A0A096NJT6_PAPAN Loading...

FAD-dependent oxidoreductase domain-containing protein 2

Probable flavoprotein which may function in endoplasmic reticulum associated degradation (ERAD). May bind non-native proteins in the endoplasmic reticulum and target them to the ubiquitination machinery for subsequent degradation.

AlphaFold DB (A0A2K5NL92), UniProt , Accession A0A096NJT6, Species PAPAN (Papio anubis, Olive baboon), Gene FOXRED2, Length 684 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	36	Very low	33.4	Very low	253 Å²	253	134.6 Å²	134.6	100%	1.246	85%	0.846	S	S	*	*				0	121.6	0	-65.5	177.3	-174.9	0	0	106.9
2	G	33.6	Very low	33.7	Very low	80 Å²	80	134 Å²	134	83%	0.825	84%	0.844	S	S	*	*			cis	-157.4	162	-4.1	0	0	0	0	0	107.9
3	L	31.7	Very low	34.3	Very low	172 Å²	172	133.8 Å²	133.8	90%	0.901	84%	0.844	S	S	*	*			trans	-73.2	163.9	-176.8	-74.7	138.1	0	0	0	114.3
4	S	30	Very low	34.5	Very low	112 Å²	112	129.7 Å²	129.7	78%	0.783	84%	0.841	S	S	*	*			trans	127.4	108.8	139.4	-77.4	0	0	0	0	112.4
5	A	35	Very low	34.7	Very low	98 Å²	98	132.7 Å²	132.7	81%	0.81	85%	0.846	S	S	*	*				71.7	107.6	59.5	0	0	0	0	0	113.6
6	A	31.5	Very low	34.7	Very low	104 Å²	104	135.3 Å²	135.3	86%	0.86	85%	0.85	S	S	*	*				174.7	121.5	125.8	0	0	0	0	0	111.4
7	A	32.3	Very low	34.8	Very low	91 Å²	91	136.8 Å²	136.8	75%	0.752	85%	0.85	S	S	*	*			trans	-79.6	175.6	159.4	0	0	0	0	0	109.9
8	P	42.8	Very low	34.9	Very low	110 Å²	110	134.5 Å²	134.5	71%	0.714	85%	0.846	S	S	*	*				-147.9	145.7	69.5	29.9	-4.9	0	0	0	115.7
9	L	33.3	Very low	35.2	Very low	149 Å²	149	135.3 Å²	135.3	78%	0.78	84%	0.842	S	S	*	*				61.6	128.3	105.2	-68.7	158.6	0	0	0	115
10	W	31.3	Very low	35.4	Very low	243 Å²	243	132 Å²	132	92%	0.92	83%	0.828	S	S	*	*			cis	-166.7	157.4	45.2	-92	-12.9	0	0	0	113.4
11	G	30	Very low	35.4	Very low	69 Å²	69	133.8 Å²	133.8	71%	0.711	83%	0.831	S	S	*	*			trans	143.6	127	153.4	0	0	0	0	0	115.7
12	P	37	Very low	35.4	Very low	127 Å²	127	129 Å²	129	83%	0.825	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-88.5	156.6	-155.6	35.6	-35.3	0	0	0	115.8
13	P	41.5	Very low	35.6	Very low	131 Å²	131	130.7 Å²	130.7	85%	0.851	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-86.7	139.8	178.2	34.1	-32.2	0	0	0	112.9
14	G	36.6	Very low	35.9	Very low	77 Å²	77	127.1 Å²	127.1	79%	0.794	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-73	155.6	-178.2	0	0	0	0	0	115.6
15	L	37.2	Very low	36.6	Very low	174 Å²	174	129 Å²	129	91%	0.911	80%	0.797	S	S	*	*			trans	-33.8	130.1	172.9	-113	69.9	0	0	0	116.3
16	L	34.8	Very low	37.3	Very low	174 Å²	174	129.1 Å²	129.1	91%	0.911	79%	0.792	S	S	*	*			trans	-64.6	124.9	160.4	-81.3	150.1	0	0	0	110.6	A18	L16-A18 PolarHBondContact O-N 3.4Å
17	L	37.4	Very low	38.5	Very low	162 Å²	162	130 Å²	130	85%	0.848	79%	0.786	S	S	*	*			trans	-78.7	108.8	173.9	-144.4	90.4	0	0	0	109.4	I19	L17-I19 PolarHBondContact O-N 3.1Å
18	A	36.9	Very low	40	Very low	95 Å²	95	126.7 Å²	126.7	79%	0.785	76%	0.757	S	S	*	*			trans	-74.6	112.9	167.1	0	0	0	0	0	109.2	L16 A20	L16-A18 PolarHBondContact O-N 3.4Å; A18-A20 PolarHBondContact O-N 2.85Å; A18-A20 VanDerWaalsContact O-N 3.14Å
19	I	40.5	Very low	41.2	Very low	150 Å²	150	125.9 Å²	125.9	77%	0.769	75%	0.752	S	S	*	*			trans	-76	99.2	170.2	-62.5	174.2	0	0	0	107.4	L17 L21	L17-I19 PolarHBondContact O-N 3.1Å; I19-L21 PolarHBondContact O-N 3.21Å
20	A	38.1	Very low	43.7	Very low	69 Å²	69	125.1 Å²	125.1	57%	0.57	74%	0.739	S	S	*	*			trans	-68.8	106.9	166	0	0	0	0	0	109	A18 H22	A18-A20 PolarHBondContact O-N 2.85Å; A18-A20 VanDerWaalsContact O-N 3.14Å; A20-H22 VanDerWaalsContact C-N 3.3Å; A20-H22 PolarHBondContact O-N 3.08Å; A20-H22 PolarHBondContact O-ND1 3.47Å
21	L	36.7	Very low	46.7	Very low	169 Å²	169	117.2 Å²	117.2	89%	0.885	71%	0.709	S	S	*	*			trans	-56.9	94.9	161.8	-89.3	147.5	0	0	0	108.3	I19	I19-L21 PolarHBondContact O-N 3.21Å
22	H	34.6	Very low	49.9	Very low	154 Å²	154	116.8 Å²	116.8	71%	0.713	69%	0.691	S	S	*	*			trans	-67.3	129.7	165	-73.5	51.4	0	0	0	106.7	A20 A24	A20-H22 VanDerWaalsContact C-N 3.3Å; A20-H22 PolarHBondContact O-N 3.08Å; A20-H22 PolarHBondContact O-ND1 3.47Å; H22-A24 PolarHBondContact O-N 3.23Å
23	P	39.3	Very low	52.8	Low	115 Å²	115	110.8 Å²	110.8	75%	0.747	65%	0.652	S	S	*	*			trans	-60.3	121.2	166.1	27.2	-29	0	0	0	105.5	L25	P23-L25 VanDerWaalsContact C-N 3.33Å; P23-L25 PolarHBondContact O-N 2.8Å
24	A	37.6	Very low	55.5	Low	96 Å²	96	104.6 Å²	104.6	79%	0.793	61%	0.611	S	S	*	*			trans	-55.5	105.9	168.4	0	0	0	0	0	106.3	H22 S26	H22-A24 PolarHBondContact O-N 3.23Å; A24-S26 PolarHBondContact O-N 3.21Å
25	L	43.3	Very low	58.5	Low	152 Å²	152	101 Å²	101	80%	0.796	57%	0.574	S	S	*	*			trans	-58.2	94.9	167.8	-82.6	154.6	0	0	0	105.6	P23 V27	P23-L25 VanDerWaalsContact C-N 3.33Å; P23-L25 PolarHBondContact O-N 2.8Å; L25-V27 PolarHBondContact O-N 3.24Å
26	S	49.8	Very low	61.4	Low	101 Å²	101	93.1 Å²	93.1	71%	0.706	53%	0.533	S	S	*	.			trans	-59.1	113.5	172.3	57.8	0	0	0	0	106.3	A24 P28	A24-S26 PolarHBondContact O-N 3.21Å; S26-P28 VanDerWaalsContact O-N 3.12Å
27	V	58.6	Low	64.4	Low	121 Å²	121	85.2 Å²	85.2	73%	0.733	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-54.1	121.7	173.6	177.7	0	0	0	0	106.7	L25	L25-V27 PolarHBondContact O-N 3.24Å
28	P	62.8	Low	67.3	Low	22 Å²	22	77.5 Å²	77.5	14%	0.143	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-58	141.4	-176.7	21.9	-31.2	0	0	0	109.5	S26 R30 M172 Q174	S26-P28 VanDerWaalsContact O-N 3.12Å; P28-R30 PolarHBondContact O-N 2.87Å; P28-M172 HydrophobicContact CB-CB 4.27Å; P28-M172 VanDerWaalsContact CB-O 3.28Å; P28-M172 WeakPolarHBondContact CB-O 3.45Å; P28-M172 HydrophobicContact CG-CB 4.5Å; P28-Q174 HydrophobicContact CB-CB 4.31Å; P28-Q174 HydrophobicContact CG-CB 3.96Å
29	P	67.6	Low	70.2	Confident	94 Å²	94	73.8 Å²	73.8	61%	0.61	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-57.1	118.5	179.9	22.3	-31.2	0	0	0	108.9
30	R	86.3	Confident	73	Confident	132 Å²	132	67.5 Å²	67.5	50%	0.498	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.5	-175.7	177.3	179.7	167.5	-172.9	-4.5	109.3	P28 Y162	P28-R30 PolarHBondContact O-N 2.87Å; R30-Y162 PolarHBondContact NH1-OH 2.95Å; R30-Y162 VanDerWaalsContact NH2-CE1 3.27Å; R30-Y162 PolarHBondContact NH2-OH 2.89Å
31	R	94.4	Very high	75.9	Confident	77 Å²	77	64.4 Å²	64.4	29%	0.291	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	162.7	172.2	-61.3	-68.9	-160.6	-170.4	0.9	111	D55 E57 Q174 C175 S176	R31-D55 WeakPolarHBondContact CA-OD2 3.5Å; R31-D55 VanDerWaalsContact CD-CG 3.45Å; R31-D55 VanDerWaalsContact CD-OD1 3.24Å; R31-D55 WeakPolarHBondContact CD-OD1 3.34Å; R31-D55 WeakPolarHBondContact CD-OD2 3.47Å; R31-D55 IonicContact CZ-OD1 3.94Å; R31-D55 IonicContact NE-OD1 3.38Å; R31-D55 IonicContact NH1-OD1 2.7Å; R31-D55 PolarHBondContact NH1-OD1 3.06Å; R31-D55 IonicContact NH1-OD2 3.02Å; R31-E57 IonicContact CZ-OE2 3.54Å; R31-E57 IonicContact NE-OE2 3.38Å; R31-E57 IonicContact NH2-OE2 2.76Å; R31-E57 PolarHBondContact NH2-OE2 3.18Å; R31-Q174 PolarHBondContact N-O 2.99Å; R31-C175 HydrophobicContact CB-CB 4.27Å; R31-C175 WeakPolarHBondContact O-CA 3.04Å; R31-S176 PolarHBondContact O-N 3.05Å
32	D	96.1	Very high	78.9	Confident	61 Å²	61	56.4 Å²	56.4	33%	0.326	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-44.9	167.2	-71.6	-26.5	0	0	0	110.6	D55 S176 V177	D32-D55 HydrophobicContact CB-CB 4.45Å; D32-D55 WeakPolarHBondContact CB-O 3.29Å; D32-D55 PolarHBondContact N-O 3.23Å; D32-S176 WeakPolarHBondContact O-CB 3.33Å; D32-S176 PolarHBondContact O-N 3.5Å; D32-S176 VanDerWaalsContact O-N 3.15Å; D32-V177 PolarHBondContact O-N 2.85Å
33	Y	98.5	Very high	81.9	Confident	1 Å²	1	49 Å²	49	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130	-173.5	-60.1	-85.5	0	0	0	112.7	L49 R54 D55 Y56 E57 V177 L179 L413 H418	Y33-L49 HydrophobicContact CD1-CD2 4.2Å; Y33-L49 HydrophobicContact CD2-CD2 3.9Å; Y33-L49 HydrophobicContact CE1-CD2 4.35Å; Y33-L49 HydrophobicContact CE2-CD2 4.05Å; Y33-L49 HydrophobicContact CG-CD1 4.2Å; Y33-L49 HydrophobicContact CG-CD2 3.99Å; Y33-R54 HydrophobicContact CD2-CB 4.11Å; Y33-R54 HydrophobicContact CE2-CB 4.02Å; Y33-R54 HydrophobicContact CE2-CG 4.32Å; Y33-D55 PolarHBondContact N-O 3.3Å; Y33-Y56 WeakPolarHBondContact O-CA 3.3Å; Y33-E57 PolarHBondContact O-N 2.89Å; Y33-E57 VanDerWaalsContact O-N 3.12Å; Y33-V177 WeakPolarHBondContact CA-O 3.44Å; Y33-V177 HydrophobicContact CD1-CB 3.56Å; Y33-V177 HydrophobicContact CD1-CG1 3.76Å; Y33-V177 HydrophobicContact CD1-CG2 4.15Å; Y33-V177 HydrophobicContact CE1-CB 3.73Å; Y33-V177 HydrophobicContact CE1-CG1 3.88Å; Y33-V177 HydrophobicContact CE1-CG2 3.8Å; Y33-L179 HydrophobicContact CD1-CD1 3.9Å; Y33-L179 HydrophobicContact CG-CD1 4.46Å; Y33-L413 HydrophobicContact CE1-CB 4.48Å; Y33-L413 HydrophobicContact CE1-CD1 4.08Å; Y33-L413 HydrophobicContact CE1-CD2 4.41Å; Y33-H418 AromaticContact CE2-NE2 3.48Å; Y33-H418 WeakPolarHBondContact CE2-NE2 3.22Å; Y33-H418 AromaticContact CZ-NE2 3.62Å; Y33-H418 PolarHBondContact OH-CD2 2.79Å; Y33-H418 PolarHBondContact OH-NE2 3.37Å
34	C	98.6	Very high	84.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.7	159.8	-55.2	0	0	0	0	109.5	F59 L165 C175 V177 L178 L179	C34-F59 HydrophobicContact CB-CD2 4.41Å; C34-F59 HydrophobicContact CB-CE2 3.96Å; C34-L165 HydrophobicContact CB-CD1 4.35Å; C34-L165 HydrophobicContact CB-CD2 3.97Å; C34-C175 HydrophobicContact CB-CB 4.02Å; C34-C175 WeakPolarHBondContact CB-SG 3.25Å; C34-C175 WeakPolarHBondContact SG-CB 3.47Å; C34-C175 CovalentContact SG-SG 2.03Å; C34-C175 PolarHBondContact SG-SG 2.88Å; C34-V177 PolarHBondContact N-O 3.02Å; C34-L178 HydrophobicContact CB-CD1 4.03Å; C34-L179 WeakPolarHBondContact O-CB 3.43Å; C34-L179 PolarHBondContact O-N 3.07Å
35	V	98.8	Very high	87.7	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.2	169.8	-175.2	0	0	0	0	108.8	M45 L49 E57 V58 F59 L179 A181	V35-M45 HydrophobicContact CG2-CG 4.39Å; V35-L49 HydrophobicContact CG2-CD1 4.07Å; V35-E57 PolarHBondContact N-O 3.42Å; V35-V58 HydrophobicContact CB-CB 4.28Å; V35-V58 HydrophobicContact CB-CG1 4.22Å; V35-V58 HydrophobicContact CB-CG2 3.92Å; V35-V58 HydrophobicContact CG1-CG1 4.2Å; V35-V58 HydrophobicContact CG1-CG2 4.36Å; V35-V58 HydrophobicContact CG2-CG2 4.3Å; V35-V58 CarbonylContact O-C 3.57Å; V35-V58 WeakPolarHBondContact O-CA 3.48Å; V35-F59 PolarHBondContact O-N 2.94Å; V35-L179 CarbonylContact C-O 3.55Å; V35-L179 WeakPolarHBondContact CA-O 3.25Å; V35-L179 HydrophobicContact CB-CB 4.48Å; V35-L179 HydrophobicContact CG2-CB 4.12Å; V35-L179 HydrophobicContact CG2-CD1 3.76Å; V35-A181 HydrophobicContact CG1-CB 4.4Å
36	L	98.4	Very high	90.3	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.047	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	107.4	179.4	-172.7	66.5	0	0	0	110.5	F59 I146 L179 V180 A181 T182 I347 F348	L36-F59 HydrophobicContact CD1-CB 4.34Å; L36-I146 HydrophobicContact CD1-CB 3.66Å; L36-I146 HydrophobicContact CD1-CG1 3.5Å; L36-I146 VanDerWaalsContact CD1-CG1 3.5Å; L36-I146 HydrophobicContact CD1-CG2 4.38Å; L36-L179 PolarHBondContact N-O 3.24Å; L36-V180 HydrophobicContact CD2-CG1 4.49Å; L36-A181 CarbonylContact O-C 3.57Å; L36-A181 VanDerWaalsContact O-CA 3.28Å; L36-A181 WeakPolarHBondContact O-CA 3.38Å; L36-A181 PolarHBondContact O-N 2.52Å; L36-T182 HydrophobicContact CB-CG2 4.28Å; L36-T182 HydrophobicContact CD2-CG2 3.59Å; L36-T182 HydrophobicContact CG-CG2 3.54Å; L36-T182 PolarHBondContact O-N 3.23Å; L36-I347 HydrophobicContact CD2-CD1 3.5Å; L36-F348 HydrophobicContact CD2-CZ 4.3Å
37	G	98.5	Very high	92.7	Very high	9 Å²	9	27.3 Å²	27.3	9%	0.093	15%	0.148	C	C	.	.			trans	103.6	130.6	179.4	0	0	0	0	0	113.4	G39 G42 F59	G37-G39 VanDerWaalsContact C-N 3.34Å; G37-G42 WeakPolarHBondContact O-CA 3.21Å; G37-F59 WeakPolarHBondContact CA-O 3.3Å; G37-F59 PolarHBondContact N-O 3.39Å
38	A	98.5	Very high	94.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.116	C	C	.	.			trans	-100	39.1	174.9	0	0	0	0	0	111.9	L43 V58 E60 P65 G66 V140	A38-L43 HydrophobicContact CB-CD2 4.05Å; A38-V58 HydrophobicContact CB-CG1 4Å; A38-E60 HydrophobicContact CB-CB 3.62Å; A38-E60 HydrophobicContact CB-CG 3.87Å; A38-E60 PolarHBondContact N-OE2 2.92Å; A38-P65 HydrophobicContact CB-CB 4.03Å; A38-P65 WeakPolarHBondContact O-CA 3.37Å; A38-P65 WeakPolarHBondContact O-CB 3.45Å; A38-G66 PolarHBondContact O-N 3.17Å; A38-V140 HydrophobicContact CB-CG1 3.76Å
39	G	98.4	Very high	96.3	Very high	17 Å²	17	21.2 Å²	21.2	18%	0.175	11%	0.11	C	C	.	.	S	Bend	trans	-76	-179.1	164.4	0	0	0	0	0	111.9	G37 A41 G42 L43	G37-G39 VanDerWaalsContact C-N 3.34Å; G39-A41 VanDerWaalsContact C-N 3.3Å; G39-A41 PolarHBondContact O-N 3.26Å; G39-G42 PolarHBondContact O-N 3.18Å; G39-G42 VanDerWaalsContact O-N 3.08Å; G39-L43 PolarHBondContact O-N 3.38Å
40	P	98.8	Very high	97.8	Very high	17 Å²	17	20.4 Å²	20.4	11%	0.11	10%	0.097	C	C	.	.	H	α-helix	trans	-52.6	-43.5	-176.5	-25.8	31.8	0	0	0	114	Q44 F69 L102 L129 I399 F402	P40-Q44 VanDerWaalsContact O-CB 3.24Å; P40-Q44 WeakPolarHBondContact O-CB 3.43Å; P40-Q44 PolarHBondContact O-N 3.15Å; P40-F69 HydrophobicContact CG-CE2 3.81Å; P40-F69 HydrophobicContact CG-CZ 4.43Å; P40-L102 HydrophobicContact CB-CD2 4.01Å; P40-L129 HydrophobicContact CB-CD2 4.29Å; P40-L129 HydrophobicContact CG-CD1 3.94Å; P40-L129 HydrophobicContact CG-CD2 4.2Å; P40-I399 HydrophobicContact CB-CD1 4.09Å; P40-I399 HydrophobicContact CB-CG1 3.93Å; P40-I399 HydrophobicContact CG-CD1 3.91Å; P40-I399 HydrophobicContact CG-CG1 4.14Å; P40-F402 HydrophobicContact CB-CE2 3.97Å; P40-F402 HydrophobicContact CB-CZ 3.95Å
41	A	98.8	Very high	98.3	Very high	5 Å²	5	22.4 Å²	22.4	4%	0.041	11%	0.105	C	C	.	.	H	α-helix	trans	-69.3	-37.3	-179.8	0	0	0	0	0	113.2	G39 M45 A181 L382 G383 F402 V406	G39-A41 VanDerWaalsContact C-N 3.3Å; G39-A41 PolarHBondContact O-N 3.26Å; A41-M45 WeakPolarHBondContact O-CB 3.37Å; A41-M45 PolarHBondContact O-N 2.83Å; A41-A181 HydrophobicContact CB-CB 4.32Å; A41-L382 HydrophobicContact CB-CB 4.26Å; A41-G383 VanDerWaalsContact CB-CA 3.41Å; A41-F402 HydrophobicContact CB-CD2 4.04Å; A41-F402 HydrophobicContact CB-CE2 3.89Å; A41-V406 HydrophobicContact CB-CG2 4.2Å
42	G	98.8	Very high	98.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.9	-45.3	177.4	0	0	0	0	0	111.7	G37 G39 M45 A46	G37-G42 WeakPolarHBondContact O-CA 3.21Å; G39-G42 PolarHBondContact O-N 3.18Å; G39-G42 VanDerWaalsContact O-N 3.08Å; G42-M45 PolarHBondContact O-N 3.5Å; G42-A46 WeakPolarHBondContact O-CB 3.37Å; G42-A46 PolarHBondContact O-N 3.08Å
43	L	98.9	Very high	98.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.3	-39.6	174.5	-65.4	-172.1	0	0	0	112.4	A38 G39 M45 A46 Y47 P65 L102 L129 F132 A133 L138 V140	A38-L43 HydrophobicContact CB-CD2 4.05Å; G39-L43 PolarHBondContact O-N 3.38Å; L43-M45 VanDerWaalsContact C-N 3.31Å; L43-M45 PolarHBondContact O-N 2.94Å; L43-A46 PolarHBondContact O-N 2.72Å; L43-Y47 PolarHBondContact O-N 2.56Å; L43-P65 HydrophobicContact CD1-CB 3.89Å; L43-P65 HydrophobicContact CD2-CB 4.38Å; L43-P65 HydrophobicContact CG-CB 4.49Å; L43-L102 HydrophobicContact CB-CD1 3.99Å; L43-L129 HydrophobicContact CD1-CB 4Å; L43-L129 HydrophobicContact CD1-CD2 4.11Å; L43-L129 WeakPolarHBondContact CD1-O 3.43Å; L43-F132 HydrophobicContact CB-CD1 4.24Å; L43-F132 HydrophobicContact CB-CE1 4.38Å; L43-F132 HydrophobicContact CD1-CD1 4.48Å; L43-A133 HydrophobicContact CD1-CB 4.32Å; L43-A133 HydrophobicContact CD2-CB 4.1Å; L43-L138 HydrophobicContact CB-CD1 4.35Å; L43-L138 HydrophobicContact CD2-CD1 4.16Å; L43-V140 HydrophobicContact CD2-CG2 4.1Å
44	Q	98.9	Very high	98.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-42.1	175.7	-176.7	65.8	80.9	0	0	111.9	P40 F48 L102 L103 R403 V406	P40-Q44 VanDerWaalsContact O-CB 3.24Å; P40-Q44 WeakPolarHBondContact O-CB 3.43Å; P40-Q44 PolarHBondContact O-N 3.15Å; Q44-F48 HydrophobicContact CG-CD2 4.33Å; Q44-F48 HydrophobicContact CG-CE2 3.72Å; Q44-F48 HydrophobicContact CG-CZ 4.45Å; Q44-F48 WeakPolarHBondContact O-CD2 3.27Å; Q44-F48 PolarHBondContact O-N 2.71Å; Q44-L102 HydrophobicContact CB-CD1 4.44Å; Q44-L102 HydrophobicContact CB-CD2 4.17Å; Q44-L103 PolarHBondContact NE2-O 3.44Å; Q44-R403 HydrophobicContact CG-CB 4.38Å; Q44-V406 HydrophobicContact CB-CG1 4.02Å; Q44-V406 HydrophobicContact CG-CB 4.08Å; Q44-V406 HydrophobicContact CG-CG1 3.67Å
45	M	98.9	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-69.5	-44.4	177.1	-178.1	54.6	87.5	0	0	111.5	V35 A41 G42 L43 Y47 F48 L49 L179 L382 V406 V409 H410	V35-M45 HydrophobicContact CG2-CG 4.39Å; A41-M45 WeakPolarHBondContact O-CB 3.37Å; A41-M45 PolarHBondContact O-N 2.83Å; G42-M45 PolarHBondContact O-N 3.5Å; L43-M45 VanDerWaalsContact C-N 3.31Å; L43-M45 PolarHBondContact O-N 2.94Å; M45-Y47 VanDerWaalsContact C-N 3.28Å; M45-Y47 PolarHBondContact O-N 3.14Å; M45-F48 PolarHBondContact O-N 3.15Å; M45-F48 VanDerWaalsContact O-N 3.08Å; M45-L49 HydrophobicContact CG-CD1 3.96Å; M45-L49 HydrophobicContact CG-CG 4.34Å; M45-L49 WeakPolarHBondContact O-CG 3.49Å; M45-L49 PolarHBondContact O-N 2.8Å; M45-L49 HydrophobicContact SD-CD1 4.35Å; M45-L49 HydrophobicContact SD-CG 4.17Å; M45-L179 HydrophobicContact CE-CD2 4.21Å; M45-L179 HydrophobicContact CG-CD1 3.73Å; M45-L179 HydrophobicContact SD-CD1 4.31Å; M45-L382 HydrophobicContact CB-CD1 3.86Å; M45-L382 HydrophobicContact CE-CD1 3.76Å; M45-L382 HydrophobicContact CE-CD2 4.04Å; M45-L382 HydrophobicContact CG-CD1 3.88Å; M45-V406 HydrophobicContact CB-CG1 3.79Å; M45-V406 HydrophobicContact CE-CG1 4.02Å; M45-V406 HydrophobicContact SD-CG1 4.39Å; M45-V409 HydrophobicContact CE-CB 4.02Å; M45-V409 HydrophobicContact CE-CG1 3.76Å; M45-H410 HydrophobicContact CE-CB 4.28Å; M45-H410 HydrophobicContact SD-CB 4.02Å
46	A	98.9	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.5	-42	175.3	0	0	0	0	0	111.9	G42 L43 F48 L49 Q50 Y56 V58 L138	G42-A46 WeakPolarHBondContact O-CB 3.37Å; G42-A46 PolarHBondContact O-N 3.08Å; L43-A46 PolarHBondContact O-N 2.72Å; A46-F48 PolarHBondContact O-N 3.19Å; A46-L49 PolarHBondContact O-N 2.91Å; A46-Q50 VanDerWaalsContact O-CB 3.24Å; A46-Q50 WeakPolarHBondContact O-CB 3.38Å; A46-Q50 PolarHBondContact O-N 2.97Å; A46-Y56 HydrophobicContact CB-CD2 4.41Å; A46-Y56 HydrophobicContact CB-CE2 3.72Å; A46-V58 HydrophobicContact CB-CG2 3.62Å; A46-L138 HydrophobicContact CB-CD1 4.2Å
47	Y	98.9	Very high	98.5	Very high	7 Å²	7	26 Å²	26	3%	0.027	15%	0.145	C	C	.	.	H	α-helix	trans	-56.7	-47.3	173.1	165.4	-107.4	0	0	0	112.6	L43 M45 Q50 R51 L103 H105 F132 L136	L43-Y47 PolarHBondContact O-N 2.56Å; M45-Y47 VanDerWaalsContact C-N 3.28Å; M45-Y47 PolarHBondContact O-N 3.14Å; Y47-Q50 PolarHBondContact O-N 2.54Å; Y47-R51 WeakPolarHBondContact O-CB 3.12Å; Y47-R51 PolarHBondContact O-N 2.9Å; Y47-L103 WeakPolarHBondContact CD1-O 3.5Å; Y47-L103 VanDerWaalsContact CE1-O 3.26Å; Y47-L103 WeakPolarHBondContact CE1-O 3.14Å; Y47-H105 AromaticContact CE2-ND1 3.54Å; Y47-H105 AromaticContact CZ-ND1 3.89Å; Y47-H105 PolarHBondContact OH-N 2.97Å; Y47-H105 PolarHBondContact OH-ND1 3.33Å; Y47-F132 HydrophobicContact CG-CZ 4.32Å; Y47-L136 HydrophobicContact CD2-CD1 3.78Å; Y47-L136 HydrophobicContact CE2-CD1 4.39Å; Y47-L136 HydrophobicContact CG-CD1 4.44Å
48	F	98.9	Very high	98.5	Very high	16 Å²	16	25.5 Å²	25.5	7%	0.07	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-44.4	179.6	-66.9	-51.9	0	0	0	112	Q44 M45 A46 Q50 R51 A52 L103 V406 R407 H410	Q44-F48 HydrophobicContact CG-CD2 4.33Å; Q44-F48 HydrophobicContact CG-CE2 3.72Å; Q44-F48 HydrophobicContact CG-CZ 4.45Å; Q44-F48 WeakPolarHBondContact O-CD2 3.27Å; Q44-F48 PolarHBondContact O-N 2.71Å; M45-F48 PolarHBondContact O-N 3.15Å; M45-F48 VanDerWaalsContact O-N 3.08Å; A46-F48 PolarHBondContact O-N 3.19Å; F48-Q50 PolarHBondContact O-N 2.78Å; F48-R51 PolarHBondContact O-N 2.91Å; F48-A52 WeakPolarHBondContact O-CB 3.23Å; F48-A52 PolarHBondContact O-N 2.92Å; F48-L103 HydrophobicContact CZ-CB 4.27Å; F48-L103 HydrophobicContact CZ-CD1 4.12Å; F48-V406 HydrophobicContact CD2-CG1 4.14Å; F48-V406 HydrophobicContact CE2-CG1 4.2Å; F48-R407 HydrophobicContact CE1-CG 4.34Å; F48-R407 HydrophobicContact CE2-CB 3.64Å; F48-R407 HydrophobicContact CE2-CG 4.25Å; F48-R407 HydrophobicContact CZ-CB 3.67Å; F48-R407 HydrophobicContact CZ-CG 3.9Å; F48-H410 HydrophobicContact CB-CB 4.08Å; F48-H410 VanDerWaalsContact CB-CD2 3.45Å; F48-H410 WeakPolarHBondContact CB-CD2 3.47Å; F48-H410 HydrophobicContact CD2-CB 4.26Å; F48-H410 HydrophobicContact CG-CB 4.37Å; F48-H410 PolarHBondContact O-NE2 3.05Å
49	L	98.8	Very high	98.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-42.6	176	-66.8	172.2	0	0	0	111.9	Y33 V35 M45 A46 A52 G53 R54 Y56 L179	Y33-L49 HydrophobicContact CD1-CD2 4.2Å; Y33-L49 HydrophobicContact CD2-CD2 3.9Å; Y33-L49 HydrophobicContact CE1-CD2 4.35Å; Y33-L49 HydrophobicContact CE2-CD2 4.05Å; Y33-L49 HydrophobicContact CG-CD1 4.2Å; Y33-L49 HydrophobicContact CG-CD2 3.99Å; V35-L49 HydrophobicContact CG2-CD1 4.07Å; M45-L49 HydrophobicContact CG-CD1 3.96Å; M45-L49 HydrophobicContact CG-CG 4.34Å; M45-L49 WeakPolarHBondContact O-CG 3.49Å; M45-L49 PolarHBondContact O-N 2.8Å; M45-L49 HydrophobicContact SD-CD1 4.35Å; M45-L49 HydrophobicContact SD-CG 4.17Å; A46-L49 PolarHBondContact O-N 2.91Å; L49-A52 CarbonylContact O-C 3.51Å; L49-A52 PolarHBondContact O-N 3.14Å; L49-G53 PolarHBondContact O-N 3.08Å; L49-G53 VanDerWaalsContact O-N 3.16Å; L49-R54 HydrophobicContact CB-CB 4.26Å; L49-R54 HydrophobicContact CD2-CB 4.05Å; L49-R54 HydrophobicContact CD2-CG 4.11Å; L49-R54 PolarHBondContact O-N 3.49Å; L49-Y56 HydrophobicContact CB-CD1 3.59Å; L49-Y56 HydrophobicContact CB-CE1 4.07Å; L49-Y56 HydrophobicContact CB-CG 3.97Å; L49-Y56 HydrophobicContact CD1-CD1 4.48Å; L49-Y56 HydrophobicContact CD1-CD2 4.45Å; L49-Y56 HydrophobicContact CD1-CG 4.01Å; L49-L179 HydrophobicContact CD1-CD1 3.85Å
50	Q	98.5	Very high	98.5	Very high	76 Å²	76	25.5 Å²	25.5	36%	0.355	14%	0.136	S	C	.	.	H	α-helix	trans	-62.4	-47.8	175.9	-172.7	70.1	20.2	0	0	111.3	A46 Y47 F48 A52 G53 Y56 L138	A46-Q50 VanDerWaalsContact O-CB 3.24Å; A46-Q50 WeakPolarHBondContact O-CB 3.38Å; A46-Q50 PolarHBondContact O-N 2.97Å; Y47-Q50 PolarHBondContact O-N 2.54Å; F48-Q50 PolarHBondContact O-N 2.78Å; Q50-A52 PolarHBondContact O-N 2.81Å; Q50-G53 PolarHBondContact O-N 3.4Å; Q50-Y56 HydrophobicContact CB-CE1 3.87Å; Q50-Y56 VanDerWaalsContact OE1-CZ 3.31Å; Q50-Y56 PolarHBondContact OE1-OH 2.81Å; Q50-L138 HydrophobicContact CB-CD2 4.15Å; Q50-L138 HydrophobicContact CG-CD2 4.39Å
51	R	98.2	Very high	98.5	Very high	174 Å²	174	32.1 Å²	32.1	66%	0.657	16%	0.159	S	C	*	.	H	α-helix	trans	-63.2	-31.8	179.9	-168.8	-178.4	-175.8	-172.1	2.6	112.2	Y47 F48 G53	Y47-R51 WeakPolarHBondContact O-CB 3.12Å; Y47-R51 PolarHBondContact O-N 2.9Å; F48-R51 PolarHBondContact O-N 2.91Å; R51-G53 VanDerWaalsContact C-N 3.31Å
52	A	98.2	Very high	98.5	Very high	32 Å²	32	32.7 Å²	32.7	26%	0.264	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	2.6	175.2	0	0	0	0	0	113.7	F48 L49 Q50 R54	F48-A52 WeakPolarHBondContact O-CB 3.23Å; F48-A52 PolarHBondContact O-N 2.92Å; L49-A52 CarbonylContact O-C 3.51Å; L49-A52 PolarHBondContact O-N 3.14Å; Q50-A52 PolarHBondContact O-N 2.81Å; A52-R54 VanDerWaalsContact C-N 3.29Å; A52-R54 HydrophobicContact CB-CG 3.9Å; A52-R54 PolarHBondContact O-N 2.79Å
53	G	97.8	Very high	98.4	Very high	67 Å²	67	37.1 Å²	37.1	69%	0.691	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.5	27.4	178.8	0	0	0	0	0	114.1	L49 Q50 R51	L49-G53 PolarHBondContact O-N 3.08Å; L49-G53 VanDerWaalsContact O-N 3.16Å; Q50-G53 PolarHBondContact O-N 3.4Å; R51-G53 VanDerWaalsContact C-N 3.31Å
54	R	97.8	Very high	98.3	Very high	51 Å²	51	42.8 Å²	42.8	19%	0.192	21%	0.214	C	C	.	.			trans	-80.7	152.3	-177.4	-54.1	-50.3	-179.6	-164.6	-5.5	111.8	Y33 L49 A52 Y56 R139 E414 H418	Y33-R54 HydrophobicContact CD2-CB 4.11Å; Y33-R54 HydrophobicContact CE2-CB 4.02Å; Y33-R54 HydrophobicContact CE2-CG 4.32Å; L49-R54 HydrophobicContact CB-CB 4.26Å; L49-R54 HydrophobicContact CD2-CB 4.05Å; L49-R54 HydrophobicContact CD2-CG 4.11Å; L49-R54 PolarHBondContact O-N 3.49Å; A52-R54 VanDerWaalsContact C-N 3.29Å; A52-R54 HydrophobicContact CB-CG 3.9Å; A52-R54 PolarHBondContact O-N 2.79Å; R54-Y56 WeakPolarHBondContact O-CD1 3.35Å; R54-Y56 PolarHBondContact O-N 3.16Å; R54-R139 PolarHBondContact O-NH2 3.09Å; R54-E414 IonicContact CZ-OE1 3.92Å; R54-E414 IonicContact CZ-OE2 3.23Å; R54-E414 IonicContact NE-OE1 3.46Å; R54-E414 PolarHBondContact NE-OE1 3.34Å; R54-E414 IonicContact NE-OE2 3.61Å; R54-E414 IonicContact NH2-OE1 2.83Å; R54-E414 PolarHBondContact NH2-OE1 2.92Å; R54-E414 IonicContact NH2-OE2 3.82Å; R54-E414 PolarHBondContact NH2-OE2 2.65Å; R54-H418 WeakPolarHBondContact CD-NE2 3.47Å; R54-H418 VanDerWaalsContact CZ-CD2 3.49Å; R54-H418 PolarHBondContact NE-CD2 3.46Å; R54-H418 VanDerWaalsContact NE-CD2 3.27Å
55	D	97.4	Very high	98.3	Very high	47 Å²	47	43.1 Å²	43.1	25%	0.251	22%	0.216	S	C	.	.			trans	-84	107.9	175.3	-171.3	29.8	0	0	0	111.7	R31 D32 Y33 R139	R31-D55 WeakPolarHBondContact CA-OD2 3.5Å; R31-D55 VanDerWaalsContact CD-CG 3.45Å; R31-D55 VanDerWaalsContact CD-OD1 3.24Å; R31-D55 WeakPolarHBondContact CD-OD1 3.34Å; R31-D55 WeakPolarHBondContact CD-OD2 3.47Å; R31-D55 IonicContact CZ-OD1 3.94Å; R31-D55 IonicContact NE-OD1 3.38Å; R31-D55 IonicContact NH1-OD1 2.7Å; R31-D55 PolarHBondContact NH1-OD1 3.06Å; R31-D55 IonicContact NH1-OD2 3.02Å; D32-D55 HydrophobicContact CB-CB 4.45Å; D32-D55 WeakPolarHBondContact CB-O 3.29Å; D32-D55 PolarHBondContact N-O 3.23Å; Y33-D55 PolarHBondContact N-O 3.3Å; D55-R139 IonicContact OD1-CZ 3.93Å; D55-R139 IonicContact OD1-NH1 3.98Å; D55-R139 PolarHBondContact OD1-NH1 3.47Å; D55-R139 IonicContact OD1-NH2 2.68Å
56	Y	98.5	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	162.4	-176.1	78.1	-85.9	0	0	0	112.7	Y33 A46 L49 Q50 R54 V58 R139	Y33-Y56 WeakPolarHBondContact O-CA 3.3Å; A46-Y56 HydrophobicContact CB-CD2 4.41Å; A46-Y56 HydrophobicContact CB-CE2 3.72Å; L49-Y56 HydrophobicContact CB-CD1 3.59Å; L49-Y56 HydrophobicContact CB-CE1 4.07Å; L49-Y56 HydrophobicContact CB-CG 3.97Å; L49-Y56 HydrophobicContact CD1-CD1 4.48Å; L49-Y56 HydrophobicContact CD1-CD2 4.45Å; L49-Y56 HydrophobicContact CD1-CG 4.01Å; Q50-Y56 HydrophobicContact CB-CE1 3.87Å; Q50-Y56 VanDerWaalsContact OE1-CZ 3.31Å; Q50-Y56 PolarHBondContact OE1-OH 2.81Å; R54-Y56 WeakPolarHBondContact O-CD1 3.35Å; R54-Y56 PolarHBondContact O-N 3.16Å; Y56-V58 HydrophobicContact CD2-CG2 4.09Å; Y56-V58 HydrophobicContact CE2-CG2 3.94Å; Y56-R139 HydrophobicContact CE2-CB 3.93Å; Y56-R139 PolarHBondContact O-NE 3.35Å; Y56-R139 PolarHBondContact O-NH1 2.94Å; Y56-R139 PolarHBondContact O-NH2 3.41Å; Y56-R139 PolarHBondContact OH-N 2.93Å; Y56-R139 VanDerWaalsContact OH-N 3.08Å
57	E	98.6	Very high	98.1	Very high	27 Å²	27	44.3 Å²	44.3	13%	0.126	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	139	168	-163.8	68.9	-125.9	0	0	109.1	R31 Y33 V35 F59 Q141	R31-E57 IonicContact CZ-OE2 3.54Å; R31-E57 IonicContact NE-OE2 3.38Å; R31-E57 IonicContact NH2-OE2 2.76Å; R31-E57 PolarHBondContact NH2-OE2 3.18Å; Y33-E57 PolarHBondContact O-N 2.89Å; Y33-E57 VanDerWaalsContact O-N 3.12Å; V35-E57 PolarHBondContact N-O 3.42Å; E57-F59 HydrophobicContact CB-CE2 4.17Å; E57-F59 HydrophobicContact CB-CZ 3.99Å; E57-F59 HydrophobicContact CG-CE1 3.95Å; E57-F59 HydrophobicContact CG-CE2 4.34Å; E57-F59 HydrophobicContact CG-CZ 3.82Å; E57-Q141 HydrophobicContact CG-CB 4.42Å
58	V	98.8	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.4	172.1	-174.4	0	0	0	0	109.2	V35 A38 A46 Y56 R139 V140 Q141	V35-V58 HydrophobicContact CB-CB 4.28Å; V35-V58 HydrophobicContact CB-CG1 4.22Å; V35-V58 HydrophobicContact CB-CG2 3.92Å; V35-V58 HydrophobicContact CG1-CG1 4.2Å; V35-V58 HydrophobicContact CG1-CG2 4.36Å; V35-V58 HydrophobicContact CG2-CG2 4.3Å; V35-V58 CarbonylContact O-C 3.57Å; V35-V58 WeakPolarHBondContact O-CA 3.48Å; A38-V58 HydrophobicContact CB-CG1 4Å; A46-V58 HydrophobicContact CB-CG2 3.62Å; Y56-V58 HydrophobicContact CD2-CG2 4.09Å; Y56-V58 HydrophobicContact CE2-CG2 3.94Å; V58-R139 WeakPolarHBondContact CB-O 3.08Å; V58-R139 WeakPolarHBondContact CG2-O 3.2Å; V58-R139 PolarHBondContact N-O 2.89Å; V58-R139 VanDerWaalsContact N-O 3.07Å; V58-V140 HydrophobicContact CB-CB 4.32Å; V58-V140 HydrophobicContact CB-CG1 4.14Å; V58-V140 HydrophobicContact CB-CG2 4.07Å; V58-V140 HydrophobicContact CG1-CG1 4.14Å; V58-V140 HydrophobicContact CG1-CG2 4.46Å; V58-V140 HydrophobicContact CG2-CG2 4.3Å; V58-Q141 PolarHBondContact O-N 3.23Å
59	F	98.6	Very high	97.9	Very high	5 Å²	5	49 Å²	49	2%	0.022	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.4	176.4	-58.4	-77.2	0	0	0	110.6	C34 V35 L36 G37 E57 Q141 T144 I146 L165 H173	C34-F59 HydrophobicContact CB-CD2 4.41Å; C34-F59 HydrophobicContact CB-CE2 3.96Å; V35-F59 PolarHBondContact O-N 2.94Å; L36-F59 HydrophobicContact CD1-CB 4.34Å; G37-F59 WeakPolarHBondContact CA-O 3.3Å; G37-F59 PolarHBondContact N-O 3.39Å; E57-F59 HydrophobicContact CB-CE2 4.17Å; E57-F59 HydrophobicContact CB-CZ 3.99Å; E57-F59 HydrophobicContact CG-CE1 3.95Å; E57-F59 HydrophobicContact CG-CE2 4.34Å; E57-F59 HydrophobicContact CG-CZ 3.82Å; F59-Q141 HydrophobicContact CD1-CB 4.25Å; F59-T144 HydrophobicContact CD1-CG2 3.76Å; F59-I146 HydrophobicContact CB-CD1 4.23Å; F59-I146 HydrophobicContact CB-CG1 3.9Å; F59-I146 HydrophobicContact CD1-CD1 4.16Å; F59-I146 HydrophobicContact CG-CD1 4.05Å; F59-I146 HydrophobicContact CG-CG1 4.15Å; F59-L165 HydrophobicContact CD2-CD2 4.07Å; F59-L165 HydrophobicContact CE2-CD2 4.18Å; F59-H173 HydrophobicContact CE1-CB 4.37Å; F59-H173 AromaticContact CE1-CD2 3.9Å; F59-H173 AromaticContact CE1-CE1 3.72Å; F59-H173 AromaticContact CE1-CG 3.71Å; F59-H173 AromaticContact CE1-ND1 3.6Å; F59-H173 AromaticContact CE1-NE2 3.91Å; F59-H173 HydrophobicContact CE2-CB 4.41Å; F59-H173 HydrophobicContact CZ-CB 3.74Å; F59-H173 AromaticContact CZ-CG 3.58Å; F59-H173 AromaticContact CZ-ND1 3.68Å
60	E	98.6	Very high	97.8	Very high	11 Å²	11	52.6 Å²	52.6	5%	0.051	27%	0.267	C	S	.	.			trans	-125.6	126.7	177.9	174	53.9	-128.6	0	0	110.9	A38 A62 S67 V140 Q141 Y142 N143 T144	A38-E60 HydrophobicContact CB-CB 3.62Å; A38-E60 HydrophobicContact CB-CG 3.87Å; A38-E60 PolarHBondContact N-OE2 2.92Å; E60-A62 VanDerWaalsContact C-N 3.31Å; E60-A62 HydrophobicContact CG-CB 4.22Å; E60-A62 PolarHBondContact O-N 2.81Å; E60-A62 VanDerWaalsContact OE1-CB 3.24Å; E60-A62 WeakPolarHBondContact OE1-CB 3.04Å; E60-A62 PolarHBondContact OE1-N 2.78Å; E60-S67 PolarHBondContact OE1-OG 3.41Å; E60-V140 HydrophobicContact CB-CG1 4.12Å; E60-Q141 PolarHBondContact N-O 3.19Å; E60-Y142 HydrophobicContact CB-CD1 3.96Å; E60-Y142 HydrophobicContact CB-CE1 4.38Å; E60-Y142 HydrophobicContact CG-CD1 3.93Å; E60-Y142 HydrophobicContact CG-CE1 4.33Å; E60-Y142 CarbonylContact O-C 3.56Å; E60-Y142 VanDerWaalsContact O-C 3.29Å; E60-Y142 WeakPolarHBondContact O-CA 3.26Å; E60-N143 PolarHBondContact O-N 3.38Å; E60-T144 CarbonylContact C-O 3.55Å; E60-T144 VanDerWaalsContact C-O 3.31Å; E60-T144 PolarHBondContact O-N 2.88Å
61	R	97.6	Very high	97.7	Very high	157 Å²	157	54.9 Å²	54.9	59%	0.592	27%	0.273	S	S	*	.	S	Bend	trans	-66.4	-33.2	-179.7	61.9	175.8	175	178.4	-2.8	113	N143 T144 T145	R61-N143 WeakPolarHBondContact O-CA 3.48Å; R61-T144 PolarHBondContact N-O 2.7Å; R61-T145 HydrophobicContact CB-CG2 4.43Å; R61-T145 VanDerWaalsContact CB-OG1 3.28Å; R61-T145 WeakPolarHBondContact CB-OG1 3.33Å
62	A	98.1	Very high	97.6	Very high	17 Å²	17	47.7 Å²	47.7	14%	0.14	25%	0.246	C	C	.	.	S	Bend	trans	-83.8	163.3	-178.7	0	0	0	0	0	111.8	E60 R64 Y142 N143	E60-A62 VanDerWaalsContact C-N 3.31Å; E60-A62 HydrophobicContact CG-CB 4.22Å; E60-A62 PolarHBondContact O-N 2.81Å; E60-A62 VanDerWaalsContact OE1-CB 3.24Å; E60-A62 WeakPolarHBondContact OE1-CB 3.04Å; E60-A62 PolarHBondContact OE1-N 2.78Å; A62-R64 PolarHBondContact O-N 3.47Å; A62-R64 VanDerWaalsContact O-N 3.17Å; A62-Y142 WeakPolarHBondContact O-CB 3.39Å; A62-N143 PolarHBondContact O-N 2.98Å; A62-N143 VanDerWaalsContact O-N 3.1Å
63	P	97.8	Very high	97.5	Very high	93 Å²	93	47.2 Å²	47.2	60%	0.604	24%	0.24	S	C	*	.	S	Bend	trans	-73.2	1.9	174.7	29	-36.7	0	0	0	114	N143	P63-N143 WeakPolarHBondContact CA-OD1 3.47Å; P63-N143 WeakPolarHBondContact CB-OD1 3.38Å
64	R	97.6	Very high	97.4	Very high	119 Å²	119	45.5 Å²	45.5	45%	0.449	21%	0.212	S	C	.	.	S	Bend	trans	-155.1	155.3	-175.3	72.4	-173.9	-52.6	165	9.7	111.8	A62 V126	A62-R64 PolarHBondContact O-N 3.47Å; A62-R64 VanDerWaalsContact O-N 3.17Å; R64-V126 VanDerWaalsContact CZ-CG1 3.45Å
65	P	98.1	Very high	97.3	Very high	6 Å²	6	44.9 Å²	44.9	4%	0.039	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	165.2	176.7	31.6	-32.8	0	0	0	111.4	A38 L43 S67 L129 A133 Y142	A38-P65 HydrophobicContact CB-CB 4.03Å; A38-P65 WeakPolarHBondContact O-CA 3.37Å; A38-P65 WeakPolarHBondContact O-CB 3.45Å; L43-P65 HydrophobicContact CD1-CB 3.89Å; L43-P65 HydrophobicContact CD2-CB 4.38Å; L43-P65 HydrophobicContact CG-CB 4.49Å; P65-S67 PolarHBondContact O-N 3.35Å; P65-S67 VanDerWaalsContact O-N 3.17Å; P65-L129 WeakPolarHBondContact CG-O 3.41Å; P65-A133 HydrophobicContact CG-CB 4.29Å; P65-Y142 HydrophobicContact CB-CE1 4.3Å; P65-Y142 WeakPolarHBondContact CD-OH 3.4Å; P65-Y142 HydrophobicContact CG-CE1 4.41Å
66	G	97	Very high	97.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	23.4	176.5	0	0	0	0	0	113.9	A38 F68 F69	A38-G66 PolarHBondContact O-N 3.17Å; G66-F68 PolarHBondContact O-N 3.13Å; G66-F69 WeakPolarHBondContact O-CB 3.48Å; G66-F69 PolarHBondContact O-N 3.2Å
67	S	96.4	Very high	97.1	Very high	25 Å²	25	50 Å²	50	18%	0.175	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.6	-173.5	63.7	0	0	0	0	113.9	E60 P65 F69 T70	E60-S67 PolarHBondContact OE1-OG 3.41Å; P65-S67 PolarHBondContact O-N 3.35Å; P65-S67 VanDerWaalsContact O-N 3.17Å; S67-F69 PolarHBondContact O-N 3.35Å; S67-T70 PolarHBondContact O-N 3.3Å; S67-T70 VanDerWaalsContact O-N 3.1Å; S67-T70 PolarHBondContact O-OG1 3.33Å
68	F	96.2	Very high	97	Very high	93 Å²	93	49 Å²	49	41%	0.408	23%	0.226	S	C	.	.	H	α-helix	trans	-52.8	-41.1	171.1	-177.8	-94	0	0	0	112.4	G66 T70 R71 Y72	G66-F68 PolarHBondContact O-N 3.13Å; F68-T70 PolarHBondContact O-N 2.73Å; F68-R71 PolarHBondContact O-N 2.89Å; F68-Y72 AromaticContact CD2-CD2 3.77Å; F68-Y72 HydrophobicContact CD2-CD2 3.77Å; F68-Y72 HydrophobicContact CD2-CE2 4.5Å; F68-Y72 VanDerWaalsContact CE1-CB 3.48Å; F68-Y72 HydrophobicContact CE1-CD2 4.29Å; F68-Y72 HydrophobicContact CE1-CG 4.25Å; F68-Y72 AromaticContact CE2-CD2 3.45Å; F68-Y72 HydrophobicContact CE2-CD2 3.45Å; F68-Y72 VanDerWaalsContact CE2-CD2 3.45Å; F68-Y72 HydrophobicContact CE2-CE2 4.17Å; F68-Y72 HydrophobicContact CE2-CG 4.06Å; F68-Y72 HydrophobicContact CG-CD2 4.31Å; F68-Y72 AromaticContact CZ-CD2 3.74Å; F68-Y72 HydrophobicContact CZ-CD2 3.74Å; F68-Y72 AromaticContact CZ-CG 3.85Å; F68-Y72 HydrophobicContact CZ-CG 3.85Å; F68-Y72 PolarHBondContact O-N 3Å
69	F	97.6	Very high	96.9	Very high	29 Å²	29	51 Å²	51	13%	0.127	24%	0.236	C	C	.	.	H	α-helix	trans	-76.7	-4.9	-176.8	-63.4	-75.4	0	0	0	114	P40 G66 S67 R71 Y72 R76 L78 M125 V126 L129	P40-F69 HydrophobicContact CG-CE2 3.81Å; P40-F69 HydrophobicContact CG-CZ 4.43Å; G66-F69 WeakPolarHBondContact O-CB 3.48Å; G66-F69 PolarHBondContact O-N 3.2Å; S67-F69 PolarHBondContact O-N 3.35Å; F69-R71 VanDerWaalsContact C-N 3.3Å; F69-Y72 VanDerWaalsContact CA-O 3.29Å; F69-Y72 WeakPolarHBondContact CA-O 3.46Å; F69-R76 VanDerWaalsContact O-CZ 3.22Å; F69-R76 PolarHBondContact O-NH1 3.09Å; F69-R76 PolarHBondContact O-NH2 2.82Å; F69-L78 HydrophobicContact CD1-CD2 4.09Å; F69-L78 HydrophobicContact CE1-CD2 4.13Å; F69-M125 HydrophobicContact CB-CB 4.3Å; F69-M125 HydrophobicContact CB-CG 4.28Å; F69-M125 HydrophobicContact CD1-CB 4.31Å; F69-M125 HydrophobicContact CD1-CG 3.97Å; F69-M125 HydrophobicContact CD2-CB 4.4Å; F69-M125 HydrophobicContact CD2-CG 3.5Å; F69-M125 HydrophobicContact CE1-CG 4.13Å; F69-M125 HydrophobicContact CE2-CG 3.68Å; F69-M125 HydrophobicContact CG-CB 4.09Å; F69-M125 HydrophobicContact CG-CG 3.65Å; F69-M125 HydrophobicContact CZ-CG 3.99Å; F69-V126 HydrophobicContact CB-CG2 3.69Å; F69-L129 HydrophobicContact CD2-CD1 3.94Å; F69-L129 HydrophobicContact CE2-CD1 4.08Å
70	T	96.7	Very high	96.7	Very high	74 Å²	74	51.8 Å²	51.8	45%	0.454	24%	0.242	S	C	.	.	H	α-helix	trans	-74.6	-25.5	171.1	68.6	0	0	0	0	111.7	S67 F68 R76 V126	S67-T70 PolarHBondContact O-N 3.3Å; S67-T70 VanDerWaalsContact O-N 3.1Å; S67-T70 PolarHBondContact O-OG1 3.33Å; F68-T70 PolarHBondContact O-N 2.73Å; T70-R76 PolarHBondContact O-NH1 2.94Å; T70-R76 VanDerWaalsContact O-NH1 3.07Å; T70-V126 HydrophobicContact CG2-CG1 4.25Å; T70-V126 HydrophobicContact CG2-CG2 3.96Å
71	R	95.9	Very high	96.6	Very high	125 Å²	125	51.8 Å²	51.8	47%	0.472	24%	0.242	S	C	.	.	H	α-helix	trans	-110.8	-39.6	179.4	-171.6	174.6	-173.2	156	6	113.1	F68 F69 P73 R74 E202	F68-R71 PolarHBondContact O-N 2.89Å; F69-R71 VanDerWaalsContact C-N 3.3Å; R71-P73 CarbonylContact O-C 3.52Å; R71-R74 WeakPolarHBondContact O-CA 3.43Å; R71-E202 PolarHBondContact NE-O 2.87Å; R71-E202 PolarHBondContact NH2-O 3.42Å
72	Y	96.5	Very high	96.5	Very high	22 Å²	22	44.5 Å²	44.5	9%	0.086	22%	0.215	C	C	.	.			trans	-112.7	153.2	-173.4	-59.4	-67.1	0	0	0	112.7	F68 F69 R74 Y201 E202 W341	F68-Y72 AromaticContact CD2-CD2 3.77Å; F68-Y72 HydrophobicContact CD2-CD2 3.77Å; F68-Y72 HydrophobicContact CD2-CE2 4.5Å; F68-Y72 VanDerWaalsContact CE1-CB 3.48Å; F68-Y72 HydrophobicContact CE1-CD2 4.29Å; F68-Y72 HydrophobicContact CE1-CG 4.25Å; F68-Y72 AromaticContact CE2-CD2 3.45Å; F68-Y72 HydrophobicContact CE2-CD2 3.45Å; F68-Y72 VanDerWaalsContact CE2-CD2 3.45Å; F68-Y72 HydrophobicContact CE2-CE2 4.17Å; F68-Y72 HydrophobicContact CE2-CG 4.06Å; F68-Y72 HydrophobicContact CG-CD2 4.31Å; F68-Y72 AromaticContact CZ-CD2 3.74Å; F68-Y72 HydrophobicContact CZ-CD2 3.74Å; F68-Y72 AromaticContact CZ-CG 3.85Å; F68-Y72 HydrophobicContact CZ-CG 3.85Å; F68-Y72 PolarHBondContact O-N 3Å; F69-Y72 VanDerWaalsContact CA-O 3.29Å; F69-Y72 WeakPolarHBondContact CA-O 3.46Å; Y72-R74 HydrophobicContact CD1-CG 3.94Å; Y72-R74 HydrophobicContact CE1-CG 3.93Å; Y72-Y201 AromaticContact CD1-CE1 3.53Å; Y72-Y201 HydrophobicContact CD1-CE1 3.53Å; Y72-Y201 HydrophobicContact CE1-CD1 4.08Å; Y72-Y201 AromaticContact CE1-CE1 3.51Å; Y72-Y201 HydrophobicContact CE1-CE1 3.51Å; Y72-E202 WeakPolarHBondContact OH-CA 3.36Å; Y72-E202 WeakPolarHBondContact OH-CB 3.48Å; Y72-W341 HydrophobicContact CD1-CZ2 4.4Å; Y72-W341 HydrophobicContact CE1-CH2 4.07Å; Y72-W341 AromaticContact CE1-CZ2 3.78Å; Y72-W341 HydrophobicContact CE1-CZ2 3.78Å; Y72-W341 HydrophobicContact CE2-CH2 4.02Å; Y72-W341 HydrophobicContact CE2-CZ2 4.22Å; Y72-W341 AromaticContact CZ-CH2 3.52Å; Y72-W341 AromaticContact CZ-CZ2 3.69Å; Y72-W341 VanDerWaalsContact OH-CH2 3.28Å; Y72-W341 WeakPolarHBondContact OH-CH2 3.48Å
73	P	96.3	Very high	96.3	Very high	22 Å²	22	48 Å²	48	14%	0.143	23%	0.227	C	C	.	.	S	Bend	cis	-50.9	147.5	-20.3	19.2	-29.6	0	0	0	111.8	R71 H75 R76 K77 L78 A122 E227	R71-P73 CarbonylContact O-C 3.52Å; P73-H75 PolarHBondContact O-N 3.28Å; P73-R76 WeakPolarHBondContact O-CA 3.33Å; P73-R76 PolarHBondContact O-N 2.81Å; P73-K77 WeakPolarHBondContact CG-O 3.23Å; P73-L78 HydrophobicContact CG-CD2 4.05Å; P73-A122 HydrophobicContact CG-CB 4.48Å; P73-E227 WeakPolarHBondContact CB-OE2 3.33Å
74	R	96.1	Very high	96.2	Very high	31 Å²	31	46.4 Å²	46.4	12%	0.117	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-35.5	-173.3	-73.3	-62.5	-58.7	-82.7	3.8	111.7	R71 Y72 R76 Y201 E202 V204 I206	R71-R74 WeakPolarHBondContact O-CA 3.43Å; Y72-R74 HydrophobicContact CD1-CG 3.94Å; Y72-R74 HydrophobicContact CE1-CG 3.93Å; R74-R76 VanDerWaalsContact C-N 3.25Å; R74-R76 PolarHBondContact O-N 3.06Å; R74-Y201 HydrophobicContact CB-CE2 3.97Å; R74-Y201 HydrophobicContact CG-CD2 4.22Å; R74-Y201 HydrophobicContact CG-CE1 3.93Å; R74-Y201 HydrophobicContact CG-CE2 3.59Å; R74-Y201 VanDerWaalsContact CG-CZ 3.41Å; R74-Y201 PolarHBondContact N-OH 3.49Å; R74-Y201 VanDerWaalsContact N-OH 3.1Å; R74-Y201 PolarHBondContact NH1-O 3.03Å; R74-E202 PolarHBondContact NH1-O 3.5Å; R74-V204 PolarHBondContact NH1-O 2.81Å; R74-V204 VanDerWaalsContact NH1-O 3.11Å; R74-V204 PolarHBondContact NH2-O 3.31Å; R74-I206 HydrophobicContact CB-CG2 3.96Å
75	H	94.2	Very high	96	Very high	38 Å²	38	48.5 Å²	48.5	18%	0.176	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	17.5	177.3	-50.7	-73.1	0	0	0	112.8	P73 K77 E227 T228 N231	P73-H75 PolarHBondContact O-N 3.28Å; H75-K77 PolarHBondContact O-N 2.8Å; H75-E227 PolarHBondContact CD2-O 3Å; H75-E227 IonicContact CD2-OE2 2.94Å; H75-E227 PolarHBondContact CD2-OE2 2.92Å; H75-T228 WeakPolarHBondContact NE2-CA 3.27Å; H75-N231 WeakPolarHBondContact CE1-CB 3.17Å; H75-N231 PolarHBondContact CE1-ND2 3.22Å; H75-N231 VanDerWaalsContact ND1-CB 3.32Å; H75-N231 WeakPolarHBondContact ND1-CB 3.3Å; H75-N231 PolarHBondContact ND1-OD1 2.97Å
76	R	95.8	Very high	95.8	Very high	54 Å²	54	50 Å²	50	20%	0.204	23%	0.227	C	C	.	.	S	Bend	trans	61.8	-0.9	169.9	-46.3	-57.1	-61.6	151.2	1.3	116.2	F69 T70 P73 R74 D121 A122	F69-R76 VanDerWaalsContact O-CZ 3.22Å; F69-R76 PolarHBondContact O-NH1 3.09Å; F69-R76 PolarHBondContact O-NH2 2.82Å; T70-R76 PolarHBondContact O-NH1 2.94Å; T70-R76 VanDerWaalsContact O-NH1 3.07Å; P73-R76 WeakPolarHBondContact O-CA 3.33Å; P73-R76 PolarHBondContact O-N 2.81Å; R74-R76 VanDerWaalsContact C-N 3.25Å; R74-R76 PolarHBondContact O-N 3.06Å; R76-D121 CarbonylContact O-C 3.57Å; R76-D121 VanDerWaalsContact O-CA 3.32Å; R76-D121 WeakPolarHBondContact O-CA 3.45Å; R76-A122 WeakPolarHBondContact O-CB 3.26Å; R76-A122 PolarHBondContact O-N 3.27Å
77	K	96.1	Very high	95.6	Very high	102 Å²	102	54 Å²	54	44%	0.443	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-96.7	116.8	-179.5	-163.9	-176.5	-164.7	-169.5	0	111.7	P73 H75 I262	P73-K77 WeakPolarHBondContact CG-O 3.23Å; H75-K77 PolarHBondContact O-N 2.8Å; K77-I262 HydrophobicContact CD-CD1 3.64Å; K77-I262 HydrophobicContact CD-CG1 4.18Å; K77-I262 HydrophobicContact CG-CD1 4.05Å
78	L	96.9	Very high	95.4	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.031	28%	0.278	C	S	.	.			trans	-71	144.6	177.7	-59.8	-176.2	0	0	0	111.5	F69 P73 P120 A122 M125	F69-L78 HydrophobicContact CD1-CD2 4.09Å; F69-L78 HydrophobicContact CE1-CD2 4.13Å; P73-L78 HydrophobicContact CG-CD2 4.05Å; L78-P120 WeakPolarHBondContact CB-O 3.29Å; L78-P120 HydrophobicContact CD1-CB 4.11Å; L78-P120 HydrophobicContact CD1-CG 4.48Å; L78-P120 WeakPolarHBondContact CG-O 3.48Å; L78-P120 PolarHBondContact N-O 3.04Å; L78-A122 HydrophobicContact CD2-CB 3.93Å; L78-A122 HydrophobicContact CG-CB 4.48Å; L78-M125 HydrophobicContact CD1-CB 4.29Å; L78-M125 HydrophobicContact CD1-CE 3.93Å
79	I	95.9	Very high	95.3	Very high	42 Å²	42	57.8 Å²	57.8	22%	0.215	30%	0.301	C	S	.	.	S	Bend	trans	-88.6	-7.1	173.3	64.7	174.1	0	0	0	113.4	N223 R260 I262	I79-N223 HydrophobicContact CD1-CB 4.21Å; I79-R260 HydrophobicContact CB-CB 4.33Å; I79-R260 HydrophobicContact CB-CG 4.03Å; I79-R260 HydrophobicContact CD1-CG 4.09Å; I79-R260 HydrophobicContact CG1-CG 4.48Å; I79-R260 HydrophobicContact CG2-CB 4.43Å; I79-R260 PolarHBondContact O-NE 3.43Å; I79-R260 PolarHBondContact O-NH2 3.19Å; I79-I262 HydrophobicContact CG2-CG2 4.08Å
80	S	95.6	Very high	95.2	Very high	21 Å²	21	58.7 Å²	58.7	15%	0.147	31%	0.307	C	S	.	.	S	Bend	trans	-81.9	138.7	176.1	46.3	0	0	0	0	111.2	N100 P120	S80-N100 WeakPolarHBondContact CB-OD1 3.36Å; S80-N100 PolarHBondContact OG-OD1 2.9Å; S80-P120 VanDerWaalsContact O-CD 3.31Å; S80-P120 WeakPolarHBondContact O-CD 3.32Å
81	I	95.4	Very high	95.1	Very high	11 Å²	11	58.5 Å²	58.5	6%	0.056	31%	0.313	C	S	.	.			trans	-84.7	151	-177.4	69	174	0	0	0	112.2	W99 N100 Y118 F119 R260	I81-W99 HydrophobicContact CD1-CD2 4.18Å; I81-W99 HydrophobicContact CD1-CG 4.45Å; I81-W99 HydrophobicContact CD1-CZ2 4.06Å; I81-W99 HydrophobicContact CG1-CB 4.26Å; I81-W99 HydrophobicContact CG1-CD2 3.53Å; I81-W99 HydrophobicContact CG1-CE3 4.07Å; I81-W99 HydrophobicContact CG1-CG 3.61Å; I81-W99 HydrophobicContact CG1-CZ2 4.29Å; I81-W99 WeakPolarHBondContact O-CB 3.35Å; I81-W99 PolarHBondContact O-N 2.95Å; I81-W99 VanDerWaalsContact O-N 3.14Å; I81-N100 PolarHBondContact O-ND2 3.39Å; I81-Y118 CarbonylContact C-O 3.45Å; I81-Y118 VanDerWaalsContact CA-O 3.29Å; I81-Y118 WeakPolarHBondContact CA-O 3.22Å; I81-Y118 HydrophobicContact CB-CD2 4.49Å; I81-Y118 HydrophobicContact CB-CE1 4.05Å; I81-Y118 HydrophobicContact CB-CE2 3.92Å; I81-Y118 HydrophobicContact CD1-CE2 4.42Å; I81-Y118 HydrophobicContact CG2-CD1 4.31Å; I81-Y118 HydrophobicContact CG2-CE1 3.53Å; I81-Y118 HydrophobicContact CG2-CE2 4.28Å; I81-F119 HydrophobicContact CG2-CD1 4.33Å; I81-F119 HydrophobicContact CG2-CE1 3.67Å; I81-F119 HydrophobicContact CG2-CZ 4.15Å; I81-R260 VanDerWaalsContact CG2-NH2 3.34Å
82	N	95.7	Very high	95.1	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.016	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-127	71.7	173	176.9	40.4	0	0	0	108.8	R84 F111 S115 A117 Y118 P120	N82-R84 PolarHBondContact O-N 2.95Å; N82-F111 HydrophobicContact CB-CD1 4.4Å; N82-S115 PolarHBondContact ND2-O 2.76Å; N82-A117 WeakPolarHBondContact CB-O 3.16Å; N82-A117 PolarHBondContact ND2-O 3.48Å; N82-Y118 PolarHBondContact N-O 3.03Å; N82-P120 HydrophobicContact CB-CG 3.76Å
83	K	95.1	Very high	95.1	Very high	92 Å²	92	54.6 Å²	54.6	40%	0.4	30%	0.301	S	S	.	.			trans	-78.7	100.9	179.7	-171.3	172	177.9	135.6	0	109.7	Y85 H97 Y118	K83-Y85 VanDerWaalsContact CE-O 3.31Å; K83-Y85 WeakPolarHBondContact CE-O 3.3Å; K83-H97 HydrophobicContact CB-CB 3.67Å; K83-H97 WeakPolarHBondContact CB-O 3.24Å; K83-H97 HydrophobicContact CD-CB 3.94Å; K83-H97 HydrophobicContact CG-CB 4.17Å; K83-H97 PolarHBondContact N-O 2.99Å; K83-Y118 HydrophobicContact CB-CE2 3.97Å; K83-Y118 HydrophobicContact CG-CE2 4.4Å
84	R	94.3	Very high	95.1	Very high	58 Å²	58	54.9 Å²	54.9	22%	0.219	30%	0.301	C	S	.	.			trans	-79.7	-22.7	-174.6	-64.1	171	63.6	-127.5	-8.1	114.4	N82 R112 S115	N82-R84 PolarHBondContact O-N 2.95Å; R84-R112 HydrophobicContact CG-CB 4.02Å; R84-R112 PolarHBondContact NE-O 2.87Å; R84-R112 PolarHBondContact O-NH2 2.83Å; R84-S115 WeakPolarHBondContact CD-O 3.29Å
85	Y	94.1	Very high	95.1	Very high	164 Å²	164	54.6 Å²	54.6	64%	0.643	30%	0.302	S	S	*	.			trans	-125.8	118.6	-174.2	-52.4	-68.1	0	0	0	110	K83	K83-Y85 VanDerWaalsContact CE-O 3.31Å; K83-Y85 WeakPolarHBondContact CE-O 3.3Å
86	T	93.1	Very high	95.2	Very high	37 Å²	37	52.9 Å²	52.9	23%	0.227	29%	0.294	C	S	.	.			trans	-123.3	-10.3	-176.9	58.1	0	0	0	0	112.1	K88 N94 H97	T86-K88 PolarHBondContact O-N 3.5Å; T86-K88 PolarHBondContact OG1-N 2.84Å; T86-K88 VanDerWaalsContact OG1-N 3.17Å; T86-N94 WeakPolarHBondContact CB-OD1 3.45Å; T86-N94 WeakPolarHBondContact CG2-OD1 3.39Å; T86-N94 PolarHBondContact OG1-OD1 3.5Å; T86-H97 HydrophobicContact CG2-CB 4.32Å
87	G	93.4	Very high	95.1	Very high	84 Å²	84	52.1 Å²	52.1	87%	0.866	29%	0.293	S	S	*	.	S	Bend	trans	73.6	3.3	-170.2	0	0	0	0	0	114.6
88	K	92.7	Very high	95.1	Very high	91 Å²	91	47.8 Å²	47.8	40%	0.396	27%	0.274	S	S	.	.			trans	-113.1	137.3	-178.1	-59.1	-69.9	-170.3	170.7	0	111.5	T86 F93 N94 D570	T86-K88 PolarHBondContact O-N 3.5Å; T86-K88 PolarHBondContact OG1-N 2.84Å; T86-K88 VanDerWaalsContact OG1-N 3.17Å; K88-F93 HydrophobicContact CB-CD1 3.62Å; K88-F93 HydrophobicContact CB-CE1 3.98Å; K88-F93 HydrophobicContact CB-CG 4.33Å; K88-F93 HydrophobicContact CG-CD1 3.64Å; K88-F93 HydrophobicContact CG-CE1 3.5Å; K88-F93 HydrophobicContact CG-CG 4.34Å; K88-F93 HydrophobicContact CG-CZ 4.07Å; K88-N94 PolarHBondContact O-ND2 2.92Å; K88-N94 PolarHBondContact O-OD1 2.81Å; K88-D570 IonicContact NZ-OD2 2.76Å; K88-D570 PolarHBondContact NZ-OD2 3.12Å
89	A	93.6	Very high	95.2	Very high	107 Å²	107	49.2 Å²	49.2	88%	0.884	28%	0.279	S	S	*	.			trans	-79.7	-26	177.3	0	0	0	0	0	113.1	A91	A89-A91 PolarHBondContact O-N 3.24Å
90	N	95.3	Very high	95.3	Very high	48 Å²	48	47.2 Å²	47.2	26%	0.257	27%	0.269	S	S	.	.			trans	-63.4	121.4	-177.6	-177.3	-65	0	0	0	111.2	E92 F93 N94 E442	N90-E92 WeakPolarHBondContact OD1-CA 3.47Å; N90-E92 WeakPolarHBondContact OD1-CB 3.16Å; N90-E92 PolarHBondContact OD1-N 3.37Å; N90-F93 HydrophobicContact CB-CB 4.06Å; N90-F93 PolarHBondContact OD1-N 3.19Å; N90-N94 PolarHBondContact O-N 2.78Å; N90-N94 PolarHBondContact O-ND2 2.87Å; N90-E442 WeakPolarHBondContact ND2-CG 3.34Å; N90-E442 PolarHBondContact ND2-OE1 3.45Å; N90-E442 PolarHBondContact ND2-OE2 3.37Å
91	A	94.7	Very high	95.4	Very high	70 Å²	70	46.2 Å²	46.2	58%	0.579	26%	0.262	S	S	*	.	H	α-helix	trans	-67.2	-36.3	-176.6	0	0	0	0	0	113.1	A89 N94 L95	A89-A91 PolarHBondContact O-N 3.24Å; A91-N94 PolarHBondContact O-N 3.19Å; A91-L95 PolarHBondContact O-N 2.93Å
92	E	95.5	Very high	95.6	Very high	50 Å²	50	45.8 Å²	45.8	23%	0.234	26%	0.26	C	S	.	.	H	α-helix	trans	-70.3	-41.1	179.3	-166.7	177.5	167.5	0	0	111.5	N90 N94 L95 R439 E442 A443 S444	N90-E92 WeakPolarHBondContact OD1-CA 3.47Å; N90-E92 WeakPolarHBondContact OD1-CB 3.16Å; N90-E92 PolarHBondContact OD1-N 3.37Å; E92-N94 VanDerWaalsContact C-N 3.28Å; E92-N94 PolarHBondContact O-N 3.18Å; E92-L95 WeakPolarHBondContact O-CB 3.33Å; E92-L95 PolarHBondContact O-N 3.41Å; E92-L95 VanDerWaalsContact O-N 3.15Å; E92-R439 VanDerWaalsContact CD-NH1 3.35Å; E92-R439 IonicContact OE1-CZ 3.91Å; E92-R439 IonicContact OE1-NH1 3.8Å; E92-R439 PolarHBondContact OE1-NH1 2.9Å; E92-R439 IonicContact OE1-NH2 3.91Å; E92-R439 IonicContact OE2-NH1 3.9Å; E92-R439 PolarHBondContact OE2-NH1 3.11Å; E92-E442 CarbonylContact C-O 3.5Å; E92-A443 WeakPolarHBondContact OE1-CA 3.37Å; E92-S444 VanDerWaalsContact CG-OG 3.27Å; E92-S444 WeakPolarHBondContact CG-OG 3.47Å; E92-S444 WeakPolarHBondContact O-CB 3.31Å; E92-S444 PolarHBondContact O-OG 3.32Å; E92-S444 PolarHBondContact OE1-N 3.03Å
