O 3.59Å; K172-A187 WeakPolarHBondContact CA-O 3.35Å; K172-T188 PolarHBondContact NZ-OG1 2.87Å; K172-D202 IonicContact NZ-OD1 2.76Å; K172-D202 PolarHBondContact NZ-OD1 3Å; K172-D202 VanDerWaalsContact NZ-OD1 3.1Å; K172-D202 IonicContact NZ-OD2 3.66Å; K172-D202 PolarHBondContact NZ-OD2 2.85Å
173	L	98.8	Very high	95.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	174.1	-178	65.7	151.2	0	0	0	111.2	F47 A175 A187 I189 I219	F47-L173 HydrophobicContact CE1-CB 4.07Å; F47-L173 HydrophobicContact CE1-CD1 4.24Å; F47-L173 HydrophobicContact CZ-CB 3.83Å; L173-A175 HydrophobicContact CD1-CB 4.25Å; L173-A187 HydrophobicContact CD2-CB 4.33Å; L173-A187 HydrophobicContact CG-CB 4.21Å; L173-A187 PolarHBondContact N-O 2.83Å; L173-A187 PolarHBondContact O-N 2.9Å; L173-I189 HydrophobicContact CD1-CD1 4.39Å; L173-I189 HydrophobicContact CD2-CD1 3.56Å; L173-I189 HydrophobicContact CD2-CG1 3.8Å; L173-I219 HydrophobicContact CD1-CB 3.77Å; L173-I219 HydrophobicContact CD1-CG2 3.66Å
174	E	98.7	Very high	95.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.1	165.2	-73.9	177.7	-164.4	0	0	109	W30 I184 F220 G223 W224 C225 L232	W30-E174 HydrophobicContact CZ2-CG 3.61Å; W30-E174 PolarHBondContact NE1-OE1 2.67Å; E174-I184 HydrophobicContact CB-CG2 3.76Å; E174-I184 HydrophobicContact CG-CG2 4.45Å; E174-F220 HydrophobicContact CB-CB 4.02Å; E174-F220 PolarHBondContact N-O 3.31Å; E174-F220 PolarHBondContact O-N 2.87Å; E174-G223 WeakPolarHBondContact OE1-CA 3.22Å; E174-G223 PolarHBondContact OE1-N 3.21Å; E174-W224 PolarHBondContact OE2-N 3.46Å; E174-C225 WeakPolarHBondContact OE2-CB 3.47Å; E174-C225 PolarHBondContact OE2-N 2.85Å; E174-C225 PolarHBondContact OE2-SG 2.86Å; E174-C225 VanDerWaalsContact OE2-SG 3.33Å; E174-L232 HydrophobicContact CG-CD1 3.77Å
175	A	98.6	Very high	95.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144	-178	0	0	0	0	0	112.9	L173 I184 C185 A187 V199 F201 D218 I219	L173-A175 HydrophobicContact CD1-CB 4.25Å; A175-I184 CarbonylContact O-C 3.52Å; A175-I184 WeakPolarHBondContact O-CA 3.08Å; A175-C185 PolarHBondContact N-O 3.04Å; A175-C185 PolarHBondContact O-N 2.86Å; A175-A187 HydrophobicContact CB-CB 3.87Å; A175-V199 HydrophobicContact CB-CG1 3.61Å; A175-F201 HydrophobicContact CB-CE1 4.17Å; A175-F201 HydrophobicContact CB-CZ 4.17Å; A175-D218 WeakPolarHBondContact CA-O 3.46Å; A175-I219 HydrophobicContact CB-CG2 4.08Å
176	V	97.8	Very high	95.5	Very high	8 Å²	8	44.9 Å²	44.9	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	129.5	172.7	-179	0	0	0	0	110	R178 P181 F183 I184 Y210 D218 F220	V176-R178 PolarHBondContact O-N 2.91Å; V176-P181 HydrophobicContact CG1-CB 3.91Å; V176-F183 WeakPolarHBondContact CA-O 3.36Å; V176-I184 HydrophobicContact CG2-CG1 3.98Å; V176-Y210 VanDerWaalsContact O-CE1 3.3Å; V176-Y210 WeakPolarHBondContact O-CE1 3.37Å; V176-Y210 PolarHBondContact O-OH 3.37Å; V176-D218 HydrophobicContact CB-CB 4.2Å; V176-D218 HydrophobicContact CG2-CB 4.3Å; V176-D218 WeakPolarHBondContact CG2-O 3.49Å; V176-D218 PolarHBondContact N-O 3.36Å; V176-F220 HydrophobicContact CG2-CE2 3.96Å
177	D	94.3	Very high	95.5	Very high	11 Å²	11	42 Å²	42	6%	0.059	21%	0.207	C	C	.	.			trans	-70.7	106.4	165.4	174.7	6.4	0	0	0	109.4	K179 N180 P181 F183	D177-K179 PolarHBondContact O-N 2.79Å; D177-K179 VanDerWaalsContact O-N 3.09Å; D177-K179 WeakPolarHBondContact OD1-CA 3.3Å; D177-K179 WeakPolarHBondContact OD1-CB 3.42Å; D177-K179 PolarHBondContact OD1-N 3.03Å; D177-N180 HydrophobicContact CB-CB 4.49Å; D177-N180 CarbonylContact O-C 3.6Å; D177-N180 PolarHBondContact O-N 2.78Å; D177-N180 PolarHBondContact OD1-N 3.4Å; D177-N180 WeakPolarHBondContact OD2-CB 3.47Å; D177-N180 PolarHBondContact OD2-N 2.84Å; D177-N180 PolarHBondContact OD2-ND2 2.85Å; D177-P181 VanDerWaalsContact O-CA 3.23Å; D177-P181 WeakPolarHBondContact O-CA 3.36Å; D177-F183 PolarHBondContact N-O 2.85Å
178	R	91.1	Very high	95.5	Very high	109 Å²	109	43 Å²	43	41%	0.411	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.3	179.4	-74.9	-179.1	171.1	172.4	-5.2	114.4	V176 Y210 W211 D218	V176-R178 PolarHBondContact O-N 2.91Å; R178-Y210 HydrophobicContact CB-CD1 4.21Å; R178-Y210 HydrophobicContact CB-CE1 4.14Å; R178-Y210 HydrophobicContact CG-CD1 4.01Å; R178-Y210 HydrophobicContact CG-CE1 3.66Å; R178-Y210 HydrophobicContact CG-CE2 4.5Å; R178-Y210 VanDerWaalsContact NH1-CD2 3.27Å; R178-W211 PolarHBondContact NH1-O 3.15Å; R178-D218 IonicContact CZ-OD2 2.71Å; R178-D218 IonicContact NE-OD2 2.84Å; R178-D218 PolarHBondContact NE-OD2 3.33Å; R178-D218 IonicContact NH2-OD2 3.19Å; R178-D218 PolarHBondContact NH2-OD2 3.5Å
179	K	87.9	Confident	95.5	Very high	139 Å²	139	37.6 Å²	37.6	60%	0.604	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-23.2	172.3	-61	-173.7	176	-177.4	0	112.7	D177 A207 F208	D177-K179 PolarHBondContact O-N 2.79Å; D177-K179 VanDerWaalsContact O-N 3.09Å; D177-K179 WeakPolarHBondContact OD1-CA 3.3Å; D177-K179 WeakPolarHBondContact OD1-CB 3.42Å; D177-K179 PolarHBondContact OD1-N 3.03Å; K179-A207 PolarHBondContact NZ-O 3.43Å; K179-F208 HydrophobicContact CB-CD1 4.25Å; K179-F208 HydrophobicContact CB-CE1 4.3Å; K179-F208 HydrophobicContact CD-CD1 3.92Å; K179-F208 HydrophobicContact CD-CE1 4.1Å; K179-F208 HydrophobicContact CG-CD1 4.39Å
180	N	88.6	Confident	95.5	Very high	76 Å²	76	32 Å²	32	41%	0.406	17%	0.169	S	C	.	.	S	Bend	trans	-137.3	67.7	176.4	-57.1	-84.4	0	0	0	110.7	D177 H182 F183	D177-N180 HydrophobicContact CB-CB 4.49Å; D177-N180 CarbonylContact O-C 3.6Å; D177-N180 PolarHBondContact O-N 2.78Å; D177-N180 PolarHBondContact OD1-N 3.4Å; D177-N180 WeakPolarHBondContact OD2-CB 3.47Å; D177-N180 PolarHBondContact OD2-N 2.84Å; D177-N180 PolarHBondContact OD2-ND2 2.85Å; N180-H182 PolarHBondContact O-N 2.83Å; N180-F183 HydrophobicContact CB-CD2 3.66Å; N180-F183 HydrophobicContact CB-CE2 4.09Å; N180-F183 PolarHBondContact O-N 3.34Å
181	P	90.1	Very high	95.6	Very high	50 Å²	50	33.5 Å²	33.5	33%	0.325	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-2.7	-163.3	-25.7	36.7	0	0	0	117	R87 V176 D177 F183	R87-P181 PolarHBondContact NH1-O 2.88Å; V176-P181 HydrophobicContact CG1-CB 3.91Å; D177-P181 VanDerWaalsContact O-CA 3.23Å; D177-P181 WeakPolarHBondContact O-CA 3.36Å; P181-F183 VanDerWaalsContact C-N 3.34Å
182	H	89.3	Confident	95.5	Very high	71 Å²	71	34.7 Å²	34.7	33%	0.329	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-40.7	164.4	177.7	35.7	0	0	0	112.2	R87 W102 N180	R87-H182 PolarHBondContact NH2-O 3.05Å; W102-H182 AromaticContact CH2-ND1 3.99Å; W102-H182 HydrophobicContact CZ2-CB 4.27Å; W102-H182 AromaticContact CZ2-ND1 3.38Å; W102-H182 WeakPolarHBondContact CZ2-ND1 3.39Å; N180-H182 PolarHBondContact O-N 2.83Å
183	F	91.7	Very high	95.5	Very high	68 Å²	68	40.7 Å²	40.7	30%	0.298	20%	0.198	S	C	.	.			trans	-85.7	134.6	-174.3	-58.4	-50.3	0	0	0	112.3	V176 D177 N180 P181 Q233	V176-F183 WeakPolarHBondContact CA-O 3.36Å; D177-F183 PolarHBondContact N-O 2.85Å; N180-F183 HydrophobicContact CB-CD2 3.66Å; N180-F183 HydrophobicContact CB-CE2 4.09Å; N180-F183 PolarHBondContact O-N 3.34Å; P181-F183 VanDerWaalsContact C-N 3.34Å; F183-Q233 HydrophobicContact CB-CG 3.82Å; F183-Q233 VanDerWaalsContact CD1-CD 3.49Å; F183-Q233 HydrophobicContact CD1-CG 3.52Å; F183-Q233 HydrophobicContact CE1-CG 4.26Å; F183-Q233 HydrophobicContact CG-CG 3.79Å
184	I	96.2	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.2	157.7	-65.8	169.6	0	0	0	107	E174 A175 V176 F220 W224 C225 L232 Q233	E174-I184 HydrophobicContact CB-CG2 3.76Å; E174-I184 HydrophobicContact CG-CG2 4.45Å; A175-I184 CarbonylContact O-C 3.52Å; A175-I184 WeakPolarHBondContact O-CA 3.08Å; V176-I184 HydrophobicContact CG2-CG1 3.98Å; I184-F220 HydrophobicContact CD1-CD2 4.07Å; I184-F220 HydrophobicContact CD1-CE2 3.63Å; I184-F220 HydrophobicContact CD1-CZ 4.22Å; I184-F220 HydrophobicContact CG1-CE2 4.22Å; I184-F220 HydrophobicContact CG2-CD2 4.48Å; I184-W224 HydrophobicContact CD1-CZ3 4.45Å; I184-C225 VanDerWaalsContact CG2-SG 3.57Å; I184-L232 HydrophobicContact CG2-CD1 4.04Å; I184-L232 WeakPolarHBondContact O-CA 3.49Å; I184-Q233 PolarHBondContact O-N 3.11Å
185	C	96.7	Very high	95.4	Very high	13 Å²	13	46.8 Å²	46.8	9%	0.088	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	153	-174.1	-59.3	0	0	0	0	111.1	A175 A187 F201	A175-C185 PolarHBondContact N-O 3.04Å; A175-C185 PolarHBondContact O-N 2.86Å; C185-A187 PolarHBondContact O-N 2.92Å; C185-F201 HydrophobicContact CB-CD1 3.74Å; C185-F201 HydrophobicContact CB-CE1 3.89Å
186	P	98.1	Very high	95.4	Very high	2 Å²	2	51 Å²	51	1%	0.013	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	128.5	161.3	-28.5	37.7	0	0	0	111.3	F28 W30 Y33 D202 L232 Q233 P235	F28-P186 HydrophobicContact CE1-CG 4.15Å; F28-P186 HydrophobicContact CE2-CG 4.17Å; F28-P186 HydrophobicContact CZ-CB 4.46Å; F28-P186 HydrophobicContact CZ-CG 3.69Å; W30-P186 HydrophobicContact CH2-CB 3.57Å; W30-P186 HydrophobicContact CH2-CG 4.04Å; W30-P186 HydrophobicContact CZ2-CB 3.91Å; W30-P186 HydrophobicContact CZ2-CG 3.9Å; W30-P186 HydrophobicContact CZ3-CB 4.36Å; Y33-P186 HydrophobicContact CE1-CB 4.45Å; P186-D202 HydrophobicContact CB-CB 4.26Å; P186-D202 PolarHBondContact O-N 2.74Å; P186-D202 VanDerWaalsContact O-N 3.13Å; P186-L232 HydrophobicContact CG-CD1 4.32Å; P186-Q233 WeakPolarHBondContact CD-O 3.49Å; P186-P235 HydrophobicContact CB-CG 4.22Å; P186-P235 HydrophobicContact CG-CG 4.12Å
187	A	98.4	Very high	95.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.6	179.9	0	0	0	0	0	110.7	K172 L173 A175 C185 V199 T200 F201	K172-A187 CarbonylContact C-O 3.59Å; K172-A187 WeakPolarHBondContact CA-O 3.35Å; L173-A187 HydrophobicContact CD2-CB 4.33Å; L173-A187 HydrophobicContact CG-CB 4.21Å; L173-A187 PolarHBondContact N-O 2.83Å; L173-A187 PolarHBondContact O-N 2.9Å; A175-A187 HydrophobicContact CB-CB 3.87Å; C185-A187 PolarHBondContact O-N 2.92Å; A187-V199 HydrophobicContact CB-CG1 3.75Å; A187-T200 CarbonylContact C-O 3.54Å; A187-T200 WeakPolarHBondContact CA-O 3.31Å; A187-T200 VanDerWaalsContact CB-O 3.25Å; A187-T200 WeakPolarHBondContact CB-O 3.45Å; A187-F201 HydrophobicContact CB-CD1 4.4Å; A187-F201 HydrophobicContact CB-CE1 4.48Å
188	T	98.6	Very high	95.6	Very high	23 Å²	23	51.6 Å²	51.6	14%	0.141	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.1	177.4	-57.5	0	0	0	0	109.6	M171 K172 G190 T200 D202	M171-T188 CarbonylContact O-C 3.59Å; M171-T188 WeakPolarHBondContact O-CA 3.47Å; K172-T188 PolarHBondContact NZ-OG1 2.87Å; T188-G190 PolarHBondContact O-N 2.77Å; T188-T200 PolarHBondContact N-O 3.27Å; T188-T200 PolarHBondContact O-N 3.1Å; T188-T200 PolarHBondContact O-OG1 3.08Å; T188-D202 PolarHBondContact OG1-OD1 2.71Å
189	I	98.7	Very high	96	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	103.9	168.8	-57.2	-63.6	0	0	0	108.4	F167 K168 M169 G170 M171 L173 V192 V197 L198	F167-I189 HydrophobicContact CB-CD1 4.44Å; F167-I189 HydrophobicContact CB-CG1 4.35Å; F167-I189 HydrophobicContact CD1-CD1 3.71Å; F167-I189 HydrophobicContact CD1-CG1 3.82Å; F167-I189 HydrophobicContact CE1-CD1 4.13Å; F167-I189 HydrophobicContact CG-CD1 4.12Å; F167-I189 HydrophobicContact CG-CG1 4.37Å; K168-I189 WeakPolarHBondContact O-CB 3.46Å; M169-I189 CarbonylContact C-O 3.57Å; M169-I189 WeakPolarHBondContact CA-O 3.27Å; G170-I189 PolarHBondContact N-O 3.22Å; M171-I189 HydrophobicContact CB-CG1 4.23Å; M171-I189 PolarHBondContact O-N 2.69Å; L173-I189 HydrophobicContact CD1-CD1 4.39Å; L173-I189 HydrophobicContact CD2-CD1 3.56Å; L173-I189 HydrophobicContact CD2-CG1 3.8Å; I189-V192 HydrophobicContact CG2-CG2 3.57Å; I189-V197 HydrophobicContact CD1-CB 4.11Å; I189-V197 HydrophobicContact CD1-CG2 4.18Å; I189-V197 HydrophobicContact CG2-CB 4.46Å; I189-L198 CarbonylContact C-O 3.54Å
190	G	97.6	Very high	96.4	Very high	27 Å²	27	41.2 Å²	41.2	28%	0.278	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-29.8	-179.7	0	0	0	0	0	113.9	M169 T188 L198	M169-G190 WeakPolarHBondContact CG-O 3.43Å; T188-G190 PolarHBondContact O-N 2.77Å; G190-L198 PolarHBondContact N-O 2.85Å
191	E	98.3	Very high	96.8	Very high	68 Å²	68	38 Å²	38	32%	0.318	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	158.2	179.9	-159.6	-174.1	157.8	0	0	110.1	R193 L198 W211	E191-R193 IonicContact OE1-CZ 3.2Å; E191-R193 IonicContact OE1-NE 2.71Å; E191-R193 PolarHBondContact OE1-NE 3.15Å; E191-R193 IonicContact OE1-NH2 2.85Å; E191-R193 PolarHBondContact OE1-NH2 3.48Å; E191-R193 IonicContact OE2-CZ 3.49Å; E191-R193 IonicContact OE2-NE 3.64Å; E191-R193 IonicContact OE2-NH2 2.78Å; E191-R193 PolarHBondContact OE2-NH2 3.3Å; E191-L198 HydrophobicContact CB-CB 3.93Å; E191-L198 HydrophobicContact CB-CD2 4.07Å; E191-L198 PolarHBondContact O-N 2.76Å; E191-W211 HydrophobicContact CB-CH2 3.69Å; E191-W211 HydrophobicContact CB-CZ2 4.16Å; E191-W211 HydrophobicContact CG-CH2 3.92Å; E191-W211 HydrophobicContact CG-CZ2 4.48Å; E191-W211 WeakPolarHBondContact OE2-CZ2 3.37Å
192	V	98.5	Very high	97	Very high	53 Å²	53	36.3 Å²	36.3	32%	0.321	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.8	178.2	-177.2	0	0	0	0	109.5	N165 I189 V197	N165-V192 WeakPolarHBondContact ND2-CG1 3.33Å; I189-V192 HydrophobicContact CG2-CG2 3.57Å; V192-V197 HydrophobicContact CG1-CG1 4.37Å; V192-V197 HydrophobicContact CG2-CG1 4.31Å
193	R	97.9	Very high	97	Very high	136 Å²	136	34 Å²	34	51%	0.513	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	93.9	-179.2	-71.6	-179.9	-171.9	165.4	9.3	110.9	E191 S195 E196 W211	E191-R193 IonicContact OE1-CZ 3.2Å; E191-R193 IonicContact OE1-NE 2.71Å; E191-R193 PolarHBondContact OE1-NE 3.15Å; E191-R193 IonicContact OE1-NH2 2.85Å; E191-R193 PolarHBondContact OE1-NH2 3.48Å; E191-R193 IonicContact OE2-CZ 3.49Å; E191-R193 IonicContact OE2-NE 3.64Å; E191-R193 IonicContact OE2-NH2 2.78Å; E191-R193 PolarHBondContact OE2-NH2 3.3Å; R193-S195 PolarHBondContact O-N 2.81Å; R193-E196 PolarHBondContact N-O 2.89Å; R193-E196 PolarHBondContact O-N 2.92Å; R193-W211 HydrophobicContact CB-CH2 4.13Å; R193-W211 HydrophobicContact CB-CZ3 3.87Å; R193-W211 HydrophobicContact CG-CH2 3.57Å; R193-W211 HydrophobicContact CG-CZ3 3.84Å; R193-W211 VanDerWaalsContact CZ-CZ2 3.46Å
194	G	96.9	Very high	96.8	Very high	66 Å²	66	36.3 Å²	36.3	68%	0.68	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	-111.8	179.2	0	0	0	0	0	111.8	N165	N165-G194 VanDerWaalsContact CB-O 3.26Å; N165-G194 WeakPolarHBondContact CB-O 3.42Å; N165-G194 PolarHBondContact ND2-O 2.72Å
195	S	97.9	Very high	96.2	Very high	62 Å²	62	46.1 Å²	46.1	43%	0.434	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-3	176.8	-61.1	0	0	0	0	114.4	R193 R213 F214	R193-S195 PolarHBondContact O-N 2.81Å; S195-R213 VanDerWaalsContact O-CA 3.27Å; S195-R213 WeakPolarHBondContact O-CA 3.43Å; S195-F214 VanDerWaalsContact O-CD1 3.32Å; S195-F214 WeakPolarHBondContact O-CD1 3.49Å; S195-F214 PolarHBondContact O-N 3.13Å
196	E	98.4	Very high	95.7	Very high	89 Å²	89	47.3 Å²	47.3	42%	0.416	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	153.6	-177.2	-57.1	-167.6	106.5	0	0	113	N165 R193 W211 C212	N165-E196 PolarHBondContact ND2-O 3.48Å; R193-E196 PolarHBondContact N-O 2.89Å; R193-E196 PolarHBondContact O-N 2.92Å; E196-W211 HydrophobicContact CB-CE3 3.84Å; E196-W211 HydrophobicContact CB-CZ3 4.3Å; E196-C212 CarbonylContact C-O 3.57Å; E196-C212 VanDerWaalsContact CA-O 3.29Å; E196-C212 WeakPolarHBondContact CA-O 3.09Å
197	V	98.7	Very high	95.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.4	174.6	-61.4	0	0	0	0	110	F167 I189 V192 V199 W211 C212	F167-V197 HydrophobicContact CB-CG1 3.87Å; F167-V197 HydrophobicContact CD2-CG1 3.9Å; F167-V197 HydrophobicContact CG-CG1 4.09Å; I189-V197 HydrophobicContact CD1-CB 4.11Å; I189-V197 HydrophobicContact CD1-CG2 4.18Å; I189-V197 HydrophobicContact CG2-CB 4.46Å; V192-V197 HydrophobicContact CG1-CG1 4.37Å; V192-V197 HydrophobicContact CG2-CG1 4.31Å; V197-V199 HydrophobicContact CG2-CG2 4.47Å; V197-W211 VanDerWaalsContact C-CE3 3.42Å; V197-W211 WeakPolarHBondContact O-CA 3.39Å; V197-C212 PolarHBondContact N-O 3.36Å; V197-C212 PolarHBondContact O-N 2.98Å
198	L	98.6	Very high	94.8	Very high	31 Å²	31	52.3 Å²	52.3	16%	0.162	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	112.9	170.8	175.7	59.7	0	0	0	108.7	I189 G190 E191 T200 D209 W211	I189-L198 CarbonylContact C-O 3.54Å; G190-L198 PolarHBondContact N-O 2.85Å; E191-L198 HydrophobicContact CB-CB 3.93Å; E191-L198 HydrophobicContact CB-CD2 4.07Å; E191-L198 PolarHBondContact O-N 2.76Å; L198-T200 HydrophobicContact CD2-CG2 4.2Å; L198-T200 HydrophobicContact CG-CG2 3.87Å; L198-D209 HydrophobicContact CD1-CB 4.18Å; L198-W211 HydrophobicContact CB-CD2 4.03Å; L198-W211 HydrophobicContact CB-CE3 4.09Å; L198-W211 HydrophobicContact CB-CH2 3.82Å; L198-W211 HydrophobicContact CB-CZ2 3.75Å; L198-W211 HydrophobicContact CB-CZ3 4Å; L198-W211 HydrophobicContact CD1-CD2 4.47Å; L198-W211 HydrophobicContact CD1-CG 4.47Å; L198-W211 HydrophobicContact CD2-CZ2 4.2Å; L198-W211 HydrophobicContact CG-CZ2 4.41Å
199	V	98.6	Very high	94.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	122	173.1	-180	0	0	0	0	108.1	A175 A187 V197 F201 D209 Y210 I219	A175-V199 HydrophobicContact CB-CG1 3.61Å; A187-V199 HydrophobicContact CB-CG1 3.75Å; V197-V199 HydrophobicContact CG2-CG2 4.47Å; V199-F201 HydrophobicContact CG1-CE2 4.11Å; V199-F201 HydrophobicContact CG1-CZ 4.14Å; V199-D209 WeakPolarHBondContact O-CA 3.45Å; V199-D209 WeakPolarHBondContact O-CB 3.21Å; V199-Y210 HydrophobicContact CB-CD2 4.25Å; V199-Y210 HydrophobicContact CB-CE2 4.02Å; V199-Y210 HydrophobicContact CG2-CD2 4.31Å; V199-Y210 HydrophobicContact CG2-CE2 3.86Å; V199-Y210 PolarHBondContact N-O 3.12Å; V199-Y210 PolarHBondContact O-N 2.89Å; V199-Y210 VanDerWaalsContact O-N 3.13Å; V199-I219 HydrophobicContact CG2-CG2 4Å
200	T	97.6	Very high	94.6	Very high	30 Å²	30	54.9 Å²	54.9	18%	0.184	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.8	176.2	71.8	0	0	0	0	110.9	A187 T188 L198 D209	A187-T200 CarbonylContact C-O 3.54Å; A187-T200 WeakPolarHBondContact CA-O 3.31Å; A187-T200 VanDerWaalsContact CB-O 3.25Å; A187-T200 WeakPolarHBondContact CB-O 3.45Å; T188-T200 PolarHBondContact N-O 3.27Å; T188-T200 PolarHBondContact O-N 3.1Å; T188-T200 PolarHBondContact O-OG1 3.08Å; L198-T200 HydrophobicContact CD2-CG2 4.2Å; L198-T200 HydrophobicContact CG-CG2 3.87Å; T200-D209 WeakPolarHBondContact CA-OD1 3.3Å; T200-D209 WeakPolarHBondContact CB-OD2 3.45Å; T200-D209 HydrophobicContact CG2-CB 4.39Å; T200-D209 WeakPolarHBondContact CG2-OD2 3.34Å
201	F	96.6	Very high	94.6	Very high	8 Å²	8	57.2 Å²	57.2	4%	0.035	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.2	-170.4	-76	-85.5	0	0	0	113.1	A175 C185 A187 V199 G203 W204 F208 D209 Y210	A175-F201 HydrophobicContact CB-CE1 4.17Å; A175-F201 HydrophobicContact CB-CZ 4.17Å; C185-F201 HydrophobicContact CB-CD1 3.74Å; C185-F201 HydrophobicContact CB-CE1 3.89Å; A187-F201 HydrophobicContact CB-CD1 4.4Å; A187-F201 HydrophobicContact CB-CE1 4.48Å; V199-F201 HydrophobicContact CG1-CE2 4.11Å; V199-F201 HydrophobicContact CG1-CZ 4.14Å; F201-G203 PolarHBondContact O-N 3.24Å; F201-W204 HydrophobicContact CB-CB 4.11Å; F201-W204 HydrophobicContact CB-CG 4.24Å; F201-W204 PolarHBondContact O-N 2.76Å; F201-F208 HydrophobicContact CB-CB 4.48Å; F201-F208 HydrophobicContact CD2-CB 3.7Å; F201-F208 HydrophobicContact CE2-CB 4.31Å; F201-F208 WeakPolarHBondContact CE2-O 3.48Å; F201-F208 HydrophobicContact CG-CB 4.24Å; F201-D209 PolarHBondContact N-OD1 3.38Å; F201-Y210 AromaticContact CE2-CD1 3.98Å; F201-Y210 HydrophobicContact CE2-CD1 3.98Å; F201-Y210 AromaticContact CE2-CE1 3.65Å; F201-Y210 HydrophobicContact CE2-CE1 3.65Å; F201-Y210 HydrophobicContact CZ-CD1 4.5Å; F201-Y210 AromaticContact CZ-CE1 3.73Å; F201-Y210 HydrophobicContact CZ-CE1 3.73Å
202	D	93.7	Very high	94.6	Very high	16 Å²	16	54.2 Å²	54.2	9%	0.086	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	125.1	-172.5	-74.4	-16	0	0	0	111.3	Y33 K172 P186 T188 W204 P235 G236	Y33-D202 WeakPolarHBondContact CE1-OD2 3.32Å; Y33-D202 PolarHBondContact OH-OD2 2.56Å; K172-D202 IonicContact NZ-OD1 2.76Å; K172-D202 PolarHBondContact NZ-OD1 3Å; K172-D202 VanDerWaalsContact NZ-OD1 3.1Å; K172-D202 IonicContact NZ-OD2 3.66Å; K172-D202 PolarHBondContact NZ-OD2 2.85Å; P186-D202 HydrophobicContact CB-CB 4.26Å; P186-D202 PolarHBondContact O-N 2.74Å; P186-D202 VanDerWaalsContact O-N 3.13Å; T188-D202 PolarHBondContact OG1-OD1 2.71Å; D202-W204 VanDerWaalsContact C-N 3.35Å; D202-P235 HydrophobicContact CB-CB 4.17Å; D202-G236 PolarHBondContact O-N 2.86Å
203	G	88.6	Confident	94.6	Very high	22 Å²	22	57.8 Å²	57.8	23%	0.227	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	5	-177.1	0	0	0	0	0	115.4	F201 G236	F201-G203 PolarHBondContact O-N 3.24Å; G203-G236 VanDerWaalsContact CA-O 3.27Å; G203-G236 WeakPolarHBondContact CA-O 3.48Å
204	W	88.8	Confident	94.6	Very high	117 Å²	117	52 Å²	52	44%	0.443	28%	0.275	S	S	.	.	S	Bend	trans	-113.4	150.4	176.4	-61	87	0	0	0	111.7	F201 D202 G206 F208	F201-W204 HydrophobicContact CB-CB 4.11Å; F201-W204 HydrophobicContact CB-CG 4.24Å; F201-W204 PolarHBondContact O-N 2.76Å; D202-W204 VanDerWaalsContact C-N 3.35Å; W204-G206 PolarHBondContact O-N 2.82Å; W204-F208 HydrophobicContact CB-CD2 4.34Å; W204-F208 HydrophobicContact CD2-CD2 4.22Å; W204-F208 HydrophobicContact CD2-CE2 4.22Å; W204-F208 AromaticContact CE3-CD2 3.84Å; W204-F208 HydrophobicContact CE3-CD2 3.84Å; W204-F208 AromaticContact CE3-CE2 3.42Å; W204-F208 HydrophobicContact CE3-CE2 3.42Å; W204-F208 VanDerWaalsContact CE3-CE2 3.42Å; W204-F208 HydrophobicContact CE3-CZ 4.16Å; W204-F208 HydrophobicContact CG-CD2 4.46Å; W204-F208 HydrophobicContact CZ3-CD2 4.5Å; W204-F208 AromaticContact CZ3-CE2 3.7Å; W204-F208 HydrophobicContact CZ3-CE2 3.7Å; W204-F208 HydrophobicContact CZ3-CZ 4Å
205	R	83.7	Confident	94.7	Very high	206 Å²	206	50.2 Å²	50.2	78%	0.777	25%	0.25	S	S	*	.			trans	-92.5	59.2	-174.3	-66.3	-171.5	176.9	-143.5	-0.3	112.7	A207	R205-A207 PolarHBondContact O-N 3.12Å
206	G	85.3	Confident	94.7	Very high	38 Å²	38	48.1 Å²	48.1	39%	0.392	24%	0.235	S	C	.	.	S	Bend	trans	68.8	-16.3	173.2	0	0	0	0	0	117.1	W204 F208 D209	W204-G206 PolarHBondContact O-N 2.82Å; G206-F208 PolarHBondContact O-N 2.89Å; G206-D209 VanDerWaalsContact CA-CG 3.49Å; G206-D209 WeakPolarHBondContact CA-OD1 3.29Å; G206-D209 WeakPolarHBondContact CA-OD2 3.48Å; G206-D209 WeakPolarHBondContact O-CB 3.34Å; G206-D209 PolarHBondContact O-N 2.89Å; G206-D209 VanDerWaalsContact O-N 3.13Å
207	A	86.3	Confident	94.7	Very high	60 Å²	60	45.4 Å²	45.4	50%	0.496	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-3.6	-173.1	0	0	0	0	0	115	K179 R205	K179-A207 PolarHBondContact NZ-O 3.43Å; R205-A207 PolarHBondContact O-N 3.12Å
208	F	91.5	Very high	94.7	Very high	47 Å²	47	47.5 Å²	47.5	21%	0.206	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	-6.9	178.2	-66.4	-94.8	0	0	0	112.4	K179 F201 W204 G206	K179-F208 HydrophobicContact CB-CD1 4.25Å; K179-F208 HydrophobicContact CB-CE1 4.3Å; K179-F208 HydrophobicContact CD-CD1 3.92Å; K179-F208 HydrophobicContact CD-CE1 4.1Å; K179-F208 HydrophobicContact CG-CD1 4.39Å; F201-F208 HydrophobicContact CB-CB 4.48Å; F201-F208 HydrophobicContact CD2-CB 3.7Å; F201-F208 HydrophobicContact CE2-CB 4.31Å; F201-F208 WeakPolarHBondContact CE2-O 3.48Å; F201-F208 HydrophobicContact CG-CB 4.24Å; W204-F208 HydrophobicContact CB-CD2 4.34Å; W204-F208 HydrophobicContact CD2-CD2 4.22Å; W204-F208 HydrophobicContact CD2-CE2 4.22Å; W204-F208 AromaticContact CE3-CD2 3.84Å; W204-F208 HydrophobicContact CE3-CD2 3.84Å; W204-F208 AromaticContact CE3-CE2 3.42Å; W204-F208 HydrophobicContact CE3-CE2 3.42Å; W204-F208 VanDerWaalsContact CE3-CE2 3.42Å; W204-F208 HydrophobicContact CE3-CZ 4.16Å; W204-F208 HydrophobicContact CG-CD2 4.46Å; W204-F208 HydrophobicContact CZ3-CD2 4.5Å; W204-F208 AromaticContact CZ3-CE2 3.7Å; W204-F208 HydrophobicContact CZ3-CE2 3.7Å; W204-F208 HydrophobicContact CZ3-CZ 4Å; G206-F208 PolarHBondContact O-N 2.89Å
209	D	94.6	Very high	94.7	Very high	51 Å²	51	46 Å²	46	27%	0.273	23%	0.225	S	C	.	.			trans	-67.5	147.3	-173.2	-60.1	6.5	0	0	0	111.1	L198 V199 T200 F201 G206	L198-D209 HydrophobicContact CD1-CB 4.18Å; V199-D209 WeakPolarHBondContact O-CA 3.45Å; V199-D209 WeakPolarHBondContact O-CB 3.21Å; T200-D209 WeakPolarHBondContact CA-OD1 3.3Å; T200-D209 WeakPolarHBondContact CB-OD2 3.45Å; T200-D209 HydrophobicContact CG2-CB 4.39Å; T200-D209 WeakPolarHBondContact CG2-OD2 3.34Å; F201-D209 PolarHBondContact N-OD1 3.38Å; G206-D209 VanDerWaalsContact CA-CG 3.49Å; G206-D209 WeakPolarHBondContact CA-OD1 3.29Å; G206-D209 WeakPolarHBondContact CA-OD2 3.48Å; G206-D209 WeakPolarHBondContact O-CB 3.34Å; G206-D209 PolarHBondContact O-N 2.89Å; G206-D209 VanDerWaalsContact O-N 3.13Å
210	Y	97.8	Very high	94.7	Very high	25 Å²	25	46 Å²	46	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	153.4	178.9	59.6	-102.8	0	0	0	113.1	V176 R178 V199 F201 C212	V176-Y210 VanDerWaalsContact O-CE1 3.3Å; V176-Y210 WeakPolarHBondContact O-CE1 3.37Å; V176-Y210 PolarHBondContact O-OH 3.37Å; R178-Y210 HydrophobicContact CB-CD1 4.21Å; R178-Y210 HydrophobicContact CB-CE1 4.14Å; R178-Y210 HydrophobicContact CG-CD1 4.01Å; R178-Y210 HydrophobicContact CG-CE1 3.66Å; R178-Y210 HydrophobicContact CG-CE2 4.5Å; R178-Y210 VanDerWaalsContact NH1-CD2 3.27Å; V199-Y210 HydrophobicContact CB-CD2 4.25Å; V199-Y210 HydrophobicContact CB-CE2 4.02Å; V199-Y210 HydrophobicContact CG2-CD2 4.31Å; V199-Y210 HydrophobicContact CG2-CE2 3.86Å; V199-Y210 PolarHBondContact N-O 3.12Å; V199-Y210 PolarHBondContact O-N 2.89Å; V199-Y210 VanDerWaalsContact O-N 3.13Å; F201-Y210 AromaticContact CE2-CD1 3.98Å; F201-Y210 HydrophobicContact CE2-CD1 3.98Å; F201-Y210 AromaticContact CE2-CE1 3.65Å; F201-Y210 HydrophobicContact CE2-CE1 3.65Å; F201-Y210 HydrophobicContact CZ-CD1 4.5Å; F201-Y210 AromaticContact CZ-CE1 3.73Å; F201-Y210 HydrophobicContact CZ-CE1 3.73Å; Y210-C212 HydrophobicContact CD2-CB 4.07Å; Y210-C212 HydrophobicContact CE2-CB 4Å