93	F	96.3	Very high	95.7	Very high	16 Å²	16	46.4 Å²	46.4	7%	0.07	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-45.6	172.4	178.1	-88.6	0	0	0	110.8	K88 N90 L95 R96 H97 N441 E442	K88-F93 HydrophobicContact CB-CD1 3.62Å; K88-F93 HydrophobicContact CB-CE1 3.98Å; K88-F93 HydrophobicContact CB-CG 4.33Å; K88-F93 HydrophobicContact CG-CD1 3.64Å; K88-F93 HydrophobicContact CG-CE1 3.5Å; K88-F93 HydrophobicContact CG-CG 4.34Å; K88-F93 HydrophobicContact CG-CZ 4.07Å; N90-F93 HydrophobicContact CB-CB 4.06Å; N90-F93 PolarHBondContact OD1-N 3.19Å; F93-L95 PolarHBondContact O-N 3.27Å; F93-R96 WeakPolarHBondContact O-CB 3.32Å; F93-R96 VanDerWaalsContact O-CG 3.28Å; F93-R96 WeakPolarHBondContact O-CG 3.33Å; F93-R96 PolarHBondContact O-N 2.73Å; F93-H97 AromaticContact CE1-CD2 3.96Å; F93-H97 AromaticContact CE1-NE2 3.65Å; F93-H97 AromaticContact CZ-NE2 3.72Å; F93-N441 VanDerWaalsContact CD2-O 3.28Å; F93-N441 WeakPolarHBondContact CD2-O 3.31Å; F93-E442 WeakPolarHBondContact CA-O 3.35Å; F93-E442 PolarHBondContact N-O 3.48Å
94	N	96.4	Very high	95.8	Very high	27 Å²	27	43.6 Å²	43.6	14%	0.144	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-30.3	-179.6	-71.5	-27.9	0	0	0	112.7	T86 K88 N90 A91 E92 R96 H97 D98	T86-N94 WeakPolarHBondContact CB-OD1 3.45Å; T86-N94 WeakPolarHBondContact CG2-OD1 3.39Å; T86-N94 PolarHBondContact OG1-OD1 3.5Å; K88-N94 PolarHBondContact O-ND2 2.92Å; K88-N94 PolarHBondContact O-OD1 2.81Å; N90-N94 PolarHBondContact O-N 2.78Å; N90-N94 PolarHBondContact O-ND2 2.87Å; A91-N94 PolarHBondContact O-N 3.19Å; E92-N94 VanDerWaalsContact C-N 3.28Å; E92-N94 PolarHBondContact O-N 3.18Å; N94-R96 PolarHBondContact O-N 3.2Å; N94-H97 PolarHBondContact O-N 2.71Å; N94-H97 VanDerWaalsContact O-N 3.07Å; N94-D98 PolarHBondContact O-N 2.85Å
95	L	96.9	Very high	95.9	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.131	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.7	173.4	-72.3	172.3	0	0	0	113.2	A91 E92 F93 H97 D98 L103 L110 R403	A91-L95 PolarHBondContact O-N 2.93Å; E92-L95 WeakPolarHBondContact O-CB 3.33Å; E92-L95 PolarHBondContact O-N 3.41Å; E92-L95 VanDerWaalsContact O-N 3.15Å; F93-L95 PolarHBondContact O-N 3.27Å; L95-H97 PolarHBondContact O-N 2.75Å; L95-D98 HydrophobicContact CD2-CB 4.3Å; L95-D98 PolarHBondContact O-N 3.37Å; L95-L103 HydrophobicContact CD1-CD2 3.83Å; L95-L110 HydrophobicContact CD2-CD2 4.03Å; L95-R403 PolarHBondContact O-NH2 3.01Å
96	R	95.7	Very high	96.1	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.011	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.8	170.6	-63.9	177.4	176.2	-175.1	-2.2	112.5	F93 N94 W99 V440 N441 A443 Y447 Q448	F93-R96 WeakPolarHBondContact O-CB 3.32Å; F93-R96 VanDerWaalsContact O-CG 3.28Å; F93-R96 WeakPolarHBondContact O-CG 3.33Å; F93-R96 PolarHBondContact O-N 2.73Å; N94-R96 PolarHBondContact O-N 3.2Å; R96-W99 PolarHBondContact O-NE1 3.1Å; R96-V440 PolarHBondContact NH2-O 2.86Å; R96-N441 VanDerWaalsContact CZ-O 3.28Å; R96-N441 PolarHBondContact NH1-O 3.25Å; R96-N441 VanDerWaalsContact NH2-C 3.27Å; R96-N441 PolarHBondContact NH2-O 2.86Å; R96-N441 VanDerWaalsContact NH2-O 3.17Å; R96-A443 PolarHBondContact NE-O 3.11Å; R96-A443 PolarHBondContact NH2-O 2.96Å; R96-Y447 HydrophobicContact CB-CD1 4.15Å; R96-Y447 HydrophobicContact CB-CE1 4.46Å; R96-Y447 HydrophobicContact CB-CG 4.47Å; R96-Y447 HydrophobicContact CG-CD1 4.05Å; R96-Y447 HydrophobicContact CG-CD2 4.4Å; R96-Y447 HydrophobicContact CG-CG 3.88Å; R96-Q448 PolarHBondContact O-NE2 2.79Å
97	H	94.8	Very high	96.2	Very high	38 Å²	38	42 Å²	42	18%	0.176	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-0.1	-176.2	-46.6	-75	0	0	0	113.2	K83 T86 F93 N94 L95	K83-H97 HydrophobicContact CB-CB 3.67Å; K83-H97 WeakPolarHBondContact CB-O 3.24Å; K83-H97 HydrophobicContact CD-CB 3.94Å; K83-H97 HydrophobicContact CG-CB 4.17Å; K83-H97 PolarHBondContact N-O 2.99Å; T86-H97 HydrophobicContact CG2-CB 4.32Å; F93-H97 AromaticContact CE1-CD2 3.96Å; F93-H97 AromaticContact CE1-NE2 3.65Å; F93-H97 AromaticContact CZ-NE2 3.72Å; N94-H97 PolarHBondContact O-N 2.71Å; N94-H97 VanDerWaalsContact O-N 3.07Å; L95-H97 PolarHBondContact O-N 2.75Å
98	D	96.5	Very high	96.4	Very high	10 Å²	10	46 Å²	46	5%	0.053	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-96.6	103.9	167.5	-175.6	-23.8	0	0	0	110	N94 L95 N100 S101 R403	N94-D98 PolarHBondContact O-N 2.85Å; L95-D98 HydrophobicContact CD2-CB 4.3Å; L95-D98 PolarHBondContact O-N 3.37Å; D98-N100 VanDerWaalsContact C-N 3.33Å; D98-N100 PolarHBondContact OD1-N 3.48Å; D98-S101 PolarHBondContact OD1-N 3.39Å; D98-S101 PolarHBondContact OD1-OG 3.09Å; D98-S101 VanDerWaalsContact OD2-CB 3.29Å; D98-S101 WeakPolarHBondContact OD2-CB 3.49Å; D98-S101 PolarHBondContact OD2-OG 3.08Å; D98-R403 PolarHBondContact O-NH1 2.94Å
99	W	97.4	Very high	96.6	Very high	36 Å²	36	41.8 Å²	41.8	14%	0.136	23%	0.232	C	C	.	.	S	Bend	trans	-89.1	2.3	-176	-70	13.8	0	0	0	115.2	I81 R96 V256 H400	I81-W99 HydrophobicContact CD1-CD2 4.18Å; I81-W99 HydrophobicContact CD1-CG 4.45Å; I81-W99 HydrophobicContact CD1-CZ2 4.06Å; I81-W99 HydrophobicContact CG1-CB 4.26Å; I81-W99 HydrophobicContact CG1-CD2 3.53Å; I81-W99 HydrophobicContact CG1-CE3 4.07Å; I81-W99 HydrophobicContact CG1-CG 3.61Å; I81-W99 HydrophobicContact CG1-CZ2 4.29Å; I81-W99 WeakPolarHBondContact O-CB 3.35Å; I81-W99 PolarHBondContact O-N 2.95Å; I81-W99 VanDerWaalsContact O-N 3.14Å; R96-W99 PolarHBondContact O-NE1 3.1Å; W99-V256 HydrophobicContact CH2-CG2 3.73Å; W99-V256 HydrophobicContact CZ3-CB 4.49Å; W99-V256 HydrophobicContact CZ3-CG1 4Å; W99-V256 HydrophobicContact CZ3-CG2 3.58Å; W99-H400 HydrophobicContact CB-CB 4.34Å; W99-H400 VanDerWaalsContact CB-ND1 3.33Å; W99-H400 WeakPolarHBondContact CB-ND1 3.3Å; W99-H400 AromaticContact CD1-CG 3.91Å; W99-H400 AromaticContact CD1-ND1 3.96Å; W99-H400 AromaticContact CD2-CE1 3.47Å; W99-H400 VanDerWaalsContact CD2-CE1 3.47Å; W99-H400 AromaticContact CD2-ND1 3.58Å; W99-H400 AromaticContact CD2-NE2 3.99Å; W99-H400 AromaticContact CE3-CE1 3.41Å; W99-H400 VanDerWaalsContact CE3-CE1 3.41Å; W99-H400 AromaticContact CE3-ND1 3.9Å; W99-H400 HydrophobicContact CG-CB 4.27Å; W99-H400 AromaticContact CG-CE1 3.77Å; W99-H400 AromaticContact CG-CG 3.77Å; W99-H400 AromaticContact CG-ND1 3.34Å; W99-H400 VanDerWaalsContact CG-ND1 3.34Å
100	N	98.1	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-123.3	-29.1	-165.4	-65.8	-63.1	0	0	0	113	S80 I81 D98 F111 M125	S80-N100 WeakPolarHBondContact CB-OD1 3.36Å; S80-N100 PolarHBondContact OG-OD1 2.9Å; I81-N100 PolarHBondContact O-ND2 3.39Å; D98-N100 VanDerWaalsContact C-N 3.33Å; D98-N100 PolarHBondContact OD1-N 3.48Å; N100-F111 HydrophobicContact CB-CB 3.76Å; N100-F111 HydrophobicContact CB-CD1 3.59Å; N100-F111 HydrophobicContact CB-CD2 3.65Å; N100-F111 HydrophobicContact CB-CE1 4.12Å; N100-F111 HydrophobicContact CB-CE2 4.14Å; N100-F111 HydrophobicContact CB-CG 3.34Å; N100-F111 HydrophobicContact CB-CZ 4.36Å; N100-M125 HydrophobicContact CB-CE 3.7Å; N100-M125 VanDerWaalsContact OD1-CE 3.27Å; N100-M125 WeakPolarHBondContact OD1-CE 3.3Å
101	S	98.4	Very high	97	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-67.9	136.6	-179.8	-68.5	0	0	0	0	113.3	D98 L110 F111 Y128 R403	D98-S101 PolarHBondContact OD1-N 3.39Å; D98-S101 PolarHBondContact OD1-OG 3.09Å; D98-S101 VanDerWaalsContact OD2-CB 3.29Å; D98-S101 WeakPolarHBondContact OD2-CB 3.49Å; D98-S101 PolarHBondContact OD2-OG 3.08Å; S101-L110 WeakPolarHBondContact OG-CA 3.26Å; S101-F111 WeakPolarHBondContact OG-CB 3.45Å; S101-F111 PolarHBondContact OG-N 2.75Å; S101-Y128 WeakPolarHBondContact CA-OH 3.49Å; S101-R403 VanDerWaalsContact O-CD 3.24Å; S101-R403 WeakPolarHBondContact O-CD 3.22Å; S101-R403 PolarHBondContact O-NH1 2.72Å
102	L	98.7	Very high	97.1	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-78.4	155.1	157.7	-61	-171.9	0	0	0	110.4	P40 L43 Q44 Y128 L129 F132 I399	P40-L102 HydrophobicContact CB-CD2 4.01Å; L43-L102 HydrophobicContact CB-CD1 3.99Å; Q44-L102 HydrophobicContact CB-CD1 4.44Å; Q44-L102 HydrophobicContact CB-CD2 4.17Å; L102-Y128 HydrophobicContact CG-CE1 4.17Å; L102-Y128 PolarHBondContact N-OH 3.28Å; L102-L129 HydrophobicContact CD1-CD2 3.95Å; L102-L129 HydrophobicContact CG-CD2 4.46Å; L102-F132 HydrophobicContact CB-CD2 4.11Å; L102-F132 HydrophobicContact CB-CE1 4.37Å; L102-F132 HydrophobicContact CB-CE2 3.53Å; L102-F132 HydrophobicContact CB-CZ 3.69Å; L102-F132 HydrophobicContact CD1-CD1 3.94Å; L102-F132 HydrophobicContact CD1-CD2 4.4Å; L102-F132 HydrophobicContact CD1-CE1 3.82Å; L102-F132 HydrophobicContact CD1-CE2 4.29Å; L102-F132 HydrophobicContact CD1-CG 4.24Å; L102-F132 HydrophobicContact CD1-CZ 4.01Å; L102-F132 HydrophobicContact CG-CE2 4.48Å; L102-I399 HydrophobicContact CD2-CG2 3.92Å
103	L	98.5	Very high	97.2	Very high	16 Å²	16	39.9 Å²	39.9	8%	0.084	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-78.3	125.6	176.6	-55.1	176.2	0	0	0	109.6	Q44 Y47 F48 L95 R403 Y404	Q44-L103 PolarHBondContact NE2-O 3.44Å; Y47-L103 WeakPolarHBondContact CD1-O 3.5Å; Y47-L103 VanDerWaalsContact CE1-O 3.26Å; Y47-L103 WeakPolarHBondContact CE1-O 3.14Å; F48-L103 HydrophobicContact CZ-CB 4.27Å; F48-L103 HydrophobicContact CZ-CD1 4.12Å; L95-L103 HydrophobicContact CD1-CD2 3.83Å; L103-R403 HydrophobicContact CD1-CB 4.41Å; L103-R403 HydrophobicContact CD1-CG 4.23Å; L103-R403 HydrophobicContact CD2-CG 4.41Å; L103-R403 HydrophobicContact CG-CB 4.24Å; L103-R403 HydrophobicContact CG-CG 4.07Å; L103-Y404 HydrophobicContact CD1-CD1 3.98Å; L103-Y404 HydrophobicContact CD1-CE1 3.91Å; L103-Y404 HydrophobicContact CD2-CE1 4.12Å
104	S	97.9	Very high	97.2	Very high	34 Å²	34	40.6 Å²	40.6	24%	0.238	19%	0.192	C	C	.	.			trans	-144.9	173.4	168.6	84	0	0	0	0	111.2	D106	S104-D106 VanDerWaalsContact C-N 3.33Å; S104-D106 PolarHBondContact OG-N 3.25Å; S104-D106 VanDerWaalsContact OG-N 3.12Å; S104-D106 PolarHBondContact OG-O 3.12Å; S104-D106 VanDerWaalsContact OG-O 3.1Å
105	H	96.8	Very high	97.3	Very high	119 Å²	119	39.7 Å²	39.7	55%	0.551	19%	0.188	S	C	*	.	S	Bend	trans	-83	-13.7	172.1	63	-82.5	0	0	0	112.3	Y47 P107	Y47-H105 AromaticContact CE2-ND1 3.54Å; Y47-H105 AromaticContact CZ-ND1 3.89Å; Y47-H105 PolarHBondContact OH-N 2.97Å; Y47-H105 PolarHBondContact OH-ND1 3.33Å; H105-P107 WeakPolarHBondContact O-CD 3.31Å
106	D	97.4	Very high	97.3	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.091	22%	0.22	C	C	.	.			trans	-96.9	109.3	-176.8	-172.5	-13.2	0	0	0	110.2	S104 R108 L109	S104-D106 VanDerWaalsContact C-N 3.33Å; S104-D106 PolarHBondContact OG-N 3.25Å; S104-D106 VanDerWaalsContact OG-N 3.12Å; S104-D106 PolarHBondContact OG-O 3.12Å; S104-D106 VanDerWaalsContact OG-O 3.1Å; D106-R108 PolarHBondContact O-N 2.81Å; D106-R108 VanDerWaalsContact O-N 3.15Å; D106-R108 WeakPolarHBondContact OD1-CB 3.33Å; D106-R108 VanDerWaalsContact OD1-CG 3.27Å; D106-R108 WeakPolarHBondContact OD1-CG 3.32Å; D106-R108 IonicContact OD1-CZ 2.72Å; D106-R108 PolarHBondContact OD1-N 3.15Å; D106-R108 IonicContact OD1-NE 2.92Å; D106-R108 PolarHBondContact OD1-NE 2.86Å; D106-R108 IonicContact OD1-NH2 2.91Å; D106-R108 IonicContact OD2-CZ 3.23Å; D106-R108 VanDerWaalsContact OD2-CZ 3.25Å; D106-R108 IonicContact OD2-NE 3.38Å; D106-R108 PolarHBondContact OD2-NE 3.48Å; D106-R108 IonicContact OD2-NH2 3.94Å; D106-R108 PolarHBondContact OD2-NH2 3.37Å; D106-L109 HydrophobicContact CB-CD1 4.13Å; D106-L109 HydrophobicContact CB-CG 4.25Å; D106-L109 PolarHBondContact O-N 3.06Å; D106-L109 VanDerWaalsContact O-N 3.09Å
107	P	95.8	Very high	97.3	Very high	89 Å²	89	50.9 Å²	50.9	58%	0.578	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-65.9	-16.1	-179.1	28.9	-35.6	0	0	0	113.2	H105 L109 L110 H113	H105-P107 WeakPolarHBondContact O-CD 3.31Å; P107-L109 PolarHBondContact O-N 2.72Å; P107-L110 WeakPolarHBondContact O-CD1 3.34Å; P107-L110 VanDerWaalsContact O-CG 3.3Å; P107-L110 WeakPolarHBondContact O-CG 3.45Å; P107-L110 PolarHBondContact O-N 2.76Å; P107-H113 PolarHBondContact O-NE2 3.22Å
108	R	97	Very high	97.4	Very high	167 Å²	167	54.3 Å²	54.3	63%	0.63	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-67.3	-25.9	174.9	-57.9	175.1	-64.4	171.9	4	111.6	D106 L110 H113	D106-R108 PolarHBondContact O-N 2.81Å; D106-R108 VanDerWaalsContact O-N 3.15Å; D106-R108 WeakPolarHBondContact OD1-CB 3.33Å; D106-R108 VanDerWaalsContact OD1-CG 3.27Å; D106-R108 WeakPolarHBondContact OD1-CG 3.32Å; D106-R108 IonicContact OD1-CZ 2.72Å; D106-R108 PolarHBondContact OD1-N 3.15Å; D106-R108 IonicContact OD1-NE 2.92Å; D106-R108 PolarHBondContact OD1-NE 2.86Å; D106-R108 IonicContact OD1-NH2 2.91Å; D106-R108 IonicContact OD2-CZ 3.23Å; D106-R108 VanDerWaalsContact OD2-CZ 3.25Å; D106-R108 IonicContact OD2-NE 3.38Å; D106-R108 PolarHBondContact OD2-NE 3.48Å; D106-R108 IonicContact OD2-NH2 3.94Å; D106-R108 PolarHBondContact OD2-NH2 3.37Å; R108-L110 PolarHBondContact O-N 3.44Å; R108-H113 PolarHBondContact O-CD2 3.03Å
109	L	97.9	Very high	97.4	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-86.8	32.6	178.5	-61.4	177.4	0	0	0	112.9	D106 P107 Y128 F132 T135 L136	D106-L109 HydrophobicContact CB-CD1 4.13Å; D106-L109 HydrophobicContact CB-CG 4.25Å; D106-L109 PolarHBondContact O-N 3.06Å; D106-L109 VanDerWaalsContact O-N 3.09Å; P107-L109 PolarHBondContact O-N 2.72Å; L109-Y128 WeakPolarHBondContact O-CE2 3.47Å; L109-Y128 PolarHBondContact O-OH 2.88Å; L109-F132 HydrophobicContact CB-CD2 4.17Å; L109-F132 HydrophobicContact CD1-CD2 4.09Å; L109-F132 HydrophobicContact CD1-CE2 4.5Å; L109-T135 HydrophobicContact CD1-CG2 4.37Å; L109-T135 HydrophobicContact CD2-CG2 4.41Å; L109-L136 HydrophobicContact CD1-CD1 3.8Å; L109-L136 HydrophobicContact CD1-CD2 3.77Å; L109-L136 HydrophobicContact CD1-CG 3.61Å
110	L	97.9	Very high	97.4	Very high	41 Å²	41	54.8 Å²	54.8	22%	0.215	25%	0.253	C	S	.	.			trans	-94.5	133.5	168.3	-65.7	172.9	0	0	0	110.4	L95 S101 P107 R108 R112 H113 Y114	L95-L110 HydrophobicContact CD2-CD2 4.03Å; S101-L110 WeakPolarHBondContact OG-CA 3.26Å; P107-L110 WeakPolarHBondContact O-CD1 3.34Å; P107-L110 VanDerWaalsContact O-CG 3.3Å; P107-L110 WeakPolarHBondContact O-CG 3.45Å; P107-L110 PolarHBondContact O-N 2.76Å; R108-L110 PolarHBondContact O-N 3.44Å; L110-R112 HydrophobicContact CB-CG 3.83Å; L110-R112 PolarHBondContact O-N 3.11Å; L110-H113 WeakPolarHBondContact O-CB 3.43Å; L110-H113 PolarHBondContact O-CD2 2.8Å; L110-H113 PolarHBondContact O-N 2.95Å; L110-Y114 WeakPolarHBondContact O-CD2 3.41Å
111	F	98.2	Very high	97.4	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-56.9	-24.6	-177.7	-162.3	-88.8	0	0	0	113.6	N82 N100 S101 H113 Y114 S115 P120 D124 M125 Y128	N82-F111 HydrophobicContact CB-CD1 4.4Å; N100-F111 HydrophobicContact CB-CB 3.76Å; N100-F111 HydrophobicContact CB-CD1 3.59Å; N100-F111 HydrophobicContact CB-CD2 3.65Å; N100-F111 HydrophobicContact CB-CE1 4.12Å; N100-F111 HydrophobicContact CB-CE2 4.14Å; N100-F111 HydrophobicContact CB-CG 3.34Å; N100-F111 HydrophobicContact CB-CZ 4.36Å; S101-F111 WeakPolarHBondContact OG-CB 3.45Å; S101-F111 PolarHBondContact OG-N 2.75Å; F111-H113 PolarHBondContact O-N 2.93Å; F111-Y114 WeakPolarHBondContact O-CB 3.34Å; F111-Y114 PolarHBondContact O-N 2.86Å; F111-S115 PolarHBondContact O-N 2.74Å; F111-P120 HydrophobicContact CD1-CG 4.35Å; F111-P120 HydrophobicContact CE1-CB 3.68Å; F111-P120 HydrophobicContact CE1-CG 3.45Å; F111-P120 VanDerWaalsContact CE1-CG 3.45Å; F111-P120 HydrophobicContact CZ-CB 3.95Å; F111-P120 HydrophobicContact CZ-CG 4.14Å; F111-D124 HydrophobicContact CE2-CB 4.5Å; F111-D124 HydrophobicContact CZ-CB 3.84Å; F111-M125 HydrophobicContact CD2-CE 4.18Å; F111-M125 HydrophobicContact CD2-SD 4.45Å; F111-M125 HydrophobicContact CE2-CB 4.37Å; F111-M125 HydrophobicContact CE2-CE 3.69Å; F111-M125 HydrophobicContact CE2-SD 4.01Å; F111-M125 HydrophobicContact CZ-CE 4.2Å; F111-Y128 AromaticContact CD2-CD1 3.74Å; F111-Y128 HydrophobicContact CD2-CD1 3.74Å; F111-Y128 HydrophobicContact CD2-CD2 4.13Å; F111-Y128 HydrophobicContact CD2-CE1 4.34Å; F111-Y128 AromaticContact CD2-CG 3.61Å; F111-Y128 HydrophobicContact CD2-CG 3.61Å; F111-Y128 HydrophobicContact CE2-CD1 4.27Å; F111-Y128 HydrophobicContact CE2-CG 4.1Å
112	R	96.1	Very high	97.3	Very high	72 Å²	72	56.7 Å²	56.7	27%	0.272	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-54.6	-22.1	172.3	71	179.2	-64.1	160.6	6.5	114.5	R84 L110	R84-R112 HydrophobicContact CG-CB 4.02Å; R84-R112 PolarHBondContact NE-O 2.87Å; R84-R112 PolarHBondContact O-NH2 2.83Å; L110-R112 HydrophobicContact CB-CG 3.83Å; L110-R112 PolarHBondContact O-N 3.11Å
113	H	97.4	Very high	97.3	Very high	122 Å²	122	64.4 Å²	64.4	57%	0.565	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-87.8	-12.1	177.2	-60.6	-62.8	0	0	0	112.9	P107 R108 L110 F111	P107-H113 PolarHBondContact O-NE2 3.22Å; R108-H113 PolarHBondContact O-CD2 3.03Å; L110-H113 WeakPolarHBondContact O-CB 3.43Å; L110-H113 PolarHBondContact O-CD2 2.8Å; L110-H113 PolarHBondContact O-N 2.95Å; F111-H113 PolarHBondContact O-N 2.93Å
114	Y	98	Very high	97.3	Very high	30 Å²	30	64.9 Å²	64.9	12%	0.118	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-37.1	-176.2	-70	-99.3	0	0	0	112.1	L110 F111 R127 Y128 D131	L110-Y114 WeakPolarHBondContact O-CD2 3.41Å; F111-Y114 WeakPolarHBondContact O-CB 3.34Å; F111-Y114 PolarHBondContact O-N 2.86Å; Y114-R127 HydrophobicContact CD1-CB 4.48Å; Y114-R127 HydrophobicContact CD1-CG 4.21Å; Y114-R127 HydrophobicContact CE1-CG 4.14Å; Y114-R127 PolarHBondContact O-NH2 3.07Å; Y114-Y128 HydrophobicContact CD1-CD2 4.32Å; Y114-Y128 AromaticContact CD2-CD2 3.66Å; Y114-Y128 HydrophobicContact CD2-CD2 3.66Å; Y114-Y128 HydrophobicContact CD2-CE2 4.41Å; Y114-Y128 HydrophobicContact CD2-CG 4.5Å; Y114-Y128 VanDerWaalsContact CE1-CA 3.47Å; Y114-Y128 HydrophobicContact CE1-CD2 4.2Å; Y114-Y128 AromaticContact CE2-CD2 3.53Å; Y114-Y128 HydrophobicContact CE2-CD2 3.53Å; Y114-Y128 HydrophobicContact CE2-CE2 4.13Å; Y114-Y128 HydrophobicContact CG-CD2 4.08Å; Y114-Y128 AromaticContact CZ-CD2 3.83Å; Y114-D131 HydrophobicContact CE1-CB 4.21Å; Y114-D131 WeakPolarHBondContact CE1-OD2 3.4Å; Y114-D131 WeakPolarHBondContact OH-CB 3.49Å; Y114-D131 PolarHBondContact OH-OD2 3.16Å
115	S	97.3	Very high	97.3	Very high	9 Å²	9	63.2 Å²	63.2	6%	0.063	28%	0.283	C	S	.	.			trans	-133.6	142.1	178.9	-156	0	0	0	0	111.5	N82 R84 F111 D124	N82-S115 PolarHBondContact ND2-O 2.76Å; R84-S115 WeakPolarHBondContact CD-O 3.29Å; F111-S115 PolarHBondContact O-N 2.74Å; S115-D124 WeakPolarHBondContact CB-OD2 3.46Å; S115-D124 PolarHBondContact OG-OD2 3.21Å
116	R	96.8	Very high	97.4	Very high	216 Å²	216	58 Å²	58	82%	0.815	26%	0.26	S	S	*	.			trans	-92.5	-18.1	170.2	-63.9	-177.1	179.7	-176.6	0.6	112.2
117	A	96.6	Very high	97.4	Very high	46 Å²	46	62.5 Å²	62.5	38%	0.38	28%	0.275	S	S	.	.	S	Bend	trans	-69.6	144.5	-179	0	0	0	0	0	111	N82 F119	N82-A117 WeakPolarHBondContact CB-O 3.16Å; N82-A117 PolarHBondContact ND2-O 3.48Å; A117-F119 VanDerWaalsContact C-N 3.34Å
118	Y	96.4	Very high	97.6	Very high	111 Å²	111	58.3 Å²	58.3	44%	0.435	25%	0.248	S	C	.	.	S	Bend	trans	-68.7	-36.4	173.9	-174.2	-109.6	0	0	0	111.6	I81 N82 K83	I81-Y118 CarbonylContact C-O 3.45Å; I81-Y118 VanDerWaalsContact CA-O 3.29Å; I81-Y118 WeakPolarHBondContact CA-O 3.22Å; I81-Y118 HydrophobicContact CB-CD2 4.49Å; I81-Y118 HydrophobicContact CB-CE1 4.05Å; I81-Y118 HydrophobicContact CB-CE2 3.92Å; I81-Y118 HydrophobicContact CD1-CE2 4.42Å; I81-Y118 HydrophobicContact CG2-CD1 4.31Å; I81-Y118 HydrophobicContact CG2-CE1 3.53Å; I81-Y118 HydrophobicContact CG2-CE2 4.28Å; N82-Y118 PolarHBondContact N-O 3.03Å; K83-Y118 HydrophobicContact CB-CE2 3.97Å; K83-Y118 HydrophobicContact CG-CE2 4.4Å
119	F	96.6	Very high	97.6	Very high	55 Å²	55	50.3 Å²	50.3	24%	0.241	22%	0.218	C	C	.	.	S	Bend	trans	-115	98.3	170.2	-67.6	-69.1	0	0	0	108.4	I81 A117 I262	I81-F119 HydrophobicContact CG2-CD1 4.33Å; I81-F119 HydrophobicContact CG2-CE1 3.67Å; I81-F119 HydrophobicContact CG2-CZ 4.15Å; A117-F119 VanDerWaalsContact C-N 3.34Å; F119-I262 HydrophobicContact CB-CD1 3.43Å; F119-I262 VanDerWaalsContact CB-CD1 3.43Å; F119-I262 HydrophobicContact CD1-CD1 3.63Å; F119-I262 HydrophobicContact CD2-CD1 3.29Å; F119-I262 HydrophobicContact CD2-CG1 4.08Å; F119-I262 HydrophobicContact CE1-CD1 4.13Å; F119-I262 HydrophobicContact CE2-CB 4.26Å; F119-I262 HydrophobicContact CE2-CD1 3.82Å; F119-I262 HydrophobicContact CE2-CG1 4.23Å; F119-I262 HydrophobicContact CG-CD1 3.17Å; F119-I262 HydrophobicContact CG-CG1 4.37Å; F119-I262 HydrophobicContact CZ-CB 4.28Å; F119-I262 HydrophobicContact CZ-CD1 4.22Å
120	P	97.5	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	22%	0.22	C	C	.	.			trans	-68.8	161.3	-169.7	-20.8	33	0	0	0	114.5	L78 S80 N82 F111	L78-P120 WeakPolarHBondContact CB-O 3.29Å; L78-P120 HydrophobicContact CD1-CB 4.11Å; L78-P120 HydrophobicContact CD1-CG 4.48Å; L78-P120 WeakPolarHBondContact CG-O 3.48Å; L78-P120 PolarHBondContact N-O 3.04Å; S80-P120 VanDerWaalsContact O-CD 3.31Å; S80-P120 WeakPolarHBondContact O-CD 3.32Å; N82-P120 HydrophobicContact CB-CG 3.76Å; F111-P120 HydrophobicContact CD1-CG 4.35Å; F111-P120 HydrophobicContact CE1-CB 3.68Å; F111-P120 HydrophobicContact CE1-CG 3.45Å; F111-P120 VanDerWaalsContact CE1-CG 3.45Å; F111-P120 HydrophobicContact CZ-CB 3.95Å; F111-P120 HydrophobicContact CZ-CG 4.14Å
121	D	97.7	Very high	97.7	Very high	41 Å²	41	51.3 Å²	51.3	22%	0.219	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-74.8	139.8	165.1	-173.4	-55.2	0	0	0	109.6	R76 R123 D124	R76-D121 CarbonylContact O-C 3.57Å; R76-D121 VanDerWaalsContact O-CA 3.32Å; R76-D121 WeakPolarHBondContact O-CA 3.45Å; D121-R123 PolarHBondContact O-N 3.04Å; D121-R123 VanDerWaalsContact O-N 3.17Å; D121-R123 VanDerWaalsContact OD1-CB 3.22Å; D121-R123 WeakPolarHBondContact OD1-CB 3.44Å; D121-R123 VanDerWaalsContact OD1-CG 3.29Å; D121-R123 WeakPolarHBondContact OD1-CG 3.4Å; D121-R123 PolarHBondContact OD1-N 3.26Å; D121-R123 IonicContact OD1-NE 3.42Å; D121-R123 PolarHBondContact OD1-NE 2.8Å; D121-R123 IonicContact OD2-CZ 3.76Å; D121-R123 IonicContact OD2-NE 3.48Å; D121-R123 PolarHBondContact OD2-NE 2.97Å; D121-R123 IonicContact OD2-NH2 3.42Å; D121-R123 PolarHBondContact OD2-NH2 3.19Å; D121-D124 WeakPolarHBondContact O-CB 3.15Å; D121-D124 PolarHBondContact O-N 3.22Å
122	A	97.7	Very high	97.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-23.1	180	0	0	0	0	0	112.8	P73 R76 L78 D124 M125 V126	P73-A122 HydrophobicContact CG-CB 4.48Å; R76-A122 WeakPolarHBondContact O-CB 3.26Å; R76-A122 PolarHBondContact O-N 3.27Å; L78-A122 HydrophobicContact CD2-CB 3.93Å; L78-A122 HydrophobicContact CG-CB 4.48Å; A122-D124 VanDerWaalsContact C-N 3.29Å; A122-D124 PolarHBondContact O-N 3.38Å; A122-M125 WeakPolarHBondContact O-CB 3.43Å; A122-M125 PolarHBondContact O-N 3.47Å; A122-V126 PolarHBondContact O-N 3.17Å
123	R	97.4	Very high	97.9	Very high	164 Å²	164	48 Å²	48	62%	0.619	21%	0.213	S	C	*	.	H	α-helix	trans	-62.3	-35.2	171.1	-69.1	178.5	-71.7	176.7	-1.3	112.3	D121 M125 V126 R127	D121-R123 PolarHBondContact O-N 3.04Å; D121-R123 VanDerWaalsContact O-N 3.17Å; D121-R123 VanDerWaalsContact OD1-CB 3.22Å; D121-R123 WeakPolarHBondContact OD1-CB 3.44Å; D121-R123 VanDerWaalsContact OD1-CG 3.29Å; D121-R123 WeakPolarHBondContact OD1-CG 3.4Å; D121-R123 PolarHBondContact OD1-N 3.26Å; D121-R123 IonicContact OD1-NE 3.42Å; D121-R123 PolarHBondContact OD1-NE 2.8Å; D121-R123 IonicContact OD2-CZ 3.76Å; D121-R123 IonicContact OD2-NE 3.48Å; D121-R123 PolarHBondContact OD2-NE 2.97Å; D121-R123 IonicContact OD2-NH2 3.42Å; D121-R123 PolarHBondContact OD2-NH2 3.19Å; R123-M125 PolarHBondContact O-N 2.97Å; R123-V126 PolarHBondContact O-N 2.77Å; R123-R127 PolarHBondContact O-N 3.1Å
124	D	98.4	Very high	97.9	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.134	22%	0.215	C	C	.	.	H	α-helix	trans	-63.9	-34.3	176.3	-68	-33	0	0	0	110.8	F111 S115 D121 A122 R127 Y128	F111-D124 HydrophobicContact CE2-CB 4.5Å; F111-D124 HydrophobicContact CZ-CB 3.84Å; S115-D124 WeakPolarHBondContact CB-OD2 3.46Å; S115-D124 PolarHBondContact OG-OD2 3.21Å; D121-D124 WeakPolarHBondContact O-CB 3.15Å; D121-D124 PolarHBondContact O-N 3.22Å; A122-D124 VanDerWaalsContact C-N 3.29Å; A122-D124 PolarHBondContact O-N 3.38Å; D124-R127 PolarHBondContact O-N 3.29Å; D124-R127 IonicContact OD1-CZ 3.5Å; D124-R127 IonicContact OD1-NH1 3.33Å; D124-R127 PolarHBondContact OD1-NH1 2.8Å; D124-R127 IonicContact OD1-NH2 3.91Å; D124-R127 PolarHBondContact OD1-NH2 3.17Å; D124-Y128 VanDerWaalsContact O-CB 3.23Å; D124-Y128 WeakPolarHBondContact O-CB 3.15Å; D124-Y128 PolarHBondContact O-N 3.19Å
125	M	98.5	Very high	97.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.3	-39.7	173.7	-170.8	62.6	67.5	0	0	112.8	F69 L78 N100 F111 A122 R123 Y128 L129 I399	F69-M125 HydrophobicContact CB-CB 4.3Å; F69-M125 HydrophobicContact CB-CG 4.28Å; F69-M125 HydrophobicContact CD1-CB 4.31Å; F69-M125 HydrophobicContact CD1-CG 3.97Å; F69-M125 HydrophobicContact CD2-CB 4.4Å; F69-M125 HydrophobicContact CD2-CG 3.5Å; F69-M125 HydrophobicContact CE1-CG 4.13Å; F69-M125 HydrophobicContact CE2-CG 3.68Å; F69-M125 HydrophobicContact CG-CB 4.09Å; F69-M125 HydrophobicContact CG-CG 3.65Å; F69-M125 HydrophobicContact CZ-CG 3.99Å; L78-M125 HydrophobicContact CD1-CB 4.29Å; L78-M125 HydrophobicContact CD1-CE 3.93Å; N100-M125 HydrophobicContact CB-CE 3.7Å; N100-M125 VanDerWaalsContact OD1-CE 3.27Å; N100-M125 WeakPolarHBondContact OD1-CE 3.3Å; F111-M125 HydrophobicContact CD2-CE 4.18Å; F111-M125 HydrophobicContact CD2-SD 4.45Å; F111-M125 HydrophobicContact CE2-CB 4.37Å; F111-M125 HydrophobicContact CE2-CE 3.69Å; F111-M125 HydrophobicContact CE2-SD 4.01Å; F111-M125 HydrophobicContact CZ-CE 4.2Å; A122-M125 WeakPolarHBondContact O-CB 3.43Å; A122-M125 PolarHBondContact O-N 3.47Å; R123-M125 PolarHBondContact O-N 2.97Å; M125-Y128 PolarHBondContact O-N 2.8Å; M125-Y128 HydrophobicContact SD-CD1 3.93Å; M125-L129 HydrophobicContact CG-CD1 3.88Å; M125-L129 HydrophobicContact CG-CG 4.36Å; M125-L129 VanDerWaalsContact O-CG 3.29Å; M125-L129 WeakPolarHBondContact O-CG 3.28Å; M125-L129 PolarHBondContact O-N 2.6Å; M125-L129 HydrophobicContact SD-CD1 4.06Å; M125-L129 HydrophobicContact SD-CD2 4.45Å; M125-L129 HydrophobicContact SD-CG 4.08Å; M125-I399 HydrophobicContact CE-CD1 3.88Å; M125-I399 HydrophobicContact SD-CD1 4.17Å
126	V	98.1	Very high	98	Very high	10 Å²	10	50.6 Å²	50.6	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-43.5	175.5	178.1	0	0	0	0	111	R64 F69 T70 A122 R123 G130	R64-V126 VanDerWaalsContact CZ-CG1 3.45Å; F69-V126 HydrophobicContact CB-CG2 3.69Å; T70-V126 HydrophobicContact CG2-CG1 4.25Å; T70-V126 HydrophobicContact CG2-CG2 3.96Å; A122-V126 PolarHBondContact O-N 3.17Å; R123-V126 PolarHBondContact O-N 2.77Å; V126-G130 PolarHBondContact O-N 2.82Å
127	R	98.5	Very high	98	Very high	111 Å²	111	42.5 Å²	42.5	42%	0.419	22%	0.219	S	C	.	.	H	α-helix	trans	-62.4	-49.4	174.9	-175.4	175.9	62.5	-119.2	-10	110.9	Y114 R123 D124 L129 G130 D131	Y114-R127 HydrophobicContact CD1-CB 4.48Å; Y114-R127 HydrophobicContact CD1-CG 4.21Å; Y114-R127 HydrophobicContact CE1-CG 4.14Å; Y114-R127 PolarHBondContact O-NH2 3.07Å; R123-R127 PolarHBondContact O-N 3.1Å; D124-R127 PolarHBondContact O-N 3.29Å; D124-R127 IonicContact OD1-CZ 3.5Å; D124-R127 IonicContact OD1-NH1 3.33Å; D124-R127 PolarHBondContact OD1-NH1 2.8Å; D124-R127 IonicContact OD1-NH2 3.91Å; D124-R127 PolarHBondContact OD1-NH2 3.17Å; R127-L129 PolarHBondContact O-N 3.2Å; R127-G130 PolarHBondContact O-N 3.14Å; R127-D131 PolarHBondContact O-N 3.21Å
128	Y	98.8	Very high	98.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-54	-50.6	179.4	173.6	-114.7	0	0	0	113.4	S101 L102 L109 F111 Y114 D124 M125 G130 D131 F132	S101-Y128 WeakPolarHBondContact CA-OH 3.49Å; L102-Y128 HydrophobicContact CG-CE1 4.17Å; L102-Y128 PolarHBondContact N-OH 3.28Å; L109-Y128 WeakPolarHBondContact O-CE2 3.47Å; L109-Y128 PolarHBondContact O-OH 2.88Å; F111-Y128 AromaticContact CD2-CD1 3.74Å; F111-Y128 HydrophobicContact CD2-CD1 3.74Å; F111-Y128 HydrophobicContact CD2-CD2 4.13Å; F111-Y128 HydrophobicContact CD2-CE1 4.34Å; F111-Y128 AromaticContact CD2-CG 3.61Å; F111-Y128 HydrophobicContact CD2-CG 3.61Å; F111-Y128 HydrophobicContact CE2-CD1 4.27Å; F111-Y128 HydrophobicContact CE2-CG 4.1Å; Y114-Y128 HydrophobicContact CD1-CD2 4.32Å; Y114-Y128 AromaticContact CD2-CD2 3.66Å; Y114-Y128 HydrophobicContact CD2-CD2 3.66Å; Y114-Y128 HydrophobicContact CD2-CE2 4.41Å; Y114-Y128 HydrophobicContact CD2-CG 4.5Å; Y114-Y128 VanDerWaalsContact CE1-CA 3.47Å; Y114-Y128 HydrophobicContact CE1-CD2 4.2Å; Y114-Y128 AromaticContact CE2-CD2 3.53Å; Y114-Y128 HydrophobicContact CE2-CD2 3.53Å; Y114-Y128 HydrophobicContact CE2-CE2 4.13Å; Y114-Y128 HydrophobicContact CG-CD2 4.08Å; Y114-Y128 AromaticContact CZ-CD2 3.83Å; D124-Y128 VanDerWaalsContact O-CB 3.23Å; D124-Y128 WeakPolarHBondContact O-CB 3.15Å; D124-Y128 PolarHBondContact O-N 3.19Å; M125-Y128 PolarHBondContact O-N 2.8Å; M125-Y128 HydrophobicContact SD-CD1 3.93Å; Y128-G130 VanDerWaalsContact C-N 3.31Å; Y128-G130 PolarHBondContact O-N 2.48Å; Y128-D131 PolarHBondContact O-N 3.29Å; Y128-F132 VanDerWaalsContact O-CB 3.3Å; Y128-F132 WeakPolarHBondContact O-CB 3.32Å; Y128-F132 PolarHBondContact O-N 2.94Å
129	L	98.8	Very high	98.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.9	-28.7	-177.5	-64.2	170.1	0	0	0	112.4	P40 L43 P65 F69 L102 M125 R127 A133	P40-L129 HydrophobicContact CB-CD2 4.29Å; P40-L129 HydrophobicContact CG-CD1 3.94Å; P40-L129 HydrophobicContact CG-CD2 4.2Å; L43-L129 HydrophobicContact CD1-CB 4Å; L43-L129 HydrophobicContact CD1-CD2 4.11Å; L43-L129 WeakPolarHBondContact CD1-O 3.43Å; P65-L129 WeakPolarHBondContact CG-O 3.41Å; F69-L129 HydrophobicContact CD2-CD1 3.94Å; F69-L129 HydrophobicContact CE2-CD1 4.08Å; L102-L129 HydrophobicContact CD1-CD2 3.95Å; L102-L129 HydrophobicContact CG-CD2 4.46Å; M125-L129 HydrophobicContact CG-CD1 3.88Å; M125-L129 HydrophobicContact CG-CG 4.36Å; M125-L129 VanDerWaalsContact O-CG 3.29Å; M125-L129 WeakPolarHBondContact O-CG 3.28Å; M125-L129 PolarHBondContact O-N 2.6Å; M125-L129 HydrophobicContact SD-CD1 4.06Å; M125-L129 HydrophobicContact SD-CD2 4.45Å; M125-L129 HydrophobicContact SD-CG 4.08Å; R127-L129 PolarHBondContact O-N 3.2Å; L129-A133 PolarHBondContact O-N 3.46Å
130	G	98.6	Very high	98.3	Very high	7 Å²	7	37.6 Å²	37.6	7%	0.072	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-59.3	169.8	0	0	0	0	0	111	V126 R127 Y128 F132 A133 D134	V126-G130 PolarHBondContact O-N 2.82Å; R127-G130 PolarHBondContact O-N 3.14Å; Y128-G130 VanDerWaalsContact C-N 3.31Å; Y128-G130 PolarHBondContact O-N 2.48Å; G130-F132 PolarHBondContact O-N 3.37Å; G130-A133 PolarHBondContact O-N 2.88Å; G130-D134 PolarHBondContact O-N 3.42Å
131	D	98.8	Very high	98.4	Very high	58 Å²	58	40.2 Å²	40.2	31%	0.31	20%	0.204	S	C	.	.	H	α-helix	trans	-58.9	-36	-179.9	-66.8	2.9	0	0	0	112.3	Y114 R127 Y128 T135	Y114-D131 HydrophobicContact CE1-CB 4.21Å; Y114-D131 WeakPolarHBondContact CE1-OD2 3.4Å; Y114-D131 WeakPolarHBondContact OH-CB 3.49Å; Y114-D131 PolarHBondContact OH-OD2 3.16Å; R127-D131 PolarHBondContact O-N 3.21Å; Y128-D131 PolarHBondContact O-N 3.29Å; D131-T135 WeakPolarHBondContact O-CB 3.42Å; D131-T135 PolarHBondContact O-N 2.72Å; D131-T135 PolarHBondContact O-OG1 2.72Å
132	F	98.9	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-43.4	175.8	-170.9	-85.7	0	0	0	111.8	L43 Y47 L102 L109 Y128 G130 L136 L138	L43-F132 HydrophobicContact CB-CD1 4.24Å; L43-F132 HydrophobicContact CB-CE1 4.38Å; L43-F132 HydrophobicContact CD1-CD1 4.48Å; Y47-F132 HydrophobicContact CG-CZ 4.32Å; L102-F132 HydrophobicContact CB-CD2 4.11Å; L102-F132 HydrophobicContact CB-CE1 4.37Å; L102-F132 HydrophobicContact CB-CE2 3.53Å; L102-F132 HydrophobicContact CB-CZ 3.69Å; L102-F132 HydrophobicContact CD1-CD1 3.94Å; L102-F132 HydrophobicContact CD1-CD2 4.4Å; L102-F132 HydrophobicContact CD1-CE1 3.82Å; L102-F132 HydrophobicContact CD1-CE2 4.29Å; L102-F132 HydrophobicContact CD1-CG 4.24Å; L102-F132 HydrophobicContact CD1-CZ 4.01Å; L102-F132 HydrophobicContact CG-CE2 4.48Å; L109-F132 HydrophobicContact CB-CD2 4.17Å; L109-F132 HydrophobicContact CD1-CD2 4.09Å; L109-F132 HydrophobicContact CD1-CE2 4.5Å; Y128-F132 VanDerWaalsContact O-CB 3.3Å; Y128-F132 WeakPolarHBondContact O-CB 3.32Å; Y128-F132 PolarHBondContact O-N 2.94Å; G130-F132 PolarHBondContact O-N 3.37Å; F132-L136 HydrophobicContact CD1-CD1 3.86Å; F132-L136 HydrophobicContact CD2-CD1 4.1Å; F132-L136 HydrophobicContact CE1-CD1 3.57Å; F132-L136 HydrophobicContact CE2-CD1 3.83Å; F132-L136 HydrophobicContact CG-CD1 4.12Å; F132-L136 HydrophobicContact CZ-CD1 3.54Å; F132-L136 WeakPolarHBondContact O-CB 3.34Å; F132-L136 WeakPolarHBondContact O-CD1 3.4Å; F132-L136 VanDerWaalsContact O-CG 3.31Å; F132-L136 WeakPolarHBondContact O-CG 3.48Å; F132-L138 HydrophobicContact CD1-CD1 4.02Å; F132-L138 HydrophobicContact CE1-CD1 4.02Å
133	A	98.7	Very high	98.4	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-69	-46.6	177.6	0	0	0	0	0	111.5	L43 P65 L129 G130 G137 L138	L43-A133 HydrophobicContact CD1-CB 4.32Å; L43-A133 HydrophobicContact CD2-CB 4.1Å; P65-A133 HydrophobicContact CG-CB 4.29Å; L129-A133 PolarHBondContact O-N 3.46Å; G130-A133 PolarHBondContact O-N 2.88Å; A133-G137 PolarHBondContact O-N 3.32Å; A133-G137 VanDerWaalsContact O-N 3.12Å; A133-L138 PolarHBondContact O-N 3.01Å
134	D	98.3	Very high	98.5	Very high	113 Å²	113	38.2 Å²	38.2	60%	0.604	20%	0.202	S	C	*	.	H	α-helix	trans	-70.6	-48.1	-174.1	-64.6	-21.4	0	0	0	111.9	G130 L136 G137	G130-D134 PolarHBondContact O-N 3.42Å; D134-L136 VanDerWaalsContact C-N 3.27Å; D134-L136 PolarHBondContact O-N 3.23Å; D134-G137 PolarHBondContact O-N 2.96Å; D134-G137 VanDerWaalsContact O-N 3.11Å
135	T	98.3	Very high	98.4	Very high	75 Å²	75	39.8 Å²	39.8	46%	0.46	21%	0.213	S	C	.	.	H	α-helix	trans	-64.5	-33.4	-178	-54.3	0	0	0	0	112	L109 D131	L109-T135 HydrophobicContact CD1-CG2 4.37Å; L109-T135 HydrophobicContact CD2-CG2 4.41Å; D131-T135 WeakPolarHBondContact O-CB 3.42Å; D131-T135 PolarHBondContact O-N 2.72Å; D131-T135 PolarHBondContact O-OG1 2.72Å
136	L	98.4	Very high	98.4	Very high	28 Å²	28	40.2 Å²	40.2	15%	0.147	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-2.4	178.9	-60.7	174.7	0	0	0	112.9	Y47 L109 F132 D134 L138	Y47-L136 HydrophobicContact CD2-CD1 3.78Å; Y47-L136 HydrophobicContact CE2-CD1 4.39Å; Y47-L136 HydrophobicContact CG-CD1 4.44Å; L109-L136 HydrophobicContact CD1-CD1 3.8Å; L109-L136 HydrophobicContact CD1-CD2 3.77Å; L109-L136 HydrophobicContact CD1-CG 3.61Å; F132-L136 HydrophobicContact CD1-CD1 3.86Å; F132-L136 HydrophobicContact CD2-CD1 4.1Å; F132-L136 HydrophobicContact CE1-CD1 3.57Å; F132-L136 HydrophobicContact CE2-CD1 3.83Å; F132-L136 HydrophobicContact CG-CD1 4.12Å; F132-L136 HydrophobicContact CZ-CD1 3.54Å; F132-L136 WeakPolarHBondContact O-CB 3.34Å; F132-L136 WeakPolarHBondContact O-CD1 3.4Å; F132-L136 VanDerWaalsContact O-CG 3.31Å; F132-L136 WeakPolarHBondContact O-CG 3.48Å; D134-L136 VanDerWaalsContact C-N 3.27Å; D134-L136 PolarHBondContact O-N 3.23Å; L136-L138 VanDerWaalsContact C-N 3.31Å; L136-L138 HydrophobicContact CB-CD2 3.9Å; L136-L138 HydrophobicContact CB-CG 4Å; L136-L138 PolarHBondContact O-N 2.85Å
137	G	98.1	Very high	98.4	Very high	47 Å²	47	42.3 Å²	42.3	49%	0.485	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	40.3	-179.3	0	0	0	0	0	113.2	A133 D134	A133-G137 PolarHBondContact O-N 3.32Å; A133-G137 VanDerWaalsContact O-N 3.12Å; D134-G137 PolarHBondContact O-N 2.96Å; D134-G137 VanDerWaalsContact O-N 3.11Å
138	L	98.6	Very high	98.3	Very high	16 Å²	16	40.5 Å²	40.5	8%	0.084	23%	0.229	C	C	.	.			trans	-68.3	138.2	-178	-56.8	-175.5	0	0	0	110.8	L43 A46 Q50 F132 A133 L136 V140	L43-L138 HydrophobicContact CB-CD1 4.35Å; L43-L138 HydrophobicContact CD2-CD1 4.16Å; A46-L138 HydrophobicContact CB-CD1 4.2Å; Q50-L138 HydrophobicContact CB-CD2 4.15Å; Q50-L138 HydrophobicContact CG-CD2 4.39Å; F132-L138 HydrophobicContact CD1-CD1 4.02Å; F132-L138 HydrophobicContact CE1-CD1 4.02Å; A133-L138 PolarHBondContact O-N 3.01Å; L136-L138 VanDerWaalsContact C-N 3.31Å; L136-L138 HydrophobicContact CB-CD2 3.9Å; L136-L138 HydrophobicContact CB-CG 4Å; L136-L138 PolarHBondContact O-N 2.85Å; L138-V140 HydrophobicContact CB-CG2 4.24Å; L138-V140 PolarHBondContact O-N 2.78Å; L138-V140 VanDerWaalsContact O-N 3.07Å
139	R	98.3	Very high	98.3	Very high	70 Å²	70	40.5 Å²	40.5	26%	0.264	23%	0.229	S	C	.	.			trans	-77.4	95.7	178.4	-70.7	-174.4	-72.6	172.8	-11.5	110.7	R54 D55 Y56 V58	R54-R139 PolarHBondContact O-NH2 3.09Å; D55-R139 IonicContact OD1-CZ 3.93Å; D55-R139 IonicContact OD1-NH1 3.98Å; D55-R139 PolarHBondContact OD1-NH1 3.47Å; D55-R139 IonicContact OD1-NH2 2.68Å; Y56-R139 HydrophobicContact CE2-CB 3.93Å; Y56-R139 PolarHBondContact O-NE 3.35Å; Y56-R139 PolarHBondContact O-NH1 2.94Å; Y56-R139 PolarHBondContact O-NH2 3.41Å; Y56-R139 PolarHBondContact OH-N 2.93Å; Y56-R139 VanDerWaalsContact OH-N 3.08Å; V58-R139 WeakPolarHBondContact CB-O 3.08Å; V58-R139 WeakPolarHBondContact CG2-O 3.2Å; V58-R139 PolarHBondContact N-O 2.89Å; V58-R139 VanDerWaalsContact N-O 3.07Å
140	V	98.6	Very high	98.2	Very high	22 Å²	22	42.1 Å²	42.1	13%	0.133	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.2	178.2	-169.9	0	0	0	0	110.4	A38 L43 V58 E60 L138 Y142	A38-V140 HydrophobicContact CB-CG1 3.76Å; L43-V140 HydrophobicContact CD2-CG2 4.1Å; V58-V140 HydrophobicContact CB-CB 4.32Å; V58-V140 HydrophobicContact CB-CG1 4.14Å; V58-V140 HydrophobicContact CB-CG2 4.07Å; V58-V140 HydrophobicContact CG1-CG1 4.14Å; V58-V140 HydrophobicContact CG1-CG2 4.46Å; V58-V140 HydrophobicContact CG2-CG2 4.3Å; E60-V140 HydrophobicContact CB-CG1 4.12Å; L138-V140 HydrophobicContact CB-CG2 4.24Å; L138-V140 PolarHBondContact O-N 2.78Å; L138-V140 VanDerWaalsContact O-N 3.07Å; V140-Y142 HydrophobicContact CB-CE1 4.07Å; V140-Y142 HydrophobicContact CB-CE2 4Å; V140-Y142 HydrophobicContact CG1-CD1 3.81Å; V140-Y142 HydrophobicContact CG1-CD2 4.48Å; V140-Y142 HydrophobicContact CG1-CE1 3.35Å; V140-Y142 HydrophobicContact CG1-CE2 4.12Å; V140-Y142 HydrophobicContact CG1-CG 4.34Å; V140-Y142 PolarHBondContact O-N 3.49Å
141	Q	98.2	Very high	98	Very high	56 Å²	56	43.4 Å²	43.4	26%	0.262	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	95.7	170.7	-161.9	-174.8	-40.3	0	0	109.8	E57 V58 F59 E60 T144	E57-Q141 HydrophobicContact CG-CB 4.42Å; V58-Q141 PolarHBondContact O-N 3.23Å; F59-Q141 HydrophobicContact CD1-CB 4.25Å; E60-Q141 PolarHBondContact N-O 3.19Å; Q141-T144 WeakPolarHBondContact CG-OG1 3.46Å; Q141-T144 PolarHBondContact NE2-OG1 2.87Å; Q141-T144 PolarHBondContact O-OG1 2.78Å
142	Y	98.6	Very high	97.8	Very high	60 Å²	60	45 Å²	45	24%	0.235	25%	0.252	C	S	.	.			trans	-72.3	169	175.6	-61.3	-66.2	0	0	0	112.9	E60 A62 P65 V140 T144	E60-Y142 HydrophobicContact CB-CD1 3.96Å; E60-Y142 HydrophobicContact CB-CE1 4.38Å; E60-Y142 HydrophobicContact CG-CD1 3.93Å; E60-Y142 HydrophobicContact CG-CE1 4.33Å; E60-Y142 CarbonylContact O-C 3.56Å; E60-Y142 VanDerWaalsContact O-C 3.29Å; E60-Y142 WeakPolarHBondContact O-CA 3.26Å; A62-Y142 WeakPolarHBondContact O-CB 3.39Å; P65-Y142 HydrophobicContact CB-CE1 4.3Å; P65-Y142 WeakPolarHBondContact CD-OH 3.4Å; P65-Y142 HydrophobicContact CG-CE1 4.41Å; V140-Y142 HydrophobicContact CB-CE1 4.07Å; V140-Y142 HydrophobicContact CB-CE2 4Å; V140-Y142 HydrophobicContact CG1-CD1 3.81Å; V140-Y142 HydrophobicContact CG1-CD2 4.48Å; V140-Y142 HydrophobicContact CG1-CE1 3.35Å; V140-Y142 HydrophobicContact CG1-CE2 4.12Å; V140-Y142 HydrophobicContact CG1-CG 4.34Å; V140-Y142 PolarHBondContact O-N 3.49Å; Y142-T144 PolarHBondContact O-N 2.96Å; Y142-T144 VanDerWaalsContact O-N 3.12Å; Y142-T144 PolarHBondContact O-OG1 3.22Å
143	N	98.1	Very high	97.5	Very high	94 Å²	94	53.2 Å²	53.2	50%	0.503	29%	0.288	S	S	.	.	S	Bend	trans	52.4	31.9	-178.4	-56.9	-65.1	0	0	0	113.2	E60 R61 A62 P63 Q168	E60-N143 PolarHBondContact O-N 3.38Å; R61-N143 WeakPolarHBondContact O-CA 3.48Å; A62-N143 PolarHBondContact O-N 2.98Å; A62-N143 VanDerWaalsContact O-N 3.1Å; P63-N143 WeakPolarHBondContact CA-OD1 3.47Å; P63-N143 WeakPolarHBondContact CB-OD1 3.38Å; N143-Q168 PolarHBondContact O-NE2 2.84Å
144	T	98.1	Very high	97.2	Very high	8 Å²	8	55.5 Å²	55.5	5%	0.049	30%	0.3	C	S	.	.			trans	-124.2	97	-175.5	-53	0	0	0	0	109.2	F59 E60 R61 Q141 Y142 I146 D167	F59-T144 HydrophobicContact CD1-CG2 3.76Å; E60-T144 CarbonylContact C-O 3.55Å; E60-T144 VanDerWaalsContact C-O 3.31Å; E60-T144 PolarHBondContact O-N 2.88Å; R61-T144 PolarHBondContact N-O 2.7Å; Q141-T144 WeakPolarHBondContact CG-OG1 3.46Å; Q141-T144 PolarHBondContact NE2-OG1 2.87Å; Q141-T144 PolarHBondContact O-OG1 2.78Å; Y142-T144 PolarHBondContact O-N 2.96Å; Y142-T144 VanDerWaalsContact O-N 3.12Å; Y142-T144 PolarHBondContact O-OG1 3.22Å; T144-I146 HydrophobicContact CG2-CD1 4.16Å; T144-D167 HydrophobicContact CG2-CB 3.91Å
145	T	98.1	Very high	96.8	Very high	59 Å²	59	62 Å²	62	36%	0.362	32%	0.316	S	S	.	.			trans	-89.7	105.4	176.9	-57.6	0	0	0	0	108.8	R61 A147 D167 Q168	R61-T145 HydrophobicContact CB-CG2 4.43Å; R61-T145 VanDerWaalsContact CB-OG1 3.28Å; R61-T145 WeakPolarHBondContact CB-OG1 3.33Å; T145-A147 PolarHBondContact O-N 3.47Å; T145-A147 VanDerWaalsContact O-N 3.14Å; T145-D167 CarbonylContact O-C 3.58Å; T145-D167 WeakPolarHBondContact O-CA 3.44Å; T145-Q168 PolarHBondContact O-N 3.39Å; T145-Q168 PolarHBondContact O-OE1 3.46Å
146	I	98.1	Very high	96.4	Very high	9 Å²	9	69.1 Å²	69.1	5%	0.046	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	112.3	169.6	-55.9	-53.6	0	0	0	108.8	L36 F59 T144 V149 L165 D167	L36-I146 HydrophobicContact CD1-CB 3.66Å; L36-I146 HydrophobicContact CD1-CG1 3.5Å; L36-I146 VanDerWaalsContact CD1-CG1 3.5Å; L36-I146 HydrophobicContact CD1-CG2 4.38Å; F59-I146 HydrophobicContact CB-CD1 4.23Å; F59-I146 HydrophobicContact CB-CG1 3.9Å; F59-I146 HydrophobicContact CD1-CD1 4.16Å; F59-I146 HydrophobicContact CG-CD1 4.05Å; F59-I146 HydrophobicContact CG-CG1 4.15Å; T144-I146 HydrophobicContact CG2-CD1 4.16Å; I146-V149 HydrophobicContact CG2-CG2 3.78Å; I146-L165 HydrophobicContact CD1-CB 4.08Å; I146-L165 HydrophobicContact CD1-CD2 4.49Å; I146-L165 HydrophobicContact CG1-CB 4.42Å; I146-L165 HydrophobicContact CG1-CD2 4.17Å; I146-L165 HydrophobicContact CG2-CB 3.83Å; I146-L165 HydrophobicContact CG2-CD2 4.25Å; I146-L165 HydrophobicContact CG2-CG 4.15Å; I146-D167 HydrophobicContact CD1-CB 4.04Å
147	A	97.3	Very high	96	Very high	53 Å²	53	68.1 Å²	68.1	44%	0.438	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-29.9	-176	0	0	0	0	0	112	T145 T166	T145-A147 PolarHBondContact O-N 3.47Å; T145-A147 VanDerWaalsContact O-N 3.14Å; A147-T166 PolarHBondContact N-O 2.92Å
148	H	97.3	Very high	95.6	Very high	73 Å²	73	69.5 Å²	69.5	34%	0.338	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	138.6	-177.3	-166.6	-105	0	0	0	111.7	T150 T166 I347 N349	H148-T150 WeakPolarHBondContact CE1-CG2 3.46Å; H148-T150 VanDerWaalsContact ND1-CG2 3.35Å; H148-T150 WeakPolarHBondContact ND1-CG2 3.45Å; H148-T166 PolarHBondContact N-O 3.48Å; H148-T166 PolarHBondContact O-N 3.05Å; H148-I347 CarbonylContact C-O 3.48Å; H148-I347 WeakPolarHBondContact CA-O 3.47Å; H148-N349 PolarHBondContact NE2-ND2 3.5Å
149	V	97.9	Very high	95.2	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.5	177.8	-172.9	0	0	0	0	109.2	I146 I164 L165 L178 I347 F348 N349 L352	I146-V149 HydrophobicContact CG2-CG2 3.78Å; V149-I164 WeakPolarHBondContact CA-O 3.33Å; V149-L165 HydrophobicContact CG1-CG 4.46Å; V149-L165 HydrophobicContact CG2-CG 4.36Å; V149-L178 HydrophobicContact CG1-CD2 3.65Å; V149-I347 HydrophobicContact CG2-CD1 4.42Å; V149-I347 PolarHBondContact N-O 2.94Å; V149-F348 HydrophobicContact CB-CD1 3.93Å; V149-F348 HydrophobicContact CB-CE1 4.4Å; V149-F348 HydrophobicContact CG1-CD1 4.24Å; V149-F348 HydrophobicContact CG2-CD1 4.09Å; V149-F348 HydrophobicContact CG2-CE1 4.13Å; V149-N349 WeakPolarHBondContact O-CB 3.44Å; V149-N349 PolarHBondContact O-N 3.49Å; V149-L352 HydrophobicContact CB-CD2 4.31Å; V149-L352 HydrophobicContact CG1-CD2 3.72Å; V149-L352 WeakPolarHBondContact O-CD1 3.41Å
150	T	96.8	Very high	94.9	Very high	34 Å²	34	67.8 Å²	67.8	21%	0.209	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	173.9	173.2	58.3	0	0	0	0	111.3	H148 I164 N349	H148-T150 WeakPolarHBondContact CE1-CG2 3.46Å; H148-T150 VanDerWaalsContact ND1-CG2 3.35Å; H148-T150 WeakPolarHBondContact ND1-CG2 3.45Å; T150-I164 PolarHBondContact N-O 3.1Å; T150-I164 PolarHBondContact O-N 3.27Å; T150-N349 HydrophobicContact CG2-CB 3.9Å
151	L	94.3	Very high	94.7	Very high	35 Å²	35	67.5 Å²	67.5	18%	0.183	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.2	165.7	61.8	95.6	0	0	0	109.5	K153 H161 Y162 S351 L352	L151-K153 HydrophobicContact CD1-CG 4.08Å; L151-H161 HydrophobicContact CB-CB 4.38Å; L151-Y162 CarbonylContact C-O 3.33Å; L151-Y162 VanDerWaalsContact CA-O 3.28Å; L151-Y162 WeakPolarHBondContact CA-O 3.31Å; L151-S351 VanDerWaalsContact CD2-C 3.43Å; L151-S351 VanDerWaalsContact CD2-O 3.24Å; L151-S351 WeakPolarHBondContact CD2-O 3.42Å; L151-L352 HydrophobicContact CD2-CD1 4.16Å; L151-L352 HydrophobicContact CD2-CG 4.26Å
152	D	93.9	Very high	94.6	Very high	90 Å²	90	65.1 Å²	65.1	48%	0.481	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.2	169.9	-176.4	25.1	0	0	0	109.4	D154 H161 Y162 I164	D152-D154 PolarHBondContact O-N 3.21Å; D152-H161 CarbonylContact O-C 3.54Å; D152-H161 WeakPolarHBondContact O-CA 3.29Å; D152-H161 WeakPolarHBondContact O-CB 3.48Å; D152-Y162 PolarHBondContact N-O 3.1Å; D152-Y162 PolarHBondContact O-N 3.09Å; D152-I164 HydrophobicContact CB-CD1 4.42Å; D152-I164 HydrophobicContact CB-CG1 4.05Å
153	K	94.1	Very high	94.5	Very high	173 Å²	173	62.2 Å²	62.2	75%	0.752	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	122.6	-173.3	-71	-176.7	-178.5	175.9	0	109.8	L151	L151-K153 HydrophobicContact CD1-CG 4.08Å
154	D	92.3	Very high	94.5	Very high	50 Å²	50	58.6 Å²	58.6	27%	0.267	28%	0.28	S	S	.	.			trans	-138	122.3	174	-172.9	-11.5	0	0	0	109.6	D152 R156 A157 G160 Y162	D152-D154 PolarHBondContact O-N 3.21Å; D154-R156 PolarHBondContact O-N 2.92Å; D154-R156 VanDerWaalsContact OD1-CB 3.31Å; D154-R156 WeakPolarHBondContact OD1-CB 3.35Å; D154-R156 WeakPolarHBondContact OD1-CG 3.41Å; D154-R156 PolarHBondContact OD1-N 2.91Å; D154-A157 HydrophobicContact CB-CB 4.39Å; D154-A157 WeakPolarHBondContact O-CB 3.23Å; D154-A157 PolarHBondContact O-N 3.23Å; D154-A157 VanDerWaalsContact O-N 3.09Å; D154-G160 PolarHBondContact N-O 3.3Å; D154-G160 VanDerWaalsContact N-O 3.11Å; D154-G160 CarbonylContact O-C 3.09Å; D154-G160 VanDerWaalsContact O-CA 3.29Å; D154-G160 WeakPolarHBondContact O-CA 3.31Å; D154-Y162 HydrophobicContact CB-CD2 4.04Å; D154-Y162 HydrophobicContact CB-CE2 3.74Å; D154-Y162 WeakPolarHBondContact OD2-CE2 3.47Å
155	R	90.3	Very high	94.5	Very high	250 Å²	250	58.2 Å²	58.2	94%	0.943	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.8	177	-67.8	-175.7	177.8	-179.8	-0	112.9	A157	R155-A157 VanDerWaalsContact C-N 3.34Å
156	R	88.8	Confident	94.5	Very high	224 Å²	224	57.1 Å²	57.1	85%	0.845	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-18.6	175.6	-59.3	177.6	179	177.9	1	112.4	D154	D154-R156 PolarHBondContact O-N 2.92Å; D154-R156 VanDerWaalsContact OD1-CB 3.31Å; D154-R156 WeakPolarHBondContact OD1-CB 3.35Å; D154-R156 WeakPolarHBondContact OD1-CG 3.41Å; D154-R156 PolarHBondContact OD1-N 2.91Å
157	A	90.1	Very high	94.4	Very high	7 Å²	7	57 Å²	57	6%	0.058	27%	0.271	C	S	.	.	S	Bend	trans	-73.9	139.7	175.3	0	0	0	0	0	110.6	D154 R155 N159 G160 H161 Y162	D154-A157 HydrophobicContact CB-CB 4.39Å; D154-A157 WeakPolarHBondContact O-CB 3.23Å; D154-A157 PolarHBondContact O-N 3.23Å; D154-A157 VanDerWaalsContact O-N 3.09Å; R155-A157 VanDerWaalsContact C-N 3.34Å; A157-N159 PolarHBondContact O-N 3.31Å; A157-N159 VanDerWaalsContact O-N 3.15Å; A157-G160 PolarHBondContact O-N 3.43Å; A157-H161 WeakPolarHBondContact CB-O 3.38Å; A157-Y162 HydrophobicContact CB-CD1 4.46Å; A157-Y162 HydrophobicContact CB-CD2 4.43Å; A157-Y162 HydrophobicContact CB-CE1 3.94Å; A157-Y162 HydrophobicContact CB-CE2 3.95Å
158	W	89.4	Confident	94.4	Very high	77 Å²	77	58.6 Å²	58.6	29%	0.292	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28.3	-177.8	71.2	-89.8	0	0	0	113.6	V177 R377 H417	W158-V177 HydrophobicContact CZ2-CG2 3.97Å; W158-R377 HydrophobicContact CH2-CG 3.96Å; W158-R377 HydrophobicContact CZ3-CG 3.99Å; W158-R377 VanDerWaalsContact CZ3-NE 3.35Å; W158-R377 PolarHBondContact O-NH1 2.98Å; W158-H417 AromaticContact CD2-CE1 3.4Å; W158-H417 AromaticContact CD2-ND1 3.84Å; W158-H417 AromaticContact CE2-CE1 3.1Å; W158-H417 AromaticContact CE2-ND1 3.66Å; W158-H417 AromaticContact CE3-CE1 3.56Å; W158-H417 AromaticContact CH2-CE1 3.23Å; W158-H417 WeakPolarHBondContact CH2-CE1 3.29Å; W158-H417 AromaticContact CH2-NE2 3.65Å; W158-H417 AromaticContact CZ2-CE1 3.06Å; W158-H417 WeakPolarHBondContact CZ2-CE1 3.5Å; W158-H417 AromaticContact CZ2-NE2 3.72Å; W158-H417 AromaticContact CZ3-CE1 3.46Å; W158-H417 VanDerWaalsContact CZ3-CE1 3.46Å; W158-H417 WeakPolarHBondContact CZ3-CE1 3.42Å; W158-H417 AromaticContact NE1-CE1 3.74Å; W158-H417 AromaticContact NE1-ND1 3.86Å
159	N	89.8	Confident	94.3	Very high	15 Å²	15	63.3 Å²	63.3	8%	0.08	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	6.6	175.5	54.4	-22.4	0	0	0	113	A157 H161 S176 R377	A157-N159 PolarHBondContact O-N 3.31Å; A157-N159 VanDerWaalsContact O-N 3.15Å; N159-H161 VanDerWaalsContact C-N 3.3Å; N159-H161 PolarHBondContact ND2-CE1 3.2Å; N159-H161 PolarHBondContact ND2-NE2 3.16Å; N159-H161 PolarHBondContact ND2-O 2.99Å; N159-H161 PolarHBondContact O-N 2.86Å; N159-H161 PolarHBondContact O-ND1 3.4Å; N159-H161 PolarHBondContact OD1-O 2.89Å; N159-S176 PolarHBondContact ND2-O 3.17Å; N159-R377 HydrophobicContact CB-CB 4.19Å; N159-R377 HydrophobicContact CB-CG 3.98Å; N159-R377 PolarHBondContact ND2-O 3.21Å
160	G	92.8	Very high	94.2	Very high	34 Å²	34	65.8 Å²	65.8	35%	0.351	31%	0.314	S	S	.	.	S	Bend	trans	76.9	7.8	179.2	0	0	0	0	0	115.4	D154 A157	D154-G160 PolarHBondContact N-O 3.3Å; D154-G160 VanDerWaalsContact N-O 3.11Å; D154-G160 CarbonylContact O-C 3.09Å; D154-G160 VanDerWaalsContact O-CA 3.29Å; D154-G160 WeakPolarHBondContact O-CA 3.31Å; A157-G160 PolarHBondContact O-N 3.43Å
161	H	94.9	Very high	94.1	Very high	17 Å²	17	69.2 Å²	69.2	8%	0.079	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	164.7	176.5	59.3	-76.8	0	0	0	112.6	L151 D152 A157 N159 F163 R377	L151-H161 HydrophobicContact CB-CB 4.38Å; D152-H161 CarbonylContact O-C 3.54Å; D152-H161 WeakPolarHBondContact O-CA 3.29Å; D152-H161 WeakPolarHBondContact O-CB 3.48Å; A157-H161 WeakPolarHBondContact CB-O 3.38Å; N159-H161 VanDerWaalsContact C-N 3.3Å; N159-H161 PolarHBondContact ND2-CE1 3.2Å; N159-H161 PolarHBondContact ND2-NE2 3.16Å; N159-H161 PolarHBondContact ND2-O 2.99Å; N159-H161 PolarHBondContact O-N 2.86Å; N159-H161 PolarHBondContact O-ND1 3.4Å; N159-H161 PolarHBondContact OD1-O 2.89Å; H161-F163 AromaticContact CD2-CE1 3.94Å; H161-F163 AromaticContact CD2-CZ 3.84Å; H161-F163 AromaticContact NE2-CE1 3.61Å; H161-F163 AromaticContact NE2-CE2 3.86Å; H161-F163 AromaticContact NE2-CZ 3.24Å; H161-F163 WeakPolarHBondContact NE2-CZ 3.29Å; H161-R377 PolarHBondContact CE1-O 3.08Å; H161-R377 PolarHBondContact NE2-O 2.95Å; H161-R377 VanDerWaalsContact NE2-O 3.13Å
162	Y	95.9	Very high	94.2	Very high	5 Å²	5	71.5 Å²	71.5	2%	0.02	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	153.1	161.7	-61.4	-72	0	0	0	110.4	R30 L151 D152 D154 A157 Q174	R30-Y162 PolarHBondContact NH1-OH 2.95Å; R30-Y162 VanDerWaalsContact NH2-CE1 3.27Å; R30-Y162 PolarHBondContact NH2-OH 2.89Å; L151-Y162 CarbonylContact C-O 3.33Å; L151-Y162 VanDerWaalsContact CA-O 3.28Å; L151-Y162 WeakPolarHBondContact CA-O 3.31Å; D152-Y162 PolarHBondContact N-O 3.1Å; D152-Y162 PolarHBondContact O-N 3.09Å; D154-Y162 HydrophobicContact CB-CD2 4.04Å; D154-Y162 HydrophobicContact CB-CE2 3.74Å; D154-Y162 WeakPolarHBondContact OD2-CE2 3.47Å; A157-Y162 HydrophobicContact CB-CD1 4.46Å; A157-Y162 HydrophobicContact CB-CD2 4.43Å; A157-Y162 HydrophobicContact CB-CE1 3.94Å; A157-Y162 HydrophobicContact CB-CE2 3.95Å; Y162-Q174 HydrophobicContact CG-CG 4.19Å; Y162-Q174 VanDerWaalsContact CG-NE2 3.26Å
163	F	97.1	Very high	94.3	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.4	168.6	-60.3	-78.6	0	0	0	109.1	H161 L165 Q174 C175 L178 G378 L379	H161-F163 AromaticContact CD2-CE1 3.94Å; H161-F163 AromaticContact CD2-CZ 3.84Å; H161-F163 AromaticContact NE2-CE1 3.61Å; H161-F163 AromaticContact NE2-CE2 3.86Å; H161-F163 AromaticContact NE2-CZ 3.24Å; H161-F163 WeakPolarHBondContact NE2-CZ 3.29Å; F163-L165 HydrophobicContact CB-CD1 4.02Å; F163-Q174 WeakPolarHBondContact O-CA 3.35Å; F163-C175 PolarHBondContact N-O 3.43Å; F163-C175 PolarHBondContact O-N 2.9Å; F163-L178 HydrophobicContact CB-CB 4.19Å; F163-L178 HydrophobicContact CD1-CB 4.04Å; F163-L178 HydrophobicContact CD1-CD2 4.04Å; F163-L178 HydrophobicContact CD2-CB 3.66Å; F163-L178 HydrophobicContact CE1-CB 4.36Å; F163-L178 HydrophobicContact CE2-CB 4.02Å; F163-L178 HydrophobicContact CG-CB 3.67Å; F163-L178 HydrophobicContact CG-CD2 4.28Å; F163-L178 HydrophobicContact CZ-CB 4.36Å; F163-G378 WeakPolarHBondContact CE2-O 3.37Å; F163-L379 HydrophobicContact CE1-CB 3.98Å; F163-L379 HydrophobicContact CE1-CD1 4.21Å; F163-L379 HydrophobicContact CE1-CG 4.42Å; F163-L379 HydrophobicContact CZ-CB 3.79Å
164	I	97.4	Very high	94.4	Very high	18 Å²	18	60.9 Å²	60.9	9%	0.092	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.6	173.8	-49.1	-61.6	0	0	0	107.7	V149 T150 D152 M172 H173 Q174	V149-I164 WeakPolarHBondContact CA-O 3.33Å; T150-I164 PolarHBondContact N-O 3.1Å; T150-I164 PolarHBondContact O-N 3.27Å; D152-I164 HydrophobicContact CB-CD1 4.42Å; D152-I164 HydrophobicContact CB-CG1 4.05Å; I164-M172 HydrophobicContact CG2-CB 4.3Å; I164-M172 HydrophobicContact CG2-CG 4.41Å; I164-M172 HydrophobicContact CG2-SD 4.35Å; I164-H173 CarbonylContact C-O 3.52Å; I164-H173 WeakPolarHBondContact CA-O 3.42Å; I164-Q174 HydrophobicContact CD1-CB 3.85Å; I164-Q174 HydrophobicContact CD1-CG 3.66Å
165	L	97.7	Very high	94.6	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120.9	178.5	-68.9	72	0	0	0	107.3	C34 F59 I146 V149 F163 M172 H173 L178	C34-L165 HydrophobicContact CB-CD1 4.35Å; C34-L165 HydrophobicContact CB-CD2 3.97Å; F59-L165 HydrophobicContact CD2-CD2 4.07Å; F59-L165 HydrophobicContact CE2-CD2 4.18Å; I146-L165 HydrophobicContact CD1-CB 4.08Å; I146-L165 HydrophobicContact CD1-CD2 4.49Å; I146-L165 HydrophobicContact CG1-CB 4.42Å; I146-L165 HydrophobicContact CG1-CD2 4.17Å; I146-L165 HydrophobicContact CG2-CB 3.83Å; I146-L165 HydrophobicContact CG2-CD2 4.25Å; I146-L165 HydrophobicContact CG2-CG 4.15Å; V149-L165 HydrophobicContact CG1-CG 4.46Å; V149-L165 HydrophobicContact CG2-CG 4.36Å; F163-L165 HydrophobicContact CB-CD1 4.02Å; L165-M172 CarbonylContact O-C 3.6Å; L165-M172 WeakPolarHBondContact O-CA 3.32Å; L165-H173 HydrophobicContact CB-CB 4.38Å; L165-H173 PolarHBondContact N-O 3.41Å; L165-H173 PolarHBondContact O-N 3.2Å; L165-L178 HydrophobicContact CD1-CD1 4.28Å; L165-L178 HydrophobicContact CD2-CD1 3.98Å
166	T	97.6	Very high	94.9	Very high	36 Å²	36	47 Å²	47	22%	0.221	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.6	176.1	-52.1	0	0	0	0	109	A147 H148 Q171	A147-T166 PolarHBondContact N-O 2.92Å; H148-T166 PolarHBondContact N-O 3.48Å; H148-T166 PolarHBondContact O-N 3.05Å; T166-Q171 WeakPolarHBondContact CA-O 3.37Å
167	D	96.9	Very high	95.3	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.032	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	176.6	177.2	85.6	-7.2	0	0	0	112.4	T144 T145 I146 K169 G170 Q171	T144-D167 HydrophobicContact CG2-CB 3.91Å; T145-D167 CarbonylContact O-C 3.58Å; T145-D167 WeakPolarHBondContact O-CA 3.44Å; I146-D167 HydrophobicContact CD1-CB 4.04Å; D167-K169 PolarHBondContact O-N 3.19Å; D167-K169 VanDerWaalsContact O-N 3.17Å; D167-K169 VanDerWaalsContact OD1-CA 3.29Å; D167-K169 WeakPolarHBondContact OD1-CA 3.49Å; D167-K169 WeakPolarHBondContact OD1-CB 3.28Å; D167-K169 PolarHBondContact OD1-N 3.44Å; D167-G170 PolarHBondContact O-N 3.32Å; D167-G170 VanDerWaalsContact O-N 3.09Å; D167-G170 PolarHBondContact OD1-N 3.48Å; D167-Q171 PolarHBondContact N-O 3.46Å; D167-Q171 WeakPolarHBondContact OD1-CB 3.48Å; D167-Q171 PolarHBondContact OD1-N 2.96Å
168	Q	96.7	Very high	95.7	Very high	87 Å²	87	36 Å²	36	41%	0.407	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.5	179.5	76.3	-77.3	9.1	0	0	114.4	N143 T145	N143-Q168 PolarHBondContact O-NE2 2.84Å; T145-Q168 PolarHBondContact O-N 3.39Å; T145-Q168 PolarHBondContact O-OE1 3.46Å
169	K	95.9	Very high	96.2	Very high	171 Å²	171	32.3 Å²	32.3	74%	0.743	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-0.3	176.8	-59.8	178	-178.2	173.6	0	112	D167 Q171	D167-K169 PolarHBondContact O-N 3.19Å; D167-K169 VanDerWaalsContact O-N 3.17Å; D167-K169 VanDerWaalsContact OD1-CA 3.29Å; D167-K169 WeakPolarHBondContact OD1-CA 3.49Å; D167-K169 WeakPolarHBondContact OD1-CB 3.28Å; D167-K169 PolarHBondContact OD1-N 3.44Å; K169-Q171 VanDerWaalsContact C-N 3.29Å
170	G	94.7	Very high	96.6	Very high	52 Å²	52	31.6 Å²	31.6	54%	0.536	17%	0.173	S	C	.	.	S	Bend	trans	79.9	7.9	-174.3	0	0	0	0	0	113.9	D167	D167-G170 PolarHBondContact O-N 3.32Å; D167-G170 VanDerWaalsContact O-N 3.09Å; D167-G170 PolarHBondContact OD1-N 3.48Å
171	Q	95.2	Very high	96.9	Very high	106 Å²	106	30.4 Å²	30.4	50%	0.495	16%	0.16	S	C	.	.			trans	-70.5	133.1	172.9	-173.4	170.2	49.1	0	0	109.5	T166 D167 K169 H173	T166-Q171 WeakPolarHBondContact CA-O 3.37Å; D167-Q171 PolarHBondContact N-O 3.46Å; D167-Q171 WeakPolarHBondContact OD1-CB 3.48Å; D167-Q171 PolarHBondContact OD1-N 2.96Å; K169-Q171 VanDerWaalsContact C-N 3.29Å; Q171-H173 PolarHBondContact OE1-CE1 3.21Å
172	M	96.3	Very high	97	Very high	84 Å²	84	31.9 Å²	31.9	41%	0.414	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.2	178.5	-63.6	-174.1	-65.5	0	0	110.6	P28 I164 L165	P28-M172 HydrophobicContact CB-CB 4.27Å; P28-M172 VanDerWaalsContact CB-O 3.28Å; P28-M172 WeakPolarHBondContact CB-O 3.45Å; P28-M172 HydrophobicContact CG-CB 4.5Å; I164-M172 HydrophobicContact CG2-CB 4.3Å; I164-M172 HydrophobicContact CG2-CG 4.41Å; I164-M172 HydrophobicContact CG2-SD 4.35Å; L165-M172 CarbonylContact O-C 3.6Å; L165-M172 WeakPolarHBondContact O-CA 3.32Å
173	H	96.4	Very high	97	Very high	17 Å²	17	32.4 Å²	32.4	8%	0.079	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140	172.8	-53.6	-89	0	0	0	108.8	F59 I164 L165 Q171	F59-H173 HydrophobicContact CE1-CB 4.37Å; F59-H173 AromaticContact CE1-CD2 3.9Å; F59-H173 AromaticContact CE1-CE1 3.72Å; F59-H173 AromaticContact CE1-CG 3.71Å; F59-H173 AromaticContact CE1-ND1 3.6Å; F59-H173 AromaticContact CE1-NE2 3.91Å; F59-H173 HydrophobicContact CE2-CB 4.41Å; F59-H173 HydrophobicContact CZ-CB 3.74Å; F59-H173 AromaticContact CZ-CG 3.58Å; F59-H173 AromaticContact CZ-ND1 3.68Å; I164-H173 CarbonylContact C-O 3.52Å; I164-H173 WeakPolarHBondContact CA-O 3.42Å; L165-H173 HydrophobicContact CB-CB 4.38Å; L165-H173 PolarHBondContact N-O 3.41Å; L165-H173 PolarHBondContact O-N 3.2Å; Q171-H173 PolarHBondContact OE1-CE1 3.21Å
174	Q	96.5	Very high	96.9	Very high	23 Å²	23	33.5 Å²	33.5	11%	0.107	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	137	-176	178.6	173.2	-28	0	0	111.3	P28 R31 Y162 F163 I164	P28-Q174 HydrophobicContact CB-CB 4.31Å; P28-Q174 HydrophobicContact CG-CB 3.96Å; R31-Q174 PolarHBondContact N-O 2.99Å; Y162-Q174 HydrophobicContact CG-CG 4.19Å; Y162-Q174 VanDerWaalsContact CG-NE2 3.26Å; F163-Q174 WeakPolarHBondContact O-CA 3.35Å; I164-Q174 HydrophobicContact CD1-CB 3.85Å; I164-Q174 HydrophobicContact CD1-CG 3.66Å
175	C	96.7	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	160.3	174	46.1	0	0	0	0	114.7	R31 C34 F163	R31-C175 HydrophobicContact CB-CB 4.27Å; R31-C175 WeakPolarHBondContact O-CA 3.04Å; C34-C175 HydrophobicContact CB-CB 4.02Å; C34-C175 WeakPolarHBondContact CB-SG 3.25Å; C34-C175 WeakPolarHBondContact SG-CB 3.47Å; C34-C175 CovalentContact SG-SG 2.03Å; C34-C175 PolarHBondContact SG-SG 2.88Å; F163-C175 PolarHBondContact N-O 3.43Å; F163-C175 PolarHBondContact O-N 2.9Å
176	S	96.1	Very high	96.6	Very high	7 Å²	7	36.7 Å²	36.7	5%	0.049	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-34.8	178.2	-54.9	0	0	0	0	112.7	R31 D32 N159	R31-S176 PolarHBondContact O-N 3.05Å; D32-S176 WeakPolarHBondContact O-CB 3.33Å; D32-S176 PolarHBondContact O-N 3.5Å; D32-S176 VanDerWaalsContact O-N 3.15Å; N159-S176 PolarHBondContact ND2-O 3.17Å
177	V	97.9	Very high	96.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132	180	179.2	0	0	0	0	109.4	D32 Y33 C34 W158 L179 G378 F380 L413	D32-V177 PolarHBondContact O-N 2.85Å; Y33-V177 WeakPolarHBondContact CA-O 3.44Å; Y33-V177 HydrophobicContact CD1-CB 3.56Å; Y33-V177 HydrophobicContact CD1-CG1 3.76Å; Y33-V177 HydrophobicContact CD1-CG2 4.15Å; Y33-V177 HydrophobicContact CE1-CB 3.73Å; Y33-V177 HydrophobicContact CE1-CG1 3.88Å; Y33-V177 HydrophobicContact CE1-CG2 3.8Å; C34-V177 PolarHBondContact N-O 3.02Å; W158-V177 HydrophobicContact CZ2-CG2 3.97Å; V177-L179 HydrophobicContact CG1-CD2 4.08Å; V177-L179 HydrophobicContact CG1-CG 4.2Å; V177-G378 WeakPolarHBondContact CA-O 3.33Å; V177-G378 WeakPolarHBondContact CG1-O 3.11Å; V177-F380 HydrophobicContact CG1-CD2 4.02Å; V177-F380 HydrophobicContact CG1-CE2 4.2Å; V177-L413 HydrophobicContact CG1-CD2 4.1Å
178	L	98.4	Very high	96.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.7	175.8	177	59.9	0	0	0	110.5	C34 V149 F163 L165 V180 F348 G378 L379 F380	C34-L178 HydrophobicContact CB-CD1 4.03Å; V149-L178 HydrophobicContact CG1-CD2 3.65Å; F163-L178 HydrophobicContact CB-CB 4.19Å; F163-L178 HydrophobicContact CD1-CB 4.04Å; F163-L178 HydrophobicContact CD1-CD2 4.04Å; F163-L178 HydrophobicContact CD2-CB 3.66Å; F163-L178 HydrophobicContact CE1-CB 4.36Å; F163-L178 HydrophobicContact CE2-CB 4.02Å; F163-L178 HydrophobicContact CG-CB 3.67Å; F163-L178 HydrophobicContact CG-CD2 4.28Å; F163-L178 HydrophobicContact CZ-CB 4.36Å; L165-L178 HydrophobicContact CD1-CD1 4.28Å; L165-L178 HydrophobicContact CD2-CD1 3.98Å; L178-V180 HydrophobicContact CD2-CG2 4.25Å; L178-V180 HydrophobicContact CG-CG2 4.03Å; L178-F348 HydrophobicContact CD2-CE1 4.4Å; L178-G378 PolarHBondContact N-O 2.78Å; L178-L379 HydrophobicContact CB-CG 4.42Å; L178-L379 HydrophobicContact CD2-CD1 4.2Å; L178-L379 HydrophobicContact CD2-CG 4.17Å; L178-L379 HydrophobicContact CG-CG 4.39Å; L178-L379 CarbonylContact O-C 3.55Å; L178-L379 WeakPolarHBondContact O-CA 3.27Å; L178-F380 PolarHBondContact O-N 2.52Å
179	L	98.8	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	101.3	-178	-60.5	164.3	0	0	0	108.7	Y33 C34 V35 L36 M45 L49 V177 A181 F380 L382 L413	Y33-L179 HydrophobicContact CD1-CD1 3.9Å; Y33-L179 HydrophobicContact CG-CD1 4.46Å; C34-L179 WeakPolarHBondContact O-CB 3.43Å; C34-L179 PolarHBondContact O-N 3.07Å; V35-L179 CarbonylContact C-O 3.55Å; V35-L179 WeakPolarHBondContact CA-O 3.25Å; V35-L179 HydrophobicContact CB-CB 4.48Å; V35-L179 HydrophobicContact CG2-CB 4.12Å; V35-L179 HydrophobicContact CG2-CD1 3.76Å; L36-L179 PolarHBondContact N-O 3.24Å; M45-L179 HydrophobicContact CE-CD2 4.21Å; M45-L179 HydrophobicContact CG-CD1 3.73Å; M45-L179 HydrophobicContact SD-CD1 4.31Å; L49-L179 HydrophobicContact CD1-CD1 3.85Å; V177-L179 HydrophobicContact CG1-CD2 4.08Å; V177-L179 HydrophobicContact CG1-CG 4.2Å; L179-A181 PolarHBondContact O-N 2.87Å; L179-F380 HydrophobicContact CD2-CB 3.9Å; L179-F380 HydrophobicContact CD2-CD2 4.31Å; L179-F380 HydrophobicContact CD2-CG 4.32Å; L179-L382 HydrophobicContact CB-CD1 4.02Å; L179-L382 HydrophobicContact CD2-CD1 4.36Å; L179-L413 HydrophobicContact CD2-CD1 3.85Å
180	V	98.6	Very high	95.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111.4	-176.1	-175.7	0	0	0	0	110.3	L36 L178 T182 F343 F348 L379 F380 I381 L382	L36-V180 HydrophobicContact CD2-CG1 4.49Å; L178-V180 HydrophobicContact CD2-CG2 4.25Å; L178-V180 HydrophobicContact CG-CG2 4.03Å; V180-T182 HydrophobicContact CG1-CG2 4.15Å; V180-F343 HydrophobicContact CG1-CE2 4.13Å; V180-F343 HydrophobicContact CG1-CZ 3.94Å; V180-F348 HydrophobicContact CG1-CZ 3.81Å; V180-F348 HydrophobicContact CG2-CE1 3.91Å; V180-F348 HydrophobicContact CG2-CZ 3.85Å; V180-L379 HydrophobicContact CG2-CD2 3.9Å; V180-L379 HydrophobicContact CG2-CG 4.46Å; V180-F380 PolarHBondContact N-O 3.31Å; V180-I381 HydrophobicContact CB-CD1 3.71Å; V180-I381 HydrophobicContact CG1-CD1 4.23Å; V180-I381 HydrophobicContact CG2-CD1 3.99Å; V180-L382 PolarHBondContact O-N 3.17Å
181	A	98.4	Very high	95.6	Very high	9 Å²	9	38.7 Å²	38.7	7%	0.074	21%	0.211	C	C	.	.			trans	-122.2	32.4	-178.9	0	0	0	0	0	112.3	V35 L36 A41 L179 G183 L382	V35-A181 HydrophobicContact CG1-CB 4.4Å; L36-A181 CarbonylContact O-C 3.57Å; L36-A181 VanDerWaalsContact O-CA 3.28Å; L36-A181 WeakPolarHBondContact O-CA 3.38Å; L36-A181 PolarHBondContact O-N 2.52Å; A41-A181 HydrophobicContact CB-CB 4.32Å; L179-A181 PolarHBondContact O-N 2.87Å; A181-G183 VanDerWaalsContact C-N 3.29Å; A181-G183 PolarHBondContact O-N 3.06Å; A181-L382 HydrophobicContact CB-CB 4.22Å
182	T	97.1	Very high	95.4	Very high	47 Å²	47	34.1 Å²	34.1	29%	0.288	19%	0.189	S	C	.	.			trans	-76.3	-10.7	-175	52.1	0	0	0	0	114.7	L36 V180	L36-T182 HydrophobicContact CB-CG2 4.28Å; L36-T182 HydrophobicContact CD2-CG2 3.59Å; L36-T182 HydrophobicContact CG-CG2 3.54Å; L36-T182 PolarHBondContact O-N 3.23Å; V180-T182 HydrophobicContact CG1-CG2 4.15Å
183	G	95.9	Very high	95.2	Very high	17 Å²	17	32.3 Å²	32.3	18%	0.175	18%	0.184	C	C	.	.			trans	69.3	-152.5	-177.1	0	0	0	0	0	113.1	A181	A181-G183 VanDerWaalsContact C-N 3.29Å; A181-G183 PolarHBondContact O-N 3.06Å
184	L	95.2	Very high	95	Very high	23 Å²	23	31.8 Å²	31.8	12%	0.12	18%	0.183	C	C	.	.			trans	-112.6	121.1	172.9	-54.2	-178.5	0	0	0	108.3	W341 F343 K363 Y364 T384 A385	L184-W341 HydrophobicContact CB-CB 3.76Å; L184-F343 HydrophobicContact CD2-CB 3.99Å; L184-F343 HydrophobicContact CD2-CD2 4.49Å; L184-K363 VanDerWaalsContact CD2-O 3.29Å; L184-K363 WeakPolarHBondContact CD2-O 3.37Å; L184-Y364 HydrophobicContact CD1-CD1 4.4Å; L184-Y364 HydrophobicContact CD1-CE1 3.75Å; L184-Y364 HydrophobicContact CD2-CD1 4.03Å; L184-Y364 HydrophobicContact CD2-CE1 4.17Å; L184-Y364 HydrophobicContact CG-CE1 4.4Å; L184-T384 HydrophobicContact CD1-CG2 4.17Å; L184-T384 HydrophobicContact CG-CG2 4.19Å; L184-A385 HydrophobicContact CD2-CB 4.49Å
185	S	93.3	Very high	94.8	Very high	33 Å²	33	32 Å²	32	23%	0.231	19%	0.187	C	C	.	.			trans	-130.7	-13.5	-168.4	55.4	0	0	0	0	114.2	W341 N342	S185-W341 WeakPolarHBondContact O-CZ3 3.32Å; S185-N342 PolarHBondContact N-O 3.24Å
186	V	95.5	Very high	94.6	Very high	52 Å²	52	38.5 Å²	38.5	32%	0.315	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	117.3	-177.6	-178.4	0	0	0	0	109.1	N188 W341 N342 D344	V186-N188 PolarHBondContact O-N 2.95Å; V186-W341 CarbonylContact O-C 3.51Å; V186-W341 WeakPolarHBondContact O-CA 3.25Å; V186-N342 HydrophobicContact CB-CB 4.3Å; V186-N342 PolarHBondContact N-O 3.36Å; V186-N342 VanDerWaalsContact N-O 3.15Å; V186-N342 PolarHBondContact O-N 3.38Å; V186-D344 HydrophobicContact CG2-CB 3.68Å
187	P	95.2	Very high	94.4	Very high	27 Å²	27	41.1 Å²	41.1	18%	0.175	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	138	175.7	-23.1	31.6	0	0	0	111.5	Q189 E202 W341	P187-Q189 PolarHBondContact O-N 3.38Å; P187-E202 HydrophobicContact CG-CB 4.49Å; P187-E202 HydrophobicContact CG-CG 4.23Å; P187-E202 WeakPolarHBondContact CG-OE1 3.27Å; P187-W341 HydrophobicContact CB-CE3 4.48Å; P187-W341 HydrophobicContact CB-CZ3 4.28Å; P187-W341 HydrophobicContact CG-CE3 4.15Å; P187-W341 HydrophobicContact CG-CH2 4.2Å; P187-W341 HydrophobicContact CG-CZ3 3.57Å
188	N	93.6	Very high	94.3	Very high	49 Å²	49	42 Å²	42	26%	0.262	24%	0.236	S	C	.	.			trans	-77.7	109.8	174.7	-175.5	40.9	0	0	0	110	V186 R337 L339 G340 N342	V186-N188 PolarHBondContact O-N 2.95Å; N188-R337 PolarHBondContact O-NH1 2.73Å; N188-L339 HydrophobicContact CB-CB 4.31Å; N188-L339 WeakPolarHBondContact CB-O 3.05Å; N188-L339 PolarHBondContact ND2-O 3.11Å; N188-L339 VanDerWaalsContact ND2-O 3.09Å; N188-G340 VanDerWaalsContact CB-O 3.31Å; N188-G340 WeakPolarHBondContact CB-O 3.22Å; N188-G340 PolarHBondContact N-O 3.34Å; N188-N342 WeakPolarHBondContact CA-ND2 3.48Å; N188-N342 PolarHBondContact OD1-ND2 2.89Å; N188-N342 VanDerWaalsContact OD1-ND2 3.11Å
189	Q	91.1	Very high	94.2	Very high	138 Å²	138	44.5 Å²	44.5	65%	0.645	25%	0.248	S	C	*	.			trans	-104.6	137.2	178.6	-62.5	178.5	17.1	0	0	109.5	P187	P187-Q189 PolarHBondContact O-N 3.38Å
190	V	89.9	Confident	94.1	Very high	35 Å²	35	44.7 Å²	44.7	21%	0.212	25%	0.25	C	C	.	.			trans	-118.5	125.2	175.3	-179.9	0	0	0	0	106.3	F192 L283 R284 L339	V190-F192 HydrophobicContact CB-CD1 4.45Å; V190-F192 HydrophobicContact CG1-CD1 4.27Å; V190-F192 VanDerWaalsContact O-CD1 3.3Å; V190-F192 WeakPolarHBondContact O-CD1 3.34Å; V190-L283 HydrophobicContact CB-CD1 4.35Å; V190-L283 HydrophobicContact CG1-CB 4.17Å; V190-L283 HydrophobicContact CG2-CD1 4.47Å; V190-R284 HydrophobicContact CG1-CG 4.32Å; V190-L339 HydrophobicContact CB-CD1 4.21Å; V190-L339 HydrophobicContact CG2-CD1 3.73Å
191	D	91.1	Very high	94	Very high	145 Å²	145	45.1 Å²	45.1	78%	0.775	25%	0.251	S	S	*	.			trans	-83.6	122.6	177.9	-174.4	19.8	0	0	0	109.4
192	F	91.6	Very high	93.9	Very high	9 Å²	9	46.5 Å²	46.5	4%	0.039	26%	0.256	C	S	.	.			trans	-157.4	158.7	175.2	64.7	-88.3	0	0	0	108.5	V190 G194 S195 V198 L219 L283 I288	V190-F192 HydrophobicContact CB-CD1 4.45Å; V190-F192 HydrophobicContact CG1-CD1 4.27Å; V190-F192 VanDerWaalsContact O-CD1 3.3Å; V190-F192 WeakPolarHBondContact O-CD1 3.34Å; F192-G194 PolarHBondContact O-N 3.17Å; F192-S195 PolarHBondContact N-OG 3.22Å; F192-S195 WeakPolarHBondContact O-CB 3.4Å; F192-S195 PolarHBondContact O-N 3.06Å; F192-S195 PolarHBondContact O-OG 3.22Å; F192-V198 HydrophobicContact CZ-CG1 4.3Å; F192-L219 HydrophobicContact CE1-CD1 4.34Å; F192-L219 HydrophobicContact CZ-CD1 3.88Å; F192-L283 VanDerWaalsContact CB-O 3.27Å; F192-L283 WeakPolarHBondContact CB-O 3.2Å; F192-L283 HydrophobicContact CD1-CB 4.1Å; F192-L283 HydrophobicContact CE1-CB 4.34Å; F192-L283 HydrophobicContact CE1-CD1 4.33Å; F192-L283 WeakPolarHBondContact CG-O 3.46Å; F192-I288 HydrophobicContact CE2-CB 4.48Å; F192-I288 HydrophobicContact CE2-CD1 3.61Å; F192-I288 HydrophobicContact CE2-CG1 3.88Å; F192-I288 HydrophobicContact CZ-CD1 3.84Å
193	P	92.7	Very high	93.8	Very high	47 Å²	47	47.9 Å²	47.9	31%	0.305	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	125	-177.1	-22.2	33	0	0	0	112.1	A287 I288 K301 L304	P193-A287 HydrophobicContact CB-CB 3.8Å; P193-A287 HydrophobicContact CG-CB 4.25Å; P193-A287 VanDerWaalsContact O-CA 3.29Å; P193-A287 WeakPolarHBondContact O-CA 3.47Å; P193-I288 PolarHBondContact O-N 3.35Å; P193-K301 HydrophobicContact CG-CG 4.38Å; P193-L304 HydrophobicContact CB-CD1 3.85Å; P193-L304 HydrophobicContact CG-CD1 4.31Å
194	G	90.8	Very high	93.8	Very high	6 Å²	6	47.2 Å²	47.2	6%	0.062	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-0.6	-176.2	0	0	0	0	0	115	F192 E196 N197 I288	F192-G194 PolarHBondContact O-N 3.17Å; G194-E196 VanDerWaalsContact C-OE2 3.3Å; G194-E196 WeakPolarHBondContact CA-OE1 3.3Å; G194-E196 WeakPolarHBondContact CA-OE2 3.1Å; G194-E196 PolarHBondContact N-OE2 2.55Å; G194-E196 PolarHBondContact O-N 3.07Å; G194-N197 WeakPolarHBondContact O-CB 3.47Å; G194-N197 PolarHBondContact O-N 2.86Å; G194-N197 PolarHBondContact O-ND2 2.64Å; G194-I288 WeakPolarHBondContact CA-O 3.33Å
195	S	92.7	Very high	93.9	Very high	26 Å²	26	47.5 Å²	47.5	18%	0.182	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-62.4	-22.4	178.6	66.3	0	0	0	0	113.9	F192 N197 V198	F192-S195 PolarHBondContact N-OG 3.22Å; F192-S195 WeakPolarHBondContact O-CB 3.4Å; F192-S195 PolarHBondContact O-N 3.06Å; F192-S195 PolarHBondContact O-OG 3.22Å; S195-N197 PolarHBondContact O-N 2.94Å; S195-V198 VanDerWaalsContact O-CG2 3.27Å; S195-V198 WeakPolarHBondContact O-CG2 3.09Å; S195-V198 PolarHBondContact O-N 3.06Å
196	E	92.8	Very high	94.1	Very high	138 Å²	138	49.6 Å²	49.6	65%	0.645	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-68.7	-19	173.8	69.1	-72.9	170.3	0	0	113.6	G194	G194-E196 VanDerWaalsContact C-OE2 3.3Å; G194-E196 WeakPolarHBondContact CA-OE1 3.3Å; G194-E196 WeakPolarHBondContact CA-OE2 3.1Å; G194-E196 PolarHBondContact N-OE2 2.55Å; G194-E196 PolarHBondContact O-N 3.07Å
197	N	92.2	Very high	94.2	Very high	61 Å²	61	50.9 Å²	50.9	33%	0.326	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-92.2	-3.3	-178.4	-57	-65.5	0	0	0	113.5	G194 S195 F296	G194-N197 WeakPolarHBondContact O-CB 3.47Å; G194-N197 PolarHBondContact O-N 2.86Å; G194-N197 PolarHBondContact O-ND2 2.64Å; S195-N197 PolarHBondContact O-N 2.94Å; N197-F296 HydrophobicContact CB-CE1 3.78Å; N197-F296 HydrophobicContact CB-CZ 4.49Å
198	V	94.4	Very high	94.3	Very high	21 Å²	21	51.5 Å²	51.5	13%	0.127	28%	0.282	C	S	.	.	S	Bend	trans	-88.7	142.4	-177.1	-45.5	0	0	0	0	111.5	F192 S195 L219 I288 V335 R337	F192-V198 HydrophobicContact CZ-CG1 4.3Å; S195-V198 VanDerWaalsContact O-CG2 3.27Å; S195-V198 WeakPolarHBondContact O-CG2 3.09Å; S195-V198 PolarHBondContact O-N 3.06Å; V198-L219 HydrophobicContact CG1-CD1 4.31Å; V198-I288 HydrophobicContact CG1-CD1 3.64Å; V198-V335 HydrophobicContact CB-CB 4.39Å; V198-V335 HydrophobicContact CB-CG1 4.28Å; V198-V335 HydrophobicContact CG1-CB 4.12Å; V198-V335 HydrophobicContact CG1-CG1 3.86Å; V198-R337 HydrophobicContact CG2-CB 3.8Å
199	E	96.4	Very high	94.5	Very high	52 Å²	52	55.1 Å²	55.1	24%	0.243	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.1	175.4	-67.3	179	-110.5	0	0	110.9	V204 R334 V335 I336 R337	E199-V204 HydrophobicContact CB-CB 4.36Å; E199-V204 HydrophobicContact CB-CG2 4.35Å; E199-R334 IonicContact OE1-CZ 3.33Å; E199-R334 IonicContact OE1-NE 2.94Å; E199-R334 PolarHBondContact OE1-NE 3.29Å; E199-R334 IonicContact OE1-NH1 2.73Å; E199-R334 PolarHBondContact OE1-NH1 3.32Å; E199-R334 IonicContact OE1-NH2 3.41Å; E199-R334 PolarHBondContact OE1-NH2 3.24Å; E199-R334 IonicContact OE2-CZ 2.78Å; E199-R334 IonicContact OE2-NH1 3.3Å; E199-R334 PolarHBondContact OE2-NH1 2.85Å; E199-R334 IonicContact OE2-NH2 2.93Å; E199-R334 PolarHBondContact OE2-NH2 3.43Å; E199-V335 PolarHBondContact N-O 2.73Å; E199-I336 CarbonylContact O-C 3.51Å; E199-I336 WeakPolarHBondContact O-CA 3.41Å; E199-R337 PolarHBondContact O-N 3.41Å
200	G	96.8	Very high	94.9	Very high	4 Å²	4	52.4 Å²	52.4	4%	0.041	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	144.9	176.8	0	0	0	0	0	112.8	E202 S203 V204	G200-E202 WeakPolarHBondContact CA-OE2 3.29Å; G200-E202 PolarHBondContact O-N 3.38Å; G200-E202 VanDerWaalsContact O-N 3.08Å; G200-S203 PolarHBondContact O-N 3.33Å; G200-S203 PolarHBondContact O-OG 2.83Å; G200-V204 WeakPolarHBondContact O-CB 3.49Å; G200-V204 PolarHBondContact O-N 3.27Å
201	Y	97.4	Very high	95.3	Very high	9 Å²	9	50.7 Å²	50.7	4%	0.035	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-30.4	167.5	170.5	-102.1	0	0	0	112.6	Y72 R74 S203 E227 R337 W341	Y72-Y201 AromaticContact CD1-CE1 3.53Å; Y72-Y201 HydrophobicContact CD1-CE1 3.53Å; Y72-Y201 HydrophobicContact CE1-CD1 4.08Å; Y72-Y201 AromaticContact CE1-CE1 3.51Å; Y72-Y201 HydrophobicContact CE1-CE1 3.51Å; R74-Y201 HydrophobicContact CB-CE2 3.97Å; R74-Y201 HydrophobicContact CG-CD2 4.22Å; R74-Y201 HydrophobicContact CG-CE1 3.93Å; R74-Y201 HydrophobicContact CG-CE2 3.59Å; R74-Y201 VanDerWaalsContact CG-CZ 3.41Å; R74-Y201 PolarHBondContact N-OH 3.49Å; R74-Y201 VanDerWaalsContact N-OH 3.1Å; R74-Y201 PolarHBondContact NH1-O 3.03Å; Y201-S203 VanDerWaalsContact C-N 3.27Å; Y201-S203 PolarHBondContact O-N 3.41Å; Y201-E227 HydrophobicContact CE2-CG 4.27Å; Y201-E227 WeakPolarHBondContact CE2-OE1 3.44Å; Y201-E227 PolarHBondContact OH-OE1 3.3Å; Y201-R337 WeakPolarHBondContact CB-O 3.28Å; Y201-R337 PolarHBondContact N-O 3.48Å; Y201-W341 AromaticContact CD1-CZ2 3.81Å; Y201-W341 HydrophobicContact CD1-CZ2 3.81Å; Y201-W341 AromaticContact CE1-CZ2 3.98Å; Y201-W341 HydrophobicContact CE1-CZ2 3.98Å
202	E	95.9	Very high	95.6	Very high	37 Å²	37	48.2 Å²	48.2	17%	0.173	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.4	174.8	61.8	-89.4	-145.8	0	0	113	R71 Y72 R74 P187 G200 R337 W341	R71-E202 PolarHBondContact NE-O 2.87Å; R71-E202 PolarHBondContact NH2-O 3.42Å; Y72-E202 WeakPolarHBondContact OH-CA 3.36Å; Y72-E202 WeakPolarHBondContact OH-CB 3.48Å; R74-E202 PolarHBondContact NH1-O 3.5Å; P187-E202 HydrophobicContact CG-CB 4.49Å; P187-E202 HydrophobicContact CG-CG 4.23Å; P187-E202 WeakPolarHBondContact CG-OE1 3.27Å; G200-E202 WeakPolarHBondContact CA-OE2 3.29Å; G200-E202 PolarHBondContact O-N 3.38Å; G200-E202 VanDerWaalsContact O-N 3.08Å; E202-R337 IonicContact OE1-CZ 3.54Å; E202-R337 IonicContact OE1-NH2 3.99Å; E202-R337 PolarHBondContact OE1-NH2 3.43Å; E202-R337 IonicContact OE2-NH2 3.01Å; E202-R337 PolarHBondContact OE2-NH2 2.73Å; E202-W341 HydrophobicContact CB-CH2 4.07Å
203	S	95	Very high	95.9	Very high	77 Å²	77	49.5 Å²	49.5	54%	0.538	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-19.4	-168.3	58.9	0	0	0	0	115.7	G200 Y201	G200-S203 PolarHBondContact O-N 3.33Å; G200-S203 PolarHBondContact O-OG 2.83Å; Y201-S203 VanDerWaalsContact C-N 3.27Å; Y201-S203 PolarHBondContact O-N 3.41Å
204	V	96.9	Very high	96.2	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	27%	0.272	C	S	.	.	S	Bend	trans	-52.7	149.6	-179.5	69.9	0	0	0	0	112	R74 E199 G200 F211 I336	R74-V204 PolarHBondContact NH1-O 2.81Å; R74-V204 VanDerWaalsContact NH1-O 3.11Å; R74-V204 PolarHBondContact NH2-O 3.31Å; E199-V204 HydrophobicContact CB-CB 4.36Å; E199-V204 HydrophobicContact CB-CG2 4.35Å; G200-V204 WeakPolarHBondContact O-CB 3.49Å; G200-V204 PolarHBondContact O-N 3.27Å; V204-F211 HydrophobicContact CG2-CE1 4.46Å; V204-F211 HydrophobicContact CG2-CZ 3.94Å; V204-I336 HydrophobicContact CB-CG2 4.24Å; V204-I336 HydrophobicContact CG1-CG2 4.09Å; V204-I336 HydrophobicContact CG2-CD1 3.95Å; V204-I336 HydrophobicContact CG2-CG1 4.07Å; V204-I336 HydrophobicContact CG2-CG2 4.21Å
205	S	97	Very high	96.6	Very high	30 Å²	30	49.6 Å²	49.6	21%	0.21	27%	0.273	C	S	.	.			trans	-58.5	148	176	-171.1	0	0	0	0	111.4	D207 D210	S205-D207 PolarHBondContact OG-N 3.03Å; S205-D210 WeakPolarHBondContact CB-OD2 3.14Å; S205-D210 PolarHBondContact OG-OD2 2.93Å
206	I	96.9	Very high	96.8	Very high	77 Å²	77	48.3 Å²	48.3	40%	0.395	27%	0.265	S	S	.	.			trans	-108.4	-6.4	173.6	58.8	169.9	0	0	0	111.8	R74 P208 N231	R74-I206 HydrophobicContact CB-CG2 3.96Å; I206-P208 WeakPolarHBondContact O-CD 2.95Å; I206-N231 PolarHBondContact O-ND2 3.1Å
207	D	97.8	Very high	97.1	Very high	78 Å²	78	41.9 Å²	41.9	42%	0.417	23%	0.234	S	C	.	.			trans	-79.2	117.5	177.4	-167.4	-17.4	0	0	0	108.9	S205 E209 D210 F211	S205-D207 PolarHBondContact OG-N 3.03Å; D207-E209 PolarHBondContact O-N 3.11Å; D207-E209 WeakPolarHBondContact OD1-CB 3.27Å; D207-E209 PolarHBondContact OD1-N 3.39Å; D207-D210 PolarHBondContact O-N 3.09Å; D207-F211 VanDerWaalsContact O-CD2 3.27Å; D207-F211 WeakPolarHBondContact O-CD2 3.49Å; D207-F211 WeakPolarHBondContact O-CE2 3.39Å
208	P	97.8	Very high	97.4	Very high	41 Å²	41	39 Å²	39	27%	0.266	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-57.3	-29.4	176.6	-23.4	34.7	0	0	0	113.3	I206 D210 F211 V235	I206-P208 WeakPolarHBondContact O-CD 2.95Å; P208-D210 PolarHBondContact O-N 2.78Å; P208-F211 PolarHBondContact O-N 3.05Å; P208-V235 HydrophobicContact CB-CG1 4.18Å; P208-V235 HydrophobicContact CB-CG2 3.95Å; P208-V235 WeakPolarHBondContact O-CG2 3.3Å
209	E	98.1	Very high	97.5	Very high	125 Å²	125	38 Å²	38	58%	0.584	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-60.2	-30.4	-178.8	-64.1	-65.4	129.8	0	0	112.3	D207 F211 I212	D207-E209 PolarHBondContact O-N 3.11Å; D207-E209 WeakPolarHBondContact OD1-CB 3.27Å; D207-E209 PolarHBondContact OD1-N 3.39Å; E209-F211 PolarHBondContact O-N 3.38Å; E209-F211 VanDerWaalsContact O-N 3.1Å; E209-I212 HydrophobicContact CB-CD1 4.37Å; E209-I212 PolarHBondContact O-N 2.9Å; E209-I212 WeakPolarHBondContact OE2-CD1 3.2Å
210	D	98.1	Very high	97.5	Very high	80 Å²	80	35.7 Å²	35.7	43%	0.428	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-68.4	-6.6	176.5	-70.1	-26.6	0	0	0	113.6	S205 D207 P208 Q214	S205-D210 WeakPolarHBondContact CB-OD2 3.14Å; S205-D210 PolarHBondContact OG-OD2 2.93Å; D207-D210 PolarHBondContact O-N 3.09Å; P208-D210 PolarHBondContact O-N 2.78Å; D210-Q214 PolarHBondContact O-NE2 3.43Å
211	F	98.5	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-118.9	4.7	-176.4	-60.3	-88.9	0	0	0	113.6	V204 D207 P208 E209 G213 Q214 V216 I232 V235 T236 I336	V204-F211 HydrophobicContact CG2-CE1 4.46Å; V204-F211 HydrophobicContact CG2-CZ 3.94Å; D207-F211 VanDerWaalsContact O-CD2 3.27Å; D207-F211 WeakPolarHBondContact O-CD2 3.49Å; D207-F211 WeakPolarHBondContact O-CE2 3.39Å; P208-F211 PolarHBondContact O-N 3.05Å; E209-F211 PolarHBondContact O-N 3.38Å; E209-F211 VanDerWaalsContact O-N 3.1Å; F211-G213 PolarHBondContact O-N 3.31Å; F211-Q214 WeakPolarHBondContact O-CB 3.18Å; F211-Q214 PolarHBondContact O-N 2.99Å; F211-V216 HydrophobicContact CD1-CG2 4.06Å; F211-I232 HydrophobicContact CB-CB 4.17Å; F211-I232 HydrophobicContact CB-CG2 4.2Å; F211-I232 HydrophobicContact CD1-CD1 4.05Å; F211-I232 HydrophobicContact CD1-CG2 4.3Å; F211-I232 HydrophobicContact CD2-CB 4.4Å; F211-I232 HydrophobicContact CD2-CG2 3.53Å; F211-I232 HydrophobicContact CE1-CD1 4.34Å; F211-I232 HydrophobicContact CE2-CG2 3.9Å; F211-I232 HydrophobicContact CG-CB 4.18Å; F211-I232 HydrophobicContact CG-CD1 4.4Å; F211-I232 HydrophobicContact CG-CG2 3.75Å; F211-I232 HydrophobicContact CZ-CG2 4.41Å; F211-V235 HydrophobicContact CB-CG2 4.14Å; F211-T236 HydrophobicContact CB-CG2 3.94Å; F211-I336 HydrophobicContact CE1-CD1 3.99Å
212	I	98.6	Very high	97.1	Very high	92 Å²	92	37.7 Å²	37.7	47%	0.472	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	125.3	-177.6	-71.4	172.7	0	0	0	111.2	E209 Q214 V235	E209-I212 HydrophobicContact CB-CD1 4.37Å; E209-I212 PolarHBondContact O-N 2.9Å; E209-I212 WeakPolarHBondContact OE2-CD1 3.2Å; I212-Q214 PolarHBondContact O-N 2.92Å; I212-V235 CarbonylContact C-O 3.55Å; I212-V235 WeakPolarHBondContact CA-O 3.46Å; I212-V235 HydrophobicContact CG1-CB 4Å; I212-V235 HydrophobicContact CG1-CG1 4.28Å
213	G	98.1	Very high	97.1	Very high	37 Å²	37	36.9 Å²	36.9	38%	0.381	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	19.7	175.2	0	0	0	0	0	114.4	F211 V235 N237	F211-G213 PolarHBondContact O-N 3.31Å; G213-V235 PolarHBondContact N-O 2.95Å; G213-N237 WeakPolarHBondContact CA-OD1 3.3Å; G213-N237 PolarHBondContact O-ND2 2.78Å
214	Q	98.4	Very high	97.1	Very high	39 Å²	39	34.5 Å²	34.5	18%	0.182	20%	0.2	C	C	.	.			trans	-97.3	150.8	-179.6	-70.7	179.6	25.7	0	0	112.5	D210 F211 I212 V216 T236 N237 D333	D210-Q214 PolarHBondContact O-NE2 3.43Å; F211-Q214 WeakPolarHBondContact O-CB 3.18Å; F211-Q214 PolarHBondContact O-N 2.99Å; I212-Q214 PolarHBondContact O-N 2.92Å; Q214-V216 HydrophobicContact CB-CG2 4.24Å; Q214-T236 WeakPolarHBondContact O-CB 3.42Å; Q214-N237 PolarHBondContact O-N 3.34Å; Q214-D333 HydrophobicContact CB-CB 3.72Å; Q214-D333 HydrophobicContact CG-CB 3.8Å
215	N	98.4	Very high	97.1	Very high	15 Å²	15	34.4 Å²	34.4	8%	0.08	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	118.6	168.2	-60.9	-11.6	0	0	0	108.8	N237 F238 V330 P331 Y332 D333 R334	N215-N237 VanDerWaalsContact OD1-CB 3.25Å; N215-N237 WeakPolarHBondContact OD1-CB 3.06Å; N215-N237 PolarHBondContact OD1-ND2 3.39Å; N215-F238 HydrophobicContact CB-CE1 3.91Å; N215-F238 HydrophobicContact CB-CE2 3.91Å; N215-F238 HydrophobicContact CB-CZ 3.53Å; N215-F238 WeakPolarHBondContact OD1-CE1 3.43Å; N215-V330 WeakPolarHBondContact ND2-CG1 3.45Å; N215-P331 WeakPolarHBondContact CB-O 3.48Å; N215-P331 PolarHBondContact ND2-O 2.85Å; N215-Y332 HydrophobicContact CB-CD1 4.31Å; N215-Y332 CarbonylContact O-C 3.58Å; N215-Y332 WeakPolarHBondContact O-CA 3.3Å; N215-D333 PolarHBondContact N-OD2 2.82Å; N215-D333 PolarHBondContact O-N 3.28Å; N215-R334 PolarHBondContact O-N 3.19Å
216	V	98.5	Very high	97.2	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.5	-172.2	-177	0	0	0	0	111.8	F211 Q214 I218 I232 T236 F238 I239 H240 I336	F211-V216 HydrophobicContact CD1-CG2 4.06Å; Q214-V216 HydrophobicContact CB-CG2 4.24Å; V216-I218 HydrophobicContact CG1-CG1 4.14Å; V216-I232 HydrophobicContact CB-CD1 4.31Å; V216-I232 HydrophobicContact CG1-CD1 3.97Å; V216-I232 HydrophobicContact CG2-CD1 4.24Å; V216-T236 HydrophobicContact CB-CG2 4.44Å; V216-T236 HydrophobicContact CG2-CG2 3.64Å; V216-F238 PolarHBondContact N-O 2.87Å; V216-I239 WeakPolarHBondContact O-CA 3.34Å; V216-H240 PolarHBondContact O-N 2.88Å; V216-I336 HydrophobicContact CG1-CD1 3.68Å; V216-I336 HydrophobicContact CG1-CG1 4.2Å
217	L	98.3	Very high	97.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.4	170.6	-179.5	63.7	0	0	0	110.2	L219 H240 L242 V298 Y332 R334 V335 I336	L217-L219 HydrophobicContact CD2-CD2 3.92Å; L217-L219 HydrophobicContact CG-CD2 3.93Å; L217-H240 CarbonylContact C-O 3.34Å; L217-H240 WeakPolarHBondContact CA-O 3.43Å; L217-H240 HydrophobicContact CD1-CB 4.06Å; L217-L242 HydrophobicContact CD1-CB 4.16Å; L217-V298 HydrophobicContact CD2-CG2 3.49Å; L217-V298 VanDerWaalsContact CD2-CG2 3.49Å; L217-Y332 HydrophobicContact CB-CD1 3.62Å; L217-Y332 HydrophobicContact CB-CD2 4.19Å; L217-Y332 HydrophobicContact CB-CE1 3.78Å; L217-Y332 HydrophobicContact CB-CE2 4.37Å; L217-Y332 HydrophobicContact CB-CG 3.81Å; L217-Y332 HydrophobicContact CD1-CE1 4.28Å; L217-Y332 HydrophobicContact CD2-CD2 4.37Å; L217-Y332 HydrophobicContact CD2-CE2 4.27Å; L217-R334 PolarHBondContact N-O 3.42Å; L217-V335 HydrophobicContact CB-CG1 4.22Å; L217-V335 HydrophobicContact CB-CG2 4.2Å; L217-V335 HydrophobicContact CD2-CG1 3.95Å; L217-V335 HydrophobicContact CD2-CG2 4.21Å; L217-V335 HydrophobicContact CG-CG1 4.14Å; L217-V335 CarbonylContact O-C 3.58Å; L217-V335 VanDerWaalsContact O-CA 3.3Å; L217-V335 WeakPolarHBondContact O-CA 3.02Å; L217-I336 PolarHBondContact O-N 3.46Å
218	I	98.2	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.2	174.7	-56.6	179.1	0	0	0	109.7	V216 A225 T228 A229 I239 H240 M241 L242 I336 C338	V216-I218 HydrophobicContact CG1-CG1 4.14Å; I218-A225 HydrophobicContact CG2-CB 3.82Å; I218-T228 HydrophobicContact CD1-CG2 4.23Å; I218-A229 HydrophobicContact CD1-CB 3.92Å; I218-I239 HydrophobicContact CD1-CG2 3.73Å; I218-I239 HydrophobicContact CG1-CG2 4.09Å; I218-H240 PolarHBondContact N-O 3.15Å; I218-M241 HydrophobicContact CB-CG 4.26Å; I218-M241 HydrophobicContact CG2-CE 4.3Å; I218-M241 CarbonylContact O-C 3.57Å; I218-M241 VanDerWaalsContact O-CA 3.26Å; I218-M241 WeakPolarHBondContact O-CA 3.22Å; I218-L242 PolarHBondContact O-N 2.85Å; I218-I336 CarbonylContact C-O 3.53Å; I218-I336 WeakPolarHBondContact CA-O 3.4Å; I218-I336 HydrophobicContact CG1-CB 4.44Å; I218-I336 HydrophobicContact CG1-CD1 4.43Å; I218-C338 HydrophobicContact CG2-CB 4.05Å
219	L	97.3	Very high	97.2	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	110.6	175.4	-47.3	-179.4	0	0	0	109.5	F192 V198 L217 L242 L283 I288 V335 I336 C338 L339	F192-L219 HydrophobicContact CE1-CD1 4.34Å; F192-L219 HydrophobicContact CZ-CD1 3.88Å; V198-L219 HydrophobicContact CG1-CD1 4.31Å; L217-L219 HydrophobicContact CD2-CD2 3.92Å; L217-L219 HydrophobicContact CG-CD2 3.93Å; L219-L242 HydrophobicContact CD2-CB 4.28Å; L219-L283 HydrophobicContact CB-CD1 4.45Å; L219-L283 HydrophobicContact CB-CD2 4.43Å; L219-L283 HydrophobicContact CD1-CD1 4.45Å; L219-L283 HydrophobicContact CD1-CD2 4.08Å; L219-L283 HydrophobicContact CD2-CD2 3.93Å; L219-L283 HydrophobicContact CG-CD2 4.37Å; L219-I288 HydrophobicContact CD1-CD1 4.44Å; L219-V335 HydrophobicContact CD1-CG1 3.92Å; L219-V335 HydrophobicContact CD2-CG1 4.07Å; L219-V335 HydrophobicContact CG-CG1 3.83Å; L219-I336 PolarHBondContact N-O 3.08Å; L219-C338 CarbonylContact O-C 3.58Å; L219-C338 VanDerWaalsContact O-C 3.32Å; L219-C338 WeakPolarHBondContact O-CA 3.3Å; L219-C338 PolarHBondContact O-N 3.26Å; L219-L339 HydrophobicContact CB-CD2 4.17Å; L219-L339 WeakPolarHBondContact O-CD2 3.38Å
220	G	95.3	Very high	97.1	Very high	3 Å²	3	22.2 Å²	22.2	3%	0.031	13%	0.131	C	C	.	.			trans	120.8	162.4	-176.9	0	0	0	0	0	112.8	A225 M241 L242	G220-A225 WeakPolarHBondContact O-CB 3.47Å; G220-M241 WeakPolarHBondContact O-CE 3.47Å; G220-L242 PolarHBondContact N-O 3.18Å
221	R	92.4	Very high	97.1	Very high	22 Å²	22	20.7 Å²	20.7	8%	0.083	12%	0.123	C	C	.	.			trans	-140	22.8	-178	-72.2	175.7	-178.3	-172.1	-10.4	112.9	F226 M241 S245 V247 L279 E280	R221-F226 HydrophobicContact CB-CE2 4.12Å; R221-F226 WeakPolarHBondContact O-CE2 3.29Å; R221-M241 HydrophobicContact CG-CB 4.35Å; R221-M241 HydrophobicContact CG-CE 4.46Å; R221-S245 PolarHBondContact NH1-O 2.9Å; R221-V247 HydrophobicContact CG-CG2 4.39Å; R221-L279 PolarHBondContact NH2-O 3.19Å; R221-E280 IonicContact CZ-OE1 3.19Å; R221-E280 VanDerWaalsContact NH1-CG 3.33Å; R221-E280 IonicContact NH1-OE1 3.5Å; R221-E280 PolarHBondContact NH1-OE1 2.66Å; R221-E280 IonicContact NH2-OE1 3.18Å
222	G	93.8	Very high	97	Very high	32 Å²	32	20.7 Å²	20.7	33%	0.33	12%	0.123	S	C	.	.	S	Bend	trans	-85.2	178.8	174.5	0	0	0	0	0	112	S224 A225 F226	G222-S224 PolarHBondContact O-N 3.19Å; G222-S224 VanDerWaalsContact O-N 3.16Å; G222-A225 WeakPolarHBondContact O-CB 3.2Å; G222-A225 PolarHBondContact O-N 3.02Å; G222-F226 PolarHBondContact O-N 2.68Å; G222-F226 VanDerWaalsContact O-N 3.15Å
223	N	95.7	Very high	96.9	Very high	21 Å²	21	18.2 Å²	18.2	11%	0.112	11%	0.11	C	C	.	.	H	α-helix	trans	-53.9	-37.3	179.3	-74.4	-67.1	0	0	0	113.4	I79 A225 F226 E227 V256 G257 D258 R260	I79-N223 HydrophobicContact CD1-CB 4.21Å; N223-A225 VanDerWaalsContact C-N 3.33Å; N223-A225 PolarHBondContact O-N 3Å; N223-F226 PolarHBondContact O-N 2.98Å; N223-E227 WeakPolarHBondContact O-CG 3.48Å; N223-E227 PolarHBondContact O-N 3.02Å; N223-V256 PolarHBondContact ND2-O 3.09Å; N223-G257 PolarHBondContact ND2-O 2.67Å; N223-D258 PolarHBondContact ND2-O 2.81Å; N223-R260 PolarHBondContact OD1-N 2.97Å
224	S	95.9	Very high	96.9	Very high	27 Å²	27	20.2 Å²	20.2	19%	0.189	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-34.2	176	-60.9	0	0	0	0	113.7	G222 E227 T228	G222-S224 PolarHBondContact O-N 3.19Å; G222-S224 VanDerWaalsContact O-N 3.16Å; S224-E227 WeakPolarHBondContact CA-OE1 3.42Å; S224-E227 VanDerWaalsContact O-CG 3.32Å; S224-E227 WeakPolarHBondContact O-CG 3.24Å; S224-T228 PolarHBondContact O-N 2.72Å; S224-T228 PolarHBondContact O-OG1 3.32Å; S224-T228 VanDerWaalsContact O-OG1 3.09Å
225	A	97.1	Very high	96.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-72.6	-43.4	178.4	0	0	0	0	0	110.6	I218 G220 G222 N223 T228 A229 M241 C338	I218-A225 HydrophobicContact CG2-CB 3.82Å; G220-A225 WeakPolarHBondContact O-CB 3.47Å; G222-A225 WeakPolarHBondContact O-CB 3.2Å; G222-A225 PolarHBondContact O-N 3.02Å; N223-A225 VanDerWaalsContact C-N 3.33Å; N223-A225 PolarHBondContact O-N 3Å; A225-T228 PolarHBondContact O-N 2.86Å; A225-A229 PolarHBondContact O-N 2.93Å; A225-M241 HydrophobicContact CB-CE 3.28Å; A225-C338 HydrophobicContact CB-CB 3.51Å
226	F	97.6	Very high	96.8	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-72.2	-34.9	179.7	-84.2	-85.8	0	0	0	113.5	R221 G222 N223 T228 A229 E230 M241 V247 L259 N263 L266 L267 L278	R221-F226 HydrophobicContact CB-CE2 4.12Å; R221-F226 WeakPolarHBondContact O-CE2 3.29Å; G222-F226 PolarHBondContact O-N 2.68Å; G222-F226 VanDerWaalsContact O-N 3.15Å; N223-F226 PolarHBondContact O-N 2.98Å; F226-T228 VanDerWaalsContact C-N 3.31Å; F226-T228 PolarHBondContact O-N 3.11Å; F226-A229 PolarHBondContact O-N 3.02Å; F226-E230 VanDerWaalsContact O-CB 3.31Å; F226-E230 WeakPolarHBondContact O-CB 3.39Å; F226-E230 PolarHBondContact O-N 3.21Å; F226-M241 HydrophobicContact CD1-SD 4.2Å; F226-M241 HydrophobicContact CD2-CE 3.8Å; F226-M241 HydrophobicContact CD2-SD 4.35Å; F226-M241 HydrophobicContact CE1-SD 3.91Å; F226-M241 HydrophobicContact CE2-CE 3.82Å; F226-M241 HydrophobicContact CE2-SD 4.07Å; F226-M241 HydrophobicContact CG-CE 4.19Å; F226-M241 HydrophobicContact CG-SD 4.41Å; F226-M241 HydrophobicContact CZ-CE 4.21Å; F226-M241 HydrophobicContact CZ-SD 3.83Å; F226-V247 HydrophobicContact CE2-CG1 4.5Å; F226-V247 HydrophobicContact CE2-CG2 4.41Å; F226-V247 HydrophobicContact CZ-CG1 4.36Å; F226-V247 HydrophobicContact CZ-CG2 4.09Å; F226-L259 HydrophobicContact CB-CD1 3.44Å; F226-L259 VanDerWaalsContact CB-CD1 3.44Å; F226-L259 HydrophobicContact CD1-CD1 3.91Å; F226-L259 HydrophobicContact CD1-CD2 3.79Å; F226-L259 HydrophobicContact CD2-CD1 3.52Å; F226-L259 HydrophobicContact CD2-CD2 3.83Å; F226-L259 HydrophobicContact CD2-CG 4.17Å; F226-L259 HydrophobicContact CE1-CD2 3.63Å; F226-L259 HydrophobicContact CE2-CD1 4.23Å; F226-L259 HydrophobicContact CE2-CD2 3.66Å; F226-L259 HydrophobicContact CE2-CG 4.41Å; F226-L259 HydrophobicContact CG-CD1 3.33Å; F226-L259 HydrophobicContact CG-CD2 3.89Å; F226-L259 HydrophobicContact CG-CG 4.23Å; F226-L259 HydrophobicContact CZ-CD2 3.57Å; F226-N263 HydrophobicContact CB-CB 3.93Å; F226-N263 WeakPolarHBondContact CB-O 3.43Å; F226-N263 VanDerWaalsContact CD1-O 3.28Å; F226-N263 WeakPolarHBondContact CD1-O 3.48Å; F226-L266 HydrophobicContact CD1-CB 4.45Å; F226-L266 HydrophobicContact CE1-CB 4.34Å; F226-L266 HydrophobicContact CE1-CD2 4.07Å; F226-L267 HydrophobicContact CE1-CD2 3.78Å; F226-L267 HydrophobicContact CE1-CG 3.95Å; F226-L267 HydrophobicContact CZ-CD2 3.87Å; F226-L267 HydrophobicContact CZ-CG 4.44Å; F226-L278 HydrophobicContact CZ-CD2 4.4Å
227	E	97.1	Very high	96.8	Very high	16 Å²	16	24.5 Å²	24.5	8%	0.075	16%	0.157	C	C	.	.	H	α-helix	trans	-66.3	-34.3	172.6	68.1	173.9	142.7	0	0	112.4	P73 H75 Y201 N223 S224 N231	P73-E227 WeakPolarHBondContact CB-OE2 3.33Å; H75-E227 PolarHBondContact CD2-O 3Å; H75-E227 IonicContact CD2-OE2 2.94Å; H75-E227 PolarHBondContact CD2-OE2 2.92Å; Y201-E227 HydrophobicContact CE2-CG 4.27Å; Y201-E227 WeakPolarHBondContact CE2-OE1 3.44Å; Y201-E227 PolarHBondContact OH-OE1 3.3Å; N223-E227 WeakPolarHBondContact O-CG 3.48Å; N223-E227 PolarHBondContact O-N 3.02Å; S224-E227 WeakPolarHBondContact CA-OE1 3.42Å; S224-E227 VanDerWaalsContact O-CG 3.32Å; S224-E227 WeakPolarHBondContact O-CG 3.24Å; E227-N231 PolarHBondContact O-N 3.15Å; E227-N231 VanDerWaalsContact O-N 3.13Å
228	T	97.8	Very high	96.8	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-68.7	-43.6	175.7	-63.7	0	0	0	0	110.5	H75 I218 S224 A225 F226 N231 I232 I336	H75-T228 WeakPolarHBondContact NE2-CA 3.27Å; I218-T228 HydrophobicContact CD1-CG2 4.23Å; S224-T228 PolarHBondContact O-N 2.72Å; S224-T228 PolarHBondContact O-OG1 3.32Å; S224-T228 VanDerWaalsContact O-OG1 3.09Å; A225-T228 PolarHBondContact O-N 2.86Å; F226-T228 VanDerWaalsContact C-N 3.31Å; F226-T228 PolarHBondContact O-N 3.11Å; T228-N231 PolarHBondContact O-N 3.09Å; T228-I232 WeakPolarHBondContact O-CG1 3.33Å; T228-I232 PolarHBondContact O-N 2.87Å; T228-I336 HydrophobicContact CG2-CD1 3.99Å
229	A	97.8	Very high	96.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.2	-50.5	173	0	0	0	0	0	111.5	I218 A225 F226 N231 I232 L233 I239 L266	I218-A229 HydrophobicContact CD1-CB 3.92Å; A225-A229 PolarHBondContact O-N 2.93Å; F226-A229 PolarHBondContact O-N 3.02Å; A229-N231 PolarHBondContact O-N 3.1Å; A229-I232 PolarHBondContact O-N 3.43Å; A229-I232 VanDerWaalsContact O-N 3.08Å; A229-L233 WeakPolarHBondContact O-CA 3.37Å; A229-L233 WeakPolarHBondContact O-CB 3.29Å; A229-L233 PolarHBondContact O-N 2.98Å; A229-I239 HydrophobicContact CB-CD1 4.26Å; A229-I239 HydrophobicContact CB-CG2 4.38Å; A229-L266 HydrophobicContact CB-CB 4.22Å; A229-L266 HydrophobicContact CB-CD1 3.64Å
230	E	96.7	Very high	96.8	Very high	76 Å²	76	26.5 Å²	26.5	36%	0.355	17%	0.166	S	C	.	.	H	α-helix	trans	-55.1	-38.2	179.8	-166.6	75	-153.1	0	0	112.4	F226 I232 G265	F226-E230 VanDerWaalsContact O-CB 3.31Å; F226-E230 WeakPolarHBondContact O-CB 3.39Å; F226-E230 PolarHBondContact O-N 3.21Å; E230-I232 PolarHBondContact O-N 3.26Å; E230-G265 WeakPolarHBondContact OE2-CA 3.37Å; E230-G265 PolarHBondContact OE2-N 3.16Å
231	N	97.1	Very high	96.9	Very high	47 Å²	47	26.4 Å²	26.4	25%	0.251	17%	0.165	S	C	.	.	H	α-helix	trans	-69.2	-30.9	-179.9	-173.5	86.3	0	0	0	113.8	H75 I206 E227 T228 A229	H75-N231 WeakPolarHBondContact CE1-CB 3.17Å; H75-N231 PolarHBondContact CE1-ND2 3.22Å; H75-N231 VanDerWaalsContact ND1-CB 3.32Å; H75-N231 WeakPolarHBondContact ND1-CB 3.3Å; H75-N231 PolarHBondContact ND1-OD1 2.97Å; I206-N231 PolarHBondContact O-ND2 3.1Å; E227-N231 PolarHBondContact O-N 3.15Å; E227-N231 VanDerWaalsContact O-N 3.13Å; T228-N231 PolarHBondContact O-N 3.09Å; A229-N231 PolarHBondContact O-N 3.1Å
232	I	97.7	Very high	97	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-110.4	-3.7	-174	72.7	-174	0	0	0	112.9	F211 V216 T228 A229 E230 G234 V235 T236 I239	F211-I232 HydrophobicContact CB-CB 4.17Å; F211-I232 HydrophobicContact CB-CG2 4.2Å; F211-I232 HydrophobicContact CD1-CD1 4.05Å; F211-I232 HydrophobicContact CD1-CG2 4.3Å; F211-I232 HydrophobicContact CD2-CB 4.4Å; F211-I232 HydrophobicContact CD2-CG2 3.53Å; F211-I232 HydrophobicContact CE1-CD1 4.34Å; F211-I232 HydrophobicContact CE2-CG2 3.9Å; F211-I232 HydrophobicContact CG-CB 4.18Å; F211-I232 HydrophobicContact CG-CD1 4.4Å; F211-I232 HydrophobicContact CG-CG2 3.75Å; F211-I232 HydrophobicContact CZ-CG2 4.41Å; V216-I232 HydrophobicContact CB-CD1 4.31Å; V216-I232 HydrophobicContact CG1-CD1 3.97Å; V216-I232 HydrophobicContact CG2-CD1 4.24Å; T228-I232 WeakPolarHBondContact O-CG1 3.33Å; T228-I232 PolarHBondContact O-N 2.87Å; A229-I232 PolarHBondContact O-N 3.43Å; A229-I232 VanDerWaalsContact O-N 3.08Å; E230-I232 PolarHBondContact O-N 3.26Å; I232-G234 PolarHBondContact O-N 2.83Å; I232-G234 VanDerWaalsContact O-N 3.15Å; I232-V235 HydrophobicContact CB-CG2 4.19Å; I232-V235 WeakPolarHBondContact O-CG2 3.47Å; I232-V235 PolarHBondContact O-N 2.93Å; I232-V235 VanDerWaalsContact O-N 3.08Å; I232-T236 HydrophobicContact CB-CG2 4.11Å; I232-T236 HydrophobicContact CD1-CG2 4.14Å; I232-T236 HydrophobicContact CG1-CG2 3.97Å; I232-T236 PolarHBondContact O-N 3.18Å; I232-T236 PolarHBondContact O-OG1 3.4Å; I232-I239 HydrophobicContact CD1-CD1 4.21Å; I232-I239 HydrophobicContact CG1-CD1 3.59Å; I232-I239 HydrophobicContact CG1-CG1 4.4Å
233	L	96.6	Very high	97	Very high	39 Å²	39	24.8 Å²	24.8	20%	0.204	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-40.9	-176.2	-169.8	67.2	0	0	0	113.2	A229 V235 I239 L266 T269 D276	A229-L233 WeakPolarHBondContact O-CA 3.37Å; A229-L233 WeakPolarHBondContact O-CB 3.29Å; A229-L233 PolarHBondContact O-N 2.98Å; L233-V235 VanDerWaalsContact C-N 3.34Å; L233-V235 PolarHBondContact O-N 2.83Å; L233-I239 HydrophobicContact CB-CD1 4.47Å; L233-I239 HydrophobicContact CD1-CD1 4.08Å; L233-L266 HydrophobicContact CD1-CB 4.41Å; L233-T269 HydrophobicContact CD1-CG2 4.05Å; L233-T269 HydrophobicContact CD2-CG2 4.06Å; L233-T269 HydrophobicContact CG-CG2 4.29Å; L233-D276 VanDerWaalsContact CD1-OD2 3.23Å; L233-D276 WeakPolarHBondContact CD1-OD2 3.31Å
234	G	96.4	Very high	96.6	Very high	80 Å²	80	33.3 Å²	33.3	83%	0.825	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.3	-175.7	0	0	0	0	0	115.7	I232	I232-G234 PolarHBondContact O-N 2.83Å; I232-G234 VanDerWaalsContact O-N 3.15Å
235	V	98.1	Very high	96.2	Very high	39 Å²	39	34.5 Å²	34.5	24%	0.236	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-21.5	-171.7	-66.2	0	0	0	0	113.8	P208 F211 I212 G213 I232 L233	P208-V235 HydrophobicContact CB-CG1 4.18Å; P208-V235 HydrophobicContact CB-CG2 3.95Å; P208-V235 WeakPolarHBondContact O-CG2 3.3Å; F211-V235 HydrophobicContact CB-CG2 4.14Å; I212-V235 CarbonylContact C-O 3.55Å; I212-V235 WeakPolarHBondContact CA-O 3.46Å; I212-V235 HydrophobicContact CG1-CB 4Å; I212-V235 HydrophobicContact CG1-CG1 4.28Å; G213-V235 PolarHBondContact N-O 2.95Å; I232-V235 HydrophobicContact CB-CG2 4.19Å; I232-V235 WeakPolarHBondContact O-CG2 3.47Å; I232-V235 PolarHBondContact O-N 2.93Å; I232-V235 VanDerWaalsContact O-N 3.08Å; L233-V235 VanDerWaalsContact C-N 3.34Å; L233-V235 PolarHBondContact O-N 2.83Å