211	W	98.4	Very high	94.8	Very high	76 Å²	76	45.4 Å²	45.4	29%	0.288	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	139	164.8	-70.1	90.6	0	0	0	110.4	R178 E191 R193 E196 V197 L198	R178-W211 PolarHBondContact NH1-O 3.15Å; E191-W211 HydrophobicContact CB-CH2 3.69Å; E191-W211 HydrophobicContact CB-CZ2 4.16Å; E191-W211 HydrophobicContact CG-CH2 3.92Å; E191-W211 HydrophobicContact CG-CZ2 4.48Å; E191-W211 WeakPolarHBondContact OE2-CZ2 3.37Å; R193-W211 HydrophobicContact CB-CH2 4.13Å; R193-W211 HydrophobicContact CB-CZ3 3.87Å; R193-W211 HydrophobicContact CG-CH2 3.57Å; R193-W211 HydrophobicContact CG-CZ3 3.84Å; R193-W211 VanDerWaalsContact CZ-CZ2 3.46Å; E196-W211 HydrophobicContact CB-CE3 3.84Å; E196-W211 HydrophobicContact CB-CZ3 4.3Å; V197-W211 VanDerWaalsContact C-CE3 3.42Å; V197-W211 WeakPolarHBondContact O-CA 3.39Å; L198-W211 HydrophobicContact CB-CD2 4.03Å; L198-W211 HydrophobicContact CB-CE3 4.09Å; L198-W211 HydrophobicContact CB-CH2 3.82Å; L198-W211 HydrophobicContact CB-CZ2 3.75Å; L198-W211 HydrophobicContact CB-CZ3 4Å; L198-W211 HydrophobicContact CD1-CD2 4.47Å; L198-W211 HydrophobicContact CD1-CG 4.47Å; L198-W211 HydrophobicContact CD2-CZ2 4.2Å; L198-W211 HydrophobicContact CG-CZ2 4.41Å
212	C	98.4	Very high	94.9	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163	167.2	68	0	0	0	0	110	E196 V197 Y210	E196-C212 CarbonylContact C-O 3.57Å; E196-C212 VanDerWaalsContact CA-O 3.29Å; E196-C212 WeakPolarHBondContact CA-O 3.09Å; V197-C212 PolarHBondContact N-O 3.36Å; V197-C212 PolarHBondContact O-N 2.98Å; Y210-C212 HydrophobicContact CD2-CB 4.07Å; Y210-C212 HydrophobicContact CE2-CB 4Å
213	R	98.4	Very high	95	Very high	129 Å²	129	47.1 Å²	47.1	49%	0.487	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	153.1	170.8	-69.1	169.1	48.9	112.8	-1.7	110.9	S195 D215 S216	S195-R213 VanDerWaalsContact O-CA 3.27Å; S195-R213 WeakPolarHBondContact O-CA 3.43Å; R213-D215 WeakPolarHBondContact CB-OD1 3.25Å; R213-D215 IonicContact CZ-OD1 3.35Å; R213-D215 IonicContact CZ-OD2 3.13Å; R213-D215 IonicContact NE-OD1 2.92Å; R213-D215 PolarHBondContact NE-OD1 3.47Å; R213-D215 IonicContact NE-OD2 3.45Å; R213-D215 VanDerWaalsContact NH2-CG 3.34Å; R213-D215 IonicContact NH2-OD1 3.22Å; R213-D215 PolarHBondContact NH2-OD1 3.09Å; R213-D215 IonicContact NH2-OD2 2.75Å; R213-D215 PolarHBondContact NH2-OD2 3.07Å; R213-D215 PolarHBondContact O-N 3.02Å; R213-D215 VanDerWaalsContact O-N 3.15Å; R213-S216 WeakPolarHBondContact O-CB 3.45Å; R213-S216 PolarHBondContact O-N 2.97Å
214	F	98.4	Very high	95.4	Very high	14 Å²	14	46.5 Å²	46.5	6%	0.061	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.3	175.9	72.2	-96	0	0	0	113.7	P162 N165 F167 S195 S216	P162-F214 HydrophobicContact CB-CD2 4.14Å; P162-F214 HydrophobicContact CB-CE2 3.91Å; P162-F214 HydrophobicContact CG-CD2 4.19Å; P162-F214 HydrophobicContact CG-CE2 4.27Å; P162-F214 WeakPolarHBondContact O-CE2 3.41Å; N165-F214 HydrophobicContact CB-CB 4.13Å; N165-F214 HydrophobicContact CB-CD1 3.61Å; N165-F214 HydrophobicContact CB-CE1 4.26Å; N165-F214 HydrophobicContact CB-CG 3.96Å; F167-F214 HydrophobicContact CD2-CB 3.89Å; F167-F214 HydrophobicContact CE2-CB 3.98Å; S195-F214 VanDerWaalsContact O-CD1 3.32Å; S195-F214 WeakPolarHBondContact O-CD1 3.49Å; S195-F214 PolarHBondContact O-N 3.13Å; F214-S216 VanDerWaalsContact C-N 3.35Å
215	D	98.3	Very high	95.8	Very high	29 Å²	29	41 Å²	41	16%	0.155	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	15.5	177.6	67.2	-18.5	0	0	0	113.6	K48 R213	K48-D215 HydrophobicContact CB-CB 4.2Å; K48-D215 HydrophobicContact CD-CB 4.18Å; K48-D215 WeakPolarHBondContact CD-O 3.43Å; R213-D215 WeakPolarHBondContact CB-OD1 3.25Å; R213-D215 IonicContact CZ-OD1 3.35Å; R213-D215 IonicContact CZ-OD2 3.13Å; R213-D215 IonicContact NE-OD1 2.92Å; R213-D215 PolarHBondContact NE-OD1 3.47Å; R213-D215 IonicContact NE-OD2 3.45Å; R213-D215 VanDerWaalsContact NH2-CG 3.34Å; R213-D215 IonicContact NH2-OD1 3.22Å; R213-D215 PolarHBondContact NH2-OD1 3.09Å; R213-D215 IonicContact NH2-OD2 2.75Å; R213-D215 PolarHBondContact NH2-OD2 3.07Å; R213-D215 PolarHBondContact O-N 3.02Å; R213-D215 VanDerWaalsContact O-N 3.15Å
216	S	98.5	Very high	96.3	Very high	17 Å²	17	35.8 Å²	35.8	12%	0.119	20%	0.203	C	C	.	.			trans	-59.4	140.4	172.1	179.2	0	0	0	0	112.1	R213 F214 D218 I219	R213-S216 WeakPolarHBondContact O-CB 3.45Å; R213-S216 PolarHBondContact O-N 2.97Å; F214-S216 VanDerWaalsContact C-N 3.35Å; S216-D218 VanDerWaalsContact C-N 3.33Å; S216-D218 PolarHBondContact OG-N 3.01Å; S216-I219 WeakPolarHBondContact O-CG1 3.38Å
217	R	98.4	Very high	96.7	Very high	33 Å²	33	39.7 Å²	39.7	13%	0.125	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-6.9	174.2	-52.6	-50.2	-54.1	-66.5	-3	113.5	K48 Q49 L104 D106 E158 I219 F220	K48-R217 PolarHBondContact O-NE 3Å; Q49-R217 PolarHBondContact NE2-O 2.85Å; Q49-R217 VanDerWaalsContact NE2-O 3.14Å; L104-R217 HydrophobicContact CD1-CB 4.27Å; D106-R217 PolarHBondContact O-NH1 2.96Å; D106-R217 IonicContact OD1-CZ 3.1Å; D106-R217 VanDerWaalsContact OD1-CZ 3.3Å; D106-R217 IonicContact OD1-NH1 3.45Å; D106-R217 PolarHBondContact OD1-NH1 3.49Å; D106-R217 IonicContact OD1-NH2 3.51Å; D106-R217 PolarHBondContact OD1-NH2 3.47Å; D106-R217 IonicContact OD2-NH2 3.11Å; D106-R217 PolarHBondContact OD2-NH2 2.73Å; D106-R217 VanDerWaalsContact OD2-NH2 3.09Å; E158-R217 WeakPolarHBondContact OE1-CD 3.37Å; E158-R217 IonicContact OE1-CZ 2.71Å; E158-R217 IonicContact OE1-NE 3.09Å; E158-R217 IonicContact OE1-NH1 2.71Å; E158-R217 PolarHBondContact OE1-NH1 3.15Å; E158-R217 VanDerWaalsContact OE1-NH1 3.12Å; R217-I219 VanDerWaalsContact C-N 3.28Å; R217-I219 PolarHBondContact O-N 2.99Å; R217-F220 WeakPolarHBondContact O-CZ 3.28Å
218	D	98.4	Very high	97.1	Very high	43 Å²	43	38.4 Å²	38.4	23%	0.23	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.3	177.8	-65	-29.9	0	0	0	113.6	A175 V176 R178 S216	A175-D218 WeakPolarHBondContact CA-O 3.46Å; V176-D218 HydrophobicContact CB-CB 4.2Å; V176-D218 HydrophobicContact CG2-CB 4.3Å; V176-D218 WeakPolarHBondContact CG2-O 3.49Å; V176-D218 PolarHBondContact N-O 3.36Å; R178-D218 IonicContact CZ-OD2 2.71Å; R178-D218 IonicContact NE-OD2 2.84Å; R178-D218 PolarHBondContact NE-OD2 3.33Å; R178-D218 IonicContact NH2-OD2 3.19Å; R178-D218 PolarHBondContact NH2-OD2 3.5Å; S216-D218 VanDerWaalsContact C-N 3.33Å; S216-D218 PolarHBondContact OG-N 3.01Å
219	I	98.8	Very high	97.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143	-174.6	56.6	174.5	0	0	0	111.6	F47 Q49 F167 L173 A175 V199 S216 R217	F47-I219 HydrophobicContact CD1-CB 4.31Å; F47-I219 HydrophobicContact CD1-CD1 4.42Å; F47-I219 HydrophobicContact CD1-CG1 4.11Å; F47-I219 HydrophobicContact CE1-CB 4.21Å; F47-I219 HydrophobicContact CE1-CG1 4.41Å; Q49-I219 WeakPolarHBondContact CG-O 3.49Å; Q49-I219 PolarHBondContact NE2-O 3.27Å; F167-I219 HydrophobicContact CE2-CD1 3.96Å; F167-I219 HydrophobicContact CZ-CD1 3.84Å; L173-I219 HydrophobicContact CD1-CB 3.77Å; L173-I219 HydrophobicContact CD1-CG2 3.66Å; A175-I219 HydrophobicContact CB-CG2 4.08Å; V199-I219 HydrophobicContact CG2-CG2 4Å; S216-I219 WeakPolarHBondContact O-CG1 3.38Å; R217-I219 VanDerWaalsContact C-N 3.28Å; R217-I219 PolarHBondContact O-N 2.99Å
220	F	98.8	Very high	97	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151	-170.3	-52.6	-88.6	0	0	0	111.7	F47 Q49 L104 E174 V176 I184 R217 W224	F47-F220 WeakPolarHBondContact CE1-O 3.27Å; F47-F220 VanDerWaalsContact CZ-C 3.48Å; F47-F220 VanDerWaalsContact CZ-O 3.3Å; F47-F220 WeakPolarHBondContact CZ-O 3.4Å; Q49-F220 HydrophobicContact CG-CD1 3.99Å; L104-F220 HydrophobicContact CD1-CE1 3.82Å; L104-F220 HydrophobicContact CD1-CZ 4.09Å; L104-F220 HydrophobicContact CD2-CE1 3.97Å; L104-F220 HydrophobicContact CD2-CZ 4.24Å; L104-F220 HydrophobicContact CG-CE1 4.43Å; E174-F220 HydrophobicContact CB-CB 4.02Å; E174-F220 PolarHBondContact N-O 3.31Å; E174-F220 PolarHBondContact O-N 2.87Å; V176-F220 HydrophobicContact CG2-CE2 3.96Å; I184-F220 HydrophobicContact CD1-CD2 4.07Å; I184-F220 HydrophobicContact CD1-CE2 3.63Å; I184-F220 HydrophobicContact CD1-CZ 4.22Å; I184-F220 HydrophobicContact CG1-CE2 4.22Å; I184-F220 HydrophobicContact CG2-CD2 4.48Å; R217-F220 WeakPolarHBondContact O-CZ 3.28Å; F220-W224 HydrophobicContact CB-CB 3.73Å; F220-W224 HydrophobicContact CB-CD2 4.29Å; F220-W224 HydrophobicContact CB-CG 3.83Å; F220-W224 AromaticContact CD1-CD1 3.95Å; F220-W224 AromaticContact CD1-CD2 3.48Å; F220-W224 HydrophobicContact CD1-CD2 3.48Å; F220-W224 VanDerWaalsContact CD1-CD2 3.48Å; F220-W224 AromaticContact CD1-CE2 3.56Å; F220-W224 AromaticContact CD1-CE3 3.89Å; F220-W224 HydrophobicContact CD1-CE3 3.89Å; F220-W224 AromaticContact CD1-CG 3.77Å; F220-W224 HydrophobicContact CD1-CG 3.77Å; F220-W224 HydrophobicContact CD1-CH2 4.43Å; F220-W224 HydrophobicContact CD1-CZ2 4.06Å; F220-W224 HydrophobicContact CD1-CZ3 4.36Å; F220-W224 AromaticContact CD1-NE1 3.82Å; F220-W224 HydrophobicContact CE1-CD2 4.01Å; F220-W224 AromaticContact CE1-CE2 3.82Å; F220-W224 HydrophobicContact CE1-CE3 4.14Å; F220-W224 AromaticContact CE1-CH2 3.97Å; F220-W224 HydrophobicContact CE1-CH2 3.97Å; F220-W224 AromaticContact CE1-CZ2 3.81Å; F220-W224 HydrophobicContact CE1-CZ2 3.81Å; F220-W224 HydrophobicContact CE1-CZ3 4.13Å; F220-W224 HydrophobicContact CG-CB 4.43Å; F220-W224 HydrophobicContact CG-CD2 4.04Å; F220-W224 HydrophobicContact CG-CE3 4.25Å; F220-W224 HydrophobicContact CG-CG 4.11Å
221	P	98.6	Very high	96.4	Very high	17 Å²	17	39.8 Å²	39.8	11%	0.11	22%	0.224	C	C	.	.			trans	-63.7	155.5	171.8	28	-34.6	0	0	0	111.7	V44 F47 G223 W224	V44-P221 HydrophobicContact CG1-CB 3.93Å; V44-P221 HydrophobicContact CG1-CG 4.28Å; F47-P221 HydrophobicContact CD2-CB 3.98Å; F47-P221 HydrophobicContact CD2-CG 4.44Å; F47-P221 HydrophobicContact CE2-CB 3.78Å; F47-P221 HydrophobicContact CZ-CB 4.33Å; P221-G223 PolarHBondContact O-N 2.89Å; P221-W224 HydrophobicContact CG-CB 4.35Å; P221-W224 VanDerWaalsContact O-CB 3.32Å; P221-W224 WeakPolarHBondContact O-CB 3.36Å; P221-W224 PolarHBondContact O-N 2.88Å
222	V	98.4	Very high	96.2	Very high	36 Å²	36	37.8 Å²	37.8	22%	0.218	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	127.2	173.2	160	0	0	0	0	110.8	W30 L34 P41	W30-V222 HydrophobicContact CB-CG1 3.7Å; W30-V222 HydrophobicContact CD2-CB 4.32Å; W30-V222 HydrophobicContact CD2-CG1 3.53Å; W30-V222 HydrophobicContact CD2-CG2 4.06Å; W30-V222 HydrophobicContact CE3-CG1 3.94Å; W30-V222 HydrophobicContact CE3-CG2 3.94Å; W30-V222 HydrophobicContact CG-CG1 3.45Å; W30-V222 VanDerWaalsContact CG-CG1 3.45Å; W30-V222 HydrophobicContact CH2-CG2 3.87Å; W30-V222 HydrophobicContact CZ2-CG2 3.99Å; W30-V222 HydrophobicContact CZ3-CG2 3.84Å; L34-V222 HydrophobicContact CD1-CG1 4.34Å; P41-V222 HydrophobicContact CB-CB 3.82Å; P41-V222 HydrophobicContact CB-CG1 4.32Å; P41-V222 HydrophobicContact CB-CG2 3.74Å
223	G	96.3	Very high	95.9	Very high	23 Å²	23	40.5 Å²	40.5	24%	0.237	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	-2.5	-179.4	0	0	0	0	0	115	E174 P221 C225 S226 L227	E174-G223 WeakPolarHBondContact OE1-CA 3.22Å; E174-G223 PolarHBondContact OE1-N 3.21Å; P221-G223 PolarHBondContact O-N 2.89Å; G223-C225 PolarHBondContact O-N 3.17Å; G223-S226 PolarHBondContact O-N 3.09Å; G223-L227 PolarHBondContact O-N 2.79Å
224	W	97.8	Very high	95.4	Very high	9 Å²	9	38.2 Å²	38.2	3%	0.034	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-47.5	-176.6	-170.7	97.9	0	0	0	112.4	A86 L104 E174 I184 F220 P221 S226 L227 T228 D230	A86-W224 HydrophobicContact CB-CH2 3.84Å; A86-W224 HydrophobicContact CB-CZ2 4.02Å; L104-W224 HydrophobicContact CD2-CH2 3.61Å; L104-W224 HydrophobicContact CD2-CZ2 3.75Å; E174-W224 PolarHBondContact OE2-N 3.46Å; I184-W224 HydrophobicContact CD1-CZ3 4.45Å; F220-W224 HydrophobicContact CB-CB 3.73Å; F220-W224 HydrophobicContact CB-CD2 4.29Å; F220-W224 HydrophobicContact CB-CG 3.83Å; F220-W224 AromaticContact CD1-CD1 3.95Å; F220-W224 AromaticContact CD1-CD2 3.48Å; F220-W224 HydrophobicContact CD1-CD2 3.48Å; F220-W224 VanDerWaalsContact CD1-CD2 3.48Å; F220-W224 AromaticContact CD1-CE2 3.56Å; F220-W224 AromaticContact CD1-CE3 3.89Å; F220-W224 HydrophobicContact CD1-CE3 3.89Å; F220-W224 AromaticContact CD1-CG 3.77Å; F220-W224 HydrophobicContact CD1-CG 3.77Å; F220-W224 HydrophobicContact CD1-CH2 4.43Å; F220-W224 HydrophobicContact CD1-CZ2 4.06Å; F220-W224 HydrophobicContact CD1-CZ3 4.36Å; F220-W224 AromaticContact CD1-NE1 3.82Å; F220-W224 HydrophobicContact CE1-CD2 4.01Å; F220-W224 AromaticContact CE1-CE2 3.82Å; F220-W224 HydrophobicContact CE1-CE3 4.14Å; F220-W224 AromaticContact CE1-CH2 3.97Å; F220-W224 HydrophobicContact CE1-CH2 3.97Å; F220-W224 AromaticContact CE1-CZ2 3.81Å; F220-W224 HydrophobicContact CE1-CZ2 3.81Å; F220-W224 HydrophobicContact CE1-CZ3 4.13Å; F220-W224 HydrophobicContact CG-CB 4.43Å; F220-W224 HydrophobicContact CG-CD2 4.04Å; F220-W224 HydrophobicContact CG-CE3 4.25Å; F220-W224 HydrophobicContact CG-CG 4.11Å; P221-W224 HydrophobicContact CG-CB 4.35Å; P221-W224 VanDerWaalsContact O-CB 3.32Å; P221-W224 WeakPolarHBondContact O-CB 3.36Å; P221-W224 PolarHBondContact O-N 2.88Å; W224-S226 VanDerWaalsContact C-N 3.29Å; W224-S226 PolarHBondContact O-N 3.28Å; W224-L227 PolarHBondContact O-N 2.82Å; W224-L227 VanDerWaalsContact O-N 3.07Å; W224-T228 HydrophobicContact CD2-CG2 4.02Å; W224-T228 HydrophobicContact CE3-CG2 4.09Å; W224-T228 HydrophobicContact CH2-CG2 3.78Å; W224-T228 HydrophobicContact CZ2-CG2 3.7Å; W224-T228 HydrophobicContact CZ3-CG2 3.97Å; W224-T228 VanDerWaalsContact CZ3-OG1 3.26Å; W224-T228 WeakPolarHBondContact CZ3-OG1 3.42Å; W224-T228 PolarHBondContact O-N 3.08Å; W224-T228 PolarHBondContact O-OG1 2.97Å; W224-D230 HydrophobicContact CZ3-CB 4.08Å
225	C	96.3	Very high	94.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-41.6	176.3	-81.1	0	0	0	0	112.6	E174 I184 G223 L227 T228 G229 D230 L232	E174-C225 WeakPolarHBondContact OE2-CB 3.47Å; E174-C225 PolarHBondContact OE2-N 2.85Å; E174-C225 PolarHBondContact OE2-SG 2.86Å; E174-C225 VanDerWaalsContact OE2-SG 3.33Å; I184-C225 VanDerWaalsContact CG2-SG 3.57Å; G223-C225 PolarHBondContact O-N 3.17Å; C225-L227 VanDerWaalsContact C-N 3.34Å; C225-T228 PolarHBondContact O-N 3.31Å; C225-T228 PolarHBondContact O-OG1 3.16Å; C225-G229 PolarHBondContact O-N 2.61Å; C225-D230 HydrophobicContact CB-CB 4.14Å; C225-D230 WeakPolarHBondContact CB-O 3.25Å; C225-D230 PolarHBondContact O-N 2.91Å; C225-L232 HydrophobicContact CB-CB 3.75Å
226	S	94.1	Very high	94.1	Very high	98 Å²	98	38.3 Å²	38.3	69%	0.685	24%	0.239	S	C	*	.	H	α-helix	trans	-67.2	-33.9	177.2	-57.3	0	0	0	0	112.6	G223 W224	G223-S226 PolarHBondContact O-N 3.09Å; W224-S226 VanDerWaalsContact C-N 3.29Å; W224-S226 PolarHBondContact O-N 3.28Å
227	L	95.1	Very high	92.7	Very high	120 Å²	120	44.7 Å²	44.7	63%	0.628	28%	0.278	S	S	*	.	H	α-helix	trans	-74.1	-26.3	177.7	-175	59.4	0	0	0	112.8	P53 G223 W224 C225	P53-L227 HydrophobicContact CG-CD2 3.69Å; P53-L227 HydrophobicContact CG-CG 3.96Å; G223-L227 PolarHBondContact O-N 2.79Å; W224-L227 PolarHBondContact O-N 2.82Å; W224-L227 VanDerWaalsContact O-N 3.07Å; C225-L227 VanDerWaalsContact C-N 3.34Å
228	T	94.6	Very high	90.3	Very high	32 Å²	32	50.6 Å²	50.6	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-103.7	-17.4	-178.6	58.3	0	0	0	0	115.7	P53 G85 A86 W224 C225	P53-T228 HydrophobicContact CB-CG2 3.39Å; P53-T228 HydrophobicContact CG-CG2 3.63Å; G85-T228 WeakPolarHBondContact CA-O 3.46Å; A86-T228 HydrophobicContact CB-CG2 4.41Å; W224-T228 HydrophobicContact CD2-CG2 4.02Å; W224-T228 HydrophobicContact CE3-CG2 4.09Å; W224-T228 HydrophobicContact CH2-CG2 3.78Å; W224-T228 HydrophobicContact CZ2-CG2 3.7Å; W224-T228 HydrophobicContact CZ3-CG2 3.97Å; W224-T228 VanDerWaalsContact CZ3-OG1 3.26Å; W224-T228 WeakPolarHBondContact CZ3-OG1 3.42Å; W224-T228 PolarHBondContact O-N 3.08Å; W224-T228 PolarHBondContact O-OG1 2.97Å; C225-T228 PolarHBondContact O-N 3.31Å; C225-T228 PolarHBondContact O-OG1 3.16Å
229	G	91.6	Very high	87.7	Confident	55 Å²	55	51.7 Å²	51.7	57%	0.567	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	40.1	-167.2	0	0	0	0	0	113.1	G85 C225	G85-G229 PolarHBondContact N-O 3.26Å; G85-G229 VanDerWaalsContact N-O 3.11Å; C225-G229 PolarHBondContact O-N 2.61Å
230	D	91.3	Very high	84.8	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.053	35%	0.352	C	S	.	.			trans	-102.1	155.8	171.6	-156.1	-38.1	0	0	0	110.6	T84 R87 W224 C225 L232	T84-D230 WeakPolarHBondContact CG2-OD1 3.42Å; R87-D230 IonicContact CZ-OD1 3.12Å; R87-D230 IonicContact CZ-OD2 2.71Å; R87-D230 IonicContact NE-OD1 3.97Å; R87-D230 IonicContact NE-OD2 3.02Å; R87-D230 PolarHBondContact NE-OD2 3.4Å; R87-D230 IonicContact NH2-OD1 3.89Å; R87-D230 PolarHBondContact NH2-OD1 2.74Å; R87-D230 IonicContact NH2-OD2 2.71Å; R87-D230 PolarHBondContact NH2-OD2 3.11Å; W224-D230 HydrophobicContact CZ3-CB 4.08Å; C225-D230 HydrophobicContact CB-CB 4.14Å; C225-D230 WeakPolarHBondContact CB-O 3.25Å; C225-D230 PolarHBondContact O-N 2.91Å; D230-L232 PolarHBondContact O-N 2.71Å; D230-L232 VanDerWaalsContact O-N 3.15Å
231	N	86.4	Confident	82.1	Confident	87 Å²	87	62.8 Å²	62.8	47%	0.465	38%	0.375	S	S	.	.			trans	-91.7	75.4	-164.9	-73.2	-30.8	0	0	0	113	Q233	N231-Q233 PolarHBondContact O-N 2.84Å; N231-Q233 PolarHBondContact O-NE2 2.75Å; N231-Q233 VanDerWaalsContact O-NE2 3.1Å
232	L	93	Very high	79	Confident	34 Å²	34	67 Å²	67	18%	0.178	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-57.8	121.8	172	-171.2	65.6	0	0	0	111.5	F28 W30 E174 I184 P186 C225 D230	F28-L232 HydrophobicContact CD1-CD2 3.98Å; F28-L232 HydrophobicContact CE1-CD2 3.68Å; W30-L232 HydrophobicContact CZ2-CD2 4.46Å; W30-L232 VanDerWaalsContact NE1-CD2 3.35Å; E174-L232 HydrophobicContact CG-CD1 3.77Å; I184-L232 HydrophobicContact CG2-CD1 4.04Å; I184-L232 WeakPolarHBondContact O-CA 3.49Å; P186-L232 HydrophobicContact CG-CD1 4.32Å; C225-L232 HydrophobicContact CB-CB 3.75Å; D230-L232 PolarHBondContact O-N 2.71Å; D230-L232 VanDerWaalsContact O-N 3.15Å
233	Q	91.9	Very high	76	Confident	63 Å²	63	74.3 Å²	74.3	29%	0.294	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-79.5	144.5	172.4	-59.7	-54.1	-73.6	0	0	110.9	F183 I184 P186 N231	F183-Q233 HydrophobicContact CB-CG 3.82Å; F183-Q233 VanDerWaalsContact CD1-CD 3.49Å; F183-Q233 HydrophobicContact CD1-CG 3.52Å; F183-Q233 HydrophobicContact CE1-CG 4.26Å; F183-Q233 HydrophobicContact CG-CG 3.79Å; I184-Q233 PolarHBondContact O-N 3.11Å; P186-Q233 WeakPolarHBondContact CD-O 3.49Å; N231-Q233 PolarHBondContact O-N 2.84Å; N231-Q233 PolarHBondContact O-NE2 2.75Å; N231-Q233 VanDerWaalsContact O-NE2 3.1Å
234	P	88.6	Confident	73.2	Confident	81 Å²	81	80.4 Å²	80.4	53%	0.526	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-67.2	159.1	169.9	30.1	-35.2	0	0	0	111.4	F28	F28-P234 HydrophobicContact CB-CB 4.36Å
235	P	87.6	Confident	70.7	Confident	32 Å²	32	84.7 Å²	84.7	21%	0.208	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-53.8	148.7	175	-26.4	34.9	0	0	0	113.4	F28 Y33 P186 D202 T237	F28-P235 VanDerWaalsContact CD2-CD 3.48Å; F28-P235 HydrophobicContact CD2-CG 4.19Å; F28-P235 VanDerWaalsContact CE2-CD 3.49Å; F28-P235 HydrophobicContact CE2-CG 3.73Å; Y33-P235 HydrophobicContact CD2-CG 4.44Å; Y33-P235 HydrophobicContact CE1-CG 4.04Å; Y33-P235 HydrophobicContact CE2-CG 3.86Å; P186-P235 HydrophobicContact CB-CG 4.22Å; P186-P235 HydrophobicContact CG-CG 4.12Å; D202-P235 HydrophobicContact CB-CB 4.17Å; P235-T237 PolarHBondContact O-N 3.2Å
236	G	80.8	Confident	67.7	Low	13 Å²	13	94.9 Å²	94.9	13%	0.134	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-60.5	131.4	-176.5	0	0	0	0	0	112.9	D202 G203 K238	D202-G236 PolarHBondContact O-N 2.86Å; G203-G236 VanDerWaalsContact CA-O 3.27Å; G203-G236 WeakPolarHBondContact CA-O 3.48Å; G236-K238 PolarHBondContact O-N 3.41Å
237	T	69.4	Low	64.9	Low	151 Å²	151	96.3 Å²	96.3	93%	0.926	53%	0.534	S	S	*	.	S	Bend	trans	-71.8	18.1	-176.5	-14.2	0	0	0	0	114.3	P235	P235-T237 PolarHBondContact O-N 3.2Å
238	K	49.4	Very low	61.8	Low	156 Å²	156	95.1 Å²	95.1	68%	0.678	54%	0.542	S	S	*	.	S	Bend	trans	-126.3	32.8	-162	-73.1	-167.4	177	-179.3	0	116	G236	G236-K238 PolarHBondContact O-N 3.41Å
239	V	42.3	Very low	58.9	Low	66 Å²	66	98.2 Å²	98.2	40%	0.4	57%	0.565	S	S	.	*			trans	-162.7	144.1	149	127.6	0	0	0	0	111.4	I241	V239-I241 PolarHBondContact O-N 2.91Å
240	V	37.6	Very low	55.9	Low	138 Å²	138	103.8 Å²	103.8	84%	0.836	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-70.8	117.8	165	173.7	0	0	0	0	107.7	P242	V240-P242 VanDerWaalsContact O-CD 3.27Å; V240-P242 WeakPolarHBondContact O-CD 3.48Å
241	I	42.4	Very low	53	Low	96 Å²	96	108.7 Å²	108.7	49%	0.492	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-57.3	118.9	-179.6	-57.4	179.1	0	0	0	109.2	T37 V239 K243	T37-I241 HydrophobicContact CG2-CD1 3.88Å; V239-I241 PolarHBondContact O-N 2.91Å; I241-K243 PolarHBondContact O-N 3.44Å
242	P	34.1	Very low	50.3	Low	107 Å²	107	111.5 Å²	111.5	70%	0.695	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-64.1	125.2	171.9	-18.6	32.4	0	0	0	109.3	V240	V240-P242 VanDerWaalsContact O-CD 3.27Å; V240-P242 WeakPolarHBondContact O-CD 3.48Å
243	K	36.2	Very low	47.2	Very low	188 Å²	188	115.4 Å²	115.4	82%	0.817	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-80.6	143.5	170.3	-70.9	-171.5	174	-173.7	0	109.8	I241	I241-K243 PolarHBondContact O-N 3.44Å
244	N	37	Very low	44.3	Very low	151 Å²	151	120.8 Å²	120.8	81%	0.807	68%	0.678	S	S	*	*			trans	69.8	130.1	-178.4	-69.5	24	0	0	0	117.7
245	P	45.7	Very low	41.6	Very low	100 Å²	100	126.4 Å²	126.4	65%	0.649	69%	0.694	S	S	*	*			trans	-84	170.6	150.7	35.7	-31	0	0	0	111.6
246	Y	33.3	Very low	39	Very low	215 Å²	215	130.8 Å²	130.8	84%	0.843	72%	0.722	S	S	*	*			trans	72.4	124.8	177.8	-56	-75	0	0	0	117.3
247	P	34.3	Very low	36.3	Very low	127 Å²	127	136 Å²	136	83%	0.825	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-77.5	130.1	161.1	32.5	-30.4	0	0	0	109.6
248	A	29.8	Very low	34.4	Very low	96 Å²	96	135.3 Å²	135.3	79%	0.793	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-74.7	138.1	166.5	0	0	0	0	0	109.5
249	S	33.5	Very low	33.5	Very low	97 Å²	97	136.3 Å²	136.3	68%	0.678	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-74.9	133.5	167.5	52.2	0	0	0	0	110.1	V251	S249-V251 PolarHBondContact O-N 3.3Å
250	D	30.3	Very low	32.8	Very low	171 Å²	171	138 Å²	138	91%	0.914	77%	0.768	S	S	*	*			trans	-60.6	106.6	175.4	-67.4	-62.3	0	0	0	111.5
251	V	30.1	Very low	32.3	Very low	114 Å²	114	136.5 Å²	136.5	69%	0.691	76%	0.763	S	S	*	*			trans	-114	92	168.8	-179.9	0	0	0	0	107.5	S249 T253	S249-V251 PolarHBondContact O-N 3.3Å; V251-T253 PolarHBondContact O-N 2.81Å; V251-T253 PolarHBondContact O-OG1 3.19Å
252	N	28.6	Very low	31.7	Very low	145 Å²	145	138.7 Å²	138.7	78%	0.775	78%	0.781	S	S	*	*			trans	-62.6	132.9	179.1	-168.5	19.4	0	0	0	110.3
253	T	29.3	Very low	31.6	Very low	117 Å²	117	142.4 Å²	142.4	72%	0.718	79%	0.786	S	S	*	*			trans	-121.6	91.2	-172.5	-58.5	0	0	0	0	110.6	V251	V251-T253 PolarHBondContact O-N 2.81Å; V251-T253 PolarHBondContact O-OG1 3.19Å
254	E	30.9	Very low	31.1	Very low	176 Å²	176	139.7 Å²	139.7	82%	0.822	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-95.1	151.7	162.4	-67.3	-164.1	127.4	0	0	110.7
255	K	31.2	Very low	30.7	Very low	199 Å²	199	138.1 Å²	138.1	87%	0.865	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-95.4	157.4	-177.2	-97.2	-174.1	175.5	-178.8	0	112.1
256	P	32.6	Very low	29.8	Very low	124 Å²	124	140.7 Å²	140.7	81%	0.805	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-80.2	151.5	-158.6	31.2	-37.1	0	0	0	114.6
257	S	23.6	Very low	29.5	Very low	123 Å²	123	137.5 Å²	137.5	86%	0.86	78%	0.782	S	S	*	*			trans	-124.3	159.5	158.3	-172.2	0	0	0	0	109.1
258	I	31.1	Very low	29.3	Very low	136 Å²	136	139.1 Å²	139.1	70%	0.697	78%	0.778	S	S	*	*			trans	-117.9	145.7	-164.1	-45.4	178.5	0	0	0	111.2
259	H	30.1	Very low	29.2	Very low	177 Å²	177	142.7 Å²	142.7	82%	0.819	78%	0.778	S	S	*	*			trans	112.7	137.8	156.1	-67.3	-79.3	0	0	0	120.1
260	S	27	Very low	29.7	Very low	102 Å²	102	143.6 Å²	143.6	71%	0.713	78%	0.781	S	S	*	*			trans	73.6	79.6	144.1	-161.6	0	0	0	0	121.4
261	S	26.7	Very low	29.7	Very low	105 Å²	105	139.1 Å²	139.1	73%	0.734	78%	0.776	S	S	*	*				12.9	126.5	125.4	54	0	0	0	0	121.5
262	T	30.7	Very low	29.7	Very low	143 Å²	143	140.9 Å²	140.9	88%	0.877	78%	0.777	S	S	*	*			trans	-155.4	126.9	130.2	12.7	0	0	0	0	115.2
263	K	31.1	Very low	29.7	Very low	184 Å²	184	145 Å²	145	80%	0.8	78%	0.781	S	S	*	*			trans	2.7	137.5	154.6	-71.6	-176	172.8	-178.3	0	124.2
264	T	27	Very low	29.7	Very low	131 Å²	131	143.3 Å²	143.3	80%	0.804	79%	0.787	S	S	*	*			trans	65.2	159.1	137.8	60.7	0	0	0	0	118.5
265	V	27.7	Very low	29.7	Very low	119 Å²	119	147.2 Å²	147.2	72%	0.721	79%	0.794	S	S	*	*			cis	-138.7	136.8	15.9	-177.7	0	0	0	0	106
266	L	28	Very low	29.9	Very low	154 Å²	154	147.1 Å²	147.1	81%	0.806	79%	0.794	S	S	*	*				40.5	135.8	98.3	-79.4	167.7	0	0	0	114
267	E	25.1	Very low	30.6	Very low	148 Å²	148	147.4 Å²	147.4	69%	0.692	80%	0.795	S	S	*	*			cis	-161.9	165.5	27.9	-116.5	-178	134.3	0	0	115.6
268	H	30.7	Very low	31	Very low	160 Å²	160	145.2 Å²	145.2	74%	0.741	79%	0.792	S	S	*	*			trans	68.2	136.2	146.3	-84.3	76.9	0	0	0	125.9
269	Q	28.3	Very low	31.3	Very low	171 Å²	171	148.6 Å²	148.6	80%	0.799	80%	0.802	S	S	*	*			trans	-101.5	-160.5	153	-43.4	-179.1	13.2	0	0	108.6
270	P	44.6	Very low	31.3	Very low	116 Å²	116	150.6 Å²	150.6	75%	0.753	81%	0.808	S	S	*	*			cis	-131.3	177.6	-18.5	29.3	-7	0	0	0	114.8
271	G	28.5	Very low	31.5	Very low	77 Å²	77	157.9 Å²	157.9	79%	0.794	82%	0.82	S	S	*	*			trans	-144.5	145	171.3	0	0	0	0	0	112.9
272	Q	31.1	Very low	31.6	Very low	152 Å²	152	156.4 Å²	156.4	71%	0.71	82%	0.822	S	S	*	*			trans	-122.1	150.9	-165.4	-82.1	-162.7	30.1	0	0	115.9
273	R	28.1	Very low	31.6	Very low	232 Å²	232	160.6 Å²	160.6	88%	0.875	82%	0.822	S	S	*	*			trans	64.9	127.8	150.4	-67.8	165.7	-167.3	-161.9	2.1	119.8
274	G	29.9	Very low	31.8	Very low	81 Å²	81	157.9 Å²	157.9	84%	0.835	82%	0.821	S	S	*	*			trans	-159.1	148.3	160.4	0	0	0	0	0	111.2
275	R	31.6	Very low	32.6	Very low	257 Å²	257	157.8 Å²	157.8	97%	0.97	82%	0.822	S	S	*	*			trans	-109.2	153.8	-175.2	-80.9	178.8	168.2	169.5	-4.8	113.1
276	K	34.3	Very low	32.9	Very low	197 Å²	197	161.2 Å²	161.2	86%	0.857	83%	0.827	S	S	*	*			trans	-76.9	-174.6	166	-37.7	177	179.4	178	0	110.2
277	P	48	Very low	32.9	Very low	130 Å²	130	160.5 Å²	160.5	84%	0.844	83%	0.83	S	S	*	*			cis	-135.1	-179.3	-11.6	38.3	-20.1	0	0	0	114.8
278	G	30.9	Very low	33.1	Very low	77 Å²	77	160.6 Å²	160.6	79%	0.794	83%	0.834	S	S	*	*			trans	-148.8	145.8	166	0	0	0	0	0	113.4
279	K	37	Very low	33.2	Very low	208 Å²	208	160.6 Å²	160.6	90%	0.904	84%	0.838	S	S	*	*			trans	-135.8	146.8	177.8	-84.6	-176.5	176.2	176	0	110.9
280	K	31	Very low	33.2	Very low	218 Å²	218	157.3 Å²	157.3	95%	0.948	83%	0.833	S	S	*	*			trans	-164.8	168.2	139.6	-108.3	163.9	-173.7	-179.3	0	111.7
281	R	32	Very low	32.5	Very low	255 Å²	255	160.7 Å²	160.7	96%	0.962	84%	0.839	S	S	*	*			trans	-120.1	153.3	-177.8	-76.4	171.7	156.4	178.1	-7.8	109.6
282	G	28.7	Very low	33.2	Very low	75 Å²	75	163.1 Å²	163.1	77%	0.773	84%	0.841	S	S	*	*			trans	154.1	95	148	0	0	0	0	0	121.7
283	R	31.1	Very low	33.2	Very low	231 Å²	231	164 Å²	164	87%	0.872	85%	0.848	S	S	*	*				66.9	94.7	116.9	-156	-177.3	-168.3	-179.5	4.7	122.9
284	T	34.6	Very low	33.2	Very low	127 Å²	127	158.7 Å²	158.7	78%	0.779	85%	0.847	S	S	*	*			trans	65.8	170.9	140.1	65.9	0	0	0	0	119.4
285	P	43.2	Very low	33.3	Very low	128 Å²	128	159.3 Å²	159.3	83%	0.831	84%	0.844	S	S	*	*			cis	-131.6	-150.6	5.7	44.8	-25.7	0	0	0	116.2
286	K	33.6	Very low	33.9	Very low	192 Å²	192	152.9 Å²	152.9	84%	0.835	84%	0.836	S	S	*	*			trans	-83.2	166.8	-170	-58.5	173.2	175.3	177.4	0	115.4
287	T	29.2	Very low	33.7	Very low	139 Å²	139	149.1 Å²	149.1	85%	0.853	83%	0.834	S	S	*	*			trans	-134.5	156.5	155.8	-38.9	0	0	0	0	110.7
288	L	29.7	Very low	32.9	Very low	149 Å²	149	152.1 Å²	152.1	78%	0.78	83%	0.834	S	S	*	*			trans	-111.2	162.2	175.5	-73.1	84.7	0	0	0	111.7
289	I	31.5	Very low	32.7	Very low	161 Å²	161	154.6 Å²	154.6	83%	0.826	83%	0.834	S	S	*	*			trans	173.1	100.3	150.9	-94.8	151.9	0	0	0	105.4
290	S	28.4	Very low	32.4	Very low	101 Å²	101	149.3 Å²	149.3	71%	0.706	83%	0.829	S	S	*	*				86.9	111.8	66.6	71.4	0	0	0	0	113.9
291	H	29.6	Very low	32.4	Very low	188 Å²	188	147.9 Å²	147.9	87%	0.87	83%	0.826	S	S	*	*			trans	-87.3	144.3	175	-62.6	-89.2	0	0	0	112
292	P	43.8	Very low	32.6	Very low	128 Å²	128	140.5 Å²	140.5	83%	0.831	81%	0.811	S	S	*	*			trans	-81.3	157	163.7	-7.4	25.6	0	0	0	112.5
293	I	30.6	Very low	32.8	Very low	169 Å²	169	145 Å²	145	87%	0.867	82%	0.816	S	S	*	*			trans	-109.5	138.9	174	-64.7	166.2	0	0	0	108.9
294	S	29.2	Very low	32.7	Very low	121 Å²	121	143.6 Å²	143.6	85%	0.846	82%	0.817	S	S	*	*			trans	-155.2	142.8	156	61.3	0	0	0	0	114.1
295	A	32	Very low	32.6	Very low	94 Å²	94	146.8 Å²	146.8	78%	0.777	82%	0.82	S	S	*	*			trans	-165.1	179.1	169.1	0	0	0	0	0	106.1
296	P	43.8	Very low	32.3	Very low	122 Å²	122	146.5 Å²	146.5	79%	0.792	82%	0.818	S	S	*	*			cis	-130.4	166.4	-13.4	39.8	-25.7	0	0	0	113.9
297	S	30.8	Very low	32.3	Very low	118 Å²	118	146.9 Å²	146.9	83%	0.825	82%	0.82	S	S	*	*			trans	-159.1	105.9	160.4	43.8	0	0	0	0	116.7
298	K	30.2	Very low	32.4	Very low	194 Å²	194	150.3 Å²	150.3	84%	0.843	82%	0.823	S	S	*	*			trans	34.4	109.3	137.9	-71.9	-176.6	175.6	-179.3	0	123.1
299	T	27.2	Very low	32.6	Very low	129 Å²	129	155 Å²	155	79%	0.791	83%	0.83	S	S	*	*				60.1	134.4	122.5	59.5	0	0	0	0	124.4
300	A	29.8	Very low	32.8	Very low	97 Å²	97	150.5 Å²	150.5	80%	0.802	82%	0.823	S	S	*	*			trans	69.4	150.4	160.2	0	0	0	0	0	117.6
301	E	31.8	Very low	33.2	Very low	187 Å²	187	151.9 Å²	151.9	87%	0.874	83%	0.829	S	S	*	*			cis	-138.1	-154	4.6	-138	-157	-178.5	0	0	111.7
302	P	35.8	Very low	33.5	Very low	101 Å²	101	152.8 Å²	152.8	66%	0.656	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-101.4	157.4	-143.5	40.7	-30.7	0	0	0	116.7
303	L	32.7	Very low	33.1	Very low	170 Å²	170	152.9 Å²	152.9	89%	0.89	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75.3	141.9	172.7	-71.4	170.8	0	0	0	112.5
304	K	30	Very low	33.3	Very low	201 Å²	201	148.9 Å²	148.9	87%	0.874	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-83.1	128.9	-168.9	-66.6	171.8	-179.6	172.1	0	112.9
305	F	32.4	Very low	33.6	Very low	194 Å²	194	148 Å²	148	85%	0.851	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.9	130.1	171.3	-75.2	-94.2	0	0	0	112.7	K307	F305-K307 PolarHBondContact O-N 3.11Å
306	P	36.1	Very low	33.7	Very low	122 Å²	122	153.8 Å²	153.8	79%	0.792	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-66.4	118.8	157.1	-17.1	31.9	0	0	0	109.6	K308	P306-K308 PolarHBondContact O-N 2.82Å
307	K	33.5	Very low	33.2	Very low	200 Å²	200	158.4 Å²	158.4	87%	0.87	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-68.2	117.9	-177.7	-70	-177.3	177.6	180	0	111.2	F305 R309	F305-K307 PolarHBondContact O-N 3.11Å; K307-R309 PolarHBondContact O-N 2.71Å
308	K	31.7	Very low	33.4	Very low	211 Å²	211	161.8 Å²	161.8	92%	0.917	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-55.9	124.8	163.1	-67.4	-177.8	178.6	-179.5	0	108.8	P306	P306-K308 PolarHBondContact O-N 2.82Å
309	R	33.4	Very low	33.9	Very low	248 Å²	248	158.6 Å²	158.6	94%	0.936	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-76.8	130.6	167.3	-74	-174.8	174.6	-177.3	-1.5	108.7	K307	K307-R309 PolarHBondContact O-N 2.71Å
310	G	36.3	Very low	34.1	Very low	65 Å²	65	163.6 Å²	163.6	67%	0.67	84%	0.838	S	S	*	*			trans	-76.6	176	179.2	0	0	0	0	0	113.8
311	P	37.5	Very low	34.2	Very low	130 Å²	130	165.4 Å²	165.4	84%	0.844	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-68.5	149.4	-176.9	-17	31.5	0	0	0	113.2
312	K	34.3	Very low	34.2	Very low	208 Å²	208	164 Å²	164	90%	0.904	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-83.1	132	163.6	-85.6	-172.5	171.8	-175.8	0	110.3
313	P	35.2	Very low	34.3	Very low	130 Å²	130	166.4 Å²	166.4	84%	0.844	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-86.2	162.6	173.4	35.7	-35.2	0	0	0	112.1
314	G	35.5	Very low	34.2	Very low	84 Å²	84	166 Å²	166	87%	0.866	84%	0.842	S	S	*	*			trans	140.5	65.3	166.2	0	0	0	0	0	116
315	S	35.3	Very low	34.8	Very low	104 Å²	104	161.7 Å²	161.7	73%	0.727	84%	0.835	S	S	*	*			trans	-93.8	147.4	171.6	64	0	0	0	0	112.2
316	K	33.8	Very low	35.6	Very low	214 Å²	214	158 Å²	158	93%	0.93	83%	0.83	S	S	*	*			trans	-113.7	143.1	155	-76.5	-168.4	174.7	-176.5	0	109.6
317	R	34	Very low	35.6	Very low	220 Å²	220	158.5 Å²	158.5	83%	0.83	83%	0.834	S	S	*	*			trans	-100.6	178.8	178	-61.8	170	162.7	171.3	-8.6	108.5
318	K	35.1	Very low	35.5	Very low	189 Å²	189	153.8 Å²	153.8	82%	0.822	83%	0.832	S	S	*	*			cis	-165.5	-170.7	21.9	-133.5	170.3	177.3	-169.7	0	105.1
319	P	39.7	Very low	35.6	Very low	126 Å²	126	149.5 Å²	149.5	82%	0.818	83%	0.829	S	S	*	*			cis	-127.7	-147.8	-3.1	40.8	-20	0	0	0	114.4
320	R	33.2	Very low	35.9	Very low	235 Å²	235	143.3 Å²	143.3	89%	0.887	82%	0.82	S	S	*	*			trans	-156.1	138.3	-159.4	176.8	-167.2	-169.9	-177.5	5.9	112.8
321	T	31.2	Very low	35.6	Very low	134 Å²	134	146.3 Å²	146.3	82%	0.822	83%	0.826	S	S	*	*			trans	-159.5	139	175.7	-52.3	0	0	0	0	108.2
322	L	31.6	Very low	35.4	Very low	159 Å²	159	146.5 Å²	146.5	83%	0.832	83%	0.825	S	S	*	*			cis	-147.6	-139.1	-28.7	-138	175.5	0	0	0	108.2
323	L	38.1	Very low	35.2	Very low	151 Å²	151	142 Å²	142	79%	0.791	82%	0.819	S	S	*	*			trans	-152.6	154.4	177.3	-85.9	171.3	0	0	0	111.6
324	N	31.1	Very low	35.2	Very low	161 Å²	161	142.2 Å²	142.2	86%	0.861	82%	0.819	S	S	*	*			trans	-166.5	172.3	152.9	-112.2	-5.4	0	0	0	112.2
325	P	42.6	Very low	35	Very low	110 Å²	110	144.1 Å²	144.1	71%	0.714	82%	0.816	S	S	*	*				-122.4	179.5	-128.3	42	-28	0	0	0	116.9
326	P	48.3	Very low	34.7	Very low	117 Å²	117	147.8 Å²	147.8	76%	0.76	82%	0.822	S	S	*	*			trans	-105	166	-172.6	40.1	-35	0	0	0	115.8
327	P	35.7	Very low	35.5	Very low	133 Å²	133	142.9 Å²	142.9	86%	0.864	81%	0.812	S	S	*	*			trans	-100.7	175.3	164.2	38	-30.7	0	0	0	113.4
328	A	31.4	Very low	35.3	Very low	101 Å²	101	140 Å²	140	84%	0.835	81%	0.813	S	S	*	*			trans	-119.1	170	-166.3	0	0	0	0	0	115.7
329	S	34.8	Very low	35.5	Very low	121 Å²	121	136.7 Å²	136.7	85%	0.846	81%	0.808	S	S	*	*			trans	-76.6	159.5	179.4	-33	0	0	0	0	114.5
330	P	39.8	Very low	35.3	Very low	117 Å²	117	136 Å²	136	76%	0.76	81%	0.807	S	S	*	*			trans	-138.4	145.3	141.9	35.5	-21	0	0	0	116.8
331	T	30.6	Very low	35.4	Very low	128 Å²	128	130.7 Å²	130.7	79%	0.785	80%	0.8	S	S	*	*			trans	6	133.1	154.8	53.3	0	0	0	0	124.1
332	T	32.5	Very low	35.7	Very low	134 Å²	134	130 Å²	130	82%	0.822	80%	0.796	S	S	*	*				27.4	119.2	124.5	-56.2	0	0	0	0	120.7
333	S	29.3	Very low	35.8	Very low	113 Å²	113	128.2 Å²	128.2	79%	0.79	79%	0.794	S	S	*	*				-168.6	142.5	122.7	23.8	0	0	0	0	110.9
334	T	35.4	Very low	35.9	Very low	136 Å²	136	129.5 Å²	129.5	83%	0.834	80%	0.796	S	S	*	*			trans	-89.8	151.9	166.1	35.5	0	0	0	0	110.1
335	P	31.4	Very low	36.1	Very low	124 Å²	124	129.6 Å²	129.6	81%	0.805	80%	0.796	S	S	*	*				-134.9	152.4	110	37.7	-29.4	0	0	0	114.2
336	E	30.3	Very low	35.8	Very low	181 Å²	181	128.3 Å²	128.3	85%	0.846	80%	0.795	S	S	*	*			trans	-96.9	169.4	152.5	-65.5	-174.5	152.5	0	0	108.8
337	P	50.3	Low	35.3	Very low	111 Å²	111	127 Å²	127	72%	0.721	79%	0.794	S	S	*	*			cis	-119.6	175.9	-20.9	37.5	-25.3	0	0	0	111.3
338	D	28.2	Very low	35.5	Very low	159 Å²	159	127.1 Å²	127.1	85%	0.85	79%	0.793	S	S	*	*			trans	-147.3	152.7	142.3	-128.4	-33.6	0	0	0	111.7
339	T	40.6	Very low	36.1	Very low	119 Å²	119	127.5 Å²	127.5	73%	0.73	78%	0.779	S	S	*	*			trans	-108.8	150.2	-170.6	48.2	0	0	0	0	113.6
340	S	35.7	Very low	36.3	Very low	113 Å²	113	125.7 Å²	125.7	79%	0.79	77%	0.765	S	S	*	*			trans	68.8	145.3	-165.7	86.3	0	0	0	0	112.8
341	T	35.1	Very low	36.4	Very low	122 Å²	122	124.6 Å²	124.6	75%	0.748	76%	0.76	S	S	*	*			cis	-134.1	145.7	9.3	-62.8	0	0	0	0	109.8	P343	T341-P343 WeakPolarHBondContact O-CD 3.5Å
342	V	36.7	Very low	37.1	Very low	121 Å²	121	123.3 Å²	123.3	73%	0.733	76%	0.756	S	S	*	*			trans	-93.7	126.4	177.4	175.4	0	0	0	0	111.1	Q344	V342-Q344 HydrophobicContact CG1-CG 3.85Å
343	P	33.3	Very low	37.7	Very low	120 Å²	120	119.3 Å²	119.3	78%	0.779	74%	0.737	S	S	*	*			trans	-107.4	115.7	148.2	4.7	16.4	0	0	0	109.2	T341	T341-P343 WeakPolarHBondContact O-CD 3.5Å
344	Q	40.4	Very low	38.4	Very low	178 Å²	178	121.2 Å²	121.2	83%	0.832	74%	0.735	S	S	*	*			trans	-83	125.2	162.4	-66	170.3	-79.3	0	0	107.9	V342	V342-Q344 HydrophobicContact CG1-CG 3.85Å
345	D	36.7	Very low	39.2	Very low	164 Å²	164	123 Å²	123	88%	0.877	73%	0.733	S	S	*	*				-170.7	-179.4	120	-130.8	-39.6	0	0	0	113.6
346	A	35.9	Very low	40.7	Very low	83 Å²	83	118.7 Å²	118.7	69%	0.686	71%	0.709	S	S	*	*			trans	75.2	56.6	159.7	0	0	0	0	0	118.4
347	A	37.3	Very low	42.4	Very low	90 Å²	90	112.7 Å²	112.7	74%	0.744	69%	0.686	S	S	*	*			trans	-123	84.1	145.8	0	0	0	0	0	109.6	I349	A347-I349 PolarHBondContact O-N 2.76Å
348	T	40.9	Very low	44	Very low	135 Å²	135	111.9 Å²	111.9	83%	0.828	68%	0.678	S	S	*	*			trans	-70.3	86.1	-170.5	-48	0	0	0	0	112.8	P350	T348-P350 WeakPolarHBondContact O-CD 3.43Å
349	I	42.3	Very low	47	Very low	109 Å²	109	104.9 Å²	104.9	56%	0.559	64%	0.642	S	S	*	*			trans	-64.7	124.9	166.2	-59.4	-61.9	0	0	0	108.8	A347 S351 A353 M354	A347-I349 PolarHBondContact O-N 2.76Å; I349-S351 PolarHBondContact O-N 3.01Å; I349-A353 HydrophobicContact CG2-CB 3.84Å; I349-M354 HydrophobicContact CG2-CG 4.35Å
350	P	39.8	Very low	49.5	Very low	83 Å²	83	100.5 Å²	100.5	54%	0.539	62%	0.615	S	S	.	*			trans	-60.1	134.4	175.3	-24.3	34.6	0	0	0	111.4	T348 S352 A353	T348-P350 WeakPolarHBondContact O-CD 3.43Å; P350-S352 PolarHBondContact O-N 2.91Å; P350-A353 WeakPolarHBondContact O-CB 3.36Å; P350-A353 PolarHBondContact O-N 2.84Å
351	S	41.1	Very low	52.3	Low	94 Å²	94	95.1 Å²	95.1	66%	0.657	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-59.2	-22.7	-173	-43.5	0	0	0	0	114.2	I349 A353 M354	I349-S351 PolarHBondContact O-N 3.01Å; S351-A353 VanDerWaalsContact C-N 3.26Å; S351-A353 PolarHBondContact O-N 2.84Å; S351-M354 PolarHBondContact O-N 2.74Å
352	S	46.2	Very low	55.1	Low	100 Å²	100	92 Å²	92	70%	0.699	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-64.4	-25	172.2	51.8	0	0	0	0	113.9	P350	P350-S352 PolarHBondContact O-N 2.91Å
353	A	43.9	Very low	57.8	Low	51 Å²	51	86.7 Å²	86.7	42%	0.421	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-77.2	-23.6	174.5	0	0	0	0	0	112.8	I349 P350 S351 Q355	I349-A353 HydrophobicContact CG2-CB 3.84Å; P350-A353 WeakPolarHBondContact O-CB 3.36Å; P350-A353 PolarHBondContact O-N 2.84Å; S351-A353 VanDerWaalsContact C-N 3.26Å; S351-A353 PolarHBondContact O-N 2.84Å; A353-Q355 VanDerWaalsContact C-N 3.3Å; A353-Q355 PolarHBondContact O-N 3.33Å
354	M	44.8	Very low	60.6	Low	152 Å²	152	82.1 Å²	82.1	75%	0.749	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-79.4	-7.1	-178.2	-63.1	-175.3	75.9	0	0	114.1	I349 S351	I349-M354 HydrophobicContact CG2-CG 4.35Å; S351-M354 PolarHBondContact O-N 2.74Å
355	Q	53.3	Low	62.9	Low	173 Å²	173	75.3 Å²	75.3	81%	0.808	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-112.3	-1.3	-178.6	-64.6	-175.5	-9.5	0	0	113.9	A353	A353-Q355 VanDerWaalsContact C-N 3.3Å; A353-Q355 PolarHBondContact O-N 3.33Å
356	A	61.2	Low	65.1	Low	34 Å²	34	72 Å²	72	28%	0.281	44%	0.439	S	S	.	.	S	Bend	trans	-70	130.2	176.3	0	0	0	0	0	110.5	T358 R389	A356-T358 PolarHBondContact O-N 3.2Å; A356-R389 HydrophobicContact CB-CG 4.12Å
357	P	65.9	Low	67.2	Low	56 Å²	56	68.7 Å²	68.7	36%	0.364	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-62.3	122.6	-176.7	23.9	-33.2	0	0	0	111	A390 I443	P357-A390 HydrophobicContact CG-CB 4.41Å; P357-A390 WeakPolarHBondContact O-CB 3.47Å; P357-A390 PolarHBondContact O-N 3.4Å; P357-I443 HydrophobicContact CB-CD1 4.4Å; P357-I443 HydrophobicContact CB-CG1 4.09Å
358	T	85.4	Confident	69.4	Low	93 Å²	93	67.9 Å²	67.9	57%	0.571	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	148.6	173	50.2	0	0	0	0	110.8	A356 A388 I443	A356-T358 PolarHBondContact O-N 3.2Å; T358-A388 CarbonylContact C-O 3.58Å; T358-A388 VanDerWaalsContact CA-O 3.26Å; T358-A388 WeakPolarHBondContact CA-O 3.37Å; T358-I443 VanDerWaalsContact O-CD1 3.23Å; T358-I443 WeakPolarHBondContact O-CD1 3.33Å
359	V	90.4	Very high	71.6	Confident	13 Å²	13	62.1 Å²	62.1	8%	0.079	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	149.7	178.7	63.3	0	0	0	0	109.8	I361 P387 A388 A390 V393 I443	V359-I361 HydrophobicContact CG2-CD1 3.74Å; V359-I361 HydrophobicContact CG2-CG1 4.05Å; V359-P387 WeakPolarHBondContact O-CA 3.38Å; V359-A388 PolarHBondContact N-O 3.02Å; V359-A388 PolarHBondContact O-N 3.27Å; V359-A388 VanDerWaalsContact O-N 3.17Å; V359-A390 HydrophobicContact CG1-CB 4.14Å; V359-V393 HydrophobicContact CG1-CB 3.68Å; V359-V393 HydrophobicContact CG1-CG1 3.9Å; V359-V393 HydrophobicContact CG1-CG2 3.84Å; V359-I443 HydrophobicContact CB-CD1 4.47Å; V359-I443 HydrophobicContact CB-CG1 4.25Å; V359-I443 HydrophobicContact CB-CG2 4.26Å; V359-I443 HydrophobicContact CG2-CG2 3.71Å
360	C	93.4	Very high	73.8	Confident	26 Å²	26	57.8 Å²	57.8	18%	0.176	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.1	162.9	-170.9	0	0	0	0	108.4	Y362 H384 F385	C360-Y362 HydrophobicContact CB-CE2 4.23Å; C360-Y362 VanDerWaalsContact SG-CZ 3.59Å; C360-H384 PolarHBondContact SG-CD2 3.5Å; C360-F385 CarbonylContact C-O 3.59Å; C360-F385 WeakPolarHBondContact CA-O 3.33Å
361	I	94.9	Very high	76.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	120.7	177.2	-61.7	-62.7	0	0	0	108.2	V359 H384 F385 V393 V446 L447 L450 F463	V359-I361 HydrophobicContact CG2-CD1 3.74Å; V359-I361 HydrophobicContact CG2-CG1 4.05Å; I361-H384 CarbonylContact O-C 3.46Å; I361-H384 WeakPolarHBondContact O-CA 3.34Å; I361-H384 WeakPolarHBondContact O-CB 3.27Å; I361-F385 PolarHBondContact N-O 3.16Å; I361-F385 PolarHBondContact O-N 3.16Å; I361-V393 HydrophobicContact CB-CG1 4.03Å; I361-V393 HydrophobicContact CG1-CG1 3.65Å; I361-V446 HydrophobicContact CD1-CG1 4.27Å; I361-V446 HydrophobicContact CG1-CG1 4.23Å; I361-L447 HydrophobicContact CD1-CD2 3.51Å; I361-L447 HydrophobicContact CD1-CG 4.41Å; I361-L450 HydrophobicContact CG1-CD1 4.29Å; I361-L450 HydrophobicContact CG2-CD1 3.9Å; I361-F463 HydrophobicContact CG2-CB 3.96Å; I361-F463 HydrophobicContact CG2-CD1 3.81Å; I361-F463 HydrophobicContact CG2-CG 4.16Å
362	Y	94.1	Very high	78.9	Confident	58 Å²	58	54.9 Å²	54.9	23%	0.227	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	148.1	-178.5	-61.9	-89.5	0	0	0	110.9	C360 D383 H384 F463 G464 Q466 P467	C360-Y362 HydrophobicContact CB-CE2 4.23Å; C360-Y362 VanDerWaalsContact SG-CZ 3.59Å; Y362-D383 WeakPolarHBondContact CA-O 3.19Å; Y362-H384 HydrophobicContact CD1-CB 3.62Å; Y362-H384 HydrophobicContact CE1-CB 3.93Å; Y362-H384 HydrophobicContact CG-CB 4.19Å; Y362-F463 CarbonylContact O-C 3Å; Y362-F463 WeakPolarHBondContact O-CA 3.48Å; Y362-G464 PolarHBondContact N-O 2.86Å; Y362-G464 PolarHBondContact O-N 3.47Å; Y362-Q466 WeakPolarHBondContact CB-O 3.17Å; Y362-Q466 WeakPolarHBondContact CD2-O 3.31Å; Y362-P467 HydrophobicContact CD1-CB 4.14Å; Y362-P467 HydrophobicContact CD1-CG 4.13Å; Y362-P467 HydrophobicContact CE1-CB 4.14Å; Y362-P467 HydrophobicContact CE1-CG 3.68Å; Y362-P467 HydrophobicContact CE2-CG 4.28Å
363	L	93.6	Very high	81.3	Confident	8 Å²	8	50.1 Å²	50.1	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.4	-179.3	-178	74.3	0	0	0	110.7	K365 V378 L381 P382 D383 L462 F463	L363-K365 HydrophobicContact CD2-CG 4.04Å; L363-K365 HydrophobicContact CG-CG 4.39Å; L363-K365 PolarHBondContact O-N 2.96Å; L363-K365 VanDerWaalsContact O-N 3.15Å; L363-V378 HydrophobicContact CD2-CG1 4.35Å; L363-L381 HydrophobicContact CD1-CD1 4.47Å; L363-L381 HydrophobicContact CD2-CB 3.47Å; L363-L381 VanDerWaalsContact CD2-CB 3.47Å; L363-L381 HydrophobicContact CD2-CD1 3.71Å; L363-L381 HydrophobicContact CD2-CG 4.23Å; L363-P382 WeakPolarHBondContact CD2-O 3.45Å; L363-D383 PolarHBondContact N-O 2.9Å; L363-L462 HydrophobicContact CD1-CD1 3.85Å; L363-L462 HydrophobicContact CD1-CG 4.05Å; L363-F463 HydrophobicContact CD1-CD1 4.03Å; L363-F463 HydrophobicContact CD1-CE1 3.68Å; L363-F463 HydrophobicContact CD1-CZ 4.41Å
364	N	92	Very high	83.7	Confident	25 Å²	25	49.2 Å²	49.2	13%	0.134	28%	0.278	C	S	.	.			trans	-86	80.9	175.4	-170.6	0.6	0	0	0	111.1	N366 G367 N461 L462 F468	N364-N366 PolarHBondContact O-N 3.4Å; N364-N366 VanDerWaalsContact O-N 3.09Å; N364-N366 PolarHBondContact OD1-N 3.33Å; N364-G367 PolarHBondContact O-N 2.93Å; N364-G367 PolarHBondContact OD1-N 3Å; N364-G367 VanDerWaalsContact OD1-N 3.07Å; N364-N461 WeakPolarHBondContact CB-O 3.44Å; N364-N461 PolarHBondContact ND2-O 3.13Å; N364-L462 PolarHBondContact N-O 3.39Å; N364-F468 HydrophobicContact CB-CD1 4.07Å; N364-F468 HydrophobicContact CB-CD2 3.9Å; N364-F468 HydrophobicContact CB-CE1 3.84Å; N364-F468 HydrophobicContact CB-CE2 3.66Å; N364-F468 HydrophobicContact CB-CG 4.11Å; N364-F468 HydrophobicContact CB-CZ 3.64Å
365	K	88.4	Confident	86	Confident	34 Å²	34	46.9 Å²	46.9	15%	0.148	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-27	176.1	-71	-178.8	173.8	172.4	0	113.7	L363 Q379 L381 D383	L363-K365 HydrophobicContact CD2-CG 4.04Å; L363-K365 HydrophobicContact CG-CG 4.39Å; L363-K365 PolarHBondContact O-N 2.96Å; L363-K365 VanDerWaalsContact O-N 3.15Å; K365-Q379 WeakPolarHBondContact CE-O 3.4Å; K365-Q379 PolarHBondContact NZ-O 2.91Å; K365-Q379 PolarHBondContact O-NE2 3.36Å; K365-L381 WeakPolarHBondContact CE-O 3.38Å; K365-L381 PolarHBondContact NZ-O 3.34Å; K365-D383 WeakPolarHBondContact CD-OD1 3.44Å; K365-D383 WeakPolarHBondContact CE-OD1 3.18Å; K365-D383 IonicContact NZ-OD1 2.7Å; K365-D383 PolarHBondContact NZ-OD1 3.07Å; K365-D383 IonicContact NZ-OD2 3.99Å
366	N	82.5	Confident	88	Confident	95 Å²	95	46.5 Å²	46.5	51%	0.508	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-8.3	-178.7	-62.6	-25.8	0	0	0	113.4	N364	N364-N366 PolarHBondContact O-N 3.4Å; N364-N366 VanDerWaalsContact O-N 3.09Å; N364-N366 PolarHBondContact OD1-N 3.33Å
367	G	79.5	Confident	89.6	Confident	14 Å²	14	48.5 Å²	48.5	14%	0.144	26%	0.262	C	S	.	.	S	Bend	trans	-71.4	178.8	-179.5	0	0	0	0	0	114.5	N364 T369	N364-G367 PolarHBondContact O-N 2.93Å; N364-G367 PolarHBondContact OD1-N 3Å; N364-G367 VanDerWaalsContact OD1-N 3.07Å; G367-T369 PolarHBondContact O-N 2.96Å
368	S	83.6	Confident	90.9	Very high	73 Å²	73	46 Å²	46	51%	0.51	25%	0.245	S	C	.	.			trans	-74.2	118.1	170.3	-177.1	0	0	0	0	109.5	G370 S459	S368-G370 PolarHBondContact O-N 3.47Å; S368-G370 PolarHBondContact OG-N 3.44Å; S368-S459 CarbonylContact O-C 3.5Å; S368-S459 VanDerWaalsContact O-CA 3.24Å; S368-S459 WeakPolarHBondContact O-CA 3.46Å
369	T	87.2	Confident	91.2	Very high	14 Å²	14	45.4 Å²	45.4	9%	0.086	24%	0.236	C	C	.	.			trans	-80.7	-4.8	175.5	59.2	0	0	0	0	112.8	G367 L373 K375 V378 S459	G367-T369 PolarHBondContact O-N 2.96Å; T369-L373 WeakPolarHBondContact O-CB 3.29Å; T369-L373 PolarHBondContact OG1-O 3.5Å; T369-K375 HydrophobicContact CG2-CB 4.15Å; T369-K375 HydrophobicContact CG2-CG 4.08Å; T369-V378 HydrophobicContact CG2-CB 4.07Å; T369-V378 HydrophobicContact CG2-CG1 4Å; T369-V378 HydrophobicContact CG2-CG2 4.07Å; T369-S459 VanDerWaalsContact C-OG 3.26Å; T369-S459 PolarHBondContact O-OG 3.29Å
370	G	89.3	Confident	91.4	Very high	18 Å²	18	52.5 Å²	52.5	19%	0.186	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	-178.6	-176	0	0	0	0	0	113.4	S368 H372 R458	S368-G370 PolarHBondContact O-N 3.47Å; S368-G370 PolarHBondContact OG-N 3.44Å; G370-H372 VanDerWaalsContact C-N 3.28Å; G370-H372 PolarHBondContact O-N 3.2Å; G370-R458 WeakPolarHBondContact CA-O 3.33Å
371	P	93.3	Very high	91.5	Very high	68 Å²	68	52.9 Å²	52.9	44%	0.442	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.6	179.6	33.9	-36.1	0	0	0	113.7
372	H	94.1	Very high	91.5	Very high	47 Å²	47	56 Å²	56	22%	0.218	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-21.7	-172.8	-66.5	-59.3	0	0	0	114.3	G370 A405 Y406 V411 L457	G370-H372 VanDerWaalsContact C-N 3.28Å; G370-H372 PolarHBondContact O-N 3.2Å; H372-A405 WeakPolarHBondContact O-CA 3.39Å; H372-Y406 PolarHBondContact O-N 3.19Å; H372-V411 HydrophobicContact CB-CG2 4.41Å; H372-L457 HydrophobicContact CB-CD2 3.83Å; H372-L457 PolarHBondContact CD2-O 3.11Å
373	L	95.9	Very high	91.3	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-113.2	138.1	-177.5	-52.3	-179.1	0	0	0	112	T369 K375 V378 C401 Y406 V411 L457 L462	T369-L373 WeakPolarHBondContact O-CB 3.29Å; T369-L373 PolarHBondContact OG1-O 3.5Å; L373-K375 PolarHBondContact O-N 3.41Å; L373-V378 HydrophobicContact CB-CG2 4.15Å; L373-V378 HydrophobicContact CD1-CG2 4.39Å; L373-C401 HydrophobicContact CD2-CB 4.31Å; L373-C401 WeakPolarHBondContact CD2-O 3.38Å; L373-Y406 WeakPolarHBondContact O-CE2 3.48Å; L373-V411 HydrophobicContact CD2-CG2 4.42Å; L373-L457 HydrophobicContact CD1-CD1 4.26Å; L373-L457 HydrophobicContact CD2-CD1 4.41Å; L373-L457 HydrophobicContact CD2-CD2 4.25Å; L373-L462 HydrophobicContact CD1-CD2 3.5Å; L373-L462 VanDerWaalsContact CD1-CD2 3.5Å
374	D	95.4	Very high	91.3	Very high	31 Å²	31	61.3 Å²	61.3	17%	0.166	32%	0.319	C	S	.	.			trans	-76.5	113.8	174.8	-172.5	-17.7	0	0	0	111.3	K376 K377 V378 C404 Y406	D374-K376 PolarHBondContact O-N 2.76Å; D374-K376 WeakPolarHBondContact OD1-CB 3.28Å; D374-K376 PolarHBondContact OD1-N 2.86Å; D374-K377 HydrophobicContact CB-CB 4.18Å; D374-K377 HydrophobicContact CB-CD 3.94Å; D374-K377 HydrophobicContact CB-CG 3.91Å; D374-K377 PolarHBondContact O-N 3.46Å; D374-V378 WeakPolarHBondContact O-CG2 3.45Å; D374-V378 PolarHBondContact O-N 3.03Å; D374-C404 PolarHBondContact N-O 2.84Å; D374-Y406 VanDerWaalsContact CA-CZ 3.46Å; D374-Y406 WeakPolarHBondContact CA-OH 3.39Å; D374-Y406 HydrophobicContact CB-CD1 4.1Å; D374-Y406 HydrophobicContact CB-CE1 3.55Å; D374-Y406 HydrophobicContact CB-CE2 4.25Å; D374-Y406 PolarHBondContact OD1-OH 3.36Å
375	K	93.1	Very high	91.5	Very high	103 Å²	103	61 Å²	61	45%	0.448	32%	0.316	S	S	.	.	H	α-helix	trans	-57.7	-30.5	179.1	-170.4	168.7	-176.9	170.9	0	113.1	T369 L373 Q379	T369-K375 HydrophobicContact CG2-CB 4.15Å; T369-K375 HydrophobicContact CG2-CG 4.08Å; L373-K375 PolarHBondContact O-N 3.41Å; K375-Q379 WeakPolarHBondContact O-CB 3.38Å; K375-Q379 VanDerWaalsContact O-CG 3.23Å; K375-Q379 WeakPolarHBondContact O-CG 3.44Å; K375-Q379 PolarHBondContact O-N 2.97Å; K375-Q379 VanDerWaalsContact O-N 3.14Å
376	K	94.1	Very high	91.7	Very high	165 Å²	165	60.4 Å²	60.4	72%	0.717	32%	0.32	S	S	*	.	H	α-helix	trans	-69.8	-39	176.9	-66.7	-175.6	177.6	-178.5	0	111.7	D374 Q380	D374-K376 PolarHBondContact O-N 2.76Å; D374-K376 WeakPolarHBondContact OD1-CB 3.28Å; D374-K376 PolarHBondContact OD1-N 2.86Å; K376-Q380 WeakPolarHBondContact O-CG 3.41Å
377	K	95.1	Very high	92.1	Very high	77 Å²	77	60.9 Å²	60.9	34%	0.335	33%	0.328	S	S	.	.	H	α-helix	trans	-70	-43.6	174.9	-61.8	-178.4	-177.3	178.3	0	111.6	D374 Q379 Q380 L381 D403 C404 A405	D374-K377 HydrophobicContact CB-CB 4.18Å; D374-K377 HydrophobicContact CB-CD 3.94Å; D374-K377 HydrophobicContact CB-CG 3.91Å; D374-K377 PolarHBondContact O-N 3.46Å; K377-Q379 PolarHBondContact O-N 3.44Å; K377-Q380 WeakPolarHBondContact O-CB 3.3Å; K377-Q380 PolarHBondContact O-N 3.05Å; K377-L381 PolarHBondContact O-N 3.15Å; K377-D403 WeakPolarHBondContact CD-O 3.31Å; K377-D403 PolarHBondContact NZ-O 3.12Å; K377-C404 HydrophobicContact CB-CB 4.06Å; K377-A405 PolarHBondContact NZ-O 3.38Å