236	T	98.3	Very high	95.9	Very high	19 Å²	19	40.4 Å²	40.4	12%	0.117	21%	0.213	C	C	.	.	S	Bend	trans	-80.4	159.3	177.2	51.1	0	0	0	0	112.7	F211 Q214 V216 I232 I239	F211-T236 HydrophobicContact CB-CG2 3.94Å; Q214-T236 WeakPolarHBondContact O-CB 3.42Å; V216-T236 HydrophobicContact CB-CG2 4.44Å; V216-T236 HydrophobicContact CG2-CG2 3.64Å; I232-T236 HydrophobicContact CB-CG2 4.11Å; I232-T236 HydrophobicContact CD1-CG2 4.14Å; I232-T236 HydrophobicContact CG1-CG2 3.97Å; I232-T236 PolarHBondContact O-N 3.18Å; I232-T236 PolarHBondContact O-OG1 3.4Å; T236-I239 HydrophobicContact CG2-CG1 4.33Å; T236-I239 VanDerWaalsContact OG1-CG1 3.29Å; T236-I239 WeakPolarHBondContact OG1-CG1 3.48Å
237	N	97.7	Very high	95.6	Very high	85 Å²	85	41.4 Å²	41.4	46%	0.455	22%	0.219	S	C	.	.	S	Bend	trans	-68.8	-44.3	169.4	-66.6	-27.9	0	0	0	111.6	G213 Q214 N215	G213-N237 WeakPolarHBondContact CA-OD1 3.3Å; G213-N237 PolarHBondContact O-ND2 2.78Å; Q214-N237 PolarHBondContact O-N 3.34Å; N215-N237 VanDerWaalsContact OD1-CB 3.25Å; N215-N237 WeakPolarHBondContact OD1-CB 3.06Å; N215-N237 PolarHBondContact OD1-ND2 3.39Å
238	F	97.8	Very high	95.5	Very high	23 Å²	23	43 Å²	43	10%	0.101	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	157.7	172.7	61.4	-98.2	0	0	0	110.4	N215 V216 H240 L275 V330 Y332	N215-F238 HydrophobicContact CB-CE1 3.91Å; N215-F238 HydrophobicContact CB-CE2 3.91Å; N215-F238 HydrophobicContact CB-CZ 3.53Å; N215-F238 WeakPolarHBondContact OD1-CE1 3.43Å; V216-F238 PolarHBondContact N-O 2.87Å; F238-H240 AromaticContact CD2-CD2 3.8Å; F238-H240 AromaticContact CD2-CE1 3.79Å; F238-H240 AromaticContact CD2-NE2 3.68Å; F238-H240 AromaticContact CE2-CE1 3.68Å; F238-H240 AromaticContact CE2-ND1 3.79Å; F238-L275 HydrophobicContact CB-CB 3.91Å; F238-V330 HydrophobicContact CE1-CB 4.49Å; F238-V330 HydrophobicContact CE1-CG1 4Å; F238-V330 HydrophobicContact CZ-CB 4.06Å; F238-V330 HydrophobicContact CZ-CG1 3.82Å; F238-Y332 HydrophobicContact CE2-CD1 4.1Å; F238-Y332 AromaticContact CE2-CE1 3.67Å; F238-Y332 HydrophobicContact CE2-CE1 3.67Å
239	I	98.3	Very high	95.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.3	176.5	-52.4	173.6	0	0	0	108.5	V216 I218 A229 I232 L233 T236 L266 D276 G277	V216-I239 WeakPolarHBondContact O-CA 3.34Å; I218-I239 HydrophobicContact CD1-CG2 3.73Å; I218-I239 HydrophobicContact CG1-CG2 4.09Å; A229-I239 HydrophobicContact CB-CD1 4.26Å; A229-I239 HydrophobicContact CB-CG2 4.38Å; I232-I239 HydrophobicContact CD1-CD1 4.21Å; I232-I239 HydrophobicContact CG1-CD1 3.59Å; I232-I239 HydrophobicContact CG1-CG1 4.4Å; L233-I239 HydrophobicContact CB-CD1 4.47Å; L233-I239 HydrophobicContact CD1-CD1 4.08Å; T236-I239 HydrophobicContact CG2-CG1 4.33Å; T236-I239 VanDerWaalsContact OG1-CG1 3.29Å; T236-I239 WeakPolarHBondContact OG1-CG1 3.48Å; I239-L266 HydrophobicContact CB-CD1 3.66Å; I239-L266 HydrophobicContact CD1-CD1 4.31Å; I239-L266 HydrophobicContact CG2-CD1 3.52Å; I239-D276 PolarHBondContact N-OD1 3.12Å; I239-D276 WeakPolarHBondContact O-CA 3.03Å; I239-G277 PolarHBondContact O-N 3.19Å
240	H	97.8	Very high	95.1	Very high	24 Å²	24	45.6 Å²	45.6	11%	0.111	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.5	169.3	-69.4	168.6	0	0	0	110.4	V216 L217 I218 F238 L275 G277 L279 Y332	V216-H240 PolarHBondContact O-N 2.88Å; L217-H240 CarbonylContact C-O 3.34Å; L217-H240 WeakPolarHBondContact CA-O 3.43Å; L217-H240 HydrophobicContact CD1-CB 4.06Å; I218-H240 PolarHBondContact N-O 3.15Å; F238-H240 AromaticContact CD2-CD2 3.8Å; F238-H240 AromaticContact CD2-CE1 3.79Å; F238-H240 AromaticContact CD2-NE2 3.68Å; F238-H240 AromaticContact CE2-CE1 3.68Å; F238-H240 AromaticContact CE2-ND1 3.79Å; H240-L275 PolarHBondContact NE2-O 3.12Å; H240-G277 CarbonylContact C-O 3.56Å; H240-G277 WeakPolarHBondContact CA-O 3.36Å; H240-G277 PolarHBondContact CD2-N 2.99Å; H240-L279 HydrophobicContact CB-CD1 3.77Å; H240-Y332 HydrophobicContact CB-CE1 3.99Å; H240-Y332 AromaticContact ND1-CE1 3.74Å; H240-Y332 AromaticContact ND1-CZ 3.69Å; H240-Y332 PolarHBondContact ND1-OH 3.24Å
241	M	97.1	Very high	94.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.4	174.7	-52.6	-177.1	69.9	0	0	111.6	I218 G220 R221 A225 F226 L266 G277 L278 L279	I218-M241 HydrophobicContact CB-CG 4.26Å; I218-M241 HydrophobicContact CG2-CE 4.3Å; I218-M241 CarbonylContact O-C 3.57Å; I218-M241 VanDerWaalsContact O-CA 3.26Å; I218-M241 WeakPolarHBondContact O-CA 3.22Å; G220-M241 WeakPolarHBondContact O-CE 3.47Å; R221-M241 HydrophobicContact CG-CB 4.35Å; R221-M241 HydrophobicContact CG-CE 4.46Å; A225-M241 HydrophobicContact CB-CE 3.28Å; F226-M241 HydrophobicContact CD1-SD 4.2Å; F226-M241 HydrophobicContact CD2-CE 3.8Å; F226-M241 HydrophobicContact CD2-SD 4.35Å; F226-M241 HydrophobicContact CE1-SD 3.91Å; F226-M241 HydrophobicContact CE2-CE 3.82Å; F226-M241 HydrophobicContact CE2-SD 4.07Å; F226-M241 HydrophobicContact CG-CE 4.19Å; F226-M241 HydrophobicContact CG-SD 4.41Å; F226-M241 HydrophobicContact CZ-CE 4.21Å; F226-M241 HydrophobicContact CZ-SD 3.83Å; M241-L266 HydrophobicContact CG-CD1 4.03Å; M241-L266 HydrophobicContact CG-CD2 4.02Å; M241-L266 HydrophobicContact SD-CD1 3.94Å; M241-L266 HydrophobicContact SD-CD2 3.5Å; M241-L266 WeakPolarHBondContact SD-CD2 3.24Å; M241-L266 HydrophobicContact SD-CG 4.28Å; M241-G277 PolarHBondContact N-O 3.2Å; M241-L278 HydrophobicContact CB-CD2 3.76Å; M241-L278 HydrophobicContact CG-CD2 4.12Å; M241-L278 HydrophobicContact SD-CD2 4.02Å; M241-L279 PolarHBondContact O-N 3.01Å
242	L	95.2	Very high	94.6	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.8	-177.9	-170	142.9	0	0	0	111.7	L217 I218 L219 G220 L279 L283 L286 M328	L217-L242 HydrophobicContact CD1-CB 4.16Å; I218-L242 PolarHBondContact O-N 2.85Å; L219-L242 HydrophobicContact CD2-CB 4.28Å; G220-L242 PolarHBondContact N-O 3.18Å; L242-L279 WeakPolarHBondContact CA-O 3.33Å; L242-L279 HydrophobicContact CD1-CB 4.41Å; L242-L283 HydrophobicContact CD2-CD2 3.5Å; L242-L283 HydrophobicContact CD2-CG 4.4Å; L242-L286 HydrophobicContact CD1-CD1 3.56Å; L242-L286 HydrophobicContact CD2-CD1 3.55Å; L242-L286 HydrophobicContact CG-CD1 4.2Å; L242-M328 HydrophobicContact CD1-CE 4.08Å; L242-M328 HydrophobicContact CD1-SD 3.78Å
243	S	93.3	Very high	94.3	Very high	19 Å²	19	44.4 Å²	44.4	13%	0.133	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	155.4	174.9	-163.7	0	0	0	0	112.5	S245 L279 E280 S281	S243-S245 PolarHBondContact O-N 2.72Å; S243-L279 PolarHBondContact N-O 3.49Å; S243-L279 VanDerWaalsContact N-O 3.11Å; S243-E280 VanDerWaalsContact O-CA 3.28Å; S243-E280 WeakPolarHBondContact O-CA 3.31Å; S243-S281 CarbonylContact C-O 3.6Å; S243-S281 PolarHBondContact O-N 2.96Å
244	R	88.4	Confident	94	Very high	200 Å²	200	45 Å²	45	76%	0.755	23%	0.232	S	C	*	.	S	Bend	trans	-64	-2.3	178.3	69.3	-179.2	175	119.7	-3.3	116.3	S281	R244-S281 WeakPolarHBondContact CA-O 3.18Å; R244-S281 PolarHBondContact N-O 2.86Å
245	S	87.2	Confident	93.9	Very high	51 Å²	51	41.9 Å²	41.9	36%	0.357	20%	0.195	S	C	.	.	S	Bend	trans	-153.3	155.3	-175.3	64.4	0	0	0	0	112.6	R221 S243	R221-S245 PolarHBondContact NH1-O 2.9Å; S243-S245 PolarHBondContact O-N 2.72Å
246	R	90.2	Very high	93.6	Very high	125 Å²	125	40.8 Å²	40.8	47%	0.472	19%	0.189	S	C	.	.			trans	-45.6	149.9	168.3	68	178	-82	162.5	3.5	114.4	R248 E280 P506 D507	R246-R248 PolarHBondContact O-N 2.93Å; R246-E280 WeakPolarHBondContact CA-OE1 3.37Å; R246-E280 PolarHBondContact N-OE1 2.88Å; R246-E280 PolarHBondContact N-OE2 3.24Å; R246-P506 PolarHBondContact NE-O 2.9Å; R246-P506 PolarHBondContact NH2-O 3.43Å; R246-D507 VanDerWaalsContact NH1-CA 3.31Å
247	V	92.3	Very high	93.2	Very high	21 Å²	21	41 Å²	41	13%	0.127	20%	0.195	C	C	.	.			trans	-59.6	137.5	167.2	178.3	0	0	0	0	108.8	R221 F226 L249 L259 L267 L278	R221-V247 HydrophobicContact CG-CG2 4.39Å; F226-V247 HydrophobicContact CE2-CG1 4.5Å; F226-V247 HydrophobicContact CE2-CG2 4.41Å; F226-V247 HydrophobicContact CZ-CG1 4.36Å; F226-V247 HydrophobicContact CZ-CG2 4.09Å; V247-L249 HydrophobicContact CG1-CD2 3.74Å; V247-L249 HydrophobicContact CG1-CG 4.47Å; V247-L259 HydrophobicContact CG1-CB 4.46Å; V247-L259 HydrophobicContact CG1-CD2 3.93Å; V247-L267 HydrophobicContact CG2-CD2 4.47Å; V247-L278 HydrophobicContact CG2-CD1 3.66Å; V247-L278 HydrophobicContact CG2-CD2 4.47Å
248	R	93.7	Very high	93.1	Very high	50 Å²	50	37.5 Å²	37.5	19%	0.189	18%	0.177	C	C	.	.			trans	-116	128.8	174.2	-60.6	170.1	65.6	106.3	5.1	107.3	R246 T253 D258 L259 P506	R246-R248 PolarHBondContact O-N 2.93Å; R248-T253 HydrophobicContact CB-CG2 4.28Å; R248-D258 HydrophobicContact CB-CB 3.87Å; R248-D258 VanDerWaalsContact CB-CG 3.44Å; R248-D258 WeakPolarHBondContact CB-OD2 3.35Å; R248-D258 IonicContact CZ-OD2 3.82Å; R248-D258 IonicContact NE-OD1 2.75Å; R248-D258 PolarHBondContact NE-OD1 2.91Å; R248-D258 IonicContact NE-OD2 3.82Å; R248-D258 PolarHBondContact NE-OD2 3.4Å; R248-D258 IonicContact NH2-OD2 2.92Å; R248-D258 WeakPolarHBondContact O-CB 3.45Å; R248-L259 WeakPolarHBondContact O-CB 3.44Å; R248-L259 PolarHBondContact O-N 3.03Å; R248-P506 HydrophobicContact CG-CB 3.97Å; R248-P506 VanDerWaalsContact CZ-CG 3.5Å; R248-P506 VanDerWaalsContact NH1-CG 3.29Å
249	L	94.4	Very high	93	Very high	47 Å²	47	36.5 Å²	36.5	25%	0.246	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-101.3	126.8	-176	-54.9	169.5	0	0	0	108.2	V247 W251 A252 T253 L259 L267	V247-L249 HydrophobicContact CG1-CD2 3.74Å; V247-L249 HydrophobicContact CG1-CG 4.47Å; L249-W251 HydrophobicContact CB-CD2 3.97Å; L249-W251 HydrophobicContact CB-CE3 4.25Å; L249-W251 HydrophobicContact CB-CH2 3.95Å; L249-W251 HydrophobicContact CB-CZ2 3.75Å; L249-W251 HydrophobicContact CB-CZ3 4.21Å; L249-W251 HydrophobicContact CD1-CH2 4.22Å; L249-W251 HydrophobicContact CD1-CZ2 3.56Å; L249-W251 HydrophobicContact CD2-CH2 3.62Å; L249-W251 HydrophobicContact CD2-CZ2 3.87Å; L249-W251 HydrophobicContact CD2-CZ3 4.34Å; L249-W251 HydrophobicContact CG-CH2 4.11Å; L249-W251 HydrophobicContact CG-CZ2 3.89Å; L249-W251 PolarHBondContact O-N 3.22Å; L249-A252 HydrophobicContact CB-CB 4.17Å; L249-A252 WeakPolarHBondContact O-CA 3.24Å; L249-A252 WeakPolarHBondContact O-CB 3.44Å; L249-A252 PolarHBondContact O-N 3.09Å; L249-T253 PolarHBondContact O-N 2.9Å; L249-T253 PolarHBondContact O-OG1 2.91Å; L249-L259 HydrophobicContact CD2-CB 4.45Å; L249-L259 HydrophobicContact CD2-CD2 4.05Å; L249-L267 HydrophobicContact CD2-CD1 3.85Å
250	S	93.8	Very high	92.8	Very high	9 Å²	9	38 Å²	38	6%	0.063	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-30	-174.8	54.8	0	0	0	0	113.7	H254 Y255 L259 R260	S250-H254 WeakPolarHBondContact O-CA 3.33Å; S250-H254 PolarHBondContact O-N 3.15Å; S250-Y255 VanDerWaalsContact CB-O 3.3Å; S250-Y255 WeakPolarHBondContact CB-O 3.48Å; S250-Y255 PolarHBondContact O-N 2.57Å; S250-L259 VanDerWaalsContact CB-O 3.25Å; S250-L259 WeakPolarHBondContact CB-O 3.46Å; S250-L259 PolarHBondContact N-O 3Å; S250-L259 PolarHBondContact OG-O 3.05Å; S250-R260 WeakPolarHBondContact OG-CD 3.33Å
251	W	90.1	Very high	92.5	Very high	78 Å²	78	39.7 Å²	39.7	30%	0.295	20%	0.196	S	C	.	.	H	α-helix	trans	-75.3	-24.8	174.1	60.3	88.3	0	0	0	113	L249 A261 N264 F511	L249-W251 HydrophobicContact CB-CD2 3.97Å; L249-W251 HydrophobicContact CB-CE3 4.25Å; L249-W251 HydrophobicContact CB-CH2 3.95Å; L249-W251 HydrophobicContact CB-CZ2 3.75Å; L249-W251 HydrophobicContact CB-CZ3 4.21Å; L249-W251 HydrophobicContact CD1-CH2 4.22Å; L249-W251 HydrophobicContact CD1-CZ2 3.56Å; L249-W251 HydrophobicContact CD2-CH2 3.62Å; L249-W251 HydrophobicContact CD2-CZ2 3.87Å; L249-W251 HydrophobicContact CD2-CZ3 4.34Å; L249-W251 HydrophobicContact CG-CH2 4.11Å; L249-W251 HydrophobicContact CG-CZ2 3.89Å; L249-W251 PolarHBondContact O-N 3.22Å; W251-A261 HydrophobicContact CE3-CB 4.05Å; W251-A261 HydrophobicContact CH2-CB 4.35Å; W251-A261 HydrophobicContact CZ3-CB 3.62Å; W251-N264 WeakPolarHBondContact CH2-ND2 3.49Å; W251-F511 AromaticContact CD1-CE2 3.98Å; W251-F511 AromaticContact CD1-CZ 3.81Å; W251-F511 AromaticContact NE1-CE2 3.76Å; W251-F511 AromaticContact NE1-CZ 3.91Å
252	A	92	Very high	92.4	Very high	6 Å²	6	41 Å²	41	5%	0.05	20%	0.203	C	C	.	.	H	α-helix	trans	-80.9	-36.8	174.5	0	0	0	0	0	111.9	L249 S504 G505 V510	L249-A252 HydrophobicContact CB-CB 4.17Å; L249-A252 WeakPolarHBondContact O-CA 3.24Å; L249-A252 WeakPolarHBondContact O-CB 3.44Å; L249-A252 PolarHBondContact O-N 3.09Å; A252-S504 CarbonylContact O-C 3.54Å; A252-S504 WeakPolarHBondContact O-CA 3.27Å; A252-S504 VanDerWaalsContact O-CB 3.27Å; A252-S504 WeakPolarHBondContact O-CB 3.39Å; A252-G505 PolarHBondContact O-N 3.38Å; A252-V510 HydrophobicContact CB-CG1 4.13Å; A252-V510 HydrophobicContact CB-CG2 4.13Å
253	T	92.1	Very high	92.3	Very high	15 Å²	15	41.3 Å²	41.3	9%	0.092	21%	0.205	C	C	.	.	H	α-helix	trans	-95.9	-7.8	-176.3	63.7	0	0	0	0	114.5	R248 L249 Y255 D258 P506	R248-T253 HydrophobicContact CB-CG2 4.28Å; L249-T253 PolarHBondContact O-N 2.9Å; L249-T253 PolarHBondContact O-OG1 2.91Å; T253-Y255 PolarHBondContact O-N 3.32Å; T253-Y255 VanDerWaalsContact O-N 3.11Å; T253-Y255 PolarHBondContact OG1-N 3.22Å; T253-D258 WeakPolarHBondContact CB-OD2 3.45Å; T253-D258 VanDerWaalsContact CG2-OD2 3.31Å; T253-D258 WeakPolarHBondContact CG2-OD2 3.47Å; T253-D258 PolarHBondContact OG1-OD2 3.22Å; T253-P506 HydrophobicContact CG2-CB 4.03Å; T253-P506 HydrophobicContact CG2-CG 4.5Å
254	H	90.5	Very high	92.4	Very high	52 Å²	52	42.3 Å²	42.3	24%	0.241	21%	0.208	C	C	.	.	S	Bend	trans	50.4	26.2	-167.1	-58.8	116.2	0	0	0	114.3	S250 Y499 F503 S504	S250-H254 WeakPolarHBondContact O-CA 3.33Å; S250-H254 PolarHBondContact O-N 3.15Å; H254-Y499 HydrophobicContact CB-CE2 4.27Å; H254-F503 AromaticContact CE1-CD1 3.43Å; H254-F503 VanDerWaalsContact CE1-CD1 3.43Å; H254-F503 WeakPolarHBondContact CE1-CD1 3.46Å; H254-F503 AromaticContact CE1-CE1 3.03Å; H254-F503 WeakPolarHBondContact CE1-CE1 3.39Å; H254-F503 AromaticContact CE1-CZ 3.94Å; H254-F503 AromaticContact ND1-CD1 4Å; H254-F503 AromaticContact ND1-CE1 3.9Å; H254-F503 AromaticContact NE2-CE1 3.61Å; H254-S504 WeakPolarHBondContact CE1-CB 3.09Å; H254-S504 WeakPolarHBondContact ND1-CB 3.11Å; H254-S504 PolarHBondContact ND1-OG 3.22Å
255	Y	93.1	Very high	92.7	Very high	14 Å²	14	33.7 Å²	33.7	6%	0.055	18%	0.182	C	C	.	.			trans	-119.5	112.1	-178.9	178.2	-116.7	0	0	0	110.6	S250 T253 G257 D258 H387 Y391 R392 F398	S250-Y255 VanDerWaalsContact CB-O 3.3Å; S250-Y255 WeakPolarHBondContact CB-O 3.48Å; S250-Y255 PolarHBondContact O-N 2.57Å; T253-Y255 PolarHBondContact O-N 3.32Å; T253-Y255 VanDerWaalsContact O-N 3.11Å; T253-Y255 PolarHBondContact OG1-N 3.22Å; Y255-G257 VanDerWaalsContact CE1-CA 3.46Å; Y255-G257 PolarHBondContact O-N 3.45Å; Y255-D258 HydrophobicContact CD1-CB 4.29Å; Y255-D258 WeakPolarHBondContact O-CB 3.43Å; Y255-D258 PolarHBondContact O-N 3.28Å; Y255-H387 AromaticContact CE2-CE1 3.93Å; Y255-H387 AromaticContact CE2-NE2 3.18Å; Y255-H387 WeakPolarHBondContact CE2-NE2 3.18Å; Y255-H387 AromaticContact CZ-NE2 3.58Å; Y255-H387 PolarHBondContact OH-NE2 2.93Å; Y255-Y391 HydrophobicContact CE1-CE2 4.4Å; Y255-Y391 WeakPolarHBondContact OH-CE2 3.39Å; Y255-R392 HydrophobicContact CD1-CB 4.43Å; Y255-R392 HydrophobicContact CD1-CG 3.67Å; Y255-R392 HydrophobicContact CE1-CG 3.63Å; Y255-R392 HydrophobicContact CG-CB 4.42Å; Y255-R392 HydrophobicContact CG-CG 4.13Å; Y255-F398 HydrophobicContact CD2-CE2 4.34Å; Y255-F398 AromaticContact CE2-CE2 3.82Å; Y255-F398 HydrophobicContact CE2-CE2 3.82Å; Y255-F398 HydrophobicContact CE2-CZ 4.1Å
256	V	91.6	Very high	93.1	Very high	16 Å²	16	31.3 Å²	31.3	10%	0.097	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.3	-174.9	179	0	0	0	0	113.1	W99 N223 D258 F398	W99-V256 HydrophobicContact CH2-CG2 3.73Å; W99-V256 HydrophobicContact CZ3-CB 4.49Å; W99-V256 HydrophobicContact CZ3-CG1 4Å; W99-V256 HydrophobicContact CZ3-CG2 3.58Å; N223-V256 PolarHBondContact ND2-O 3.09Å; V256-D258 VanDerWaalsContact C-N 3.32Å; V256-F398 HydrophobicContact CB-CD1 4.19Å; V256-F398 HydrophobicContact CB-CD2 3.93Å; V256-F398 HydrophobicContact CB-CE1 3.9Å; V256-F398 HydrophobicContact CB-CE2 3.65Å; V256-F398 HydrophobicContact CB-CG 4.23Å; V256-F398 HydrophobicContact CB-CZ 3.66Å; V256-F398 HydrophobicContact CG1-CD1 3.85Å; V256-F398 HydrophobicContact CG1-CD2 4.43Å; V256-F398 HydrophobicContact CG1-CE1 3.74Å; V256-F398 HydrophobicContact CG1-CE2 4.37Å; V256-F398 HydrophobicContact CG1-CG 4.22Å; V256-F398 HydrophobicContact CG1-CZ 4.06Å; V256-F398 HydrophobicContact CG2-CD2 4.49Å
257	G	91.7	Very high	93.3	Very high	25 Å²	25	27 Å²	27	26%	0.258	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-15	178.2	0	0	0	0	0	114.1	N223 Y255	N223-G257 PolarHBondContact ND2-O 2.67Å; Y255-G257 VanDerWaalsContact CE1-CA 3.46Å; Y255-G257 PolarHBondContact O-N 3.45Å
258	D	94.4	Very high	93.5	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.059	17%	0.17	C	C	.	.	S	Bend	trans	-80	173.4	166.7	-70.4	-20.5	0	0	0	109.6	N223 R248 T253 Y255 V256 R260 R392	N223-D258 PolarHBondContact ND2-O 2.81Å; R248-D258 HydrophobicContact CB-CB 3.87Å; R248-D258 VanDerWaalsContact CB-CG 3.44Å; R248-D258 WeakPolarHBondContact CB-OD2 3.35Å; R248-D258 IonicContact CZ-OD2 3.82Å; R248-D258 IonicContact NE-OD1 2.75Å; R248-D258 PolarHBondContact NE-OD1 2.91Å; R248-D258 IonicContact NE-OD2 3.82Å; R248-D258 PolarHBondContact NE-OD2 3.4Å; R248-D258 IonicContact NH2-OD2 2.92Å; R248-D258 WeakPolarHBondContact O-CB 3.45Å; T253-D258 WeakPolarHBondContact CB-OD2 3.45Å; T253-D258 VanDerWaalsContact CG2-OD2 3.31Å; T253-D258 WeakPolarHBondContact CG2-OD2 3.47Å; T253-D258 PolarHBondContact OG1-OD2 3.22Å; Y255-D258 HydrophobicContact CD1-CB 4.29Å; Y255-D258 WeakPolarHBondContact O-CB 3.43Å; Y255-D258 PolarHBondContact O-N 3.28Å; V256-D258 VanDerWaalsContact C-N 3.32Å; D258-R260 PolarHBondContact O-N 2.95Å; D258-R392 IonicContact OD1-NE 3.53Å; D258-R392 IonicContact OD1-NH2 3.71Å
259	L	95.3	Very high	93.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-60.4	128.2	-169.3	177.1	60	0	0	0	112.5	F226 V247 R248 L249 S250 N263 L267	F226-L259 HydrophobicContact CB-CD1 3.44Å; F226-L259 VanDerWaalsContact CB-CD1 3.44Å; F226-L259 HydrophobicContact CD1-CD1 3.91Å; F226-L259 HydrophobicContact CD1-CD2 3.79Å; F226-L259 HydrophobicContact CD2-CD1 3.52Å; F226-L259 HydrophobicContact CD2-CD2 3.83Å; F226-L259 HydrophobicContact CD2-CG 4.17Å; F226-L259 HydrophobicContact CE1-CD2 3.63Å; F226-L259 HydrophobicContact CE2-CD1 4.23Å; F226-L259 HydrophobicContact CE2-CD2 3.66Å; F226-L259 HydrophobicContact CE2-CG 4.41Å; F226-L259 HydrophobicContact CG-CD1 3.33Å; F226-L259 HydrophobicContact CG-CD2 3.89Å; F226-L259 HydrophobicContact CG-CG 4.23Å; F226-L259 HydrophobicContact CZ-CD2 3.57Å; V247-L259 HydrophobicContact CG1-CB 4.46Å; V247-L259 HydrophobicContact CG1-CD2 3.93Å; R248-L259 WeakPolarHBondContact O-CB 3.44Å; R248-L259 PolarHBondContact O-N 3.03Å; L249-L259 HydrophobicContact CD2-CB 4.45Å; L249-L259 HydrophobicContact CD2-CD2 4.05Å; S250-L259 VanDerWaalsContact CB-O 3.25Å; S250-L259 WeakPolarHBondContact CB-O 3.46Å; S250-L259 PolarHBondContact N-O 3Å; S250-L259 PolarHBondContact OG-O 3.05Å; L259-N263 HydrophobicContact CD1-CB 4.43Å; L259-L267 HydrophobicContact CD2-CD1 3.8Å; L259-L267 HydrophobicContact CD2-CG 4.28Å
260	R	94.8	Very high	93.6	Very high	32 Å²	32	31.5 Å²	31.5	12%	0.121	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-91	141.2	175.8	-68.8	-76.2	-65.5	-169.2	1.9	111	I79 I81 N223 S250 D258 I262 N263 N264	I79-R260 HydrophobicContact CB-CB 4.33Å; I79-R260 HydrophobicContact CB-CG 4.03Å; I79-R260 HydrophobicContact CD1-CG 4.09Å; I79-R260 HydrophobicContact CG1-CG 4.48Å; I79-R260 HydrophobicContact CG2-CB 4.43Å; I79-R260 PolarHBondContact O-NE 3.43Å; I79-R260 PolarHBondContact O-NH2 3.19Å; I81-R260 VanDerWaalsContact CG2-NH2 3.34Å; N223-R260 PolarHBondContact OD1-N 2.97Å; S250-R260 WeakPolarHBondContact OG-CD 3.33Å; D258-R260 PolarHBondContact O-N 2.95Å; R260-I262 HydrophobicContact CB-CG2 3.97Å; R260-I262 PolarHBondContact O-N 3.38Å; R260-N263 PolarHBondContact O-N 2.73Å; R260-N263 VanDerWaalsContact O-N 3.12Å; R260-N264 PolarHBondContact O-OD1 3.11Å
261	A	92.4	Very high	93.7	Very high	60 Å²	60	37.2 Å²	37.2	50%	0.496	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-58	-23.5	-173.5	0	0	0	0	0	114.9	W251 N263 N264	W251-A261 HydrophobicContact CE3-CB 4.05Å; W251-A261 HydrophobicContact CH2-CB 4.35Å; W251-A261 HydrophobicContact CZ3-CB 3.62Å; A261-N263 PolarHBondContact O-N 3.45Å; A261-N264 VanDerWaalsContact CA-CG 3.49Å; A261-N264 WeakPolarHBondContact CA-ND2 3.43Å; A261-N264 WeakPolarHBondContact CA-OD1 3.28Å; A261-N264 WeakPolarHBondContact O-CB 3.29Å; A261-N264 PolarHBondContact O-N 3.23Å
262	I	92.9	Very high	94	Very high	26 Å²	26	38.9 Å²	38.9	13%	0.133	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-63.1	-21.7	179.8	-167.4	173.7	0	0	0	114.3	K77 I79 F119 R260	K77-I262 HydrophobicContact CD-CD1 3.64Å; K77-I262 HydrophobicContact CD-CG1 4.18Å; K77-I262 HydrophobicContact CG-CD1 4.05Å; I79-I262 HydrophobicContact CG2-CG2 4.08Å; F119-I262 HydrophobicContact CB-CD1 3.43Å; F119-I262 VanDerWaalsContact CB-CD1 3.43Å; F119-I262 HydrophobicContact CD1-CD1 3.63Å; F119-I262 HydrophobicContact CD2-CD1 3.29Å; F119-I262 HydrophobicContact CD2-CG1 4.08Å; F119-I262 HydrophobicContact CE1-CD1 4.13Å; F119-I262 HydrophobicContact CE2-CB 4.26Å; F119-I262 HydrophobicContact CE2-CD1 3.82Å; F119-I262 HydrophobicContact CE2-CG1 4.23Å; F119-I262 HydrophobicContact CG-CD1 3.17Å; F119-I262 HydrophobicContact CG-CG1 4.37Å; F119-I262 HydrophobicContact CZ-CB 4.28Å; F119-I262 HydrophobicContact CZ-CD1 4.22Å; R260-I262 HydrophobicContact CB-CG2 3.97Å; R260-I262 PolarHBondContact O-N 3.38Å
263	N	94.7	Very high	94	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.053	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-120.8	33.2	-179.5	-57.5	-22.2	0	0	0	110.7	F226 L259 R260 A261 G265	F226-N263 HydrophobicContact CB-CB 3.93Å; F226-N263 WeakPolarHBondContact CB-O 3.43Å; F226-N263 VanDerWaalsContact CD1-O 3.28Å; F226-N263 WeakPolarHBondContact CD1-O 3.48Å; L259-N263 HydrophobicContact CD1-CB 4.43Å; R260-N263 PolarHBondContact O-N 2.73Å; R260-N263 VanDerWaalsContact O-N 3.12Å; A261-N263 PolarHBondContact O-N 3.45Å; N263-G265 VanDerWaalsContact C-N 3.32Å
264	N	93.8	Very high	94.1	Very high	40 Å²	40	50.1 Å²	50.1	21%	0.214	27%	0.267	C	S	.	.			trans	-82.8	-2.7	-177.6	-81.8	-0.5	0	0	0	113.8	W251 R260 A261 L266 L267 D268	W251-N264 WeakPolarHBondContact CH2-ND2 3.49Å; R260-N264 PolarHBondContact O-OD1 3.11Å; A261-N264 VanDerWaalsContact CA-CG 3.49Å; A261-N264 WeakPolarHBondContact CA-ND2 3.43Å; A261-N264 WeakPolarHBondContact CA-OD1 3.28Å; A261-N264 WeakPolarHBondContact O-CB 3.29Å; A261-N264 PolarHBondContact O-N 3.23Å; N264-L266 PolarHBondContact O-N 3.4Å; N264-L266 VanDerWaalsContact O-N 3.09Å; N264-L267 HydrophobicContact CB-CD1 4.47Å; N264-L267 WeakPolarHBondContact O-CA 3.28Å; N264-L267 VanDerWaalsContact O-CB 3.3Å; N264-L267 WeakPolarHBondContact O-CB 3.28Å; N264-L267 PolarHBondContact O-N 2.64Å; N264-D268 PolarHBondContact O-N 2.85Å
265	G	94.9	Very high	94.3	Very high	19 Å²	19	53.7 Å²	53.7	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-51.6	-41.8	-168	0	0	0	0	0	113.1	E230 N263 L267 D268 T269	E230-G265 WeakPolarHBondContact OE2-CA 3.37Å; E230-G265 PolarHBondContact OE2-N 3.16Å; N263-G265 VanDerWaalsContact C-N 3.32Å; G265-L267 VanDerWaalsContact C-N 3.29Å; G265-L267 PolarHBondContact O-N 2.73Å; G265-D268 WeakPolarHBondContact O-CB 3.17Å; G265-D268 PolarHBondContact O-N 2.91Å; G265-T269 PolarHBondContact O-N 3.3Å; G265-T269 VanDerWaalsContact O-N 3.14Å
266	L	96.1	Very high	94.4	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-27.2	177.8	-175.3	139.7	0	0	0	114.3	F226 A229 L233 I239 M241 N264 D268 T269 Y270 D276 L278	F226-L266 HydrophobicContact CD1-CB 4.45Å; F226-L266 HydrophobicContact CE1-CB 4.34Å; F226-L266 HydrophobicContact CE1-CD2 4.07Å; A229-L266 HydrophobicContact CB-CB 4.22Å; A229-L266 HydrophobicContact CB-CD1 3.64Å; L233-L266 HydrophobicContact CD1-CB 4.41Å; I239-L266 HydrophobicContact CB-CD1 3.66Å; I239-L266 HydrophobicContact CD1-CD1 4.31Å; I239-L266 HydrophobicContact CG2-CD1 3.52Å; M241-L266 HydrophobicContact CG-CD1 4.03Å; M241-L266 HydrophobicContact CG-CD2 4.02Å; M241-L266 HydrophobicContact SD-CD1 3.94Å; M241-L266 HydrophobicContact SD-CD2 3.5Å; M241-L266 WeakPolarHBondContact SD-CD2 3.24Å; M241-L266 HydrophobicContact SD-CG 4.28Å; N264-L266 PolarHBondContact O-N 3.4Å; N264-L266 VanDerWaalsContact O-N 3.09Å; L266-D268 VanDerWaalsContact C-N 3.3Å; L266-T269 WeakPolarHBondContact CA-OG1 3.05Å; L266-T269 PolarHBondContact O-OG1 3.38Å; L266-Y270 WeakPolarHBondContact O-CB 3.2Å; L266-Y270 PolarHBondContact O-N 2.68Å; L266-D276 HydrophobicContact CD1-CB 4.44Å; L266-D276 HydrophobicContact CG-CB 4.24Å; L266-L278 HydrophobicContact CD2-CD2 3.58Å; L266-L278 HydrophobicContact CD2-CG 4.27Å
267	L	95.8	Very high	94.6	Very high	33 Å²	33	53.3 Å²	53.3	17%	0.173	29%	0.288	C	S	.	.	H	α-helix	trans	-67.2	-36.4	173.1	-60.5	-175.7	0	0	0	111.3	F226 V247 L249 L259 N264 G265 Q271 L278	F226-L267 HydrophobicContact CE1-CD2 3.78Å; F226-L267 HydrophobicContact CE1-CG 3.95Å; F226-L267 HydrophobicContact CZ-CD2 3.87Å; F226-L267 HydrophobicContact CZ-CG 4.44Å; V247-L267 HydrophobicContact CG2-CD2 4.47Å; L249-L267 HydrophobicContact CD2-CD1 3.85Å; L259-L267 HydrophobicContact CD2-CD1 3.8Å; L259-L267 HydrophobicContact CD2-CG 4.28Å; N264-L267 HydrophobicContact CB-CD1 4.47Å; N264-L267 WeakPolarHBondContact O-CA 3.28Å; N264-L267 VanDerWaalsContact O-CB 3.3Å; N264-L267 WeakPolarHBondContact O-CB 3.28Å; N264-L267 PolarHBondContact O-N 2.64Å; G265-L267 VanDerWaalsContact C-N 3.29Å; G265-L267 PolarHBondContact O-N 2.73Å; L267-Q271 WeakPolarHBondContact O-CB 3.43Å; L267-Q271 VanDerWaalsContact O-CG 3.26Å; L267-Q271 WeakPolarHBondContact O-CG 3.24Å; L267-Q271 PolarHBondContact O-N 3.29Å; L267-Q271 VanDerWaalsContact O-N 3.09Å; L267-L278 HydrophobicContact CD2-CD1 3.66Å
268	D	95.3	Very high	94.7	Very high	99 Å²	99	53.5 Å²	53.5	53%	0.529	28%	0.283	S	S	.	.	H	α-helix	trans	-69.4	-50.4	-179.9	-164.5	57.4	0	0	0	110.2	N264 G265 L266 Y270 Q271 L272	N264-D268 PolarHBondContact O-N 2.85Å; G265-D268 WeakPolarHBondContact O-CB 3.17Å; G265-D268 PolarHBondContact O-N 2.91Å; L266-D268 VanDerWaalsContact C-N 3.3Å; D268-Y270 VanDerWaalsContact C-N 3.31Å; D268-Y270 PolarHBondContact O-N 3.1Å; D268-Q271 PolarHBondContact O-N 3.39Å; D268-Q271 VanDerWaalsContact O-N 3.16Å; D268-L272 VanDerWaalsContact O-CB 3.26Å; D268-L272 WeakPolarHBondContact O-CB 3.32Å; D268-L272 WeakPolarHBondContact O-CG 3.34Å; D268-L272 PolarHBondContact O-N 2.99Å; D268-L272 VanDerWaalsContact OD1-CD1 3.3Å; D268-L272 WeakPolarHBondContact OD1-CD1 3.41Å; D268-L272 WeakPolarHBondContact OD2-CD1 3.49Å
269	T	95.8	Very high	94.6	Very high	23 Å²	23	54.4 Å²	54.4	14%	0.141	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-35.8	178	57.3	0	0	0	0	112.8	L233 G265 L266 K273 S274 D276	L233-T269 HydrophobicContact CD1-CG2 4.05Å; L233-T269 HydrophobicContact CD2-CG2 4.06Å; L233-T269 HydrophobicContact CG-CG2 4.29Å; G265-T269 PolarHBondContact O-N 3.3Å; G265-T269 VanDerWaalsContact O-N 3.14Å; L266-T269 WeakPolarHBondContact CA-OG1 3.05Å; L266-T269 PolarHBondContact O-OG1 3.38Å; T269-K273 PolarHBondContact O-N 3.12Å; T269-S274 WeakPolarHBondContact O-CA 3.3Å; T269-S274 WeakPolarHBondContact O-CB 3.36Å; T269-S274 PolarHBondContact O-N 3.4Å; T269-D276 WeakPolarHBondContact CB-OD2 3.27Å; T269-D276 WeakPolarHBondContact OG1-CB 3.19Å; T269-D276 PolarHBondContact OG1-OD2 3.3Å
270	Y	95.3	Very high	94.5	Very high	92 Å²	92	60 Å²	60	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-49.6	171.7	170.7	-134	0	0	0	112.1	L266 D268 D276 L278	L266-Y270 WeakPolarHBondContact O-CB 3.2Å; L266-Y270 PolarHBondContact O-N 2.68Å; D268-Y270 VanDerWaalsContact C-N 3.31Å; D268-Y270 PolarHBondContact O-N 3.1Å; Y270-D276 VanDerWaalsContact CD2-O 3.23Å; Y270-D276 WeakPolarHBondContact CD2-O 3.32Å; Y270-L278 HydrophobicContact CD1-CB 4.28Å; Y270-L278 HydrophobicContact CD1-CD1 3.8Å; Y270-L278 HydrophobicContact CD1-CG 3.87Å; Y270-L278 HydrophobicContact CE1-CB 4.05Å; Y270-L278 HydrophobicContact CE1-CD1 4Å; Y270-L278 HydrophobicContact CE1-CG 4.13Å; Y270-L278 HydrophobicContact CG-CG 4.39Å
271	Q	95.9	Very high	94.3	Very high	129 Å²	129	60 Å²	60	60%	0.603	32%	0.319	S	S	*	.	H	α-helix	trans	-75.8	-29.2	-176.4	-67.9	-64.4	-35.9	0	0	113	L267 D268 K273	L267-Q271 WeakPolarHBondContact O-CB 3.43Å; L267-Q271 VanDerWaalsContact O-CG 3.26Å; L267-Q271 WeakPolarHBondContact O-CG 3.24Å; L267-Q271 PolarHBondContact O-N 3.29Å; L267-Q271 VanDerWaalsContact O-N 3.09Å; D268-Q271 PolarHBondContact O-N 3.39Å; D268-Q271 VanDerWaalsContact O-N 3.16Å; Q271-K273 VanDerWaalsContact C-N 3.33Å; Q271-K273 PolarHBondContact O-N 3.07Å
272	L	95.4	Very high	94.1	Very high	113 Å²	113	59.8 Å²	59.8	59%	0.592	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	21.1	-178.9	-59.1	-174.9	0	0	0	113.6	D268 S274	D268-L272 VanDerWaalsContact O-CB 3.26Å; D268-L272 WeakPolarHBondContact O-CB 3.32Å; D268-L272 WeakPolarHBondContact O-CG 3.34Å; D268-L272 PolarHBondContact O-N 2.99Å; D268-L272 VanDerWaalsContact OD1-CD1 3.3Å; D268-L272 WeakPolarHBondContact OD1-CD1 3.41Å; D268-L272 WeakPolarHBondContact OD2-CD1 3.49Å; L272-S274 PolarHBondContact O-N 2.76Å
273	K	92.4	Very high	93.9	Very high	192 Å²	192	59.3 Å²	59.3	84%	0.835	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	36.8	169.9	-50.8	173.1	-177.4	174.4	0	114.3	T269 Q271	T269-K273 PolarHBondContact O-N 3.12Å; Q271-K273 VanDerWaalsContact C-N 3.33Å; Q271-K273 PolarHBondContact O-N 3.07Å
274	S	93.7	Very high	93.6	Very high	64 Å²	64	66.9 Å²	66.9	45%	0.448	34%	0.335	S	S	.	.	S	Bend	trans	-101.6	41.6	177.4	-55.8	0	0	0	0	112.7	T269 L272 D276	T269-S274 WeakPolarHBondContact O-CA 3.3Å; T269-S274 WeakPolarHBondContact O-CB 3.36Å; T269-S274 PolarHBondContact O-N 3.4Å; L272-S274 PolarHBondContact O-N 2.76Å; S274-D276 PolarHBondContact O-N 2.93Å
275	L	94.5	Very high	93.3	Very high	127 Å²	127	69.6 Å²	69.6	67%	0.665	35%	0.349	S	S	*	.	S	Bend	trans	64.8	-20.9	173.3	-54.5	176.6	0	0	0	117.8	F238 H240	F238-L275 HydrophobicContact CB-CB 3.91Å; H240-L275 PolarHBondContact NE2-O 3.12Å
276	D	96.6	Very high	93	Very high	14 Å²	14	69 Å²	69	8%	0.075	34%	0.341	C	S	.	.			trans	-64.5	156.9	175.7	-63.6	-43.6	0	0	0	112.3	L233 I239 L266 T269 Y270 S274	L233-D276 VanDerWaalsContact CD1-OD2 3.23Å; L233-D276 WeakPolarHBondContact CD1-OD2 3.31Å; I239-D276 PolarHBondContact N-OD1 3.12Å; I239-D276 WeakPolarHBondContact O-CA 3.03Å; L266-D276 HydrophobicContact CD1-CB 4.44Å; L266-D276 HydrophobicContact CG-CB 4.24Å; T269-D276 WeakPolarHBondContact CB-OD2 3.27Å; T269-D276 WeakPolarHBondContact OG1-CB 3.19Å; T269-D276 PolarHBondContact OG1-OD2 3.3Å; Y270-D276 VanDerWaalsContact CD2-O 3.23Å; Y270-D276 WeakPolarHBondContact CD2-O 3.32Å; S274-D276 PolarHBondContact O-N 2.93Å
277	G	94.6	Very high	92.8	Very high	8 Å²	8	69 Å²	69	8%	0.082	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	146.8	-167.4	0	0	0	0	0	115.2	I239 H240 M241	I239-G277 PolarHBondContact O-N 3.19Å; H240-G277 CarbonylContact C-O 3.56Å; H240-G277 WeakPolarHBondContact CA-O 3.36Å; H240-G277 PolarHBondContact CD2-N 2.99Å; M241-G277 PolarHBondContact N-O 3.2Å
278	L	94.8	Very high	92.7	Very high	29 Å²	29	67.8 Å²	67.8	15%	0.152	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.9	173.9	-65.8	-177	0	0	0	109.9	F226 M241 V247 L266 L267 Y270	F226-L278 HydrophobicContact CZ-CD2 4.4Å; M241-L278 HydrophobicContact CB-CD2 3.76Å; M241-L278 HydrophobicContact CG-CD2 4.12Å; M241-L278 HydrophobicContact SD-CD2 4.02Å; V247-L278 HydrophobicContact CG2-CD1 3.66Å; V247-L278 HydrophobicContact CG2-CD2 4.47Å; L266-L278 HydrophobicContact CD2-CD2 3.58Å; L266-L278 HydrophobicContact CD2-CG 4.27Å; L267-L278 HydrophobicContact CD2-CD1 3.66Å; Y270-L278 HydrophobicContact CD1-CB 4.28Å; Y270-L278 HydrophobicContact CD1-CD1 3.8Å; Y270-L278 HydrophobicContact CD1-CG 3.87Å; Y270-L278 HydrophobicContact CE1-CB 4.05Å; Y270-L278 HydrophobicContact CE1-CD1 4Å; Y270-L278 HydrophobicContact CE1-CG 4.13Å; Y270-L278 HydrophobicContact CG-CG 4.39Å
279	L	92.9	Very high	92.6	Very high	30 Å²	30	64.1 Å²	64.1	16%	0.157	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.7	-180	-57.9	106.3	0	0	0	113.8	R221 H240 M241 L242 S243 A327 M328	R221-L279 PolarHBondContact NH2-O 3.19Å; H240-L279 HydrophobicContact CB-CD1 3.77Å; M241-L279 PolarHBondContact O-N 3.01Å; L242-L279 WeakPolarHBondContact CA-O 3.33Å; L242-L279 HydrophobicContact CD1-CB 4.41Å; S243-L279 PolarHBondContact N-O 3.49Å; S243-L279 VanDerWaalsContact N-O 3.11Å; L279-A327 HydrophobicContact CD2-CB 3.81Å; L279-M328 HydrophobicContact CD1-CG 4.32Å; L279-M328 HydrophobicContact CD1-SD 4.39Å; L279-M328 HydrophobicContact CD2-CE 4.49Å; L279-M328 HydrophobicContact CD2-CG 3.58Å; L279-M328 HydrophobicContact CD2-SD 3.93Å
280	E	92.4	Very high	92.5	Very high	120 Å²	120	67.9 Å²	67.9	56%	0.561	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.8	-178.8	-64.6	-171.8	-167.3	0	0	111.8	R221 S243 R246	R221-E280 IonicContact CZ-OE1 3.19Å; R221-E280 VanDerWaalsContact NH1-CG 3.33Å; R221-E280 IonicContact NH1-OE1 3.5Å; R221-E280 PolarHBondContact NH1-OE1 2.66Å; R221-E280 IonicContact NH2-OE1 3.18Å; S243-E280 VanDerWaalsContact O-CA 3.28Å; S243-E280 WeakPolarHBondContact O-CA 3.31Å; R246-E280 WeakPolarHBondContact CA-OE1 3.37Å; R246-E280 PolarHBondContact N-OE1 2.88Å; R246-E280 PolarHBondContact N-OE2 3.24Å
281	S	89.8	Confident	92.3	Very high	32 Å²	32	64.7 Å²	64.7	22%	0.224	32%	0.319	C	S	.	.			trans	-166.4	151.9	175.2	-179	0	0	0	0	109.6	S243 R244 L286	S243-S281 CarbonylContact C-O 3.6Å; S243-S281 PolarHBondContact O-N 2.96Å; R244-S281 WeakPolarHBondContact CA-O 3.18Å; R244-S281 PolarHBondContact N-O 2.86Å; S281-L286 WeakPolarHBondContact OG-CD2 3.42Å; S281-L286 WeakPolarHBondContact OG-CG 3.38Å
282	D	89.4	Confident	92	Very high	55 Å²	55	63.2 Å²	63.2	29%	0.294	32%	0.323	S	S	.	.			trans	-79.5	130.1	170.2	-162.1	-43.8	0	0	0	109	R284 D285	D282-R284 PolarHBondContact O-N 2.8Å; D282-R284 VanDerWaalsContact O-N 3.09Å; D282-R284 WeakPolarHBondContact OD1-CB 3.3Å; D282-R284 WeakPolarHBondContact OD1-CG 3.18Å; D282-R284 PolarHBondContact OD1-N 2.83Å; D282-D285 PolarHBondContact O-N 3.37Å
283	L	88.3	Confident	91.8	Very high	15 Å²	15	66.6 Å²	66.6	8%	0.079	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-59.5	-23.2	178.5	-66.4	176.5	0	0	0	112.8	V190 F192 L219 L242 D285 L286 L339	V190-L283 HydrophobicContact CB-CD1 4.35Å; V190-L283 HydrophobicContact CG1-CB 4.17Å; V190-L283 HydrophobicContact CG2-CD1 4.47Å; F192-L283 VanDerWaalsContact CB-O 3.27Å; F192-L283 WeakPolarHBondContact CB-O 3.2Å; F192-L283 HydrophobicContact CD1-CB 4.1Å; F192-L283 HydrophobicContact CE1-CB 4.34Å; F192-L283 HydrophobicContact CE1-CD1 4.33Å; F192-L283 WeakPolarHBondContact CG-O 3.46Å; L219-L283 HydrophobicContact CB-CD1 4.45Å; L219-L283 HydrophobicContact CB-CD2 4.43Å; L219-L283 HydrophobicContact CD1-CD1 4.45Å; L219-L283 HydrophobicContact CD1-CD2 4.08Å; L219-L283 HydrophobicContact CD2-CD2 3.93Å; L219-L283 HydrophobicContact CG-CD2 4.37Å; L242-L283 HydrophobicContact CD2-CD2 3.5Å; L242-L283 HydrophobicContact CD2-CG 4.4Å; L283-D285 PolarHBondContact O-N 2.99Å; L283-L286 HydrophobicContact CD2-CD1 4.34Å; L283-L286 PolarHBondContact O-N 2.89Å; L283-L339 HydrophobicContact CD1-CD1 3.54Å; L283-L339 HydrophobicContact CD1-CD2 3.89Å; L283-L339 HydrophobicContact CD1-CG 4.35Å
284	R	87.1	Confident	91.8	Very high	170 Å²	170	58.8 Å²	58.8	64%	0.642	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-70.8	-20.4	177.2	-65.8	172.8	177.1	-179.9	-1.3	113.5	V190 D282 K301	V190-R284 HydrophobicContact CG1-CG 4.32Å; D282-R284 PolarHBondContact O-N 2.8Å; D282-R284 VanDerWaalsContact O-N 3.09Å; D282-R284 WeakPolarHBondContact OD1-CB 3.3Å; D282-R284 WeakPolarHBondContact OD1-CG 3.18Å; D282-R284 PolarHBondContact OD1-N 2.83Å; R284-K301 WeakPolarHBondContact O-CD 3.46Å
285	D	88.9	Confident	91.9	Very high	97 Å²	97	58.8 Å²	58.8	52%	0.519	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-94.5	-4	178.5	-56	-29.7	0	0	0	111.4	D282 L283 K301	D282-D285 PolarHBondContact O-N 3.37Å; L283-D285 PolarHBondContact O-N 2.99Å; D285-K301 PolarHBondContact O-N 3.17Å
286	L	88.9	Confident	92	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	163	-175.8	-62.1	-179.6	0	0	0	112.3	L242 S281 L283 V298 T299 L300	L242-L286 HydrophobicContact CD1-CD1 3.56Å; L242-L286 HydrophobicContact CD2-CD1 3.55Å; L242-L286 HydrophobicContact CG-CD1 4.2Å; S281-L286 WeakPolarHBondContact OG-CD2 3.42Å; S281-L286 WeakPolarHBondContact OG-CG 3.38Å; L283-L286 HydrophobicContact CD2-CD1 4.34Å; L283-L286 PolarHBondContact O-N 2.89Å; L286-V298 HydrophobicContact CD1-CG1 4.41Å; L286-V298 HydrophobicContact CD2-CG1 4.3Å; L286-T299 CarbonylContact C-O 3.59Å; L286-T299 WeakPolarHBondContact CA-O 3.33Å; L286-L300 HydrophobicContact CD2-CD2 3.77Å
287	A	91.7	Very high	91.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154.9	165.9	0	0	0	0	0	111.6	P193 T299 L304	P193-A287 HydrophobicContact CB-CB 3.8Å; P193-A287 HydrophobicContact CG-CB 4.25Å; P193-A287 VanDerWaalsContact O-CA 3.29Å; P193-A287 WeakPolarHBondContact O-CA 3.47Å; A287-T299 HydrophobicContact CB-CG2 3.83Å; A287-T299 PolarHBondContact N-O 3Å; A287-T299 PolarHBondContact O-N 2.93Å; A287-L304 HydrophobicContact CB-CD1 3.1Å; A287-L304 HydrophobicContact CB-CG 4.42Å
288	I	93.3	Very high	91.7	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.036	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.6	175.6	-65.6	169.9	0	0	0	108.4	F192 P193 G194 V198 L219 F296 H297 V335	F192-I288 HydrophobicContact CE2-CB 4.48Å; F192-I288 HydrophobicContact CE2-CD1 3.61Å; F192-I288 HydrophobicContact CE2-CG1 3.88Å; F192-I288 HydrophobicContact CZ-CD1 3.84Å; P193-I288 PolarHBondContact O-N 3.35Å; G194-I288 WeakPolarHBondContact CA-O 3.33Å; V198-I288 HydrophobicContact CG1-CD1 3.64Å; L219-I288 HydrophobicContact CD1-CD1 4.44Å; I288-F296 HydrophobicContact CG2-CB 4.07Å; I288-F296 HydrophobicContact CG2-CD1 3.68Å; I288-F296 HydrophobicContact CG2-CG 4.26Å; I288-H297 WeakPolarHBondContact CA-O 3.31Å; I288-V335 HydrophobicContact CD1-CB 4.32Å; I288-V335 HydrophobicContact CD1-CG1 3.74Å; I288-V335 HydrophobicContact CD1-CG2 4.22Å; I288-V335 HydrophobicContact CG2-CG2 4.4Å
289	L	92.8	Very high	91.5	Very high	22 Å²	22	52.8 Å²	52.8	12%	0.115	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.5	176.1	-60.7	172.7	0	0	0	109.9	F296 H297 T299 L304 A313 I316 L318	L289-F296 CarbonylContact O-C 3.41Å; L289-F296 VanDerWaalsContact O-CA 3.31Å; L289-F296 WeakPolarHBondContact O-CA 3.24Å; L289-H297 PolarHBondContact N-O 2.91Å; L289-H297 PolarHBondContact O-N 3.39Å; L289-T299 HydrophobicContact CD1-CG2 3.79Å; L289-T299 HydrophobicContact CG-CG2 4.09Å; L289-L304 HydrophobicContact CD2-CD1 4.27Å; L289-L304 HydrophobicContact CD2-CD2 3.83Å; L289-L304 HydrophobicContact CD2-CG 4.4Å; L289-A313 HydrophobicContact CB-CB 4.48Å; L289-I316 HydrophobicContact CD1-CB 4.02Å; L289-I316 HydrophobicContact CD1-CD1 3.79Å; L289-I316 HydrophobicContact CD1-CG2 3.93Å; L289-I316 HydrophobicContact CD2-CD1 3.98Å; L289-L318 HydrophobicContact CD1-CD2 4.02Å
290	K	93.1	Very high	91.2	Very high	102 Å²	102	54.7 Å²	54.7	44%	0.443	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.9	173.9	-167.1	176.5	-173	174.2	0	108.9	G294 K295 F296 A313	K290-G294 WeakPolarHBondContact CE-O 3.1Å; K290-K295 CarbonylContact C-O 3.58Å; K290-K295 WeakPolarHBondContact CA-O 3.47Å; K290-F296 HydrophobicContact CB-CD1 4.15Å; K290-F296 HydrophobicContact CB-CE1 4.05Å; K290-F296 HydrophobicContact CD-CE1 3.8Å; K290-F296 HydrophobicContact CD-CZ 4.14Å; K290-F296 HydrophobicContact CG-CD1 4.19Å; K290-F296 HydrophobicContact CG-CE1 3.86Å; K290-F296 HydrophobicContact CG-CZ 4.45Å; K290-A313 WeakPolarHBondContact O-CB 3.42Å
291	D	91.8	Very high	90.9	Very high	26 Å²	26	52.7 Å²	52.7	14%	0.139	26%	0.263	C	S	.	.			trans	-75.7	171	179.9	72.8	18	0	0	0	112.1	K293 G294 K295 H297 D314	D291-K293 PolarHBondContact O-N 2.87Å; D291-K293 VanDerWaalsContact O-N 3.14Å; D291-K293 VanDerWaalsContact OD1-C 3.26Å; D291-K293 VanDerWaalsContact OD1-CA 3.3Å; D291-K293 WeakPolarHBondContact OD1-CA 3.04Å; D291-K293 WeakPolarHBondContact OD1-CB 3.46Å; D291-K293 PolarHBondContact OD1-N 3.3Å; D291-G294 WeakPolarHBondContact O-CA 3.02Å; D291-G294 PolarHBondContact O-N 3.08Å; D291-G294 PolarHBondContact OD1-N 3.18Å; D291-K295 PolarHBondContact N-O 3.14Å; D291-K295 PolarHBondContact OD1-N 2.82Å; D291-K295 WeakPolarHBondContact OD2-CB 3.48Å; D291-H297 IonicContact OD2-CD2 3.98Å; D291-H297 IonicContact OD2-CE1 2.92Å; D291-H297 IonicContact OD2-NE2 2.56Å; D291-H297 PolarHBondContact OD2-NE2 3.23Å; D291-D314 VanDerWaalsContact CA-OD1 3.29Å; D291-D314 WeakPolarHBondContact CA-OD1 3.25Å; D291-D314 VanDerWaalsContact CB-OD1 3.24Å; D291-D314 WeakPolarHBondContact CB-OD1 3.46Å
292	S	90.6	Very high	90.5	Very high	98 Å²	98	56.4 Å²	56.4	69%	0.685	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.2	178	52.8	0	0	0	0	114.5	G294 D314	S292-G294 VanDerWaalsContact C-N 3.33Å; S292-D314 WeakPolarHBondContact CB-OD2 3.01Å; S292-D314 PolarHBondContact N-OD1 3.43Å; S292-D314 VanDerWaalsContact N-OD1 3.08Å; S292-D314 PolarHBondContact OG-OD2 2.98Å
293	K	91.1	Very high	90.2	Very high	183 Å²	183	55.3 Å²	55.3	80%	0.796	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.4	174.8	-60.4	176.6	-176.4	171.7	0	112.4	D291	D291-K293 PolarHBondContact O-N 2.87Å; D291-K293 VanDerWaalsContact O-N 3.14Å; D291-K293 VanDerWaalsContact OD1-C 3.26Å; D291-K293 VanDerWaalsContact OD1-CA 3.3Å; D291-K293 WeakPolarHBondContact OD1-CA 3.04Å; D291-K293 WeakPolarHBondContact OD1-CB 3.46Å; D291-K293 PolarHBondContact OD1-N 3.3Å
294	G	92.6	Very high	89.9	Confident	28 Å²	28	56.7 Å²	56.7	29%	0.289	28%	0.276	S	S	.	.	S	Bend	trans	82.4	9.6	179.4	0	0	0	0	0	115	K290 D291 S292	K290-G294 WeakPolarHBondContact CE-O 3.1Å; D291-G294 WeakPolarHBondContact O-CA 3.02Å; D291-G294 PolarHBondContact O-N 3.08Å; D291-G294 PolarHBondContact OD1-N 3.18Å; S292-G294 VanDerWaalsContact C-N 3.33Å
295	K	95.6	Very high	89.5	Confident	65 Å²	65	54.6 Å²	54.6	28%	0.283	27%	0.273	S	S	.	.			trans	-84.4	156.9	175.3	-56.9	-75.1	-165.8	169	0	111.1	K290 D291 P331 Y332 D333	K290-K295 CarbonylContact C-O 3.58Å; K290-K295 WeakPolarHBondContact CA-O 3.47Å; D291-K295 PolarHBondContact N-O 3.14Å; D291-K295 PolarHBondContact OD1-N 2.82Å; D291-K295 WeakPolarHBondContact OD2-CB 3.48Å; K295-P331 HydrophobicContact CB-CB 3.92Å; K295-Y332 CarbonylContact C-O 3.58Å; K295-Y332 WeakPolarHBondContact CA-O 3.33Å; K295-D333 IonicContact NZ-OD1 2.76Å; K295-D333 PolarHBondContact NZ-OD1 2.76Å; K295-D333 IonicContact NZ-OD2 3.05Å; K295-D333 PolarHBondContact NZ-OD2 3.4Å
296	F	96.1	Very high	88.8	Confident	16 Å²	16	56.2 Å²	56.2	7%	0.07	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.8	-176.1	-60.6	-74.9	0	0	0	111.9	N197 I288 L289 K290 P331 Y332 D333 V335	N197-F296 HydrophobicContact CB-CE1 3.78Å; N197-F296 HydrophobicContact CB-CZ 4.49Å; I288-F296 HydrophobicContact CG2-CB 4.07Å; I288-F296 HydrophobicContact CG2-CD1 3.68Å; I288-F296 HydrophobicContact CG2-CG 4.26Å; L289-F296 CarbonylContact O-C 3.41Å; L289-F296 VanDerWaalsContact O-CA 3.31Å; L289-F296 WeakPolarHBondContact O-CA 3.24Å; K290-F296 HydrophobicContact CB-CD1 4.15Å; K290-F296 HydrophobicContact CB-CE1 4.05Å; K290-F296 HydrophobicContact CD-CE1 3.8Å; K290-F296 HydrophobicContact CD-CZ 4.14Å; K290-F296 HydrophobicContact CG-CD1 4.19Å; K290-F296 HydrophobicContact CG-CE1 3.86Å; K290-F296 HydrophobicContact CG-CZ 4.45Å; F296-P331 CarbonylContact O-C 3.51Å; F296-P331 WeakPolarHBondContact O-CA 3.28Å; F296-Y332 PolarHBondContact N-O 3.3Å; F296-Y332 PolarHBondContact O-N 2.93Å; F296-D333 WeakPolarHBondContact CD2-O 3.38Å; F296-D333 VanDerWaalsContact CE2-O 3.3Å; F296-D333 WeakPolarHBondContact CE2-O 3.43Å; F296-V335 HydrophobicContact CB-CG2 3.82Å; F296-V335 HydrophobicContact CD1-CG2 4.46Å; F296-V335 HydrophobicContact CD2-CG2 4.11Å; F296-V335 HydrophobicContact CG-CG2 3.88Å
297	H	94.3	Very high	87.9	Confident	31 Å²	31	56.9 Å²	56.9	14%	0.144	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.6	176.1	-63	-97	0	0	0	109.7	I288 L289 D291 L318	I288-H297 WeakPolarHBondContact CA-O 3.31Å; L289-H297 PolarHBondContact N-O 2.91Å; L289-H297 PolarHBondContact O-N 3.39Å; D291-H297 IonicContact OD2-CD2 3.98Å; D291-H297 IonicContact OD2-CE1 2.92Å; D291-H297 IonicContact OD2-NE2 2.56Å; D291-H297 PolarHBondContact OD2-NE2 3.23Å; H297-L318 HydrophobicContact CB-CD1 4.17Å; H297-L318 HydrophobicContact CB-CD2 4.34Å
298	V	91.1	Very high	86.5	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.4	175.3	-177.4	0	0	0	0	108.7	L217 L286 M328 Y332	L217-V298 HydrophobicContact CD2-CG2 3.49Å; L217-V298 VanDerWaalsContact CD2-CG2 3.49Å; L286-V298 HydrophobicContact CD1-CG1 4.41Å; L286-V298 HydrophobicContact CD2-CG1 4.3Å; V298-M328 HydrophobicContact CB-CB 4.4Å; V298-M328 HydrophobicContact CB-CE 4.06Å; V298-M328 HydrophobicContact CB-SD 4.1Å; V298-M328 HydrophobicContact CG1-CE 3.46Å; V298-M328 VanDerWaalsContact CG1-CE 3.46Å; V298-M328 HydrophobicContact CG1-SD 3.9Å; V298-M328 HydrophobicContact CG2-SD 4.19Å; V298-Y332 HydrophobicContact CG2-CD2 4.19Å; V298-Y332 HydrophobicContact CG2-CE2 3.75Å
299	T	89.1	Confident	84.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	169.1	176	-168.8	0	0	0	0	111.1	L286 A287 L289 L304 P319	L286-T299 CarbonylContact C-O 3.59Å; L286-T299 WeakPolarHBondContact CA-O 3.33Å; A287-T299 HydrophobicContact CB-CG2 3.83Å; A287-T299 PolarHBondContact N-O 3Å; A287-T299 PolarHBondContact O-N 2.93Å; L289-T299 HydrophobicContact CD1-CG2 3.79Å; L289-T299 HydrophobicContact CG-CG2 4.09Å; T299-L304 HydrophobicContact CG2-CD1 4.38Å; T299-P319 WeakPolarHBondContact OG1-CD 3.38Å
300	L	86.8	Confident	83.4	Confident	70 Å²	70	73.2 Å²	73.2	37%	0.366	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	141.8	170.3	-57.7	180	0	0	0	109.2	L286 F302 F303	L286-L300 HydrophobicContact CD2-CD2 3.77Å; L300-F302 PolarHBondContact O-N 2.64Å; L300-F302 VanDerWaalsContact O-N 3.1Å; L300-F303 HydrophobicContact CB-CD2 3.9Å; L300-F303 HydrophobicContact CB-CE2 4.27Å; L300-F303 HydrophobicContact CD1-CE2 4.14Å; L300-F303 HydrophobicContact CG-CD2 4.42Å; L300-F303 HydrophobicContact CG-CE2 4.35Å; L300-F303 PolarHBondContact O-N 3.45Å; L300-F303 VanDerWaalsContact O-N 3.09Å
301	K	85.7	Confident	82.1	Confident	77 Å²	77	72.8 Å²	72.8	34%	0.335	38%	0.382	S	S	.	.	H	α-helix	trans	-54.8	-32.5	178.2	-172.8	176.8	-178.2	-106.4	0	112.6	P193 R284 D285 F303 L304 E305	P193-K301 HydrophobicContact CG-CG 4.38Å; R284-K301 WeakPolarHBondContact O-CD 3.46Å; D285-K301 PolarHBondContact O-N 3.17Å; K301-F303 PolarHBondContact O-N 2.83Å; K301-L304 WeakPolarHBondContact O-CB 3.39Å; K301-L304 PolarHBondContact O-N 3.28Å; K301-L304 VanDerWaalsContact O-N 3.16Å; K301-E305 WeakPolarHBondContact CE-OE1 3.24Å; K301-E305 IonicContact NZ-OE1 3.68Å; K301-E305 PolarHBondContact NZ-OE1 3.29Å; K301-E305 PolarHBondContact O-N 3.38Å
302	F	83.4	Confident	81.1	Confident	111 Å²	111	75 Å²	75	49%	0.487	40%	0.399	S	S	.	.	H	α-helix	trans	-54.7	-44.4	176.4	175.8	-102.6	0	0	0	113.5	L300 L304 E305 E306	L300-F302 PolarHBondContact O-N 2.64Å; L300-F302 VanDerWaalsContact O-N 3.1Å; F302-L304 PolarHBondContact O-N 3.31Å; F302-E305 PolarHBondContact O-N 2.84Å; F302-E306 VanDerWaalsContact CE1-CD 3.42Å; F302-E306 HydrophobicContact CE1-CG 4.17Å; F302-E306 WeakPolarHBondContact CE1-OE2 3.45Å; F302-E306 HydrophobicContact CE2-CG 4.16Å; F302-E306 HydrophobicContact CZ-CG 3.94Å; F302-E306 WeakPolarHBondContact CZ-OE1 3.29Å; F302-E306 PolarHBondContact O-N 2.96Å; F302-E306 VanDerWaalsContact O-N 3.1Å
303	F	81.2	Confident	80.3	Confident	31 Å²	31	72 Å²	72	14%	0.136	38%	0.38	C	S	.	.	H	α-helix	trans	-65.6	-27.8	-179.9	-71	-67.3	0	0	0	113	L300 K301 A307 T317 P319	L300-F303 HydrophobicContact CB-CD2 3.9Å; L300-F303 HydrophobicContact CB-CE2 4.27Å; L300-F303 HydrophobicContact CD1-CE2 4.14Å; L300-F303 HydrophobicContact CG-CD2 4.42Å; L300-F303 HydrophobicContact CG-CE2 4.35Å; L300-F303 PolarHBondContact O-N 3.45Å; L300-F303 VanDerWaalsContact O-N 3.09Å; K301-F303 PolarHBondContact O-N 2.83Å; F303-A307 WeakPolarHBondContact O-CB 3.2Å; F303-A307 PolarHBondContact O-N 2.84Å; F303-T317 HydrophobicContact CE1-CG2 4.45Å; F303-P319 HydrophobicContact CD2-CG 4.24Å; F303-P319 HydrophobicContact CE2-CB 4.32Å; F303-P319 HydrophobicContact CE2-CG 3.95Å
304	L	82	Confident	79.6	Confident	45 Å²	45	67.6 Å²	67.6	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-74.1	-33.3	172.5	-85.3	162.9	0	0	0	113.1	P193 A287 L289 T299 K301 F302 E306 I316	P193-L304 HydrophobicContact CB-CD1 3.85Å; P193-L304 HydrophobicContact CG-CD1 4.31Å; A287-L304 HydrophobicContact CB-CD1 3.1Å; A287-L304 HydrophobicContact CB-CG 4.42Å; L289-L304 HydrophobicContact CD2-CD1 4.27Å; L289-L304 HydrophobicContact CD2-CD2 3.83Å; L289-L304 HydrophobicContact CD2-CG 4.4Å; T299-L304 HydrophobicContact CG2-CD1 4.38Å; K301-L304 WeakPolarHBondContact O-CB 3.39Å; K301-L304 PolarHBondContact O-N 3.28Å; K301-L304 VanDerWaalsContact O-N 3.16Å; F302-L304 PolarHBondContact O-N 3.31Å; L304-E306 VanDerWaalsContact C-N 3.33Å; L304-I316 HydrophobicContact CD2-CD1 3.62Å
305	E	80.2	Confident	78.7	Confident	125 Å²	125	68.9 Å²	68.9	58%	0.584	37%	0.374	S	S	*	.	H	α-helix	trans	-73.3	-29.8	179.2	-68.6	174.7	173.3	0	0	111.4	K301 F302	K301-E305 WeakPolarHBondContact CE-OE1 3.24Å; K301-E305 IonicContact NZ-OE1 3.68Å; K301-E305 PolarHBondContact NZ-OE1 3.29Å; K301-E305 PolarHBondContact O-N 3.38Å; F302-E305 PolarHBondContact O-N 2.84Å