378	V	94.4	Very high	92.7	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.012	33%	0.333	C	S	.	.	H	α-helix	trans	-59.7	-35.1	178.1	173.8	0	0	0	0	111.9	L363 T369 L373 D374 Q380 L381 C404 L462	L363-V378 HydrophobicContact CD2-CG1 4.35Å; T369-V378 HydrophobicContact CG2-CB 4.07Å; T369-V378 HydrophobicContact CG2-CG1 4Å; T369-V378 HydrophobicContact CG2-CG2 4.07Å; L373-V378 HydrophobicContact CB-CG2 4.15Å; L373-V378 HydrophobicContact CD1-CG2 4.39Å; D374-V378 WeakPolarHBondContact O-CG2 3.45Å; D374-V378 PolarHBondContact O-N 3.03Å; V378-Q380 VanDerWaalsContact C-N 3.28Å; V378-Q380 PolarHBondContact O-N 3.37Å; V378-L381 WeakPolarHBondContact O-CB 3.31Å; V378-L381 PolarHBondContact O-N 2.95Å; V378-C404 HydrophobicContact CG2-CB 3.85Å; V378-L462 HydrophobicContact CG1-CD1 3.96Å
379	Q	91.9	Very high	93.1	Very high	81 Å²	81	63.3 Å²	63.3	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-67.4	-24.2	174.8	-75.8	-82.5	-16.1	0	0	113.7	K365 K375 K377	K365-Q379 WeakPolarHBondContact CE-O 3.4Å; K365-Q379 PolarHBondContact NZ-O 2.91Å; K365-Q379 PolarHBondContact O-NE2 3.36Å; K375-Q379 WeakPolarHBondContact O-CB 3.38Å; K375-Q379 VanDerWaalsContact O-CG 3.23Å; K375-Q379 WeakPolarHBondContact O-CG 3.44Å; K375-Q379 PolarHBondContact O-N 2.97Å; K375-Q379 VanDerWaalsContact O-N 3.14Å; K377-Q379 PolarHBondContact O-N 3.44Å
380	Q	94.5	Very high	93.4	Very high	163 Å²	163	62.8 Å²	62.8	76%	0.762	33%	0.325	S	S	*	.	H	α-helix	trans	-85.8	-10.7	178.3	-66.1	169.1	-4.7	0	0	113.9	K376 K377 V378	K376-Q380 WeakPolarHBondContact O-CG 3.41Å; K377-Q380 WeakPolarHBondContact O-CB 3.3Å; K377-Q380 PolarHBondContact O-N 3.05Å; V378-Q380 VanDerWaalsContact C-N 3.28Å; V378-Q380 PolarHBondContact O-N 3.37Å
381	L	94.5	Very high	93.5	Very high	33 Å²	33	62.7 Å²	62.7	17%	0.173	32%	0.321	C	S	.	.	S	Bend	trans	-67.1	162.6	174.2	-68.2	179.4	0	0	0	112	L363 K365 K377 V378 F385 A400	L363-L381 HydrophobicContact CD1-CD1 4.47Å; L363-L381 HydrophobicContact CD2-CB 3.47Å; L363-L381 VanDerWaalsContact CD2-CB 3.47Å; L363-L381 HydrophobicContact CD2-CD1 3.71Å; L363-L381 HydrophobicContact CD2-CG 4.23Å; K365-L381 WeakPolarHBondContact CE-O 3.38Å; K365-L381 PolarHBondContact NZ-O 3.34Å; K377-L381 PolarHBondContact O-N 3.15Å; V378-L381 WeakPolarHBondContact O-CB 3.31Å; V378-L381 PolarHBondContact O-N 2.95Å; L381-F385 HydrophobicContact CD1-CZ 4.48Å; L381-A400 HydrophobicContact CD1-CB 3.93Å; L381-A400 HydrophobicContact CD2-CB 3.86Å
382	P	94.5	Very high	93.6	Very high	66 Å²	66	61.1 Å²	61.1	43%	0.429	31%	0.311	S	S	.	.			trans	-63.9	156.1	167.2	30	-37.5	0	0	0	111.5	L363 H384 F385	L363-P382 WeakPolarHBondContact CD2-O 3.45Å; P382-H384 WeakPolarHBondContact CB-O 3.29Å; P382-H384 PolarHBondContact O-N 3.19Å; P382-F385 HydrophobicContact CG-CD1 4.14Å; P382-F385 HydrophobicContact CG-CE1 3.68Å; P382-F385 HydrophobicContact CG-CZ 3.95Å
383	D	90.7	Very high	93.6	Very high	96 Å²	96	58.9 Å²	58.9	51%	0.513	30%	0.3	S	S	.	.	S	Bend	trans	-72.1	-11.9	178.4	-54.2	-55.7	0	0	0	113.2	Y362 L363 K365	Y362-D383 WeakPolarHBondContact CA-O 3.19Å; L363-D383 PolarHBondContact N-O 2.9Å; K365-D383 WeakPolarHBondContact CD-OD1 3.44Å; K365-D383 WeakPolarHBondContact CE-OD1 3.18Å; K365-D383 IonicContact NZ-OD1 2.7Å; K365-D383 PolarHBondContact NZ-OD1 3.07Å; K365-D383 IonicContact NZ-OD2 3.99Å
384	H	94.1	Very high	93.6	Very high	82 Å²	82	58.8 Å²	58.8	38%	0.38	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	163.3	174.9	59.8	-79.9	0	0	0	112.7	C360 I361 Y362 P382 G386	C360-H384 PolarHBondContact SG-CD2 3.5Å; I361-H384 CarbonylContact O-C 3.46Å; I361-H384 WeakPolarHBondContact O-CA 3.34Å; I361-H384 WeakPolarHBondContact O-CB 3.27Å; Y362-H384 HydrophobicContact CD1-CB 3.62Å; Y362-H384 HydrophobicContact CE1-CB 3.93Å; Y362-H384 HydrophobicContact CG-CB 4.19Å; P382-H384 WeakPolarHBondContact CB-O 3.29Å; P382-H384 PolarHBondContact O-N 3.19Å; H384-G386 PolarHBondContact CD2-O 2.86Å
385	F	95.6	Very high	93.7	Very high	17 Å²	17	59.6 Å²	59.6	8%	0.075	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.6	174	-59.8	-83.2	0	0	0	109.3	C360 I361 L381 P382 V393 Q396 A397 A400 F463	C360-F385 CarbonylContact C-O 3.59Å; C360-F385 WeakPolarHBondContact CA-O 3.33Å; I361-F385 PolarHBondContact N-O 3.16Å; I361-F385 PolarHBondContact O-N 3.16Å; L381-F385 HydrophobicContact CD1-CZ 4.48Å; P382-F385 HydrophobicContact CG-CD1 4.14Å; P382-F385 HydrophobicContact CG-CE1 3.68Å; P382-F385 HydrophobicContact CG-CZ 3.95Å; F385-V393 HydrophobicContact CB-CG1 3.88Å; F385-V393 WeakPolarHBondContact O-CG1 3.29Å; F385-Q396 HydrophobicContact CB-CB 4.5Å; F385-Q396 HydrophobicContact CD1-CB 3.71Å; F385-Q396 HydrophobicContact CE1-CB 4.3Å; F385-Q396 HydrophobicContact CG-CB 4.35Å; F385-A397 HydrophobicContact CD2-CB 4.33Å; F385-A400 HydrophobicContact CE1-CB 4.19Å; F385-A400 HydrophobicContact CZ-CB 3.69Å; F385-F463 HydrophobicContact CD2-CE1 4.39Å; F385-F463 HydrophobicContact CE2-CE1 4.07Å
386	G	92.6	Very high	93.9	Very high	22 Å²	22	58 Å²	58	23%	0.227	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	93.9	-168.6	-167.2	0	0	0	0	0	112.9	H384 A388	H384-G386 PolarHBondContact CD2-O 2.86Å; G386-A388 VanDerWaalsContact CA-N 3.33Å
387	P	91.3	Very high	94	Very high	106 Å²	106	50.2 Å²	50.2	69%	0.688	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-67.3	117.3	1.4	27.4	-34.4	0	0	0	112.5	V359	V359-P387 WeakPolarHBondContact O-CA 3.38Å
388	A	91.8	Very high	94.1	Very high	29 Å²	29	46.6 Å²	46.6	24%	0.24	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	175.9	179.5	0	0	0	0	0	111.4	T358 V359 G386 A390 V393	T358-A388 CarbonylContact C-O 3.58Å; T358-A388 VanDerWaalsContact CA-O 3.26Å; T358-A388 WeakPolarHBondContact CA-O 3.37Å; V359-A388 PolarHBondContact N-O 3.02Å; V359-A388 PolarHBondContact O-N 3.27Å; V359-A388 VanDerWaalsContact O-N 3.17Å; G386-A388 VanDerWaalsContact CA-N 3.33Å; A388-A390 PolarHBondContact O-N 3.43Å; A388-V393 HydrophobicContact CB-CG2 3.76Å
389	R	92.4	Very high	94.3	Very high	108 Å²	108	47.8 Å²	47.8	41%	0.408	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	134.2	176.8	-65.2	-168.8	-63.9	113.6	3	110.6	A356 S391 V392 V393 E422	A356-R389 HydrophobicContact CB-CG 4.12Å; R389-S391 PolarHBondContact NH1-OG 3Å; R389-S391 PolarHBondContact O-N 3.1Å; R389-V392 HydrophobicContact CB-CG2 4.19Å; R389-V392 PolarHBondContact O-N 3.14Å; R389-V393 PolarHBondContact O-N 3.42Å; R389-V393 VanDerWaalsContact O-N 3.08Å; R389-E422 IonicContact CZ-OE1 3.22Å; R389-E422 IonicContact NH1-OE1 2.77Å; R389-E422 PolarHBondContact NH1-OE1 3.31Å; R389-E422 VanDerWaalsContact NH1-OE1 3.15Å; R389-E422 IonicContact NH2-OE1 3.69Å; R389-E422 PolarHBondContact NH2-OE1 3.42Å
390	A	92	Very high	94.5	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-54.3	-30.7	-176.3	0	0	0	0	0	115.1	P357 V359 A388 L394 V440 V446	P357-A390 HydrophobicContact CG-CB 4.41Å; P357-A390 WeakPolarHBondContact O-CB 3.47Å; P357-A390 PolarHBondContact O-N 3.4Å; V359-A390 HydrophobicContact CG1-CB 4.14Å; A388-A390 PolarHBondContact O-N 3.43Å; A390-L394 WeakPolarHBondContact O-CB 3.34Å; A390-L394 PolarHBondContact O-N 3.37Å; A390-L394 VanDerWaalsContact O-N 3.16Å; A390-V440 HydrophobicContact CB-CG1 3.64Å; A390-V446 HydrophobicContact CB-CG2 3.91Å; A390-V446 WeakPolarHBondContact O-CG2 3.41Å
391	S	92.5	Very high	94.6	Very high	16 Å²	16	36.7 Å²	36.7	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-66.8	-43.6	174.3	64.1	0	0	0	0	112.7	R389 Q395 E422	R389-S391 PolarHBondContact NH1-OG 3Å; R389-S391 PolarHBondContact O-N 3.1Å; S391-Q395 WeakPolarHBondContact O-CB 3.45Å; S391-Q395 PolarHBondContact O-N 3Å; S391-E422 WeakPolarHBondContact CB-OE1 3.36Å; S391-E422 WeakPolarHBondContact O-CG 3.25Å; S391-E422 PolarHBondContact OG-OE1 3.49Å
392	V	94.4	Very high	94.8	Very high	35 Å²	35	35.1 Å²	35.1	21%	0.212	19%	0.194	C	C	.	.	H	α-helix	trans	-68.9	-42.8	179.3	-179.5	0	0	0	0	110.9	R389 L394 Q395 Q396	R389-V392 HydrophobicContact CB-CG2 4.19Å; R389-V392 PolarHBondContact O-N 3.14Å; V392-L394 VanDerWaalsContact C-N 3.34Å; V392-L394 PolarHBondContact O-N 3.05Å; V392-Q395 WeakPolarHBondContact O-CB 3.41Å; V392-Q395 PolarHBondContact O-N 3Å; V392-Q396 HydrophobicContact CG1-CG 4.37Å; V392-Q396 WeakPolarHBondContact O-CG 3.43Å; V392-Q396 PolarHBondContact O-N 3.19Å
393	V	95.8	Very high	94.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-36.5	179.5	-179.1	0	0	0	0	111.5	V359 I361 F385 A388 R389 A397	V359-V393 HydrophobicContact CG1-CB 3.68Å; V359-V393 HydrophobicContact CG1-CG1 3.9Å; V359-V393 HydrophobicContact CG1-CG2 3.84Å; I361-V393 HydrophobicContact CB-CG1 4.03Å; I361-V393 HydrophobicContact CG1-CG1 3.65Å; F385-V393 HydrophobicContact CB-CG1 3.88Å; F385-V393 WeakPolarHBondContact O-CG1 3.29Å; A388-V393 HydrophobicContact CB-CG2 3.76Å; R389-V393 PolarHBondContact O-N 3.42Å; R389-V393 VanDerWaalsContact O-N 3.08Å; V393-A397 WeakPolarHBondContact O-CB 3.3Å; V393-A397 PolarHBondContact O-N 3.42Å
394	L	95.6	Very high	95.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-43.9	171.2	-176.6	63.5	0	0	0	111.4	A390 V392 A397 V398 L437 V440 Y445 V446 F449 L450	A390-L394 WeakPolarHBondContact O-CB 3.34Å; A390-L394 PolarHBondContact O-N 3.37Å; A390-L394 VanDerWaalsContact O-N 3.16Å; V392-L394 VanDerWaalsContact C-N 3.34Å; V392-L394 PolarHBondContact O-N 3.05Å; L394-A397 PolarHBondContact O-N 2.84Å; L394-V398 HydrophobicContact CD1-CG2 3.91Å; L394-V398 HydrophobicContact CG-CG2 4.29Å; L394-V398 WeakPolarHBondContact O-CB 3.43Å; L394-V398 WeakPolarHBondContact O-CG2 3.48Å; L394-V398 PolarHBondContact O-N 2.85Å; L394-L437 HydrophobicContact CG-CD1 4.26Å; L394-V440 HydrophobicContact CB-CG2 4.32Å; L394-V440 HydrophobicContact CD2-CG2 3.48Å; L394-V440 VanDerWaalsContact CD2-CG2 3.48Å; L394-Y445 HydrophobicContact CD2-CE1 4.25Å; L394-V446 HydrophobicContact CB-CG1 4.17Å; L394-V446 HydrophobicContact CB-CG2 4.24Å; L394-V446 HydrophobicContact CD1-CG1 4.1Å; L394-F449 HydrophobicContact CD1-CB 4.15Å; L394-F449 HydrophobicContact CD1-CD1 3.7Å; L394-F449 HydrophobicContact CD1-CE1 4.37Å; L394-F449 HydrophobicContact CD1-CG 4.06Å; L394-F449 HydrophobicContact CD2-CD1 4.47Å; L394-F449 HydrophobicContact CD2-CG 4.29Å; L394-L450 HydrophobicContact CD1-CD2 3.83Å; L394-L450 HydrophobicContact CD1-CG 3.87Å
395	Q	96.6	Very high	95.2	Very high	47 Å²	47	27.3 Å²	27.3	22%	0.22	15%	0.152	C	C	.	.	H	α-helix	trans	-57.5	-50.1	176.9	-168.6	-81	-10.6	0	0	111.3	S391 V392 V398 Q399 E422 V423 I424 L437	S391-Q395 WeakPolarHBondContact O-CB 3.45Å; S391-Q395 PolarHBondContact O-N 3Å; V392-Q395 WeakPolarHBondContact O-CB 3.41Å; V392-Q395 PolarHBondContact O-N 3Å; Q395-V398 PolarHBondContact O-N 2.68Å; Q395-Q399 WeakPolarHBondContact O-CB 3.35Å; Q395-Q399 PolarHBondContact O-N 2.78Å; Q395-E422 HydrophobicContact CB-CB 3.81Å; Q395-E422 HydrophobicContact CB-CG 4.11Å; Q395-E422 HydrophobicContact CG-CB 3.67Å; Q395-E422 HydrophobicContact CG-CG 4.44Å; Q395-V423 WeakPolarHBondContact CG-O 3.44Å; Q395-V423 PolarHBondContact NE2-O 3.39Å; Q395-I424 HydrophobicContact CG-CG2 3.9Å; Q395-L437 HydrophobicContact CB-CD1 4.2Å
396	Q	97.1	Very high	95.2	Very high	71 Å²	71	32.6 Å²	32.6	33%	0.332	17%	0.173	S	C	.	.	H	α-helix	trans	-61.7	-47.6	-179.1	-72.1	172.9	-19.2	0	0	112	F385 V392 V398 Q399 A400	F385-Q396 HydrophobicContact CB-CB 4.5Å; F385-Q396 HydrophobicContact CD1-CB 3.71Å; F385-Q396 HydrophobicContact CE1-CB 4.3Å; F385-Q396 HydrophobicContact CG-CB 4.35Å; V392-Q396 HydrophobicContact CG1-CG 4.37Å; V392-Q396 WeakPolarHBondContact O-CG 3.43Å; V392-Q396 PolarHBondContact O-N 3.19Å; Q396-V398 PolarHBondContact O-N 2.84Å; Q396-Q399 PolarHBondContact O-N 3.43Å; Q396-A400 VanDerWaalsContact O-CB 3.26Å; Q396-A400 WeakPolarHBondContact O-CB 3.27Å; Q396-A400 PolarHBondContact O-N 3.26Å
397	A	97	Very high	95.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.7	-39.8	179.7	0	0	0	0	0	112.5	F385 V393 L394 C401 L450 F463	F385-A397 HydrophobicContact CD2-CB 4.33Å; V393-A397 WeakPolarHBondContact O-CB 3.3Å; V393-A397 PolarHBondContact O-N 3.42Å; L394-A397 PolarHBondContact O-N 2.84Å; A397-C401 PolarHBondContact O-N 2.88Å; A397-L450 HydrophobicContact CB-CD1 4.02Å; A397-L450 HydrophobicContact CB-CD2 3.82Å; A397-F463 HydrophobicContact CB-CE1 3.94Å; A397-F463 HydrophobicContact CB-CZ 3.88Å
398	V	97.4	Very high	95.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-72.5	-41	178	176.3	0	0	0	0	111.6	L394 Q395 Q396 C401 I402 L415 I424 L437 F449 L450 L453	L394-V398 HydrophobicContact CD1-CG2 3.91Å; L394-V398 HydrophobicContact CG-CG2 4.29Å; L394-V398 WeakPolarHBondContact O-CB 3.43Å; L394-V398 WeakPolarHBondContact O-CG2 3.48Å; L394-V398 PolarHBondContact O-N 2.85Å; Q395-V398 PolarHBondContact O-N 2.68Å; Q396-V398 PolarHBondContact O-N 2.84Å; V398-C401 WeakPolarHBondContact O-CB 3.37Å; V398-C401 PolarHBondContact O-N 3.27Å; V398-I402 HydrophobicContact CG1-CD1 4.3Å; V398-I402 PolarHBondContact O-N 2.86Å; V398-I402 VanDerWaalsContact O-N 3.16Å; V398-L415 HydrophobicContact CG1-CD1 3.54Å; V398-L415 HydrophobicContact CG1-CD2 4Å; V398-L415 HydrophobicContact CG1-CG 4.45Å; V398-I424 HydrophobicContact CG1-CD1 3.86Å; V398-I424 HydrophobicContact CG1-CG2 4.44Å; V398-L437 HydrophobicContact CG1-CD2 4.39Å; V398-F449 HydrophobicContact CG2-CD1 4.27Å; V398-F449 HydrophobicContact CG2-CE1 3.84Å; V398-L450 HydrophobicContact CG2-CD2 4Å; V398-L453 HydrophobicContact CB-CD2 4.43Å; V398-L453 HydrophobicContact CG1-CD2 4.22Å; V398-L453 HydrophobicContact CG2-CD2 3.89Å
399	Q	97.8	Very high	95.7	Very high	27 Å²	27	38.2 Å²	38.2	13%	0.126	18%	0.177	C	C	.	.	H	α-helix	trans	-62.6	-43.5	175.1	-172.5	61.3	60.1	0	0	110.9	Q395 Q396 C401 I402 D403 I424 S425	Q395-Q399 WeakPolarHBondContact O-CB 3.35Å; Q395-Q399 PolarHBondContact O-N 2.78Å; Q396-Q399 PolarHBondContact O-N 3.43Å; Q399-C401 VanDerWaalsContact C-N 3.3Å; Q399-C401 PolarHBondContact O-N 3.14Å; Q399-I402 WeakPolarHBondContact O-CA 3.43Å; Q399-I402 WeakPolarHBondContact O-CB 3.38Å; Q399-I402 PolarHBondContact O-N 3.29Å; Q399-D403 WeakPolarHBondContact CG-OD2 3.38Å; Q399-D403 PolarHBondContact NE2-OD1 3.09Å; Q399-D403 PolarHBondContact NE2-OD2 2.97Å; Q399-D403 VanDerWaalsContact O-CG 3.32Å; Q399-D403 PolarHBondContact O-N 2.63Å; Q399-I424 HydrophobicContact CB-CG2 4.42Å; Q399-S425 PolarHBondContact NE2-O 3.15Å; Q399-S425 PolarHBondContact OE1-O 3.26Å
400	A	97.2	Very high	95.8	Very high	8 Å²	8	35.4 Å²	35.4	7%	0.066	17%	0.172	C	C	.	.	H	α-helix	trans	-58.3	-38.1	174.7	0	0	0	0	0	113	L381 F385 Q396 C404	L381-A400 HydrophobicContact CD1-CB 3.93Å; L381-A400 HydrophobicContact CD2-CB 3.86Å; F385-A400 HydrophobicContact CE1-CB 4.19Å; F385-A400 HydrophobicContact CZ-CB 3.69Å; Q396-A400 VanDerWaalsContact O-CB 3.26Å; Q396-A400 WeakPolarHBondContact O-CB 3.27Å; Q396-A400 PolarHBondContact O-N 3.26Å; A400-C404 WeakPolarHBondContact O-CB 3.35Å; A400-C404 PolarHBondContact O-N 2.92Å; A400-C404 PolarHBondContact O-SG 3.23Å
401	C	96.6	Very high	95.8	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.02	17%	0.171	C	C	.	.	H	α-helix	trans	-65.4	-34.7	171.8	-73.5	0	0	0	0	113.2	L373 A397 V398 Q399 A405 V411 L457	L373-C401 HydrophobicContact CD2-CB 4.31Å; L373-C401 WeakPolarHBondContact CD2-O 3.38Å; A397-C401 PolarHBondContact O-N 2.88Å; V398-C401 WeakPolarHBondContact O-CB 3.37Å; V398-C401 PolarHBondContact O-N 3.27Å; Q399-C401 VanDerWaalsContact C-N 3.3Å; Q399-C401 PolarHBondContact O-N 3.14Å; C401-A405 PolarHBondContact O-N 3.19Å; C401-V411 HydrophobicContact CB-CG1 4.45Å; C401-L457 HydrophobicContact CB-CD1 4.27Å
402	I	97.1	Very high	95.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70	-45.7	176.2	-69.6	161.4	0	0	0	110.4	V398 Q399 C404 A405 Q408 V411 F412 L415 I424 A426	V398-I402 HydrophobicContact CG1-CD1 4.3Å; V398-I402 PolarHBondContact O-N 2.86Å; V398-I402 VanDerWaalsContact O-N 3.16Å; Q399-I402 WeakPolarHBondContact O-CA 3.43Å; Q399-I402 WeakPolarHBondContact O-CB 3.38Å; Q399-I402 PolarHBondContact O-N 3.29Å; I402-C404 VanDerWaalsContact C-N 3.34Å; I402-C404 PolarHBondContact O-N 2.73Å; I402-A405 WeakPolarHBondContact O-CB 3.41Å; I402-A405 PolarHBondContact O-N 3.35Å; I402-A405 VanDerWaalsContact O-N 3.09Å; I402-Q408 HydrophobicContact CG2-CB 4.18Å; I402-Q408 HydrophobicContact CG2-CG 4.16Å; I402-Q408 WeakPolarHBondContact O-CG 3.32Å; I402-Q408 PolarHBondContact O-NE2 2.78Å; I402-V411 HydrophobicContact CG1-CG1 3.85Å; I402-F412 HydrophobicContact CD1-CD2 3.97Å; I402-L415 HydrophobicContact CD1-CD1 3.91Å; I402-I424 HydrophobicContact CD1-CB 4.46Å; I402-I424 HydrophobicContact CD1-CD1 3.78Å; I402-A426 HydrophobicContact CG2-CB 3.79Å
403	D	96.2	Very high	95.9	Very high	75 Å²	75	38 Å²	38	40%	0.401	19%	0.188	S	C	.	.	H	α-helix	trans	-69.8	-35.1	-177.8	-59.5	-26.6	0	0	0	111.7	K377 Q399 A405 Q408	K377-D403 WeakPolarHBondContact CD-O 3.31Å; K377-D403 PolarHBondContact NZ-O 3.12Å; Q399-D403 WeakPolarHBondContact CG-OD2 3.38Å; Q399-D403 PolarHBondContact NE2-OD1 3.09Å; Q399-D403 PolarHBondContact NE2-OD2 2.97Å; Q399-D403 VanDerWaalsContact O-CG 3.32Å; Q399-D403 PolarHBondContact O-N 2.63Å; D403-A405 VanDerWaalsContact C-N 3.26Å; D403-A405 PolarHBondContact O-N 3.31Å; D403-Q408 PolarHBondContact OD1-NE2 2.59Å
404	C	96.8	Very high	95.8	Very high	4 Å²	4	41 Å²	41	3%	0.027	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.2	171.6	-67.5	0	0	0	0	114.4	D374 K377 V378 A400 I402	D374-C404 PolarHBondContact N-O 2.84Å; K377-C404 HydrophobicContact CB-CB 4.06Å; V378-C404 HydrophobicContact CG2-CB 3.85Å; A400-C404 WeakPolarHBondContact O-CB 3.35Å; A400-C404 PolarHBondContact O-N 2.92Å; A400-C404 PolarHBondContact O-SG 3.23Å; I402-C404 VanDerWaalsContact C-N 3.34Å; I402-C404 PolarHBondContact O-N 2.73Å
405	A	96.4	Very high	95.7	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.017	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-64.8	150.5	-177.1	0	0	0	0	0	112.8	H372 K377 C401 I402 D403 Q408 V411	H372-A405 WeakPolarHBondContact O-CA 3.39Å; K377-A405 PolarHBondContact NZ-O 3.38Å; C401-A405 PolarHBondContact O-N 3.19Å; I402-A405 WeakPolarHBondContact O-CB 3.41Å; I402-A405 PolarHBondContact O-N 3.35Å; I402-A405 VanDerWaalsContact O-N 3.09Å; D403-A405 VanDerWaalsContact C-N 3.26Å; D403-A405 PolarHBondContact O-N 3.31Å; A405-Q408 HydrophobicContact CB-CG 4.44Å; A405-V411 HydrophobicContact CB-CB 4.29Å; A405-V411 HydrophobicContact CB-CG2 3.55Å
406	Y	94.4	Very high	95.4	Very high	127 Å²	127	47.9 Å²	47.9	50%	0.498	23%	0.232	S	C	.	.	S	Bend	trans	-73.1	-35.9	160.7	-71.2	-61.1	0	0	0	111.5	H372 L373 D374	H372-Y406 PolarHBondContact O-N 3.19Å; L373-Y406 WeakPolarHBondContact O-CE2 3.48Å; D374-Y406 VanDerWaalsContact CA-CZ 3.46Å; D374-Y406 WeakPolarHBondContact CA-OH 3.39Å; D374-Y406 HydrophobicContact CB-CD1 4.1Å; D374-Y406 HydrophobicContact CB-CE1 3.55Å; D374-Y406 HydrophobicContact CB-CE2 4.25Å; D374-Y406 PolarHBondContact OD1-OH 3.36Å
407	H	95.4	Very high	95	Very high	134 Å²	134	51.5 Å²	51.5	62%	0.62	25%	0.249	S	C	*	.	S	Bend	trans	-135	95.6	179.4	-64.8	96.1	0	0	0	109.6	K409 T410 V411	H407-K409 PolarHBondContact O-N 3.09Å; H407-T410 WeakPolarHBondContact O-CB 3.47Å; H407-T410 PolarHBondContact O-N 3.17Å; H407-V411 PolarHBondContact O-N 3.2Å
408	Q	95.5	Very high	94.4	Very high	40 Å²	40	51.9 Å²	51.9	19%	0.187	25%	0.253	C	S	.	.	H	α-helix	trans	-54.6	-41.4	-175.9	-61.6	-152.1	-31.4	0	0	112.3	I402 D403 A405 T410 V411 F412 A426 V427	I402-Q408 HydrophobicContact CG2-CB 4.18Å; I402-Q408 HydrophobicContact CG2-CG 4.16Å; I402-Q408 WeakPolarHBondContact O-CG 3.32Å; I402-Q408 PolarHBondContact O-NE2 2.78Å; D403-Q408 PolarHBondContact OD1-NE2 2.59Å; A405-Q408 HydrophobicContact CB-CG 4.44Å; Q408-T410 PolarHBondContact O-N 3.11Å; Q408-T410 VanDerWaalsContact O-N 3.17Å; Q408-V411 PolarHBondContact O-N 3.23Å; Q408-V411 VanDerWaalsContact O-N 3.13Å; Q408-F412 VanDerWaalsContact O-CB 3.26Å; Q408-F412 WeakPolarHBondContact O-CB 3.4Å; Q408-F412 PolarHBondContact O-N 3.24Å; Q408-A426 HydrophobicContact CB-CB 4.14Å; Q408-V427 PolarHBondContact OE1-O 3.34Å
409	K	95.2	Very high	93.6	Very high	102 Å²	102	59.4 Å²	59.4	44%	0.443	29%	0.287	S	S	.	.	H	α-helix	trans	-53	-34.6	176.8	-167.5	170.4	-175.1	171.9	0	114	H407 S413 F428 D429	H407-K409 PolarHBondContact O-N 3.09Å; K409-S413 WeakPolarHBondContact O-CB 3.45Å; K409-S413 PolarHBondContact O-N 2.85Å; K409-S413 VanDerWaalsContact O-N 3.15Å; K409-S413 PolarHBondContact O-OG 3.06Å; K409-F428 HydrophobicContact CB-CB 3.96Å; K409-F428 HydrophobicContact CB-CD1 3.82Å; K409-F428 HydrophobicContact CB-CD2 3.97Å; K409-F428 HydrophobicContact CB-CE1 4.25Å; K409-F428 HydrophobicContact CB-CE2 4.38Å; K409-F428 HydrophobicContact CB-CG 3.66Å; K409-F428 HydrophobicContact CD-CD2 3.6Å; K409-F428 HydrophobicContact CD-CE2 3.94Å; K409-F428 HydrophobicContact CD-CG 4.13Å; K409-F428 HydrophobicContact CG-CD1 4.25Å; K409-F428 HydrophobicContact CG-CD2 3.7Å; K409-F428 HydrophobicContact CG-CE1 4.32Å; K409-F428 HydrophobicContact CG-CE2 3.77Å; K409-F428 HydrophobicContact CG-CG 3.94Å; K409-F428 HydrophobicContact CG-CZ 4.08Å; K409-D429 IonicContact NZ-OD1 3.92Å; K409-D429 IonicContact NZ-OD2 2.72Å; K409-D429 PolarHBondContact NZ-OD2 3.5Å
410	T	93.8	Very high	92.5	Very high	48 Å²	48	61.6 Å²	61.6	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-77.1	-41	179.2	-51.7	0	0	0	0	111.8	H407 Q408 S413 F414	H407-T410 WeakPolarHBondContact O-CB 3.47Å; H407-T410 PolarHBondContact O-N 3.17Å; Q408-T410 PolarHBondContact O-N 3.11Å; Q408-T410 VanDerWaalsContact O-N 3.17Å; T410-S413 PolarHBondContact O-OG 2.98Å; T410-S413 VanDerWaalsContact O-OG 3.11Å; T410-F414 HydrophobicContact CG2-CE1 4.42Å; T410-F414 HydrophobicContact CG2-CE2 4.38Å; T410-F414 HydrophobicContact CG2-CZ 3.92Å; T410-F414 WeakPolarHBondContact O-CG 3.5Å
411	V	93.8	Very high	92	Very high	1 Å²	1	62 Å²	62	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-68.7	-40.6	175.7	176.7	0	0	0	0	110.6	H372 L373 C401 I402 A405 H407 Q408 S413 F414 L457	H372-V411 HydrophobicContact CB-CG2 4.41Å; L373-V411 HydrophobicContact CD2-CG2 4.42Å; C401-V411 HydrophobicContact CB-CG1 4.45Å; I402-V411 HydrophobicContact CG1-CG1 3.85Å; A405-V411 HydrophobicContact CB-CB 4.29Å; A405-V411 HydrophobicContact CB-CG2 3.55Å; H407-V411 PolarHBondContact O-N 3.2Å; Q408-V411 PolarHBondContact O-N 3.23Å; Q408-V411 VanDerWaalsContact O-N 3.13Å; V411-S413 PolarHBondContact O-N 2.98Å; V411-F414 WeakPolarHBondContact O-CB 3.34Å; V411-F414 PolarHBondContact O-N 2.83Å; V411-L457 HydrophobicContact CB-CD2 4.3Å; V411-L457 HydrophobicContact CG1-CD2 4.05Å; V411-L457 HydrophobicContact CG2-CD2 3.62Å
412	F	94.1	Very high	91.7	Very high	21 Å²	21	64.6 Å²	64.6	9%	0.092	33%	0.334	C	S	.	.	H	α-helix	trans	-65.3	-35.5	179.1	-159.2	-101.4	0	0	0	112.5	I402 Q408 F414 L415 I424 A426 F428 H433 L435	I402-F412 HydrophobicContact CD1-CD2 3.97Å; Q408-F412 VanDerWaalsContact O-CB 3.26Å; Q408-F412 WeakPolarHBondContact O-CB 3.4Å; Q408-F412 PolarHBondContact O-N 3.24Å; F412-F414 VanDerWaalsContact C-N 3.29Å; F412-F414 PolarHBondContact O-N 3.4Å; F412-L415 WeakPolarHBondContact O-CB 3.11Å; F412-L415 PolarHBondContact O-N 2.98Å; F412-L415 VanDerWaalsContact O-N 3.14Å; F412-I424 HydrophobicContact CE2-CD1 4.36Å; F412-A426 HydrophobicContact CB-CB 4.27Å; F412-A426 HydrophobicContact CD2-CB 3.46Å; F412-A426 VanDerWaalsContact CD2-CB 3.46Å; F412-A426 HydrophobicContact CE2-CB 3.83Å; F412-A426 HydrophobicContact CG-CB 3.94Å; F412-F428 HydrophobicContact CB-CE1 4.16Å; F412-F428 AromaticContact CD1-CE1 3.87Å; F412-F428 HydrophobicContact CD1-CE1 3.87Å; F412-F428 HydrophobicContact CD1-CZ 4.14Å; F412-F428 HydrophobicContact CE1-CE1 4.44Å; F412-F428 HydrophobicContact CG-CE1 4.09Å; F412-H433 HydrophobicContact CE1-CB 3.92Å; F412-H433 HydrophobicContact CZ-CB 4.04Å; F412-L435 HydrophobicContact CE1-CB 4.14Å; F412-L435 HydrophobicContact CE1-CD1 4.47Å; F412-L435 HydrophobicContact CE2-CB 3.95Å; F412-L435 HydrophobicContact CZ-CB 3.49Å; F412-L435 VanDerWaalsContact CZ-CB 3.49Å
413	S	94	Very high	91.6	Very high	86 Å²	86	68.2 Å²	68.2	60%	0.601	36%	0.356	S	S	*	.	H	α-helix	trans	-75.1	-12.5	177.2	69.5	0	0	0	0	114.6	K409 T410 V411 L415	K409-S413 WeakPolarHBondContact O-CB 3.45Å; K409-S413 PolarHBondContact O-N 2.85Å; K409-S413 VanDerWaalsContact O-N 3.15Å; K409-S413 PolarHBondContact O-OG 3.06Å; T410-S413 PolarHBondContact O-OG 2.98Å; T410-S413 VanDerWaalsContact O-OG 3.11Å; V411-S413 PolarHBondContact O-N 2.98Å; S413-L415 VanDerWaalsContact C-N 3.26Å
414	F	93.4	Very high	91.6	Very high	65 Å²	65	64.8 Å²	64.8	29%	0.285	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.4	167.6	-60	-26.7	0	0	0	113	T410 V411 F412 N456 L457	T410-F414 HydrophobicContact CG2-CE1 4.42Å; T410-F414 HydrophobicContact CG2-CE2 4.38Å; T410-F414 HydrophobicContact CG2-CZ 3.92Å; T410-F414 WeakPolarHBondContact O-CG 3.5Å; V411-F414 WeakPolarHBondContact O-CB 3.34Å; V411-F414 PolarHBondContact O-N 2.83Å; F412-F414 VanDerWaalsContact C-N 3.29Å; F412-F414 PolarHBondContact O-N 3.4Å; F414-N456 HydrophobicContact CB-CB 4.32Å; F414-N456 HydrophobicContact CD2-CB 4.02Å; F414-N456 HydrophobicContact CE2-CB 4.48Å; F414-N456 WeakPolarHBondContact CE2-O 3.44Å; F414-N456 HydrophobicContact CG-CB 4.11Å; F414-L457 HydrophobicContact CD2-CD2 4.02Å; F414-L457 HydrophobicContact CD2-CG 4.47Å; F414-L457 HydrophobicContact CE2-CD2 4.05Å
415	L	93.8	Very high	91.6	Very high	15 Å²	15	66.1 Å²	66.1	8%	0.079	35%	0.347	C	S	.	.	S	Bend	trans	-94.4	149.2	-178.8	-55.7	171.9	0	0	0	110.3	V398 I402 F412 S413 I424 L435 F449 L453	V398-L415 HydrophobicContact CG1-CD1 3.54Å; V398-L415 HydrophobicContact CG1-CD2 4Å; V398-L415 HydrophobicContact CG1-CG 4.45Å; I402-L415 HydrophobicContact CD1-CD1 3.91Å; F412-L415 WeakPolarHBondContact O-CB 3.11Å; F412-L415 PolarHBondContact O-N 2.98Å; F412-L415 VanDerWaalsContact O-N 3.14Å; S413-L415 VanDerWaalsContact C-N 3.26Å; L415-I424 HydrophobicContact CD1-CD1 3.41Å; L415-I424 VanDerWaalsContact CD1-CD1 3.41Å; L415-L435 HydrophobicContact CB-CD1 4.25Å; L415-L435 HydrophobicContact CB-CD2 4.41Å; L415-F449 HydrophobicContact CD2-CE1 3.95Å; L415-F449 HydrophobicContact CD2-CZ 4Å; L415-L453 HydrophobicContact CD2-CD1 3.86Å; L415-L453 HydrophobicContact CD2-CD2 4.18Å