306	E	74.4	Confident	78	Confident	131 Å²	131	66.5 Å²	66.5	61%	0.612	36%	0.364	S	S	*	.	H	α-helix	trans	-79.5	-25.7	173	-67	-163.5	143.1	0	0	113.7	F302 L304	F302-E306 VanDerWaalsContact CE1-CD 3.42Å; F302-E306 HydrophobicContact CE1-CG 4.17Å; F302-E306 WeakPolarHBondContact CE1-OE2 3.45Å; F302-E306 HydrophobicContact CE2-CG 4.16Å; F302-E306 HydrophobicContact CZ-CG 3.94Å; F302-E306 WeakPolarHBondContact CZ-OE1 3.29Å; F302-E306 PolarHBondContact O-N 2.96Å; F302-E306 VanDerWaalsContact O-N 3.1Å; L304-E306 VanDerWaalsContact C-N 3.33Å
307	A	69.1	Low	77.3	Confident	21 Å²	21	69 Å²	69	17%	0.174	38%	0.381	C	S	.	.	S	Bend	trans	-69.2	137.6	176.9	0	0	0	0	0	111.6	F303 I316	F303-A307 WeakPolarHBondContact O-CB 3.2Å; F303-A307 PolarHBondContact O-N 2.84Å; A307-I316 HydrophobicContact CB-CG1 4.17Å; A307-I316 HydrophobicContact CB-CG2 4.46Å
308	S	62.4	Low	76.7	Confident	69 Å²	69	68.6 Å²	68.6	48%	0.483	38%	0.379	S	S	.	.			trans	-67.4	141.2	175.8	62.4	0	0	0	0	110.8	N310 Q311	S308-N310 PolarHBondContact O-N 3.31Å; S308-Q311 PolarHBondContact O-N 3.27Å; S308-Q311 VanDerWaalsContact OG-CD 3.31Å; S308-Q311 WeakPolarHBondContact OG-CG 3.36Å; S308-Q311 PolarHBondContact OG-NE2 3.17Å
309	T	58.8	Low	76.2	Confident	145 Å²	145	68.8 Å²	68.8	89%	0.89	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-5.9	-170.7	30.6	0	0	0	0	116.6
310	N	61.8	Low	75.9	Confident	158 Å²	158	70.2 Å²	70.2	85%	0.845	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	7.8	-179.7	-70.9	-21	0	0	0	114	S308	S308-N310 PolarHBondContact O-N 3.31Å
311	Q	67.3	Low	75.5	Confident	93 Å²	93	72 Å²	72	44%	0.435	40%	0.397	S	S	.	.			trans	-75.5	138.1	176.7	-79.8	168.9	-5.2	0	0	111.3	S308 A315	S308-Q311 PolarHBondContact O-N 3.27Å; S308-Q311 VanDerWaalsContact OG-CD 3.31Å; S308-Q311 WeakPolarHBondContact OG-CG 3.36Å; S308-Q311 PolarHBondContact OG-NE2 3.17Å; Q311-A315 HydrophobicContact CB-CB 4.45Å
312	S	70.4	Confident	75.3	Confident	72 Å²	72	74.1 Å²	74.1	50%	0.503	41%	0.412	S	S	.	.			trans	-65.1	153.6	170.7	57.1	0	0	0	0	110.1	D314 A315	S312-D314 PolarHBondContact O-N 3.28Å; S312-D314 VanDerWaalsContact O-N 3.12Å; S312-A315 PolarHBondContact O-N 2.75Å
313	A	72.6	Confident	75.3	Confident	35 Å²	35	73 Å²	73	29%	0.289	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-53.9	-33.9	176.8	0	0	0	0	0	112.7	L289 K290 A315	L289-A313 HydrophobicContact CB-CB 4.48Å; K290-A313 WeakPolarHBondContact O-CB 3.42Å; A313-A315 PolarHBondContact O-N 3.23Å
314	D	76.9	Confident	75.3	Confident	91 Å²	91	78 Å²	78	49%	0.487	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-69.6	-14.6	178	-61.4	-12.6	0	0	0	114	D291 S292 S312	D291-D314 VanDerWaalsContact CA-OD1 3.29Å; D291-D314 WeakPolarHBondContact CA-OD1 3.25Å; D291-D314 VanDerWaalsContact CB-OD1 3.24Å; D291-D314 WeakPolarHBondContact CB-OD1 3.46Å; S292-D314 WeakPolarHBondContact CB-OD2 3.01Å; S292-D314 PolarHBondContact N-OD1 3.43Å; S292-D314 VanDerWaalsContact N-OD1 3.08Å; S292-D314 PolarHBondContact OG-OD2 2.98Å; S312-D314 PolarHBondContact O-N 3.28Å; S312-D314 VanDerWaalsContact O-N 3.12Å
315	A	74.4	Confident	75.5	Confident	56 Å²	56	81.3 Å²	81.3	46%	0.463	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-105.2	-2.2	-176.4	0	0	0	0	0	113.6	Q311 S312 A313	Q311-A315 HydrophobicContact CB-CB 4.45Å; S312-A315 PolarHBondContact O-N 2.75Å; A313-A315 PolarHBondContact O-N 3.23Å
316	I	80	Confident	75.8	Confident	15 Å²	15	77.3 Å²	77.3	8%	0.077	44%	0.438	C	S	.	.	S	Bend	trans	-80.8	129.4	178.6	-63.6	167	0	0	0	108.6	L289 L304 A307 L318	L289-I316 HydrophobicContact CD1-CB 4.02Å; L289-I316 HydrophobicContact CD1-CD1 3.79Å; L289-I316 HydrophobicContact CD1-CG2 3.93Å; L289-I316 HydrophobicContact CD2-CD1 3.98Å; L304-I316 HydrophobicContact CD2-CD1 3.62Å; A307-I316 HydrophobicContact CB-CG1 4.17Å; A307-I316 HydrophobicContact CB-CG2 4.46Å; I316-L318 PolarHBondContact O-N 2.91Å
317	T	80.4	Confident	76.2	Confident	69 Å²	69	74 Å²	74	42%	0.423	43%	0.433	S	S	.	.			trans	-57.7	129.9	174.1	-48	0	0	0	0	110.4	F303 D321	F303-T317 HydrophobicContact CE1-CG2 4.45Å; T317-D321 HydrophobicContact CG2-CB 4.05Å
318	L	83.1	Confident	77.1	Confident	21 Å²	21	73.7 Å²	73.7	11%	0.11	43%	0.428	C	S	.	.			trans	-105.6	155.4	178.6	-59.4	176.3	0	0	0	110.3	L289 H297 I316 Q320 D321	L289-L318 HydrophobicContact CD1-CD2 4.02Å; H297-L318 HydrophobicContact CB-CD1 4.17Å; H297-L318 HydrophobicContact CB-CD2 4.34Å; I316-L318 PolarHBondContact O-N 2.91Å; L318-Q320 HydrophobicContact CB-CG 4.15Å; L318-Q320 PolarHBondContact O-N 2.96Å; L318-D321 PolarHBondContact N-OD2 3.11Å; L318-D321 WeakPolarHBondContact O-CB 3.44Å; L318-D321 PolarHBondContact O-N 3.01Å
319	P	80.6	Confident	78.4	Confident	10 Å²	10	75.8 Å²	75.8	7%	0.065	43%	0.426	C	S	.	.	H	α-helix	trans	-57.4	-26.9	-179.1	-24	33.5	0	0	0	113.5	T299 F303 D321 N323 F326	T299-P319 WeakPolarHBondContact OG1-CD 3.38Å; F303-P319 HydrophobicContact CD2-CG 4.24Å; F303-P319 HydrophobicContact CE2-CB 4.32Å; F303-P319 HydrophobicContact CE2-CG 3.95Å; P319-D321 VanDerWaalsContact C-N 3.3Å; P319-N323 PolarHBondContact O-N 3.44Å; P319-N323 VanDerWaalsContact O-N 3.11Å; P319-F326 HydrophobicContact CB-CD1 3.85Å; P319-F326 HydrophobicContact CB-CD2 3.87Å; P319-F326 HydrophobicContact CB-CE1 3.8Å; P319-F326 HydrophobicContact CB-CE2 3.83Å; P319-F326 HydrophobicContact CB-CG 3.89Å; P319-F326 HydrophobicContact CB-CZ 3.79Å; P319-F326 HydrophobicContact CG-CD1 4.42Å; P319-F326 HydrophobicContact CG-CE1 3.93Å; P319-F326 HydrophobicContact CG-CE2 4.39Å; P319-F326 HydrophobicContact CG-CZ 3.92Å
320	Q	81.6	Confident	80	Confident	30 Å²	30	71.8 Å²	71.8	14%	0.14	40%	0.401	C	S	.	.	H	α-helix	trans	-72.3	-17.4	175.7	63.4	-93.7	25.4	0	0	115	L318 D322 N323 D324 F326 R329	L318-Q320 HydrophobicContact CB-CG 4.15Å; L318-Q320 PolarHBondContact O-N 2.96Å; Q320-D322 VanDerWaalsContact C-N 3.34Å; Q320-N323 VanDerWaalsContact CA-O 3.31Å; Q320-N323 WeakPolarHBondContact CA-O 3.42Å; Q320-N323 CarbonylContact O-C 3.57Å; Q320-D324 PolarHBondContact O-N 3.22Å; Q320-F326 HydrophobicContact CB-CB 4.1Å; Q320-R329 HydrophobicContact CB-CB 3.6Å; Q320-R329 HydrophobicContact CG-CB 4.2Å
321	D	79.8	Confident	81.6	Confident	106 Å²	106	65.9 Å²	65.9	57%	0.567	37%	0.371	S	S	*	.	H	α-helix	trans	-73.4	-32.6	177.9	-60.2	-30.8	0	0	0	110.7	T317 L318 P319	T317-D321 HydrophobicContact CG2-CB 4.05Å; L318-D321 PolarHBondContact N-OD2 3.11Å; L318-D321 WeakPolarHBondContact O-CB 3.44Å; L318-D321 PolarHBondContact O-N 3.01Å; P319-D321 VanDerWaalsContact C-N 3.3Å
322	D	80.8	Confident	83.1	Confident	123 Å²	123	61.5 Å²	61.5	66%	0.658	35%	0.351	S	S	*	.	H	α-helix	trans	-88.3	-28.4	174.4	-67.7	-30.2	0	0	0	112.7	Q320	Q320-D322 VanDerWaalsContact C-N 3.34Å
323	N	83.1	Confident	84.4	Confident	86 Å²	86	60.1 Å²	60.1	46%	0.46	34%	0.338	S	S	.	.			trans	-138.8	95	-178.6	-178.9	-0.5	0	0	0	110.7	P319 Q320 N325 F326	P319-N323 PolarHBondContact O-N 3.44Å; P319-N323 VanDerWaalsContact O-N 3.11Å; Q320-N323 VanDerWaalsContact CA-O 3.31Å; Q320-N323 WeakPolarHBondContact CA-O 3.42Å; Q320-N323 CarbonylContact O-C 3.57Å; N323-N325 PolarHBondContact O-N 2.83Å; N323-N325 PolarHBondContact OD1-N 3.09Å; N323-F326 WeakPolarHBondContact O-CB 3.27Å; N323-F326 PolarHBondContact O-N 2.94Å
324	D	82.6	Confident	85.6	Confident	137 Å²	137	61.1 Å²	61.1	73%	0.733	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.3	-178.3	67.2	-6.5	0	0	0	114.5	Q320 R329	Q320-D324 PolarHBondContact O-N 3.22Å; D324-R329 WeakPolarHBondContact O-CD 3.26Å
325	N	84.9	Confident	86.6	Confident	115 Å²	115	56.9 Å²	56.9	62%	0.615	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	22	174.6	-164.8	30	0	0	0	114	N323 A327	N323-N325 PolarHBondContact O-N 2.83Å; N323-N325 PolarHBondContact OD1-N 3.09Å; N325-A327 PolarHBondContact O-N 3.24Å
326	F	86.3	Confident	87.7	Confident	41 Å²	41	54.2 Å²	54.2	18%	0.18	29%	0.289	C	S	.	.			trans	-59.3	135	173.9	-176.1	-118.6	0	0	0	111.4	P319 Q320 N323 M328 R329	P319-F326 HydrophobicContact CB-CD1 3.85Å; P319-F326 HydrophobicContact CB-CD2 3.87Å; P319-F326 HydrophobicContact CB-CE1 3.8Å; P319-F326 HydrophobicContact CB-CE2 3.83Å; P319-F326 HydrophobicContact CB-CG 3.89Å; P319-F326 HydrophobicContact CB-CZ 3.79Å; P319-F326 HydrophobicContact CG-CD1 4.42Å; P319-F326 HydrophobicContact CG-CE1 3.93Å; P319-F326 HydrophobicContact CG-CE2 4.39Å; P319-F326 HydrophobicContact CG-CZ 3.92Å; Q320-F326 HydrophobicContact CB-CB 4.1Å; N323-F326 WeakPolarHBondContact O-CB 3.27Å; N323-F326 PolarHBondContact O-N 2.94Å; F326-M328 VanDerWaalsContact C-N 3.25Å; F326-M328 HydrophobicContact CD1-CB 4.19Å; F326-M328 HydrophobicContact CE1-CB 3.67Å; F326-M328 HydrophobicContact CE1-CE 4.17Å; F326-M328 HydrophobicContact CZ-CB 4.28Å; F326-M328 HydrophobicContact CZ-CE 3.71Å; F326-M328 PolarHBondContact O-N 2.9Å; F326-R329 HydrophobicContact CB-CB 4.34Å; F326-R329 WeakPolarHBondContact O-CB 3.37Å; F326-R329 WeakPolarHBondContact O-CD 3.32Å; F326-R329 VanDerWaalsContact O-CG 3.3Å; F326-R329 WeakPolarHBondContact O-CG 3.06Å; F326-R329 PolarHBondContact O-N 3.07Å; F326-R329 PolarHBondContact O-NH1 3.43Å
327	A	83.3	Confident	88.5	Confident	61 Å²	61	54.3 Å²	54.3	50%	0.504	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.9	-171.8	0	0	0	0	0	113.6	L279 N325	L279-A327 HydrophobicContact CD2-CB 3.81Å; N325-A327 PolarHBondContact O-N 3.24Å
328	M	88.4	Confident	89.3	Confident	14 Å²	14	51.3 Å²	51.3	7%	0.069	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	29	178.8	-57.4	-177.5	-70.5	0	0	112.3	L242 L279 V298 F326 V330 Y332	L242-M328 HydrophobicContact CD1-CE 4.08Å; L242-M328 HydrophobicContact CD1-SD 3.78Å; L279-M328 HydrophobicContact CD1-CG 4.32Å; L279-M328 HydrophobicContact CD1-SD 4.39Å; L279-M328 HydrophobicContact CD2-CE 4.49Å; L279-M328 HydrophobicContact CD2-CG 3.58Å; L279-M328 HydrophobicContact CD2-SD 3.93Å; V298-M328 HydrophobicContact CB-CB 4.4Å; V298-M328 HydrophobicContact CB-CE 4.06Å; V298-M328 HydrophobicContact CB-SD 4.1Å; V298-M328 HydrophobicContact CG1-CE 3.46Å; V298-M328 VanDerWaalsContact CG1-CE 3.46Å; V298-M328 HydrophobicContact CG1-SD 3.9Å; V298-M328 HydrophobicContact CG2-SD 4.19Å; F326-M328 VanDerWaalsContact C-N 3.25Å; F326-M328 HydrophobicContact CD1-CB 4.19Å; F326-M328 HydrophobicContact CE1-CB 3.67Å; F326-M328 HydrophobicContact CE1-CE 4.17Å; F326-M328 HydrophobicContact CZ-CB 4.28Å; F326-M328 HydrophobicContact CZ-CE 3.71Å; F326-M328 PolarHBondContact O-N 2.9Å; M328-V330 PolarHBondContact O-N 2.98Å; M328-Y332 HydrophobicContact CB-CE2 4.5Å
329	R	89.8	Confident	89.8	Confident	114 Å²	114	52 Å²	52	43%	0.43	27%	0.274	S	S	.	.			trans	-64.5	-22.8	-179.5	68.5	-172	177.7	-82.1	1	114.6	Q320 D324 F326	Q320-R329 HydrophobicContact CB-CB 3.6Å; Q320-R329 HydrophobicContact CG-CB 4.2Å; D324-R329 WeakPolarHBondContact O-CD 3.26Å; F326-R329 HydrophobicContact CB-CB 4.34Å; F326-R329 WeakPolarHBondContact O-CB 3.37Å; F326-R329 WeakPolarHBondContact O-CD 3.32Å; F326-R329 VanDerWaalsContact O-CG 3.3Å; F326-R329 WeakPolarHBondContact O-CG 3.06Å; F326-R329 PolarHBondContact O-N 3.07Å; F326-R329 PolarHBondContact O-NH1 3.43Å
330	V	92.4	Very high	90.5	Very high	60 Å²	60	52.9 Å²	52.9	36%	0.364	29%	0.285	S	S	.	.	S	Bend	trans	-88	130.8	179.3	-177.2	0	0	0	0	108.8	N215 F238 M328	N215-V330 WeakPolarHBondContact ND2-CG1 3.45Å; F238-V330 HydrophobicContact CE1-CB 4.49Å; F238-V330 HydrophobicContact CE1-CG1 4Å; F238-V330 HydrophobicContact CZ-CB 4.06Å; F238-V330 HydrophobicContact CZ-CG1 3.82Å; M328-V330 PolarHBondContact O-N 2.98Å
331	P	95.3	Very high	91.1	Very high	35 Å²	35	53.3 Å²	53.3	23%	0.227	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-71.8	156.9	-179.8	28.5	-35.2	0	0	0	113	N215 K295 F296	N215-P331 WeakPolarHBondContact CB-O 3.48Å; N215-P331 PolarHBondContact ND2-O 2.85Å; K295-P331 HydrophobicContact CB-CB 3.92Å; F296-P331 CarbonylContact O-C 3.51Å; F296-P331 WeakPolarHBondContact O-CA 3.28Å
332	Y	97.9	Very high	91.9	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-103.1	148.9	-179.5	-56.2	-89.2	0	0	0	111.8	N215 L217 F238 H240 K295 F296 V298 M328	N215-Y332 HydrophobicContact CB-CD1 4.31Å; N215-Y332 CarbonylContact O-C 3.58Å; N215-Y332 WeakPolarHBondContact O-CA 3.3Å; L217-Y332 HydrophobicContact CB-CD1 3.62Å; L217-Y332 HydrophobicContact CB-CD2 4.19Å; L217-Y332 HydrophobicContact CB-CE1 3.78Å; L217-Y332 HydrophobicContact CB-CE2 4.37Å; L217-Y332 HydrophobicContact CB-CG 3.81Å; L217-Y332 HydrophobicContact CD1-CE1 4.28Å; L217-Y332 HydrophobicContact CD2-CD2 4.37Å; L217-Y332 HydrophobicContact CD2-CE2 4.27Å; F238-Y332 HydrophobicContact CE2-CD1 4.1Å; F238-Y332 AromaticContact CE2-CE1 3.67Å; F238-Y332 HydrophobicContact CE2-CE1 3.67Å; H240-Y332 HydrophobicContact CB-CE1 3.99Å; H240-Y332 AromaticContact ND1-CE1 3.74Å; H240-Y332 AromaticContact ND1-CZ 3.69Å; H240-Y332 PolarHBondContact ND1-OH 3.24Å; K295-Y332 CarbonylContact C-O 3.58Å; K295-Y332 WeakPolarHBondContact CA-O 3.33Å; F296-Y332 PolarHBondContact N-O 3.3Å; F296-Y332 PolarHBondContact O-N 2.93Å; V298-Y332 HydrophobicContact CG2-CD2 4.19Å; V298-Y332 HydrophobicContact CG2-CE2 3.75Å; M328-Y332 HydrophobicContact CB-CE2 4.5Å
333	D	98.1	Very high	92.6	Very high	42 Å²	42	43.5 Å²	43.5	23%	0.225	23%	0.233	C	C	.	.	S	Bend	trans	-81.5	-34.5	170.8	-75.1	-84.2	0	0	0	112	Q214 N215 K295 F296	Q214-D333 HydrophobicContact CB-CB 3.72Å; Q214-D333 HydrophobicContact CG-CB 3.8Å; N215-D333 PolarHBondContact N-OD2 2.82Å; N215-D333 PolarHBondContact O-N 3.28Å; K295-D333 IonicContact NZ-OD1 2.76Å; K295-D333 PolarHBondContact NZ-OD1 2.76Å; K295-D333 IonicContact NZ-OD2 3.05Å; K295-D333 PolarHBondContact NZ-OD2 3.4Å; F296-D333 WeakPolarHBondContact CD2-O 3.38Å; F296-D333 VanDerWaalsContact CE2-O 3.3Å; F296-D333 WeakPolarHBondContact CE2-O 3.43Å
334	R	97.5	Very high	93.2	Very high	57 Å²	57	41.5 Å²	41.5	22%	0.215	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	145.1	-176.5	-73.5	-172.2	155.8	-124	-18.3	111.5	E199 N215 L217	E199-R334 IonicContact OE1-CZ 3.33Å; E199-R334 IonicContact OE1-NE 2.94Å; E199-R334 PolarHBondContact OE1-NE 3.29Å; E199-R334 IonicContact OE1-NH1 2.73Å; E199-R334 PolarHBondContact OE1-NH1 3.32Å; E199-R334 IonicContact OE1-NH2 3.41Å; E199-R334 PolarHBondContact OE1-NH2 3.24Å; E199-R334 IonicContact OE2-CZ 2.78Å; E199-R334 IonicContact OE2-NH1 3.3Å; E199-R334 PolarHBondContact OE2-NH1 2.85Å; E199-R334 IonicContact OE2-NH2 2.93Å; E199-R334 PolarHBondContact OE2-NH2 3.43Å; N215-R334 PolarHBondContact O-N 3.19Å; L217-R334 PolarHBondContact N-O 3.42Å
335	V	97.8	Very high	93.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.9	169.7	-171.4	0	0	0	0	109.7	V198 E199 L217 L219 I288 F296	V198-V335 HydrophobicContact CB-CB 4.39Å; V198-V335 HydrophobicContact CB-CG1 4.28Å; V198-V335 HydrophobicContact CG1-CB 4.12Å; V198-V335 HydrophobicContact CG1-CG1 3.86Å; E199-V335 PolarHBondContact N-O 2.73Å; L217-V335 HydrophobicContact CB-CG1 4.22Å; L217-V335 HydrophobicContact CB-CG2 4.2Å; L217-V335 HydrophobicContact CD2-CG1 3.95Å; L217-V335 HydrophobicContact CD2-CG2 4.21Å; L217-V335 HydrophobicContact CG-CG1 4.14Å; L217-V335 CarbonylContact O-C 3.58Å; L217-V335 VanDerWaalsContact O-CA 3.3Å; L217-V335 WeakPolarHBondContact O-CA 3.02Å; L219-V335 HydrophobicContact CD1-CG1 3.92Å; L219-V335 HydrophobicContact CD2-CG1 4.07Å; L219-V335 HydrophobicContact CG-CG1 3.83Å; I288-V335 HydrophobicContact CD1-CB 4.32Å; I288-V335 HydrophobicContact CD1-CG1 3.74Å; I288-V335 HydrophobicContact CD1-CG2 4.22Å; I288-V335 HydrophobicContact CG2-CG2 4.4Å; F296-V335 HydrophobicContact CB-CG2 3.82Å; F296-V335 HydrophobicContact CD1-CG2 4.46Å; F296-V335 HydrophobicContact CD2-CG2 4.11Å; F296-V335 HydrophobicContact CG-CG2 3.88Å
336	I	98.2	Very high	94.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.9	-173.7	-50	172	0	0	0	110.1	E199 V204 F211 V216 L217 I218 L219 T228	E199-I336 CarbonylContact O-C 3.51Å; E199-I336 WeakPolarHBondContact O-CA 3.41Å; V204-I336 HydrophobicContact CB-CG2 4.24Å; V204-I336 HydrophobicContact CG1-CG2 4.09Å; V204-I336 HydrophobicContact CG2-CD1 3.95Å; V204-I336 HydrophobicContact CG2-CG1 4.07Å; V204-I336 HydrophobicContact CG2-CG2 4.21Å; F211-I336 HydrophobicContact CE1-CD1 3.99Å; V216-I336 HydrophobicContact CG1-CD1 3.68Å; V216-I336 HydrophobicContact CG1-CG1 4.2Å; L217-I336 PolarHBondContact O-N 3.46Å; I218-I336 CarbonylContact C-O 3.53Å; I218-I336 WeakPolarHBondContact CA-O 3.4Å; I218-I336 HydrophobicContact CG1-CB 4.44Å; I218-I336 HydrophobicContact CG1-CD1 4.43Å; L219-I336 PolarHBondContact N-O 3.08Å; T228-I336 HydrophobicContact CG2-CD1 3.99Å
337	R	96.8	Very high	94.6	Very high	17 Å²	17	35.8 Å²	35.8	6%	0.064	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	110.5	178	-173.5	-177.1	55.3	66.7	12	111.6	N188 V198 E199 Y201 E202 L339	N188-R337 PolarHBondContact O-NH1 2.73Å; V198-R337 HydrophobicContact CG2-CB 3.8Å; E199-R337 PolarHBondContact O-N 3.41Å; Y201-R337 WeakPolarHBondContact CB-O 3.28Å; Y201-R337 PolarHBondContact N-O 3.48Å; E202-R337 IonicContact OE1-CZ 3.54Å; E202-R337 IonicContact OE1-NH2 3.99Å; E202-R337 PolarHBondContact OE1-NH2 3.43Å; E202-R337 IonicContact OE2-NH2 3.01Å; E202-R337 PolarHBondContact OE2-NH2 2.73Å; R337-L339 HydrophobicContact CG-CB 4.2Å; R337-L339 HydrophobicContact CG-CD1 3.54Å; R337-L339 HydrophobicContact CG-CG 3.55Å
338	C	97.1	Very high	95.3	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.041	18%	0.178	C	C	.	.			trans	-118.4	49.4	177.3	-65.3	0	0	0	0	111.9	I218 L219 A225 G340	I218-C338 HydrophobicContact CG2-CB 4.05Å; L219-C338 CarbonylContact O-C 3.58Å; L219-C338 VanDerWaalsContact O-C 3.32Å; L219-C338 WeakPolarHBondContact O-CA 3.3Å; L219-C338 PolarHBondContact O-N 3.26Å; A225-C338 HydrophobicContact CB-CB 3.51Å; C338-G340 PolarHBondContact O-N 3.36Å
339	L	94.8	Very high	95.6	Very high	35 Å²	35	35.9 Å²	35.9	18%	0.183	19%	0.19	C	C	.	.			trans	-89.2	9.3	-169.7	-59.1	178.4	0	0	0	115.5	N188 V190 L219 L283 R337	N188-L339 HydrophobicContact CB-CB 4.31Å; N188-L339 WeakPolarHBondContact CB-O 3.05Å; N188-L339 PolarHBondContact ND2-O 3.11Å; N188-L339 VanDerWaalsContact ND2-O 3.09Å; V190-L339 HydrophobicContact CB-CD1 4.21Å; V190-L339 HydrophobicContact CG2-CD1 3.73Å; L219-L339 HydrophobicContact CB-CD2 4.17Å; L219-L339 WeakPolarHBondContact O-CD2 3.38Å; L283-L339 HydrophobicContact CD1-CD1 3.54Å; L283-L339 HydrophobicContact CD1-CD2 3.89Å; L283-L339 HydrophobicContact CD1-CG 4.35Å; R337-L339 HydrophobicContact CG-CB 4.2Å; R337-L339 HydrophobicContact CG-CD1 3.54Å; R337-L339 HydrophobicContact CG-CG 3.55Å
340	G	93.9	Very high	95.8	Very high	29 Å²	29	39.8 Å²	39.8	30%	0.299	21%	0.21	S	C	.	.			trans	85.3	-162.8	179	0	0	0	0	0	114.1	N188 C338	N188-G340 VanDerWaalsContact CB-O 3.31Å; N188-G340 WeakPolarHBondContact CB-O 3.22Å; N188-G340 PolarHBondContact N-O 3.34Å; C338-G340 PolarHBondContact O-N 3.36Å
341	W	94.6	Very high	95.6	Very high	39 Å²	39	39.2 Å²	39.2	15%	0.148	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	152	-168.3	-56	89.1	0	0	0	111.3	Y72 L184 S185 V186 P187 Y201 E202	Y72-W341 HydrophobicContact CD1-CZ2 4.4Å; Y72-W341 HydrophobicContact CE1-CH2 4.07Å; Y72-W341 AromaticContact CE1-CZ2 3.78Å; Y72-W341 HydrophobicContact CE1-CZ2 3.78Å; Y72-W341 HydrophobicContact CE2-CH2 4.02Å; Y72-W341 HydrophobicContact CE2-CZ2 4.22Å; Y72-W341 AromaticContact CZ-CH2 3.52Å; Y72-W341 AromaticContact CZ-CZ2 3.69Å; Y72-W341 VanDerWaalsContact OH-CH2 3.28Å; Y72-W341 WeakPolarHBondContact OH-CH2 3.48Å; L184-W341 HydrophobicContact CB-CB 3.76Å; S185-W341 WeakPolarHBondContact O-CZ3 3.32Å; V186-W341 CarbonylContact O-C 3.51Å; V186-W341 WeakPolarHBondContact O-CA 3.25Å; P187-W341 HydrophobicContact CB-CE3 4.48Å; P187-W341 HydrophobicContact CB-CZ3 4.28Å; P187-W341 HydrophobicContact CG-CE3 4.15Å; P187-W341 HydrophobicContact CG-CH2 4.2Å; P187-W341 HydrophobicContact CG-CZ3 3.57Å; Y201-W341 AromaticContact CD1-CZ2 3.81Å; Y201-W341 HydrophobicContact CD1-CZ2 3.81Å; Y201-W341 AromaticContact CE1-CZ2 3.98Å; Y201-W341 HydrophobicContact CE1-CZ2 3.98Å; E202-W341 HydrophobicContact CB-CH2 4.07Å
342	N	95.8	Very high	95.6	Very high	18 Å²	18	37.5 Å²	37.5	10%	0.096	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	160.5	175.9	-67	-49.3	0	0	0	110.6	S185 V186 N188 K362 K363	S185-N342 PolarHBondContact N-O 3.24Å; V186-N342 HydrophobicContact CB-CB 4.3Å; V186-N342 PolarHBondContact N-O 3.36Å; V186-N342 VanDerWaalsContact N-O 3.15Å; V186-N342 PolarHBondContact O-N 3.38Å; N188-N342 WeakPolarHBondContact CA-ND2 3.48Å; N188-N342 PolarHBondContact OD1-ND2 2.89Å; N188-N342 VanDerWaalsContact OD1-ND2 3.11Å; N342-K362 HydrophobicContact CB-CB 4.47Å; N342-K363 VanDerWaalsContact OD1-CA 3.3Å; N342-K363 WeakPolarHBondContact OD1-CA 3.26Å; N342-K363 PolarHBondContact OD1-N 3.07Å
343	F	95.9	Very high	95.3	Very high	5 Å²	5	46 Å²	46	2%	0.022	23%	0.229	C	C	.	.			trans	-72.7	141.9	172.3	-176.8	-95.8	0	0	0	110.5	V180 L184 F345 F348 L354 K363 P365 I381 A385	V180-F343 HydrophobicContact CG1-CE2 4.13Å; V180-F343 HydrophobicContact CG1-CZ 3.94Å; L184-F343 HydrophobicContact CD2-CB 3.99Å; L184-F343 HydrophobicContact CD2-CD2 4.49Å; F343-F345 HydrophobicContact CB-CE2 3.94Å; F343-F345 HydrophobicContact CB-CZ 4.21Å; F343-F345 AromaticContact CD1-CD1 3.83Å; F343-F345 HydrophobicContact CD1-CD1 3.83Å; F343-F345 AromaticContact CD1-CD2 3.88Å; F343-F345 HydrophobicContact CD1-CD2 3.88Å; F343-F345 AromaticContact CD1-CE1 3.64Å; F343-F345 HydrophobicContact CD1-CE1 3.64Å; F343-F345 AromaticContact CD1-CE2 3.71Å; F343-F345 HydrophobicContact CD1-CE2 3.71Å; F343-F345 AromaticContact CD1-CG 3.94Å; F343-F345 HydrophobicContact CD1-CG 3.94Å; F343-F345 AromaticContact CD1-CZ 3.58Å; F343-F345 HydrophobicContact CD1-CZ 3.58Å; F343-F345 HydrophobicContact CE1-CD1 4.03Å; F343-F345 HydrophobicContact CE1-CE1 4.03Å; F343-F345 HydrophobicContact CE1-CG 4.41Å; F343-F345 HydrophobicContact CE1-CZ 4.41Å; F343-F345 HydrophobicContact CG-CE2 4.31Å; F343-F345 HydrophobicContact CG-CZ 4.29Å; F343-F345 WeakPolarHBondContact O-CD2 3.29Å; F343-F345 PolarHBondContact O-N 2.98Å; F343-F348 HydrophobicContact CE1-CD2 4.23Å; F343-F348 AromaticContact CE1-CE2 3.7Å; F343-F348 HydrophobicContact CE1-CE2 3.7Å; F343-F348 AromaticContact CZ-CE2 3.73Å; F343-F348 HydrophobicContact CZ-CE2 3.73Å; F343-F348 HydrophobicContact CZ-CZ 4.23Å; F343-L354 HydrophobicContact CE1-CD2 3.94Å; F343-L354 HydrophobicContact CZ-CD2 4.31Å; F343-K363 PolarHBondContact N-O 3.38Å; F343-K363 VanDerWaalsContact N-O 3.11Å; F343-P365 HydrophobicContact CD1-CB 4.49Å; F343-P365 HydrophobicContact CD1-CG 4.48Å; F343-P365 HydrophobicContact CD2-CG 4.25Å; F343-P365 HydrophobicContact CE2-CG 4.33Å; F343-P365 HydrophobicContact CG-CG 4.31Å; F343-P365 HydrophobicContact CZ-CG 4.48Å; F343-I381 HydrophobicContact CZ-CD1 4.4Å; F343-A385 HydrophobicContact CD2-CB 3.65Å; F343-A385 HydrophobicContact CE2-CB 3.78Å
344	D	95.4	Very high	95	Very high	43 Å²	43	45 Å²	45	23%	0.23	22%	0.224	C	C	.	.			trans	-85.1	108	177.5	-168.9	-1.8	0	0	0	111.3	V186 S346 F348	V186-D344 HydrophobicContact CG2-CB 3.68Å; D344-S346 WeakPolarHBondContact OD1-CB 3.46Å; D344-S346 PolarHBondContact OD1-N 3.16Å; D344-S346 PolarHBondContact OD1-OG 2.94Å; D344-F348 WeakPolarHBondContact O-CE2 3.35Å
345	F	94.9	Very high	94.5	Very high	52 Å²	52	46.1 Å²	46.1	23%	0.228	23%	0.234	C	C	.	.			trans	-91.5	-9.7	176.3	-65.8	-86	0	0	0	113.1	F343 I347 F348 L354 P365	F343-F345 HydrophobicContact CB-CE2 3.94Å; F343-F345 HydrophobicContact CB-CZ 4.21Å; F343-F345 AromaticContact CD1-CD1 3.83Å; F343-F345 HydrophobicContact CD1-CD1 3.83Å; F343-F345 AromaticContact CD1-CD2 3.88Å; F343-F345 HydrophobicContact CD1-CD2 3.88Å; F343-F345 AromaticContact CD1-CE1 3.64Å; F343-F345 HydrophobicContact CD1-CE1 3.64Å; F343-F345 AromaticContact CD1-CE2 3.71Å; F343-F345 HydrophobicContact CD1-CE2 3.71Å; F343-F345 AromaticContact CD1-CG 3.94Å; F343-F345 HydrophobicContact CD1-CG 3.94Å; F343-F345 AromaticContact CD1-CZ 3.58Å; F343-F345 HydrophobicContact CD1-CZ 3.58Å; F343-F345 HydrophobicContact CE1-CD1 4.03Å; F343-F345 HydrophobicContact CE1-CE1 4.03Å; F343-F345 HydrophobicContact CE1-CG 4.41Å; F343-F345 HydrophobicContact CE1-CZ 4.41Å; F343-F345 HydrophobicContact CG-CE2 4.31Å; F343-F345 HydrophobicContact CG-CZ 4.29Å; F343-F345 WeakPolarHBondContact O-CD2 3.29Å; F343-F345 PolarHBondContact O-N 2.98Å; F345-I347 VanDerWaalsContact C-N 3.29Å; F345-I347 PolarHBondContact O-N 3.15Å; F345-F348 PolarHBondContact O-N 3.18Å; F345-F348 VanDerWaalsContact O-N 3.14Å; F345-L354 HydrophobicContact CD1-CG 4.25Å; F345-L354 HydrophobicContact CE1-CG 4.14Å; F345-P365 HydrophobicContact CE1-CB 4.12Å; F345-P365 HydrophobicContact CZ-CB 4.23Å
346	S	94.8	Very high	93.8	Very high	98 Å²	98	47.3 Å²	47.3	69%	0.685	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-29	-164.2	73.5	0	0	0	0	113.6	D344 F348	D344-S346 WeakPolarHBondContact OD1-CB 3.46Å; D344-S346 PolarHBondContact OD1-N 3.16Å; D344-S346 PolarHBondContact OD1-OG 2.94Å; S346-F348 VanDerWaalsContact C-N 3.31Å
347	I	94.8	Very high	92.3	Very high	24 Å²	24	47.8 Å²	47.8	12%	0.123	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.6	-179.8	64.6	168.5	0	0	0	112.9	L36 H148 V149 F345	L36-I347 HydrophobicContact CD2-CD1 3.5Å; H148-I347 CarbonylContact C-O 3.48Å; H148-I347 WeakPolarHBondContact CA-O 3.47Å; V149-I347 HydrophobicContact CG2-CD1 4.42Å; V149-I347 PolarHBondContact N-O 2.94Å; F345-I347 VanDerWaalsContact C-N 3.29Å; F345-I347 PolarHBondContact O-N 3.15Å
348	F	96.7	Very high	90.5	Very high	19 Å²	19	55.3 Å²	55.3	8%	0.083	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-95.9	120.2	-174.2	-58.8	-77.3	0	0	0	110.9	L36 V149 L178 V180 F343 D344 F345 S346 L352 L354	L36-F348 HydrophobicContact CD2-CZ 4.3Å; V149-F348 HydrophobicContact CB-CD1 3.93Å; V149-F348 HydrophobicContact CB-CE1 4.4Å; V149-F348 HydrophobicContact CG1-CD1 4.24Å; V149-F348 HydrophobicContact CG2-CD1 4.09Å; V149-F348 HydrophobicContact CG2-CE1 4.13Å; L178-F348 HydrophobicContact CD2-CE1 4.4Å; V180-F348 HydrophobicContact CG1-CZ 3.81Å; V180-F348 HydrophobicContact CG2-CE1 3.91Å; V180-F348 HydrophobicContact CG2-CZ 3.85Å; F343-F348 HydrophobicContact CE1-CD2 4.23Å; F343-F348 AromaticContact CE1-CE2 3.7Å; F343-F348 HydrophobicContact CE1-CE2 3.7Å; F343-F348 AromaticContact CZ-CE2 3.73Å; F343-F348 HydrophobicContact CZ-CE2 3.73Å; F343-F348 HydrophobicContact CZ-CZ 4.23Å; D344-F348 WeakPolarHBondContact O-CE2 3.35Å; F345-F348 PolarHBondContact O-N 3.18Å; F345-F348 VanDerWaalsContact O-N 3.14Å; S346-F348 VanDerWaalsContact C-N 3.31Å; F348-L352 HydrophobicContact CB-CD2 4.29Å; F348-L352 HydrophobicContact CD1-CD2 3.72Å; F348-L352 HydrophobicContact CG-CD2 4.46Å; F348-L354 HydrophobicContact CB-CD2 4.42Å; F348-L354 HydrophobicContact CD1-CD2 4.12Å; F348-L354 HydrophobicContact CD2-CD2 3.71Å; F348-L354 HydrophobicContact CE1-CD2 4.31Å; F348-L354 HydrophobicContact CE2-CD2 3.92Å; F348-L354 HydrophobicContact CG-CD2 3.81Å; F348-L354 HydrophobicContact CZ-CD2 4.22Å
349	N	95.8	Very high	88.9	Confident	57 Å²	57	58.7 Å²	58.7	31%	0.305	32%	0.318	S	S	.	.			trans	-63.8	148.5	176.8	-171.9	-84.8	0	0	0	111.5	H148 V149 T150 S351 L352	H148-N349 PolarHBondContact NE2-ND2 3.5Å; V149-N349 WeakPolarHBondContact O-CB 3.44Å; V149-N349 PolarHBondContact O-N 3.49Å; T150-N349 HydrophobicContact CG2-CB 3.9Å; N349-S351 PolarHBondContact O-N 3Å; N349-S351 WeakPolarHBondContact OD1-CB 3.41Å; N349-S351 PolarHBondContact OD1-N 3.44Å; N349-S351 PolarHBondContact OD1-OG 3.22Å; N349-L352 HydrophobicContact CB-CD1 4.13Å; N349-L352 WeakPolarHBondContact O-CB 3.19Å; N349-L352 PolarHBondContact O-N 3.12Å
350	K	92.8	Very high	87.8	Confident	196 Å²	196	60.8 Å²	60.8	85%	0.852	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-54.2	-27.6	178.4	-67.8	-177.5	-179.8	176.7	0	113.4	L352 R353	K350-L352 PolarHBondContact O-N 2.77Å; K350-R353 PolarHBondContact O-N 2.86Å
351	S	89.8	Confident	87.1	Confident	48 Å²	48	61.5 Å²	61.5	34%	0.336	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-54.7	-34.4	174.4	53.6	0	0	0	0	113.1	L151 N349 R353	L151-S351 VanDerWaalsContact CD2-C 3.43Å; L151-S351 VanDerWaalsContact CD2-O 3.24Å; L151-S351 WeakPolarHBondContact CD2-O 3.42Å; N349-S351 PolarHBondContact O-N 3Å; N349-S351 WeakPolarHBondContact OD1-CB 3.41Å; N349-S351 PolarHBondContact OD1-N 3.44Å; N349-S351 PolarHBondContact OD1-OG 3.22Å; S351-R353 PolarHBondContact O-N 3.12Å
352	L	93.4	Very high	86.5	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-70.6	-16.1	179.1	-77.1	72.4	0	0	0	113.2	V149 L151 F348 N349 K350 L354 S376 L379	V149-L352 HydrophobicContact CB-CD2 4.31Å; V149-L352 HydrophobicContact CG1-CD2 3.72Å; V149-L352 WeakPolarHBondContact O-CD1 3.41Å; L151-L352 HydrophobicContact CD2-CD1 4.16Å; L151-L352 HydrophobicContact CD2-CG 4.26Å; F348-L352 HydrophobicContact CB-CD2 4.29Å; F348-L352 HydrophobicContact CD1-CD2 3.72Å; F348-L352 HydrophobicContact CG-CD2 4.46Å; N349-L352 HydrophobicContact CB-CD1 4.13Å; N349-L352 WeakPolarHBondContact O-CB 3.19Å; N349-L352 PolarHBondContact O-N 3.12Å; K350-L352 PolarHBondContact O-N 2.77Å; L352-L354 PolarHBondContact O-N 3.15Å; L352-S376 VanDerWaalsContact C-OG 3.26Å; L352-S376 VanDerWaalsContact CA-OG 3.31Å; L352-S376 WeakPolarHBondContact CA-OG 3.43Å; L352-S376 PolarHBondContact O-OG 2.73Å; L352-L379 HydrophobicContact CD2-CD1 3.63Å; L352-L379 HydrophobicContact CG-CD1 4.38Å
353	R	92.3	Very high	86.3	Confident	178 Å²	178	69 Å²	69	67%	0.672	37%	0.366	S	S	*	.			trans	53	24.9	-177.4	-57.7	172	66.9	-171.3	3.3	113.4	K350 S351 N355	K350-R353 PolarHBondContact O-N 2.86Å; S351-R353 PolarHBondContact O-N 3.12Å; R353-N355 PolarHBondContact O-N 3.16Å; R353-N355 PolarHBondContact O-ND2 3.19Å
354	L	91.8	Very high	86.2	Confident	21 Å²	21	69 Å²	69	11%	0.11	37%	0.366	C	S	.	.			trans	-75.4	119.6	174.9	-171.8	66	0	0	0	108.6	F343 F345 F348 L352 P365 I381	F343-L354 HydrophobicContact CE1-CD2 3.94Å; F343-L354 HydrophobicContact CZ-CD2 4.31Å; F345-L354 HydrophobicContact CD1-CG 4.25Å; F345-L354 HydrophobicContact CE1-CG 4.14Å; F348-L354 HydrophobicContact CB-CD2 4.42Å; F348-L354 HydrophobicContact CD1-CD2 4.12Å; F348-L354 HydrophobicContact CD2-CD2 3.71Å; F348-L354 HydrophobicContact CE1-CD2 4.31Å; F348-L354 HydrophobicContact CE2-CD2 3.92Å; F348-L354 HydrophobicContact CG-CD2 3.81Å; F348-L354 HydrophobicContact CZ-CD2 4.22Å; L352-L354 PolarHBondContact O-N 3.15Å; L354-P365 HydrophobicContact CD1-CB 3.93Å; L354-P365 HydrophobicContact CG-CB 4.49Å; L354-I381 HydrophobicContact CD1-CD1 4.35Å; L354-I381 HydrophobicContact CD2-CD1 4.44Å
355	N	87.8	Confident	86.1	Confident	81 Å²	81	67 Å²	67	43%	0.433	36%	0.355	S	S	.	.			trans	-145.3	172.8	179.1	65.3	70.1	0	0	0	109.3	R353 G357 L366	R353-N355 PolarHBondContact O-N 3.16Å; R353-N355 PolarHBondContact O-ND2 3.19Å; N355-G357 PolarHBondContact OD1-N 3.2Å; N355-G357 VanDerWaalsContact OD1-N 3.14Å; N355-L366 WeakPolarHBondContact O-CB 3.47Å; N355-L366 PolarHBondContact O-N 3.18Å
356	S	81.8	Confident	86	Confident	27 Å²	27	67.1 Å²	67.1	19%	0.189	36%	0.358	C	S	.	.			trans	-87.6	-20.3	-173.6	62	0	0	0	0	115.1	G361 Y364	S356-G361 WeakPolarHBondContact CB-O 3.49Å; S356-G361 PolarHBondContact OG-O 3.46Å; S356-Y364 WeakPolarHBondContact CA-O 3.44Å; S356-Y364 WeakPolarHBondContact CB-O 3.27Å
357	G	66.9	Low	85.9	Confident	11 Å²	11	63 Å²	63	11%	0.113	33%	0.328	C	S	.	.			trans	63.6	144.2	-174.3	0	0	0	0	0	113	N355 A359	N355-G357 PolarHBondContact OD1-N 3.2Å; N355-G357 VanDerWaalsContact OD1-N 3.14Å; G357-A359 PolarHBondContact O-N 3.43Å
358	N	59.9	Low	85.9	Confident	174 Å²	174	68.4 Å²	68.4	93%	0.93	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-60.9	-15	-168.2	-65.9	-7.2	0	0	0	115.7	F360	N358-F360 PolarHBondContact O-N 2.63Å
359	A	64.2	Low	85.8	Confident	77 Å²	77	68.5 Å²	68.5	64%	0.636	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-67.5	-31.5	-172.8	0	0	0	0	0	114.7	G357	G357-A359 PolarHBondContact O-N 3.43Å
360	F	70.6	Confident	85.7	Confident	79 Å²	79	66 Å²	66	35%	0.346	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-131.4	21	-174.2	-54.9	-62.1	0	0	0	113.6	N358 K362 K363 Y364 S388 Y391	N358-F360 PolarHBondContact O-N 2.63Å; F360-K362 PolarHBondContact O-N 2.69Å; F360-K363 WeakPolarHBondContact O-CB 3.33Å; F360-K363 PolarHBondContact O-N 2.97Å; F360-Y364 HydrophobicContact CB-CD2 4.26Å; F360-Y364 HydrophobicContact CG-CD2 4.4Å; F360-S388 WeakPolarHBondContact CE2-O 3.24Å; F360-Y391 AromaticContact CD1-CD1 3.94Å; F360-Y391 HydrophobicContact CD1-CD1 3.94Å; F360-Y391 HydrophobicContact CD1-CE1 4.42Å; F360-Y391 AromaticContact CE1-CD1 3.71Å; F360-Y391 HydrophobicContact CE1-CD1 3.71Å; F360-Y391 HydrophobicContact CE1-CG 4.46Å; F360-Y391 HydrophobicContact CZ-CD1 4.47Å
361	G	79	Confident	85.9	Confident	44 Å²	44	56.7 Å²	56.7	45%	0.454	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	-133.3	-177.5	0	0	0	0	0	110.9	S356	S356-G361 WeakPolarHBondContact CB-O 3.49Å; S356-G361 PolarHBondContact OG-O 3.46Å
362	K	81.9	Confident	86.3	Confident	157 Å²	157	54.8 Å²	54.8	68%	0.683	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	2.4	177.3	-64.8	179.6	-179.5	176.1	0	113.8	N342 F360	N342-K362 HydrophobicContact CB-CB 4.47Å; F360-K362 PolarHBondContact O-N 2.69Å
363	K	91.6	Very high	86.4	Confident	58 Å²	58	54.9 Å²	54.9	25%	0.252	28%	0.284	S	S	.	.	S	Bend	trans	-66.8	-45.5	-168.4	-173	170.4	-176.5	173.9	0	113.5	L184 N342 F343 F360 Y391	L184-K363 VanDerWaalsContact CD2-O 3.29Å; L184-K363 WeakPolarHBondContact CD2-O 3.37Å; N342-K363 VanDerWaalsContact OD1-CA 3.3Å; N342-K363 WeakPolarHBondContact OD1-CA 3.26Å; N342-K363 PolarHBondContact OD1-N 3.07Å; F343-K363 PolarHBondContact N-O 3.38Å; F343-K363 VanDerWaalsContact N-O 3.11Å; F360-K363 WeakPolarHBondContact O-CB 3.33Å; F360-K363 PolarHBondContact O-N 2.97Å; K363-Y391 PolarHBondContact NZ-OH 3.48Å
364	Y	94.4	Very high	86.4	Confident	5 Å²	5	52 Å²	52	2%	0.02	28%	0.277	C	S	.	.	S	Bend	trans	-131.8	152.7	-176	-60.2	-66.1	0	0	0	111.2	L184 S356 F360 T384 H387 Y391	L184-Y364 HydrophobicContact CD1-CD1 4.4Å; L184-Y364 HydrophobicContact CD1-CE1 3.75Å; L184-Y364 HydrophobicContact CD2-CD1 4.03Å; L184-Y364 HydrophobicContact CD2-CE1 4.17Å; L184-Y364 HydrophobicContact CG-CE1 4.4Å; S356-Y364 WeakPolarHBondContact CA-O 3.44Å; S356-Y364 WeakPolarHBondContact CB-O 3.27Å; F360-Y364 HydrophobicContact CB-CD2 4.26Å; F360-Y364 HydrophobicContact CG-CD2 4.4Å; Y364-T384 VanDerWaalsContact CE1-O 3.32Å; Y364-T384 WeakPolarHBondContact CE1-O 3.34Å; Y364-H387 HydrophobicContact CE1-CB 3.97Å; Y364-H387 PolarHBondContact OH-CD2 3.09Å; Y364-Y391 AromaticContact CE2-CD2 3.52Å; Y364-Y391 HydrophobicContact CE2-CD2 3.52Å; Y364-Y391 AromaticContact CE2-CE2 3.88Å; Y364-Y391 HydrophobicContact CE2-CE2 3.88Å; Y364-Y391 AromaticContact CE2-CG 3.88Å; Y364-Y391 HydrophobicContact CE2-CG 3.88Å; Y364-Y391 AromaticContact CZ-CD2 3.9Å; Y364-Y391 WeakPolarHBondContact OH-CD2 3.32Å
365	P	93.7	Very high	86.4	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.			trans	-70.1	150.3	168.6	29.6	-34.2	0	0	0	112.4	F343 F345 L354 I367 I381 A385 S388	F343-P365 HydrophobicContact CD1-CB 4.49Å; F343-P365 HydrophobicContact CD1-CG 4.48Å; F343-P365 HydrophobicContact CD2-CG 4.25Å; F343-P365 HydrophobicContact CE2-CG 4.33Å; F343-P365 HydrophobicContact CG-CG 4.31Å; F343-P365 HydrophobicContact CZ-CG 4.48Å; F345-P365 HydrophobicContact CE1-CB 4.12Å; F345-P365 HydrophobicContact CZ-CB 4.23Å; L354-P365 HydrophobicContact CD1-CB 3.93Å; L354-P365 HydrophobicContact CG-CB 4.49Å; P365-I367 HydrophobicContact CB-CG2 4.38Å; P365-I367 HydrophobicContact CG-CG2 4.4Å; P365-I367 PolarHBondContact O-N 3.15Å; P365-I381 HydrophobicContact CB-CG1 4.35Å; P365-I381 HydrophobicContact CG-CB 4.34Å; P365-I381 HydrophobicContact CG-CD1 4.29Å; P365-I381 HydrophobicContact CG-CG1 3.84Å; P365-I381 HydrophobicContact CG-CG2 3.81Å; P365-A385 WeakPolarHBondContact CD-O 3.45Å; P365-S388 PolarHBondContact O-OG 3.37Å
366	L	91.4	Very high	86.7	Confident	55 Å²	55	48.6 Å²	48.6	29%	0.288	26%	0.264	S	S	.	.			trans	-80.6	106.5	174.9	-177.4	65.5	0	0	0	110.6	N355 K374	N355-L366 WeakPolarHBondContact O-CB 3.47Å; N355-L366 PolarHBondContact O-N 3.18Å; L366-K374 HydrophobicContact CD1-CD 4.24Å; L366-K374 HydrophobicContact CD2-CD 3.93Å; L366-K374 HydrophobicContact CG-CD 3.77Å; L366-K374 HydrophobicContact CG-CG 4.21Å; L366-K374 PolarHBondContact O-N 3.41Å
367	I	94.4	Very high	87.3	Confident	13 Å²	13	53.6 Å²	53.6	7%	0.067	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-123.1	167.4	-178.3	65.8	-173.1	0	0	0	112.1	P365 Y371 E372 K374 I381 S388 V389	P365-I367 HydrophobicContact CB-CG2 4.38Å; P365-I367 HydrophobicContact CG-CG2 4.4Å; P365-I367 PolarHBondContact O-N 3.15Å; I367-Y371 HydrophobicContact CD1-CD1 4.27Å; I367-E372 CarbonylContact C-O 3.32Å; I367-E372 WeakPolarHBondContact CA-O 3.29Å; I367-E372 WeakPolarHBondContact CB-O 3.35Å; I367-K374 WeakPolarHBondContact O-CE 3.36Å; I367-I381 HydrophobicContact CD1-CB 4.21Å; I367-I381 HydrophobicContact CG2-CB 4.04Å; I367-I381 HydrophobicContact CG2-CG1 3.48Å; I367-I381 VanDerWaalsContact CG2-CG1 3.48Å; I367-S388 WeakPolarHBondContact CG1-OG 3.13Å; I367-V389 HydrophobicContact CD1-CG2 3.83Å; I367-V389 HydrophobicContact CG1-CG2 3.73Å
368	R	94.2	Very high	88.7	Confident	136 Å²	136	53 Å²	53	51%	0.513	27%	0.273	S	S	.	.			trans	-84.8	170	173.1	-60.8	-178.6	179.6	-156.5	-1.7	110.1	S370 Y371 E372 K374	R368-S370 WeakPolarHBondContact CB-OG 3.15Å; R368-S370 PolarHBondContact O-N 3.27Å; R368-Y371 WeakPolarHBondContact O-CA 3.37Å; R368-Y371 PolarHBondContact O-N 3.06Å; R368-E372 PolarHBondContact N-O 3.34Å; R368-K374 HydrophobicContact CG-CG 3.82Å
369	A	93.5	Very high	90.5	Very high	21 Å²	21	44.8 Å²	44.8	17%	0.174	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.9	171	0	0	0	0	0	113.8	Y371 Q475 M476	A369-Y371 PolarHBondContact O-N 3.29Å; A369-Q475 HydrophobicContact CB-CB 3.61Å; A369-M476 HydrophobicContact CB-CG 3.81Å
370	S	95.2	Very high	92.1	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.028	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	0.2	169.2	51.8	0	0	0	0	114.1	R368 E372 M476	R368-S370 WeakPolarHBondContact CB-OG 3.15Å; R368-S370 PolarHBondContact O-N 3.27Å; S370-E372 PolarHBondContact O-N 2.95Å; S370-E372 VanDerWaalsContact O-N 3.13Å; S370-E372 VanDerWaalsContact OG-CB 3.28Å; S370-E372 WeakPolarHBondContact OG-CB 3.32Å; S370-E372 PolarHBondContact OG-N 2.76Å; S370-M476 WeakPolarHBondContact CA-SD 3.49Å; S370-M476 PolarHBondContact N-SD 3.37Å
371	Y	97.1	Very high	93.4	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	18%	0.182	C	C	.	.	S	Bend	trans	62.8	9.3	-169.3	-49.4	-86	0	0	0	114.4	I367 R368 A369 F380 I381 V389 T405 V409	I367-Y371 HydrophobicContact CD1-CD1 4.27Å; R368-Y371 WeakPolarHBondContact O-CA 3.37Å; R368-Y371 PolarHBondContact O-N 3.06Å; A369-Y371 PolarHBondContact O-N 3.29Å; Y371-F380 WeakPolarHBondContact O-CA 3.26Å; Y371-I381 PolarHBondContact O-N 2.93Å; Y371-V389 HydrophobicContact CD1-CB 4.48Å; Y371-V389 HydrophobicContact CD1-CG2 3.91Å; Y371-V389 HydrophobicContact CE1-CB 3.98Å; Y371-V389 HydrophobicContact CE1-CG1 4.19Å; Y371-V389 HydrophobicContact CE1-CG2 3.9Å; Y371-T405 HydrophobicContact CE1-CG2 4.3Å; Y371-T405 HydrophobicContact CE2-CG2 4.48Å; Y371-T405 WeakPolarHBondContact OH-CG2 3.42Å; Y371-V409 HydrophobicContact CD2-CG2 3.46Å; Y371-V409 VanDerWaalsContact CD2-CG2 3.46Å; Y371-V409 HydrophobicContact CE2-CG2 4.4Å; Y371-V409 HydrophobicContact CG-CG2 3.85Å
372	E	96.8	Very high	94.4	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.037	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-80.8	143.1	173.6	-164.5	172.4	-165.6	0	0	110.5	I367 R368 S370 R377 G378 L379 F380 R416	I367-E372 CarbonylContact C-O 3.32Å; I367-E372 WeakPolarHBondContact CA-O 3.29Å; I367-E372 WeakPolarHBondContact CB-O 3.35Å; R368-E372 PolarHBondContact N-O 3.34Å; S370-E372 PolarHBondContact O-N 2.95Å; S370-E372 VanDerWaalsContact O-N 3.13Å; S370-E372 VanDerWaalsContact OG-CB 3.28Å; S370-E372 WeakPolarHBondContact OG-CB 3.32Å; S370-E372 PolarHBondContact OG-N 2.76Å; E372-R377 WeakPolarHBondContact OE1-CA 3.2Å; E372-R377 WeakPolarHBondContact OE1-CG 3.42Å; E372-G378 PolarHBondContact OE1-N 3.05Å; E372-L379 CarbonylContact C-O 3.47Å; E372-L379 WeakPolarHBondContact CA-O 3.02Å; E372-F380 HydrophobicContact CB-CD1 3.85Å; E372-F380 HydrophobicContact CB-CE1 3.63Å; E372-F380 HydrophobicContact CB-CG 4.47Å; E372-F380 HydrophobicContact CB-CZ 4.05Å; E372-F380 HydrophobicContact CG-CD1 4.33Å; E372-F380 HydrophobicContact CG-CD2 4.48Å; E372-F380 HydrophobicContact CG-CE1 4Å; E372-F380 HydrophobicContact CG-CE2 4.14Å; E372-F380 HydrophobicContact CG-CZ 3.89Å; E372-R416 VanDerWaalsContact CD-NH1 3.29Å; E372-R416 IonicContact OE1-NH1 3.76Å; E372-R416 PolarHBondContact OE1-NH1 3.16Å; E372-R416 IonicContact OE2-CZ 2.84Å; E372-R416 IonicContact OE2-NH1 2.73Å; E372-R416 PolarHBondContact OE2-NH1 3.32Å; E372-R416 IonicContact OE2-NH2 3.95Å
373	S	95.6	Very high	95.1	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.021	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-54.8	139.3	171.8	174.4	0	0	0	0	111.1	G375 S376 L379	S373-G375 PolarHBondContact O-N 3.09Å; S373-G375 PolarHBondContact OG-N 3.08Å; S373-S376 PolarHBondContact OG-N 3.07Å; S373-L379 WeakPolarHBondContact CB-O 3.49Å; S373-L379 PolarHBondContact N-O 3.48Å
374	K	92.8	Very high	95.4	Very high	117 Å²	117	27.5 Å²	27.5	51%	0.509	13%	0.132	S	C	.	.	S	Bend	trans	-69.6	-24.8	170.4	-68.8	-161.4	-172.7	177.8	0	112.5	L366 I367 R368	L366-K374 HydrophobicContact CD1-CD 4.24Å; L366-K374 HydrophobicContact CD2-CD 3.93Å; L366-K374 HydrophobicContact CG-CD 3.77Å; L366-K374 HydrophobicContact CG-CG 4.21Å; L366-K374 PolarHBondContact O-N 3.41Å; I367-K374 WeakPolarHBondContact O-CE 3.36Å; R368-K374 HydrophobicContact CG-CG 3.82Å
375	G	91.3	Very high	95.5	Very high	21 Å²	21	27.3 Å²	27.3	22%	0.216	13%	0.131	C	C	.	.	S	Bend	trans	-87.3	-35.5	-172.9	0	0	0	0	0	114.7	S373	S373-G375 PolarHBondContact O-N 3.09Å; S373-G375 PolarHBondContact OG-N 3.08Å
376	S	94.1	Very high	95.6	Very high	9 Å²	9	27.3 Å²	27.3	6%	0.063	13%	0.131	C	C	.	.	S	Bend	trans	-137.3	126.6	-174.1	-69.5	0	0	0	0	112	L352 S373	L352-S376 VanDerWaalsContact C-OG 3.26Å; L352-S376 VanDerWaalsContact CA-OG 3.31Å; L352-S376 WeakPolarHBondContact CA-OG 3.43Å; L352-S376 PolarHBondContact O-OG 2.73Å; S373-S376 PolarHBondContact OG-N 3.07Å
377	R	95.1	Very high	95.7	Very high	132 Å²	132	24.8 Å²	24.8	50%	0.498	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	132.2	177.6	-173.6	-179.3	-176.6	-160.2	-5.1	110.4	W158 N159 H161 E372	W158-R377 HydrophobicContact CH2-CG 3.96Å; W158-R377 HydrophobicContact CZ3-CG 3.99Å; W158-R377 VanDerWaalsContact CZ3-NE 3.35Å; W158-R377 PolarHBondContact O-NH1 2.98Å; N159-R377 HydrophobicContact CB-CB 4.19Å; N159-R377 HydrophobicContact CB-CG 3.98Å; N159-R377 PolarHBondContact ND2-O 3.21Å; H161-R377 PolarHBondContact CE1-O 3.08Å; H161-R377 PolarHBondContact NE2-O 2.95Å; H161-R377 VanDerWaalsContact NE2-O 3.13Å; E372-R377 WeakPolarHBondContact OE1-CA 3.2Å; E372-R377 WeakPolarHBondContact OE1-CG 3.42Å
378	G	96	Very high	95.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	1.7	-175.7	0	0	0	0	0	114.6	F163 V177 L178 E372	F163-G378 WeakPolarHBondContact CE2-O 3.37Å; V177-G378 WeakPolarHBondContact CA-O 3.33Å; V177-G378 WeakPolarHBondContact CG1-O 3.11Å; L178-G378 PolarHBondContact N-O 2.78Å; E372-G378 PolarHBondContact OE1-N 3.05Å
379	L	97.9	Very high	95.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.6	170.6	-166.1	168.3	0	0	0	109.2	F163 L178 V180 L352 E372 S373 I381	F163-L379 HydrophobicContact CE1-CB 3.98Å; F163-L379 HydrophobicContact CE1-CD1 4.21Å; F163-L379 HydrophobicContact CE1-CG 4.42Å; F163-L379 HydrophobicContact CZ-CB 3.79Å; L178-L379 HydrophobicContact CB-CG 4.42Å; L178-L379 HydrophobicContact CD2-CD1 4.2Å; L178-L379 HydrophobicContact CD2-CG 4.17Å; L178-L379 HydrophobicContact CG-CG 4.39Å; L178-L379 CarbonylContact O-C 3.55Å; L178-L379 WeakPolarHBondContact O-CA 3.27Å; V180-L379 HydrophobicContact CG2-CD2 3.9Å; V180-L379 HydrophobicContact CG2-CG 4.46Å; L352-L379 HydrophobicContact CD2-CD1 3.63Å; L352-L379 HydrophobicContact CG-CD1 4.38Å; E372-L379 CarbonylContact C-O 3.47Å; E372-L379 WeakPolarHBondContact CA-O 3.02Å; S373-L379 WeakPolarHBondContact CB-O 3.49Å; S373-L379 PolarHBondContact N-O 3.48Å; L379-I381 HydrophobicContact CD2-CD1 3.55Å; L379-I381 HydrophobicContact CD2-CG1 4.37Å
380	F	98.3	Very high	95.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.8	178.4	-64.4	-103.1	0	0	0	111.1	V177 L178 L179 V180 Y371 E372 V409 L413	V177-F380 HydrophobicContact CG1-CD2 4.02Å; V177-F380 HydrophobicContact CG1-CE2 4.2Å; L178-F380 PolarHBondContact O-N 2.52Å; L179-F380 HydrophobicContact CD2-CB 3.9Å; L179-F380 HydrophobicContact CD2-CD2 4.31Å; L179-F380 HydrophobicContact CD2-CG 4.32Å; V180-F380 PolarHBondContact N-O 3.31Å; Y371-F380 WeakPolarHBondContact O-CA 3.26Å; E372-F380 HydrophobicContact CB-CD1 3.85Å; E372-F380 HydrophobicContact CB-CE1 3.63Å; E372-F380 HydrophobicContact CB-CG 4.47Å; E372-F380 HydrophobicContact CB-CZ 4.05Å; E372-F380 HydrophobicContact CG-CD1 4.33Å; E372-F380 HydrophobicContact CG-CD2 4.48Å; E372-F380 HydrophobicContact CG-CE1 4Å; E372-F380 HydrophobicContact CG-CE2 4.14Å; E372-F380 HydrophobicContact CG-CZ 3.89Å; F380-V409 HydrophobicContact CB-CG1 4.37Å; F380-V409 HydrophobicContact CD1-CG1 3.74Å; F380-V409 HydrophobicContact CE1-CG1 4.28Å; F380-V409 HydrophobicContact CG-CG1 4.16Å; F380-L413 HydrophobicContact CD2-CD2 4.26Å; F380-L413 HydrophobicContact CE1-CD2 4.5Å; F380-L413 HydrophobicContact CE2-CD2 3.56Å; F380-L413 HydrophobicContact CZ-CD2 3.69Å; F380-L413 HydrophobicContact CZ-CG 4.45Å
381	I	98.3	Very high	95.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.2	174.6	-52.3	-58.1	0	0	0	108.2	V180 F343 L354 P365 I367 Y371 L379 A385 S386	V180-I381 HydrophobicContact CB-CD1 3.71Å; V180-I381 HydrophobicContact CG1-CD1 4.23Å; V180-I381 HydrophobicContact CG2-CD1 3.99Å; F343-I381 HydrophobicContact CZ-CD1 4.4Å; L354-I381 HydrophobicContact CD1-CD1 4.35Å; L354-I381 HydrophobicContact CD2-CD1 4.44Å; P365-I381 HydrophobicContact CB-CG1 4.35Å; P365-I381 HydrophobicContact CG-CB 4.34Å; P365-I381 HydrophobicContact CG-CD1 4.29Å; P365-I381 HydrophobicContact CG-CG1 3.84Å; P365-I381 HydrophobicContact CG-CG2 3.81Å; I367-I381 HydrophobicContact CD1-CB 4.21Å; I367-I381 HydrophobicContact CG2-CB 4.04Å; I367-I381 HydrophobicContact CG2-CG1 3.48Å; I367-I381 VanDerWaalsContact CG2-CG1 3.48Å; Y371-I381 PolarHBondContact O-N 2.93Å; L379-I381 HydrophobicContact CD2-CD1 3.55Å; L379-I381 HydrophobicContact CD2-CG1 4.37Å; I381-A385 HydrophobicContact CG2-CB 3.48Å; I381-A385 VanDerWaalsContact CG2-CB 3.48Å; I381-S386 WeakPolarHBondContact O-CB 3.37Å
382	L	98.6	Very high	95.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	12%	0.123	C	C	.	.			trans	-122.6	160.7	-175.5	-54.9	-178.4	0	0	0	111.8	A41 M45 L179 V180 A181 V406 V409	A41-L382 HydrophobicContact CB-CB 4.26Å; M45-L382 HydrophobicContact CB-CD1 3.86Å; M45-L382 HydrophobicContact CE-CD1 3.76Å; M45-L382 HydrophobicContact CE-CD2 4.04Å; M45-L382 HydrophobicContact CG-CD1 3.88Å; L179-L382 HydrophobicContact CB-CD1 4.02Å; L179-L382 HydrophobicContact CD2-CD1 4.36Å; V180-L382 PolarHBondContact O-N 3.17Å; A181-L382 HydrophobicContact CB-CB 4.22Å; L382-V406 HydrophobicContact CB-CG2 4.28Å; L382-V406 HydrophobicContact CD2-CG2 4.43Å; L382-V409 HydrophobicContact CD2-CB 4.14Å; L382-V409 HydrophobicContact CD2-CG1 3.98Å; L382-V409 HydrophobicContact CD2-CG2 4.07Å
383	G	97.8	Very high	94.9	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.021	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	67.8	-150	174.7	0	0	0	0	0	113.3	A41 A385 S386	A41-G383 VanDerWaalsContact CB-CA 3.41Å; G383-A385 PolarHBondContact O-N 3.31Å; G383-A385 VanDerWaalsContact O-N 3.07Å; G383-S386 WeakPolarHBondContact O-CB 3.25Å; G383-S386 PolarHBondContact O-N 3.46Å; G383-S386 PolarHBondContact O-OG 2.82Å
384	T	96.5	Very high	94.8	Very high	50 Å²	50	29.5 Å²	29.5	31%	0.307	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-55.9	-30.5	-177.4	-52.6	0	0	0	0	113.6	L184 Y364 S386 H387 G397	L184-T384 HydrophobicContact CD1-CG2 4.17Å; L184-T384 HydrophobicContact CG-CG2 4.19Å; Y364-T384 VanDerWaalsContact CE1-O 3.32Å; Y364-T384 WeakPolarHBondContact CE1-O 3.34Å; T384-S386 PolarHBondContact O-N 3.35Å; T384-H387 WeakPolarHBondContact O-CB 2.9Å; T384-H387 PolarHBondContact O-N 3.45Å; T384-G397 PolarHBondContact OG1-O 3.46Å
385	A	96	Very high	95	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-67.8	-24.9	177.3	0	0	0	0	0	112.9	L184 F343 P365 I381 G383 H387	L184-A385 HydrophobicContact CD2-CB 4.49Å; F343-A385 HydrophobicContact CD2-CB 3.65Å; F343-A385 HydrophobicContact CE2-CB 3.78Å; P365-A385 WeakPolarHBondContact CD-O 3.45Å; I381-A385 HydrophobicContact CG2-CB 3.48Å; I381-A385 VanDerWaalsContact CG2-CB 3.48Å; G383-A385 PolarHBondContact O-N 3.31Å; G383-A385 VanDerWaalsContact O-N 3.07Å; A385-H387 PolarHBondContact O-N 3.07Å
386	S	95.9	Very high	95.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-83.2	-1.4	179	85.9	0	0	0	0	113.1	I381 G383 T384 S388 V389	I381-S386 WeakPolarHBondContact O-CB 3.37Å; G383-S386 WeakPolarHBondContact O-CB 3.25Å; G383-S386 PolarHBondContact O-N 3.46Å; G383-S386 PolarHBondContact O-OG 2.82Å; T384-S386 PolarHBondContact O-N 3.35Å; S386-S388 PolarHBondContact O-N 2.9Å; S386-V389 PolarHBondContact O-N 3.38Å