416	K	89.4	Confident	91.6	Very high	175 Å²	175	66.1 Å²	66.1	76%	0.761	35%	0.347	S	S	*	.			trans	-117.8	135.7	-179.9	-64.9	-171.7	178.6	-173.6	0	109.8	G418	K416-G418 PolarHBondContact O-N 3.15Å
417	Q	88.7	Confident	91.6	Very high	148 Å²	148	64.2 Å²	64.2	69%	0.692	35%	0.348	S	S	*	.			trans	-59.5	120.8	177	-170.9	175.6	16.3	0	0	110.2	L435	Q417-L435 HydrophobicContact CB-CD1 4.49Å; Q417-L435 HydrophobicContact CB-CG 4.45Å
418	G	85.9	Confident	91.5	Very high	8 Å²	8	59.2 Å²	59.2	8%	0.082	33%	0.325	C	S	.	.			trans	-105.3	-179	173.6	0	0	0	0	0	112.2	K416 N436	K416-G418 PolarHBondContact O-N 3.15Å; G418-N436 PolarHBondContact N-O 3.19Å
419	H	79.5	Confident	91.4	Very high	158 Å²	158	62.5 Å²	62.5	73%	0.731	34%	0.343	S	S	*	.	S	Bend	trans	-125.9	141	174.6	-59.6	85.9	0	0	0	108.5	G421 A439	H419-G421 VanDerWaalsContact C-N 3.35Å; H419-G421 PolarHBondContact O-N 3.39Å; H419-A439 WeakPolarHBondContact O-CB 3.43Å; H419-A439 PolarHBondContact O-N 3.42Å
420	G	75.8	Confident	91.2	Very high	73 Å²	73	69.4 Å²	69.4	75%	0.753	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	74.5	10.1	174.1	0	0	0	0	0	117	A439	G420-A439 WeakPolarHBondContact O-CA 3.31Å; G420-A439 WeakPolarHBondContact O-CB 3.4Å
421	G	85.9	Confident	91.1	Very high	17 Å²	17	73.3 Å²	73.3	18%	0.175	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	174.4	168.8	0	0	0	0	0	112.7	H419 L437	H419-G421 VanDerWaalsContact C-N 3.35Å; H419-G421 PolarHBondContact O-N 3.39Å; G421-L437 WeakPolarHBondContact CA-O 3.32Å; G421-L437 PolarHBondContact N-O 3.39Å; G421-L437 VanDerWaalsContact N-O 3.08Å
422	E	91.4	Very high	91.1	Very high	58 Å²	58	79.9 Å²	79.9	27%	0.271	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	160.5	179.8	-44.5	-70.4	172.8	0	0	111.7	R389 S391 Q395 L437	R389-E422 IonicContact CZ-OE1 3.22Å; R389-E422 IonicContact NH1-OE1 2.77Å; R389-E422 PolarHBondContact NH1-OE1 3.31Å; R389-E422 VanDerWaalsContact NH1-OE1 3.15Å; R389-E422 IonicContact NH2-OE1 3.69Å; R389-E422 PolarHBondContact NH2-OE1 3.42Å; S391-E422 WeakPolarHBondContact CB-OE1 3.36Å; S391-E422 WeakPolarHBondContact O-CG 3.25Å; S391-E422 PolarHBondContact OG-OE1 3.49Å; Q395-E422 HydrophobicContact CB-CB 3.81Å; Q395-E422 HydrophobicContact CB-CG 4.11Å; Q395-E422 HydrophobicContact CG-CB 3.67Å; Q395-E422 HydrophobicContact CG-CG 4.44Å; E422-L437 WeakPolarHBondContact O-CB 3.42Å; E422-L437 PolarHBondContact O-N 2.72Å
423	V	94.6	Very high	91.2	Very high	76 Å²	76	81.6 Å²	81.6	46%	0.461	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	138	179.9	-166.7	0	0	0	0	111.2	Q395 T434	Q395-V423 WeakPolarHBondContact CG-O 3.44Å; Q395-V423 PolarHBondContact NE2-O 3.39Å; V423-T434 HydrophobicContact CG1-CG2 4.43Å
424	I	96.7	Very high	91.2	Very high	2 Å²	2	81.9 Å²	81.9	1%	0.01	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	159.8	165.9	54.3	164.9	0	0	0	110.1	Q395 V398 Q399 I402 F412 L415 T434 L435 L437	Q395-I424 HydrophobicContact CG-CG2 3.9Å; V398-I424 HydrophobicContact CG1-CD1 3.86Å; V398-I424 HydrophobicContact CG1-CG2 4.44Å; Q399-I424 HydrophobicContact CB-CG2 4.42Å; I402-I424 HydrophobicContact CD1-CB 4.46Å; I402-I424 HydrophobicContact CD1-CD1 3.78Å; F412-I424 HydrophobicContact CE2-CD1 4.36Å; L415-I424 HydrophobicContact CD1-CD1 3.41Å; L415-I424 VanDerWaalsContact CD1-CD1 3.41Å; I424-T434 WeakPolarHBondContact O-CA 3.39Å; I424-L435 HydrophobicContact CD1-CB 4.35Å; I424-L435 HydrophobicContact CD1-CD2 3.95Å; I424-L435 HydrophobicContact CG1-CB 4.08Å; I424-L435 HydrophobicContact CG1-CD2 4.14Å; I424-L435 WeakPolarHBondContact CG1-O 3.32Å; I424-L435 PolarHBondContact N-O 3.2Å; I424-L435 PolarHBondContact O-N 3.37Å; I424-L437 HydrophobicContact CD1-CD2 3.94Å; I424-L437 HydrophobicContact CD1-CG 4.45Å; I424-L437 HydrophobicContact CG1-CD2 4.34Å; I424-L437 HydrophobicContact CG1-CG 4.33Å; I424-L437 HydrophobicContact CG2-CD1 3.87Å; I424-L437 HydrophobicContact CG2-CG 4.15Å
425	S	96.1	Very high	91.3	Very high	33 Å²	33	79.5 Å²	79.5	23%	0.231	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.1	176.1	77.5	0	0	0	0	113.9	Q399 Q432 H433	Q399-S425 PolarHBondContact NE2-O 3.15Å; Q399-S425 PolarHBondContact OE1-O 3.26Å; S425-Q432 PolarHBondContact OG-NE2 3.34Å; S425-H433 CarbonylContact C-O 3.53Å; S425-H433 WeakPolarHBondContact CA-O 3.32Å; S425-H433 WeakPolarHBondContact CB-O 3.48Å
426	A	96.4	Very high	91.3	Very high	1 Å²	1	81.9 Å²	81.9	1%	0.008	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.2	172.9	0	0	0	0	0	109.6	I402 Q408 F412 F428 H433	I402-A426 HydrophobicContact CG2-CB 3.79Å; Q408-A426 HydrophobicContact CB-CB 4.14Å; F412-A426 HydrophobicContact CB-CB 4.27Å; F412-A426 HydrophobicContact CD2-CB 3.46Å; F412-A426 VanDerWaalsContact CD2-CB 3.46Å; F412-A426 HydrophobicContact CE2-CB 3.83Å; F412-A426 HydrophobicContact CG-CB 3.94Å; A426-F428 HydrophobicContact CB-CD1 3.89Å; A426-F428 HydrophobicContact CB-CE1 3.91Å; A426-H433 PolarHBondContact N-O 3Å; A426-H433 PolarHBondContact O-N 3.48Å
427	V	93.7	Very high	91.5	Very high	87 Å²	87	73.6 Å²	73.6	53%	0.527	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.4	172.8	-177.6	0	0	0	0	108.5	Q408 Q432	Q408-V427 PolarHBondContact OE1-O 3.34Å; V427-Q432 HydrophobicContact CG2-CB 4.49Å; V427-Q432 HydrophobicContact CG2-CG 4.41Å
428	F	94.1	Very high	91.7	Very high	30 Å²	30	67.9 Å²	67.9	13%	0.132	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.5	174	54.4	-100.3	0	0	0	110	K409 F412 A426 R430 E431 H433	K409-F428 HydrophobicContact CB-CB 3.96Å; K409-F428 HydrophobicContact CB-CD1 3.82Å; K409-F428 HydrophobicContact CB-CD2 3.97Å; K409-F428 HydrophobicContact CB-CE1 4.25Å; K409-F428 HydrophobicContact CB-CE2 4.38Å; K409-F428 HydrophobicContact CB-CG 3.66Å; K409-F428 HydrophobicContact CD-CD2 3.6Å; K409-F428 HydrophobicContact CD-CE2 3.94Å; K409-F428 HydrophobicContact CD-CG 4.13Å; K409-F428 HydrophobicContact CG-CD1 4.25Å; K409-F428 HydrophobicContact CG-CD2 3.7Å; K409-F428 HydrophobicContact CG-CE1 4.32Å; K409-F428 HydrophobicContact CG-CE2 3.77Å; K409-F428 HydrophobicContact CG-CG 3.94Å; K409-F428 HydrophobicContact CG-CZ 4.08Å; F412-F428 HydrophobicContact CB-CE1 4.16Å; F412-F428 AromaticContact CD1-CE1 3.87Å; F412-F428 HydrophobicContact CD1-CE1 3.87Å; F412-F428 HydrophobicContact CD1-CZ 4.14Å; F412-F428 HydrophobicContact CE1-CE1 4.44Å; F412-F428 HydrophobicContact CG-CE1 4.09Å; A426-F428 HydrophobicContact CB-CD1 3.89Å; A426-F428 HydrophobicContact CB-CE1 3.91Å; F428-R430 PolarHBondContact O-N 2.96Å; F428-E431 PolarHBondContact N-O 2.97Å; F428-E431 PolarHBondContact O-N 3.2Å; F428-H433 AromaticContact CD2-CE1 3.68Å; F428-H433 AromaticContact CD2-ND1 3.84Å; F428-H433 HydrophobicContact CE1-CB 3.85Å; F428-H433 AromaticContact CE1-CG 3.81Å; F428-H433 AromaticContact CE2-CD2 3.54Å; F428-H433 AromaticContact CE2-CE1 3.32Å; F428-H433 WeakPolarHBondContact CE2-CE1 3.14Å; F428-H433 AromaticContact CE2-CG 3.67Å; F428-H433 AromaticContact CE2-ND1 3.53Å; F428-H433 AromaticContact CE2-NE2 3.31Å; F428-H433 VanDerWaalsContact CE2-NE2 3.31Å; F428-H433 WeakPolarHBondContact CE2-NE2 3.38Å; F428-H433 HydrophobicContact CZ-CB 3.8Å; F428-H433 AromaticContact CZ-CD2 3.39Å; F428-H433 WeakPolarHBondContact CZ-CD2 3.46Å; F428-H433 AromaticContact CZ-CE1 3.86Å; F428-H433 AromaticContact CZ-CG 3.34Å; F428-H433 AromaticContact CZ-ND1 3.65Å; F428-H433 AromaticContact CZ-NE2 3.71Å
429	D	92.2	Very high	91.8	Very high	108 Å²	108	70 Å²	70	58%	0.578	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	18.8	-173.1	-49	-30.1	0	0	0	114.7	K409 E431	K409-D429 IonicContact NZ-OD1 3.92Å; K409-D429 IonicContact NZ-OD2 2.72Å; K409-D429 PolarHBondContact NZ-OD2 3.5Å; D429-E431 VanDerWaalsContact C-N 3.34Å
430	R	91.8	Very high	92.2	Very high	247 Å²	247	63.8 Å²	63.8	93%	0.932	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	11.2	-172.1	-49.7	-178.8	179.6	-170.2	-0.8	115.9	F428	F428-R430 PolarHBondContact O-N 2.96Å
431	E	92.1	Very high	92.3	Very high	131 Å²	131	66.8 Å²	66.8	61%	0.612	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	142.2	177.1	-64.5	-174.8	160.4	0	0	111.7	F428 D429 H433	F428-E431 PolarHBondContact N-O 2.97Å; F428-E431 PolarHBondContact O-N 3.2Å; D429-E431 VanDerWaalsContact C-N 3.34Å; E431-H433 PolarHBondContact O-N 3.45Å; E431-H433 PolarHBondContact O-ND1 3.02Å
432	Q	94.1	Very high	92.3	Very high	139 Å²	139	67.9 Å²	67.9	65%	0.65	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.7	175.1	-172.1	-179.8	11.7	0	0	109.9	S425 V427	S425-Q432 PolarHBondContact OG-NE2 3.34Å; V427-Q432 HydrophobicContact CG2-CB 4.49Å; V427-Q432 HydrophobicContact CG2-CG 4.41Å
433	H	94.8	Very high	92.1	Very high	57 Å²	57	68.1 Å²	68.1	26%	0.264	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132	177.6	-69	70.6	0	0	0	109.3	F412 S425 A426 F428 E431	F412-H433 HydrophobicContact CE1-CB 3.92Å; F412-H433 HydrophobicContact CZ-CB 4.04Å; S425-H433 CarbonylContact C-O 3.53Å; S425-H433 WeakPolarHBondContact CA-O 3.32Å; S425-H433 WeakPolarHBondContact CB-O 3.48Å; A426-H433 PolarHBondContact N-O 3Å; A426-H433 PolarHBondContact O-N 3.48Å; F428-H433 AromaticContact CD2-CE1 3.68Å; F428-H433 AromaticContact CD2-ND1 3.84Å; F428-H433 HydrophobicContact CE1-CB 3.85Å; F428-H433 AromaticContact CE1-CG 3.81Å; F428-H433 AromaticContact CE2-CD2 3.54Å; F428-H433 AromaticContact CE2-CE1 3.32Å; F428-H433 WeakPolarHBondContact CE2-CE1 3.14Å; F428-H433 AromaticContact CE2-CG 3.67Å; F428-H433 AromaticContact CE2-ND1 3.53Å; F428-H433 AromaticContact CE2-NE2 3.31Å; F428-H433 VanDerWaalsContact CE2-NE2 3.31Å; F428-H433 WeakPolarHBondContact CE2-NE2 3.38Å; F428-H433 HydrophobicContact CZ-CB 3.8Å; F428-H433 AromaticContact CZ-CD2 3.39Å; F428-H433 WeakPolarHBondContact CZ-CD2 3.46Å; F428-H433 AromaticContact CZ-CE1 3.86Å; F428-H433 AromaticContact CZ-CG 3.34Å; F428-H433 AromaticContact CZ-ND1 3.65Å; F428-H433 AromaticContact CZ-NE2 3.71Å; E431-H433 PolarHBondContact O-N 3.45Å; E431-H433 PolarHBondContact O-ND1 3.02Å
434	T	95.4	Very high	91.8	Very high	91 Å²	91	68.3 Å²	68.3	56%	0.558	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.2	178.7	53.9	0	0	0	0	111.3	V423 I424	V423-T434 HydrophobicContact CG1-CG2 4.43Å; I424-T434 WeakPolarHBondContact O-CA 3.39Å
435	L	94.8	Very high	91.6	Very high	16 Å²	16	72 Å²	72	8%	0.084	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	131	177.2	-178	147.6	0	0	0	109.2	F412 L415 Q417 I424 L437	F412-L435 HydrophobicContact CE1-CB 4.14Å; F412-L435 HydrophobicContact CE1-CD1 4.47Å; F412-L435 HydrophobicContact CE2-CB 3.95Å; F412-L435 HydrophobicContact CZ-CB 3.49Å; F412-L435 VanDerWaalsContact CZ-CB 3.49Å; L415-L435 HydrophobicContact CB-CD1 4.25Å; L415-L435 HydrophobicContact CB-CD2 4.41Å; Q417-L435 HydrophobicContact CB-CD1 4.49Å; Q417-L435 HydrophobicContact CB-CG 4.45Å; I424-L435 HydrophobicContact CD1-CB 4.35Å; I424-L435 HydrophobicContact CD1-CD2 3.95Å; I424-L435 HydrophobicContact CG1-CB 4.08Å; I424-L435 HydrophobicContact CG1-CD2 4.14Å; I424-L435 WeakPolarHBondContact CG1-O 3.32Å; I424-L435 PolarHBondContact N-O 3.2Å; I424-L435 PolarHBondContact O-N 3.37Å; L435-L437 HydrophobicContact CD2-CD2 4.24Å
436	N	93.7	Very high	91.4	Very high	64 Å²	64	70.4 Å²	70.4	34%	0.342	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.7	172.4	-63.8	-4.3	0	0	0	108.3	G418	G418-N436 PolarHBondContact N-O 3.19Å
437	L	94.3	Very high	91.2	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.01	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	160	170.1	-67.2	175.6	0	0	0	110.3	L394 Q395 V398 G421 E422 I424 L435 F449	L394-L437 HydrophobicContact CG-CD1 4.26Å; Q395-L437 HydrophobicContact CB-CD1 4.2Å; V398-L437 HydrophobicContact CG1-CD2 4.39Å; G421-L437 WeakPolarHBondContact CA-O 3.32Å; G421-L437 PolarHBondContact N-O 3.39Å; G421-L437 VanDerWaalsContact N-O 3.08Å; E422-L437 WeakPolarHBondContact O-CB 3.42Å; E422-L437 PolarHBondContact O-N 2.72Å; I424-L437 HydrophobicContact CD1-CD2 3.94Å; I424-L437 HydrophobicContact CD1-CG 4.45Å; I424-L437 HydrophobicContact CG1-CD2 4.34Å; I424-L437 HydrophobicContact CG1-CG 4.33Å; I424-L437 HydrophobicContact CG2-CD1 3.87Å; I424-L437 HydrophobicContact CG2-CG 4.15Å; L435-L437 HydrophobicContact CD2-CD2 4.24Å; L437-F449 HydrophobicContact CD2-CZ 4.08Å
438	P	92	Very high	91.1	Very high	28 Å²	28	75.8 Å²	75.8	18%	0.182	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	148.8	169.6	-20.8	34.5	0	0	0	111.9	V440 Y445 F449	P438-V440 PolarHBondContact O-N 3.17Å; P438-Y445 WeakPolarHBondContact CB-OH 3.41Å; P438-Y445 WeakPolarHBondContact CG-OH 3.45Å; P438-F449 HydrophobicContact CG-CE2 4.27Å
439	A	88	Confident	91.2	Very high	52 Å²	52	76.1 Å²	76.1	43%	0.43	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-54.4	126.3	173.1	0	0	0	0	0	111.7	H419 G420	H419-A439 WeakPolarHBondContact O-CB 3.43Å; H419-A439 PolarHBondContact O-N 3.42Å; G420-A439 WeakPolarHBondContact O-CA 3.31Å; G420-A439 WeakPolarHBondContact O-CB 3.4Å
440	V	88.4	Confident	91.3	Very high	27 Å²	27	71.2 Å²	71.2	16%	0.164	35%	0.352	C	S	.	.			trans	-96.4	108.9	-179	-178.8	0	0	0	0	110	A390 L394 P438 Y445 V446	A390-V440 HydrophobicContact CB-CG1 3.64Å; L394-V440 HydrophobicContact CB-CG2 4.32Å; L394-V440 HydrophobicContact CD2-CG2 3.48Å; L394-V440 VanDerWaalsContact CD2-CG2 3.48Å; P438-V440 PolarHBondContact O-N 3.17Å; V440-Y445 HydrophobicContact CG1-CD1 4.36Å; V440-Y445 HydrophobicContact CG2-CD1 4.17Å; V440-Y445 HydrophobicContact CG2-CE1 4.35Å; V440-V446 HydrophobicContact CG1-CG2 3.5Å
441	N	78.7	Confident	91.4	Very high	136 Å²	136	64 Å²	64	73%	0.727	33%	0.329	S	S	*	.			trans	-104.8	-1.4	179.1	64.8	-2.1	0	0	0	114.1
442	S	85.1	Confident	91.4	Very high	41 Å²	41	62.9 Å²	62.9	29%	0.287	32%	0.322	S	S	.	.			trans	-158.8	146	-175.9	178.9	0	0	0	0	113.2	T444 Y445 V446	S442-T444 PolarHBondContact O-N 2.89Å; S442-T444 PolarHBondContact OG-N 3.4Å; S442-T444 VanDerWaalsContact OG-N 3.14Å; S442-Y445 VanDerWaalsContact O-CB 3.31Å; S442-Y445 WeakPolarHBondContact O-CB 3.25Å; S442-Y445 PolarHBondContact O-N 3.39Å; S442-Y445 VanDerWaalsContact O-N 3.09Å; S442-V446 PolarHBondContact O-N 3.36Å
443	I	87.5	Confident	91.5	Very high	63 Å²	63	56.5 Å²	56.5	32%	0.323	29%	0.292	S	S	.	.	H	α-helix	trans	-58.4	-37.7	169.7	-58.1	178.9	0	0	0	110.9	P357 T358 V359 Y445 V446 L447	P357-I443 HydrophobicContact CB-CD1 4.4Å; P357-I443 HydrophobicContact CB-CG1 4.09Å; T358-I443 VanDerWaalsContact O-CD1 3.23Å; T358-I443 WeakPolarHBondContact O-CD1 3.33Å; V359-I443 HydrophobicContact CB-CD1 4.47Å; V359-I443 HydrophobicContact CB-CG1 4.25Å; V359-I443 HydrophobicContact CB-CG2 4.26Å; V359-I443 HydrophobicContact CG2-CG2 3.71Å; I443-Y445 PolarHBondContact O-N 3.36Å; I443-V446 PolarHBondContact O-N 3.05Å; I443-L447 HydrophobicContact CG2-CD1 4.29Å; I443-L447 PolarHBondContact O-N 2.73Å; I443-L447 VanDerWaalsContact O-N 3.13Å
444	T	88.1	Confident	91.4	Very high	80 Å²	80	54.1 Å²	54.1	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-64.6	-30.4	177.8	-47	0	0	0	0	111.8	S442 R448	S442-T444 PolarHBondContact O-N 2.89Å; S442-T444 PolarHBondContact OG-N 3.4Å; S442-T444 VanDerWaalsContact OG-N 3.14Å; T444-R448 HydrophobicContact CG2-CG 4.44Å; T444-R448 WeakPolarHBondContact O-CB 3.5Å; T444-R448 VanDerWaalsContact O-CG 3.25Å; T444-R448 WeakPolarHBondContact O-CG 3.32Å; T444-R448 PolarHBondContact O-N 3.43Å
445	Y	91.8	Very high	91.3	Very high	79 Å²	79	55.1 Å²	55.1	31%	0.31	28%	0.28	S	S	.	.	H	α-helix	trans	-66.7	-46.7	174.1	-176.4	-90.5	0	0	0	111.3	L394 P438 V440 S442 I443 L447 R448 F449	L394-Y445 HydrophobicContact CD2-CE1 4.25Å; P438-Y445 WeakPolarHBondContact CB-OH 3.41Å; P438-Y445 WeakPolarHBondContact CG-OH 3.45Å; V440-Y445 HydrophobicContact CG1-CD1 4.36Å; V440-Y445 HydrophobicContact CG2-CD1 4.17Å; V440-Y445 HydrophobicContact CG2-CE1 4.35Å; S442-Y445 VanDerWaalsContact O-CB 3.31Å; S442-Y445 WeakPolarHBondContact O-CB 3.25Å; S442-Y445 PolarHBondContact O-N 3.39Å; S442-Y445 VanDerWaalsContact O-N 3.09Å; I443-Y445 PolarHBondContact O-N 3.36Å; Y445-L447 VanDerWaalsContact C-N 3.35Å; Y445-L447 PolarHBondContact O-N 3.09Å; Y445-R448 PolarHBondContact O-N 3.37Å; Y445-F449 HydrophobicContact CE1-CB 4.36Å; Y445-F449 AromaticContact CE1-CD2 3.96Å; Y445-F449 HydrophobicContact CE1-CD2 3.96Å; Y445-F449 VanDerWaalsContact O-CB 3.32Å; Y445-F449 WeakPolarHBondContact O-CB 3.42Å; Y445-F449 PolarHBondContact O-N 3.33Å
446	V	92.7	Very high	91.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-54.9	-50.7	176.1	-180	0	0	0	0	110.8	I361 A390 L394 V440 S442 I443 F449 L450	I361-V446 HydrophobicContact CD1-CG1 4.27Å; I361-V446 HydrophobicContact CG1-CG1 4.23Å; A390-V446 HydrophobicContact CB-CG2 3.91Å; A390-V446 WeakPolarHBondContact O-CG2 3.41Å; L394-V446 HydrophobicContact CB-CG1 4.17Å; L394-V446 HydrophobicContact CB-CG2 4.24Å; L394-V446 HydrophobicContact CD1-CG1 4.1Å; V440-V446 HydrophobicContact CG1-CG2 3.5Å; S442-V446 PolarHBondContact O-N 3.36Å; I443-V446 PolarHBondContact O-N 3.05Å; V446-F449 PolarHBondContact O-N 3.06Å; V446-L450 HydrophobicContact CG1-CD1 3.94Å; V446-L450 HydrophobicContact CG1-CG 4.43Å; V446-L450 WeakPolarHBondContact O-CB 2.93Å; V446-L450 WeakPolarHBondContact O-CG 3.36Å; V446-L450 PolarHBondContact O-N 3.13Å
447	L	92.1	Very high	91.2	Very high	51 Å²	51	53.7 Å²	53.7	27%	0.267	27%	0.272	S	S	.	.	H	α-helix	trans	-61.1	-47.9	-179.3	-67.1	172	0	0	0	112.1	I361 I443 Y445 F449 L450 E451 N465	I361-L447 HydrophobicContact CD1-CD2 3.51Å; I361-L447 HydrophobicContact CD1-CG 4.41Å; I443-L447 HydrophobicContact CG2-CD1 4.29Å; I443-L447 PolarHBondContact O-N 2.73Å; I443-L447 VanDerWaalsContact O-N 3.13Å; Y445-L447 VanDerWaalsContact C-N 3.35Å; Y445-L447 PolarHBondContact O-N 3.09Å; L447-F449 VanDerWaalsContact C-N 3.34Å; L447-F449 PolarHBondContact O-N 3.34Å; L447-L450 PolarHBondContact O-N 3.22Å; L447-E451 WeakPolarHBondContact O-CB 3.35Å; L447-E451 PolarHBondContact O-N 2.64Å; L447-N465 HydrophobicContact CD1-CB 4.32Å; L447-N465 HydrophobicContact CD2-CB 3.97Å
448	R	92.1	Very high	91.1	Very high	149 Å²	149	61.5 Å²	61.5	56%	0.562	30%	0.301	S	S	*	.	H	α-helix	trans	-65.8	-33.5	178.3	-71.4	-82.4	101.8	161.5	4.9	112.9	T444 Y445 E451 K452	T444-R448 HydrophobicContact CG2-CG 4.44Å; T444-R448 WeakPolarHBondContact O-CB 3.5Å; T444-R448 VanDerWaalsContact O-CG 3.25Å; T444-R448 WeakPolarHBondContact O-CG 3.32Å; T444-R448 PolarHBondContact O-N 3.43Å; Y445-R448 PolarHBondContact O-N 3.37Å; R448-E451 VanDerWaalsContact CZ-CD 3.48Å; R448-E451 IonicContact CZ-OE1 2.67Å; R448-E451 IonicContact CZ-OE2 3.07Å; R448-E451 IonicContact NE-OE1 3.39Å; R448-E451 IonicContact NE-OE2 3.51Å; R448-E451 PolarHBondContact NE-OE2 3.12Å; R448-E451 IonicContact NH1-OE1 2.75Å; R448-E451 IonicContact NH2-OE1 3.96Å; R448-E451 PolarHBondContact NH2-OE1 3.41Å; R448-E451 IonicContact NH2-OE2 2.63Å; R448-E451 PolarHBondContact NH2-OE2 3.45Å; R448-K452 WeakPolarHBondContact O-CB 3.44Å; R448-K452 PolarHBondContact O-N 2.86Å; R448-K452 VanDerWaalsContact O-N 3.12Å
449	F	95.1	Very high	90.9	Very high	38 Å²	38	60.1 Å²	60.1	17%	0.167	29%	0.293	C	S	.	.	H	α-helix	trans	-68.4	-50.3	175.4	-170.1	-73.3	0	0	0	110.8	L394 V398 L415 L437 P438 Y445 V446 L447 E451 K452 L453	L394-F449 HydrophobicContact CD1-CB 4.15Å; L394-F449 HydrophobicContact CD1-CD1 3.7Å; L394-F449 HydrophobicContact CD1-CE1 4.37Å; L394-F449 HydrophobicContact CD1-CG 4.06Å; L394-F449 HydrophobicContact CD2-CD1 4.47Å; L394-F449 HydrophobicContact CD2-CG 4.29Å; V398-F449 HydrophobicContact CG2-CD1 4.27Å; V398-F449 HydrophobicContact CG2-CE1 3.84Å; L415-F449 HydrophobicContact CD2-CE1 3.95Å; L415-F449 HydrophobicContact CD2-CZ 4Å; L437-F449 HydrophobicContact CD2-CZ 4.08Å; P438-F449 HydrophobicContact CG-CE2 4.27Å; Y445-F449 HydrophobicContact CE1-CB 4.36Å; Y445-F449 AromaticContact CE1-CD2 3.96Å; Y445-F449 HydrophobicContact CE1-CD2 3.96Å; Y445-F449 VanDerWaalsContact O-CB 3.32Å; Y445-F449 WeakPolarHBondContact O-CB 3.42Å; Y445-F449 PolarHBondContact O-N 3.33Å; V446-F449 PolarHBondContact O-N 3.06Å; L447-F449 VanDerWaalsContact C-N 3.34Å; L447-F449 PolarHBondContact O-N 3.34Å; F449-E451 PolarHBondContact O-N 2.84Å; F449-K452 PolarHBondContact O-N 3.3Å; F449-L453 PolarHBondContact O-N 2.97Å
450	L	95.1	Very high	90.5	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-63.2	-41.6	178.9	-69.6	178.5	0	0	0	111.7	I361 L394 A397 V398 V446 L447 K452 L453 C454 F463	I361-L450 HydrophobicContact CG1-CD1 4.29Å; I361-L450 HydrophobicContact CG2-CD1 3.9Å; L394-L450 HydrophobicContact CD1-CD2 3.83Å; L394-L450 HydrophobicContact CD1-CG 3.87Å; A397-L450 HydrophobicContact CB-CD1 4.02Å; A397-L450 HydrophobicContact CB-CD2 3.82Å; V398-L450 HydrophobicContact CG2-CD2 4Å; V446-L450 HydrophobicContact CG1-CD1 3.94Å; V446-L450 HydrophobicContact CG1-CG 4.43Å; V446-L450 WeakPolarHBondContact O-CB 2.93Å; V446-L450 WeakPolarHBondContact O-CG 3.36Å; V446-L450 PolarHBondContact O-N 3.13Å; L447-L450 PolarHBondContact O-N 3.22Å; L450-K452 VanDerWaalsContact C-N 3.35Å; L450-K452 PolarHBondContact O-N 2.83Å; L450-L453 PolarHBondContact O-N 3.08Å; L450-C454 WeakPolarHBondContact O-CB 3.47Å; L450-C454 PolarHBondContact O-N 3.08Å; L450-C454 PolarHBondContact O-SG 3.4Å; L450-C454 VanDerWaalsContact O-SG 3.32Å; L450-F463 HydrophobicContact CB-CD2 4.05Å; L450-F463 HydrophobicContact CD1-CB 4.48Å; L450-F463 HydrophobicContact CD1-CD2 4.24Å; L450-F463 HydrophobicContact CD1-CG 4.25Å; L450-F463 HydrophobicContact CD2-CD2 4.09Å; L450-F463 HydrophobicContact CD2-CE2 3.95Å; L450-F463 HydrophobicContact CG-CD2 4.36Å
451	E	93	Very high	90.3	Very high	97 Å²	97	66.4 Å²	66.4	45%	0.453	32%	0.318	S	S	.	.	H	α-helix	trans	-57.6	-44	173	-178.5	-178.5	161.8	0	0	112.2	L447 R448 F449 H455	L447-E451 WeakPolarHBondContact O-CB 3.35Å; L447-E451 PolarHBondContact O-N 2.64Å; R448-E451 VanDerWaalsContact CZ-CD 3.48Å; R448-E451 IonicContact CZ-OE1 2.67Å; R448-E451 IonicContact CZ-OE2 3.07Å; R448-E451 IonicContact NE-OE1 3.39Å; R448-E451 IonicContact NE-OE2 3.51Å; R448-E451 PolarHBondContact NE-OE2 3.12Å; R448-E451 IonicContact NH1-OE1 2.75Å; R448-E451 IonicContact NH2-OE1 3.96Å; R448-E451 PolarHBondContact NH2-OE1 3.41Å; R448-E451 IonicContact NH2-OE2 2.63Å; R448-E451 PolarHBondContact NH2-OE2 3.45Å; F449-E451 PolarHBondContact O-N 2.84Å; E451-H455 WeakPolarHBondContact O-CB 3.23Å; E451-H455 PolarHBondContact O-N 2.67Å
452	K	93.7	Very high	90.9	Very high	107 Å²	107	60 Å²	60	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-70.6	-32.7	176.3	-174.8	51.6	180	148.2	0	112.7	R448 F449 L450 H455 N456	R448-K452 WeakPolarHBondContact O-CB 3.44Å; R448-K452 PolarHBondContact O-N 2.86Å; R448-K452 VanDerWaalsContact O-N 3.12Å; F449-K452 PolarHBondContact O-N 3.3Å; L450-K452 VanDerWaalsContact C-N 3.35Å; L450-K452 PolarHBondContact O-N 2.83Å; K452-H455 PolarHBondContact NZ-CD2 2.77Å; K452-N456 VanDerWaalsContact CE-OD1 3.32Å; K452-N456 WeakPolarHBondContact CE-OD1 3.26Å; K452-N456 PolarHBondContact NZ-OD1 2.64Å; K452-N456 PolarHBondContact O-N 3.21Å; K452-N456 VanDerWaalsContact O-N 3.1Å; K452-N456 PolarHBondContact O-OD1 3.43Å
453	L	94.7	Very high	91.3	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-67.6	-49	173.3	179.5	57.1	0	0	0	111.2	V398 L415 F449 L450 H455 N456 L457	V398-L453 HydrophobicContact CB-CD2 4.43Å; V398-L453 HydrophobicContact CG1-CD2 4.22Å; V398-L453 HydrophobicContact CG2-CD2 3.89Å; L415-L453 HydrophobicContact CD2-CD1 3.86Å; L415-L453 HydrophobicContact CD2-CD2 4.18Å; F449-L453 PolarHBondContact O-N 2.97Å; L450-L453 PolarHBondContact O-N 3.08Å; L453-H455 VanDerWaalsContact C-N 3.31Å; L453-H455 PolarHBondContact O-N 3.38Å; L453-N456 PolarHBondContact O-N 3.24Å; L453-N456 VanDerWaalsContact O-N 3.11Å; L453-L457 HydrophobicContact CD1-CD1 3.94Å; L453-L457 HydrophobicContact CD1-CG 4.1Å; L453-L457 HydrophobicContact CG-CD1 3.78Å; L453-L457 HydrophobicContact CG-CG 4.39Å; L453-L457 WeakPolarHBondContact O-CB 3.4Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.46Å; L453-L457 PolarHBondContact O-N 2.9Å
454	C	93.9	Very high	91.3	Very high	7 Å²	7	57.1 Å²	57.1	5%	0.047	27%	0.267	C	S	.	.	H	α-helix	trans	-53.1	-46.9	173.6	-75.7	0	0	0	0	112.1	L450 N456 L457 R458 S459 F463	L450-C454 WeakPolarHBondContact O-CB 3.47Å; L450-C454 PolarHBondContact O-N 3.08Å; L450-C454 PolarHBondContact O-SG 3.4Å; L450-C454 VanDerWaalsContact O-SG 3.32Å; C454-N456 PolarHBondContact O-N 3.28Å; C454-L457 CarbonylContact O-C 3.46Å; C454-L457 PolarHBondContact O-N 2.91Å; C454-L457 VanDerWaalsContact O-N 3.17Å; C454-R458 PolarHBondContact O-N 3.12Å; C454-S459 WeakPolarHBondContact CB-O 3.49Å; C454-S459 PolarHBondContact O-N 2.85Å; C454-F463 VanDerWaalsContact SG-CD2 3.59Å
455	H	92.6	Very high	91.1	Very high	112 Å²	112	58.4 Å²	58.4	52%	0.519	27%	0.272	S	S	.	.	H	α-helix	trans	-62.1	-41.9	176.8	177.4	88.8	0	0	0	112.5	E451 K452 L453 L457 R458	E451-H455 WeakPolarHBondContact O-CB 3.23Å; E451-H455 PolarHBondContact O-N 2.67Å; K452-H455 PolarHBondContact NZ-CD2 2.77Å; L453-H455 VanDerWaalsContact C-N 3.31Å; L453-H455 PolarHBondContact O-N 3.38Å; H455-L457 VanDerWaalsContact C-N 3.32Å; H455-L457 PolarHBondContact O-N 2.94Å; H455-R458 PolarHBondContact O-N 3.02Å
456	N	93.5	Very high	90.7	Very high	49 Å²	49	61.2 Å²	61.2	26%	0.262	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-35.3	174.4	-66.2	-7.9	0	0	0	112.1	F414 K452 L453 C454 R458	F414-N456 HydrophobicContact CB-CB 4.32Å; F414-N456 HydrophobicContact CD2-CB 4.02Å; F414-N456 HydrophobicContact CE2-CB 4.48Å; F414-N456 WeakPolarHBondContact CE2-O 3.44Å; F414-N456 HydrophobicContact CG-CB 4.11Å; K452-N456 VanDerWaalsContact CE-OD1 3.32Å; K452-N456 WeakPolarHBondContact CE-OD1 3.26Å; K452-N456 PolarHBondContact NZ-OD1 2.64Å; K452-N456 PolarHBondContact O-N 3.21Å; K452-N456 VanDerWaalsContact O-N 3.1Å; K452-N456 PolarHBondContact O-OD1 3.43Å; L453-N456 PolarHBondContact O-N 3.24Å; L453-N456 VanDerWaalsContact O-N 3.11Å; C454-N456 PolarHBondContact O-N 3.28Å; N456-R458 VanDerWaalsContact C-N 3.27Å; N456-R458 PolarHBondContact O-N 3.19Å
457	L	92.6	Very high	90.1	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-76.5	-11.1	175.3	-67.1	168	0	0	0	113.6	H372 L373 C401 V411 F414 L453 C454 H455 S459	H372-L457 HydrophobicContact CB-CD2 3.83Å; H372-L457 PolarHBondContact CD2-O 3.11Å; L373-L457 HydrophobicContact CD1-CD1 4.26Å; L373-L457 HydrophobicContact CD2-CD1 4.41Å; L373-L457 HydrophobicContact CD2-CD2 4.25Å; C401-L457 HydrophobicContact CB-CD1 4.27Å; V411-L457 HydrophobicContact CB-CD2 4.3Å; V411-L457 HydrophobicContact CG1-CD2 4.05Å; V411-L457 HydrophobicContact CG2-CD2 3.62Å; F414-L457 HydrophobicContact CD2-CD2 4.02Å; F414-L457 HydrophobicContact CD2-CG 4.47Å; F414-L457 HydrophobicContact CE2-CD2 4.05Å; L453-L457 HydrophobicContact CD1-CD1 3.94Å; L453-L457 HydrophobicContact CD1-CG 4.1Å; L453-L457 HydrophobicContact CG-CD1 3.78Å; L453-L457 HydrophobicContact CG-CG 4.39Å; L453-L457 WeakPolarHBondContact O-CB 3.4Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.46Å; L453-L457 PolarHBondContact O-N 2.9Å; C454-L457 CarbonylContact O-C 3.46Å; C454-L457 PolarHBondContact O-N 2.91Å; C454-L457 VanDerWaalsContact O-N 3.17Å; H455-L457 VanDerWaalsContact C-N 3.32Å; H455-L457 PolarHBondContact O-N 2.94Å; L457-S459 VanDerWaalsContact CB-OG 3.22Å; L457-S459 WeakPolarHBondContact CB-OG 3.47Å; L457-S459 PolarHBondContact O-N 2.77Å; L457-S459 PolarHBondContact O-OG 2.92Å
458	R	91.6	Very high	89.4	Confident	166 Å²	166	66.9 Å²	66.9	63%	0.626	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	37.2	-168	-53.7	172.8	58.5	-153.3	-4.5	112.7	G370 C454 H455 N456	G370-R458 WeakPolarHBondContact CA-O 3.33Å; C454-R458 PolarHBondContact O-N 3.12Å; H455-R458 PolarHBondContact O-N 3.02Å; N456-R458 VanDerWaalsContact C-N 3.27Å; N456-R458 PolarHBondContact O-N 3.19Å
459	S	87.9	Confident	87.9	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.328	C	S	.	.			trans	-113.8	57.6	-176.9	-43.1	0	0	0	0	110	S368 T369 C454 L457 L462	S368-S459 CarbonylContact O-C 3.5Å; S368-S459 VanDerWaalsContact O-CA 3.24Å; S368-S459 WeakPolarHBondContact O-CA 3.46Å; T369-S459 VanDerWaalsContact C-OG 3.26Å; T369-S459 PolarHBondContact O-OG 3.29Å; C454-S459 WeakPolarHBondContact CB-O 3.49Å; C454-S459 PolarHBondContact O-N 2.85Å; L457-S459 VanDerWaalsContact CB-OG 3.22Å; L457-S459 WeakPolarHBondContact CB-OG 3.47Å; L457-S459 PolarHBondContact O-N 2.77Å; L457-S459 PolarHBondContact O-OG 2.92Å; S459-L462 VanDerWaalsContact O-CB 3.27Å; S459-L462 WeakPolarHBondContact O-CB 3.39Å; S459-L462 PolarHBondContact O-N 3.23Å
460	D	80.8	Confident	85.7	Confident	87 Å²	87	72.1 Å²	72.1	47%	0.465	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	138	-172.6	-62.2	-56.5	0	0	0	112.1	L462	D460-L462 VanDerWaalsContact C-N 3.27Å; D460-L462 PolarHBondContact O-N 3.45Å
461	N	83.5	Confident	82.9	Confident	123 Å²	123	77.6 Å²	77.6	66%	0.658	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	23	-174.9	-48	-70.3	0	0	0	115.5	N364 F463	N364-N461 WeakPolarHBondContact CB-O 3.44Å; N364-N461 PolarHBondContact ND2-O 3.13Å; N461-F463 VanDerWaalsContact C-N 3.35Å
462	L	91.3	Very high	80.2	Confident	2 Å²	2	81.1 Å²	81.1	1%	0.01	40%	0.403	C	S	.	.	S	Bend	trans	-65.1	-33.6	173.5	179.7	67.2	0	0	0	113.2	L363 N364 L373 V378 S459 D460	L363-L462 HydrophobicContact CD1-CD1 3.85Å; L363-L462 HydrophobicContact CD1-CG 4.05Å; N364-L462 PolarHBondContact N-O 3.39Å; L373-L462 HydrophobicContact CD1-CD2 3.5Å; L373-L462 VanDerWaalsContact CD1-CD2 3.5Å; V378-L462 HydrophobicContact CG1-CD1 3.96Å; S459-L462 VanDerWaalsContact O-CB 3.27Å; S459-L462 WeakPolarHBondContact O-CB 3.39Å; S459-L462 PolarHBondContact O-N 3.23Å; D460-L462 VanDerWaalsContact C-N 3.27Å; D460-L462 PolarHBondContact O-N 3.45Å
463	F	94.2	Very high	77.3	Confident	30 Å²	30	83.9 Å²	83.9	13%	0.132	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.8	177.2	-65.2	-65.1	0	0	0	111.7	I361 Y362 L363 F385 A397 L450 C454 N461	I361-F463 HydrophobicContact CG2-CB 3.96Å; I361-F463 HydrophobicContact CG2-CD1 3.81Å; I361-F463 HydrophobicContact CG2-CG 4.16Å; Y362-F463 CarbonylContact O-C 3Å; Y362-F463 WeakPolarHBondContact O-CA 3.48Å; L363-F463 HydrophobicContact CD1-CD1 4.03Å; L363-F463 HydrophobicContact CD1-CE1 3.68Å; L363-F463 HydrophobicContact CD1-CZ 4.41Å; F385-F463 HydrophobicContact CD2-CE1 4.39Å; F385-F463 HydrophobicContact CE2-CE1 4.07Å; A397-F463 HydrophobicContact CB-CE1 3.94Å; A397-F463 HydrophobicContact CB-CZ 3.88Å; L450-F463 HydrophobicContact CB-CD2 4.05Å; L450-F463 HydrophobicContact CD1-CB 4.48Å; L450-F463 HydrophobicContact CD1-CD2 4.24Å; L450-F463 HydrophobicContact CD1-CG 4.25Å; L450-F463 HydrophobicContact CD2-CD2 4.09Å; L450-F463 HydrophobicContact CD2-CE2 3.95Å; L450-F463 HydrophobicContact CG-CD2 4.36Å; C454-F463 VanDerWaalsContact SG-CD2 3.59Å; N461-F463 VanDerWaalsContact C-N 3.35Å
464	G	86.9	Confident	74.5	Confident	13 Å²	13	89.2 Å²	89.2	13%	0.134	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.4	178.6	0	0	0	0	0	113.3	Y362	Y362-G464 PolarHBondContact N-O 2.86Å; Y362-G464 PolarHBondContact O-N 3.47Å
465	N	84.3	Confident	71.5	Confident	108 Å²	108	96.9 Å²	96.9	58%	0.578	50%	0.5	S	S	*	.	S	Bend	trans	-98.7	7.9	175.2	67.3	-23.3	0	0	0	113.5	L447	L447-N465 HydrophobicContact CD1-CB 4.32Å; L447-N465 HydrophobicContact CD2-CB 3.97Å
466	Q	82.6	Confident	68.6	Low	138 Å²	138	97.5 Å²	97.5	65%	0.645	51%	0.511	S	S	*	.	S	Bend	trans	-142.8	156.9	174.6	-66.5	-172.3	-5	0	0	109.2	Y362	Y362-Q466 WeakPolarHBondContact CB-O 3.17Å; Y362-Q466 WeakPolarHBondContact CD2-O 3.31Å
467	P	80.9	Confident	65.6	Low	84 Å²	84	100 Å²	100	55%	0.545	54%	0.539	S	S	.	.			trans	-58.8	139.7	174.7	-19.9	29.9	0	0	0	112.2	Y362 I469	Y362-P467 HydrophobicContact CD1-CB 4.14Å; Y362-P467 HydrophobicContact CD1-CG 4.13Å; Y362-P467 HydrophobicContact CE1-CB 4.14Å; Y362-P467 HydrophobicContact CE1-CG 3.68Å; Y362-P467 HydrophobicContact CE2-CG 4.28Å; P467-I469 PolarHBondContact O-N 2.97Å
468	F	76.7	Confident	62.6	Low	86 Å²	86	106.4 Å²	106.4	38%	0.377	58%	0.578	S	S	.	*			trans	-81.1	108.3	174.8	-67.8	-81.2	0	0	0	110.4	N364 Q470	N364-F468 HydrophobicContact CB-CD1 4.07Å; N364-F468 HydrophobicContact CB-CD2 3.9Å; N364-F468 HydrophobicContact CB-CE1 3.84Å; N364-F468 HydrophobicContact CB-CE2 3.66Å; N364-F468 HydrophobicContact CB-CG 4.11Å; N364-F468 HydrophobicContact CB-CZ 3.64Å; F468-Q470 PolarHBondContact O-N 2.86Å
469	I	60.8	Low	59.8	Low	149 Å²	149	107 Å²	107	76%	0.764	59%	0.588	S	S	*	*			trans	-71.5	123.2	176.2	-58.4	176.7	0	0	0	109.2	P467 T471	P467-I469 PolarHBondContact O-N 2.97Å; I469-T471 HydrophobicContact CG2-CG2 4.41Å; I469-T471 PolarHBondContact O-N 3.18Å
470	Q	48.6	Very low	56.8	Low	148 Å²	148	118.5 Å²	118.5	69%	0.692	63%	0.633	S	S	*	*			trans	-82.3	73.9	-172.3	-167.5	169.5	7.3	0	0	112.4	F468 H472	F468-Q470 PolarHBondContact O-N 2.86Å; Q470-H472 PolarHBondContact O-N 2.95Å; Q470-H472 VanDerWaalsContact O-N 3.15Å
471	T	36.6	Very low	54.3	Low	119 Å²	119	119.1 Å²	119.1	73%	0.73	64%	0.644	S	S	*	*			trans	-72.5	102.6	174.8	53.1	0	0	0	0	111.1	I469 L473	I469-T471 HydrophobicContact CG2-CG2 4.41Å; I469-T471 PolarHBondContact O-N 3.18Å; T471-L473 VanDerWaalsContact C-N 3.28Å; T471-L473 PolarHBondContact O-N 2.94Å
472	H	36.6	Very low	51.8	Low	171 Å²	171	121.8 Å²	121.8	79%	0.792	65%	0.652	S	S	*	*			trans	-80.3	65.4	-176	-167	-72.3	0	0	0	113	Q470	Q470-H472 PolarHBondContact O-N 2.95Å; Q470-H472 VanDerWaalsContact O-N 3.15Å
473	L	32.9	Very low	48.8	Very low	164 Å²	164	126.7 Å²	126.7	86%	0.859	69%	0.687	S	S	*	*			trans	-132.6	105.9	172	-76	175.5	0	0	0	111.1	T471	T471-L473 VanDerWaalsContact C-N 3.28Å; T471-L473 PolarHBondContact O-N 2.94Å
474	S	35.3	Very low	45.9	Very low	118 Å²	118	133.1 Å²	133.1	83%	0.825	72%	0.717	S	S	*	*			trans	-75.4	123.2	169.5	-56.7	0	0	0	0	110.4
475	L	31.7	Very low	43.3	Very low	168 Å²	168	138.9 Å²	138.9	88%	0.88	75%	0.745	S	S	*	*			trans	-143.4	154.2	155.7	-102.5	173	0	0	0	109.9
476	T	31.4	Very low	40.6	Very low	125 Å²	125	144.4 Å²	144.4	77%	0.767	76%	0.757	S	S	*	*			trans	-77.6	137.4	-160.7	45.8	0	0	0	0	113.9
477	A	29.7	Very low	38	Very low	101 Å²	101	148.3 Å²	148.3	84%	0.835	77%	0.768	S	S	*	*			trans	-78	141.3	161	0	0	0	0	0	110.4
478	T	30.5	Very low	35.4	Very low	135 Å²	135	152 Å²	152	83%	0.828	78%	0.782	S	S	*	*			trans	-134.1	140.3	158.3	-42.2	0	0	0	0	107.2
479	E	32.2	Very low	33.9	Very low	178 Å²	178	153.8 Å²	153.8	83%	0.832	80%	0.802	S	S	*	*			trans	-78.4	148.7	-167.2	-58.3	168.6	116.1	0	0	111.9
480	Y	26	Very low	32.1	Very low	241 Å²	241	150.1 Å²	150.1	95%	0.945	80%	0.801	S	S	*	*				-151.1	132.7	125.2	-109.6	-72.4	0	0	0	109.8
481	S	27.6	Very low	31	Very low	100 Å²	100	151.9 Å²	151.9	70%	0.699	81%	0.809	S	S	*	*			trans	-137.8	116.5	-176.6	174.9	0	0	0	0	110.2
482	H	31.2	Very low	30.5	Very low	179 Å²	179	152.5 Å²	152.5	83%	0.829	81%	0.814	S	S	*	*			trans	-159.8	131.6	151.1	-123.2	31.8	0	0	0	117.8
483	S	28.5	Very low	29.9	Very low	106 Å²	106	153.9 Å²	153.9	74%	0.741	82%	0.817	S	S	*	*			trans	67.8	140.9	139.4	61.6	0	0	0	0	122.2
484	H	32.7	Very low	29.6	Very low	165 Å²	165	152.3 Å²	152.3	76%	0.764	81%	0.814	S	S	*	*			trans	-82.2	155.8	175.2	-103	-68.8	0	0	0	113.9
485	D	31.8	Very low	29.1	Very low	133 Å²	133	154.1 Å²	154.1	71%	0.711	81%	0.814	S	S	*	*			trans	50	132.7	143.5	-55.7	-17.1	0	0	0	121.6
486	R	29.2	Very low	28.7	Very low	224 Å²	224	149.8 Å²	149.8	85%	0.845	81%	0.81	S	S	*	*				-166.1	128.7	121.2	-105.3	-164.1	-72.3	172	-2.9	114.1
487	Y	26.5	Very low	28.5	Very low	220 Å²	220	151 Å²	151	86%	0.863	81%	0.812	S	S	*	*			trans	62.9	138.6	154.1	-74.6	-95.1	0	0	0	122.8
488	L	26.9	Very low	28.3	Very low	161 Å²	161	150.4 Å²	150.4	84%	0.843	80%	0.802	S	S	*	*			trans	-84.4	177.9	160.1	-68.7	167.3	0	0	0	110.8
489	P	45.3	Very low	28.2	Very low	124 Å²	124	151.9 Å²	151.9	81%	0.805	80%	0.804	S	S	*	*			cis	-126.9	175.1	-24.1	33.4	-16.4	0	0	0	113.1
490	G	23.4	Very low	27.9	Very low	72 Å²	72	148.3 Å²	148.3	74%	0.742	80%	0.804	S	S	*	*			trans	164.8	101.6	162.9	0	0	0	0	0	117.8
491	E	25.3	Very low	27.9	Very low	185 Å²	185	148.8 Å²	148.8	86%	0.864	80%	0.804	S	S	*	*			trans	34.7	158.1	146.6	-59.4	-165.9	125.7	0	0	125.6
492	T	25.1	Very low	27.7	Very low	133 Å²	133	149 Å²	149	82%	0.816	81%	0.806	S	S	*	*			trans	68	95.5	160.7	34.7	0	0	0	0	120.3
493	F	24.2	Very low	27.6	Very low	199 Å²	199	147.6 Å²	147.6	87%	0.873	80%	0.804	S	S	*	*			trans	-63.7	137.6	148.3	-115.1	-106.6	0	0	0	111
494	V	26.4	Very low	27.5	Very low	131 Å²	131	150.6 Å²	150.6	79%	0.794	81%	0.806	S	S	*	*			trans	-138.7	143.6	156.5	-177.8	0	0	0	0	108.6
495	L	24.8	Very low	27.6	Very low	157 Å²	157	147.5 Å²	147.5	82%	0.822	80%	0.801	S	S	*	*			trans	-69.8	144.8	179.3	-112	67.6	0	0	0	112.3
496	G	24.8	Very low	27.3	Very low	77 Å²	77	150.3 Å²	150.3	79%	0.794	81%	0.809	S	S	*	*			trans	-148.8	117	168.7	0	0	0	0	0	110.2
497	N	25.7	Very low	27.2	Very low	150 Å²	150	143.2 Å²	143.2	80%	0.802	79%	0.794	S	S	*	*			trans	-103	152.4	-168.4	-119.9	10.6	0	0	0	112.9
498	S	26	Very low	27.2	Very low	89 Å²	89	139.6 Å²	139.6	62%	0.622	79%	0.789	S	S	*	*			trans	70.8	119.7	146.9	-61.4	0	0	0	0	122.2
499	L	28.1	Very low	27.1	Very low	166 Å²	166	136.9 Å²	136.9	87%	0.869	78%	0.784	S	S	*	*				61.9	112.8	123.1	-60.8	171.1	0	0	0	121.1
500	A	26.3	Very low	26.5	Very low	102 Å²	102	138.2 Å²	138.2	84%	0.843	78%	0.781	S	S	*	*			trans	-34.2	145.5	156.9	0	0	0	0	0	118.8
501	R	25.9	Very low	26.7	Very low	251 Å²	251	140.6 Å²	140.6	95%	0.947	78%	0.777	S	S	*	*				-150.6	157	121.7	-175.6	157.5	-87	145.7	-5.4	111.2
502	S	24.4	Very low	26.9	Very low	105 Å²	105	136.2 Å²	136.2	73%	0.734	77%	0.767	S	S	*	*			trans	-80.1	174.7	-170.6	-160.4	0	0	0	0	115.6
503	L	27.3	Very low	27	Very low	150 Å²	150	134.2 Å²	134.2	79%	0.785	76%	0.764	S	S	*	*			trans	94.9	104.4	159.1	-64.3	168.1	0	0	0	119.7
504	E	28.3	Very low	27.2	Very low	169 Å²	169	130.6 Å²	130.6	79%	0.79	76%	0.764	S	S	*	*			trans	56.8	146.2	136.8	-62	-51.5	101.9	0	0	122.8
505	P	33	Very low	27.2	Very low	100 Å²	100	131.9 Å²	131.9	65%	0.649	77%	0.766	S	S	*	*			trans	-95	157.8	-176.5	38.4	-34.8	0	0	0	113.4
506	H	26.1	Very low	28.6	Very low	191 Å²	191	129.1 Å²	129.1	88%	0.884	76%	0.757	S	S	*	*			trans	-143.9	167.6	135.9	-121.3	-78	0	0	0	111.3
507	S	26.8	Very low	28.7	Very low	76 Å²	76	130.7 Å²	130.7	53%	0.531	75%	0.752	S	S	.	*			trans	-96.2	179.9	-160.8	48.7	0	0	0	0	114.5
508	D	26.1	Very low	28.8	Very low	143 Å²	143	129.6 Å²	129.6	77%	0.765	75%	0.746	S	S	*	*			trans	77	139.9	158	-51.1	-53.7	0	0	0	116.6
509	S	26.3	Very low	28.8	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	76%	0.755	S	S	*	*			cis	-153.3	-169	-5.1	-152.5	0	0	0	0	112.7
510	M	32.5	Very low	28.7	Very low	152 Å²	152	132.1 Å²	132.1	75%	0.749	75%	0.749	S	S	*	*			trans	-57.4	171.4	174.3	-50.2	173.1	65.9	0	0	112.7
511	D	26.6	Very low	28.7	Very low	121 Å²	121	132.3 Å²	132.3	65%	0.647	74%	0.744	S	S	*	*			cis	-159.9	162.2	21.7	-149.4	-8	0	0	0	116
512	S	30.8	Very low	28.8	Very low	93 Å²	93	126.1 Å²	126.1	65%	0.65	73%	0.734	S	S	*	*			trans	37.4	123.8	142.4	-73.6	0	0	0	0	124.4
513	A	27.3	Very low	28.9	Very low	92 Å²	92	125.2 Å²	125.2	76%	0.76	73%	0.728	S	S	*	*				70.6	124.6	124	0	0	0	0	0	122
514	S	26.8	Very low	29	Very low	123 Å²	123	126 Å²	126	86%	0.86	73%	0.728	S	S	*	*				-167.8	153.3	95.1	33.7	0	0	0	0	114.4
515	N	27	Very low	29.1	Very low	157 Å²	157	127.6 Å²	127.6	84%	0.84	73%	0.726	S	S	*	*			trans	-99	-178.1	172.8	-99.2	-30.7	0	0	0	109.1
516	P	54.4	Low	28.8	Very low	99 Å²	99	130.5 Å²	130.5	64%	0.643	73%	0.731	S	S	*	*			cis	-134.4	-166.6	-46.4	38.2	-20.4	0	0	0	110.9
517	T	27.7	Very low	28.9	Very low	111 Å²	111	132.6 Å²	132.6	68%	0.681	73%	0.731	S	S	*	*				163.3	126.3	119.3	40	0	0	0	0	116.9
518	N	27.7	Very low	30.4	Very low	127 Å²	127	133.4 Å²	133.4	68%	0.679	73%	0.734	S	S	*	*				64.2	158.1	129.4	-56.5	-15	0	0	0	125.3
519	F	26.3	Very low	30.5	Very low	187 Å²	187	134.7 Å²	134.7	82%	0.82	74%	0.74	S	S	*	*			trans	72	120.4	169.1	-55.4	-72.5	0	0	0	117.4
520	V	25.6	Very low	30.8	Very low	121 Å²	121	136.6 Å²	136.6	73%	0.733	74%	0.742	S	S	*	*			cis	110.7	111.8	12.2	176.5	0	0	0	0	113.8
521	S	25.6	Very low	31.6	Very low	105 Å²	105	135.2 Å²	135.2	73%	0.734	74%	0.744	S	S	*	*			trans	69.1	161.4	162.4	-60.5	0	0	0	0	116.8
522	T	27.3	Very low	31.8	Very low	122 Å²	122	134.5 Å²	134.5	75%	0.748	75%	0.749	S	S	*	*			cis	-153.7	143.4	19.8	-29.8	0	0	0	0	114.5
523	S	28.2	Very low	31.7	Very low	86 Å²	86	136.7 Å²	136.7	60%	0.601	76%	0.762	S	S	*	*			trans	54.2	136.4	138.5	-84.4	0	0	0	0	125.5
524	Q	28.8	Very low	31.7	Very low	167 Å²	167	136 Å²	136	78%	0.78	76%	0.763	S	S	*	*			trans	75	155	133.5	-70.3	173.8	50.6	0	0	120.5
525	R	30.1	Very low	31.7	Very low	202 Å²	202	138.4 Å²	138.4	76%	0.762	77%	0.766	S	S	*	*			cis	-172.6	169.6	-36.2	-123.9	-169.9	-175	-169.7	3	110.4
526	H	26.5	Very low	32.5	Very low	160 Å²	160	136.4 Å²	136.4	74%	0.741	76%	0.761	S	S	*	*			trans	95.1	160.8	157.1	-65.7	-62.3	0	0	0	122.1
527	R	29.2	Very low	32.7	Very low	235 Å²	235	137.2 Å²	137.2	89%	0.887	77%	0.767	S	S	*	*			trans	-170.3	179.1	-166.1	-132.9	-166.3	-176.2	-151.1	5.9	105.1
528	P	57.3	Low	32.8	Very low	93 Å²	93	137.4 Å²	137.4	60%	0.604	77%	0.773	S	S	*	*			cis	-130.8	-171.4	-20.5	35.4	-15.2	0	0	0	112.9
529	L	28	Very low	32.8	Very low	171 Å²	171	137.3 Å²	137.3	90%	0.895	78%	0.777	S	S	*	*				173.1	177.9	119.1	-91	170	0	0	0	113.7
530	L	33.1	Very low	33	Very low	145 Å²	145	133 Å²	133	76%	0.759	78%	0.776	S	S	*	*			trans	-139	162.8	-169.2	-116.5	169.3	0	0	0	110.6
531	P	49.1	Very low	33.2	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	78%	0.779	S	S	*	*				-146.4	-171.8	113.1	36.2	-17.9	0	0	0	115.5
532	S	31.8	Very low	33.3	Very low	106 Å²	106	131.9 Å²	131.9	74%	0.741	78%	0.778	S	S	*	*			trans	-126.6	-178.2	-152.9	-49.5	0	0	0	0	116.7
533	C	28.8	Very low	33.4	Very low	139 Å²	139	133 Å²	133	94%	0.939	79%	0.785	S	S	*	*			trans	121.5	144.7	160	-67.9	0	0	0	0	114.1
534	G	25.8	Very low	33.5	Very low	76 Å²	76	139.6 Å²	139.6	78%	0.784	80%	0.796	S	S	*	*			cis	-156.6	-157.8	4.7	0	0	0	0	0	114.4
535	L	26.8	Very low	33.5	Very low	175 Å²	175	143.2 Å²	143.2	92%	0.916	80%	0.803	S	S	*	*			trans	-144.6	174	-159	-94.5	173.7	0	0	0	112
536	P	45.4	Very low	33.3	Very low	114 Å²	114	140.7 Å²	140.7	74%	0.74	80%	0.804	S	S	*	*			cis	-133.7	-130.3	-20.3	48.2	-27.9	0	0	0	112.3
537	P	57.8	Low	33.3	Very low	116 Å²	116	139.4 Å²	139.4	75%	0.753	81%	0.812	S	S	*	*			trans	-131.6	-172.6	-163.1	44.1	-22.1	0	0	0	118.2
538	S	28.8	Very low	33.3	Very low	116 Å²	116	133 Å²	133	81%	0.811	80%	0.803	S	S	*	*			trans	-165.6	154.1	154.4	-98.1	0	0	0	0	120.4
539	T	29.1	Very low	31.9	Very low	125 Å²	125	140.4 Å²	140.4	77%	0.767	82%	0.818	S	S	*	*			trans	-8.7	134.1	163.1	49.9	0	0	0	0	126.2
540	A	29.1	Very low	31.8	Very low	96 Å²	96	135.6 Å²	135.6	79%	0.793	81%	0.81	S	S	*	*				78	144.7	117.8	0	0	0	0	0	125.4
541	S	29.8	Very low	31.7	Very low	114 Å²	114	134.7 Å²	134.7	80%	0.797	81%	0.811	S	S	*	*			trans	93.9	94.9	142.9	-147.4	0	0	0	0	122.5
542	A	27.6	Very low	30.6	Very low	88 Å²	88	136.3 Å²	136.3	73%	0.727	81%	0.812	S	S	*	*				70.6	175.2	121.7	0	0	0	0	0	123.3
543	V	30.9	Very low	30.3	Very low	145 Å²	145	140.9 Å²	140.9	88%	0.879	82%	0.818	S	S	*	*			trans	87.6	124	171.4	-170	0	0	0	0	117.7
544	R	30.1	Very low	30.2	Very low	225 Å²	225	137.5 Å²	137.5	85%	0.849	81%	0.807	S	S	*	*			trans	-85.8	151.2	173.1	-48.6	165.5	-179.5	159.6	-2.6	110.3
545	R	27.9	Very low	30.2	Very low	244 Å²	244	139.4 Å²	139.4	92%	0.921	81%	0.808	S	S	*	*				-169.8	160.7	122.7	-105.1	165.8	-154.9	-134.9	5.6	112.8
546	L	26.8	Very low	30.2	Very low	148 Å²	148	139.1 Å²	139.1	78%	0.775	81%	0.808	S	S	*	*			trans	-82.8	156.5	177.1	-61.9	72.6	0	0	0	110.5
547	C	26.3	Very low	29.3	Very low	134 Å²	134	140 Å²	140	91%	0.905	80%	0.802	S	S	*	*			trans	-142.8	161.1	134.8	-101.1	0	0	0	0	109
548	S	28.1	Very low	27.9	Very low	100 Å²	100	144 Å²	144	70%	0.699	80%	0.802	S	S	*	*			trans	-143.6	147.8	-170	-61	0	0	0	0	113.3
549	R	29.3	Very low	28.1	Very low	248 Å²	248	146.1 Å²	146.1	94%	0.936	79%	0.792	S	S	*	*			trans	68.7	155.5	160.2	-76.1	176.8	142.9	177.8	-6.9	118.9
550	G	26.1	Very low	28.1	Very low	70 Å²	70	145.9 Å²	145.9	72%	0.722	79%	0.786	S	S	*	*			trans	112.6	91.5	-172.2	0	0	0	0	0	109.9
551	V	29.3	Very low	28	Very low	127 Å²	127	148.7 Å²	148.7	77%	0.77	79%	0.785	S	S	*	*			cis	69.9	90.4	28.6	-171.5	0	0	0	0	114
552	L	26.2	Very low	27.9	Very low	157 Å²	157	150.1 Å²	150.1	82%	0.822	78%	0.779	S	S	*	*			trans	173.2	118	134	-88.5	171.3	0	0	0	105.4
553	K	27	Very low	28	Very low	201 Å²	201	150.7 Å²	150.7	87%	0.874	78%	0.777	S	S	*	*			cis	93.9	111.7	45.6	-168.5	-175.5	-172.9	-174.5	0	111.7
554	G	25.2	Very low	27.7	Very low	68 Å²	68	150.7 Å²	150.7	70%	0.701	77%	0.766	S	S	*	*			trans	152.9	78.4	178.7	0	0	0	0	0	111.1
555	S	26	Very low	27.7	Very low	116 Å²	116	151.2 Å²	151.2	81%	0.811	77%	0.768	S	S	*	*				80.8	103.6	63	78.3	0	0	0	0	115
556	N	27	Very low	27.9	Very low	170 Å²	170	148.3 Å²	148.3	91%	0.909	76%	0.762	S	S	*	*				-150.2	148.7	126.1	-145.6	-2.6	0	0	0	110.7
557	E	25.9	Very low	28	Very low	132 Å²	132	148.3 Å²	148.3	62%	0.617	76%	0.762	S	S	*	*			trans	-112.7	156.8	-178.4	-62.6	-175.6	157.4	0	0	111.6	R559	E557-R559 IonicContact OE2-CZ 3.41Å; E557-R559 IonicContact OE2-NE 2.88Å; E557-R559 PolarHBondContact OE2-NE 3.15Å; E557-R559 IonicContact OE2-NH2 2.66Å; E557-R559 PolarHBondContact OE2-NH2 3.16Å
558	R	29	Very low	28	Very low	200 Å²	200	148.4 Å²	148.4	76%	0.755	75%	0.754	S	S	*	*				172.6	137.4	112.4	-87.7	169.2	-172.7	-153.8	2.4	108.9
559	R	33	Very low	28	Very low	160 Å²	160	154.5 Å²	154.5	60%	0.604	76%	0.761	S	S	*	*				70.4	148.9	60.2	-85.6	-168.6	-82	160.6	-13.5	112.5	E557	E557-R559 IonicContact OE2-CZ 3.41Å; E557-R559 IonicContact OE2-NE 2.88Å; E557-R559 PolarHBondContact OE2-NE 3.15Å; E557-R559 IonicContact OE2-NH2 2.66Å; E557-R559 PolarHBondContact OE2-NH2 3.16Å
560	D	29.9	Very low	28	Very low	121 Å²	121	148.2 Å²	148.2	65%	0.647	76%	0.755	S	S	*	*			cis	-119.4	-162.6	7.5	-73.1	-74.5	0	0	0	110.6
561	M	26.8	Very low	29.4	Very low	155 Å²	155	150.9 Å²	150.9	76%	0.764	76%	0.76	S	S	*	*			cis	-156.2	179.7	10.2	-141.6	132.2	68	0	0	107.7
562	E	28.5	Very low	29.3	Very low	143 Å²	143	148.1 Å²	148.1	67%	0.668	76%	0.757	S	S	*	*			cis	-147.1	-179.4	7.5	-167.3	162	-62	0	0	109.8
563	S	27.7	Very low	29.5	Very low	100 Å²	100	146.4 Å²	146.4	70%	0.699	76%	0.758	S	S	*	*			trans	-156	123.7	-171.6	60.3	0	0	0	0	115.5
564	F	25.6	Very low	29.5	Very low	145 Å²	145	141.9 Å²	141.9	64%	0.636	74%	0.743	S	S	*	*			trans	-142.6	136.8	161.5	-73.9	-90.9	0	0	0	108.1
565	W	30.4	Very low	29.8	Very low	236 Å²	236	147.8 Å²	147.8	89%	0.894	75%	0.745	S	S	*	*			cis	-132.2	167.6	30	-73.1	90	0	0	0	115.4
566	K	31.6	Very low	30	Very low	184 Å²	184	152.1 Å²	152.1	80%	0.8	75%	0.745	S	S	*	*			trans	-87.1	145.6	176.2	-71.7	168.3	-176.6	170.3	0	110.4
567	L	30.1	Very low	30.4	Very low	148 Å²	148	151.3 Å²	151.3	78%	0.775	74%	0.74	S	S	*	*			cis	88.3	102.1	42.2	-156.9	-173.5	0	0	0	113.7
568	N	24.4	Very low	30.5	Very low	135 Å²	135	152.2 Å²	152.2	72%	0.722	74%	0.744	S	S	*	*			trans	-167	155.4	158.4	-102.4	-14.6	0	0	0	107.6
569	R	29.1	Very low	31	Very low	229 Å²	229	148.5 Å²	148.5	86%	0.864	75%	0.748	S	S	*	*			cis	-161.9	158.4	-32.5	-116.8	178.4	-152.8	-120.9	4	107.1
570	S	29.6	Very low	31.5	Very low	115 Å²	115	151.8 Å²	151.8	80%	0.804	76%	0.761	S	S	*	*			trans	-112	-176.1	-179.7	-141.6	0	0	0	0	110.5
571	P	55.6	Low	31.8	Very low	126 Å²	126	149.9 Å²	149.9	82%	0.818	75%	0.751	S	S	*	*			cis	-139.5	-176.4	-6.5	42.2	-23.6	0	0	0	116.1
572	G	25.9	Very low	32.4	Very low	69 Å²	69	147.6 Å²	147.6	71%	0.711	76%	0.756	S	S	*	*			trans	150.9	118	164.2	0	0	0	0	0	112.8
573	S	30.3	Very low	33.2	Very low	121 Å²	121	145.1 Å²	145.1	85%	0.846	76%	0.755	S	S	*	*				74.5	126.6	74.8	-155	0	0	0	0	113
574	D	27.6	Very low	34.3	Very low	106 Å²	106	146.1 Å²	146.1	57%	0.567	74%	0.743	S	S	*	*			cis	-150.4	166.2	8.8	-155.9	-10	0	0	0	112.3
575	R	32.2	Very low	35.9	Very low	192 Å²	192	139.8 Å²	139.8	73%	0.725	72%	0.716	S	S	*	*			trans	16.3	127.7	164.9	-74	159.4	-109.4	-161.3	0.8	120.1
576	Y	30.2	Very low	37.1	Very low	208 Å²	208	133.2 Å²	133.2	82%	0.816	71%	0.706	S	S	*	*				-173.7	148.1	79.4	-108.3	-90	0	0	0	110.2
577	L	35.8	Very low	38.5	Very low	153 Å²	153	128.1 Å²	128.1	80%	0.801	71%	0.706	S	S	*	*			trans	26.6	134.8	170.5	-84.9	82.5	0	0	0	119.5
578	E	28.1	Very low	40.5	Very low	150 Å²	150	127 Å²	127	70%	0.701	69%	0.691	S	S	*	*			cis	-139.3	160.7	33.3	-60	-178.9	107.5	0	0	112.5
579	S	38.6	Very low	43.2	Very low	122 Å²	122	125 Å²	125	85%	0.853	68%	0.68	S	S	*	*			trans	-125.8	72.2	170.5	-168.4	0	0	0	0	111.7
580	R	42.9	Very low	45.9	Very low	229 Å²	229	115.1 Å²	115.1	86%	0.864	65%	0.646	S	S	*	*			trans	171.9	113.8	158.1	-105.6	169.3	163.6	-176.2	-5.8	109.8
581	D	36.5	Very low	48.7	Very low	82 Å²	82	111.9 Å²	111.9	44%	0.439	62%	0.623	S	S	.	*			trans	-166.6	96.9	132.2	-123.4	-51.8	0	0	0	112.3	S583 R584	D581-S583 VanDerWaalsContact C-N 3.32Å; D581-S583 WeakPolarHBondContact OD1-CB 3.17Å; D581-S583 PolarHBondContact OD1-OG 2.94Å; D581-R584 HydrophobicContact CB-CG 3.93Å; D581-R584 WeakPolarHBondContact OD1-CG 3.42Å; D581-R584 IonicContact OD1-NE 3.2Å; D581-R584 IonicContact OD2-CZ 2.64Å; D581-R584 IonicContact OD2-NE 2.84Å; D581-R584 PolarHBondContact OD2-NE 3.08Å; D581-R584 IonicContact OD2-NH2 3.11Å; D581-R584 PolarHBondContact OD2-NH2 3.06Å
582	A	40.5	Very low	50.2	Low	106 Å²	106	109.5 Å²	109.5	88%	0.876	61%	0.61	S	S	*	*	S	Bend	trans	-103.2	34.6	169.9	0	0	0	0	0	110.2
583	S	44.7	Very low	53.5	Low	91 Å²	91	106.6 Å²	106.6	64%	0.636	58%	0.578	S	S	*	*			trans	-140.7	8.9	-161.1	14.6	0	0	0	0	114	D581	D581-S583 VanDerWaalsContact C-N 3.32Å; D581-S583 WeakPolarHBondContact OD1-CB 3.17Å; D581-S583 PolarHBondContact OD1-OG 2.94Å
584	R	51.7	Low	56.5	Low	121 Å²	121	104.5 Å²	104.5	46%	0.457	56%	0.56	S	S	.	*			trans	-97.4	2	-166.7	-71.6	-170.2	-178.9	169.4	12.5	117.5	D581 R588	D581-R584 HydrophobicContact CB-CG 3.93Å; D581-R584 WeakPolarHBondContact OD1-CG 3.42Å; D581-R584 IonicContact OD1-NE 3.2Å; D581-R584 IonicContact OD2-CZ 2.64Å; D581-R584 IonicContact OD2-NE 2.84Å; D581-R584 PolarHBondContact OD2-NE 3.08Å; D581-R584 IonicContact OD2-NH2 3.11Å; D581-R584 PolarHBondContact OD2-NH2 3.06Å; R584-R588 WeakPolarHBondContact O-CD 3.47Å; R584-R588 WeakPolarHBondContact O-CG 3.28Å
585	L	58.6	Low	59.7	Low	13 Å²	13	101.2 Å²	101.2	7%	0.068	54%	0.543	C	S	.	.	S	Bend	trans	-83	-38.3	178.7	-70.6	-176.5	0	0	0	114.1	G587 R588 D597 Q600	L585-G587 PolarHBondContact O-N 2.59Å; L585-R588 PolarHBondContact O-N 2.94Å; L585-D597 HydrophobicContact CD2-CB 4.11Å; L585-Q600 HydrophobicContact CD1-CB 3.96Å; L585-Q600 HydrophobicContact CD1-CG 3.65Å
586	S	56.3	Low	62.6	Low	97 Å²	97	96.8 Å²	96.8	68%	0.678	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	38.7	-177.5	-55.1	0	0	0	0	115.2
587	G	59.4	Low	65.7	Low	78 Å²	78	88.1 Å²	88.1	80%	0.804	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-171	1.9	178.5	0	0	0	0	0	115.3	L585	L585-G587 PolarHBondContact O-N 2.59Å
588	R	72.7	Confident	68.4	Low	123 Å²	123	80.9 Å²	80.9	46%	0.464	46%	0.461	S	S	.	.	S	Bend	trans	-96.6	134.7	174.3	-74.3	177.5	168.7	-170.1	-5.6	110.2	R584 L585 P590 W593	R584-R588 WeakPolarHBondContact O-CD 3.47Å; R584-R588 WeakPolarHBondContact O-CG 3.28Å; L585-R588 PolarHBondContact O-N 2.94Å; R588-P590 WeakPolarHBondContact O-CD 3.4Å; R588-W593 PolarHBondContact O-NE1 3.31Å; R588-W593 VanDerWaalsContact O-NE1 3.12Å
589	D	80.6	Confident	71.6	Confident	93 Å²	93	73.8 Å²	73.8	50%	0.497	43%	0.428	S	S	.	.			trans	-53.1	121.1	172.9	171.8	16.8	0	0	0	110.5	S591 S592	D589-S591 PolarHBondContact O-N 3.02Å; D589-S591 VanDerWaalsContact O-N 3.08Å; D589-S591 PolarHBondContact OD1-N 2.9Å; D589-S591 WeakPolarHBondContact OD2-CB 3.47Å; D589-S591 PolarHBondContact OD2-OG 2.9Å; D589-S592 WeakPolarHBondContact O-CB 2.99Å; D589-S592 PolarHBondContact O-N 3.49Å; D589-S592 PolarHBondContact O-OG 2.89Å