387	H	94.9	Very high	95.3	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-67.8	-4.1	-176.2	-166.2	38.4	0	0	0	113.4	Y255 Y364 T384 A385 V389 D390 Y391 S394 G397	Y255-H387 AromaticContact CE2-CE1 3.93Å; Y255-H387 AromaticContact CE2-NE2 3.18Å; Y255-H387 WeakPolarHBondContact CE2-NE2 3.18Å; Y255-H387 AromaticContact CZ-NE2 3.58Å; Y255-H387 PolarHBondContact OH-NE2 2.93Å; Y364-H387 HydrophobicContact CE1-CB 3.97Å; Y364-H387 PolarHBondContact OH-CD2 3.09Å; T384-H387 WeakPolarHBondContact O-CB 2.9Å; T384-H387 PolarHBondContact O-N 3.45Å; A385-H387 PolarHBondContact O-N 3.07Å; H387-V389 PolarHBondContact O-N 2.86Å; H387-V389 VanDerWaalsContact O-N 3.16Å; H387-D390 PolarHBondContact CE1-O 2.78Å; H387-D390 IonicContact CE1-OD1 3.32Å; H387-D390 IonicContact CE1-OD2 3.42Å; H387-D390 IonicContact CG-OD1 2.7Å; H387-D390 VanDerWaalsContact ND1-CG 3.26Å; H387-D390 IonicContact ND1-OD1 3.42Å; H387-D390 PolarHBondContact ND1-OD1 3.09Å; H387-D390 IonicContact ND1-OD2 3.53Å; H387-D390 PolarHBondContact ND1-OD2 3.34Å; H387-D390 CarbonylContact O-C 3.47Å; H387-D390 PolarHBondContact O-N 2.86Å; H387-Y391 AromaticContact CD2-CD2 3.72Å; H387-Y391 AromaticContact NE2-CD2 3.84Å; H387-Y391 VanDerWaalsContact O-CA 3.25Å; H387-Y391 WeakPolarHBondContact O-CA 3.29Å; H387-Y391 VanDerWaalsContact O-CB 3.26Å; H387-Y391 WeakPolarHBondContact O-CB 3.29Å; H387-Y391 PolarHBondContact O-N 3.08Å; H387-S394 PolarHBondContact CE1-O 3.24Å; H387-G397 PolarHBondContact CE1-N 2.93Å; H387-G397 VanDerWaalsContact CG-CA 3.44Å; H387-G397 PolarHBondContact ND1-N 3.19Å
388	S	92	Very high	95.4	Very high	19 Å²	19	18.7 Å²	18.7	13%	0.133	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-58.9	-21.5	169	46.8	0	0	0	0	113.8	F360 P365 I367 S386	F360-S388 WeakPolarHBondContact CE2-O 3.24Å; P365-S388 PolarHBondContact O-OG 3.37Å; I367-S388 WeakPolarHBondContact CG1-OG 3.13Å; S386-S388 PolarHBondContact O-N 2.9Å
389	V	92.8	Very high	95.5	Very high	27 Å²	27	19.5 Å²	19.5	16%	0.164	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-73.9	-32.8	177.4	176.7	0	0	0	0	112.2	I367 Y371 S386 H387	I367-V389 HydrophobicContact CD1-CG2 3.83Å; I367-V389 HydrophobicContact CG1-CG2 3.73Å; Y371-V389 HydrophobicContact CD1-CB 4.48Å; Y371-V389 HydrophobicContact CD1-CG2 3.91Å; Y371-V389 HydrophobicContact CE1-CB 3.98Å; Y371-V389 HydrophobicContact CE1-CG1 4.19Å; Y371-V389 HydrophobicContact CE1-CG2 3.9Å; S386-V389 PolarHBondContact O-N 3.38Å; H387-V389 PolarHBondContact O-N 2.86Å; H387-V389 VanDerWaalsContact O-N 3.16Å
390	D	93.8	Very high	95.5	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.011	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.9	24.3	-171.3	72.1	-46	0	0	0	113.6	H387 R392 K393 S394 G396 V452	H387-D390 PolarHBondContact CE1-O 2.78Å; H387-D390 IonicContact CE1-OD1 3.32Å; H387-D390 IonicContact CE1-OD2 3.42Å; H387-D390 IonicContact CG-OD1 2.7Å; H387-D390 VanDerWaalsContact ND1-CG 3.26Å; H387-D390 IonicContact ND1-OD1 3.42Å; H387-D390 PolarHBondContact ND1-OD1 3.09Å; H387-D390 IonicContact ND1-OD2 3.53Å; H387-D390 PolarHBondContact ND1-OD2 3.34Å; H387-D390 CarbonylContact O-C 3.47Å; H387-D390 PolarHBondContact O-N 2.86Å; D390-R392 PolarHBondContact O-N 3.05Å; D390-K393 HydrophobicContact CB-CB 4.37Å; D390-K393 WeakPolarHBondContact O-CA 3.46Å; D390-K393 WeakPolarHBondContact O-CB 3.35Å; D390-K393 PolarHBondContact O-N 2.98Å; D390-S394 PolarHBondContact O-N 2.84Å; D390-S394 VanDerWaalsContact O-N 3.12Å; D390-S394 WeakPolarHBondContact OD2-CB 3.19Å; D390-G396 WeakPolarHBondContact OD2-CA 3.15Å; D390-G396 PolarHBondContact OD2-N 2.76Å; D390-V452 HydrophobicContact CB-CG1 4.48Å; D390-V452 HydrophobicContact CB-CG2 3.62Å
391	Y	93.6	Very high	95.4	Very high	53 Å²	53	19.7 Å²	19.7	21%	0.208	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	122.8	-178.9	-179.3	-118.9	0	0	0	111	Y255 F360 K363 Y364 H387 K393	Y255-Y391 HydrophobicContact CE1-CE2 4.4Å; Y255-Y391 WeakPolarHBondContact OH-CE2 3.39Å; F360-Y391 AromaticContact CD1-CD1 3.94Å; F360-Y391 HydrophobicContact CD1-CD1 3.94Å; F360-Y391 HydrophobicContact CD1-CE1 4.42Å; F360-Y391 AromaticContact CE1-CD1 3.71Å; F360-Y391 HydrophobicContact CE1-CD1 3.71Å; F360-Y391 HydrophobicContact CE1-CG 4.46Å; F360-Y391 HydrophobicContact CZ-CD1 4.47Å; K363-Y391 PolarHBondContact NZ-OH 3.48Å; Y364-Y391 AromaticContact CE2-CD2 3.52Å; Y364-Y391 HydrophobicContact CE2-CD2 3.52Å; Y364-Y391 AromaticContact CE2-CE2 3.88Å; Y364-Y391 HydrophobicContact CE2-CE2 3.88Å; Y364-Y391 AromaticContact CE2-CG 3.88Å; Y364-Y391 HydrophobicContact CE2-CG 3.88Å; Y364-Y391 AromaticContact CZ-CD2 3.9Å; Y364-Y391 WeakPolarHBondContact OH-CD2 3.32Å; H387-Y391 AromaticContact CD2-CD2 3.72Å; H387-Y391 AromaticContact NE2-CD2 3.84Å; H387-Y391 VanDerWaalsContact O-CA 3.25Å; H387-Y391 WeakPolarHBondContact O-CA 3.29Å; H387-Y391 VanDerWaalsContact O-CB 3.26Å; H387-Y391 WeakPolarHBondContact O-CB 3.29Å; H387-Y391 PolarHBondContact O-N 3.08Å; Y391-K393 PolarHBondContact O-N 2.84Å; Y391-K393 VanDerWaalsContact O-N 3.15Å
392	R	91.3	Very high	95.4	Very high	103 Å²	103	20 Å²	20	39%	0.389	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	20.9	-174.8	-65	-179.6	161.5	174.4	-3.2	114.2	Y255 D258 D390	Y255-R392 HydrophobicContact CD1-CB 4.43Å; Y255-R392 HydrophobicContact CD1-CG 3.67Å; Y255-R392 HydrophobicContact CE1-CG 3.63Å; Y255-R392 HydrophobicContact CG-CB 4.42Å; Y255-R392 HydrophobicContact CG-CG 4.13Å; D258-R392 IonicContact OD1-NE 3.53Å; D258-R392 IonicContact OD1-NH2 3.71Å; D390-R392 PolarHBondContact O-N 3.05Å
393	K	90.6	Very high	95.4	Very high	77 Å²	77	20 Å²	20	34%	0.335	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-45.1	175.9	-171.4	-172.7	-176.5	-170.3	0	111.6	D390 Y391 F450 G451 V452	D390-K393 HydrophobicContact CB-CB 4.37Å; D390-K393 WeakPolarHBondContact O-CA 3.46Å; D390-K393 WeakPolarHBondContact O-CB 3.35Å; D390-K393 PolarHBondContact O-N 2.98Å; Y391-K393 PolarHBondContact O-N 2.84Å; Y391-K393 VanDerWaalsContact O-N 3.15Å; K393-F450 WeakPolarHBondContact O-CE2 3.37Å; K393-F450 WeakPolarHBondContact O-CZ 3.45Å; K393-G451 VanDerWaalsContact CE-O 3.3Å; K393-G451 WeakPolarHBondContact CE-O 3.36Å; K393-G451 PolarHBondContact NZ-O 2.68Å; K393-V452 HydrophobicContact CD-CG2 4.29Å
394	S	94.3	Very high	95.4	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.028	10%	0.095	C	C	.	.	S	Bend	trans	-148.4	-169.4	-174.3	-157.1	0	0	0	0	111.5	H387 D390 Q448 M449 F450	H387-S394 PolarHBondContact CE1-O 3.24Å; D390-S394 PolarHBondContact O-N 2.84Å; D390-S394 VanDerWaalsContact O-N 3.12Å; D390-S394 WeakPolarHBondContact OD2-CB 3.19Å; S394-Q448 PolarHBondContact OG-O 3.36Å; S394-M449 WeakPolarHBondContact OG-CA 2.93Å; S394-F450 WeakPolarHBondContact CB-O 3.38Å; S394-F450 PolarHBondContact OG-N 3.37Å; S394-F450 PolarHBondContact OG-O 3.02Å
395	A	95.9	Very high	95.5	Very high	8 Å²	8	17.5 Å²	17.5	7%	0.066	8%	0.081	C	C	.	.	S	Bend	trans	-89.2	9	-170.4	0	0	0	0	0	115.7	G397 F398 G401 Q448 M449	A395-G397 PolarHBondContact O-N 2.75Å; A395-F398 PolarHBondContact O-N 2.62Å; A395-G401 WeakPolarHBondContact O-CA 3.24Å; A395-Q448 WeakPolarHBondContact CB-O 3.42Å; A395-M449 HydrophobicContact CB-SD 4.48Å
396	G	95.8	Very high	95.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-7.7	-175.6	0	0	0	0	0	115.4	D390 F398 F402	D390-G396 WeakPolarHBondContact OD2-CA 3.15Å; D390-G396 PolarHBondContact OD2-N 2.76Å; G396-F398 VanDerWaalsContact C-N 3.34Å; G396-F402 WeakPolarHBondContact O-CB 3.43Å
397	G	95.4	Very high	95.8	Very high	4 Å²	4	19.6 Å²	19.6	4%	0.041	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-13.5	170.7	0	0	0	0	0	114.3	T384 H387 A395	T384-G397 PolarHBondContact OG1-O 3.46Å; H387-G397 PolarHBondContact CE1-N 2.93Å; H387-G397 VanDerWaalsContact CG-CA 3.44Å; H387-G397 PolarHBondContact ND1-N 3.19Å; A395-G397 PolarHBondContact O-N 2.75Å
398	F	96.9	Very high	95.9	Very high	41 Å²	41	19.5 Å²	19.5	18%	0.18	9%	0.088	C	C	.	.	S	Bend	trans	-128	157.4	-167.7	-46.6	-80.4	0	0	0	111.5	Y255 V256 A395 G396 H400 G401 F402	Y255-F398 HydrophobicContact CD2-CE2 4.34Å; Y255-F398 AromaticContact CE2-CE2 3.82Å; Y255-F398 HydrophobicContact CE2-CE2 3.82Å; Y255-F398 HydrophobicContact CE2-CZ 4.1Å; V256-F398 HydrophobicContact CB-CD1 4.19Å; V256-F398 HydrophobicContact CB-CD2 3.93Å; V256-F398 HydrophobicContact CB-CE1 3.9Å; V256-F398 HydrophobicContact CB-CE2 3.65Å; V256-F398 HydrophobicContact CB-CG 4.23Å; V256-F398 HydrophobicContact CB-CZ 3.66Å; V256-F398 HydrophobicContact CG1-CD1 3.85Å; V256-F398 HydrophobicContact CG1-CD2 4.43Å; V256-F398 HydrophobicContact CG1-CE1 3.74Å; V256-F398 HydrophobicContact CG1-CE2 4.37Å; V256-F398 HydrophobicContact CG1-CG 4.22Å; V256-F398 HydrophobicContact CG1-CZ 4.06Å; V256-F398 HydrophobicContact CG2-CD2 4.49Å; A395-F398 PolarHBondContact O-N 2.62Å; G396-F398 VanDerWaalsContact C-N 3.34Å; F398-H400 VanDerWaalsContact C-N 3.31Å; F398-H400 WeakPolarHBondContact CB-CE1 3.36Å; F398-H400 PolarHBondContact O-N 2.83Å; F398-G401 PolarHBondContact O-N 2.8Å; F398-F402 WeakPolarHBondContact O-CD1 3.48Å; F398-F402 WeakPolarHBondContact O-CG 3.41Å; F398-F402 PolarHBondContact O-N 3.35Å
399	I	98.4	Very high	96.3	Very high	16 Å²	16	18.6 Å²	18.6	8%	0.082	8%	0.082	C	C	.	.	H	α-helix	trans	-54.5	-44.9	-172	-65.7	167	0	0	0	112.3	P40 L102 M125 G401 F402 R403	P40-I399 HydrophobicContact CB-CD1 4.09Å; P40-I399 HydrophobicContact CB-CG1 3.93Å; P40-I399 HydrophobicContact CG-CD1 3.91Å; P40-I399 HydrophobicContact CG-CG1 4.14Å; L102-I399 HydrophobicContact CD2-CG2 3.92Å; M125-I399 HydrophobicContact CE-CD1 3.88Å; M125-I399 HydrophobicContact SD-CD1 4.17Å; I399-G401 PolarHBondContact O-N 2.78Å; I399-F402 VanDerWaalsContact CA-CZ 3.48Å; I399-F402 HydrophobicContact CB-CE2 4.31Å; I399-F402 HydrophobicContact CB-CZ 4.01Å; I399-F402 HydrophobicContact CG1-CE1 4.11Å; I399-F402 HydrophobicContact CG1-CE2 4.05Å; I399-F402 HydrophobicContact CG1-CZ 3.43Å; I399-F402 VanDerWaalsContact CG1-CZ 3.43Å; I399-R403 VanDerWaalsContact O-CB 3.32Å; I399-R403 WeakPolarHBondContact O-CB 3.34Å; I399-R403 VanDerWaalsContact O-CG 3.26Å; I399-R403 WeakPolarHBondContact O-CG 3.38Å; I399-R403 PolarHBondContact O-N 3.49Å; I399-R403 VanDerWaalsContact O-N 3.09Å
400	H	97.6	Very high	96.5	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.019	8%	0.079	C	C	.	.	H	α-helix	trans	-64.5	-20.6	178.6	49.3	-83.6	0	0	0	115	W99 F398 Y404 Q448	W99-H400 HydrophobicContact CB-CB 4.34Å; W99-H400 VanDerWaalsContact CB-ND1 3.33Å; W99-H400 WeakPolarHBondContact CB-ND1 3.3Å; W99-H400 AromaticContact CD1-CG 3.91Å; W99-H400 AromaticContact CD1-ND1 3.96Å; W99-H400 AromaticContact CD2-CE1 3.47Å; W99-H400 VanDerWaalsContact CD2-CE1 3.47Å; W99-H400 AromaticContact CD2-ND1 3.58Å; W99-H400 AromaticContact CD2-NE2 3.99Å; W99-H400 AromaticContact CE3-CE1 3.41Å; W99-H400 VanDerWaalsContact CE3-CE1 3.41Å; W99-H400 AromaticContact CE3-ND1 3.9Å; W99-H400 HydrophobicContact CG-CB 4.27Å; W99-H400 AromaticContact CG-CE1 3.77Å; W99-H400 AromaticContact CG-CG 3.77Å; W99-H400 AromaticContact CG-ND1 3.34Å; W99-H400 VanDerWaalsContact CG-ND1 3.34Å; F398-H400 VanDerWaalsContact C-N 3.31Å; F398-H400 WeakPolarHBondContact CB-CE1 3.36Å; F398-H400 PolarHBondContact O-N 2.83Å; H400-Y404 WeakPolarHBondContact O-CD2 3.13Å; H400-Y404 WeakPolarHBondContact O-CE2 3.45Å; H400-Q448 HydrophobicContact CB-CG 4.26Å; H400-Q448 PolarHBondContact CD2-OE1 2.82Å; H400-Q448 WeakPolarHBondContact O-CB 3.26Å; H400-Q448 WeakPolarHBondContact O-CG 3.45Å
401	G	97.5	Very high	96.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-93	-58.2	171.8	0	0	0	0	0	111.5	A395 F398 I399 R403 Y404 M449	A395-G401 WeakPolarHBondContact O-CA 3.24Å; F398-G401 PolarHBondContact O-N 2.8Å; I399-G401 PolarHBondContact O-N 2.78Å; G401-R403 PolarHBondContact O-N 3.46Å; G401-R403 VanDerWaalsContact O-N 3.11Å; G401-Y404 PolarHBondContact O-N 3.49Å; G401-M449 WeakPolarHBondContact CA-SD 3.36Å
402	F	98.1	Very high	96.9	Very high	7 Å²	7	17.1 Å²	17.1	3%	0.031	7%	0.074	C	C	.	.	H	α-helix	trans	-68	-17.1	-170.7	65.1	-120.4	0	0	0	114.5	P40 A41 G396 F398 I399 Y404 T405 V406	P40-F402 HydrophobicContact CB-CE2 3.97Å; P40-F402 HydrophobicContact CB-CZ 3.95Å; A41-F402 HydrophobicContact CB-CD2 4.04Å; A41-F402 HydrophobicContact CB-CE2 3.89Å; G396-F402 WeakPolarHBondContact O-CB 3.43Å; F398-F402 WeakPolarHBondContact O-CD1 3.48Å; F398-F402 WeakPolarHBondContact O-CG 3.41Å; F398-F402 PolarHBondContact O-N 3.35Å; I399-F402 VanDerWaalsContact CA-CZ 3.48Å; I399-F402 HydrophobicContact CB-CE2 4.31Å; I399-F402 HydrophobicContact CB-CZ 4.01Å; I399-F402 HydrophobicContact CG1-CE1 4.11Å; I399-F402 HydrophobicContact CG1-CE2 4.05Å; I399-F402 HydrophobicContact CG1-CZ 3.43Å; I399-F402 VanDerWaalsContact CG1-CZ 3.43Å; F402-Y404 PolarHBondContact O-N 2.87Å; F402-T405 VanDerWaalsContact CA-OG1 3.26Å; F402-T405 WeakPolarHBondContact CA-OG1 3.38Å; F402-T405 PolarHBondContact O-N 2.89Å; F402-T405 PolarHBondContact O-OG1 3.03Å; F402-T405 VanDerWaalsContact O-OG1 3.09Å; F402-V406 VanDerWaalsContact O-CB 3.32Å; F402-V406 WeakPolarHBondContact O-CB 3.32Å; F402-V406 WeakPolarHBondContact O-CG2 3.19Å; F402-V406 PolarHBondContact O-N 3.14Å
403	R	98.4	Very high	97.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-59.2	-29.6	171.9	70.2	-172.4	-177.8	-152.3	-10.7	112.2	Q44 L95 D98 S101 L103 I399 G401 R407	Q44-R403 HydrophobicContact CG-CB 4.38Å; L95-R403 PolarHBondContact O-NH2 3.01Å; D98-R403 PolarHBondContact O-NH1 2.94Å; S101-R403 VanDerWaalsContact O-CD 3.24Å; S101-R403 WeakPolarHBondContact O-CD 3.22Å; S101-R403 PolarHBondContact O-NH1 2.72Å; L103-R403 HydrophobicContact CD1-CB 4.41Å; L103-R403 HydrophobicContact CD1-CG 4.23Å; L103-R403 HydrophobicContact CD2-CG 4.41Å; L103-R403 HydrophobicContact CG-CB 4.24Å; L103-R403 HydrophobicContact CG-CG 4.07Å; I399-R403 VanDerWaalsContact O-CB 3.32Å; I399-R403 WeakPolarHBondContact O-CB 3.34Å; I399-R403 VanDerWaalsContact O-CG 3.26Å; I399-R403 WeakPolarHBondContact O-CG 3.38Å; I399-R403 PolarHBondContact O-N 3.49Å; I399-R403 VanDerWaalsContact O-N 3.09Å; G401-R403 PolarHBondContact O-N 3.46Å; G401-R403 VanDerWaalsContact O-N 3.11Å; R403-R407 PolarHBondContact O-N 3.36Å
404	Y	98.5	Very high	97.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-84.9	-36.1	175.2	-55.7	-73.3	0	0	0	112.6	L103 H400 G401 F402 V406 R407 A408 S444 Q448 E471	L103-Y404 HydrophobicContact CD1-CD1 3.98Å; L103-Y404 HydrophobicContact CD1-CE1 3.91Å; L103-Y404 HydrophobicContact CD2-CE1 4.12Å; H400-Y404 WeakPolarHBondContact O-CD2 3.13Å; H400-Y404 WeakPolarHBondContact O-CE2 3.45Å; G401-Y404 PolarHBondContact O-N 3.49Å; F402-Y404 PolarHBondContact O-N 2.87Å; Y404-V406 VanDerWaalsContact C-N 3.32Å; Y404-V406 PolarHBondContact O-N 3.25Å; Y404-R407 WeakPolarHBondContact O-CB 3.42Å; Y404-R407 PolarHBondContact O-N 2.94Å; Y404-A408 PolarHBondContact O-N 3.05Å; Y404-S444 WeakPolarHBondContact OH-CB 3.4Å; Y404-S444 PolarHBondContact OH-OG 3.25Å; Y404-Q448 HydrophobicContact CD2-CB 4.48Å; Y404-Q448 HydrophobicContact CE2-CB 4.31Å; Y404-Q448 HydrophobicContact CE2-CG 4.35Å; Y404-E471 VanDerWaalsContact CD1-OE1 3.25Å; Y404-E471 WeakPolarHBondContact CD1-OE1 3.33Å
405	T	98.4	Very high	97.6	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-66.5	-37.1	174	68.6	0	0	0	0	111.3	Y371 F402 A408 V409 M449	Y371-T405 HydrophobicContact CE1-CG2 4.3Å; Y371-T405 HydrophobicContact CE2-CG2 4.48Å; Y371-T405 WeakPolarHBondContact OH-CG2 3.42Å; F402-T405 VanDerWaalsContact CA-OG1 3.26Å; F402-T405 WeakPolarHBondContact CA-OG1 3.38Å; F402-T405 PolarHBondContact O-N 2.89Å; F402-T405 PolarHBondContact O-OG1 3.03Å; F402-T405 VanDerWaalsContact O-OG1 3.09Å; T405-A408 WeakPolarHBondContact O-CB 3.48Å; T405-A408 PolarHBondContact O-N 3.37Å; T405-V409 WeakPolarHBondContact O-CG2 3.37Å; T405-V409 PolarHBondContact O-N 3.14Å; T405-M449 HydrophobicContact CG2-CE 3.46Å; T405-M449 VanDerWaalsContact CG2-CE 3.46Å; T405-M449 HydrophobicContact CG2-CG 4.3Å; T405-M449 HydrophobicContact CG2-SD 3.91Å
406	V	98.8	Very high	97.5	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.1	-43	170.7	170.3	0	0	0	0	111	A41 Q44 M45 F48 L382 F402 Y404 V409 H410	A41-V406 HydrophobicContact CB-CG2 4.2Å; Q44-V406 HydrophobicContact CB-CG1 4.02Å; Q44-V406 HydrophobicContact CG-CB 4.08Å; Q44-V406 HydrophobicContact CG-CG1 3.67Å; M45-V406 HydrophobicContact CB-CG1 3.79Å; M45-V406 HydrophobicContact CE-CG1 4.02Å; M45-V406 HydrophobicContact SD-CG1 4.39Å; F48-V406 HydrophobicContact CD2-CG1 4.14Å; F48-V406 HydrophobicContact CE2-CG1 4.2Å; L382-V406 HydrophobicContact CB-CG2 4.28Å; L382-V406 HydrophobicContact CD2-CG2 4.43Å; F402-V406 VanDerWaalsContact O-CB 3.32Å; F402-V406 WeakPolarHBondContact O-CB 3.32Å; F402-V406 WeakPolarHBondContact O-CG2 3.19Å; F402-V406 PolarHBondContact O-N 3.14Å; Y404-V406 VanDerWaalsContact C-N 3.32Å; Y404-V406 PolarHBondContact O-N 3.25Å; V406-V409 PolarHBondContact O-N 2.94Å; V406-H410 PolarHBondContact O-N 2.91Å
407	R	98.6	Very high	97.2	Very high	44 Å²	44	16 Å²	16	17%	0.166	7%	0.069	C	C	.	.	H	α-helix	trans	-61.3	-42.3	173.6	-178.6	159.3	69.8	-178.7	1.6	112	F48 R403 Y404 H410 R411 E471	F48-R407 HydrophobicContact CE1-CG 4.34Å; F48-R407 HydrophobicContact CE2-CB 3.64Å; F48-R407 HydrophobicContact CE2-CG 4.25Å; F48-R407 HydrophobicContact CZ-CB 3.67Å; F48-R407 HydrophobicContact CZ-CG 3.9Å; R403-R407 PolarHBondContact O-N 3.36Å; Y404-R407 WeakPolarHBondContact O-CB 3.42Å; Y404-R407 PolarHBondContact O-N 2.94Å; R407-H410 PolarHBondContact O-N 3.29Å; R407-R411 WeakPolarHBondContact O-CG 3.36Å; R407-R411 PolarHBondContact O-N 2.86Å; R407-E471 IonicContact CZ-OE1 3.34Å; R407-E471 IonicContact CZ-OE2 3.58Å; R407-E471 IonicContact NE-OE2 2.67Å; R407-E471 PolarHBondContact NE-OE2 3.02Å; R407-E471 IonicContact NH2-OE1 3.59Å; R407-E471 PolarHBondContact NH2-OE1 3.49Å; R407-E471 IonicContact NH2-OE2 3.92Å; R407-E471 PolarHBondContact NH2-OE2 3.3Å
408	A	98.3	Very high	97.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63	-45.5	176.2	0	0	0	0	0	111.5	Y404 T405 H410 R411 L412 W422 L453 P473	Y404-A408 PolarHBondContact O-N 3.05Å; T405-A408 WeakPolarHBondContact O-CB 3.48Å; T405-A408 PolarHBondContact O-N 3.37Å; A408-H410 VanDerWaalsContact C-N 3.35Å; A408-H410 PolarHBondContact O-N 3.44Å; A408-R411 PolarHBondContact O-N 3.44Å; A408-L412 WeakPolarHBondContact O-CG 3.25Å; A408-L412 PolarHBondContact O-N 2.92Å; A408-W422 HydrophobicContact CB-CH2 4.06Å; A408-L453 HydrophobicContact CB-CD2 4.41Å; A408-P473 HydrophobicContact CB-CG 4.15Å
409	V	98.5	Very high	97.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.9	-44.6	174.9	174.7	0	0	0	0	111.3	M45 Y371 F380 L382 T405 V406 R411 L412 L413	M45-V409 HydrophobicContact CE-CB 4.02Å; M45-V409 HydrophobicContact CE-CG1 3.76Å; Y371-V409 HydrophobicContact CD2-CG2 3.46Å; Y371-V409 VanDerWaalsContact CD2-CG2 3.46Å; Y371-V409 HydrophobicContact CE2-CG2 4.4Å; Y371-V409 HydrophobicContact CG-CG2 3.85Å; F380-V409 HydrophobicContact CB-CG1 4.37Å; F380-V409 HydrophobicContact CD1-CG1 3.74Å; F380-V409 HydrophobicContact CE1-CG1 4.28Å; F380-V409 HydrophobicContact CG-CG1 4.16Å; L382-V409 HydrophobicContact CD2-CB 4.14Å; L382-V409 HydrophobicContact CD2-CG1 3.98Å; L382-V409 HydrophobicContact CD2-CG2 4.07Å; T405-V409 WeakPolarHBondContact O-CG2 3.37Å; T405-V409 PolarHBondContact O-N 3.14Å; V406-V409 PolarHBondContact O-N 2.94Å; V409-R411 PolarHBondContact O-N 3.24Å; V409-L412 WeakPolarHBondContact O-CB 3.37Å; V409-L412 PolarHBondContact O-N 3.23Å; V409-L413 HydrophobicContact CG1-CD1 3.89Å; V409-L413 HydrophobicContact CG1-CG 4.39Å; V409-L413 WeakPolarHBondContact O-CG 3.41Å; V409-L413 PolarHBondContact O-N 2.98Å
410	H	98.7	Very high	97.1	Very high	20 Å²	20	23.6 Å²	23.6	9%	0.093	12%	0.12	C	C	.	.	H	α-helix	trans	-56.8	-49.7	174.8	169.6	-97.2	0	0	0	111.5	M45 F48 V406 R407 A408 L412 L413 E414	M45-H410 HydrophobicContact CE-CB 4.28Å; M45-H410 HydrophobicContact SD-CB 4.02Å; F48-H410 HydrophobicContact CB-CB 4.08Å; F48-H410 VanDerWaalsContact CB-CD2 3.45Å; F48-H410 WeakPolarHBondContact CB-CD2 3.47Å; F48-H410 HydrophobicContact CD2-CB 4.26Å; F48-H410 HydrophobicContact CG-CB 4.37Å; F48-H410 PolarHBondContact O-NE2 3.05Å; V406-H410 PolarHBondContact O-N 2.91Å; R407-H410 PolarHBondContact O-N 3.29Å; A408-H410 VanDerWaalsContact C-N 3.35Å; A408-H410 PolarHBondContact O-N 3.44Å; H410-L412 VanDerWaalsContact C-N 3.32Å; H410-L412 PolarHBondContact O-N 2.98Å; H410-L413 WeakPolarHBondContact O-CB 3.15Å; H410-L413 PolarHBondContact O-N 2.78Å; H410-E414 VanDerWaalsContact CE1-CG 3.46Å; H410-E414 WeakPolarHBondContact CE1-CG 3.44Å; H410-E414 IonicContact NE2-OE1 3Å; H410-E414 WeakPolarHBondContact O-CG 3.48Å; H410-E414 PolarHBondContact O-N 2.94Å
411	R	98.3	Very high	97.1	Very high	27 Å²	27	25.5 Å²	25.5	10%	0.102	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-37.1	178.1	-70.3	173.1	174.7	171.7	-3.3	112.7	R407 A408 V409 L413 H415 W422 P423 E470 E471	R407-R411 WeakPolarHBondContact O-CG 3.36Å; R407-R411 PolarHBondContact O-N 2.86Å; A408-R411 PolarHBondContact O-N 3.44Å; V409-R411 PolarHBondContact O-N 3.24Å; R411-L413 VanDerWaalsContact C-N 3.33Å; R411-H415 PolarHBondContact O-N 2.96Å; R411-W422 HydrophobicContact CB-CD2 3.92Å; R411-W422 HydrophobicContact CB-CE3 3.49Å; R411-W422 VanDerWaalsContact CB-CE3 3.49Å; R411-W422 HydrophobicContact CB-CH2 3.7Å; R411-W422 HydrophobicContact CB-CZ2 4.1Å; R411-W422 HydrophobicContact CB-CZ3 3.37Å; R411-W422 HydrophobicContact CG-CZ2 4.5Å; R411-P423 HydrophobicContact CG-CG 4.36Å; R411-E470 PolarHBondContact NH1-O 2.81Å; R411-E470 IonicContact NH2-OE2 2.78Å; R411-E471 IonicContact NH1-OE2 3.87Å
412	L	97.2	Very high	97.1	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-40.9	173	-70.4	175.5	0	0	0	111.7	A408 V409 H410 R416 W422 M476 L483	A408-L412 WeakPolarHBondContact O-CG 3.25Å; A408-L412 PolarHBondContact O-N 2.92Å; V409-L412 WeakPolarHBondContact O-CB 3.37Å; V409-L412 PolarHBondContact O-N 3.23Å; H410-L412 VanDerWaalsContact C-N 3.32Å; H410-L412 PolarHBondContact O-N 2.98Å; L412-R416 VanDerWaalsContact O-CB 3.27Å; L412-R416 WeakPolarHBondContact O-CB 3.14Å; L412-R416 PolarHBondContact O-N 2.93Å; L412-R416 VanDerWaalsContact O-N 3.08Å; L412-W422 HydrophobicContact CD2-CE3 4.5Å; L412-W422 HydrophobicContact CD2-CZ3 3.8Å; L412-W422 HydrophobicContact CG-CZ3 3.9Å; L412-M476 HydrophobicContact CD1-SD 4.17Å; L412-L483 HydrophobicContact CD2-CB 3.92Å; L412-L483 HydrophobicContact CD2-CD1 4.38Å; L412-L483 HydrophobicContact CD2-CD2 4.28Å; L412-L483 HydrophobicContact CD2-CG 4.43Å
413	L	97.3	Very high	97	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-70.4	-40.9	179.5	-70.6	167.5	0	0	0	111.8	Y33 V177 L179 F380 V409 H410 R411 H415 R416 H417	Y33-L413 HydrophobicContact CE1-CB 4.48Å; Y33-L413 HydrophobicContact CE1-CD1 4.08Å; Y33-L413 HydrophobicContact CE1-CD2 4.41Å; V177-L413 HydrophobicContact CG1-CD2 4.1Å; L179-L413 HydrophobicContact CD2-CD1 3.85Å; F380-L413 HydrophobicContact CD2-CD2 4.26Å; F380-L413 HydrophobicContact CE1-CD2 4.5Å; F380-L413 HydrophobicContact CE2-CD2 3.56Å; F380-L413 HydrophobicContact CZ-CD2 3.69Å; F380-L413 HydrophobicContact CZ-CG 4.45Å; V409-L413 HydrophobicContact CG1-CD1 3.89Å; V409-L413 HydrophobicContact CG1-CG 4.39Å; V409-L413 WeakPolarHBondContact O-CG 3.41Å; V409-L413 PolarHBondContact O-N 2.98Å; H410-L413 WeakPolarHBondContact O-CB 3.15Å; H410-L413 PolarHBondContact O-N 2.78Å; R411-L413 VanDerWaalsContact C-N 3.33Å; L413-H415 VanDerWaalsContact C-N 3.29Å; L413-H415 PolarHBondContact O-N 2.69Å; L413-R416 PolarHBondContact O-N 2.79Å; L413-H417 VanDerWaalsContact CD2-CD2 3.41Å; L413-H417 WeakPolarHBondContact CD2-CD2 3.13Å; L413-H417 WeakPolarHBondContact O-CB 3.18Å; L413-H417 PolarHBondContact O-CD2 3.45Å; L413-H417 PolarHBondContact O-N 3.14Å
414	E	97.8	Very high	97	Very high	16 Å²	16	29.8 Å²	29.8	8%	0.075	17%	0.167	C	C	.	.	H	α-helix	trans	-54.9	-44.6	175.6	-75.6	-65.1	101.1	0	0	111.7	R54 H410 H418 S419 V420	R54-E414 IonicContact CZ-OE1 3.92Å; R54-E414 IonicContact CZ-OE2 3.23Å; R54-E414 IonicContact NE-OE1 3.46Å; R54-E414 PolarHBondContact NE-OE1 3.34Å; R54-E414 IonicContact NE-OE2 3.61Å; R54-E414 IonicContact NH2-OE1 2.83Å; R54-E414 PolarHBondContact NH2-OE1 2.92Å; R54-E414 IonicContact NH2-OE2 3.82Å; R54-E414 PolarHBondContact NH2-OE2 2.65Å; H410-E414 VanDerWaalsContact CE1-CG 3.46Å; H410-E414 WeakPolarHBondContact CE1-CG 3.44Å; H410-E414 IonicContact NE2-OE1 3Å; H410-E414 WeakPolarHBondContact O-CG 3.48Å; H410-E414 PolarHBondContact O-N 2.94Å; E414-H418 CarbonylContact O-C 3.43Å; E414-H418 WeakPolarHBondContact O-CA 3.36Å; E414-H418 WeakPolarHBondContact O-CB 3.38Å; E414-H418 PolarHBondContact O-N 3.42Å; E414-H418 IonicContact OE1-CD2 3.75Å; E414-H418 PolarHBondContact OE1-CD2 2.91Å; E414-S419 PolarHBondContact O-N 3.01Å; E414-V420 CarbonylContact C-O 3.33Å; E414-V420 HydrophobicContact CB-CB 4.1Å; E414-V420 HydrophobicContact CB-CG1 4.44Å; E414-V420 PolarHBondContact O-N 2.75Å
415	H	95.9	Very high	96.9	Very high	44 Å²	44	33.4 Å²	33.4	20%	0.204	19%	0.19	C	C	.	.	H	α-helix	trans	-69.1	-48.2	175.5	-175.7	56.2	0	0	0	112.3	R411 L413 H417 S419 V420 T482 L483 G485	R411-H415 PolarHBondContact O-N 2.96Å; L413-H415 VanDerWaalsContact C-N 3.29Å; L413-H415 PolarHBondContact O-N 2.69Å; H415-H417 PolarHBondContact O-N 3.4Å; H415-S419 WeakPolarHBondContact O-CA 3.48Å; H415-S419 PolarHBondContact O-N 2.92Å; H415-V420 WeakPolarHBondContact CA-O 3.39Å; H415-V420 WeakPolarHBondContact CB-O 3.14Å; H415-V420 PolarHBondContact N-O 3.39Å; H415-V420 VanDerWaalsContact N-O 3.13Å; H415-T482 PolarHBondContact CD2-O 2.94Å; H415-T482 PolarHBondContact NE2-O 2.98Å; H415-L483 WeakPolarHBondContact CB-O 3.37Å; H415-L483 PolarHBondContact CD2-O 3.42Å; H415-G485 WeakPolarHBondContact CE1-CA 3.4Å; H415-G485 PolarHBondContact CE1-N 2.95Å; H415-G485 PolarHBondContact NE2-N 2.99Å
416	R	92.6	Very high	96.8	Very high	68 Å²	68	38.8 Å²	38.8	26%	0.257	22%	0.215	S	C	.	.	H	α-helix	trans	-69	-35.2	-173.1	-174.4	-177.4	-64.8	-172.7	-0	113.8	E372 L412 L413	E372-R416 VanDerWaalsContact CD-NH1 3.29Å; E372-R416 IonicContact OE1-NH1 3.76Å; E372-R416 PolarHBondContact OE1-NH1 3.16Å; E372-R416 IonicContact OE2-CZ 2.84Å; E372-R416 IonicContact OE2-NH1 2.73Å; E372-R416 PolarHBondContact OE2-NH1 3.32Å; E372-R416 IonicContact OE2-NH2 3.95Å; L412-R416 VanDerWaalsContact O-CB 3.27Å; L412-R416 WeakPolarHBondContact O-CB 3.14Å; L412-R416 PolarHBondContact O-N 2.93Å; L412-R416 VanDerWaalsContact O-N 3.08Å; L413-R416 PolarHBondContact O-N 2.79Å
417	H	91.1	Very high	96.7	Very high	40 Å²	40	40.7 Å²	40.7	19%	0.185	23%	0.225	C	C	.	.	H	α-helix	trans	-107.3	-27.6	-172	-67.2	-64.3	0	0	0	113.8	W158 L413 H415	W158-H417 AromaticContact CD2-CE1 3.4Å; W158-H417 AromaticContact CD2-ND1 3.84Å; W158-H417 AromaticContact CE2-CE1 3.1Å; W158-H417 AromaticContact CE2-ND1 3.66Å; W158-H417 AromaticContact CE3-CE1 3.56Å; W158-H417 AromaticContact CH2-CE1 3.23Å; W158-H417 WeakPolarHBondContact CH2-CE1 3.29Å; W158-H417 AromaticContact CH2-NE2 3.65Å; W158-H417 AromaticContact CZ2-CE1 3.06Å; W158-H417 WeakPolarHBondContact CZ2-CE1 3.5Å; W158-H417 AromaticContact CZ2-NE2 3.72Å; W158-H417 AromaticContact CZ3-CE1 3.46Å; W158-H417 VanDerWaalsContact CZ3-CE1 3.46Å; W158-H417 WeakPolarHBondContact CZ3-CE1 3.42Å; W158-H417 AromaticContact NE1-CE1 3.74Å; W158-H417 AromaticContact NE1-ND1 3.86Å; L413-H417 VanDerWaalsContact CD2-CD2 3.41Å; L413-H417 WeakPolarHBondContact CD2-CD2 3.13Å; L413-H417 WeakPolarHBondContact O-CB 3.18Å; L413-H417 PolarHBondContact O-CD2 3.45Å; L413-H417 PolarHBondContact O-N 3.14Å; H415-H417 PolarHBondContact O-N 3.4Å
418	H	94.4	Very high	96.4	Very high	49 Å²	49	40.4 Å²	40.4	23%	0.227	23%	0.229	C	C	.	.	H	α-helix	trans	-124.6	6	-171.8	-56.8	-62.3	0	0	0	112.7	Y33 R54 E414 V420	Y33-H418 AromaticContact CE2-NE2 3.48Å; Y33-H418 WeakPolarHBondContact CE2-NE2 3.22Å; Y33-H418 AromaticContact CZ-NE2 3.62Å; Y33-H418 PolarHBondContact OH-CD2 2.79Å; Y33-H418 PolarHBondContact OH-NE2 3.37Å; R54-H418 WeakPolarHBondContact CD-NE2 3.47Å; R54-H418 VanDerWaalsContact CZ-CD2 3.49Å; R54-H418 PolarHBondContact NE-CD2 3.46Å; R54-H418 VanDerWaalsContact NE-CD2 3.27Å; E414-H418 CarbonylContact O-C 3.43Å; E414-H418 WeakPolarHBondContact O-CA 3.36Å; E414-H418 WeakPolarHBondContact O-CB 3.38Å; E414-H418 PolarHBondContact O-N 3.42Å; E414-H418 IonicContact OE1-CD2 3.75Å; E414-H418 PolarHBondContact OE1-CD2 2.91Å; H418-V420 HydrophobicContact CB-CG2 4.14Å; H418-V420 PolarHBondContact O-N 2.97Å; H418-V420 VanDerWaalsContact O-N 3.08Å
419	S	95	Very high	96.2	Very high	109 Å²	109	40.5 Å²	40.5	76%	0.762	23%	0.229	S	C	*	.			trans	55.9	23.3	-179.5	-57.9	0	0	0	0	113.6	E414 H415	E414-S419 PolarHBondContact O-N 3.01Å; H415-S419 WeakPolarHBondContact O-CA 3.48Å; H415-S419 PolarHBondContact O-N 2.92Å
420	V	97.4	Very high	95.9	Very high	64 Å²	64	42.4 Å²	42.4	39%	0.388	24%	0.241	S	C	.	.			trans	-88.1	112.4	177.2	176.9	0	0	0	0	108.2	E414 H415 H418	E414-V420 CarbonylContact C-O 3.33Å; E414-V420 HydrophobicContact CB-CB 4.1Å; E414-V420 HydrophobicContact CB-CG1 4.44Å; E414-V420 PolarHBondContact O-N 2.75Å; H415-V420 WeakPolarHBondContact CA-O 3.39Å; H415-V420 WeakPolarHBondContact CB-O 3.14Å; H415-V420 PolarHBondContact N-O 3.39Å; H415-V420 VanDerWaalsContact N-O 3.13Å; H418-V420 HydrophobicContact CB-CG2 4.14Å; H418-V420 PolarHBondContact O-N 2.97Å; H418-V420 VanDerWaalsContact O-N 3.08Å
421	A	97.6	Very high	95.7	Very high	44 Å²	44	45.5 Å²	45.5	36%	0.364	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-58.9	154.2	-179.8	0	0	0	0	0	112.1	T484	A421-T484 WeakPolarHBondContact CA-O 3.47Å
422	W	97.8	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-55.6	132.7	174.7	-165.1	-86.1	0	0	0	109.9	A408 R411 L412 A424 L469 E470 E471 F472 T484 R486	A408-W422 HydrophobicContact CB-CH2 4.06Å; R411-W422 HydrophobicContact CB-CD2 3.92Å; R411-W422 HydrophobicContact CB-CE3 3.49Å; R411-W422 VanDerWaalsContact CB-CE3 3.49Å; R411-W422 HydrophobicContact CB-CH2 3.7Å; R411-W422 HydrophobicContact CB-CZ2 4.1Å; R411-W422 HydrophobicContact CB-CZ3 3.37Å; R411-W422 HydrophobicContact CG-CZ2 4.5Å; L412-W422 HydrophobicContact CD2-CE3 4.5Å; L412-W422 HydrophobicContact CD2-CZ3 3.8Å; L412-W422 HydrophobicContact CG-CZ3 3.9Å; W422-A424 PolarHBondContact O-N 3.43Å; W422-L469 HydrophobicContact CB-CD2 4.4Å; W422-L469 HydrophobicContact CG-CD2 4.34Å; W422-E470 PolarHBondContact NE1-O 2.88Å; W422-E471 WeakPolarHBondContact CZ2-O 3.48Å; W422-F472 HydrophobicContact CH2-CD2 4.31Å; W422-F472 HydrophobicContact CZ2-CB 4.5Å; W422-F472 HydrophobicContact CZ2-CD2 4.36Å; W422-F472 HydrophobicContact CZ3-CD2 4.42Å; W422-T484 HydrophobicContact CB-CG2 3.78Å; W422-T484 HydrophobicContact CD2-CG2 4.16Å; W422-T484 HydrophobicContact CE3-CG2 4.21Å; W422-T484 HydrophobicContact CG-CG2 4.01Å; W422-T484 PolarHBondContact N-O 3Å; W422-R486 PolarHBondContact O-NE 3.38Å; W422-R486 PolarHBondContact O-NH2 2.94Å
423	P	97.2	Very high	95.6	Very high	69 Å²	69	45 Å²	45	45%	0.448	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-55.6	128.8	179.1	-26.4	35	0	0	0	111.2	R411	R411-P423 HydrophobicContact CG-CG 4.36Å
424	A	97	Very high	95.5	Very high	27 Å²	27	48.2 Å²	48.2	22%	0.223	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	152.5	173.6	0	0	0	0	0	110.9	W422 E467 Y468 L469 R486	W422-A424 PolarHBondContact O-N 3.43Å; A424-E467 HydrophobicContact CB-CB 4.29Å; A424-Y468 WeakPolarHBondContact CA-O 3.27Å; A424-Y468 WeakPolarHBondContact CB-O 3.43Å; A424-L469 HydrophobicContact CB-CD1 3.73Å; A424-L469 HydrophobicContact CB-CG 3.87Å; A424-R486 VanDerWaalsContact CB-NH2 3.31Å
425	T	97	Very high	95.5	Very high	76 Å²	76	48.1 Å²	48.1	47%	0.466	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.5	174.5	-51.5	0	0	0	0	108.4	L427 E467 Y468	T425-L427 HydrophobicContact CG2-CD1 4.35Å; T425-L427 HydrophobicContact CG2-CD2 4.06Å; T425-L427 HydrophobicContact CG2-CG 3.99Å; T425-E467 WeakPolarHBondContact O-CA 3.13Å; T425-Y468 PolarHBondContact N-O 3.16Å; T425-Y468 VanDerWaalsContact N-O 3.1Å; T425-Y468 PolarHBondContact O-N 2.91Å
426	E	96.8	Very high	95.6	Very high	114 Å²	114	46 Å²	46	53%	0.533	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.5	173.7	-172.1	169.5	145.4	0	0	109.9	K460 F466 E467	E426-K460 WeakPolarHBondContact OE2-CE 3.46Å; E426-K460 IonicContact OE2-NZ 2.75Å; E426-F466 VanDerWaalsContact CA-O 3.32Å; E426-F466 WeakPolarHBondContact CA-O 3.3Å; E426-E467 HydrophobicContact CB-CG 4.27Å; E426-E467 HydrophobicContact CG-CG 4.46Å
427	L	95.6	Very high	95.9	Very high	40 Å²	40	43.6 Å²	43.6	21%	0.209	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	153.7	-177	-65.3	174.8	0	0	0	110.6	T425 S435 A465 F466	T425-L427 HydrophobicContact CG2-CD1 4.35Å; T425-L427 HydrophobicContact CG2-CD2 4.06Å; T425-L427 HydrophobicContact CG2-CG 3.99Å; L427-S435 WeakPolarHBondContact CD1-OG 3.4Å; L427-A465 CarbonylContact O-C 3.59Å; L427-A465 VanDerWaalsContact O-CA 3.3Å; L427-A465 WeakPolarHBondContact O-CA 3.17Å; L427-A465 WeakPolarHBondContact O-CB 3.19Å; L427-F466 HydrophobicContact CB-CE1 3.89Å; L427-F466 HydrophobicContact CB-CE2 4.01Å; L427-F466 HydrophobicContact CB-CZ 3.59Å; L427-F466 HydrophobicContact CD1-CE2 4.16Å; L427-F466 HydrophobicContact CD1-CZ 3.94Å; L427-F466 HydrophobicContact CG-CZ 4.36Å; L427-F466 PolarHBondContact N-O 3.37Å; L427-F466 PolarHBondContact O-N 3.12Å
428	P	93.8	Very high	96.2	Very high	39 Å²	39	48.5 Å²	48.5	25%	0.253	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	148.9	174	29.3	-34.9	0	0	0	110.8	T430 Q431 F466	P428-T430 PolarHBondContact O-N 2.99Å; P428-Q431 HydrophobicContact CG-CB 4.48Å; P428-Q431 HydrophobicContact CG-CG 3.98Å; P428-Q431 PolarHBondContact O-N 2.83Å; P428-F466 VanDerWaalsContact O-CE1 3.27Å; P428-F466 WeakPolarHBondContact O-CE1 3.27Å
429	I	93.7	Very high	96.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-58.6	-26.5	-177.5	-159.9	71	0	0	0	113.4	Q431 L432 L459 A463 M464 F466 L589 L593 P613	I429-Q431 PolarHBondContact O-N 2.83Å; I429-Q431 VanDerWaalsContact O-N 3.16Å; I429-L432 HydrophobicContact CD1-CB 4.36Å; I429-L432 HydrophobicContact CD1-CD2 3.89Å; I429-L432 WeakPolarHBondContact O-CB 3.44Å; I429-L432 PolarHBondContact O-N 3.48Å; I429-L459 HydrophobicContact CD1-CD2 3.91Å; I429-A463 WeakPolarHBondContact CB-O 3.38Å; I429-A463 WeakPolarHBondContact CD1-O 3.16Å; I429-A463 WeakPolarHBondContact CG1-O 3.35Å; I429-A463 WeakPolarHBondContact CG2-O 3.48Å; I429-M464 PolarHBondContact N-O 3.02Å; I429-F466 HydrophobicContact CD1-CD1 4.14Å; I429-L589 HydrophobicContact CD1-CD1 3.8Å; I429-L589 HydrophobicContact CG1-CD1 3.88Å; I429-L593 HydrophobicContact CG1-CD2 4.12Å; I429-P613 HydrophobicContact CG2-CB 3.59Å; I429-P613 HydrophobicContact CG2-CG 3.98Å
430	T	91.6	Very high	96.4	Very high	41 Å²	41	41.2 Å²	41.2	25%	0.252	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60	-21.8	174.8	49.5	0	0	0	0	113.3	P428 P613 F614 Q617	P428-T430 PolarHBondContact O-N 2.99Å; T430-P613 HydrophobicContact CG2-CB 4.16Å; T430-F614 HydrophobicContact CG2-CB 4.04Å; T430-F614 HydrophobicContact CG2-CD2 4.28Å; T430-Q617 PolarHBondContact OG1-OE1 3.2Å
431	Q	94.1	Very high	96.4	Very high	84 Å²	84	39 Å²	39	39%	0.393	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-97.2	7.2	176.5	-65.9	-177.1	22.2	0	0	113.5	P428 I429 S434 S435	P428-Q431 HydrophobicContact CG-CB 4.48Å; P428-Q431 HydrophobicContact CG-CG 3.98Å; P428-Q431 PolarHBondContact O-N 2.83Å; I429-Q431 PolarHBondContact O-N 2.83Å; I429-Q431 VanDerWaalsContact O-N 3.16Å; Q431-S434 PolarHBondContact O-OG 3.17Å; Q431-S435 VanDerWaalsContact O-CB 3.24Å; Q431-S435 WeakPolarHBondContact O-CB 3.28Å; Q431-S435 PolarHBondContact O-N 2.95Å; Q431-S435 PolarHBondContact O-OG 2.79Å
432	L	96.5	Very high	96.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-54.8	-175	179.9	60.5	0	0	0	111.6	I429 S434 S435 I436 I457 F466 F493 L585 L589	I429-L432 HydrophobicContact CD1-CB 4.36Å; I429-L432 HydrophobicContact CD1-CD2 3.89Å; I429-L432 WeakPolarHBondContact O-CB 3.44Å; I429-L432 PolarHBondContact O-N 3.48Å; L432-S434 PolarHBondContact O-N 3.01Å; L432-S435 PolarHBondContact O-N 2.03Å; L432-I436 HydrophobicContact CD1-CD1 4.11Å; L432-I436 HydrophobicContact CD1-CG1 4.38Å; L432-I436 HydrophobicContact CG-CD1 4.31Å; L432-I436 WeakPolarHBondContact O-CG1 3.14Å; L432-I436 PolarHBondContact O-N 2.83Å; L432-I457 HydrophobicContact CD1-CD1 3.6Å; L432-I457 HydrophobicContact CD1-CG2 3.92Å; L432-F466 HydrophobicContact CB-CD1 4.24Å; L432-F466 HydrophobicContact CB-CE1 3.82Å; L432-F466 HydrophobicContact CB-CZ 4.44Å; L432-F466 HydrophobicContact CD1-CD1 4.04Å; L432-F466 HydrophobicContact CD1-CD2 4.41Å; L432-F466 HydrophobicContact CD1-CE1 4Å; L432-F466 HydrophobicContact CD1-CE2 4.37Å; L432-F466 HydrophobicContact CD1-CG 4.23Å; L432-F466 HydrophobicContact CD1-CZ 4.16Å; L432-F493 HydrophobicContact CD2-CE2 4.2Å; L432-L585 HydrophobicContact CD2-CD1 4.27Å; L432-L585 HydrophobicContact CD2-CD2 4.03Å; L432-L585 HydrophobicContact CG-CD1 4.16Å; L432-L585 HydrophobicContact CG-CD2 4.48Å; L432-L589 HydrophobicContact CD2-CD1 3.78Å
433	T	97.1	Very high	96.2	Very high	20 Å²	20	39.5 Å²	39.5	12%	0.123	21%	0.214	C	C	.	.	H	α-helix	trans	-58.6	-48.7	-178.9	-51.3	0	0	0	0	111.5	S435 I436 V437 I578 L581 R582 L585	T433-S435 VanDerWaalsContact C-N 3.3Å; T433-S435 PolarHBondContact O-N 2.82Å; T433-I436 PolarHBondContact O-N 2.91Å; T433-V437 HydrophobicContact CG2-CG2 4.45Å; T433-V437 VanDerWaalsContact O-CG2 3.29Å; T433-V437 WeakPolarHBondContact O-CG2 3.44Å; T433-V437 PolarHBondContact O-N 3.04Å; T433-I578 HydrophobicContact CG2-CG2 4.27Å; T433-L581 HydrophobicContact CG2-CD2 4.15Å; T433-L581 HydrophobicContact CG2-CG 4.4Å; T433-R582 HydrophobicContact CG2-CB 4.4Å; T433-L585 HydrophobicContact CG2-CD1 4.48Å; T433-L585 WeakPolarHBondContact OG1-CD1 3.4Å
434	S	96.1	Very high	96.2	Very high	68 Å²	68	36.2 Å²	36.2	48%	0.476	19%	0.193	S	C	.	.	H	α-helix	trans	-64.5	-34.1	179.9	56.5	0	0	0	0	112.6	Q431 L432 R438	Q431-S434 PolarHBondContact O-OG 3.17Å; L432-S434 PolarHBondContact O-N 3.01Å; S434-R438 VanDerWaalsContact O-CB 3.25Å; S434-R438 WeakPolarHBondContact O-CB 3.24Å; S434-R438 PolarHBondContact O-N 3.22Å
435	S	97.7	Very high	96.2	Very high	13 Å²	13	35 Å²	35	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-68.8	-42.5	177.5	-60.1	0	0	0	0	111.8	L427 Q431 L432 T433 R439	L427-S435 WeakPolarHBondContact CD1-OG 3.4Å; Q431-S435 VanDerWaalsContact O-CB 3.24Å; Q431-S435 WeakPolarHBondContact O-CB 3.28Å; Q431-S435 PolarHBondContact O-N 2.95Å; Q431-S435 PolarHBondContact O-OG 2.79Å; L432-S435 PolarHBondContact O-N 2.03Å; T433-S435 VanDerWaalsContact C-N 3.3Å; T433-S435 PolarHBondContact O-N 2.82Å; S435-R439 WeakPolarHBondContact O-CB 3.08Å; S435-R439 WeakPolarHBondContact O-CG 3.47Å; S435-R439 PolarHBondContact O-N 3.19Å
436	I	98.3	Very high	96.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-53.1	174.2	-64.7	-178.1	0	0	0	109.9	L432 T433 R438 R439 V440 I457 I495 L581 L585	L432-I436 HydrophobicContact CD1-CD1 4.11Å; L432-I436 HydrophobicContact CD1-CG1 4.38Å; L432-I436 HydrophobicContact CG-CD1 4.31Å; L432-I436 WeakPolarHBondContact O-CG1 3.14Å; L432-I436 PolarHBondContact O-N 2.83Å; T433-I436 PolarHBondContact O-N 2.91Å; I436-R438 VanDerWaalsContact C-N 3.33Å; I436-R438 PolarHBondContact O-N 3.4Å; I436-R439 PolarHBondContact O-N 2.95Å; I436-R439 VanDerWaalsContact O-N 3.14Å; I436-V440 HydrophobicContact CG2-CG1 4.26Å; I436-V440 WeakPolarHBondContact O-CG1 3.48Å; I436-V440 WeakPolarHBondContact O-CG2 3.28Å; I436-V440 PolarHBondContact O-N 2.83Å; I436-I457 HydrophobicContact CD1-CD1 3.79Å; I436-I457 HydrophobicContact CG1-CD1 3.63Å; I436-I495 HydrophobicContact CB-CD1 4.4Å; I436-I495 HydrophobicContact CD1-CD1 4.21Å; I436-I495 HydrophobicContact CG1-CD1 3.81Å; I436-I495 HydrophobicContact CG2-CD1 4.09Å; I436-L581 HydrophobicContact CB-CD2 4.33Å; I436-L581 HydrophobicContact CG2-CD1 4.43Å; I436-L581 HydrophobicContact CG2-CD2 3.92Å; I436-L585 HydrophobicContact CD1-CD1 4.15Å; I436-L585 HydrophobicContact CD1-CD2 4.01Å
437	V	97.8	Very high	96.1	Very high	18 Å²	18	28 Å²	28	11%	0.109	14%	0.143	C	C	.	.	H	α-helix	trans	-57	-46.3	-179.5	172.6	0	0	0	0	110.7	T433 R439 V440 N441 T572 I578 L581	T433-V437 HydrophobicContact CG2-CG2 4.45Å; T433-V437 VanDerWaalsContact O-CG2 3.29Å; T433-V437 WeakPolarHBondContact O-CG2 3.44Å; T433-V437 PolarHBondContact O-N 3.04Å; V437-R439 PolarHBondContact O-N 3.37Å; V437-V440 WeakPolarHBondContact O-CG2 3.45Å; V437-N441 WeakPolarHBondContact O-CB 3.35Å; V437-N441 PolarHBondContact O-N 3.11Å; V437-N441 PolarHBondContact O-ND2 3.24Å; V437-T572 HydrophobicContact CG1-CG2 4.04Å; V437-I578 HydrophobicContact CG2-CG1 4.27Å; V437-L581 HydrophobicContact CG2-CD2 3.71Å
438	R	97.1	Very high	96.2	Very high	142 Å²	142	26.8 Å²	26.8	54%	0.536	14%	0.136	S	C	.	.	H	α-helix	trans	-57.9	-50.4	176.5	-174.4	-176.5	115.3	-159	-4.4	111.3	S434 I436 N441 E442	S434-R438 VanDerWaalsContact O-CB 3.25Å; S434-R438 WeakPolarHBondContact O-CB 3.24Å; S434-R438 PolarHBondContact O-N 3.22Å; I436-R438 VanDerWaalsContact C-N 3.33Å; I436-R438 PolarHBondContact O-N 3.4Å; R438-N441 PolarHBondContact O-N 2.81Å; R438-E442 HydrophobicContact CG-CG 4.37Å; R438-E442 VanDerWaalsContact CG-OE2 3.25Å; R438-E442 WeakPolarHBondContact CG-OE2 3.43Å; R438-E442 IonicContact NE-OE2 3.9Å; R438-E442 PolarHBondContact NE-OE2 2.92Å; R438-E442 WeakPolarHBondContact O-CB 3.18Å; R438-E442 WeakPolarHBondContact O-CG 3.4Å; R438-E442 PolarHBondContact O-N 3.49Å
439	R	97.1	Very high	96.3	Very high	5 Å²	5	25 Å²	25	2%	0.019	12%	0.124	C	C	.	.	H	α-helix	trans	-66.7	-44	-175.3	-75.6	-69.2	-55.2	154.1	-3.4	112.8	E92 S435 I436 V437 N441 E442 A443 D455 Y468 E470	E92-R439 VanDerWaalsContact CD-NH1 3.35Å; E92-R439 IonicContact OE1-CZ 3.91Å; E92-R439 IonicContact OE1-NH1 3.8Å; E92-R439 PolarHBondContact OE1-NH1 2.9Å; E92-R439 IonicContact OE1-NH2 3.91Å; E92-R439 IonicContact OE2-NH1 3.9Å; E92-R439 PolarHBondContact OE2-NH1 3.11Å; S435-R439 WeakPolarHBondContact O-CB 3.08Å; S435-R439 WeakPolarHBondContact O-CG 3.47Å; S435-R439 PolarHBondContact O-N 3.19Å; I436-R439 PolarHBondContact O-N 2.95Å; I436-R439 VanDerWaalsContact O-N 3.14Å; V437-R439 PolarHBondContact O-N 3.37Å; R439-N441 PolarHBondContact O-N 3.12Å; R439-E442 PolarHBondContact O-N 2.97Å; R439-A443 VanDerWaalsContact CZ-CB 3.49Å; R439-A443 WeakPolarHBondContact O-CB 3.47Å; R439-A443 PolarHBondContact O-N 3.23Å; R439-D455 IonicContact CZ-OD2 3.25Å; R439-D455 IonicContact NE-OD2 3.71Å; R439-D455 PolarHBondContact NE-OD2 2.88Å; R439-D455 IonicContact NH2-OD1 3.25Å; R439-D455 IonicContact NH2-OD2 3.73Å; R439-D455 PolarHBondContact NH2-OD2 3.28Å; R439-Y468 WeakPolarHBondContact CB-OH 3.41Å; R439-Y468 HydrophobicContact CG-CE1 3.85Å; R439-Y468 HydrophobicContact CG-CE2 4.18Å; R439-Y468 WeakPolarHBondContact CG-OH 3.41Å; R439-E470 IonicContact CZ-OE1 3.9Å; R439-E470 IonicContact NE-OE1 3.21Å
440	V	97.2	Very high	96.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-64.4	-29	177.5	-58.7	0	0	0	0	112.1	R96 I436 V437 I495 P531 W571	R96-V440 PolarHBondContact NH2-O 2.86Å; I436-V440 HydrophobicContact CG2-CG1 4.26Å; I436-V440 WeakPolarHBondContact O-CG1 3.48Å; I436-V440 WeakPolarHBondContact O-CG2 3.28Å; I436-V440 PolarHBondContact O-N 2.83Å; V437-V440 WeakPolarHBondContact O-CG2 3.45Å; V440-I495 HydrophobicContact CG1-CG2 3.81Å; V440-P531 HydrophobicContact CB-CB 4.19Å; V440-P531 HydrophobicContact CB-CG 3.82Å; V440-P531 HydrophobicContact CG1-CB 3.81Å; V440-P531 HydrophobicContact CG1-CG 4.03Å; V440-P531 HydrophobicContact CG2-CG 4.2Å; V440-W571 HydrophobicContact CB-CE3 4.42Å; V440-W571 HydrophobicContact CG2-CB 4.18Å; V440-W571 HydrophobicContact CG2-CE3 4.29Å; V440-W571 VanDerWaalsContact O-CZ3 3.27Å; V440-W571 WeakPolarHBondContact O-CZ3 3.33Å
441	N	97.1	Very high	96.6	Very high	18 Å²	18	24.8 Å²	24.8	10%	0.096	12%	0.122	C	C	.	.	H	α-helix	trans	-80.5	-31.1	176.9	-80.2	-73.5	0	0	0	113.8	F93 R96 V437 R438 R439 T569 D570 W571	F93-N441 VanDerWaalsContact CD2-O 3.28Å; F93-N441 WeakPolarHBondContact CD2-O 3.31Å; R96-N441 VanDerWaalsContact CZ-O 3.28Å; R96-N441 PolarHBondContact NH1-O 3.25Å; R96-N441 VanDerWaalsContact NH2-C 3.27Å; R96-N441 PolarHBondContact NH2-O 2.86Å; R96-N441 VanDerWaalsContact NH2-O 3.17Å; V437-N441 WeakPolarHBondContact O-CB 3.35Å; V437-N441 PolarHBondContact O-N 3.11Å; V437-N441 PolarHBondContact O-ND2 3.24Å; R438-N441 PolarHBondContact O-N 2.81Å; R439-N441 PolarHBondContact O-N 3.12Å; N441-T569 PolarHBondContact OD1-O 3.18Å; N441-D570 WeakPolarHBondContact OD1-CA 3.43Å; N441-W571 PolarHBondContact OD1-N 3.03Å
442	E	96	Very high	96.7	Very high	53 Å²	53	21 Å²	21	25%	0.248	10%	0.104	C	C	.	.	H	α-helix	trans	-105.1	-31.3	-172.7	-63.1	179.5	156.7	0	0	114	N90 E92 F93 R438 R439 S444	N90-E442 WeakPolarHBondContact ND2-CG 3.34Å; N90-E442 PolarHBondContact ND2-OE1 3.45Å; N90-E442 PolarHBondContact ND2-OE2 3.37Å; E92-E442 CarbonylContact C-O 3.5Å; F93-E442 WeakPolarHBondContact CA-O 3.35Å; F93-E442 PolarHBondContact N-O 3.48Å; R438-E442 HydrophobicContact CG-CG 4.37Å; R438-E442 VanDerWaalsContact CG-OE2 3.25Å; R438-E442 WeakPolarHBondContact CG-OE2 3.43Å; R438-E442 IonicContact NE-OE2 3.9Å; R438-E442 PolarHBondContact NE-OE2 2.92Å; R438-E442 WeakPolarHBondContact O-CB 3.18Å; R438-E442 WeakPolarHBondContact O-CG 3.4Å; R438-E442 PolarHBondContact O-N 3.49Å; R439-E442 PolarHBondContact O-N 2.97Å; E442-S444 PolarHBondContact O-N 3.47Å
443	A	96.3	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.			trans	-62.7	127.2	-166.7	0	0	0	0	0	112.2	E92 R96 R439 L446 Y447	E92-A443 WeakPolarHBondContact OE1-CA 3.37Å; R96-A443 PolarHBondContact NE-O 3.11Å; R96-A443 PolarHBondContact NH2-O 2.96Å; R439-A443 VanDerWaalsContact CZ-CB 3.49Å; R439-A443 WeakPolarHBondContact O-CB 3.47Å; R439-A443 PolarHBondContact O-N 3.23Å; A443-L446 HydrophobicContact CB-CB 3.96Å; A443-L446 HydrophobicContact CB-CD1 4.02Å; A443-L446 HydrophobicContact CB-CG 4.06Å; A443-Y447 WeakPolarHBondContact O-CB 3.49Å
444	S	96.9	Very high	96.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-93.2	-31.1	174.5	44.1	0	0	0	0	112.8	E92 Y404 E442 Y447 Q448	E92-S444 VanDerWaalsContact CG-OG 3.27Å; E92-S444 WeakPolarHBondContact CG-OG 3.47Å; E92-S444 WeakPolarHBondContact O-CB 3.31Å; E92-S444 PolarHBondContact O-OG 3.32Å; E92-S444 PolarHBondContact OE1-N 3.03Å; Y404-S444 WeakPolarHBondContact OH-CB 3.4Å; Y404-S444 PolarHBondContact OH-OG 3.25Å; E442-S444 PolarHBondContact O-N 3.47Å; S444-Y447 PolarHBondContact O-N 2.85Å; S444-Q448 WeakPolarHBondContact O-CB 3.46Å; S444-Q448 VanDerWaalsContact O-CG 3.27Å; S444-Q448 WeakPolarHBondContact O-CG 2.95Å; S444-Q448 PolarHBondContact O-N 2.98Å
445	G	96.9	Very high	96.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.9	-47.1	176.6	0	0	0	0	0	113	Y447 Q448 M449 E471	G445-Y447 VanDerWaalsContact C-N 3.31Å; G445-Y447 PolarHBondContact O-N 2.9Å; G445-Q448 PolarHBondContact O-N 2.94Å; G445-M449 WeakPolarHBondContact O-CB 3.47Å; G445-M449 PolarHBondContact O-N 3.02Å; G445-E471 VanDerWaalsContact CA-OE1 3.3Å; G445-E471 WeakPolarHBondContact CA-OE1 3.46Å
446	L	95.6	Very high	96.9	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-58	-43.9	173.7	-73.5	-172.5	0	0	0	112.5	A443 F450 D455 M497	A443-L446 HydrophobicContact CB-CB 3.96Å; A443-L446 HydrophobicContact CB-CD1 4.02Å; A443-L446 HydrophobicContact CB-CG 4.06Å; L446-F450 PolarHBondContact O-N 2.83Å; L446-D455 HydrophobicContact CD1-CB 4.11Å; L446-D455 WeakPolarHBondContact CD1-OD2 3.38Å; L446-D455 HydrophobicContact CD2-CB 4.39Å; L446-M497 HydrophobicContact CB-CG 4.17Å
447	Y	96.7	Very high	96.9	Very high	43 Å²	43	16.3 Å²	16.3	17%	0.169	7%	0.072	C	C	.	.	H	α-helix	trans	-65.9	-44.3	-177.8	-169.9	-80.4	0	0	0	111.8	R96 A443 S444 G445 M497 L529 T569	R96-Y447 HydrophobicContact CB-CD1 4.15Å; R96-Y447 HydrophobicContact CB-CE1 4.46Å; R96-Y447 HydrophobicContact CB-CG 4.47Å; R96-Y447 HydrophobicContact CG-CD1 4.05Å; R96-Y447 HydrophobicContact CG-CD2 4.4Å; R96-Y447 HydrophobicContact CG-CG 3.88Å; A443-Y447 WeakPolarHBondContact O-CB 3.49Å; S444-Y447 PolarHBondContact O-N 2.85Å; G445-Y447 VanDerWaalsContact C-N 3.31Å; G445-Y447 PolarHBondContact O-N 2.9Å; Y447-M497 HydrophobicContact CD2-CE 4.13Å; Y447-L529 HydrophobicContact CD1-CD2 4.25Å; Y447-L529 HydrophobicContact CD2-CD2 3.83Å; Y447-L529 HydrophobicContact CE1-CD2 4.14Å; Y447-L529 HydrophobicContact CE2-CD2 3.73Å; Y447-L529 HydrophobicContact CG-CD2 4.09Å; Y447-T569 HydrophobicContact CE2-CG2 3.88Å
448	Q	96.4	Very high	96.9	Very high	14 Å²	14	15.5 Å²	15.5	7%	0.065	7%	0.067	C	C	.	.	H	α-helix	trans	-80.5	-36.6	-177.2	-64.6	-57.7	-27.2	0	0	113	R96 S394 A395 H400 Y404 S444 G445 F450	R96-Q448 PolarHBondContact O-NE2 2.79Å; S394-Q448 PolarHBondContact OG-O 3.36Å; A395-Q448 WeakPolarHBondContact CB-O 3.42Å; H400-Q448 HydrophobicContact CB-CG 4.26Å; H400-Q448 PolarHBondContact CD2-OE1 2.82Å; H400-Q448 WeakPolarHBondContact O-CB 3.26Å; H400-Q448 WeakPolarHBondContact O-CG 3.45Å; Y404-Q448 HydrophobicContact CD2-CB 4.48Å; Y404-Q448 HydrophobicContact CE2-CB 4.31Å; Y404-Q448 HydrophobicContact CE2-CG 4.35Å; S444-Q448 WeakPolarHBondContact O-CB 3.46Å; S444-Q448 VanDerWaalsContact O-CG 3.27Å; S444-Q448 WeakPolarHBondContact O-CG 2.95Å; S444-Q448 PolarHBondContact O-N 2.98Å; G445-Q448 PolarHBondContact O-N 2.94Å; Q448-F450 VanDerWaalsContact C-N 3.34Å
449	M	97.1	Very high	96.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	39.7	-179.2	-63.1	-58.5	-51	0	0	112.1	S394 A395 G401 T405 G445 G451 V452 L453	S394-M449 WeakPolarHBondContact OG-CA 2.93Å; A395-M449 HydrophobicContact CB-SD 4.48Å; G401-M449 WeakPolarHBondContact CA-SD 3.36Å; T405-M449 HydrophobicContact CG2-CE 3.46Å; T405-M449 VanDerWaalsContact CG2-CE 3.46Å; T405-M449 HydrophobicContact CG2-CG 4.3Å; T405-M449 HydrophobicContact CG2-SD 3.91Å; G445-M449 WeakPolarHBondContact O-CB 3.47Å; G445-M449 PolarHBondContact O-N 3.02Å; M449-G451 PolarHBondContact O-N 2.94Å; M449-V452 HydrophobicContact CE-CB 3.84Å; M449-V452 HydrophobicContact CE-CG1 3.66Å; M449-V452 HydrophobicContact CE-CG2 4.21Å; M449-V452 PolarHBondContact O-N 3.21Å; M449-L453 HydrophobicContact CB-CB 3.92Å; M449-L453 HydrophobicContact CB-CD1 3.67Å; M449-L453 HydrophobicContact CB-CG 3.62Å; M449-L453 HydrophobicContact CG-CD1 3.73Å; M449-L453 HydrophobicContact CG-CG 4.15Å; M449-L453 PolarHBondContact O-N 3.03Å