590	P	86.7	Confident	74.1	Confident	23 Å²	23	71.9 Å²	71.9	15%	0.149	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-56.4	-21.2	176.8	-27	37.1	0	0	0	114.7	R588 S592 W593 G623 L627 L655	R588-P590 WeakPolarHBondContact O-CD 3.4Å; P590-S592 PolarHBondContact O-N 3.44Å; P590-W593 HydrophobicContact CB-CD2 4.27Å; P590-W593 HydrophobicContact CB-CZ2 4.46Å; P590-W593 HydrophobicContact CG-CZ2 4.13Å; P590-W593 PolarHBondContact O-N 3.22Å; P590-G623 CarbonylContact O-C 2.97Å; P590-G623 VanDerWaalsContact O-CA 3.25Å; P590-G623 WeakPolarHBondContact O-CA 3.42Å; P590-L627 HydrophobicContact CB-CD1 4.19Å; P590-L627 HydrophobicContact CB-CD2 4.27Å; P590-L627 HydrophobicContact CB-CG 4.39Å; P590-L655 HydrophobicContact CB-CD1 4.45Å; P590-L655 HydrophobicContact CB-CD2 3.97Å; P590-L655 HydrophobicContact CB-CG 4.1Å; P590-L655 HydrophobicContact CG-CD1 3.62Å; P590-L655 HydrophobicContact CG-CD2 4.04Å; P590-L655 HydrophobicContact CG-CG 3.65Å
591	S	87.6	Confident	76.5	Confident	46 Å²	46	61 Å²	61	32%	0.322	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-66.9	-15	172.6	97.4	0	0	0	0	113.9	D589 K624	D589-S591 PolarHBondContact O-N 3.02Å; D589-S591 VanDerWaalsContact O-N 3.08Å; D589-S591 PolarHBondContact OD1-N 2.9Å; D589-S591 WeakPolarHBondContact OD2-CB 3.47Å; D589-S591 PolarHBondContact OD2-OG 2.9Å; S591-K624 WeakPolarHBondContact O-CE 3.43Å; S591-K624 WeakPolarHBondContact O-CG 3.47Å
592	S	88.2	Confident	79.2	Confident	77 Å²	77	57 Å²	57	54%	0.538	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-99.1	-5.5	179.7	70.8	0	0	0	0	114.7	D589 P590	D589-S592 WeakPolarHBondContact O-CB 2.99Å; D589-S592 PolarHBondContact O-N 3.49Å; D589-S592 PolarHBondContact O-OG 2.89Å; P590-S592 PolarHBondContact O-N 3.44Å
593	W	94.1	Very high	81.6	Confident	7 Å²	7	56.6 Å²	56.6	3%	0.027	32%	0.323	C	S	.	.			trans	-72.7	134.1	-173.3	-69.1	9.1	0	0	0	112.5	R588 P590 D597 V598 F601 G623 L626 L655	R588-W593 PolarHBondContact O-NE1 3.31Å; R588-W593 VanDerWaalsContact O-NE1 3.12Å; P590-W593 HydrophobicContact CB-CD2 4.27Å; P590-W593 HydrophobicContact CB-CZ2 4.46Å; P590-W593 HydrophobicContact CG-CZ2 4.13Å; P590-W593 PolarHBondContact O-N 3.22Å; W593-D597 HydrophobicContact CB-CB 3.84Å; W593-D597 HydrophobicContact CD2-CB 4.48Å; W593-D597 HydrophobicContact CG-CB 4.08Å; W593-V598 HydrophobicContact CB-CG2 4.3Å; W593-V598 HydrophobicContact CE3-CG2 4.3Å; W593-F601 HydrophobicContact CE3-CB 4.33Å; W593-F601 HydrophobicContact CH2-CB 4.08Å; W593-F601 AromaticContact CH2-CD2 3.61Å; W593-F601 HydrophobicContact CH2-CD2 3.61Å; W593-F601 HydrophobicContact CH2-CE2 4.29Å; W593-F601 HydrophobicContact CH2-CG 4.01Å; W593-F601 HydrophobicContact CZ3-CB 3.53Å; W593-F601 HydrophobicContact CZ3-CD1 4.19Å; W593-F601 AromaticContact CZ3-CD2 3.59Å; W593-F601 HydrophobicContact CZ3-CD2 3.59Å; W593-F601 HydrophobicContact CZ3-CE2 4.32Å; W593-F601 AromaticContact CZ3-CG 3.52Å; W593-F601 HydrophobicContact CZ3-CG 3.52Å; W593-G623 PolarHBondContact O-N 2.95Å; W593-L626 HydrophobicContact CE3-CD2 4.48Å; W593-L626 HydrophobicContact CZ3-CD2 4.4Å; W593-L655 HydrophobicContact CE3-CD2 4.37Å; W593-L655 HydrophobicContact CH2-CD1 3.51Å; W593-L655 HydrophobicContact CH2-CD2 3.72Å; W593-L655 HydrophobicContact CH2-CG 4.25Å; W593-L655 HydrophobicContact CZ2-CD1 4.01Å; W593-L655 HydrophobicContact CZ3-CD1 4.25Å; W593-L655 HydrophobicContact CZ3-CD2 3.56Å
594	T	94.8	Very high	83.7	Confident	77 Å²	77	57.2 Å²	57.2	47%	0.472	32%	0.316	S	S	.	.			trans	-75.1	170.1	169.9	71.8	0	0	0	0	111.1	E596 D597 V598	T594-E596 PolarHBondContact O-N 3.02Å; T594-E596 PolarHBondContact OG1-N 2.79Å; T594-D597 VanDerWaalsContact CB-OD2 3.27Å; T594-D597 WeakPolarHBondContact CB-OD2 3.45Å; T594-D597 WeakPolarHBondContact CG2-OD2 3.33Å; T594-D597 PolarHBondContact N-OD2 3.28Å; T594-D597 PolarHBondContact O-N 3.36Å; T594-D597 PolarHBondContact OG1-N 3.43Å; T594-D597 PolarHBondContact OG1-OD2 3.1Å; T594-V598 WeakPolarHBondContact O-CG2 3.47Å; T594-V598 PolarHBondContact O-N 3.14Å
595	V	94.1	Very high	85.4	Confident	37 Å²	37	52.5 Å²	52.5	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-57.7	-31.8	174.2	-173.1	0	0	0	0	111.9	M599 F616 R617 D622	V595-M599 WeakPolarHBondContact O-CG 3.34Å; V595-M599 PolarHBondContact O-N 3.47Å; V595-F616 WeakPolarHBondContact CG1-O 3.26Å; V595-R617 HydrophobicContact CG1-CB 4.49Å; V595-R617 HydrophobicContact CG1-CG 4.2Å; V595-D622 HydrophobicContact CG2-CB 4.31Å
596	E	93.4	Very high	86.7	Confident	99 Å²	99	53 Å²	53	46%	0.463	31%	0.305	S	S	.	.	H	α-helix	trans	-77.1	-38	178.6	-157.2	66.2	-152.7	0	0	111.8	T594 V598 M599 Q600 R617	T594-E596 PolarHBondContact O-N 3.02Å; T594-E596 PolarHBondContact OG1-N 2.79Å; E596-V598 VanDerWaalsContact C-N 3.32Å; E596-V598 PolarHBondContact O-N 3.32Å; E596-M599 WeakPolarHBondContact O-CB 3.38Å; E596-M599 PolarHBondContact O-N 3.21Å; E596-Q600 PolarHBondContact O-N 3.4Å; E596-R617 VanDerWaalsContact CD-NH2 3.29Å; E596-R617 IonicContact OE1-CZ 3.6Å; E596-R617 IonicContact OE1-NH2 2.86Å; E596-R617 PolarHBondContact OE1-NH2 3.17Å; E596-R617 IonicContact OE2-CZ 2.67Å; E596-R617 IonicContact OE2-NE 3.22Å; E596-R617 PolarHBondContact OE2-NE 2.86Å; E596-R617 IonicContact OE2-NH2 3.75Å; E596-R617 PolarHBondContact OE2-NH2 3.11Å
597	D	93.7	Very high	88.2	Confident	27 Å²	27	53.7 Å²	53.7	14%	0.144	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-41.1	170.9	-59.2	-81.1	0	0	0	110.8	L585 W593 T594 M599 Q600 F601	L585-D597 HydrophobicContact CD2-CB 4.11Å; W593-D597 HydrophobicContact CB-CB 3.84Å; W593-D597 HydrophobicContact CD2-CB 4.48Å; W593-D597 HydrophobicContact CG-CB 4.08Å; T594-D597 VanDerWaalsContact CB-OD2 3.27Å; T594-D597 WeakPolarHBondContact CB-OD2 3.45Å; T594-D597 WeakPolarHBondContact CG2-OD2 3.33Å; T594-D597 PolarHBondContact N-OD2 3.28Å; T594-D597 PolarHBondContact O-N 3.36Å; T594-D597 PolarHBondContact OG1-N 3.43Å; T594-D597 PolarHBondContact OG1-OD2 3.1Å; D597-M599 VanDerWaalsContact C-N 3.35Å; D597-M599 PolarHBondContact O-N 3.49Å; D597-Q600 PolarHBondContact O-N 2.57Å; D597-F601 WeakPolarHBondContact O-CB 3.38Å; D597-F601 PolarHBondContact O-N 3.41Å
598	V	94	Very high	89.4	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-42.4	173.7	167.4	0	0	0	0	111.4	W593 T594 E596 F601 V602 F616 L626	W593-V598 HydrophobicContact CB-CG2 4.3Å; W593-V598 HydrophobicContact CE3-CG2 4.3Å; T594-V598 WeakPolarHBondContact O-CG2 3.47Å; T594-V598 PolarHBondContact O-N 3.14Å; E596-V598 VanDerWaalsContact C-N 3.32Å; E596-V598 PolarHBondContact O-N 3.32Å; V598-F601 WeakPolarHBondContact O-CB 3.33Å; V598-F601 PolarHBondContact O-N 3.17Å; V598-V602 WeakPolarHBondContact O-CG2 3.42Å; V598-V602 PolarHBondContact O-N 3.07Å; V598-F616 HydrophobicContact CG1-CB 4.16Å; V598-F616 HydrophobicContact CG1-CD1 3.77Å; V598-F616 HydrophobicContact CG1-CG 4.21Å; V598-L626 HydrophobicContact CG1-CB 4.46Å; V598-L626 HydrophobicContact CG1-CD1 4.02Å; V598-L626 HydrophobicContact CG1-CD2 4.1Å; V598-L626 HydrophobicContact CG1-CG 4.42Å; V598-L626 HydrophobicContact CG2-CB 4.26Å; V598-L626 HydrophobicContact CG2-CD2 4.06Å
599	M	94.3	Very high	90.2	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-66.3	-38	176.4	-79.9	-170.5	58.7	0	0	113.5	V595 E596 D597 V602 Q603 A613 D614 F616 R617	V595-M599 WeakPolarHBondContact O-CG 3.34Å; V595-M599 PolarHBondContact O-N 3.47Å; E596-M599 WeakPolarHBondContact O-CB 3.38Å; E596-M599 PolarHBondContact O-N 3.21Å; D597-M599 VanDerWaalsContact C-N 3.35Å; D597-M599 PolarHBondContact O-N 3.49Å; M599-V602 PolarHBondContact O-N 3.26Å; M599-Q603 WeakPolarHBondContact O-CG 3.4Å; M599-Q603 PolarHBondContact O-N 2.89Å; M599-Q603 VanDerWaalsContact O-N 3.15Å; M599-Q603 PolarHBondContact O-NE2 3.18Å; M599-Q603 VanDerWaalsContact O-NE2 3.12Å; M599-A613 HydrophobicContact CB-CB 4.48Å; M599-A613 HydrophobicContact CE-CB 3.93Å; M599-A613 HydrophobicContact CG-CB 4.45Å; M599-A613 WeakPolarHBondContact CG-O 3.41Å; M599-D614 WeakPolarHBondContact CE-OD1 3.24Å; M599-F616 HydrophobicContact CG-CB 4Å; M599-R617 VanDerWaalsContact CE-CZ 3.42Å; M599-R617 HydrophobicContact SD-CB 3.53Å; M599-R617 VanDerWaalsContact SD-CB 3.53Å; M599-R617 HydrophobicContact SD-CG 3.91Å; M599-R617 PolarHBondContact SD-NE 3.17Å
600	Q	92.6	Very high	90.4	Very high	81 Å²	81	47.2 Å²	47.2	38%	0.379	26%	0.264	S	S	.	.	H	α-helix	trans	-64.3	-46.2	174.1	-176.2	173.3	-10	0	0	110.2	L585 E596 D597 V602 Q603 E604	L585-Q600 HydrophobicContact CD1-CB 3.96Å; L585-Q600 HydrophobicContact CD1-CG 3.65Å; E596-Q600 PolarHBondContact O-N 3.4Å; D597-Q600 PolarHBondContact O-N 2.57Å; Q600-V602 PolarHBondContact O-N 2.85Å; Q600-Q603 PolarHBondContact O-N 3.5Å; Q600-Q603 VanDerWaalsContact O-N 3.12Å; Q600-E604 HydrophobicContact CG-CG 4.26Å; Q600-E604 VanDerWaalsContact CG-OE1 3.3Å; Q600-E604 WeakPolarHBondContact CG-OE1 3.38Å; Q600-E604 PolarHBondContact NE2-OE1 2.89Å; Q600-E604 WeakPolarHBondContact O-CB 3.36Å; Q600-E604 WeakPolarHBondContact O-CG 3.36Å; Q600-E604 PolarHBondContact O-N 3.47Å
601	F	92.3	Very high	90.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-54.2	-45.7	171.9	163.5	-93.7	0	0	0	112.8	W593 D597 V598 Q603 E604 A605 L626 L648 H651 I652 L655 F660	W593-F601 HydrophobicContact CE3-CB 4.33Å; W593-F601 HydrophobicContact CH2-CB 4.08Å; W593-F601 AromaticContact CH2-CD2 3.61Å; W593-F601 HydrophobicContact CH2-CD2 3.61Å; W593-F601 HydrophobicContact CH2-CE2 4.29Å; W593-F601 HydrophobicContact CH2-CG 4.01Å; W593-F601 HydrophobicContact CZ3-CB 3.53Å; W593-F601 HydrophobicContact CZ3-CD1 4.19Å; W593-F601 AromaticContact CZ3-CD2 3.59Å; W593-F601 HydrophobicContact CZ3-CD2 3.59Å; W593-F601 HydrophobicContact CZ3-CE2 4.32Å; W593-F601 AromaticContact CZ3-CG 3.52Å; W593-F601 HydrophobicContact CZ3-CG 3.52Å; D597-F601 WeakPolarHBondContact O-CB 3.38Å; D597-F601 PolarHBondContact O-N 3.41Å; V598-F601 WeakPolarHBondContact O-CB 3.33Å; V598-F601 PolarHBondContact O-N 3.17Å; F601-Q603 VanDerWaalsContact C-N 3.29Å; F601-Q603 PolarHBondContact O-N 2.89Å; F601-E604 PolarHBondContact O-N 2.86Å; F601-A605 WeakPolarHBondContact O-CB 3.39Å; F601-A605 PolarHBondContact O-N 3.07Å; F601-L626 HydrophobicContact CD1-CD2 3.95Å; F601-L626 HydrophobicContact CE1-CD2 3.92Å; F601-L648 HydrophobicContact CE1-CD1 4.22Å; F601-H651 HydrophobicContact CZ-CB 3.94Å; F601-I652 HydrophobicContact CE1-CG1 4.44Å; F601-L655 HydrophobicContact CD2-CD2 4.36Å; F601-L655 HydrophobicContact CE1-CD2 4.4Å; F601-L655 HydrophobicContact CE2-CB 4.28Å; F601-L655 HydrophobicContact CE2-CD1 4.14Å; F601-L655 HydrophobicContact CE2-CD2 3.85Å; F601-L655 HydrophobicContact CE2-CG 4.32Å; F601-L655 HydrophobicContact CZ-CB 4.29Å; F601-L655 HydrophobicContact CZ-CD2 3.87Å; F601-F660 HydrophobicContact CD2-CD2 4.18Å; F601-F660 HydrophobicContact CD2-CE1 4.28Å; F601-F660 AromaticContact CD2-CE2 3.5Å; F601-F660 HydrophobicContact CD2-CE2 3.5Å; F601-F660 AromaticContact CD2-CZ 3.57Å; F601-F660 HydrophobicContact CD2-CZ 3.57Å; F601-F660 AromaticContact CE2-CD2 3.73Å; F601-F660 HydrophobicContact CE2-CD2 3.73Å; F601-F660 AromaticContact CE2-CE2 3.39Å; F601-F660 HydrophobicContact CE2-CE2 3.39Å; F601-F660 AromaticContact CE2-CZ 3.98Å; F601-F660 HydrophobicContact CE2-CZ 3.98Å
602	V	92.2	Very high	90.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-33.5	178.9	171.8	0	0	0	0	112.2	V598 M599 Q600 L609 A613 F616 L648	V598-V602 WeakPolarHBondContact O-CG2 3.42Å; V598-V602 PolarHBondContact O-N 3.07Å; M599-V602 PolarHBondContact O-N 3.26Å; Q600-V602 PolarHBondContact O-N 2.85Å; V602-L609 HydrophobicContact CG1-CB 4.01Å; V602-A613 HydrophobicContact CB-CB 4.35Å; V602-A613 HydrophobicContact CG1-CB 4.06Å; V602-F616 HydrophobicContact CG2-CD1 4.5Å; V602-F616 HydrophobicContact CG2-CD2 4.24Å; V602-F616 HydrophobicContact CG2-CE2 4.38Å; V602-F616 HydrophobicContact CG2-CG 4.38Å; V602-L648 HydrophobicContact CG2-CD1 4.02Å; V602-L648 HydrophobicContact CG2-CD2 4.33Å
603	Q	91.1	Very high	90.9	Very high	96 Å²	96	48 Å²	48	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-77.2	-38.8	177.4	-70.7	170	66.6	0	0	112.9	M599 Q600 F601 A613	M599-Q603 WeakPolarHBondContact O-CG 3.4Å; M599-Q603 PolarHBondContact O-N 2.89Å; M599-Q603 VanDerWaalsContact O-N 3.15Å; M599-Q603 PolarHBondContact O-NE2 3.18Å; M599-Q603 VanDerWaalsContact O-NE2 3.12Å; Q600-Q603 PolarHBondContact O-N 3.5Å; Q600-Q603 VanDerWaalsContact O-N 3.12Å; F601-Q603 VanDerWaalsContact C-N 3.29Å; F601-Q603 PolarHBondContact O-N 2.89Å; Q603-A613 HydrophobicContact CG-CB 3.75Å
604	E	89.4	Confident	90.8	Very high	105 Å²	105	52.3 Å²	52.3	49%	0.491	29%	0.285	S	S	.	.	H	α-helix	trans	-78.1	-32	-178.8	-70.6	177.8	177.3	0	0	112.9	Q600 F601	Q600-E604 HydrophobicContact CG-CG 4.26Å; Q600-E604 VanDerWaalsContact CG-OE1 3.3Å; Q600-E604 WeakPolarHBondContact CG-OE1 3.38Å; Q600-E604 PolarHBondContact NE2-OE1 2.89Å; Q600-E604 WeakPolarHBondContact O-CB 3.36Å; Q600-E604 WeakPolarHBondContact O-CG 3.36Å; Q600-E604 PolarHBondContact O-N 3.47Å; F601-E604 PolarHBondContact O-N 2.86Å
605	A	88.1	Confident	90.7	Very high	21 Å²	21	50.5 Å²	50.5	17%	0.174	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-39.9	-176.6	0	0	0	0	0	113.7	F601 H651	F601-A605 WeakPolarHBondContact O-CB 3.39Å; F601-A605 PolarHBondContact O-N 3.07Å; A605-H651 HydrophobicContact CB-CB 4.16Å; A605-H651 PolarHBondContact O-CE1 3.49Å
606	D	86.4	Confident	90.7	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.123	26%	0.261	C	S	.	.			trans	-154.9	119.6	172.3	178.7	-5	0	0	0	109.7	Q608 L609 K647	D606-Q608 PolarHBondContact O-N 2.86Å; D606-Q608 WeakPolarHBondContact OD1-CB 3.06Å; D606-Q608 PolarHBondContact OD1-N 3.39Å; D606-L609 HydrophobicContact CB-CB 4.4Å; D606-L609 HydrophobicContact CB-CD1 4.02Å; D606-L609 HydrophobicContact CB-CG 3.98Å; D606-L609 WeakPolarHBondContact O-CB 3.22Å; D606-L609 PolarHBondContact O-N 3.01Å; D606-K647 IonicContact OD1-NZ 3.3Å; D606-K647 WeakPolarHBondContact OD2-CD 3.4Å; D606-K647 WeakPolarHBondContact OD2-CE 3.22Å; D606-K647 IonicContact OD2-NZ 3.9Å; D606-K647 PolarHBondContact OD2-NZ 2.82Å
607	P	86.6	Confident	90.7	Very high	112 Å²	112	49 Å²	49	73%	0.727	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.7	176.2	-28.3	36.2	0	0	0	115.1	L609	P607-L609 VanDerWaalsContact C-N 3.33Å
608	Q	85.3	Confident	90.6	Very high	138 Å²	138	55.3 Å²	55.3	65%	0.645	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.2	173.8	-60	-172.1	-10	0	0	113.8	D606	D606-Q608 PolarHBondContact O-N 2.86Å; D606-Q608 WeakPolarHBondContact OD1-CB 3.06Å; D606-Q608 PolarHBondContact OD1-N 3.39Å
609	L	88.2	Confident	90.6	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-15.7	172.3	-64	179.3	0	0	0	112.9	V602 D606 P607 H612 A613 P644 K647 L648	V602-L609 HydrophobicContact CG1-CB 4.01Å; D606-L609 HydrophobicContact CB-CB 4.4Å; D606-L609 HydrophobicContact CB-CD1 4.02Å; D606-L609 HydrophobicContact CB-CG 3.98Å; D606-L609 WeakPolarHBondContact O-CB 3.22Å; D606-L609 PolarHBondContact O-N 3.01Å; P607-L609 VanDerWaalsContact C-N 3.33Å; L609-H612 WeakPolarHBondContact O-CA 3.48Å; L609-H612 WeakPolarHBondContact O-CB 3.4Å; L609-H612 PolarHBondContact O-N 2.92Å; L609-A613 PolarHBondContact O-N 3.23Å; L609-P644 HydrophobicContact CD2-CB 3.97Å; L609-K647 HydrophobicContact CD1-CB 4.25Å; L609-K647 HydrophobicContact CD2-CB 4.14Å; L609-K647 HydrophobicContact CG-CB 4.5Å; L609-L648 HydrophobicContact CD1-CB 3.94Å; L609-L648 HydrophobicContact CD1-CD1 4.16Å
610	G	86.4	Confident	90.6	Very high	19 Å²	19	66.3 Å²	66.3	20%	0.196	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-47.8	-47.1	177.1	0	0	0	0	0	114.9	H612 A613	G610-H612 PolarHBondContact O-N 2.99Å; G610-A613 WeakPolarHBondContact O-CB 3.27Å; G610-A613 PolarHBondContact O-N 3.16Å
611	P	90.4	Very high	90.7	Very high	107 Å²	107	63.4 Å²	63.4	70%	0.695	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-64.2	-1.5	175.1	-23.2	35.2	0	0	0	115.9
612	H	90.7	Very high	90.8	Very high	54 Å²	54	66 Å²	66	25%	0.25	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-111.8	-4.1	175.4	-60.1	-41.7	0	0	0	113	L609 G610 D614 L615 F616	L609-H612 WeakPolarHBondContact O-CA 3.48Å; L609-H612 WeakPolarHBondContact O-CB 3.4Å; L609-H612 PolarHBondContact O-N 2.92Å; G610-H612 PolarHBondContact O-N 2.99Å; H612-D614 PolarHBondContact O-N 3.38Å; H612-L615 HydrophobicContact CB-CD1 4.19Å; H612-L615 VanDerWaalsContact O-CB 3.29Å; H612-L615 WeakPolarHBondContact O-CB 3.46Å; H612-L615 PolarHBondContact O-N 2.87Å; H612-L615 VanDerWaalsContact O-N 3.15Å; H612-F616 WeakPolarHBondContact O-CD2 3.31Å
613	A	91.7	Very high	90.8	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.008	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-40.4	-177.7	0	0	0	0	0	112.7	M599 V602 Q603 L609 G610 L615 F616	M599-A613 HydrophobicContact CB-CB 4.48Å; M599-A613 HydrophobicContact CE-CB 3.93Å; M599-A613 HydrophobicContact CG-CB 4.45Å; M599-A613 WeakPolarHBondContact CG-O 3.41Å; V602-A613 HydrophobicContact CB-CB 4.35Å; V602-A613 HydrophobicContact CG1-CB 4.06Å; Q603-A613 HydrophobicContact CG-CB 3.75Å; L609-A613 PolarHBondContact O-N 3.23Å; G610-A613 WeakPolarHBondContact O-CB 3.27Å; G610-A613 PolarHBondContact O-N 3.16Å; A613-L615 PolarHBondContact O-N 3.26Å; A613-F616 WeakPolarHBondContact O-CB 3.18Å; A613-F616 PolarHBondContact O-N 2.98Å
614	D	90.4	Very high	90.8	Very high	98 Å²	98	67.3 Å²	67.3	52%	0.524	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-16.6	178.2	-67.9	-64.5	0	0	0	114.1	M599 H612 F616 R617 K618	M599-D614 WeakPolarHBondContact CE-OD1 3.24Å; H612-D614 PolarHBondContact O-N 3.38Å; D614-F616 PolarHBondContact O-N 2.69Å; D614-R617 PolarHBondContact O-N 2.9Å; D614-R617 IonicContact OD1-CZ 2.73Å; D614-R617 IonicContact OD1-NH1 3.21Å; D614-R617 PolarHBondContact OD1-NH1 2.84Å; D614-K618 WeakPolarHBondContact O-CB 3.22Å; D614-K618 PolarHBondContact O-N 3.3Å
615	L	92.9	Very high	91	Very high	39 Å²	39	63.9 Å²	63.9	20%	0.204	33%	0.33	C	S	.	.	H	α-helix	trans	-65.8	-29.5	170.3	-60.1	173.3	0	0	0	111.3	H612 A613 K618 H619 M638 L640	H612-L615 HydrophobicContact CB-CD1 4.19Å; H612-L615 VanDerWaalsContact O-CB 3.29Å; H612-L615 WeakPolarHBondContact O-CB 3.46Å; H612-L615 PolarHBondContact O-N 2.87Å; H612-L615 VanDerWaalsContact O-N 3.15Å; A613-L615 PolarHBondContact O-N 3.26Å; L615-K618 PolarHBondContact O-N 3.47Å; L615-H619 WeakPolarHBondContact O-CB 3.39Å; L615-H619 PolarHBondContact O-CD2 3.31Å; L615-H619 PolarHBondContact O-N 3.44Å; L615-M638 HydrophobicContact CB-CE 3.95Å; L615-L640 HydrophobicContact CD1-CD1 3.65Å; L615-L640 HydrophobicContact CD1-CG 4.34Å
616	F	94.1	Very high	91.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-73.1	-36.8	178.5	-67.5	-98.4	0	0	0	110.8	V595 V598 M599 V602 H612 A613 D614 E620 I621 L626 L629 M634 M638 L648	V595-F616 WeakPolarHBondContact CG1-O 3.26Å; V598-F616 HydrophobicContact CG1-CB 4.16Å; V598-F616 HydrophobicContact CG1-CD1 3.77Å; V598-F616 HydrophobicContact CG1-CG 4.21Å; M599-F616 HydrophobicContact CG-CB 4Å; V602-F616 HydrophobicContact CG2-CD1 4.5Å; V602-F616 HydrophobicContact CG2-CD2 4.24Å; V602-F616 HydrophobicContact CG2-CE2 4.38Å; V602-F616 HydrophobicContact CG2-CG 4.38Å; H612-F616 WeakPolarHBondContact O-CD2 3.31Å; A613-F616 WeakPolarHBondContact O-CB 3.18Å; A613-F616 PolarHBondContact O-N 2.98Å; D614-F616 PolarHBondContact O-N 2.69Å; F616-E620 PolarHBondContact O-N 3.44Å; F616-E620 VanDerWaalsContact O-N 3.15Å; F616-I621 HydrophobicContact CB-CB 4.32Å; F616-I621 HydrophobicContact CD1-CB 3.78Å; F616-I621 HydrophobicContact CD1-CG1 4.09Å; F616-I621 HydrophobicContact CD1-CG2 3.74Å; F616-I621 HydrophobicContact CE1-CG2 4.17Å; F616-I621 PolarHBondContact O-N 2.87Å; F616-L626 HydrophobicContact CD1-CD1 4.29Å; F616-L626 HydrophobicContact CE1-CD1 3.97Å; F616-L629 HydrophobicContact CE1-CD2 3.56Å; F616-L629 HydrophobicContact CZ-CD2 4.11Å; F616-M634 HydrophobicContact CZ-SD 4.48Å; F616-M638 HydrophobicContact CD1-CE 4.09Å; F616-M638 HydrophobicContact CD2-CE 4Å; F616-M638 HydrophobicContact CE1-CE 3.8Å; F616-M638 HydrophobicContact CE1-SD 4.49Å; F616-M638 HydrophobicContact CE2-CE 3.68Å; F616-M638 HydrophobicContact CG-CE 4.14Å; F616-M638 HydrophobicContact CZ-CE 3.51Å; F616-M638 HydrophobicContact CZ-SD 4.26Å; F616-L648 HydrophobicContact CE1-CD2 4Å; F616-L648 HydrophobicContact CE2-CD2 3.75Å; F616-L648 HydrophobicContact CZ-CD2 3.22Å
617	R	93.8	Very high	91.5	Very high	105 Å²	105	64 Å²	64	40%	0.396	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-49.7	165.8	-132	-179	-83.8	111.6	-6.9	112.1	V595 E596 M599 D614 H619 E620	V595-R617 HydrophobicContact CG1-CB 4.49Å; V595-R617 HydrophobicContact CG1-CG 4.2Å; E596-R617 VanDerWaalsContact CD-NH2 3.29Å; E596-R617 IonicContact OE1-CZ 3.6Å; E596-R617 IonicContact OE1-NH2 2.86Å; E596-R617 PolarHBondContact OE1-NH2 3.17Å; E596-R617 IonicContact OE2-CZ 2.67Å; E596-R617 IonicContact OE2-NE 3.22Å; E596-R617 PolarHBondContact OE2-NE 2.86Å; E596-R617 IonicContact OE2-NH2 3.75Å; E596-R617 PolarHBondContact OE2-NH2 3.11Å; M599-R617 VanDerWaalsContact CE-CZ 3.42Å; M599-R617 HydrophobicContact SD-CB 3.53Å; M599-R617 VanDerWaalsContact SD-CB 3.53Å; M599-R617 HydrophobicContact SD-CG 3.91Å; M599-R617 PolarHBondContact SD-NE 3.17Å; D614-R617 PolarHBondContact O-N 2.9Å; D614-R617 IonicContact OD1-CZ 2.73Å; D614-R617 IonicContact OD1-NH1 3.21Å; D614-R617 PolarHBondContact OD1-NH1 2.84Å; R617-H619 PolarHBondContact O-N 3.5Å; R617-E620 PolarHBondContact O-N 3.44Å; R617-E620 VanDerWaalsContact O-N 3.15Å
618	K	92.5	Very high	91.7	Very high	160 Å²	160	65.2 Å²	65.2	70%	0.696	33%	0.327	S	S	*	.	H	α-helix	trans	-61.7	-30.3	-176.3	-176.6	-179.8	175.6	-172.5	0	113.7	D614 L615	D614-K618 WeakPolarHBondContact O-CB 3.22Å; D614-K618 PolarHBondContact O-N 3.3Å; L615-K618 PolarHBondContact O-N 3.47Å
619	H	93.7	Very high	92	Very high	68 Å²	68	59.2 Å²	59.2	32%	0.315	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	12.9	179.7	-69.1	-82.8	0	0	0	113.1	L615 R617 I621 Y637 M638	L615-H619 WeakPolarHBondContact O-CB 3.39Å; L615-H619 PolarHBondContact O-CD2 3.31Å; L615-H619 PolarHBondContact O-N 3.44Å; R617-H619 PolarHBondContact O-N 3.5Å; H619-I621 HydrophobicContact CB-CD1 4.05Å; H619-I621 HydrophobicContact CB-CG1 3.9Å; H619-I621 WeakPolarHBondContact O-CD1 3.32Å; H619-I621 PolarHBondContact O-N 3.11Å; H619-Y637 PolarHBondContact CE1-O 3.13Å; H619-M638 HydrophobicContact CB-CE 4.25Å; H619-M638 HydrophobicContact CB-CG 4.46Å
620	E	93.6	Very high	92.1	Very high	164 Å²	164	66.1 Å²	66.1	77%	0.766	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.3	176	-57.5	-174.3	133.5	0	0	113.8	F616 R617 D622	F616-E620 PolarHBondContact O-N 3.44Å; F616-E620 VanDerWaalsContact O-N 3.15Å; R617-E620 PolarHBondContact O-N 3.44Å; R617-E620 VanDerWaalsContact O-N 3.15Å; E620-D622 PolarHBondContact O-N 3.01Å; E620-D622 VanDerWaalsContact O-N 3.12Å
621	I	95.7	Very high	92.1	Very high	20 Å²	20	66.6 Å²	66.6	10%	0.103	33%	0.326	C	S	.	.			trans	-80.5	95.9	-175.5	-53.3	-61.5	0	0	0	109.9	F616 H619 A625 L626 L629 M638	F616-I621 HydrophobicContact CB-CB 4.32Å; F616-I621 HydrophobicContact CD1-CB 3.78Å; F616-I621 HydrophobicContact CD1-CG1 4.09Å; F616-I621 HydrophobicContact CD1-CG2 3.74Å; F616-I621 HydrophobicContact CE1-CG2 4.17Å; F616-I621 PolarHBondContact O-N 2.87Å; H619-I621 HydrophobicContact CB-CD1 4.05Å; H619-I621 HydrophobicContact CB-CG1 3.9Å; H619-I621 WeakPolarHBondContact O-CD1 3.32Å; H619-I621 PolarHBondContact O-N 3.11Å; I621-A625 HydrophobicContact CD1-CB 4.38Å; I621-A625 HydrophobicContact CG2-CB 3.92Å; I621-L626 HydrophobicContact CG2-CB 4.13Å; I621-L626 HydrophobicContact CG2-CD1 4.5Å; I621-L629 HydrophobicContact CG2-CD2 4.43Å; I621-M638 HydrophobicContact CG1-CE 4.08Å
622	D	93.7	Very high	91.6	Very high	56 Å²	56	64.7 Å²	64.7	30%	0.299	31%	0.31	S	S	.	.			trans	-74.5	177.1	168.6	84.9	-13.6	0	0	0	112	V595 E620 K624 A625 L626	V595-D622 HydrophobicContact CG2-CB 4.31Å; E620-D622 PolarHBondContact O-N 3.01Å; E620-D622 VanDerWaalsContact O-N 3.12Å; D622-K624 VanDerWaalsContact C-N 3.26Å; D622-K624 PolarHBondContact O-N 3.15Å; D622-K624 WeakPolarHBondContact OD1-CA 3.42Å; D622-K624 WeakPolarHBondContact OD1-CB 3.5Å; D622-K624 PolarHBondContact OD1-N 3.31Å; D622-A625 PolarHBondContact O-N 2.63Å; D622-A625 WeakPolarHBondContact OD1-CB 3.26Å; D622-A625 PolarHBondContact OD1-N 3.3Å; D622-L626 WeakPolarHBondContact O-CB 3.17Å; D622-L626 PolarHBondContact O-N 3.25Å
623	G	93.2	Very high	91.5	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-60.2	-31.5	-180	0	0	0	0	0	114.5	P590 W593 L627	P590-G623 CarbonylContact O-C 2.97Å; P590-G623 VanDerWaalsContact O-CA 3.25Å; P590-G623 WeakPolarHBondContact O-CA 3.42Å; W593-G623 PolarHBondContact O-N 2.95Å; G623-L627 VanDerWaalsContact O-CG 3.32Å; G623-L627 WeakPolarHBondContact O-CG 3.48Å; G623-L627 PolarHBondContact O-N 3.17Å; G623-L627 VanDerWaalsContact O-N 3.11Å
624	K	90.8	Very high	91.6	Very high	121 Å²	121	65.8 Å²	65.8	53%	0.526	32%	0.316	S	S	.	.	H	α-helix	trans	-73.8	-43.4	178.2	-61.2	170.7	-172.9	168.7	0	110.6	S591 D622 L626 L627 L628	S591-K624 WeakPolarHBondContact O-CE 3.43Å; S591-K624 WeakPolarHBondContact O-CG 3.47Å; D622-K624 VanDerWaalsContact C-N 3.26Å; D622-K624 PolarHBondContact O-N 3.15Å; D622-K624 WeakPolarHBondContact OD1-CA 3.42Å; D622-K624 WeakPolarHBondContact OD1-CB 3.5Å; D622-K624 PolarHBondContact OD1-N 3.31Å; K624-L626 VanDerWaalsContact C-N 3.35Å; K624-L627 PolarHBondContact O-N 2.8Å; K624-L628 WeakPolarHBondContact O-CG 3.18Å; K624-L628 PolarHBondContact O-N 3.35Å
625	A	92.8	Very high	91.6	Very high	33 Å²	33	64.8 Å²	64.8	27%	0.273	31%	0.309	S	S	.	.	H	α-helix	trans	-62	-41.8	172.5	0	0	0	0	0	111.3	I621 D622 L627 L628 L629	I621-A625 HydrophobicContact CD1-CB 4.38Å; I621-A625 HydrophobicContact CG2-CB 3.92Å; D622-A625 PolarHBondContact O-N 2.63Å; D622-A625 WeakPolarHBondContact OD1-CB 3.26Å; D622-A625 PolarHBondContact OD1-N 3.3Å; A625-L627 PolarHBondContact O-N 2.98Å; A625-L628 CarbonylContact O-C 3.6Å; A625-L628 PolarHBondContact O-N 3.42Å; A625-L628 VanDerWaalsContact O-N 3.13Å; A625-L629 WeakPolarHBondContact O-CB 3.4Å; A625-L629 PolarHBondContact O-N 2.84Å
626	L	93.8	Very high	91.2	Very high	1 Å²	1	70 Å²	70	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-58.7	-44.4	175.9	-175.1	73.3	0	0	0	112.1	W593 V598 F601 F616 I621 D622 K624 L628 L629 I652 L655	W593-L626 HydrophobicContact CE3-CD2 4.48Å; W593-L626 HydrophobicContact CZ3-CD2 4.4Å; V598-L626 HydrophobicContact CG1-CB 4.46Å; V598-L626 HydrophobicContact CG1-CD1 4.02Å; V598-L626 HydrophobicContact CG1-CD2 4.1Å; V598-L626 HydrophobicContact CG1-CG 4.42Å; V598-L626 HydrophobicContact CG2-CB 4.26Å; V598-L626 HydrophobicContact CG2-CD2 4.06Å; F601-L626 HydrophobicContact CD1-CD2 3.95Å; F601-L626 HydrophobicContact CE1-CD2 3.92Å; F616-L626 HydrophobicContact CD1-CD1 4.29Å; F616-L626 HydrophobicContact CE1-CD1 3.97Å; I621-L626 HydrophobicContact CG2-CB 4.13Å; I621-L626 HydrophobicContact CG2-CD1 4.5Å; D622-L626 WeakPolarHBondContact O-CB 3.17Å; D622-L626 PolarHBondContact O-N 3.25Å; K624-L626 VanDerWaalsContact C-N 3.35Å; L626-L628 VanDerWaalsContact C-N 3.27Å; L626-L628 PolarHBondContact O-N 3.35Å; L626-L629 HydrophobicContact CD1-CD2 4.38Å; L626-L629 WeakPolarHBondContact O-CB 3.46Å; L626-L629 PolarHBondContact O-N 3.35Å; L626-I652 HydrophobicContact CD1-CD1 3.57Å; L626-I652 HydrophobicContact CD1-CG1 3.81Å; L626-I652 HydrophobicContact CG-CD1 4.17Å; L626-I652 HydrophobicContact CG-CG1 4.03Å; L626-I652 WeakPolarHBondContact O-CG2 3.49Å; L626-L655 HydrophobicContact CD2-CD2 3.99Å
627	L	91.5	Very high	90.8	Very high	47 Å²	47	77.1 Å²	77.1	25%	0.246	36%	0.358	C	S	.	.	H	α-helix	trans	-65.1	-29.9	176.8	-70.3	170.2	0	0	0	112.8	P590 G623 K624 A625 K656	P590-L627 HydrophobicContact CB-CD1 4.19Å; P590-L627 HydrophobicContact CB-CD2 4.27Å; P590-L627 HydrophobicContact CB-CG 4.39Å; G623-L627 VanDerWaalsContact O-CG 3.32Å; G623-L627 WeakPolarHBondContact O-CG 3.48Å; G623-L627 PolarHBondContact O-N 3.17Å; G623-L627 VanDerWaalsContact O-N 3.11Å; K624-L627 PolarHBondContact O-N 2.8Å; A625-L627 PolarHBondContact O-N 2.98Å; L627-K656 HydrophobicContact CD2-CG 3.65Å; L627-K656 WeakPolarHBondContact O-CE 3.23Å; L627-K656 PolarHBondContact O-NZ 3.19Å
628	L	91.1	Very high	90.7	Very high	136 Å²	136	72.8 Å²	72.8	71%	0.712	34%	0.342	S	S	*	.	H	α-helix	trans	-86.9	-10.8	175.7	-63.7	175.9	0	0	0	113.5	K624 A625 L626 R630	K624-L628 WeakPolarHBondContact O-CG 3.18Å; K624-L628 PolarHBondContact O-N 3.35Å; A625-L628 CarbonylContact O-C 3.6Å; A625-L628 PolarHBondContact O-N 3.42Å; A625-L628 VanDerWaalsContact O-N 3.13Å; L626-L628 VanDerWaalsContact C-N 3.27Å; L626-L628 PolarHBondContact O-N 3.35Å; L628-R630 PolarHBondContact O-N 3.28Å
629	L	91.6	Very high	90.5	Very high	12 Å²	12	68 Å²	68	6%	0.063	34%	0.339	C	S	.	.			trans	-70.4	129.1	-171.2	-169	61	0	0	0	112.2	F616 I621 A625 L626 M633 M634 M638 I652	F616-L629 HydrophobicContact CE1-CD2 3.56Å; F616-L629 HydrophobicContact CZ-CD2 4.11Å; I621-L629 HydrophobicContact CG2-CD2 4.43Å; A625-L629 WeakPolarHBondContact O-CB 3.4Å; A625-L629 PolarHBondContact O-N 2.84Å; L626-L629 HydrophobicContact CD1-CD2 4.38Å; L626-L629 WeakPolarHBondContact O-CB 3.46Å; L626-L629 PolarHBondContact O-N 3.35Å; L629-M633 HydrophobicContact CD1-CB 4.2Å; L629-M634 HydrophobicContact CD1-CG 3.89Å; L629-M634 HydrophobicContact CD2-CG 3.61Å; L629-M634 HydrophobicContact CD2-SD 3.67Å; L629-M634 HydrophobicContact CG-CG 3.58Å; L629-M634 HydrophobicContact CG-SD 4.01Å; L629-M638 HydrophobicContact CD1-SD 4.22Å; L629-M638 HydrophobicContact CD2-SD 4.16Å; L629-I652 HydrophobicContact CB-CD1 4.47Å; L629-I652 HydrophobicContact CD2-CD1 4.38Å
630	R	89.1	Confident	90.3	Very high	147 Å²	147	65.1 Å²	65.1	56%	0.555	33%	0.325	S	S	*	.			trans	-108.9	152.4	-179.1	-62.4	172.1	50.6	89.8	15	111.8	L628 D632 M633 M634	L628-R630 PolarHBondContact O-N 3.28Å; R630-D632 VanDerWaalsContact C-N 3.31Å; R630-D632 WeakPolarHBondContact CB-OD1 3.22Å; R630-D632 IonicContact CZ-OD1 3.71Å; R630-D632 VanDerWaalsContact CZ-OD1 3.22Å; R630-D632 IonicContact NE-OD1 3.81Å; R630-D632 PolarHBondContact NE-OD1 3.36Å; R630-D632 IonicContact NE-OD2 2.71Å; R630-D632 IonicContact NH2-OD1 3.15Å; R630-D632 PolarHBondContact NH2-OD1 2.81Å; R630-D632 PolarHBondContact O-N 3.49Å; R630-M633 HydrophobicContact CB-CB 4.45Å; R630-M633 HydrophobicContact CB-CG 4.1Å; R630-M633 HydrophobicContact CB-SD 4.06Å; R630-M633 HydrophobicContact CG-SD 4.19Å; R630-M633 WeakPolarHBondContact O-CB 3.48Å; R630-M633 PolarHBondContact O-N 2.9Å; R630-M634 PolarHBondContact O-N 3.48Å
631	S	87.5	Confident	89.9	Confident	28 Å²	28	65.4 Å²	65.4	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-56.7	-41.2	176.2	51.4	0	0	0	0	113	M633 M634 M635	S631-M633 VanDerWaalsContact C-N 3.3Å; S631-M633 PolarHBondContact O-N 3.09Å; S631-M634 PolarHBondContact O-N 3.15Å; S631-M635 VanDerWaalsContact O-CG 3.31Å; S631-M635 WeakPolarHBondContact O-CG 3.37Å; S631-M635 PolarHBondContact O-N 3.17Å
632	D	79.9	Confident	89.3	Confident	67 Å²	67	68.1 Å²	68.1	36%	0.358	34%	0.339	S	S	.	.	H	α-helix	trans	-64.5	-32	175.3	57.2	-84	0	0	0	113.1	R630 K636	R630-D632 VanDerWaalsContact C-N 3.31Å; R630-D632 WeakPolarHBondContact CB-OD1 3.22Å; R630-D632 IonicContact CZ-OD1 3.71Å; R630-D632 VanDerWaalsContact CZ-OD1 3.22Å; R630-D632 IonicContact NE-OD1 3.81Å; R630-D632 PolarHBondContact NE-OD1 3.36Å; R630-D632 IonicContact NE-OD2 2.71Å; R630-D632 IonicContact NH2-OD1 3.15Å; R630-D632 PolarHBondContact NH2-OD1 2.81Å; R630-D632 PolarHBondContact O-N 3.49Å; D632-K636 WeakPolarHBondContact O-CB 3.11Å; D632-K636 PolarHBondContact O-N 3.07Å
633	M	88.9	Confident	88.9	Confident	78 Å²	78	67.5 Å²	67.5	38%	0.384	35%	0.345	S	S	.	.	H	α-helix	trans	-74	-44.5	175.7	-63.2	172.8	71.1	0	0	111.6	L629 R630 S631 M635 K636 Y637	L629-M633 HydrophobicContact CD1-CB 4.2Å; R630-M633 HydrophobicContact CB-CB 4.45Å; R630-M633 HydrophobicContact CB-CG 4.1Å; R630-M633 HydrophobicContact CB-SD 4.06Å; R630-M633 HydrophobicContact CG-SD 4.19Å; R630-M633 WeakPolarHBondContact O-CB 3.48Å; R630-M633 PolarHBondContact O-N 2.9Å; S631-M633 VanDerWaalsContact C-N 3.3Å; S631-M633 PolarHBondContact O-N 3.09Å; M633-M635 VanDerWaalsContact C-N 3.33Å; M633-M635 PolarHBondContact O-N 2.94Å; M633-K636 PolarHBondContact O-N 3.01Å; M633-Y637 HydrophobicContact CB-CD2 4.44Å; M633-Y637 WeakPolarHBondContact O-CB 3.48Å; M633-Y637 PolarHBondContact O-N 2.9Å
634	M	93	Very high	88.8	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59	-42.8	175.7	-69.3	-169.8	-72.5	0	0	112.1	F616 L629 R630 S631 M638 G639 L640 A645 L648 S649	F616-M634 HydrophobicContact CZ-SD 4.48Å; L629-M634 HydrophobicContact CD1-CG 3.89Å; L629-M634 HydrophobicContact CD2-CG 3.61Å; L629-M634 HydrophobicContact CD2-SD 3.67Å; L629-M634 HydrophobicContact CG-CG 3.58Å; L629-M634 HydrophobicContact CG-SD 4.01Å; R630-M634 PolarHBondContact O-N 3.48Å; S631-M634 PolarHBondContact O-N 3.15Å; M634-M638 HydrophobicContact CG-SD 4.1Å; M634-M638 CarbonylContact O-C 3.59Å; M634-M638 WeakPolarHBondContact O-CB 3.16Å; M634-M638 PolarHBondContact O-N 3.31Å; M634-G639 PolarHBondContact O-N 2.96Å; M634-G639 VanDerWaalsContact O-N 3.14Å; M634-L640 HydrophobicContact CB-CB 4.4Å; M634-L640 HydrophobicContact CB-CD1 4.31Å; M634-L640 HydrophobicContact CB-CD2 4.4Å; M634-L640 PolarHBondContact O-N 3.21Å; M634-L640 VanDerWaalsContact O-N 3.1Å; M634-L640 HydrophobicContact SD-CD2 4.39Å; M634-A645 HydrophobicContact CB-CB 4.39Å; M634-A645 HydrophobicContact CE-CB 4.46Å; M634-A645 VanDerWaalsContact CE-O 3.3Å; M634-A645 WeakPolarHBondContact CE-O 3.39Å; M634-L648 HydrophobicContact CE-CB 4.41Å; M634-L648 HydrophobicContact SD-CB 4.27Å; M634-L648 HydrophobicContact SD-CD2 3.77Å; M634-L648 HydrophobicContact SD-CG 4.03Å; M634-S649 VanDerWaalsContact CE-OG 3.28Å; M634-S649 WeakPolarHBondContact CE-OG 3.44Å
635	M	90.1	Very high	88.8	Confident	77 Å²	77	63.1 Å²	63.1	38%	0.379	33%	0.329	S	S	.	.	H	α-helix	trans	-70.7	-42.8	178.3	-67.7	176.5	64.1	0	0	112.5	S631 M633 L640 L642 A645	S631-M635 VanDerWaalsContact O-CG 3.31Å; S631-M635 WeakPolarHBondContact O-CG 3.37Å; S631-M635 PolarHBondContact O-N 3.17Å; M633-M635 VanDerWaalsContact C-N 3.33Å; M633-M635 PolarHBondContact O-N 2.94Å; M635-L640 WeakPolarHBondContact CA-O 3.43Å; M635-L640 WeakPolarHBondContact CG-O 3.35Å; M635-L642 HydrophobicContact CE-CB 3.93Å; M635-L642 HydrophobicContact CE-CD1 3.94Å; M635-L642 HydrophobicContact SD-CB 4.36Å; M635-L642 HydrophobicContact SD-CD1 3.64Å; M635-A645 HydrophobicContact CG-CB 3.62Å; M635-A645 HydrophobicContact SD-CB 4.22Å
636	K	85.6	Confident	88.7	Confident	150 Å²	150	65.5 Å²	65.5	65%	0.652	34%	0.337	S	S	*	.	H	α-helix	trans	-81.2	-36.8	-172.7	-174.4	178.9	174	-160.5	0	114.3	D632 M633	D632-K636 WeakPolarHBondContact O-CB 3.11Å; D632-K636 PolarHBondContact O-N 3.07Å; M633-K636 PolarHBondContact O-N 3.01Å
637	Y	86.1	Confident	88.5	Confident	148 Å²	148	69 Å²	69	58%	0.58	35%	0.352	S	S	*	.	H	α-helix	trans	-112.7	-28.7	-170.8	-62.2	-77.1	0	0	0	113.8	H619 M633	H619-Y637 PolarHBondContact CE1-O 3.13Å; M633-Y637 HydrophobicContact CB-CD2 4.44Å; M633-Y637 WeakPolarHBondContact O-CB 3.48Å; M633-Y637 PolarHBondContact O-N 2.9Å
638	M	91.8	Very high	88.6	Confident	14 Å²	14	66.8 Å²	66.8	7%	0.069	34%	0.34	C	S	.	.	S	Bend	trans	-99.4	-7.1	175.3	-52.7	174.5	72.7	0	0	112.8	L615 F616 H619 I621 L629 M634 L640	L615-M638 HydrophobicContact CB-CE 3.95Å; F616-M638 HydrophobicContact CD1-CE 4.09Å; F616-M638 HydrophobicContact CD2-CE 4Å; F616-M638 HydrophobicContact CE1-CE 3.8Å; F616-M638 HydrophobicContact CE1-SD 4.49Å; F616-M638 HydrophobicContact CE2-CE 3.68Å; F616-M638 HydrophobicContact CG-CE 4.14Å; F616-M638 HydrophobicContact CZ-CE 3.51Å; F616-M638 HydrophobicContact CZ-SD 4.26Å; H619-M638 HydrophobicContact CB-CE 4.25Å; H619-M638 HydrophobicContact CB-CG 4.46Å; I621-M638 HydrophobicContact CG1-CE 4.08Å; L629-M638 HydrophobicContact CD1-SD 4.22Å; L629-M638 HydrophobicContact CD2-SD 4.16Å; M634-M638 HydrophobicContact CG-SD 4.1Å; M634-M638 CarbonylContact O-C 3.59Å; M634-M638 WeakPolarHBondContact O-CB 3.16Å; M634-M638 PolarHBondContact O-N 3.31Å; M638-L640 VanDerWaalsContact C-N 3.33Å; M638-L640 HydrophobicContact CB-CD1 3.52Å; M638-L640 PolarHBondContact O-N 2.86Å
639	G	86.5	Confident	88.6	Confident	60 Å²	60	61.1 Å²	61.1	62%	0.619	31%	0.312	S	S	*	.			trans	73.3	16.2	176.6	0	0	0	0	0	115.3	M634	M634-G639 PolarHBondContact O-N 2.96Å; M634-G639 VanDerWaalsContact O-N 3.14Å
640	L	90.3	Very high	88.6	Confident	7 Å²	7	67.2 Å²	67.2	4%	0.037	34%	0.335	C	S	.	.			trans	-64.6	140	177.2	-81.8	80	0	0	0	110.8	L615 M634 M635 M638 P644 A645 L648	L615-L640 HydrophobicContact CD1-CD1 3.65Å; L615-L640 HydrophobicContact CD1-CG 4.34Å; M634-L640 HydrophobicContact CB-CB 4.4Å; M634-L640 HydrophobicContact CB-CD1 4.31Å; M634-L640 HydrophobicContact CB-CD2 4.4Å; M634-L640 PolarHBondContact O-N 3.21Å; M634-L640 VanDerWaalsContact O-N 3.1Å; M634-L640 HydrophobicContact SD-CD2 4.39Å; M635-L640 WeakPolarHBondContact CA-O 3.43Å; M635-L640 WeakPolarHBondContact CG-O 3.35Å; M638-L640 VanDerWaalsContact C-N 3.33Å; M638-L640 HydrophobicContact CB-CD1 3.52Å; M638-L640 PolarHBondContact O-N 2.86Å; L640-P644 HydrophobicContact CD2-CB 4.23Å; L640-A645 HydrophobicContact CB-CB 4.13Å; L640-L648 HydrophobicContact CD2-CD2 4.49Å
641	K	85	Confident	88.7	Confident	170 Å²	170	61.3 Å²	61.3	74%	0.739	31%	0.314	S	S	*	.			trans	-72.6	156.6	168.3	-64.9	-179.7	-177.7	176.8	0	109.8	G643 P644 A645	K641-G643 VanDerWaalsContact C-N 3.32Å; K641-G643 PolarHBondContact O-N 3.32Å; K641-P644 VanDerWaalsContact O-CD 3.3Å; K641-P644 WeakPolarHBondContact O-CD 3.09Å; K641-A645 WeakPolarHBondContact O-CB 3.37Å; K641-A645 PolarHBondContact O-N 3.39Å
642	L	83.1	Confident	88.9	Confident	78 Å²	78	60 Å²	60	41%	0.408	31%	0.305	S	S	.	.	H	α-helix	trans	-51.9	-44.5	-174.6	-179.1	62.9	0	0	0	113.5	M635 A645 L646	M635-L642 HydrophobicContact CE-CB 3.93Å; M635-L642 HydrophobicContact CE-CD1 3.94Å; M635-L642 HydrophobicContact SD-CB 4.36Å; M635-L642 HydrophobicContact SD-CD1 3.64Å; L642-A645 PolarHBondContact O-N 3.25Å; L642-L646 HydrophobicContact CD1-CD1 3.82Å; L642-L646 HydrophobicContact CD1-CD2 4.41Å; L642-L646 HydrophobicContact CD1-CG 3.89Å; L642-L646 HydrophobicContact CG-CD1 3.86Å; L642-L646 HydrophobicContact CG-CG 4.31Å; L642-L646 WeakPolarHBondContact O-CB 2.93Å; L642-L646 VanDerWaalsContact O-CG 3.31Å; L642-L646 WeakPolarHBondContact O-CG 3.45Å; L642-L646 PolarHBondContact O-N 3.48Å
643	G	85.1	Confident	89.3	Confident	42 Å²	42	60.2 Å²	60.2	43%	0.433	31%	0.306	S	S	.	.	H	α-helix	trans	-58	-61.1	178.7	0	0	0	0	0	113.3	K641 A645 L646 K647	K641-G643 VanDerWaalsContact C-N 3.32Å; K641-G643 PolarHBondContact O-N 3.32Å; G643-A645 VanDerWaalsContact C-N 3.3Å; G643-A645 PolarHBondContact O-N 3.09Å; G643-L646 PolarHBondContact O-N 2.97Å; G643-K647 PolarHBondContact O-N 3.05Å
644	P	91.3	Very high	89.2	Confident	30 Å²	30	60.2 Å²	60.2	20%	0.195	30%	0.301	C	S	.	.	H	α-helix	trans	-53	-40.9	172.5	-31.1	36.5	0	0	0	114.6	L609 L640 K641 K647 L648	L609-P644 HydrophobicContact CD2-CB 3.97Å; L640-P644 HydrophobicContact CD2-CB 4.23Å; K641-P644 VanDerWaalsContact O-CD 3.3Å; K641-P644 WeakPolarHBondContact O-CD 3.09Å; P644-K647 PolarHBondContact O-N 3.41Å; P644-L648 WeakPolarHBondContact O-CB 3.41Å; P644-L648 PolarHBondContact O-N 3Å
645	A	91.6	Very high	88.9	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-42.6	178.9	0	0	0	0	0	112.7	M634 M635 L640 K641 L642 G643 S649	M634-A645 HydrophobicContact CB-CB 4.39Å; M634-A645 HydrophobicContact CE-CB 4.46Å; M634-A645 VanDerWaalsContact CE-O 3.3Å; M634-A645 WeakPolarHBondContact CE-O 3.39Å; M635-A645 HydrophobicContact CG-CB 3.62Å; M635-A645 HydrophobicContact SD-CB 4.22Å; L640-A645 HydrophobicContact CB-CB 4.13Å; K641-A645 WeakPolarHBondContact O-CB 3.37Å; K641-A645 PolarHBondContact O-N 3.39Å; L642-A645 PolarHBondContact O-N 3.25Å; G643-A645 VanDerWaalsContact C-N 3.3Å; G643-A645 PolarHBondContact O-N 3.09Å; A645-S649 PolarHBondContact O-N 3.45Å; A645-S649 PolarHBondContact O-OG 3.01Å
646	L	89.1	Confident	88.7	Confident	84 Å²	84	61.8 Å²	61.8	44%	0.44	31%	0.306	S	S	.	.	H	α-helix	trans	-67.5	-43.2	176.5	-71.9	174.5	0	0	0	112	L642 G643 L648 S649 Y650	L642-L646 HydrophobicContact CD1-CD1 3.82Å; L642-L646 HydrophobicContact CD1-CD2 4.41Å; L642-L646 HydrophobicContact CD1-CG 3.89Å; L642-L646 HydrophobicContact CG-CD1 3.86Å; L642-L646 HydrophobicContact CG-CG 4.31Å; L642-L646 WeakPolarHBondContact O-CB 2.93Å; L642-L646 VanDerWaalsContact O-CG 3.31Å; L642-L646 WeakPolarHBondContact O-CG 3.45Å; L642-L646 PolarHBondContact O-N 3.48Å; G643-L646 PolarHBondContact O-N 2.97Å; L646-L648 PolarHBondContact O-N 3.3Å; L646-S649 PolarHBondContact O-N 3.46Å; L646-Y650 PolarHBondContact O-N 3.21Å
647	K	90.7	Very high	88.4	Confident	73 Å²	73	59.8 Å²	59.8	32%	0.317	30%	0.3	S	S	.	.	H	α-helix	trans	-55.3	-51.6	173.4	-79.1	-176.5	152.8	-151.1	0	111	D606 L609 G643 P644 S649 Y650 H651	D606-K647 IonicContact OD1-NZ 3.3Å; D606-K647 WeakPolarHBondContact OD2-CD 3.4Å; D606-K647 WeakPolarHBondContact OD2-CE 3.22Å; D606-K647 IonicContact OD2-NZ 3.9Å; D606-K647 PolarHBondContact OD2-NZ 2.82Å; L609-K647 HydrophobicContact CD1-CB 4.25Å; L609-K647 HydrophobicContact CD2-CB 4.14Å; L609-K647 HydrophobicContact CG-CB 4.5Å; G643-K647 PolarHBondContact O-N 3.05Å; P644-K647 PolarHBondContact O-N 3.41Å; K647-S649 PolarHBondContact O-N 3.44Å; K647-Y650 WeakPolarHBondContact O-CB 3.4Å; K647-Y650 PolarHBondContact O-N 3.48Å; K647-Y650 VanDerWaalsContact O-N 3.15Å; K647-H651 PolarHBondContact O-CD2 3.39Å; K647-H651 PolarHBondContact O-N 2.93Å
648	L	92.8	Very high	87.7	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-67	-37.8	-178.3	-174.8	50.4	0	0	0	112.5	F601 V602 L609 F616 M634 L640 P644 L646 Y650 H651 I652	F601-L648 HydrophobicContact CE1-CD1 4.22Å; V602-L648 HydrophobicContact CG2-CD1 4.02Å; V602-L648 HydrophobicContact CG2-CD2 4.33Å; L609-L648 HydrophobicContact CD1-CB 3.94Å; L609-L648 HydrophobicContact CD1-CD1 4.16Å; F616-L648 HydrophobicContact CE1-CD2 4Å; F616-L648 HydrophobicContact CE2-CD2 3.75Å; F616-L648 HydrophobicContact CZ-CD2 3.22Å; M634-L648 HydrophobicContact CE-CB 4.41Å; M634-L648 HydrophobicContact SD-CB 4.27Å; M634-L648 HydrophobicContact SD-CD2 3.77Å; M634-L648 HydrophobicContact SD-CG 4.03Å; L640-L648 HydrophobicContact CD2-CD2 4.49Å; P644-L648 WeakPolarHBondContact O-CB 3.41Å; P644-L648 PolarHBondContact O-N 3Å; L646-L648 PolarHBondContact O-N 3.3Å; L648-Y650 VanDerWaalsContact C-N 3.31Å; L648-Y650 PolarHBondContact O-N 3.46Å; L648-H651 PolarHBondContact O-N 3.15Å; L648-I652 HydrophobicContact CD1-CD1 4.15Å; L648-I652 HydrophobicContact CD1-CG1 4.12Å; L648-I652 HydrophobicContact CG-CD1 3.87Å; L648-I652 HydrophobicContact CG-CG1 4.34Å; L648-I652 VanDerWaalsContact O-CG1 3.31Å; L648-I652 WeakPolarHBondContact O-CG1 3.46Å; L648-I652 PolarHBondContact O-N 3.42Å
649	S	91.9	Very high	86.1	Confident	17 Å²	17	61.3 Å²	61.3	12%	0.119	33%	0.329	C	S	.	.	H	α-helix	trans	-57.4	-41.2	170.6	-76.6	0	0	0	0	112.6	M634 A645 L646 K647 H651 I652 D653	M634-S649 VanDerWaalsContact CE-OG 3.28Å; M634-S649 WeakPolarHBondContact CE-OG 3.44Å; A645-S649 PolarHBondContact O-N 3.45Å; A645-S649 PolarHBondContact O-OG 3.01Å; L646-S649 PolarHBondContact O-N 3.46Å; K647-S649 PolarHBondContact O-N 3.44Å; S649-H651 PolarHBondContact O-N 2.7Å; S649-I652 PolarHBondContact O-N 3.14Å; S649-D653 WeakPolarHBondContact O-CB 3.45Å; S649-D653 VanDerWaalsContact O-CG 3.31Å; S649-D653 PolarHBondContact O-N 3.27Å
650	Y	91.9	Very high	84.7	Confident	140 Å²	140	62.7 Å²	62.7	55%	0.549	32%	0.318	S	S	.	.	H	α-helix	trans	-60.4	-41.7	175.2	168	-94.8	0	0	0	112.9	L646 K647 L648 D653 R654	L646-Y650 PolarHBondContact O-N 3.21Å; K647-Y650 WeakPolarHBondContact O-CB 3.4Å; K647-Y650 PolarHBondContact O-N 3.48Å; K647-Y650 VanDerWaalsContact O-N 3.15Å; L648-Y650 VanDerWaalsContact C-N 3.31Å; L648-Y650 PolarHBondContact O-N 3.46Å; Y650-D653 PolarHBondContact O-N 2.97Å; Y650-R654 PolarHBondContact O-N 3.4Å
651	H	90.8	Very high	84.4	Confident	24 Å²	24	65.5 Å²	65.5	11%	0.111	33%	0.332	C	S	.	.	H	α-helix	trans	-70.2	-40.9	176.7	-67.3	-77	0	0	0	112.5	F601 A605 K647 L648 S649 D653 R654 L655	F601-H651 HydrophobicContact CZ-CB 3.94Å; A605-H651 HydrophobicContact CB-CB 4.16Å; A605-H651 PolarHBondContact O-CE1 3.49Å; K647-H651 PolarHBondContact O-CD2 3.39Å; K647-H651 PolarHBondContact O-N 2.93Å; L648-H651 PolarHBondContact O-N 3.15Å; S649-H651 PolarHBondContact O-N 2.7Å; H651-D653 VanDerWaalsContact C-N 3.33Å; H651-D653 PolarHBondContact O-N 2.76Å; H651-R654 PolarHBondContact O-N 2.95Å; H651-L655 WeakPolarHBondContact O-CB 3.41Å; H651-L655 PolarHBondContact O-N 2.95Å
652	I	91.6	Very high	84.4	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-40.5	174.1	-68	169.2	0	0	0	111	F601 L626 L629 L648 S649 L655 K656	F601-I652 HydrophobicContact CE1-CG1 4.44Å; L626-I652 HydrophobicContact CD1-CD1 3.57Å; L626-I652 HydrophobicContact CD1-CG1 3.81Å; L626-I652 HydrophobicContact CG-CD1 4.17Å; L626-I652 HydrophobicContact CG-CG1 4.03Å; L626-I652 WeakPolarHBondContact O-CG2 3.49Å; L629-I652 HydrophobicContact CB-CD1 4.47Å; L629-I652 HydrophobicContact CD2-CD1 4.38Å; L648-I652 HydrophobicContact CD1-CD1 4.15Å; L648-I652 HydrophobicContact CD1-CG1 4.12Å; L648-I652 HydrophobicContact CG-CD1 3.87Å; L648-I652 HydrophobicContact CG-CG1 4.34Å; L648-I652 VanDerWaalsContact O-CG1 3.31Å; L648-I652 WeakPolarHBondContact O-CG1 3.46Å; L648-I652 PolarHBondContact O-N 3.42Å; S649-I652 PolarHBondContact O-N 3.14Å; I652-L655 WeakPolarHBondContact O-CB 3.49Å; I652-L655 PolarHBondContact O-N 2.8Å; I652-K656 HydrophobicContact CG2-CD 4.42Å; I652-K656 WeakPolarHBondContact O-CG 3.48Å; I652-K656 PolarHBondContact O-N 2.97Å
653	D	88.3	Confident	84.4	Confident	70 Å²	70	58.9 Å²	58.9	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-77	-23.5	-179.7	-68.8	-20	0	0	0	113	S649 Y650 H651 K656 Q657	S649-D653 WeakPolarHBondContact O-CB 3.45Å; S649-D653 VanDerWaalsContact O-CG 3.31Å; S649-D653 PolarHBondContact O-N 3.27Å; Y650-D653 PolarHBondContact O-N 2.97Å; H651-D653 VanDerWaalsContact C-N 3.33Å; H651-D653 PolarHBondContact O-N 2.76Å; D653-K656 WeakPolarHBondContact OD1-CD 3.43Å; D653-K656 IonicContact OD1-NZ 2.67Å; D653-K656 PolarHBondContact OD1-NZ 3.07Å; D653-Q657 VanDerWaalsContact O-CG 3.3Å; D653-Q657 WeakPolarHBondContact O-CG 3.41Å; D653-Q657 PolarHBondContact O-NE2 2.91Å
654	R	86.8	Confident	84.4	Confident	78 Å²	78	59.9 Å²	59.9	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-68.2	-42.6	163.2	-85.8	-172.4	59.2	-165.5	-9.9	112.1	Y650 H651 Q657 G658 K659 F660	Y650-R654 PolarHBondContact O-N 3.4Å; H651-R654 PolarHBondContact O-N 2.95Å; R654-Q657 PolarHBondContact O-N 2.82Å; R654-Q657 VanDerWaalsContact O-N 3.11Å; R654-G658 PolarHBondContact O-N 3.04Å; R654-K659 VanDerWaalsContact CZ-O 3.25Å; R654-K659 PolarHBondContact NE-O 3.43Å; R654-K659 PolarHBondContact NH2-O 3.47Å; R654-K659 PolarHBondContact O-N 3.38Å; R654-K659 VanDerWaalsContact O-N 3.09Å; R654-F660 PolarHBondContact NH2-OXT 2.87Å
655	L	87.6	Confident	84	Confident	11 Å²	11	61.8 Å²	61.8	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-47	179.5	-172.1	64.4	0	0	0	111.3	P590 W593 F601 L626 H651 I652 Q657 G658 F660	P590-L655 HydrophobicContact CB-CD1 4.45Å; P590-L655 HydrophobicContact CB-CD2 3.97Å; P590-L655 HydrophobicContact CB-CG 4.1Å; P590-L655 HydrophobicContact CG-CD1 3.62Å; P590-L655 HydrophobicContact CG-CD2 4.04Å; P590-L655 HydrophobicContact CG-CG 3.65Å; W593-L655 HydrophobicContact CE3-CD2 4.37Å; W593-L655 HydrophobicContact CH2-CD1 3.51Å; W593-L655 HydrophobicContact CH2-CD2 3.72Å; W593-L655 HydrophobicContact CH2-CG 4.25Å; W593-L655 HydrophobicContact CZ2-CD1 4.01Å; W593-L655 HydrophobicContact CZ3-CD1 4.25Å; W593-L655 HydrophobicContact CZ3-CD2 3.56Å; F601-L655 HydrophobicContact CD2-CD2 4.36Å; F601-L655 HydrophobicContact CE1-CD2 4.4Å; F601-L655 HydrophobicContact CE2-CB 4.28Å; F601-L655 HydrophobicContact CE2-CD1 4.14Å; F601-L655 HydrophobicContact CE2-CD2 3.85Å; F601-L655 HydrophobicContact CE2-CG 4.32Å; F601-L655 HydrophobicContact CZ-CB 4.29Å; F601-L655 HydrophobicContact CZ-CD2 3.87Å; L626-L655 HydrophobicContact CD2-CD2 3.99Å; H651-L655 WeakPolarHBondContact O-CB 3.41Å; H651-L655 PolarHBondContact O-N 2.95Å; I652-L655 WeakPolarHBondContact O-CB 3.49Å; I652-L655 PolarHBondContact O-N 2.8Å; L655-Q657 PolarHBondContact O-N 3.39Å; L655-Q657 VanDerWaalsContact O-N 3.17Å; L655-G658 PolarHBondContact O-N 3.47Å; L655-F660 HydrophobicContact CD1-CB 3.88Å; L655-F660 HydrophobicContact CD1-CD1 4.36Å; L655-F660 HydrophobicContact CD1-CD2 4.36Å; L655-F660 HydrophobicContact CD1-CG 3.94Å
656	K	84.4	Confident	83.5	Confident	99 Å²	99	65.9 Å²	65.9	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-55.8	-28.7	172.4	-72	168.1	-170.6	159.7	0	114.3	L627 I652 D653 G658	L627-K656 HydrophobicContact CD2-CG 3.65Å; L627-K656 WeakPolarHBondContact O-CE 3.23Å; L627-K656 PolarHBondContact O-NZ 3.19Å; I652-K656 HydrophobicContact CG2-CD 4.42Å; I652-K656 WeakPolarHBondContact O-CG 3.48Å; I652-K656 PolarHBondContact O-N 2.97Å; D653-K656 WeakPolarHBondContact OD1-CD 3.43Å; D653-K656 IonicContact OD1-NZ 2.67Å; D653-K656 PolarHBondContact OD1-NZ 3.07Å; K656-G658 VanDerWaalsContact C-N 3.33Å
657	Q	80.7	Confident	83.1	Confident	109 Å²	109	64.6 Å²	64.6	51%	0.509	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.6	-179.1	-73.5	173.4	64.1	0	0	113.5	D653 R654 L655 K659	D653-Q657 VanDerWaalsContact O-CG 3.3Å; D653-Q657 WeakPolarHBondContact O-CG 3.41Å; D653-Q657 PolarHBondContact O-NE2 2.91Å; R654-Q657 PolarHBondContact O-N 2.82Å; R654-Q657 VanDerWaalsContact O-N 3.11Å; L655-Q657 PolarHBondContact O-N 3.39Å; L655-Q657 VanDerWaalsContact O-N 3.17Å; Q657-K659 HydrophobicContact CB-CB 4.36Å; Q657-K659 HydrophobicContact CB-CD 3.91Å; Q657-K659 HydrophobicContact CB-CG 4.03Å; Q657-K659 PolarHBondContact O-N 3.45Å
658	G	69.8	Low	82.5	Confident	71 Å²	71	64 Å²	64	73%	0.732	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	22.1	-171.4	0	0	0	0	0	113.2	R654 L655 K656	R654-G658 PolarHBondContact O-N 3.04Å; L655-G658 PolarHBondContact O-N 3.47Å; K656-G658 VanDerWaalsContact C-N 3.33Å
659	K	59	Low	81.6	Confident	122 Å²	122	69.3 Å²	69.3	53%	0.53	34%	0.342	S	S	.	.			trans	-110.9	46.5	-177.3	-63.4	173	-170.6	166.3	0	110.6	R654 Q657	R654-K659 VanDerWaalsContact CZ-O 3.25Å; R654-K659 PolarHBondContact NE-O 3.43Å; R654-K659 PolarHBondContact NH2-O 3.47Å; R654-K659 PolarHBondContact O-N 3.38Å; R654-K659 VanDerWaalsContact O-N 3.09Å; Q657-K659 HydrophobicContact CB-CB 4.36Å; Q657-K659 HydrophobicContact CB-CD 3.91Å; Q657-K659 HydrophobicContact CB-CG 4.03Å; Q657-K659 PolarHBondContact O-N 3.45Å
660	F	56.8	Low	80.7	Confident	89 Å²	89	74 Å²	74	39%	0.39	36%	0.362	S	S	.	.			trans	-89.8	0	177.1	-174.2	-121	0	0	0	110.2	F601 R654 L655	F601-F660 HydrophobicContact CD2-CD2 4.18Å; F601-F660 HydrophobicContact CD2-CE1 4.28Å; F601-F660 AromaticContact CD2-CE2 3.5Å; F601-F660 HydrophobicContact CD2-CE2 3.5Å; F601-F660 AromaticContact CD2-CZ 3.57Å; F601-F660 HydrophobicContact CD2-CZ 3.57Å; F601-F660 AromaticContact CE2-CD2 3.73Å; F601-F660 HydrophobicContact CE2-CD2 3.73Å; F601-F660 AromaticContact CE2-CE2 3.39Å; F601-F660 HydrophobicContact CE2-CE2 3.39Å; F601-F660 AromaticContact CE2-CZ 3.98Å; F601-F660 HydrophobicContact CE2-CZ 3.98Å; R654-F660 PolarHBondContact NH2-OXT 2.87Å; L655-F660 HydrophobicContact CD1-CB 3.88Å; L655-F660 HydrophobicContact CD1-CD1 4.36Å; L655-F660 HydrophobicContact CD1-CD2 4.36Å; L655-F660 HydrophobicContact CD1-CG 3.94Å

Retrieved 660 of 660 residues in 808.1 ms (Link to these results)

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