450	F	95.5	Very high	96.8	Very high	31 Å²	31	11.6 Å²	11.6	14%	0.136	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	137.3	178	68.2	-92.5	0	0	0	111.3	K393 S394 L446 Q448 V452 M497 Y499 L529	K393-F450 WeakPolarHBondContact O-CE2 3.37Å; K393-F450 WeakPolarHBondContact O-CZ 3.45Å; S394-F450 WeakPolarHBondContact CB-O 3.38Å; S394-F450 PolarHBondContact OG-N 3.37Å; S394-F450 PolarHBondContact OG-O 3.02Å; L446-F450 PolarHBondContact O-N 2.83Å; Q448-F450 VanDerWaalsContact C-N 3.34Å; F450-V452 PolarHBondContact O-N 3.43Å; F450-V452 VanDerWaalsContact O-N 3.12Å; F450-M497 HydrophobicContact CB-CB 3.88Å; F450-M497 WeakPolarHBondContact CB-O 3.21Å; F450-Y499 HydrophobicContact CD1-CE2 4.28Å; F450-Y499 AromaticContact CD2-CD2 3.94Å; F450-Y499 HydrophobicContact CD2-CD2 3.94Å; F450-Y499 HydrophobicContact CD2-CE2 4.1Å; F450-Y499 AromaticContact CE1-CE2 3.96Å; F450-Y499 HydrophobicContact CE1-CE2 3.96Å; F450-Y499 AromaticContact CE2-CD2 3.64Å; F450-Y499 HydrophobicContact CE2-CD2 3.64Å; F450-Y499 AromaticContact CE2-CE2 3.77Å; F450-Y499 HydrophobicContact CE2-CE2 3.77Å; F450-Y499 HydrophobicContact CG-CE2 4.36Å; F450-Y499 HydrophobicContact CZ-CD2 4.04Å; F450-Y499 AromaticContact CZ-CE2 3.69Å; F450-Y499 HydrophobicContact CZ-CE2 3.69Å; F450-L529 HydrophobicContact CB-CD1 3.71Å; F450-L529 HydrophobicContact CD1-CD1 4.44Å; F450-L529 HydrophobicContact CD2-CD1 4.34Å; F450-L529 HydrophobicContact CG-CD1 3.93Å
451	G	94.2	Very high	96.2	Very high	7 Å²	7	18 Å²	18	7%	0.072	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	12.1	-177.1	0	0	0	0	0	115.1	K393 M449 I474 N496 M497	K393-G451 VanDerWaalsContact CE-O 3.3Å; K393-G451 WeakPolarHBondContact CE-O 3.36Å; K393-G451 PolarHBondContact NZ-O 2.68Å; M449-G451 PolarHBondContact O-N 2.94Å; G451-I474 VanDerWaalsContact C-CD1 3.49Å; G451-I474 WeakPolarHBondContact O-CD1 3.43Å; G451-N496 WeakPolarHBondContact CA-OD1 3.45Å; G451-N496 PolarHBondContact N-OD1 3.32Å; G451-M497 PolarHBondContact N-O 2.76Å
452	V	96.2	Very high	95.5	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.03	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-45.5	179.8	179.8	0	0	0	0	111.5	D390 K393 M449 F450 I474	D390-V452 HydrophobicContact CB-CG1 4.48Å; D390-V452 HydrophobicContact CB-CG2 3.62Å; K393-V452 HydrophobicContact CD-CG2 4.29Å; M449-V452 HydrophobicContact CE-CB 3.84Å; M449-V452 HydrophobicContact CE-CG1 3.66Å; M449-V452 HydrophobicContact CE-CG2 4.21Å; M449-V452 PolarHBondContact O-N 3.21Å; F450-V452 PolarHBondContact O-N 3.43Å; F450-V452 VanDerWaalsContact O-N 3.12Å; V452-I474 PolarHBondContact O-N 3.24Å
453	L	97.6	Very high	94.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143.4	172.9	-58	-177.6	0	0	0	109.7	A408 M449 E471 F472 P473	A408-L453 HydrophobicContact CB-CD2 4.41Å; M449-L453 HydrophobicContact CB-CB 3.92Å; M449-L453 HydrophobicContact CB-CD1 3.67Å; M449-L453 HydrophobicContact CB-CG 3.62Å; M449-L453 HydrophobicContact CG-CD1 3.73Å; M449-L453 HydrophobicContact CG-CG 4.15Å; M449-L453 PolarHBondContact O-N 3.03Å; L453-E471 HydrophobicContact CD1-CB 4.22Å; L453-F472 WeakPolarHBondContact CA-O 3.37Å; L453-P473 HydrophobicContact CD2-CB 4.23Å; L453-P473 HydrophobicContact CD2-CG 4.02Å
454	A	98	Very high	94.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.6	173.9	0	0	0	0	0	111	E471 F472 I474 V494 I495	A454-E471 CarbonylContact O-C 3.48Å; A454-E471 WeakPolarHBondContact O-CA 3.48Å; A454-E471 PolarHBondContact O-N 3.5Å; A454-F472 PolarHBondContact N-O 3.06Å; A454-F472 PolarHBondContact O-N 3.4Å; A454-I474 HydrophobicContact CB-CG2 3.33Å; A454-V494 HydrophobicContact CB-CG1 3.49Å; A454-V494 VanDerWaalsContact CB-CG1 3.49Å; A454-I495 VanDerWaalsContact CA-O 3.25Å; A454-I495 WeakPolarHBondContact CA-O 3.38Å; A454-I495 WeakPolarHBondContact CB-O 3.39Å
455	D	98.6	Very high	94.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	140.4	164.7	-74.4	1.2	0	0	0	107.2	R439 L446 Y468 L469 E470 E471 I495	R439-D455 IonicContact CZ-OD2 3.25Å; R439-D455 IonicContact NE-OD2 3.71Å; R439-D455 PolarHBondContact NE-OD2 2.88Å; R439-D455 IonicContact NH2-OD1 3.25Å; R439-D455 IonicContact NH2-OD2 3.73Å; R439-D455 PolarHBondContact NH2-OD2 3.28Å; L446-D455 HydrophobicContact CD1-CB 4.11Å; L446-D455 WeakPolarHBondContact CD1-OD2 3.38Å; L446-D455 HydrophobicContact CD2-CB 4.39Å; D455-Y468 HydrophobicContact CB-CE1 3.6Å; D455-Y468 WeakPolarHBondContact CB-OH 3.45Å; D455-Y468 WeakPolarHBondContact OD2-CE1 3.36Å; D455-Y468 PolarHBondContact OD2-OH 2.99Å; D455-L469 CarbonylContact C-O 3.57Å; D455-L469 VanDerWaalsContact CA-O 3.27Å; D455-L469 WeakPolarHBondContact CA-O 3.4Å; D455-E470 VanDerWaalsContact OD1-CA 3.25Å; D455-E470 WeakPolarHBondContact OD1-CA 3.44Å; D455-E471 PolarHBondContact OD1-N 2.8Å; D455-I495 HydrophobicContact CB-CB 4.41Å; D455-I495 PolarHBondContact N-O 3.26Å; D455-I495 PolarHBondContact O-N 3.32Å
456	V	98.6	Very high	94.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.2	-176.2	-178	0	0	0	0	109.2	L458 L469 F472 L480 L492 F493 V494	V456-L458 HydrophobicContact CG1-CD2 3.92Å; V456-L458 HydrophobicContact CG1-CG 4.39Å; V456-L469 HydrophobicContact CB-CB 4.33Å; V456-L469 PolarHBondContact N-O 3.34Å; V456-L469 PolarHBondContact O-N 2.89Å; V456-F472 HydrophobicContact CG2-CB 3.99Å; V456-F472 HydrophobicContact CG2-CD1 4.38Å; V456-F472 HydrophobicContact CG2-CG 4.44Å; V456-L480 HydrophobicContact CG1-CD2 3.86Å; V456-L480 HydrophobicContact CG2-CD1 4.48Å; V456-L492 HydrophobicContact CG1-CD1 4.05Å; V456-F493 CarbonylContact C-O 3.29Å; V456-F493 WeakPolarHBondContact CA-O 3.41Å; V456-V494 HydrophobicContact CG2-CG1 4.49Å; V456-V494 HydrophobicContact CG2-CG2 4.49Å
457	I	98.6	Very high	94.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.9	176.1	-57.9	-177.4	0	0	0	108.3	L432 I436 F466 E467 Y468 L492 F493 I495	L432-I457 HydrophobicContact CD1-CD1 3.6Å; L432-I457 HydrophobicContact CD1-CG2 3.92Å; I436-I457 HydrophobicContact CD1-CD1 3.79Å; I436-I457 HydrophobicContact CG1-CD1 3.63Å; I457-F466 HydrophobicContact CG2-CB 3.66Å; I457-F466 HydrophobicContact CG2-CD2 3.62Å; I457-F466 HydrophobicContact CG2-CE2 4.49Å; I457-F466 HydrophobicContact CG2-CG 3.81Å; I457-E467 CarbonylContact C-O 3.56Å; I457-E467 WeakPolarHBondContact CA-O 3.25Å; I457-Y468 HydrophobicContact CD1-CD2 3.76Å; I457-Y468 HydrophobicContact CD1-CE2 3.65Å; I457-Y468 HydrophobicContact CG1-CD2 3.61Å; I457-Y468 HydrophobicContact CG1-CE2 3.74Å; I457-Y468 HydrophobicContact CG1-CG 4.4Å; I457-L492 CarbonylContact O-C 3.36Å; I457-L492 WeakPolarHBondContact O-CA 3.32Å; I457-L492 VanDerWaalsContact O-CB 3.3Å; I457-L492 WeakPolarHBondContact O-CB 3.47Å; I457-F493 HydrophobicContact CB-CB 4.1Å; I457-F493 HydrophobicContact CB-CD2 4.38Å; I457-F493 HydrophobicContact CG2-CD2 4.34Å; I457-F493 PolarHBondContact N-O 3.41Å; I457-F493 PolarHBondContact O-N 3.42Å; I457-I495 HydrophobicContact CD1-CD1 3.8Å; I457-I495 HydrophobicContact CG1-CD1 4.26Å
458	L	98.3	Very high	94.3	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.2	177.7	-60.1	-179.5	0	0	0	110	V456 F466 E467 L469 L480 R486 A488 L492	V456-L458 HydrophobicContact CG1-CD2 3.92Å; V456-L458 HydrophobicContact CG1-CG 4.39Å; L458-F466 CarbonylContact O-C 3.57Å; L458-F466 WeakPolarHBondContact O-CA 3.24Å; L458-F466 WeakPolarHBondContact O-CB 3.18Å; L458-E467 HydrophobicContact CB-CB 4.27Å; L458-E467 PolarHBondContact N-O 3.19Å; L458-E467 PolarHBondContact O-N 2.83Å; L458-L469 HydrophobicContact CD1-CD1 3.82Å; L458-L469 HydrophobicContact CD1-CD2 4.36Å; L458-L469 HydrophobicContact CG-CD1 3.99Å; L458-L480 HydrophobicContact CD2-CD2 3.78Å; L458-R486 HydrophobicContact CD1-CB 3.55Å; L458-A488 HydrophobicContact CD2-CB 3.65Å; L458-L492 HydrophobicContact CD2-CB 3.89Å; L458-L492 HydrophobicContact CD2-CD1 4.5Å
459	L	97	Very high	94.4	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	132.5	177.2	-63.4	174.6	0	0	0	110.5	I429 F466 H490 G491 F493 Y535 L589	I429-L459 HydrophobicContact CD1-CD2 3.91Å; L459-F466 HydrophobicContact CD2-CB 4.37Å; L459-H490 HydrophobicContact CB-CB 4.2Å; L459-H490 WeakPolarHBondContact CD1-O 3.08Å; L459-H490 WeakPolarHBondContact O-CB 3.35Å; L459-H490 PolarHBondContact O-ND1 3.25Å; L459-G491 WeakPolarHBondContact CB-O 3.38Å; L459-G491 PolarHBondContact N-O 2.9Å; L459-G491 VanDerWaalsContact N-O 3.08Å; L459-F493 HydrophobicContact CD1-CE2 4.06Å; L459-F493 HydrophobicContact CD2-CE2 4.09Å; L459-F493 HydrophobicContact CG-CE2 4.32Å; L459-Y535 HydrophobicContact CD1-CE2 4.18Å; L459-L589 HydrophobicContact CD1-CD2 3.51Å; L459-L589 HydrophobicContact CD2-CD2 4Å; L459-L589 HydrophobicContact CG-CD2 4.42Å
460	K	93.8	Very high	94.4	Very high	62 Å²	62	25.7 Å²	25.7	27%	0.27	13%	0.133	S	C	.	.	P	Polyproline II helix	trans	-83.4	173.3	171.9	-62.9	-71	-173.8	169.8	0	110.3	E426 N462 A463 A465 E467	E426-K460 WeakPolarHBondContact OE2-CE 3.46Å; E426-K460 IonicContact OE2-NZ 2.75Å; K460-N462 PolarHBondContact O-N 2.76Å; K460-A463 PolarHBondContact O-N 3.48Å; K460-A465 HydrophobicContact CB-CB 4.26Å; K460-A465 WeakPolarHBondContact CB-O 3.35Å; K460-A465 HydrophobicContact CG-CB 4.22Å; K460-A465 PolarHBondContact N-O 3.06Å; K460-E467 IonicContact NZ-OE1 3.18Å; K460-E467 PolarHBondContact NZ-OE1 2.97Å; K460-E467 IonicContact NZ-OE2 3.71Å; K460-E467 PolarHBondContact NZ-OE2 2.81Å
461	E	85.8	Confident	94.4	Very high	136 Å²	136	24.2 Å²	24.2	64%	0.636	13%	0.127	S	C	*	.	G	3₁₀ helix	trans	-53.8	136.9	179.9	-167.2	173.6	178.9	0	0	110.9	A463 H490	E461-A463 PolarHBondContact O-N 2.93Å; E461-A463 VanDerWaalsContact O-N 3.1Å; E461-H490 PolarHBondContact N-CE1 3.13Å; E461-H490 PolarHBondContact N-ND1 2.73Å
462	N	80.8	Confident	94.6	Very high	134 Å²	134	24 Å²	24	72%	0.717	12%	0.124	S	C	*	.	G	3₁₀ helix	trans	59.9	13	-175.7	-53.6	-38.9	0	0	0	115.7	K460 M464	K460-N462 PolarHBondContact O-N 2.76Å; N462-M464 HydrophobicContact CB-CG 4.19Å; N462-M464 PolarHBondContact O-N 2.95Å; N462-M464 VanDerWaalsContact O-N 3.11Å
463	A	80	Confident	94.6	Very high	24 Å²	24	23.9 Å²	23.9	20%	0.198	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	52.7	29.9	-178.6	0	0	0	0	0	114.1	I429 K460 E461 L589	I429-A463 WeakPolarHBondContact CB-O 3.38Å; I429-A463 WeakPolarHBondContact CD1-O 3.16Å; I429-A463 WeakPolarHBondContact CG1-O 3.35Å; I429-A463 WeakPolarHBondContact CG2-O 3.48Å; K460-A463 PolarHBondContact O-N 3.48Å; E461-A463 PolarHBondContact O-N 2.93Å; E461-A463 VanDerWaalsContact O-N 3.1Å; A463-L589 HydrophobicContact CB-CD2 4.21Å
464	M	86.3	Confident	94.5	Very high	44 Å²	44	24 Å²	24	22%	0.217	12%	0.124	C	C	.	.	S	Bend	trans	-87.1	-16.4	178.8	-67.5	-59.1	-73.3	0	0	113.4	I429 N462 P613 Q616 Q617	I429-M464 PolarHBondContact N-O 3.02Å; N462-M464 HydrophobicContact CB-CG 4.19Å; N462-M464 PolarHBondContact O-N 2.95Å; N462-M464 VanDerWaalsContact O-N 3.11Å; M464-P613 HydrophobicContact CE-CB 4.14Å; M464-P613 HydrophobicContact SD-CB 4.22Å; M464-P613 HydrophobicContact SD-CG 4.35Å; M464-Q616 HydrophobicContact CE-CB 4.25Å; M464-Q616 VanDerWaalsContact CE-OE1 3.24Å; M464-Q617 HydrophobicContact CE-CG 4.02Å; M464-Q617 PolarHBondContact O-NE2 3.33Å
465	A	93.9	Very high	94.3	Very high	19 Å²	19	27.4 Å²	27.4	16%	0.157	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	166	176.6	0	0	0	0	0	110.2	L427 K460	L427-A465 CarbonylContact O-C 3.59Å; L427-A465 VanDerWaalsContact O-CA 3.3Å; L427-A465 WeakPolarHBondContact O-CA 3.17Å; L427-A465 WeakPolarHBondContact O-CB 3.19Å; K460-A465 HydrophobicContact CB-CB 4.26Å; K460-A465 WeakPolarHBondContact CB-O 3.35Å; K460-A465 HydrophobicContact CG-CB 4.22Å; K460-A465 PolarHBondContact N-O 3.06Å
466	F	97.3	Very high	94.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.1	175.1	66	-90	0	0	0	111.7	E426 L427 P428 I429 L432 I457 L458 L459 Y468	E426-F466 VanDerWaalsContact CA-O 3.32Å; E426-F466 WeakPolarHBondContact CA-O 3.3Å; L427-F466 HydrophobicContact CB-CE1 3.89Å; L427-F466 HydrophobicContact CB-CE2 4.01Å; L427-F466 HydrophobicContact CB-CZ 3.59Å; L427-F466 HydrophobicContact CD1-CE2 4.16Å; L427-F466 HydrophobicContact CD1-CZ 3.94Å; L427-F466 HydrophobicContact CG-CZ 4.36Å; L427-F466 PolarHBondContact N-O 3.37Å; L427-F466 PolarHBondContact O-N 3.12Å; P428-F466 VanDerWaalsContact O-CE1 3.27Å; P428-F466 WeakPolarHBondContact O-CE1 3.27Å; I429-F466 HydrophobicContact CD1-CD1 4.14Å; L432-F466 HydrophobicContact CB-CD1 4.24Å; L432-F466 HydrophobicContact CB-CE1 3.82Å; L432-F466 HydrophobicContact CB-CZ 4.44Å; L432-F466 HydrophobicContact CD1-CD1 4.04Å; L432-F466 HydrophobicContact CD1-CD2 4.41Å; L432-F466 HydrophobicContact CD1-CE1 4Å; L432-F466 HydrophobicContact CD1-CE2 4.37Å; L432-F466 HydrophobicContact CD1-CG 4.23Å; L432-F466 HydrophobicContact CD1-CZ 4.16Å; I457-F466 HydrophobicContact CG2-CB 3.66Å; I457-F466 HydrophobicContact CG2-CD2 3.62Å; I457-F466 HydrophobicContact CG2-CE2 4.49Å; I457-F466 HydrophobicContact CG2-CG 3.81Å; L458-F466 CarbonylContact O-C 3.57Å; L458-F466 WeakPolarHBondContact O-CA 3.24Å; L458-F466 WeakPolarHBondContact O-CB 3.18Å; L459-F466 HydrophobicContact CD2-CB 4.37Å; F466-Y468 HydrophobicContact CE2-CD2 4.07Å
467	E	98	Very high	94.1	Very high	15 Å²	15	27.8 Å²	27.8	7%	0.07	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131	166.4	-83	171.2	158.1	0	0	110.3	A424 T425 E426 I457 L458 K460 L469 R486	A424-E467 HydrophobicContact CB-CB 4.29Å; T425-E467 WeakPolarHBondContact O-CA 3.13Å; E426-E467 HydrophobicContact CB-CG 4.27Å; E426-E467 HydrophobicContact CG-CG 4.46Å; I457-E467 CarbonylContact C-O 3.56Å; I457-E467 WeakPolarHBondContact CA-O 3.25Å; L458-E467 HydrophobicContact CB-CB 4.27Å; L458-E467 PolarHBondContact N-O 3.19Å; L458-E467 PolarHBondContact O-N 2.83Å; K460-E467 IonicContact NZ-OE1 3.18Å; K460-E467 PolarHBondContact NZ-OE1 2.97Å; K460-E467 IonicContact NZ-OE2 3.71Å; K460-E467 PolarHBondContact NZ-OE2 2.81Å; E467-L469 HydrophobicContact CB-CD1 4.04Å; E467-R486 VanDerWaalsContact CD-NH1 3.33Å; E467-R486 IonicContact OE1-CZ 3.55Å; E467-R486 IonicContact OE1-NH1 2.8Å; E467-R486 PolarHBondContact OE1-NH1 2.93Å; E467-R486 WeakPolarHBondContact OE2-CD 3.48Å
468	Y	98.3	Very high	94	Very high	9 Å²	9	28.9 Å²	28.9	4%	0.035	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	114.7	177.9	-161.1	-71.7	0	0	0	110.5	A424 T425 R439 D455 I457 F466 E470 I495	A424-Y468 WeakPolarHBondContact CA-O 3.27Å; A424-Y468 WeakPolarHBondContact CB-O 3.43Å; T425-Y468 PolarHBondContact N-O 3.16Å; T425-Y468 VanDerWaalsContact N-O 3.1Å; T425-Y468 PolarHBondContact O-N 2.91Å; R439-Y468 WeakPolarHBondContact CB-OH 3.41Å; R439-Y468 HydrophobicContact CG-CE1 3.85Å; R439-Y468 HydrophobicContact CG-CE2 4.18Å; R439-Y468 WeakPolarHBondContact CG-OH 3.41Å; D455-Y468 HydrophobicContact CB-CE1 3.6Å; D455-Y468 WeakPolarHBondContact CB-OH 3.45Å; D455-Y468 WeakPolarHBondContact OD2-CE1 3.36Å; D455-Y468 PolarHBondContact OD2-OH 2.99Å; I457-Y468 HydrophobicContact CD1-CD2 3.76Å; I457-Y468 HydrophobicContact CD1-CE2 3.65Å; I457-Y468 HydrophobicContact CG1-CD2 3.61Å; I457-Y468 HydrophobicContact CG1-CE2 3.74Å; I457-Y468 HydrophobicContact CG1-CG 4.4Å; F466-Y468 HydrophobicContact CE2-CD2 4.07Å; Y468-E470 HydrophobicContact CD1-CG 4.1Å; Y468-E470 HydrophobicContact CE1-CG 4.01Å; Y468-I495 HydrophobicContact CE2-CD1 4.16Å
469	L	98.2	Very high	94	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.6	178.7	-70.8	71.4	0	0	0	109.1	W422 A424 D455 V456 L458 E467 L480 T484 R486	W422-L469 HydrophobicContact CB-CD2 4.4Å; W422-L469 HydrophobicContact CG-CD2 4.34Å; A424-L469 HydrophobicContact CB-CD1 3.73Å; A424-L469 HydrophobicContact CB-CG 3.87Å; D455-L469 CarbonylContact C-O 3.57Å; D455-L469 VanDerWaalsContact CA-O 3.27Å; D455-L469 WeakPolarHBondContact CA-O 3.4Å; V456-L469 HydrophobicContact CB-CB 4.33Å; V456-L469 PolarHBondContact N-O 3.34Å; V456-L469 PolarHBondContact O-N 2.89Å; L458-L469 HydrophobicContact CD1-CD1 3.82Å; L458-L469 HydrophobicContact CD1-CD2 4.36Å; L458-L469 HydrophobicContact CG-CD1 3.99Å; E467-L469 HydrophobicContact CB-CD1 4.04Å; L469-L480 HydrophobicContact CD2-CD1 4.5Å; L469-T484 HydrophobicContact CD2-CG2 3.99Å; L469-R486 HydrophobicContact CD2-CB 4.37Å; L469-R486 HydrophobicContact CD2-CG 4.12Å
470	E	97.3	Very high	94	Very high	47 Å²	47	32.2 Å²	32.2	22%	0.22	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	143.3	-179.7	-62.9	172.4	-176.6	0	0	112.1	R411 W422 R439 D455 Y468 F472	R411-E470 PolarHBondContact NH1-O 2.81Å; R411-E470 IonicContact NH2-OE2 2.78Å; W422-E470 PolarHBondContact NE1-O 2.88Å; R439-E470 IonicContact CZ-OE1 3.9Å; R439-E470 IonicContact NE-OE1 3.21Å; D455-E470 VanDerWaalsContact OD1-CA 3.25Å; D455-E470 WeakPolarHBondContact OD1-CA 3.44Å; Y468-E470 HydrophobicContact CD1-CG 4.1Å; Y468-E470 HydrophobicContact CE1-CG 4.01Å; E470-F472 PolarHBondContact O-N 3.19Å
471	E	96.3	Very high	94.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.1	45.4	162.8	-61.2	173.2	174.2	0	0	116.1	Y404 R407 R411 W422 G445 L453 A454 D455	Y404-E471 VanDerWaalsContact CD1-OE1 3.25Å; Y404-E471 WeakPolarHBondContact CD1-OE1 3.33Å; R407-E471 IonicContact CZ-OE1 3.34Å; R407-E471 IonicContact CZ-OE2 3.58Å; R407-E471 IonicContact NE-OE2 2.67Å; R407-E471 PolarHBondContact NE-OE2 3.02Å; R407-E471 IonicContact NH2-OE1 3.59Å; R407-E471 PolarHBondContact NH2-OE1 3.49Å; R407-E471 IonicContact NH2-OE2 3.92Å; R407-E471 PolarHBondContact NH2-OE2 3.3Å; R411-E471 IonicContact NH1-OE2 3.87Å; W422-E471 WeakPolarHBondContact CZ2-O 3.48Å; G445-E471 VanDerWaalsContact CA-OE1 3.3Å; G445-E471 WeakPolarHBondContact CA-OE1 3.46Å; L453-E471 HydrophobicContact CD1-CB 4.22Å; A454-E471 CarbonylContact O-C 3.48Å; A454-E471 WeakPolarHBondContact O-CA 3.48Å; A454-E471 PolarHBondContact O-N 3.5Å; D455-E471 PolarHBondContact OD1-N 2.8Å
472	F	97.6	Very high	94.6	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.5	174.8	-174	-97.6	0	0	0	111.9	W422 L453 A454 V456 E470 I474 M476 L480 L483 T484	W422-F472 HydrophobicContact CH2-CD2 4.31Å; W422-F472 HydrophobicContact CZ2-CB 4.5Å; W422-F472 HydrophobicContact CZ2-CD2 4.36Å; W422-F472 HydrophobicContact CZ3-CD2 4.42Å; L453-F472 WeakPolarHBondContact CA-O 3.37Å; A454-F472 PolarHBondContact N-O 3.06Å; A454-F472 PolarHBondContact O-N 3.4Å; V456-F472 HydrophobicContact CG2-CB 3.99Å; V456-F472 HydrophobicContact CG2-CD1 4.38Å; V456-F472 HydrophobicContact CG2-CG 4.44Å; E470-F472 PolarHBondContact O-N 3.19Å; F472-I474 PolarHBondContact O-N 3.33Å; F472-M476 HydrophobicContact CE1-CB 3.97Å; F472-M476 HydrophobicContact CZ-CB 3.81Å; F472-L480 HydrophobicContact CD1-CD1 3.77Å; F472-L480 HydrophobicContact CD2-CD1 3.74Å; F472-L480 HydrophobicContact CE1-CD1 3.7Å; F472-L480 HydrophobicContact CE2-CD1 3.67Å; F472-L480 HydrophobicContact CG-CD1 3.79Å; F472-L480 HydrophobicContact CZ-CB 4.3Å; F472-L480 HydrophobicContact CZ-CD1 3.64Å; F472-L483 HydrophobicContact CE2-CB 4.42Å; F472-L483 HydrophobicContact CZ-CD1 4.32Å; F472-T484 HydrophobicContact CD2-CG2 3.82Å; F472-T484 HydrophobicContact CE2-CG2 3.65Å
473	P	96.9	Very high	95.3	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.019	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	114.1	176.4	-22	33.7	0	0	0	112.8	A408 L453 Q475 M476	A408-P473 HydrophobicContact CB-CG 4.15Å; L453-P473 HydrophobicContact CD2-CB 4.23Å; L453-P473 HydrophobicContact CD2-CG 4.02Å; P473-Q475 VanDerWaalsContact C-N 3.27Å; P473-Q475 PolarHBondContact O-N 3.43Å; P473-Q475 VanDerWaalsContact O-N 3.16Å; P473-M476 HydrophobicContact CB-CB 4.49Å; P473-M476 HydrophobicContact CB-CG 4.1Å; P473-M476 HydrophobicContact CB-SD 4.14Å; P473-M476 HydrophobicContact CG-SD 4.35Å; P473-M476 WeakPolarHBondContact O-CB 3.24Å; P473-M476 PolarHBondContact O-N 3.44Å
474	I	95.3	Very high	96.1	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.015	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-63.4	-31	-168.8	69.6	173.3	0	0	0	114	G451 V452 A454 F472 M476 L477 P553 L554	G451-I474 VanDerWaalsContact C-CD1 3.49Å; G451-I474 WeakPolarHBondContact O-CD1 3.43Å; V452-I474 PolarHBondContact O-N 3.24Å; A454-I474 HydrophobicContact CB-CG2 3.33Å; F472-I474 PolarHBondContact O-N 3.33Å; I474-M476 PolarHBondContact O-N 3.44Å; I474-M476 VanDerWaalsContact O-N 3.14Å; I474-L477 WeakPolarHBondContact O-CB 3.4Å; I474-L477 PolarHBondContact O-N 3.4Å; I474-P553 HydrophobicContact CD1-CB 3.67Å; I474-L554 HydrophobicContact CB-CD2 3.93Å
475	Q	94.1	Very high	96.5	Very high	72 Å²	72	23.4 Å²	23.4	34%	0.336	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-69.2	-10.1	178.4	-67.2	-171.2	26	0	0	112.6	A369 P473	A369-Q475 HydrophobicContact CB-CB 3.61Å; P473-Q475 VanDerWaalsContact C-N 3.27Å; P473-Q475 PolarHBondContact O-N 3.43Å; P473-Q475 VanDerWaalsContact O-N 3.16Å
476	M	95.7	Very high	96.6	Very high	9 Å²	9	24.8 Å²	24.8	4%	0.044	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-102.8	10.1	178.5	-56.4	-169.3	78.5	0	0	112.7	A369 S370 L412 F472 P473 I474 A478 Q479 L480 L483	A369-M476 HydrophobicContact CB-CG 3.81Å; S370-M476 WeakPolarHBondContact CA-SD 3.49Å; S370-M476 PolarHBondContact N-SD 3.37Å; L412-M476 HydrophobicContact CD1-SD 4.17Å; F472-M476 HydrophobicContact CE1-CB 3.97Å; F472-M476 HydrophobicContact CZ-CB 3.81Å; P473-M476 HydrophobicContact CB-CB 4.49Å; P473-M476 HydrophobicContact CB-CG 4.1Å; P473-M476 HydrophobicContact CB-SD 4.14Å; P473-M476 HydrophobicContact CG-SD 4.35Å; P473-M476 WeakPolarHBondContact O-CB 3.24Å; P473-M476 PolarHBondContact O-N 3.44Å; I474-M476 PolarHBondContact O-N 3.44Å; I474-M476 VanDerWaalsContact O-N 3.14Å; M476-A478 VanDerWaalsContact C-N 3.26Å; M476-A478 PolarHBondContact O-N 3.42Å; M476-Q479 CarbonylContact O-C 3.48Å; M476-Q479 WeakPolarHBondContact O-CA 3.43Å; M476-Q479 PolarHBondContact O-N 2.85Å; M476-L480 PolarHBondContact O-N 3.15Å; M476-L483 HydrophobicContact CB-CD1 3.95Å; M476-L483 HydrophobicContact CE-CD1 3.19Å; M476-L483 HydrophobicContact CE-CD2 4.23Å; M476-L483 HydrophobicContact CE-CG 4.34Å; M476-L483 HydrophobicContact SD-CD1 4.12Å
477	L	97.1	Very high	96.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-54.8	-39.4	-173.1	-174.6	61.9	0	0	0	113	I474 Q479 L480 L492 V494 Y536 L539 P540 L554	I474-L477 WeakPolarHBondContact O-CB 3.4Å; I474-L477 PolarHBondContact O-N 3.4Å; L477-Q479 PolarHBondContact O-N 2.97Å; L477-Q479 VanDerWaalsContact O-N 3.11Å; L477-L480 HydrophobicContact CD1-CD2 4.37Å; L477-L480 WeakPolarHBondContact O-CB 3.17Å; L477-L480 PolarHBondContact O-N 3.27Å; L477-L492 HydrophobicContact CD1-CD1 3.97Å; L477-V494 HydrophobicContact CD1-CG2 4.04Å; L477-V494 HydrophobicContact CD2-CG2 4.02Å; L477-Y536 HydrophobicContact CD2-CE2 4.17Å; L477-L539 HydrophobicContact CD1-CD1 4.32Å; L477-L539 HydrophobicContact CG-CD1 4.45Å; L477-L539 WeakPolarHBondContact O-CD1 3.44Å; L477-P540 HydrophobicContact CD2-CB 4.5Å; L477-P540 HydrophobicContact CD2-CG 3.79Å; L477-P540 HydrophobicContact CG-CG 4.35Å; L477-L554 HydrophobicContact CD2-CD2 3.75Å
478	A	96.9	Very high	96.3	Very high	23 Å²	23	29.5 Å²	29.5	19%	0.19	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-62.8	-20.1	177.8	0	0	0	0	0	114.5	M476 P540 E542 V545	M476-A478 VanDerWaalsContact C-N 3.26Å; M476-A478 PolarHBondContact O-N 3.42Å; A478-P540 WeakPolarHBondContact CA-O 3.16Å; A478-P540 VanDerWaalsContact CB-O 3.27Å; A478-P540 WeakPolarHBondContact CB-O 3.27Å; A478-E542 HydrophobicContact CB-CB 4.34Å; A478-E542 HydrophobicContact CB-CG 3.79Å; A478-V545 HydrophobicContact CB-CG2 3.93Å
479	Q	96.7	Very high	96	Very high	74 Å²	74	37.7 Å²	37.7	35%	0.346	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-105.1	11	-179.9	-64.1	164.3	16.8	0	0	111.7	M476 L477 E481 T482 L483 E542	M476-Q479 CarbonylContact O-C 3.48Å; M476-Q479 WeakPolarHBondContact O-CA 3.43Å; M476-Q479 PolarHBondContact O-N 2.85Å; L477-Q479 PolarHBondContact O-N 2.97Å; L477-Q479 VanDerWaalsContact O-N 3.11Å; Q479-E481 VanDerWaalsContact C-N 3.31Å; Q479-E481 PolarHBondContact O-N 2.92Å; Q479-T482 PolarHBondContact O-N 2.94Å; Q479-T482 VanDerWaalsContact O-N 3.11Å; Q479-L483 HydrophobicContact CB-CD1 3.46Å; Q479-L483 VanDerWaalsContact CB-CD1 3.46Å; Q479-L483 HydrophobicContact CB-CG 3.95Å; Q479-L483 WeakPolarHBondContact O-CB 3.25Å; Q479-L483 VanDerWaalsContact O-CG 3.27Å; Q479-L483 WeakPolarHBondContact O-CG 3.38Å; Q479-L483 PolarHBondContact O-N 3.4Å; Q479-E542 PolarHBondContact NE2-OE1 3.01Å
480	L	97.5	Very high	95.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-48.8	-50.8	-174.7	-177.9	73.9	0	0	0	111.8	V456 L458 L469 F472 M476 L477 T482 L483 T484 A488 L492 L539	V456-L480 HydrophobicContact CG1-CD2 3.86Å; V456-L480 HydrophobicContact CG2-CD1 4.48Å; L458-L480 HydrophobicContact CD2-CD2 3.78Å; L469-L480 HydrophobicContact CD2-CD1 4.5Å; F472-L480 HydrophobicContact CD1-CD1 3.77Å; F472-L480 HydrophobicContact CD2-CD1 3.74Å; F472-L480 HydrophobicContact CE1-CD1 3.7Å; F472-L480 HydrophobicContact CE2-CD1 3.67Å; F472-L480 HydrophobicContact CG-CD1 3.79Å; F472-L480 HydrophobicContact CZ-CB 4.3Å; F472-L480 HydrophobicContact CZ-CD1 3.64Å; M476-L480 PolarHBondContact O-N 3.15Å; L477-L480 HydrophobicContact CD1-CD2 4.37Å; L477-L480 WeakPolarHBondContact O-CB 3.17Å; L477-L480 PolarHBondContact O-N 3.27Å; L480-T482 PolarHBondContact O-N 2.86Å; L480-L483 PolarHBondContact O-N 2.82Å; L480-T484 HydrophobicContact CD1-CG2 3.75Å; L480-T484 HydrophobicContact CG-CG2 4.36Å; L480-T484 VanDerWaalsContact O-CB 3.3Å; L480-T484 WeakPolarHBondContact O-CB 3.41Å; L480-T484 VanDerWaalsContact O-CG2 3.29Å; L480-T484 WeakPolarHBondContact O-CG2 3.43Å; L480-T484 PolarHBondContact O-N 2.74Å; L480-T484 PolarHBondContact O-OG1 2.93Å; L480-A488 HydrophobicContact CD2-CB 4.45Å; L480-L492 HydrophobicContact CD2-CD1 4.21Å; L480-L539 HydrophobicContact CB-CD1 3.91Å; L480-L539 HydrophobicContact CB-CD2 4.3Å; L480-L539 HydrophobicContact CD2-CD1 3.89Å
481	E	96.8	Very high	95.7	Very high	47 Å²	47	39.4 Å²	39.4	22%	0.22	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-43.4	-177.3	-56.4	-159	153.1	0	0	113	Q479 L483 G485 R486 K487 A488 L539	Q479-E481 VanDerWaalsContact C-N 3.31Å; Q479-E481 PolarHBondContact O-N 2.92Å; E481-L483 VanDerWaalsContact C-N 3.27Å; E481-L483 PolarHBondContact O-N 3.32Å; E481-G485 WeakPolarHBondContact O-CA 3.47Å; E481-G485 PolarHBondContact O-N 2.79Å; E481-R486 WeakPolarHBondContact CA-O 3.44Å; E481-R486 WeakPolarHBondContact CB-O 3.41Å; E481-R486 WeakPolarHBondContact CG-O 3.27Å; E481-K487 HydrophobicContact CB-CD 4.45Å; E481-K487 HydrophobicContact CG-CD 4.36Å; E481-K487 WeakPolarHBondContact OE1-CA 3.26Å; E481-K487 VanDerWaalsContact OE2-CD 3.22Å; E481-K487 WeakPolarHBondContact OE2-CD 3.49Å; E481-K487 IonicContact OE2-NZ 2.62Å; E481-K487 PolarHBondContact OE2-NZ 3.03Å; E481-A488 HydrophobicContact CG-CB 4.44Å; E481-A488 PolarHBondContact OE1-N 3.32Å; E481-L539 HydrophobicContact CG-CD2 3.98Å
482	T	95.8	Very high	95.8	Very high	112 Å²	112	39.4 Å²	39.4	69%	0.687	20%	0.197	S	C	*	.	H	α-helix	trans	-69.5	-26.6	-178	-52.3	0	0	0	0	112.4	H415 Q479 L480	H415-T482 PolarHBondContact CD2-O 2.94Å; H415-T482 PolarHBondContact NE2-O 2.98Å; Q479-T482 PolarHBondContact O-N 2.94Å; Q479-T482 VanDerWaalsContact O-N 3.11Å; L480-T482 PolarHBondContact O-N 2.86Å
483	L	95.6	Very high	95.8	Very high	16 Å²	16	39.4 Å²	39.4	8%	0.084	20%	0.197	C	C	.	.	H	α-helix	trans	-97.9	-21.5	-175.7	-65.2	170.3	0	0	0	113.6	L412 H415 F472 M476 Q479 L480 E481	L412-L483 HydrophobicContact CD2-CB 3.92Å; L412-L483 HydrophobicContact CD2-CD1 4.38Å; L412-L483 HydrophobicContact CD2-CD2 4.28Å; L412-L483 HydrophobicContact CD2-CG 4.43Å; H415-L483 WeakPolarHBondContact CB-O 3.37Å; H415-L483 PolarHBondContact CD2-O 3.42Å; F472-L483 HydrophobicContact CE2-CB 4.42Å; F472-L483 HydrophobicContact CZ-CD1 4.32Å; M476-L483 HydrophobicContact CB-CD1 3.95Å; M476-L483 HydrophobicContact CE-CD1 3.19Å; M476-L483 HydrophobicContact CE-CD2 4.23Å; M476-L483 HydrophobicContact CE-CG 4.34Å; M476-L483 HydrophobicContact SD-CD1 4.12Å; Q479-L483 HydrophobicContact CB-CD1 3.46Å; Q479-L483 VanDerWaalsContact CB-CD1 3.46Å; Q479-L483 HydrophobicContact CB-CG 3.95Å; Q479-L483 WeakPolarHBondContact O-CB 3.25Å; Q479-L483 VanDerWaalsContact O-CG 3.27Å; Q479-L483 WeakPolarHBondContact O-CG 3.38Å; Q479-L483 PolarHBondContact O-N 3.4Å; L480-L483 PolarHBondContact O-N 2.82Å; E481-L483 VanDerWaalsContact C-N 3.27Å; E481-L483 PolarHBondContact O-N 3.32Å
484	T	96.6	Very high	95.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-108.5	-18.8	-177.6	64.7	0	0	0	0	113.2	A421 W422 L469 F472 L480 R486	A421-T484 WeakPolarHBondContact CA-O 3.47Å; W422-T484 HydrophobicContact CB-CG2 3.78Å; W422-T484 HydrophobicContact CD2-CG2 4.16Å; W422-T484 HydrophobicContact CE3-CG2 4.21Å; W422-T484 HydrophobicContact CG-CG2 4.01Å; W422-T484 PolarHBondContact N-O 3Å; L469-T484 HydrophobicContact CD2-CG2 3.99Å; F472-T484 HydrophobicContact CD2-CG2 3.82Å; F472-T484 HydrophobicContact CE2-CG2 3.65Å; L480-T484 HydrophobicContact CD1-CG2 3.75Å; L480-T484 HydrophobicContact CG-CG2 4.36Å; L480-T484 VanDerWaalsContact O-CB 3.3Å; L480-T484 WeakPolarHBondContact O-CB 3.41Å; L480-T484 VanDerWaalsContact O-CG2 3.29Å; L480-T484 WeakPolarHBondContact O-CG2 3.43Å; L480-T484 PolarHBondContact O-N 2.74Å; L480-T484 PolarHBondContact O-OG1 2.93Å; T484-R486 PolarHBondContact O-N 3.07Å; T484-R486 WeakPolarHBondContact OG1-CB 3.24Å; T484-R486 PolarHBondContact OG1-N 3.02Å; T484-R486 VanDerWaalsContact OG1-N 3.14Å
485	G	95.5	Very high	96.1	Very high	41 Å²	41	39.1 Å²	39.1	42%	0.423	20%	0.196	S	C	.	.	S	Bend	trans	70.7	7.9	-168.8	0	0	0	0	0	113.6	H415 E481	H415-G485 WeakPolarHBondContact CE1-CA 3.4Å; H415-G485 PolarHBondContact CE1-N 2.95Å; H415-G485 PolarHBondContact NE2-N 2.99Å; E481-G485 WeakPolarHBondContact O-CA 3.47Å; E481-G485 PolarHBondContact O-N 2.79Å
486	R	95.6	Very high	96.2	Very high	47 Å²	47	35.7 Å²	35.7	18%	0.177	18%	0.18	C	C	.	.			trans	-104.3	145	-176.7	-56.3	-113.3	-178.1	-155.3	-0.3	110.5	W422 A424 L458 E467 L469 E481 T484	W422-R486 PolarHBondContact O-NE 3.38Å; W422-R486 PolarHBondContact O-NH2 2.94Å; A424-R486 VanDerWaalsContact CB-NH2 3.31Å; L458-R486 HydrophobicContact CD1-CB 3.55Å; E467-R486 VanDerWaalsContact CD-NH1 3.33Å; E467-R486 IonicContact OE1-CZ 3.55Å; E467-R486 IonicContact OE1-NH1 2.8Å; E467-R486 PolarHBondContact OE1-NH1 2.93Å; E467-R486 WeakPolarHBondContact OE2-CD 3.48Å; L469-R486 HydrophobicContact CD2-CB 4.37Å; L469-R486 HydrophobicContact CD2-CG 4.12Å; E481-R486 WeakPolarHBondContact CA-O 3.44Å; E481-R486 WeakPolarHBondContact CB-O 3.41Å; E481-R486 WeakPolarHBondContact CG-O 3.27Å; T484-R486 PolarHBondContact O-N 3.07Å; T484-R486 WeakPolarHBondContact OG1-CB 3.24Å; T484-R486 PolarHBondContact OG1-N 3.02Å; T484-R486 VanDerWaalsContact OG1-N 3.14Å
487	K	94.9	Very high	96.2	Very high	110 Å²	110	35.4 Å²	35.4	48%	0.478	18%	0.178	S	C	.	.			trans	-100.8	132.2	-174.1	-65	-54.5	-168.9	-177.4	0	111.8	E481 R489	E481-K487 HydrophobicContact CB-CD 4.45Å; E481-K487 HydrophobicContact CG-CD 4.36Å; E481-K487 WeakPolarHBondContact OE1-CA 3.26Å; E481-K487 VanDerWaalsContact OE2-CD 3.22Å; E481-K487 WeakPolarHBondContact OE2-CD 3.49Å; E481-K487 IonicContact OE2-NZ 2.62Å; E481-K487 PolarHBondContact OE2-NZ 3.03Å; K487-R489 HydrophobicContact CB-CG 4.32Å
488	A	94.4	Very high	96.1	Very high	5 Å²	5	36.7 Å²	36.7	4%	0.041	18%	0.184	C	C	.	.			trans	-110.5	53.6	-177.5	0	0	0	0	0	111	L458 L480 E481 L539	L458-A488 HydrophobicContact CD2-CB 3.65Å; L480-A488 HydrophobicContact CD2-CB 4.45Å; E481-A488 HydrophobicContact CG-CB 4.44Å; E481-A488 PolarHBondContact OE1-N 3.32Å; A488-L539 HydrophobicContact CB-CB 4.33Å; A488-L539 HydrophobicContact CB-CD1 4.23Å
489	R	91.8	Very high	95.9	Very high	180 Å²	180	38.6 Å²	38.6	68%	0.679	19%	0.187	S	C	*	.			trans	-80.9	-27.2	-171.1	-69.5	-178.1	179.6	-170.9	-0.3	115.1	K487	K487-R489 HydrophobicContact CB-CG 4.32Å
490	H	93.1	Very high	95.6	Very high	84 Å²	84	35.7 Å²	35.7	39%	0.389	18%	0.177	S	C	.	.	S	Bend	trans	-115.9	22.4	-169.5	-46.4	99.5	0	0	0	113.1	L459 E461	L459-H490 HydrophobicContact CB-CB 4.2Å; L459-H490 WeakPolarHBondContact CD1-O 3.08Å; L459-H490 WeakPolarHBondContact O-CB 3.35Å; L459-H490 PolarHBondContact O-ND1 3.25Å; E461-H490 PolarHBondContact N-CE1 3.13Å; E461-H490 PolarHBondContact N-ND1 2.73Å
491	G	95.5	Very high	94.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.209	C	C	.	.			trans	93.2	165.6	-174.2	0	0	0	0	0	113.6	L459 Y536 R537	L459-G491 WeakPolarHBondContact CB-O 3.38Å; L459-G491 PolarHBondContact N-O 2.9Å; L459-G491 VanDerWaalsContact N-O 3.08Å; G491-Y536 CarbonylContact C-O 3.17Å; G491-Y536 WeakPolarHBondContact CA-O 3.24Å; G491-R537 VanDerWaalsContact CA-O 3.32Å; G491-R537 WeakPolarHBondContact CA-O 3.48Å; G491-R537 PolarHBondContact N-O 3.25Å
492	L	98	Very high	93.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	151.2	-176.6	67.1	161.2	0	0	0	112.2	V456 I457 L458 L477 L480 V494 Y535 Y536 L539	V456-L492 HydrophobicContact CG1-CD1 4.05Å; I457-L492 CarbonylContact O-C 3.36Å; I457-L492 WeakPolarHBondContact O-CA 3.32Å; I457-L492 VanDerWaalsContact O-CB 3.3Å; I457-L492 WeakPolarHBondContact O-CB 3.47Å; L458-L492 HydrophobicContact CD2-CB 3.89Å; L458-L492 HydrophobicContact CD2-CD1 4.5Å; L477-L492 HydrophobicContact CD1-CD1 3.97Å; L480-L492 HydrophobicContact CD2-CD1 4.21Å; L492-V494 HydrophobicContact CD1-CG2 3.98Å; L492-Y535 WeakPolarHBondContact O-CD2 3.38Å; L492-Y536 HydrophobicContact CG-CD2 4.35Å; L492-Y536 PolarHBondContact N-O 2.84Å; L492-Y536 PolarHBondContact O-N 3.47Å; L492-L539 HydrophobicContact CD1-CD1 3.9Å; L492-L539 HydrophobicContact CD2-CD1 4.4Å
493	F	98.6	Very high	93.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	143.3	163.2	-57.3	-92.3	0	0	0	110.1	L432 V456 I457 L459 I533 Y534 Y535 F584 L585 C588 L589	L432-F493 HydrophobicContact CD2-CE2 4.2Å; V456-F493 CarbonylContact C-O 3.29Å; V456-F493 WeakPolarHBondContact CA-O 3.41Å; I457-F493 HydrophobicContact CB-CB 4.1Å; I457-F493 HydrophobicContact CB-CD2 4.38Å; I457-F493 HydrophobicContact CG2-CD2 4.34Å; I457-F493 PolarHBondContact N-O 3.41Å; I457-F493 PolarHBondContact O-N 3.42Å; L459-F493 HydrophobicContact CD1-CE2 4.06Å; L459-F493 HydrophobicContact CD2-CE2 4.09Å; L459-F493 HydrophobicContact CG-CE2 4.32Å; F493-I533 HydrophobicContact CB-CG2 4.15Å; F493-I533 HydrophobicContact CD1-CG2 3.86Å; F493-I533 HydrophobicContact CG-CG2 4.44Å; F493-Y534 CarbonylContact C-O 3.31Å; F493-Y534 VanDerWaalsContact CA-O 3.22Å; F493-Y534 WeakPolarHBondContact CA-O 3.38Å; F493-Y535 AromaticContact CD1-CD2 3.78Å; F493-Y535 HydrophobicContact CD1-CD2 3.78Å; F493-Y535 HydrophobicContact CD1-CG 4.21Å; F493-Y535 HydrophobicContact CD2-CD2 4.4Å; F493-Y535 AromaticContact CE1-CD2 3.43Å; F493-Y535 HydrophobicContact CE1-CD2 3.43Å; F493-Y535 VanDerWaalsContact CE1-CD2 3.43Å; F493-Y535 HydrophobicContact CE1-CE2 4.32Å; F493-Y535 AromaticContact CE1-CG 3.82Å; F493-Y535 HydrophobicContact CE1-CG 3.82Å; F493-Y535 HydrophobicContact CE2-CD2 4.09Å; F493-Y535 HydrophobicContact CE2-CE2 4.36Å; F493-Y535 HydrophobicContact CG-CD2 4.26Å; F493-Y535 AromaticContact CZ-CD2 3.6Å; F493-Y535 HydrophobicContact CZ-CD2 3.6Å; F493-Y535 HydrophobicContact CZ-CE2 4.04Å; F493-Y535 HydrophobicContact CZ-CG 4.34Å; F493-F584 HydrophobicContact CD1-CE1 4.33Å; F493-F584 HydrophobicContact CE1-CE1 4.12Å; F493-L585 HydrophobicContact CD1-CD2 4.18Å; F493-L585 HydrophobicContact CE1-CD2 3.7Å; F493-L585 HydrophobicContact CE2-CD2 4.45Å; F493-L585 HydrophobicContact CZ-CD2 3.86Å; F493-C588 HydrophobicContact CE1-CB 3.88Å; F493-C588 HydrophobicContact CZ-CB 3.83Å; F493-L589 HydrophobicContact CE2-CD2 4.16Å; F493-L589 HydrophobicContact CZ-CD2 4.2Å; F493-L589 HydrophobicContact CZ-CG 4.34Å
494	V	98.7	Very high	92.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.9	173.4	-174.9	0	0	0	0	107.8	A454 V456 L477 L492 Y534 Y536 L554	A454-V494 HydrophobicContact CB-CG1 3.49Å; A454-V494 VanDerWaalsContact CB-CG1 3.49Å; V456-V494 HydrophobicContact CG2-CG1 4.49Å; V456-V494 HydrophobicContact CG2-CG2 4.49Å; L477-V494 HydrophobicContact CD1-CG2 4.04Å; L477-V494 HydrophobicContact CD2-CG2 4.02Å; L492-V494 HydrophobicContact CD1-CG2 3.98Å; V494-Y534 PolarHBondContact N-O 2.79Å; V494-Y534 PolarHBondContact O-N 3.06Å; V494-Y536 HydrophobicContact CG2-CD2 4.2Å; V494-Y536 HydrophobicContact CG2-CE2 4.03Å; V494-L554 HydrophobicContact CB-CD1 4.08Å; V494-L554 HydrophobicContact CG1-CD1 3.58Å; V494-L554 HydrophobicContact CG1-CD2 4.47Å
495	I	98.6	Very high	92.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.4	-175.6	-56	161.9	0	0	0	108.2	I436 V440 A454 D455 I457 Y468 I533	I436-I495 HydrophobicContact CB-CD1 4.4Å; I436-I495 HydrophobicContact CD1-CD1 4.21Å; I436-I495 HydrophobicContact CG1-CD1 3.81Å; I436-I495 HydrophobicContact CG2-CD1 4.09Å; V440-I495 HydrophobicContact CG1-CG2 3.81Å; A454-I495 VanDerWaalsContact CA-O 3.25Å; A454-I495 WeakPolarHBondContact CA-O 3.38Å; A454-I495 WeakPolarHBondContact CB-O 3.39Å; D455-I495 HydrophobicContact CB-CB 4.41Å; D455-I495 PolarHBondContact N-O 3.26Å; D455-I495 PolarHBondContact O-N 3.32Å; I457-I495 HydrophobicContact CD1-CD1 3.8Å; I457-I495 HydrophobicContact CG1-CD1 4.26Å; Y468-I495 HydrophobicContact CE2-CD1 4.16Å; I495-I533 HydrophobicContact CG1-CG1 4.17Å; I495-I533 HydrophobicContact CG1-CG2 4.39Å; I495-I533 HydrophobicContact CG2-CG1 4.49Å
496	N	96.4	Very high	91.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	155	-179.4	-176.4	35.3	0	0	0	110.3	G451 E498 P531 V532	G451-N496 WeakPolarHBondContact CA-OD1 3.45Å; G451-N496 PolarHBondContact N-OD1 3.32Å; N496-E498 VanDerWaalsContact ND2-CD 3.34Å; N496-E498 WeakPolarHBondContact ND2-CG 3.45Å; N496-E498 PolarHBondContact ND2-OE1 2.7Å; N496-P531 WeakPolarHBondContact O-CA 3.41Å; N496-V532 PolarHBondContact N-O 3.16Å; N496-V532 PolarHBondContact O-N 3Å
497	M	96.8	Very high	91.2	Very high	2 Å²	2	46 Å²	46	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	135.8	167.6	-63.4	-67.2	-80.6	0	0	108.9	L446 Y447 F450 G451 L529 H530 P531 W571	L446-M497 HydrophobicContact CB-CG 4.17Å; Y447-M497 HydrophobicContact CD2-CE 4.13Å; F450-M497 HydrophobicContact CB-CB 3.88Å; F450-M497 WeakPolarHBondContact CB-O 3.21Å; G451-M497 PolarHBondContact N-O 2.76Å; M497-L529 HydrophobicContact CB-CD1 3.87Å; M497-L529 HydrophobicContact CB-CD2 4.43Å; M497-L529 HydrophobicContact CB-CG 4.12Å; M497-L529 HydrophobicContact CE-CD2 4.03Å; M497-L529 HydrophobicContact CE-CG 3.91Å; M497-H530 WeakPolarHBondContact CA-O 3.46Å; M497-P531 HydrophobicContact CE-CG 4.46Å; M497-P531 HydrophobicContact SD-CB 4.02Å; M497-P531 HydrophobicContact SD-CG 3.84Å; M497-W571 HydrophobicContact CE-CH2 3.39Å; M497-W571 HydrophobicContact CE-CZ2 4.03Å; M497-W571 HydrophobicContact CE-CZ3 3.93Å
498	E	95.3	Very high	90.8	Very high	29 Å²	29	45 Å²	45	14%	0.136	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148.2	-174.6	-60.5	-172.1	-157.3	0	0	112.2	N496 L529 H530 V532 Y534 P553	N496-E498 VanDerWaalsContact ND2-CD 3.34Å; N496-E498 WeakPolarHBondContact ND2-CG 3.45Å; N496-E498 PolarHBondContact ND2-OE1 2.7Å; E498-L529 WeakPolarHBondContact O-CA 3.16Å; E498-H530 PolarHBondContact N-O 3.01Å; E498-H530 PolarHBondContact O-CE1 3.19Å; E498-H530 PolarHBondContact O-N 3.29Å; E498-H530 PolarHBondContact O-ND1 2.99Å; E498-H530 VanDerWaalsContact O-ND1 3.09Å; E498-V532 HydrophobicContact CB-CG2 3.84Å; E498-V532 HydrophobicContact CG-CB 4.37Å; E498-V532 HydrophobicContact CG-CG2 3.88Å; E498-Y534 VanDerWaalsContact OE1-CE2 3.28Å; E498-Y534 WeakPolarHBondContact OE1-CE2 3.34Å; E498-Y534 PolarHBondContact OE1-OH 3.27Å; E498-Y534 PolarHBondContact OE2-OH 2.91Å; E498-P553 HydrophobicContact CG-CG 4.47Å; E498-P553 WeakPolarHBondContact OE1-CG 3.38Å
499	Y	92.6	Very high	90.4	Very high	63 Å²	63	49.4 Å²	49.4	25%	0.247	24%	0.235	C	C	.	.			trans	-97.8	153.9	165.7	-74.8	-75.8	0	0	0	109.3	H254 F450 F503 L529	H254-Y499 HydrophobicContact CB-CE2 4.27Å; F450-Y499 HydrophobicContact CD1-CE2 4.28Å; F450-Y499 AromaticContact CD2-CD2 3.94Å; F450-Y499 HydrophobicContact CD2-CD2 3.94Å; F450-Y499 HydrophobicContact CD2-CE2 4.1Å; F450-Y499 AromaticContact CE1-CE2 3.96Å; F450-Y499 HydrophobicContact CE1-CE2 3.96Å; F450-Y499 AromaticContact CE2-CD2 3.64Å; F450-Y499 HydrophobicContact CE2-CD2 3.64Å; F450-Y499 AromaticContact CE2-CE2 3.77Å; F450-Y499 HydrophobicContact CE2-CE2 3.77Å; F450-Y499 HydrophobicContact CG-CE2 4.36Å; F450-Y499 HydrophobicContact CZ-CD2 4.04Å; F450-Y499 AromaticContact CZ-CE2 3.69Å; F450-Y499 HydrophobicContact CZ-CE2 3.69Å; Y499-F503 AromaticContact CD1-CD1 3.5Å; Y499-F503 HydrophobicContact CD1-CD1 3.5Å; Y499-F503 AromaticContact CD1-CE1 3.48Å; Y499-F503 HydrophobicContact CD1-CE1 3.48Å; Y499-F503 VanDerWaalsContact CD1-CE1 3.48Å; Y499-F503 HydrophobicContact CE1-CD1 4.21Å; Y499-F503 AromaticContact CE1-CE1 3.74Å; Y499-F503 HydrophobicContact CE1-CE1 3.74Å; Y499-F503 HydrophobicContact CG-CD1 4.2Å; Y499-L529 HydrophobicContact CD1-CB 4.12Å; Y499-L529 HydrophobicContact CD2-CD1 3.86Å; Y499-L529 HydrophobicContact CE1-CB 3.64Å; Y499-L529 HydrophobicContact CE1-CD1 4.42Å; Y499-L529 HydrophobicContact CE2-CB 4.36Å; Y499-L529 HydrophobicContact CE2-CD1 3.69Å; Y499-L529 HydrophobicContact CG-CD1 4.29Å
500	G	89.3	Confident	90.2	Very high	13 Å²	13	41.1 Å²	41.1	13%	0.134	21%	0.205	C	C	.	.			trans	-57.5	141.8	171.3	0	0	0	0	0	112.1	N502 F503 S526 N527	G500-N502 PolarHBondContact O-N 3.27Å; G500-N502 VanDerWaalsContact O-N 3.09Å; G500-F503 VanDerWaalsContact O-CB 3.24Å; G500-F503 WeakPolarHBondContact O-CB 3.17Å; G500-F503 PolarHBondContact O-N 2.81Å; G500-F503 VanDerWaalsContact O-N 3.1Å; G500-S526 WeakPolarHBondContact CA-O 3.38Å; G500-S526 PolarHBondContact N-O 3.01Å; G500-N527 PolarHBondContact N-O 3.08Å
501	R	77.9	Confident	89.9	Confident	180 Å²	180	44.8 Å²	44.8	68%	0.679	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-34.6	-170.2	-176.6	177.4	175.5	-160.2	-3.9	114.5	H551	R501-H551 VanDerWaalsContact CZ-CD2 3.46Å; R501-H551 PolarHBondContact NH2-CD2 2.7Å; R501-H551 PolarHBondContact NH2-NE2 2.58Å
502	N	77.6	Confident	89.5	Confident	115 Å²	115	49 Å²	49	62%	0.615	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.8	7.8	-177.2	-66.9	-28.8	0	0	0	113.1	G500 S504	G500-N502 PolarHBondContact O-N 3.27Å; G500-N502 VanDerWaalsContact O-N 3.09Å; N502-S504 PolarHBondContact O-N 2.96Å
503	F	81.8	Confident	89.1	Confident	3 Å²	3	56.1 Å²	56.1	1%	0.013	28%	0.276	C	S	.	.	S	Bend	trans	-67.5	-23.6	-174.2	172.9	-114.1	0	0	0	113.7	H254 Y499 G500 R515 N527 F528	H254-F503 AromaticContact CE1-CD1 3.43Å; H254-F503 VanDerWaalsContact CE1-CD1 3.43Å; H254-F503 WeakPolarHBondContact CE1-CD1 3.46Å; H254-F503 AromaticContact CE1-CE1 3.03Å; H254-F503 WeakPolarHBondContact CE1-CE1 3.39Å; H254-F503 AromaticContact CE1-CZ 3.94Å; H254-F503 AromaticContact ND1-CD1 4Å; H254-F503 AromaticContact ND1-CE1 3.9Å; H254-F503 AromaticContact NE2-CE1 3.61Å; Y499-F503 AromaticContact CD1-CD1 3.5Å; Y499-F503 HydrophobicContact CD1-CD1 3.5Å; Y499-F503 AromaticContact CD1-CE1 3.48Å; Y499-F503 HydrophobicContact CD1-CE1 3.48Å; Y499-F503 VanDerWaalsContact CD1-CE1 3.48Å; Y499-F503 HydrophobicContact CE1-CD1 4.21Å; Y499-F503 AromaticContact CE1-CE1 3.74Å; Y499-F503 HydrophobicContact CE1-CE1 3.74Å; Y499-F503 HydrophobicContact CG-CD1 4.2Å; G500-F503 VanDerWaalsContact O-CB 3.24Å; G500-F503 WeakPolarHBondContact O-CB 3.17Å; G500-F503 PolarHBondContact O-N 2.81Å; G500-F503 VanDerWaalsContact O-N 3.1Å; F503-R515 HydrophobicContact CD2-CG 4.09Å; F503-R515 HydrophobicContact CE2-CG 3.8Å; F503-R515 PolarHBondContact O-NH2 3.15Å; F503-N527 HydrophobicContact CB-CB 4.25Å; F503-N527 WeakPolarHBondContact CB-O 3.46Å; F503-N527 WeakPolarHBondContact CD1-O 3.32Å; F503-N527 HydrophobicContact CD2-CB 3.33Å; F503-N527 HydrophobicContact CE2-CB 3.82Å; F503-N527 HydrophobicContact CG-CB 3.98Å; F503-N527 WeakPolarHBondContact CG-O 3.3Å; F503-F528 HydrophobicContact CE1-CD1 4.04Å; F503-F528 AromaticContact CE2-CD1 3.57Å; F503-F528 HydrophobicContact CE2-CD1 3.57Å; F503-F528 AromaticContact CE2-CE1 3.55Å; F503-F528 HydrophobicContact CE2-CE1 3.55Å; F503-F528 HydrophobicContact CE2-CG 4.37Å; F503-F528 HydrophobicContact CE2-CZ 4.36Å; F503-F528 AromaticContact CZ-CD1 3.14Å; F503-F528 HydrophobicContact CZ-CD1 3.14Å; F503-F528 AromaticContact CZ-CE1 3.37Å; F503-F528 HydrophobicContact CZ-CE1 3.37Å; F503-F528 HydrophobicContact CZ-CG 4.16Å
504	S	86.6	Confident	88.4	Confident	36 Å²	36	63.3 Å²	63.3	25%	0.252	31%	0.314	S	S	.	.	S	Bend	trans	-146.4	151.1	-171.9	69.9	0	0	0	0	112.1	A252 H254 N502	A252-S504 CarbonylContact O-C 3.54Å; A252-S504 WeakPolarHBondContact O-CA 3.27Å; A252-S504 VanDerWaalsContact O-CB 3.27Å; A252-S504 WeakPolarHBondContact O-CB 3.39Å; H254-S504 WeakPolarHBondContact CE1-CB 3.09Å; H254-S504 WeakPolarHBondContact ND1-CB 3.11Å; H254-S504 PolarHBondContact ND1-OG 3.22Å; N502-S504 PolarHBondContact O-N 2.96Å
505	G	86.9	Confident	87.8	Confident	10 Å²	10	64.9 Å²	64.9	10%	0.103	32%	0.32	C	S	.	.			trans	162.9	175.7	175.5	0	0	0	0	0	114.4	A252 D507	A252-G505 PolarHBondContact O-N 3.38Å; G505-D507 PolarHBondContact O-N 2.88Å
506	P	85.3	Confident	87.4	Confident	36 Å²	36	67.2 Å²	67.2	23%	0.234	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-11	-64.3	166.9	49.5	-40.4	0	0	0	118.8	R246 R248 T253	R246-P506 PolarHBondContact NE-O 2.9Å; R246-P506 PolarHBondContact NH2-O 3.43Å; R248-P506 HydrophobicContact CG-CB 3.97Å; R248-P506 VanDerWaalsContact CZ-CG 3.5Å; R248-P506 VanDerWaalsContact NH1-CG 3.29Å; T253-P506 HydrophobicContact CG2-CB 4.03Å; T253-P506 HydrophobicContact CG2-CG 4.5Å
507	D	86.1	Confident	87.2	Confident	98 Å²	98	68.2 Å²	68.2	52%	0.524	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143	4.2	-136.3	61.5	-43.8	0	0	0	109.7	R246 G505	R246-D507 VanDerWaalsContact NH1-CA 3.31Å; G505-D507 PolarHBondContact O-N 2.88Å
508	K	85.6	Confident	86.8	Confident	89 Å²	89	71.1 Å²	71.1	39%	0.387	37%	0.373	S	S	.	.			trans	-85.1	133.2	174.7	-58.8	-53.9	-176	-173.2	0	108.5	V510	K508-V510 HydrophobicContact CB-CG1 4.44Å; K508-V510 PolarHBondContact O-N 2.82Å
509	D	85.3	Confident	86.6	Confident	98 Å²	98	75.5 Å²	75.5	52%	0.524	39%	0.394	S	S	.	.			trans	-64.1	129.9	156.6	-172.3	-1.8	0	0	0	107.2	F511 F512	D509-F511 PolarHBondContact OD1-N 3.21Å; D509-F512 HydrophobicContact CB-CD1 4.44Å; D509-F512 WeakPolarHBondContact O-CD1 3.25Å; D509-F512 WeakPolarHBondContact O-CE1 3.35Å
510	V	87.9	Confident	86.6	Confident	7 Å²	7	75.3 Å²	75.3	4%	0.042	40%	0.399	C	S	.	.	S	Bend	trans	-114	8.2	178.5	-65.8	0	0	0	0	111.8	A252 K508 R515	A252-V510 HydrophobicContact CB-CG1 4.13Å; A252-V510 HydrophobicContact CB-CG2 4.13Å; K508-V510 HydrophobicContact CB-CG1 4.44Å; K508-V510 PolarHBondContact O-N 2.82Å; V510-R515 VanDerWaalsContact O-CZ 3.27Å; V510-R515 PolarHBondContact O-NH1 3.34Å
511	F	87.7	Confident	86.8	Confident	160 Å²	160	80.6 Å²	80.6	70%	0.702	42%	0.42	S	S	*	.	S	Bend	trans	-122.3	15.2	177.1	-57.7	-68.4	0	0	0	112.5	W251 D509	W251-F511 AromaticContact CD1-CE2 3.98Å; W251-F511 AromaticContact CD1-CZ 3.81Å; W251-F511 AromaticContact NE1-CE2 3.76Å; W251-F511 AromaticContact NE1-CZ 3.91Å; D509-F511 PolarHBondContact OD1-N 3.21Å
512	F	87.2	Confident	87.6	Confident	88 Å²	88	74.7 Å²	74.7	39%	0.386	40%	0.402	S	S	.	.			trans	-68.2	156	173.7	70.5	-82.9	0	0	0	112.2	D509 R515	D509-F512 HydrophobicContact CB-CD1 4.44Å; D509-F512 WeakPolarHBondContact O-CD1 3.25Å; D509-F512 WeakPolarHBondContact O-CE1 3.35Å; F512-R515 HydrophobicContact CE1-CB 4.46Å; F512-R515 HydrophobicContact CE1-CG 3.82Å; F512-R515 HydrophobicContact CE2-CB 4.12Å; F512-R515 HydrophobicContact CE2-CG 4.18Å; F512-R515 HydrophobicContact CZ-CB 4.06Å; F512-R515 HydrophobicContact CZ-CG 3.6Å
513	D	87.9	Confident	88.4	Confident	150 Å²	150	69.5 Å²	69.5	80%	0.802	38%	0.375	S	S	*	.	S	Bend	trans	-66.5	158.4	179.4	-61.7	-49.8	0	0	0	112.8	R515	D513-R515 VanDerWaalsContact C-N 3.29Å; D513-R515 PolarHBondContact O-N 3.35Å
514	D	85.1	Confident	89	Confident	151 Å²	151	77.3 Å²	77.3	81%	0.807	40%	0.404	S	S	*	.	S	Bend	trans	57.2	37	175.1	-159.6	28.1	0	0	0	114.9	S516	D514-S516 VanDerWaalsContact C-N 3.34Å
515	R	86.6	Confident	89.3	Confident	34 Å²	34	80 Å²	80	13%	0.128	41%	0.413	C	S	.	.			trans	-79.7	-17.6	-177.8	-164.4	171.2	179.2	-132.5	-4.2	113.3	F503 V510 F512 D513 N527	F503-R515 HydrophobicContact CD2-CG 4.09Å; F503-R515 HydrophobicContact CE2-CG 3.8Å; F503-R515 PolarHBondContact O-NH2 3.15Å; V510-R515 VanDerWaalsContact O-CZ 3.27Å; V510-R515 PolarHBondContact O-NH1 3.34Å; F512-R515 HydrophobicContact CE1-CB 4.46Å; F512-R515 HydrophobicContact CE1-CG 3.82Å; F512-R515 HydrophobicContact CE2-CB 4.12Å; F512-R515 HydrophobicContact CE2-CG 4.18Å; F512-R515 HydrophobicContact CZ-CB 4.06Å; F512-R515 HydrophobicContact CZ-CG 3.6Å; D513-R515 VanDerWaalsContact C-N 3.29Å; D513-R515 PolarHBondContact O-N 3.35Å; R515-N527 VanDerWaalsContact O-CB 3.24Å; R515-N527 WeakPolarHBondContact O-CB 3.48Å; R515-N527 PolarHBondContact O-ND2 2.89Å
516	S	89.9	Confident	89.6	Confident	49 Å²	49	79.5 Å²	79.5	34%	0.343	41%	0.408	S	S	.	.			trans	-100.9	138.1	-175.7	63.9	0	0	0	0	112.7	D514 E565	D514-S516 VanDerWaalsContact C-N 3.34Å; S516-E565 WeakPolarHBondContact CA-OE1 3.37Å
517	V	91.3	Very high	89.9	Confident	22 Å²	22	79.2 Å²	79.2	13%	0.133	41%	0.405	C	S	.	.			trans	-101.1	116.6	172.2	-179.1	0	0	0	0	109.4	D522 Q525 V564 E565	V517-D522 HydrophobicContact CG1-CB 3.82Å; V517-D522 WeakPolarHBondContact CG1-O 3.33Å; V517-Q525 HydrophobicContact CG2-CB 4.24Å; V517-Q525 WeakPolarHBondContact CG2-O 3.41Å; V517-V564 HydrophobicContact CG1-CG2 4.15Å; V517-V564 WeakPolarHBondContact O-CG2 3.31Å; V517-E565 HydrophobicContact CB-CG 4.39Å; V517-E565 PolarHBondContact N-OE1 3.39Å; V517-E565 WeakPolarHBondContact O-CG 3.39Å
518	G	88.4	Confident	90.3	Very high	63 Å²	63	76.9 Å²	76.9	65%	0.649	39%	0.39	S	S	*	.			trans	-103.6	-18.7	176.9	0	0	0	0	0	114.7
519	H	91.5	Very high	90.7	Very high	121 Å²	121	73.1 Å²	73.1	56%	0.56	37%	0.374	S	S	*	.			trans	-87	133.4	-175	-70.6	-70.8	0	0	0	111.8	E521 D522 A523	H519-E521 VanDerWaalsContact C-N 3.33Å; H519-E521 HydrophobicContact CB-CG 4.19Å; H519-E521 IonicContact ND1-OE1 3.7Å; H519-E521 PolarHBondContact O-N 3.02Å; H519-D522 HydrophobicContact CB-CB 4.47Å; H519-D522 PolarHBondContact O-N 2.89Å; H519-A523 PolarHBondContact O-N 3.25Å
520	T	93.1	Very high	91.2	Very high	59 Å²	59	68.6 Å²	68.6	36%	0.362	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-66.1	-34.2	-175.8	49.3	0	0	0	0	113.7	D522 A523 V564 G576 P580	T520-D522 PolarHBondContact O-N 2.91Å; T520-A523 VanDerWaalsContact O-CB 3.29Å; T520-A523 WeakPolarHBondContact O-CB 3.44Å; T520-A523 PolarHBondContact O-N 2.89Å; T520-V564 HydrophobicContact CG2-CG1 4.33Å; T520-G576 VanDerWaalsContact CG2-O 3.24Å; T520-G576 WeakPolarHBondContact CG2-O 3.15Å; T520-P580 HydrophobicContact CG2-CG 4.28Å
521	E	93.4	Very high	91.7	Very high	124 Å²	124	68.3 Å²	68.3	58%	0.579	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-64.9	-26.6	176.9	54.9	-91.5	-139.8	0	0	112.2	H519 W524	H519-E521 VanDerWaalsContact C-N 3.33Å; H519-E521 HydrophobicContact CB-CG 4.19Å; H519-E521 IonicContact ND1-OE1 3.7Å; H519-E521 PolarHBondContact O-N 3.02Å; E521-W524 PolarHBondContact O-NE1 2.95Å
522	D	94.8	Very high	92.2	Very high	56 Å²	56	60.7 Å²	60.7	30%	0.299	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-101.7	9.6	179.8	-67.4	-47	0	0	0	112.9	V517 H519 T520 W524 Q525	V517-D522 HydrophobicContact CG1-CB 3.82Å; V517-D522 WeakPolarHBondContact CG1-O 3.33Å; H519-D522 HydrophobicContact CB-CB 4.47Å; H519-D522 PolarHBondContact O-N 2.89Å; T520-D522 PolarHBondContact O-N 2.91Å; D522-W524 PolarHBondContact O-N 3.27Å; D522-Q525 WeakPolarHBondContact O-CA 3.28Å; D522-Q525 VanDerWaalsContact O-CB 3.29Å; D522-Q525 WeakPolarHBondContact O-CB 3.21Å; D522-Q525 PolarHBondContact O-N 2.96Å; D522-Q525 PolarHBondContact OD1-NE2 2.81Å; D522-Q525 VanDerWaalsContact OD1-NE2 3.08Å
523	A	95.1	Very high	92.8	Very high	5 Å²	5	56.5 Å²	56.5	4%	0.041	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-53.2	-29	-176.4	0	0	0	0	0	114	H519 T520 Q525 S526 H562 V564	H519-A523 PolarHBondContact O-N 3.25Å; T520-A523 VanDerWaalsContact O-CB 3.29Å; T520-A523 WeakPolarHBondContact O-CB 3.44Å; T520-A523 PolarHBondContact O-N 2.89Å; A523-Q525 PolarHBondContact O-N 3.1Å; A523-S526 WeakPolarHBondContact O-CB 3.29Å; A523-S526 PolarHBondContact O-N 2.84Å; A523-S526 PolarHBondContact O-OG 2.9Å; A523-H562 HydrophobicContact CB-CB 3.97Å; A523-H562 VanDerWaalsContact CB-O 3.27Å; A523-H562 WeakPolarHBondContact CB-O 3.33Å; A523-H562 WeakPolarHBondContact O-CB 3.47Å; A523-V564 HydrophobicContact CB-CB 3.86Å; A523-V564 HydrophobicContact CB-CG2 4.48Å
524	W	93.2	Very high	93.3	Very high	167 Å²	167	49.5 Å²	49.5	63%	0.633	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-67.7	-15.3	175.4	64.6	-84	0	0	0	114.2	E521 D522	E521-W524 PolarHBondContact O-NE1 2.95Å; D522-W524 PolarHBondContact O-N 3.27Å
525	Q	93.3	Very high	93.9	Very high	92 Å²	92	43.4 Å²	43.4	43%	0.43	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-93.3	0.5	173	-51.2	-171.5	43.4	0	0	112.6	V517 D522 A523 N527	V517-Q525 HydrophobicContact CG2-CB 4.24Å; V517-Q525 WeakPolarHBondContact CG2-O 3.41Å; D522-Q525 WeakPolarHBondContact O-CA 3.28Å; D522-Q525 VanDerWaalsContact O-CB 3.29Å; D522-Q525 WeakPolarHBondContact O-CB 3.21Å; D522-Q525 PolarHBondContact O-N 2.96Å; D522-Q525 PolarHBondContact OD1-NE2 2.81Å; D522-Q525 VanDerWaalsContact OD1-NE2 3.08Å; A523-Q525 PolarHBondContact O-N 3.1Å; Q525-N527 PolarHBondContact O-N 3.07Å
526	S	93.9	Very high	94.5	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.007	22%	0.22	C	C	.	.			trans	-52.8	135.5	-179.6	-62.8	0	0	0	0	111.3	G500 A523 H530 E565	G500-S526 WeakPolarHBondContact CA-O 3.38Å; G500-S526 PolarHBondContact N-O 3.01Å; A523-S526 WeakPolarHBondContact O-CB 3.29Å; A523-S526 PolarHBondContact O-N 2.84Å; A523-S526 PolarHBondContact O-OG 2.9Å; S526-H530 VanDerWaalsContact CB-CE1 3.46Å; S526-H530 WeakPolarHBondContact CB-CE1 3.46Å; S526-H530 WeakPolarHBondContact CB-ND1 3.27Å; S526-H530 PolarHBondContact O-CE1 3.26Å; S526-E565 WeakPolarHBondContact CA-OE2 3.44Å; S526-E565 WeakPolarHBondContact CB-OE2 3.22Å; S526-E565 PolarHBondContact OG-N 2.99Å
527	N	91.4	Very high	94.8	Very high	30 Å²	30	47 Å²	47	16%	0.16	23%	0.231	C	C	.	.			trans	-101.9	-53	-169.3	-96.6	-26.7	0	0	0	110.9	G500 F503 R515 Q525 E565	G500-N527 PolarHBondContact N-O 3.08Å; F503-N527 HydrophobicContact CB-CB 4.25Å; F503-N527 WeakPolarHBondContact CB-O 3.46Å; F503-N527 WeakPolarHBondContact CD1-O 3.32Å; F503-N527 HydrophobicContact CD2-CB 3.33Å; F503-N527 HydrophobicContact CE2-CB 3.82Å; F503-N527 HydrophobicContact CG-CB 3.98Å; F503-N527 WeakPolarHBondContact CG-O 3.3Å; R515-N527 VanDerWaalsContact O-CB 3.24Å; R515-N527 WeakPolarHBondContact O-CB 3.48Å; R515-N527 PolarHBondContact O-ND2 2.89Å; Q525-N527 PolarHBondContact O-N 3.07Å; N527-E565 WeakPolarHBondContact CA-OE2 3.48Å; N527-E565 PolarHBondContact N-OE2 3.02Å
528	F	92.8	Very high	95	Very high	48 Å²	48	54.6 Å²	54.6	21%	0.211	26%	0.258	C	S	.	.	S	Bend	trans	-63.8	167.4	172.4	-61.1	-55.1	0	0	0	112	F503 H530 E565 F567	F503-F528 HydrophobicContact CE1-CD1 4.04Å; F503-F528 AromaticContact CE2-CD1 3.57Å; F503-F528 HydrophobicContact CE2-CD1 3.57Å; F503-F528 AromaticContact CE2-CE1 3.55Å; F503-F528 HydrophobicContact CE2-CE1 3.55Å; F503-F528 HydrophobicContact CE2-CG 4.37Å; F503-F528 HydrophobicContact CE2-CZ 4.36Å; F503-F528 AromaticContact CZ-CD1 3.14Å; F503-F528 HydrophobicContact CZ-CD1 3.14Å; F503-F528 AromaticContact CZ-CE1 3.37Å; F503-F528 HydrophobicContact CZ-CE1 3.37Å; F503-F528 HydrophobicContact CZ-CG 4.16Å; F528-H530 PolarHBondContact O-N 3.13Å; F528-H530 VanDerWaalsContact O-N 3.15Å; F528-H530 PolarHBondContact O-ND1 3.36Å; F528-E565 HydrophobicContact CB-CB 4.07Å; F528-E565 WeakPolarHBondContact CB-OE2 3.35Å; F528-E565 VanDerWaalsContact CD2-CD 3.44Å; F528-E565 HydrophobicContact CD2-CG 4.27Å; F528-E565 WeakPolarHBondContact CD2-OE1 3.34Å; F528-E565 PolarHBondContact N-OE2 3.18Å; F528-F567 HydrophobicContact CD2-CE1 4.31Å; F528-F567 HydrophobicContact CD2-CZ 4.33Å; F528-F567 HydrophobicContact CE2-CD1 4.3Å; F528-F567 AromaticContact CE2-CE1 3.5Å; F528-F567 HydrophobicContact CE2-CE1 3.5Å; F528-F567 VanDerWaalsContact CE2-CE1 3.5Å; F528-F567 HydrophobicContact CE2-CE2 4.06Å; F528-F567 AromaticContact CE2-CZ 3.36Å; F528-F567 HydrophobicContact CE2-CZ 3.36Å; F528-F567 AromaticContact CZ-CE1 3.69Å; F528-F567 HydrophobicContact CZ-CE1 3.69Å; F528-F567 AromaticContact CZ-CZ 3.82Å; F528-F567 HydrophobicContact CZ-CZ 3.82Å
529	L	94.8	Very high	95.4	Very high	10 Å²	10	53.4 Å²	53.4	5%	0.052	24%	0.237	C	C	.	.	S	Bend	trans	-63.1	117.2	179	-169.6	71.4	0	0	0	109.7	Y447 F450 M497 E498 Y499	Y447-L529 HydrophobicContact CD1-CD2 4.25Å; Y447-L529 HydrophobicContact CD2-CD2 3.83Å; Y447-L529 HydrophobicContact CE1-CD2 4.14Å; Y447-L529 HydrophobicContact CE2-CD2 3.73Å; Y447-L529 HydrophobicContact CG-CD2 4.09Å; F450-L529 HydrophobicContact CB-CD1 3.71Å; F450-L529 HydrophobicContact CD1-CD1 4.44Å; F450-L529 HydrophobicContact CD2-CD1 4.34Å; F450-L529 HydrophobicContact CG-CD1 3.93Å; M497-L529 HydrophobicContact CB-CD1 3.87Å; M497-L529 HydrophobicContact CB-CD2 4.43Å; M497-L529 HydrophobicContact CB-CG 4.12Å; M497-L529 HydrophobicContact CE-CD2 4.03Å; M497-L529 HydrophobicContact CE-CG 3.91Å; E498-L529 WeakPolarHBondContact O-CA 3.16Å; Y499-L529 HydrophobicContact CD1-CB 4.12Å; Y499-L529 HydrophobicContact CD2-CD1 3.86Å; Y499-L529 HydrophobicContact CE1-CB 3.64Å; Y499-L529 HydrophobicContact CE1-CD1 4.42Å; Y499-L529 HydrophobicContact CE2-CB 4.36Å; Y499-L529 HydrophobicContact CE2-CD1 3.69Å; Y499-L529 HydrophobicContact CG-CD1 4.29Å
530	H	96.9	Very high	95.7	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.019	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	157.7	-177.3	64.4	-77.8	0	0	0	112	M497 E498 S526 F528 H562 I563 E565	M497-H530 WeakPolarHBondContact CA-O 3.46Å; E498-H530 PolarHBondContact N-O 3.01Å; E498-H530 PolarHBondContact O-CE1 3.19Å; E498-H530 PolarHBondContact O-N 3.29Å; E498-H530 PolarHBondContact O-ND1 2.99Å; E498-H530 VanDerWaalsContact O-ND1 3.09Å; S526-H530 VanDerWaalsContact CB-CE1 3.46Å; S526-H530 WeakPolarHBondContact CB-CE1 3.46Å; S526-H530 WeakPolarHBondContact CB-ND1 3.27Å; S526-H530 PolarHBondContact O-CE1 3.26Å; F528-H530 PolarHBondContact O-N 3.13Å; F528-H530 VanDerWaalsContact O-N 3.15Å; F528-H530 PolarHBondContact O-ND1 3.36Å; H530-H562 AromaticContact CD2-ND1 3.75Å; H530-H562 AromaticContact NE2-CE1 3.89Å; H530-H562 AromaticContact NE2-CG 3.96Å; H530-H562 AromaticContact NE2-ND1 2.97Å; H530-H562 PolarHBondContact NE2-ND1 3.06Å; H530-I563 PolarHBondContact CD2-O 3.14Å; H530-E565 HydrophobicContact CB-CB 4.16Å
531	P	97.9	Very high	95.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	135.1	176.6	-13.1	27.8	0	0	0	112.4	V440 N496 M497 I563 W571	V440-P531 HydrophobicContact CB-CB 4.19Å; V440-P531 HydrophobicContact CB-CG 3.82Å; V440-P531 HydrophobicContact CG1-CB 3.81Å; V440-P531 HydrophobicContact CG1-CG 4.03Å; V440-P531 HydrophobicContact CG2-CG 4.2Å; N496-P531 WeakPolarHBondContact O-CA 3.41Å; M497-P531 HydrophobicContact CE-CG 4.46Å; M497-P531 HydrophobicContact SD-CB 4.02Å; M497-P531 HydrophobicContact SD-CG 3.84Å; P531-I563 HydrophobicContact CB-CB 4.32Å; P531-I563 HydrophobicContact CB-CD1 4.07Å; P531-I563 HydrophobicContact CB-CG1 4.35Å; P531-I563 HydrophobicContact CG-CB 4.26Å; P531-I563 HydrophobicContact CG-CD1 4.26Å; P531-I563 PolarHBondContact O-N 3.25Å; P531-W571 VanDerWaalsContact CD-CE2 3.42Å; P531-W571 HydrophobicContact CG-CD2 3.78Å; P531-W571 HydrophobicContact CG-CE3 4.16Å; P531-W571 HydrophobicContact CG-CG 4.1Å; P531-W571 HydrophobicContact CG-CZ2 4.3Å
532	V	98.2	Very high	95.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.4	173.5	-170.2	0	0	0	0	108.9	N496 E498 Y534 I560 H561 H562	N496-V532 PolarHBondContact N-O 3.16Å; N496-V532 PolarHBondContact O-N 3Å; E498-V532 HydrophobicContact CB-CG2 3.84Å; E498-V532 HydrophobicContact CG-CB 4.37Å; E498-V532 HydrophobicContact CG-CG2 3.88Å; V532-Y534 HydrophobicContact CB-CE2 3.96Å; V532-Y534 HydrophobicContact CG1-CD2 4.13Å; V532-Y534 HydrophobicContact CG1-CE2 3.46Å; V532-Y534 VanDerWaalsContact CG1-CE2 3.46Å; V532-I560 HydrophobicContact CG1-CD1 3.79Å; V532-I560 HydrophobicContact CG1-CG1 3.81Å; V532-H561 WeakPolarHBondContact CA-O 3.48Å; V532-H562 WeakPolarHBondContact CG2-ND1 3.32Å
533	I	98.6	Very high	95.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.5	-179.3	-55.3	100.5	0	0	0	109.6	F493 I495 I560 H561 I563 L581 F584	F493-I533 HydrophobicContact CB-CG2 4.15Å; F493-I533 HydrophobicContact CD1-CG2 3.86Å; F493-I533 HydrophobicContact CG-CG2 4.44Å; I495-I533 HydrophobicContact CG1-CG1 4.17Å; I495-I533 HydrophobicContact CG1-CG2 4.39Å; I495-I533 HydrophobicContact CG2-CG1 4.49Å; I533-I560 WeakPolarHBondContact O-CA 3.12Å; I533-H561 PolarHBondContact N-O 2.92Å; I533-H561 PolarHBondContact O-N 3.18Å; I533-I563 HydrophobicContact CD1-CD1 3.85Å; I533-I563 HydrophobicContact CD1-CG1 3.79Å; I533-L581 HydrophobicContact CD1-CD1 3.83Å; I533-L581 HydrophobicContact CG1-CD1 4.49Å; I533-F584 HydrophobicContact CB-CE1 4.14Å; I533-F584 HydrophobicContact CG2-CE1 3.84Å
534	Y	98.6	Very high	96	Very high	3 Å²	3	57 Å²	57	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.8	176.4	-66.2	-105.3	0	0	0	109.5	F493 V494 E498 V532 W552 L554 P557 I560	F493-Y534 CarbonylContact C-O 3.31Å; F493-Y534 VanDerWaalsContact CA-O 3.22Å; F493-Y534 WeakPolarHBondContact CA-O 3.38Å; V494-Y534 PolarHBondContact N-O 2.79Å; V494-Y534 PolarHBondContact O-N 3.06Å; E498-Y534 VanDerWaalsContact OE1-CE2 3.28Å; E498-Y534 WeakPolarHBondContact OE1-CE2 3.34Å; E498-Y534 PolarHBondContact OE1-OH 3.27Å; E498-Y534 PolarHBondContact OE2-OH 2.91Å; V532-Y534 HydrophobicContact CB-CE2 3.96Å; V532-Y534 HydrophobicContact CG1-CD2 4.13Å; V532-Y534 HydrophobicContact CG1-CE2 3.46Å; V532-Y534 VanDerWaalsContact CG1-CE2 3.46Å; Y534-W552 HydrophobicContact CE1-CE3 4.05Å; Y534-W552 AromaticContact CE1-CZ3 4Å; Y534-W552 HydrophobicContact CE1-CZ3 4Å; Y534-L554 HydrophobicContact CD1-CB 4.08Å; Y534-L554 HydrophobicContact CD1-CD1 4.16Å; Y534-L554 HydrophobicContact CD2-CD1 3.59Å; Y534-L554 HydrophobicContact CE1-CB 4.03Å; Y534-L554 HydrophobicContact CE1-CD1 4.43Å; Y534-L554 HydrophobicContact CE2-CD1 3.87Å; Y534-L554 HydrophobicContact CG-CD1 3.77Å; Y534-P557 HydrophobicContact CD1-CB 3.96Å; Y534-P557 HydrophobicContact CD1-CG 3.64Å; Y534-P557 HydrophobicContact CE1-CG 4.28Å; Y534-I560 HydrophobicContact CD1-CD1 4.15Å; Y534-I560 HydrophobicContact CD1-CG1 4.47Å; Y534-I560 HydrophobicContact CE1-CD1 3.59Å; Y534-I560 HydrophobicContact CE1-CG1 4.35Å; Y534-I560 HydrophobicContact CE2-CD1 4.41Å
535	Y	98.6	Very high	96	Very high	23 Å²	23	49.6 Å²	49.6	9%	0.09	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	129.1	172.7	174.9	-115.6	0	0	0	111.2	L459 L492 F493 R537 P557 T558 A559 C588	L459-Y535 HydrophobicContact CD1-CE2 4.18Å; L492-Y535 WeakPolarHBondContact O-CD2 3.38Å; F493-Y535 AromaticContact CD1-CD2 3.78Å; F493-Y535 HydrophobicContact CD1-CD2 3.78Å; F493-Y535 HydrophobicContact CD1-CG 4.21Å; F493-Y535 HydrophobicContact CD2-CD2 4.4Å; F493-Y535 AromaticContact CE1-CD2 3.43Å; F493-Y535 HydrophobicContact CE1-CD2 3.43Å; F493-Y535 VanDerWaalsContact CE1-CD2 3.43Å; F493-Y535 HydrophobicContact CE1-CE2 4.32Å; F493-Y535 AromaticContact CE1-CG 3.82Å; F493-Y535 HydrophobicContact CE1-CG 3.82Å; F493-Y535 HydrophobicContact CE2-CD2 4.09Å; F493-Y535 HydrophobicContact CE2-CE2 4.36Å; F493-Y535 HydrophobicContact CG-CD2 4.26Å; F493-Y535 AromaticContact CZ-CD2 3.6Å; F493-Y535 HydrophobicContact CZ-CD2 3.6Å; F493-Y535 HydrophobicContact CZ-CE2 4.04Å; F493-Y535 HydrophobicContact CZ-CG 4.34Å; Y535-R537 HydrophobicContact CE1-CG 3.99Å; Y535-P557 WeakPolarHBondContact O-CB 3.42Å; Y535-T558 HydrophobicContact CD1-CG2 4.3Å; Y535-T558 HydrophobicContact CE1-CG2 4.33Å; Y535-T558 WeakPolarHBondContact O-CB 3.34Å; Y535-T558 PolarHBondContact O-N 3.18Å; Y535-A559 HydrophobicContact CD1-CB 4.32Å; Y535-A559 PolarHBondContact N-O 2.94Å; Y535-A559 PolarHBondContact O-N 2.83Å; Y535-C588 HydrophobicContact CD1-CB 3.86Å; Y535-C588 HydrophobicContact CD2-CB 4.22Å; Y535-C588 HydrophobicContact CE1-CB 4.06Å; Y535-C588 HydrophobicContact CE2-CB 4.4Å; Y535-C588 HydrophobicContact CG-CB 3.96Å
536	Y	98.3	Very high	95.9	Very high	10 Å²	10	54.6 Å²	54.6	4%	0.039	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.9	173.6	-58.2	-86.9	0	0	0	110.3	L477 G491 L492 V494 Y538 P540 L554 P555 P557	L477-Y536 HydrophobicContact CD2-CE2 4.17Å; G491-Y536 CarbonylContact C-O 3.17Å; G491-Y536 WeakPolarHBondContact CA-O 3.24Å; L492-Y536 HydrophobicContact CG-CD2 4.35Å; L492-Y536 PolarHBondContact N-O 2.84Å; L492-Y536 PolarHBondContact O-N 3.47Å; V494-Y536 HydrophobicContact CG2-CD2 4.2Å; V494-Y536 HydrophobicContact CG2-CE2 4.03Å; Y536-Y538 VanDerWaalsContact C-N 3.28Å; Y536-Y538 VanDerWaalsContact CB-O 3.29Å; Y536-Y538 WeakPolarHBondContact CB-O 3.11Å; Y536-Y538 PolarHBondContact O-N 2.78Å; Y536-P540 HydrophobicContact CD1-CG 3.57Å; Y536-P540 HydrophobicContact CD2-CG 4.15Å; Y536-P540 HydrophobicContact CE1-CG 3.66Å; Y536-P540 HydrophobicContact CE2-CG 4.22Å; Y536-P540 HydrophobicContact CG-CG 3.84Å; Y536-L554 WeakPolarHBondContact OH-CB 3.42Å; Y536-P555 HydrophobicContact CE1-CB 4.31Å; Y536-P555 PolarHBondContact OH-O 2.98Å; Y536-P557 HydrophobicContact CD1-CB 4.22Å; Y536-P557 VanDerWaalsContact CE1-CA 3.42Å; Y536-P557 HydrophobicContact CE1-CB 3.82Å; Y536-P557 HydrophobicContact CE2-CB 4.45Å
537	R	96	Very high	95.8	Very high	150 Å²	150	61.9 Å²	61.9	57%	0.566	27%	0.272	S	S	*	.	S	Bend	trans	-66.5	-31.1	171.5	-70.6	-178	-177.7	-136.6	0.5	112.8	G491 Y535 T558	G491-R537 VanDerWaalsContact CA-O 3.32Å; G491-R537 WeakPolarHBondContact CA-O 3.48Å; G491-R537 PolarHBondContact N-O 3.25Å; Y535-R537 HydrophobicContact CE1-CG 3.99Å; R537-T558 HydrophobicContact CG-CG2 4.01Å; R537-T558 PolarHBondContact N-OG1 3.42Å
538	Y	95.9	Very high	95.9	Very high	181 Å²	181	63.3 Å²	63.3	71%	0.71	28%	0.275	S	S	*	.	S	Bend	trans	-135.1	154.9	-179.6	-51	-72.8	0	0	0	109.7	Y536 P540	Y536-Y538 VanDerWaalsContact C-N 3.28Å; Y536-Y538 VanDerWaalsContact CB-O 3.29Å; Y536-Y538 WeakPolarHBondContact CB-O 3.11Å; Y536-Y538 PolarHBondContact O-N 2.78Å; Y538-P540 WeakPolarHBondContact O-CD 3.48Å
539	L	97.1	Very high	95.8	Very high	38 Å²	38	64.1 Å²	64.1	20%	0.199	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-59.5	126.2	174.6	-171.8	68	0	0	0	110.2	L477 L480 E481 A488 L492	L477-L539 HydrophobicContact CD1-CD1 4.32Å; L477-L539 HydrophobicContact CG-CD1 4.45Å; L477-L539 WeakPolarHBondContact O-CD1 3.44Å; L480-L539 HydrophobicContact CB-CD1 3.91Å; L480-L539 HydrophobicContact CB-CD2 4.3Å; L480-L539 HydrophobicContact CD2-CD1 3.89Å; E481-L539 HydrophobicContact CG-CD2 3.98Å; A488-L539 HydrophobicContact CB-CB 4.33Å; A488-L539 HydrophobicContact CB-CD1 4.23Å; L492-L539 HydrophobicContact CD1-CD1 3.9Å; L492-L539 HydrophobicContact CD2-CD1 4.4Å
540	P	97.3	Very high	95.1	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.032	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-58.5	141.3	178	-28.1	37.6	0	0	0	112.4	L477 A478 Y536 Y538 V545 P555	L477-P540 HydrophobicContact CD2-CB 4.5Å; L477-P540 HydrophobicContact CD2-CG 3.79Å; L477-P540 HydrophobicContact CG-CG 4.35Å; A478-P540 WeakPolarHBondContact CA-O 3.16Å; A478-P540 VanDerWaalsContact CB-O 3.27Å; A478-P540 WeakPolarHBondContact CB-O 3.27Å; Y536-P540 HydrophobicContact CD1-CG 3.57Å; Y536-P540 HydrophobicContact CD2-CG 4.15Å; Y536-P540 HydrophobicContact CE1-CG 3.66Å; Y536-P540 HydrophobicContact CE2-CG 4.22Å; Y536-P540 HydrophobicContact CG-CG 3.84Å; Y538-P540 WeakPolarHBondContact O-CD 3.48Å; P540-V545 HydrophobicContact CB-CG2 4.28Å; P540-P555 HydrophobicContact CB-CB 4.45Å; P540-P555 HydrophobicContact CB-CG 3.96Å; P540-P555 HydrophobicContact CG-CG 4.47Å
541	T	96.4	Very high	94.4	Very high	70 Å²	70	74 Å²	74	43%	0.429	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-77.7	163.2	178.4	63.8	0	0	0	0	112.1	Q543 E544 V545	T541-Q543 PolarHBondContact O-N 2.79Å; T541-E544 WeakPolarHBondContact CB-OE2 3.29Å; T541-E544 PolarHBondContact N-OE2 2.76Å; T541-E544 PolarHBondContact O-N 2.64Å; T541-E544 VanDerWaalsContact OG1-CG 3.3Å; T541-E544 WeakPolarHBondContact OG1-CG 3.32Å; T541-E544 PolarHBondContact OG1-N 3.27Å; T541-E544 PolarHBondContact OG1-OE2 2.96Å; T541-V545 WeakPolarHBondContact O-CG2 3.36Å; T541-V545 PolarHBondContact O-N 3.08Å
542	E	94.9	Very high	94	Very high	119 Å²	119	78.7 Å²	78.7	56%	0.556	37%	0.366	S	S	*	.	H	α-helix	trans	-60.7	-32.9	175.1	-67.4	-163.5	152.5	0	0	112.5	A478 Q479 R546	A478-E542 HydrophobicContact CB-CB 4.34Å; A478-E542 HydrophobicContact CB-CG 3.79Å; Q479-E542 PolarHBondContact NE2-OE1 3.01Å; E542-R546 WeakPolarHBondContact O-CB 3.28Å; E542-R546 PolarHBondContact O-N 2.82Å
543	Q	95.3	Very high	93.7	Very high	145 Å²	145	79.4 Å²	79.4	68%	0.678	37%	0.371	S	S	*	.	H	α-helix	trans	-67.2	-46.1	176.7	-68.9	-174.4	-1.9	0	0	111.2	T541 V545 R546 F547	T541-Q543 PolarHBondContact O-N 2.79Å; Q543-V545 VanDerWaalsContact C-N 3.34Å; Q543-V545 PolarHBondContact O-N 3.36Å; Q543-R546 PolarHBondContact O-N 2.9Å; Q543-F547 HydrophobicContact CB-CD2 4.37Å; Q543-F547 WeakPolarHBondContact O-CB 3.31Å; Q543-F547 VanDerWaalsContact O-CD2 3.27Å; Q543-F547 WeakPolarHBondContact O-CD2 3.24Å; Q543-F547 PolarHBondContact O-N 2.89Å
544	E	95.8	Very high	93.5	Very high	100 Å²	100	79.5 Å²	79.5	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-62.9	-40	177.2	-71.6	166.3	134.2	0	0	111.9	T541 R548 P555	T541-E544 WeakPolarHBondContact CB-OE2 3.29Å; T541-E544 PolarHBondContact N-OE2 2.76Å; T541-E544 PolarHBondContact O-N 2.64Å; T541-E544 VanDerWaalsContact OG1-CG 3.3Å; T541-E544 WeakPolarHBondContact OG1-CG 3.32Å; T541-E544 PolarHBondContact OG1-N 3.27Å; T541-E544 PolarHBondContact OG1-OE2 2.96Å; E544-R548 WeakPolarHBondContact O-CB 3.34Å; E544-R548 PolarHBondContact O-N 3.25Å; E544-R548 VanDerWaalsContact O-N 3.08Å; E544-P555 HydrophobicContact CB-CB 4.11Å; E544-P555 HydrophobicContact CB-CG 4.33Å
545	V	94.1	Very high	93.4	Very high	13 Å²	13	79.5 Å²	79.5	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-63.9	-43.5	173	175.5	0	0	0	0	111.4	A478 P540 T541 Q543 R548 P555	A478-V545 HydrophobicContact CB-CG2 3.93Å; P540-V545 HydrophobicContact CB-CG2 4.28Å; T541-V545 WeakPolarHBondContact O-CG2 3.36Å; T541-V545 PolarHBondContact O-N 3.08Å; Q543-V545 VanDerWaalsContact C-N 3.34Å; Q543-V545 PolarHBondContact O-N 3.36Å; V545-R548 WeakPolarHBondContact O-CG 3.45Å; V545-R548 PolarHBondContact O-NH1 3.46Å; V545-P555 HydrophobicContact CB-CG 4.33Å; V545-P555 HydrophobicContact CG2-CG 3.69Å
546	R	91.3	Very high	93.3	Very high	197 Å²	197	88.5 Å²	88.5	74%	0.743	41%	0.405	S	S	*	.	H	α-helix	trans	-70.4	-39.7	-177.4	-176	174.7	-178.8	177.2	-2	113.3	E542 Q543	E542-R546 WeakPolarHBondContact O-CB 3.28Å; E542-R546 PolarHBondContact O-N 2.82Å; Q543-R546 PolarHBondContact O-N 2.9Å
547	F	91.9	Very high	93.3	Very high	153 Å²	153	88.9 Å²	88.9	67%	0.671	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	19.6	-174.9	-60.9	-68.6	0	0	0	113.2	Q543	Q543-F547 HydrophobicContact CB-CD2 4.37Å; Q543-F547 WeakPolarHBondContact O-CB 3.31Å; Q543-F547 VanDerWaalsContact O-CD2 3.27Å; Q543-F547 WeakPolarHBondContact O-CD2 3.24Å; Q543-F547 PolarHBondContact O-N 2.89Å
548	R	93.9	Very high	93.3	Very high	61 Å²	61	85.4 Å²	85.4	23%	0.23	40%	0.404	C	S	.	.	S	Bend	trans	-57.1	154.6	172.1	70.5	-175.3	-175.3	-89.5	0.4	111.3	E544 V545 A550 W552 P553	E544-R548 WeakPolarHBondContact O-CB 3.34Å; E544-R548 PolarHBondContact O-N 3.25Å; E544-R548 VanDerWaalsContact O-N 3.08Å; V545-R548 WeakPolarHBondContact O-CG 3.45Å; V545-R548 PolarHBondContact O-NH1 3.46Å; R548-A550 PolarHBondContact O-N 3.41Å; R548-W552 WeakPolarHBondContact CD-O 3.41Å; R548-W552 PolarHBondContact NE-O 3.18Å; R548-W552 VanDerWaalsContact NE-O 3.07Å; R548-P553 PolarHBondContact NE-O 2.96Å
549	P	90.9	Very high	93.4	Very high	64 Å²	64	78 Å²	78	42%	0.416	38%	0.38	S	S	.	.			trans	-52.3	139.2	176	-25.4	34.2	0	0	0	111.9	H551 W552	P549-H551 PolarHBondContact O-N 3.02Å; P549-W552 HydrophobicContact CB-CB 4.17Å; P549-W552 HydrophobicContact CB-CG 3.97Å; P549-W552 HydrophobicContact CG-CB 4.47Å; P549-W552 HydrophobicContact CG-CG 4.2Å; P549-W552 PolarHBondContact O-N 3.21Å
550	A	80.1	Confident	93.5	Very high	99 Å²	99	78.9 Å²	78.9	82%	0.818	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.3	-169.5	0	0	0	0	0	115.1	R548	R548-A550 PolarHBondContact O-N 3.41Å
551	H	82.1	Confident	93.5	Very high	123 Å²	123	80 Å²	80	57%	0.569	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	0.7	-178.6	-56.7	-68.7	0	0	0	114.1	R501 P549	R501-H551 VanDerWaalsContact CZ-CD2 3.46Å; R501-H551 PolarHBondContact NH2-CD2 2.7Å; R501-H551 PolarHBondContact NH2-NE2 2.58Å; P549-H551 PolarHBondContact O-N 3.02Å
552	W	88.9	Confident	93.6	Very high	98 Å²	98	78.4 Å²	78.4	37%	0.371	38%	0.377	S	S	.	.			trans	-95.8	132	-179.1	-77.2	45.1	0	0	0	110	Y534 R548 P549 L554 P557 I560	Y534-W552 HydrophobicContact CE1-CE3 4.05Å; Y534-W552 AromaticContact CE1-CZ3 4Å; Y534-W552 HydrophobicContact CE1-CZ3 4Å; R548-W552 WeakPolarHBondContact CD-O 3.41Å; R548-W552 PolarHBondContact NE-O 3.18Å; R548-W552 VanDerWaalsContact NE-O 3.07Å; P549-W552 HydrophobicContact CB-CB 4.17Å; P549-W552 HydrophobicContact CB-CG 3.97Å; P549-W552 HydrophobicContact CG-CB 4.47Å; P549-W552 HydrophobicContact CG-CG 4.2Å; P549-W552 PolarHBondContact O-N 3.21Å; W552-L554 WeakPolarHBondContact CB-O 3.33Å; W552-L554 PolarHBondContact O-N 2.84Å; W552-P557 HydrophobicContact CZ3-CG 4.37Å; W552-I560 HydrophobicContact CH2-CD1 4.12Å; W552-I560 HydrophobicContact CZ3-CD1 4.03Å
553	P	91.6	Very high	93.7	Very high	16 Å²	16	72.9 Å²	72.9	10%	0.104	35%	0.351	C	S	.	.	S	Bend	trans	-68	-28.2	177.2	24.9	-29.2	0	0	0	111.7	I474 E498 R548	I474-P553 HydrophobicContact CD1-CB 3.67Å; E498-P553 HydrophobicContact CG-CG 4.47Å; E498-P553 WeakPolarHBondContact OE1-CG 3.38Å; R548-P553 PolarHBondContact NE-O 2.96Å
554	L	95.5	Very high	93.8	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	32%	0.321	C	S	.	.	S	Bend	trans	-129.2	161	-175.6	-74.1	168	0	0	0	111.6	I474 L477 V494 Y534 Y536 W552	I474-L554 HydrophobicContact CB-CD2 3.93Å; L477-L554 HydrophobicContact CD2-CD2 3.75Å; V494-L554 HydrophobicContact CB-CD1 4.08Å; V494-L554 HydrophobicContact CG1-CD1 3.58Å; V494-L554 HydrophobicContact CG1-CD2 4.47Å; Y534-L554 HydrophobicContact CD1-CB 4.08Å; Y534-L554 HydrophobicContact CD1-CD1 4.16Å; Y534-L554 HydrophobicContact CD2-CD1 3.59Å; Y534-L554 HydrophobicContact CE1-CB 4.03Å; Y534-L554 HydrophobicContact CE1-CD1 4.43Å; Y534-L554 HydrophobicContact CE2-CD1 3.87Å; Y534-L554 HydrophobicContact CG-CD1 3.77Å; Y536-L554 WeakPolarHBondContact OH-CB 3.42Å; W552-L554 WeakPolarHBondContact CB-O 3.33Å; W552-L554 PolarHBondContact O-N 2.84Å
555	P	96.2	Very high	93.7	Very high	4 Å²	4	62.2 Å²	62.2	3%	0.026	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-57.8	161.2	172.4	-23.5	34.7	0	0	0	112.8	Y536 P540 E544 V545 P557	Y536-P555 HydrophobicContact CE1-CB 4.31Å; Y536-P555 PolarHBondContact OH-O 2.98Å; P540-P555 HydrophobicContact CB-CB 4.45Å; P540-P555 HydrophobicContact CB-CG 3.96Å; P540-P555 HydrophobicContact CG-CG 4.47Å; E544-P555 HydrophobicContact CB-CB 4.11Å; E544-P555 HydrophobicContact CB-CG 4.33Å; V545-P555 HydrophobicContact CB-CG 4.33Å; V545-P555 HydrophobicContact CG2-CG 3.69Å; P555-P557 VanDerWaalsContact O-CD 3.29Å; P555-P557 WeakPolarHBondContact O-CD 3.35Å; P555-P557 VanDerWaalsContact O-N 3.13Å
556	R	95.9	Very high	93.7	Very high	212 Å²	212	63.8 Å²	63.8	80%	0.8	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-57.4	118.7	175.1	-172.3	178.1	-175.9	-172.6	1.4	110.1
557	P	97.3	Very high	93.6	Very high	18 Å²	18	61.6 Å²	61.6	12%	0.117	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-81.9	169.4	-179.5	35.7	-36.8	0	0	0	111.9	Y534 Y535 Y536 W552 P555 A559 I560	Y534-P557 HydrophobicContact CD1-CB 3.96Å; Y534-P557 HydrophobicContact CD1-CG 3.64Å; Y534-P557 HydrophobicContact CE1-CG 4.28Å; Y535-P557 WeakPolarHBondContact O-CB 3.42Å; Y536-P557 HydrophobicContact CD1-CB 4.22Å; Y536-P557 VanDerWaalsContact CE1-CA 3.42Å; Y536-P557 HydrophobicContact CE1-CB 3.82Å; Y536-P557 HydrophobicContact CE2-CB 4.45Å; W552-P557 HydrophobicContact CZ3-CG 4.37Å; P555-P557 VanDerWaalsContact O-CD 3.29Å; P555-P557 WeakPolarHBondContact O-CD 3.35Å; P555-P557 VanDerWaalsContact O-N 3.13Å; P557-A559 VanDerWaalsContact C-N 3.35Å; P557-A559 WeakPolarHBondContact CB-O 3.3Å; P557-I560 HydrophobicContact CG-CB 3.86Å
558	T	97.8	Very high	93.5	Very high	76 Å²	76	60.5 Å²	60.5	47%	0.466	31%	0.307	S	S	.	.	S	Bend	trans	-67	-40.6	168.5	-53.8	0	0	0	0	110.8	Y535 R537	Y535-T558 HydrophobicContact CD1-CG2 4.3Å; Y535-T558 HydrophobicContact CE1-CG2 4.33Å; Y535-T558 WeakPolarHBondContact O-CB 3.34Å; Y535-T558 PolarHBondContact O-N 3.18Å; R537-T558 HydrophobicContact CG-CG2 4.01Å; R537-T558 PolarHBondContact N-OG1 3.42Å
559	A	98.1	Very high	93.4	Very high	25 Å²	25	58.6 Å²	58.6	21%	0.207	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	151.8	174	0	0	0	0	0	109.8	Y535 P557 F584	Y535-A559 HydrophobicContact CD1-CB 4.32Å; Y535-A559 PolarHBondContact N-O 2.94Å; Y535-A559 PolarHBondContact O-N 2.83Å; P557-A559 VanDerWaalsContact C-N 3.35Å; P557-A559 WeakPolarHBondContact CB-O 3.3Å; A559-F584 HydrophobicContact CB-CE2 3.66Å; A559-F584 HydrophobicContact CB-CZ 4.23Å
560	I	97.6	Very high	93.6	Very high	58 Å²	58	57.3 Å²	57.3	30%	0.297	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.1	179.8	-169.3	170.7	0	0	0	109.4	V532 I533 Y534 W552 P557	V532-I560 HydrophobicContact CG1-CD1 3.79Å; V532-I560 HydrophobicContact CG1-CG1 3.81Å; I533-I560 WeakPolarHBondContact O-CA 3.12Å; Y534-I560 HydrophobicContact CD1-CD1 4.15Å; Y534-I560 HydrophobicContact CD1-CG1 4.47Å; Y534-I560 HydrophobicContact CE1-CD1 3.59Å; Y534-I560 HydrophobicContact CE1-CG1 4.35Å; Y534-I560 HydrophobicContact CE2-CD1 4.41Å; W552-I560 HydrophobicContact CH2-CD1 4.12Å; W552-I560 HydrophobicContact CZ3-CD1 4.03Å; P557-I560 HydrophobicContact CG-CB 3.86Å
561	H	97.9	Very high	94.4	Very high	29 Å²	29	52.7 Å²	52.7	13%	0.134	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	127.6	173.5	-179.6	61.9	0	0	0	110.3	V532 I533 F584	V532-H561 WeakPolarHBondContact CA-O 3.48Å; I533-H561 PolarHBondContact N-O 2.92Å; I533-H561 PolarHBondContact O-N 3.18Å; H561-F584 HydrophobicContact CB-CB 4.08Å; H561-F584 HydrophobicContact CB-CD1 3.56Å; H561-F584 HydrophobicContact CB-CD2 3.56Å; H561-F584 HydrophobicContact CB-CE1 3.76Å; H561-F584 HydrophobicContact CB-CE2 3.73Å; H561-F584 HydrophobicContact CB-CG 3.44Å; H561-F584 VanDerWaalsContact CB-CG 3.44Å; H561-F584 HydrophobicContact CB-CZ 3.83Å; H561-F584 AromaticContact CG-CG 3.88Å
562	H	97.8	Very high	95.1	Very high	36 Å²	36	50 Å²	50	17%	0.167	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.9	168.3	-67.7	-109.4	0	0	0	107.3	A523 H530 V532	A523-H562 HydrophobicContact CB-CB 3.97Å; A523-H562 VanDerWaalsContact CB-O 3.27Å; A523-H562 WeakPolarHBondContact CB-O 3.33Å; A523-H562 WeakPolarHBondContact O-CB 3.47Å; H530-H562 AromaticContact CD2-ND1 3.75Å; H530-H562 AromaticContact NE2-CE1 3.89Å; H530-H562 AromaticContact NE2-CG 3.96Å; H530-H562 AromaticContact NE2-ND1 2.97Å; H530-H562 PolarHBondContact NE2-ND1 3.06Å; V532-H562 WeakPolarHBondContact CG2-ND1 3.32Å
563	I	97.8	Very high	95.5	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-79.6	129.4	163.6	-56.8	-177.1	0	0	0	105.8	H530 P531 I533 W571 H577 L581	H530-I563 PolarHBondContact CD2-O 3.14Å; P531-I563 HydrophobicContact CB-CB 4.32Å; P531-I563 HydrophobicContact CB-CD1 4.07Å; P531-I563 HydrophobicContact CB-CG1 4.35Å; P531-I563 HydrophobicContact CG-CB 4.26Å; P531-I563 HydrophobicContact CG-CD1 4.26Å; P531-I563 PolarHBondContact O-N 3.25Å; I533-I563 HydrophobicContact CD1-CD1 3.85Å; I533-I563 HydrophobicContact CD1-CG1 3.79Å; I563-W571 HydrophobicContact CG2-CB 4.21Å; I563-W571 VanDerWaalsContact CG2-CD1 3.48Å; I563-W571 HydrophobicContact CG2-CG 4.06Å; I563-H577 HydrophobicContact CG2-CB 4.07Å; I563-L581 HydrophobicContact CD1-CD1 4.47Å; I563-L581 HydrophobicContact CD1-CD2 4.16Å
564	V	96.7	Very high	95.6	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.036	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-57	145.3	179.5	66.8	0	0	0	0	110.4	V517 T520 A523 W571	V517-V564 HydrophobicContact CG1-CG2 4.15Å; V517-V564 WeakPolarHBondContact O-CG2 3.31Å; T520-V564 HydrophobicContact CG2-CG1 4.33Å; A523-V564 HydrophobicContact CB-CB 3.86Å; A523-V564 HydrophobicContact CB-CG2 4.48Å; V564-W571 VanDerWaalsContact O-CD1 3.28Å; V564-W571 PolarHBondContact O-NE1 2.87Å; V564-W571 VanDerWaalsContact O-NE1 3.16Å
565	E	94.9	Very high	95.6	Very high	14 Å²	14	56.2 Å²	56.2	7%	0.065	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-63.4	153	179.5	58.6	-173.6	-142.2	0	0	113.4	S516 V517 S526 N527 F528 H530	S516-E565 WeakPolarHBondContact CA-OE1 3.37Å; V517-E565 HydrophobicContact CB-CG 4.39Å; V517-E565 PolarHBondContact N-OE1 3.39Å; V517-E565 WeakPolarHBondContact O-CG 3.39Å; S526-E565 WeakPolarHBondContact CA-OE2 3.44Å; S526-E565 WeakPolarHBondContact CB-OE2 3.22Å; S526-E565 PolarHBondContact OG-N 2.99Å; N527-E565 WeakPolarHBondContact CA-OE2 3.48Å; N527-E565 PolarHBondContact N-OE2 3.02Å; F528-E565 HydrophobicContact CB-CB 4.07Å; F528-E565 WeakPolarHBondContact CB-OE2 3.35Å; F528-E565 VanDerWaalsContact CD2-CD 3.44Å; F528-E565 HydrophobicContact CD2-CG 4.27Å; F528-E565 WeakPolarHBondContact CD2-OE1 3.34Å; F528-E565 PolarHBondContact N-OE2 3.18Å; H530-E565 HydrophobicContact CB-CB 4.16Å
566	D	94.6	Very high	95.5	Very high	46 Å²	46	56.9 Å²	56.9	25%	0.246	30%	0.3	C	S	.	.			trans	-139.5	129.7	178.7	-179.2	-85.4	0	0	0	110.1	L568 T569 D570	D566-L568 VanDerWaalsContact C-N 3.26Å; D566-L568 PolarHBondContact O-N 2.87Å; D566-L568 VanDerWaalsContact OD1-CA 3.29Å; D566-L568 WeakPolarHBondContact OD1-CA 3.36Å; D566-L568 WeakPolarHBondContact OD1-CB 3.36Å; D566-L568 PolarHBondContact OD1-N 3.35Å; D566-T569 PolarHBondContact O-N 2.66Å; D566-T569 PolarHBondContact OD1-N 2.91Å; D566-D570 PolarHBondContact OD1-N 3.08Å
567	F	87.8	Confident	95.6	Very high	151 Å²	151	47.2 Å²	47.2	66%	0.662	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.3	-176.5	-87.6	-75.9	0	0	0	113.8	F528 T569	F528-F567 HydrophobicContact CD2-CE1 4.31Å; F528-F567 HydrophobicContact CD2-CZ 4.33Å; F528-F567 HydrophobicContact CE2-CD1 4.3Å; F528-F567 AromaticContact CE2-CE1 3.5Å; F528-F567 HydrophobicContact CE2-CE1 3.5Å; F528-F567 VanDerWaalsContact CE2-CE1 3.5Å; F528-F567 HydrophobicContact CE2-CE2 4.06Å; F528-F567 AromaticContact CE2-CZ 3.36Å; F528-F567 HydrophobicContact CE2-CZ 3.36Å; F528-F567 AromaticContact CZ-CE1 3.69Å; F528-F567 HydrophobicContact CZ-CE1 3.69Å; F528-F567 AromaticContact CZ-CZ 3.82Å; F528-F567 HydrophobicContact CZ-CZ 3.82Å; F567-T569 VanDerWaalsContact C-N 3.27Å
568	L	90.3	Very high	95.6	Very high	131 Å²	131	49 Å²	49	69%	0.686	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	0.1	177.5	-57.9	-179.9	0	0	0	111.7	D566 D570	D566-L568 VanDerWaalsContact C-N 3.26Å; D566-L568 PolarHBondContact O-N 2.87Å; D566-L568 VanDerWaalsContact OD1-CA 3.29Å; D566-L568 WeakPolarHBondContact OD1-CA 3.36Å; D566-L568 WeakPolarHBondContact OD1-CB 3.36Å; D566-L568 PolarHBondContact OD1-N 3.35Å; L568-D570 HydrophobicContact CB-CB 4.19Å; L568-D570 PolarHBondContact O-N 2.83Å
569	T	92.6	Very high	95.5	Very high	20 Å²	20	48.6 Å²	48.6	12%	0.123	27%	0.267	C	S	.	.			trans	56.6	36.8	-171.7	66.7	0	0	0	0	111.4	N441 Y447 D566 F567 W571	N441-T569 PolarHBondContact OD1-O 3.18Å; Y447-T569 HydrophobicContact CE2-CG2 3.88Å; D566-T569 PolarHBondContact O-N 2.66Å; D566-T569 PolarHBondContact OD1-N 2.91Å; F567-T569 VanDerWaalsContact C-N 3.27Å; T569-W571 HydrophobicContact CG2-CH2 4.15Å; T569-W571 VanDerWaalsContact O-CZ3 3.3Å; T569-W571 WeakPolarHBondContact O-CZ3 3.32Å
570	D	94.5	Very high	95.5	Very high	38 Å²	38	48.9 Å²	48.9	20%	0.203	27%	0.267	C	S	.	.			trans	-112.9	94.7	-176.4	-161.7	-35	0	0	0	111.2	K88 N441 D566 L568 T572 H577	K88-D570 IonicContact NZ-OD2 2.76Å; K88-D570 PolarHBondContact NZ-OD2 3.12Å; N441-D570 WeakPolarHBondContact OD1-CA 3.43Å; D566-D570 PolarHBondContact OD1-N 3.08Å; L568-D570 HydrophobicContact CB-CB 4.19Å; L568-D570 PolarHBondContact O-N 2.83Å; D570-T572 VanDerWaalsContact C-N 3.27Å; D570-T572 PolarHBondContact O-N 3.45Å; D570-T572 VanDerWaalsContact OD1-CB 3.32Å; D570-T572 WeakPolarHBondContact OD1-CB 3.29Å; D570-T572 VanDerWaalsContact OD1-CG2 3.24Å; D570-T572 WeakPolarHBondContact OD1-CG2 3.48Å; D570-T572 PolarHBondContact OD1-N 3.07Å; D570-T572 PolarHBondContact OD1-OG1 3.14Å; D570-H577 PolarHBondContact O-CE1 3.21Å; D570-H577 VanDerWaalsContact O-CE1 3.28Å; D570-H577 PolarHBondContact O-ND1 2.85Å
571	W	96.9	Very high	95.5	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	43.3	-178.4	-61.4	-74.1	0	0	0	112.8	V440 N441 M497 P531 I563 V564 T569 H577	V440-W571 HydrophobicContact CB-CE3 4.42Å; V440-W571 HydrophobicContact CG2-CB 4.18Å; V440-W571 HydrophobicContact CG2-CE3 4.29Å; V440-W571 VanDerWaalsContact O-CZ3 3.27Å; V440-W571 WeakPolarHBondContact O-CZ3 3.33Å; N441-W571 PolarHBondContact OD1-N 3.03Å; M497-W571 HydrophobicContact CE-CH2 3.39Å; M497-W571 HydrophobicContact CE-CZ2 4.03Å; M497-W571 HydrophobicContact CE-CZ3 3.93Å; P531-W571 VanDerWaalsContact CD-CE2 3.42Å; P531-W571 HydrophobicContact CG-CD2 3.78Å; P531-W571 HydrophobicContact CG-CE3 4.16Å; P531-W571 HydrophobicContact CG-CG 4.1Å; P531-W571 HydrophobicContact CG-CZ2 4.3Å; I563-W571 HydrophobicContact CG2-CB 4.21Å; I563-W571 VanDerWaalsContact CG2-CD1 3.48Å; I563-W571 HydrophobicContact CG2-CG 4.06Å; V564-W571 VanDerWaalsContact O-CD1 3.28Å; V564-W571 PolarHBondContact O-NE1 2.87Å; V564-W571 VanDerWaalsContact O-NE1 3.16Å; T569-W571 HydrophobicContact CG2-CH2 4.15Å; T569-W571 VanDerWaalsContact O-CZ3 3.3Å; T569-W571 WeakPolarHBondContact O-CZ3 3.32Å; W571-H577 VanDerWaalsContact CA-ND1 3.33Å; W571-H577 WeakPolarHBondContact CA-ND1 3.43Å; W571-H577 HydrophobicContact CB-CB 4.44Å; W571-H577 AromaticContact CD1-CD2 3.97Å; W571-H577 AromaticContact CD1-NE2 3.85Å; W571-H577 WeakPolarHBondContact O-CB 3.45Å
572	T	96.8	Very high	95.5	Very high	66 Å²	66	46.2 Å²	46.2	41%	0.405	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-4.6	-176.8	67	0	0	0	0	115	V437 D570 P574 I578	V437-T572 HydrophobicContact CG1-CG2 4.04Å; D570-T572 VanDerWaalsContact C-N 3.27Å; D570-T572 PolarHBondContact O-N 3.45Å; D570-T572 VanDerWaalsContact OD1-CB 3.32Å; D570-T572 WeakPolarHBondContact OD1-CB 3.29Å; D570-T572 VanDerWaalsContact OD1-CG2 3.24Å; D570-T572 WeakPolarHBondContact OD1-CG2 3.48Å; D570-T572 PolarHBondContact OD1-N 3.07Å; D570-T572 PolarHBondContact OD1-OG1 3.14Å; T572-P574 WeakPolarHBondContact O-CD 3.36Å; T572-I578 WeakPolarHBondContact O-CD1 3.48Å
573	A	96.4	Very high	95.5	Very high	41 Å²	41	49.8 Å²	49.8	34%	0.339	26%	0.264	S	S	.	.			trans	-52.9	124.5	175.6	0	0	0	0	0	112	I575 H577 I578	A573-I575 PolarHBondContact O-N 3.22Å; A573-H577 WeakPolarHBondContact CB-ND1 3.03Å; A573-H577 PolarHBondContact N-ND1 2.83Å; A573-H577 WeakPolarHBondContact O-CB 3.37Å; A573-H577 PolarHBondContact O-N 2.93Å; A573-I578 PolarHBondContact O-N 2.99Å; A573-I578 VanDerWaalsContact O-N 3.07Å
574	P	95.2	Very high	95.5	Very high	69 Å²	69	50.7 Å²	50.7	45%	0.448	27%	0.267	S	S	.	.	I	π-helix	trans	-59.3	-44.8	-175.8	-27.7	35	0	0	0	113.6	T572 L579 L684	T572-P574 WeakPolarHBondContact O-CD 3.36Å; P574-L579 WeakPolarHBondContact O-CB 3.37Å; P574-L579 PolarHBondContact O-N 3.15Å; P574-L684 HydrophobicContact CB-CD2 3.73Å; P574-L684 HydrophobicContact CG-CD2 4.24Å
575	I	94.8	Very high	95.5	Very high	137 Å²	137	50.4 Å²	50.4	70%	0.703	27%	0.266	S	S	*	.	I	π-helix	trans	-82.3	-46	-176.4	-58.8	174	0	0	0	111	A573 P580	A573-I575 PolarHBondContact O-N 3.22Å; I575-P580 WeakPolarHBondContact O-CD 3.38Å
576	G	94.6	Very high	95.6	Very high	18 Å²	18	50.7 Å²	50.7	19%	0.186	27%	0.267	C	S	.	.	I	π-helix	trans	-75.8	-33.2	-173.5	0	0	0	0	0	114.6	T520	T520-G576 VanDerWaalsContact CG2-O 3.24Å; T520-G576 WeakPolarHBondContact CG2-O 3.15Å
577	H	97.3	Very high	95.7	Very high	9 Å²	9	54.7 Å²	54.7	4%	0.042	29%	0.289	C	S	.	.	I	π-helix	trans	-120.6	-55.4	-168.9	-54.6	138.2	0	0	0	112.3	I563 D570 W571 A573 L581	I563-H577 HydrophobicContact CG2-CB 4.07Å; D570-H577 PolarHBondContact O-CE1 3.21Å; D570-H577 VanDerWaalsContact O-CE1 3.28Å; D570-H577 PolarHBondContact O-ND1 2.85Å; W571-H577 VanDerWaalsContact CA-ND1 3.33Å; W571-H577 WeakPolarHBondContact CA-ND1 3.43Å; W571-H577 HydrophobicContact CB-CB 4.44Å; W571-H577 AromaticContact CD1-CD2 3.97Å; W571-H577 AromaticContact CD1-NE2 3.85Å; W571-H577 WeakPolarHBondContact O-CB 3.45Å; A573-H577 WeakPolarHBondContact CB-ND1 3.03Å; A573-H577 PolarHBondContact N-ND1 2.83Å; A573-H577 WeakPolarHBondContact O-CB 3.37Å; A573-H577 PolarHBondContact O-N 2.93Å; H577-L581 WeakPolarHBondContact O-CB 3.37Å; H577-L581 PolarHBondContact O-N 3.05Å
578	I	97.3	Very high	96.1	Very high	56 Å²	56	48.3 Å²	48.3	29%	0.287	26%	0.262	S	S	.	.	I	π-helix	trans	-73.3	-46.4	-169.4	-60.8	-179.9	0	0	0	111.6	T433 V437 T572 A573 L581 R582	T433-I578 HydrophobicContact CG2-CG2 4.27Å; V437-I578 HydrophobicContact CG2-CG1 4.27Å; T572-I578 WeakPolarHBondContact O-CD1 3.48Å; A573-I578 PolarHBondContact O-N 2.99Å; A573-I578 VanDerWaalsContact O-N 3.07Å; I578-L581 PolarHBondContact O-N 3.16Å; I578-R582 WeakPolarHBondContact O-CB 3.22Å; I578-R582 PolarHBondContact O-N 3.05Å
579	L	96.4	Very high	96.3	Very high	66 Å²	66	43.1 Å²	43.1	35%	0.346	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-50.9	-178.5	172.9	67.2	0	0	0	112.3	P574 L581 R582 R583	P574-L579 WeakPolarHBondContact O-CB 3.37Å; P574-L579 PolarHBondContact O-N 3.15Å; L579-L581 VanDerWaalsContact C-N 3.35Å; L579-L581 PolarHBondContact O-N 3.43Å; L579-R582 PolarHBondContact O-N 3.13Å; L579-R583 HydrophobicContact CD1-CG 4.23Å; L579-R583 WeakPolarHBondContact O-CG 3.37Å; L579-R583 PolarHBondContact O-N 3.08Å
580	P	97.4	Very high	96.2	Very high	32 Å²	32	48.1 Å²	48.1	21%	0.208	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-42	176.7	-25.3	35.5	0	0	0	112.7	T520 I575 R583 F584	T520-P580 HydrophobicContact CG2-CG 4.28Å; I575-P580 WeakPolarHBondContact O-CD 3.38Å; P580-R583 PolarHBondContact O-N 3.03Å; P580-F584 WeakPolarHBondContact O-CB 3.48Å; P580-F584 PolarHBondContact O-N 2.93Å
581	L	98.2	Very high	96	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60	-48.5	176	174.3	62.9	0	0	0	111.1	T433 I436 V437 I533 I563 H577 I578 L579 R583 F584 L585	T433-L581 HydrophobicContact CG2-CD2 4.15Å; T433-L581 HydrophobicContact CG2-CG 4.4Å; I436-L581 HydrophobicContact CB-CD2 4.33Å; I436-L581 HydrophobicContact CG2-CD1 4.43Å; I436-L581 HydrophobicContact CG2-CD2 3.92Å; V437-L581 HydrophobicContact CG2-CD2 3.71Å; I533-L581 HydrophobicContact CD1-CD1 3.83Å; I533-L581 HydrophobicContact CG1-CD1 4.49Å; I563-L581 HydrophobicContact CD1-CD1 4.47Å; I563-L581 HydrophobicContact CD1-CD2 4.16Å; H577-L581 WeakPolarHBondContact O-CB 3.37Å; H577-L581 PolarHBondContact O-N 3.05Å; I578-L581 PolarHBondContact O-N 3.16Å; L579-L581 VanDerWaalsContact C-N 3.35Å; L579-L581 PolarHBondContact O-N 3.43Å; L581-R583 VanDerWaalsContact C-N 3.35Å; L581-R583 PolarHBondContact O-N 3.42Å; L581-F584 WeakPolarHBondContact O-CB 3.42Å; L581-F584 PolarHBondContact O-N 3.17Å; L581-L585 HydrophobicContact CD1-CD1 4.1Å; L581-L585 HydrophobicContact CD1-CG 4.15Å; L581-L585 HydrophobicContact CG-CD1 4.04Å; L581-L585 HydrophobicContact CG-CG 4.48Å; L581-L585 VanDerWaalsContact O-CG 3.26Å; L581-L585 WeakPolarHBondContact O-CG 3.23Å; L581-L585 PolarHBondContact O-N 3.21Å
582	R	97.4	Very high	95.7	Very high	31 Å²	31	48.9 Å²	48.9	12%	0.117	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-47.8	178	-173	-175.1	70.7	-162.7	-2.2	110.6	T433 I578 L579 F584 L585 E586 L593	T433-R582 HydrophobicContact CG2-CB 4.4Å; I578-R582 WeakPolarHBondContact O-CB 3.22Å; I578-R582 PolarHBondContact O-N 3.05Å; L579-R582 PolarHBondContact O-N 3.13Å; R582-F584 VanDerWaalsContact C-N 3.33Å; R582-F584 PolarHBondContact O-N 3.06Å; R582-L585 PolarHBondContact O-N 3.49Å; R582-L585 VanDerWaalsContact O-N 3.15Å; R582-E586 WeakPolarHBondContact CD-OE1 3.41Å; R582-E586 HydrophobicContact CG-CG 4.23Å; R582-E586 WeakPolarHBondContact CG-OE1 3.37Å; R582-E586 IonicContact NE-OE1 3.39Å; R582-E586 PolarHBondContact NE-OE1 3.29Å; R582-E586 WeakPolarHBondContact O-CB 3.42Å; R582-E586 VanDerWaalsContact O-CG 3.27Å; R582-E586 WeakPolarHBondContact O-CG 3.4Å; R582-E586 PolarHBondContact O-N 2.85Å; R582-L593 HydrophobicContact CG-CB 4.43Å
583	R	97.3	Very high	95.4	Very high	111 Å²	111	46.5 Å²	46.5	42%	0.419	25%	0.251	S	S	.	.	H	α-helix	trans	-59.9	-41.5	178.5	-68.8	-60.4	-176.7	-164.2	6.3	112.4	L579 P580 L581 E586 N587	L579-R583 HydrophobicContact CD1-CG 4.23Å; L579-R583 WeakPolarHBondContact O-CG 3.37Å; L579-R583 PolarHBondContact O-N 3.08Å; P580-R583 PolarHBondContact O-N 3.03Å; L581-R583 VanDerWaalsContact C-N 3.35Å; L581-R583 PolarHBondContact O-N 3.42Å; R583-E586 WeakPolarHBondContact CD-OE2 3.15Å; R583-E586 IonicContact CZ-OE2 3.57Å; R583-E586 IonicContact NE-OE2 3.86Å; R583-E586 IonicContact NH1-OE2 2.78Å; R583-E586 PolarHBondContact NH1-OE2 3.34Å; R583-N587 WeakPolarHBondContact O-CB 3.07Å; R583-N587 PolarHBondContact O-N 3.4Å
584	F	98.1	Very high	95.1	Very high	21 Å²	21	47.4 Å²	47.4	9%	0.092	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-46.3	173.9	168.7	-104.1	0	0	0	112.3	F493 I533 A559 H561 P580 L581 R582 N587 C588	F493-F584 HydrophobicContact CD1-CE1 4.33Å; F493-F584 HydrophobicContact CE1-CE1 4.12Å; I533-F584 HydrophobicContact CB-CE1 4.14Å; I533-F584 HydrophobicContact CG2-CE1 3.84Å; A559-F584 HydrophobicContact CB-CE2 3.66Å; A559-F584 HydrophobicContact CB-CZ 4.23Å; H561-F584 HydrophobicContact CB-CB 4.08Å; H561-F584 HydrophobicContact CB-CD1 3.56Å; H561-F584 HydrophobicContact CB-CD2 3.56Å; H561-F584 HydrophobicContact CB-CE1 3.76Å; H561-F584 HydrophobicContact CB-CE2 3.73Å; H561-F584 HydrophobicContact CB-CG 3.44Å; H561-F584 VanDerWaalsContact CB-CG 3.44Å; H561-F584 HydrophobicContact CB-CZ 3.83Å; H561-F584 AromaticContact CG-CG 3.88Å; P580-F584 WeakPolarHBondContact O-CB 3.48Å; P580-F584 PolarHBondContact O-N 2.93Å; L581-F584 WeakPolarHBondContact O-CB 3.42Å; L581-F584 PolarHBondContact O-N 3.17Å; R582-F584 VanDerWaalsContact C-N 3.33Å; R582-F584 PolarHBondContact O-N 3.06Å; F584-N587 PolarHBondContact O-N 3.16Å; F584-C588 PolarHBondContact O-N 3.33Å; F584-C588 PolarHBondContact O-SG 3.48Å
585	L	97.9	Very high	94.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-44.1	179.2	-65.2	171.7	0	0	0	112	L432 T433 I436 F493 L581 R582 N587 C588 L589 L593	L432-L585 HydrophobicContact CD2-CD1 4.27Å; L432-L585 HydrophobicContact CD2-CD2 4.03Å; L432-L585 HydrophobicContact CG-CD1 4.16Å; L432-L585 HydrophobicContact CG-CD2 4.48Å; T433-L585 HydrophobicContact CG2-CD1 4.48Å; T433-L585 WeakPolarHBondContact OG1-CD1 3.4Å; I436-L585 HydrophobicContact CD1-CD1 4.15Å; I436-L585 HydrophobicContact CD1-CD2 4.01Å; F493-L585 HydrophobicContact CD1-CD2 4.18Å; F493-L585 HydrophobicContact CE1-CD2 3.7Å; F493-L585 HydrophobicContact CE2-CD2 4.45Å; F493-L585 HydrophobicContact CZ-CD2 3.86Å; L581-L585 HydrophobicContact CD1-CD1 4.1Å; L581-L585 HydrophobicContact CD1-CG 4.15Å; L581-L585 HydrophobicContact CG-CD1 4.04Å; L581-L585 HydrophobicContact CG-CG 4.48Å; L581-L585 VanDerWaalsContact O-CG 3.26Å; L581-L585 WeakPolarHBondContact O-CG 3.23Å; L581-L585 PolarHBondContact O-N 3.21Å; R582-L585 PolarHBondContact O-N 3.49Å; R582-L585 VanDerWaalsContact O-N 3.15Å; L585-N587 VanDerWaalsContact C-N 3.3Å; L585-N587 PolarHBondContact O-N 2.88Å; L585-C588 PolarHBondContact O-N 2.78Å; L585-L589 WeakPolarHBondContact O-CB 3.46Å; L585-L589 WeakPolarHBondContact O-CG 3.06Å; L585-L589 PolarHBondContact O-N 2.75Å; L585-L593 HydrophobicContact CB-CD1 3.67Å
586	E	96	Very high	94.2	Very high	20 Å²	20	42.8 Å²	42.8	9%	0.093	23%	0.225	C	C	.	.	H	α-helix	trans	-57	-44.3	175.2	-71.8	173.2	171.4	0	0	111	R582 R583 L589 D590 T591 L593	R582-E586 WeakPolarHBondContact CD-OE1 3.41Å; R582-E586 HydrophobicContact CG-CG 4.23Å; R582-E586 WeakPolarHBondContact CG-OE1 3.37Å; R582-E586 IonicContact NE-OE1 3.39Å; R582-E586 PolarHBondContact NE-OE1 3.29Å; R582-E586 WeakPolarHBondContact O-CB 3.42Å; R582-E586 VanDerWaalsContact O-CG 3.27Å; R582-E586 WeakPolarHBondContact O-CG 3.4Å; R582-E586 PolarHBondContact O-N 2.85Å; R583-E586 WeakPolarHBondContact CD-OE2 3.15Å; R583-E586 IonicContact CZ-OE2 3.57Å; R583-E586 IonicContact NE-OE2 3.86Å; R583-E586 IonicContact NH1-OE2 2.78Å; R583-E586 PolarHBondContact NH1-OE2 3.34Å; E586-L589 PolarHBondContact O-N 3.36Å; E586-D590 WeakPolarHBondContact O-CA 3.48Å; E586-D590 PolarHBondContact O-N 3.21Å; E586-T591 VanDerWaalsContact CA-O 3.31Å; E586-T591 WeakPolarHBondContact CA-O 3.47Å; E586-T591 WeakPolarHBondContact CB-O 3.04Å; E586-T591 WeakPolarHBondContact CG-O 3.4Å; E586-T591 PolarHBondContact O-N 3.43Å; E586-L593 HydrophobicContact CG-CB 3.97Å; E586-L593 HydrophobicContact CG-CD1 4.25Å; E586-L593 HydrophobicContact CG-CG 3.99Å; E586-L593 PolarHBondContact OE1-N 2.84Å
587	N	96.4	Very high	93.8	Very high	131 Å²	131	46.5 Å²	46.5	70%	0.701	23%	0.234	S	C	*	.	H	α-helix	trans	-66.2	-37.3	176.7	-177.7	65.2	0	0	0	112.9	R583 F584 L585	R583-N587 WeakPolarHBondContact O-CB 3.07Å; R583-N587 PolarHBondContact O-N 3.4Å; F584-N587 PolarHBondContact O-N 3.16Å; L585-N587 VanDerWaalsContact C-N 3.3Å; L585-N587 PolarHBondContact O-N 2.88Å
588	C	96.4	Very high	93.1	Very high	16 Å²	16	46.9 Å²	46.9	11%	0.108	24%	0.239	C	C	.	.	H	α-helix	trans	-70.1	-33.6	177.1	-67.2	0	0	0	0	112.7	F493 Y535 F584 L585	F493-C588 HydrophobicContact CE1-CB 3.88Å; F493-C588 HydrophobicContact CZ-CB 3.83Å; Y535-C588 HydrophobicContact CD1-CB 3.86Å; Y535-C588 HydrophobicContact CD2-CB 4.22Å; Y535-C588 HydrophobicContact CE1-CB 4.06Å; Y535-C588 HydrophobicContact CE2-CB 4.4Å; Y535-C588 HydrophobicContact CG-CB 3.96Å; F584-C588 PolarHBondContact O-N 3.33Å; F584-C588 PolarHBondContact O-SG 3.48Å; L585-C588 PolarHBondContact O-N 2.78Å
589	L	93.8	Very high	92.5	Very high	22 Å²	22	49.1 Å²	49.1	12%	0.115	25%	0.248	C	C	.	.	H	α-helix	trans	-97.8	-9	-174.8	-64.1	-180	0	0	0	114.3	I429 L432 L459 A463 F493 L585 E586 T591 L593	I429-L589 HydrophobicContact CD1-CD1 3.8Å; I429-L589 HydrophobicContact CG1-CD1 3.88Å; L432-L589 HydrophobicContact CD2-CD1 3.78Å; L459-L589 HydrophobicContact CD1-CD2 3.51Å; L459-L589 HydrophobicContact CD2-CD2 4Å; L459-L589 HydrophobicContact CG-CD2 4.42Å; A463-L589 HydrophobicContact CB-CD2 4.21Å; F493-L589 HydrophobicContact CE2-CD2 4.16Å; F493-L589 HydrophobicContact CZ-CD2 4.2Å; F493-L589 HydrophobicContact CZ-CG 4.34Å; L585-L589 WeakPolarHBondContact O-CB 3.46Å; L585-L589 WeakPolarHBondContact O-CG 3.06Å; L585-L589 PolarHBondContact O-N 2.75Å; E586-L589 PolarHBondContact O-N 3.36Å; L589-T591 HydrophobicContact CB-CG2 3.79Å; L589-T591 HydrophobicContact CD1-CG2 4.38Å; L589-T591 PolarHBondContact O-N 2.96Å; L589-L593 HydrophobicContact CD1-CD1 4.18Å; L589-L593 HydrophobicContact CD1-CD2 4.3Å
590	D	91.6	Very high	92.1	Very high	126 Å²	126	47.5 Å²	47.5	67%	0.674	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	46.6	-172	-174.9	50.7	0	0	0	111.8	E586 K610	E586-D590 WeakPolarHBondContact O-CA 3.48Å; E586-D590 PolarHBondContact O-N 3.21Å; D590-K610 PolarHBondContact O-NZ 3.48Å; D590-K610 IonicContact OD2-NZ 2.75Å
591	T	90.1	Very high	91.7	Very high	26 Å²	26	46 Å²	46	16%	0.16	23%	0.232	C	C	.	.	S	Bend	trans	-150.3	150	-177.8	-154.6	0	0	0	0	111.7	E586 L589 L593 P613	E586-T591 VanDerWaalsContact CA-O 3.31Å; E586-T591 WeakPolarHBondContact CA-O 3.47Å; E586-T591 WeakPolarHBondContact CB-O 3.04Å; E586-T591 WeakPolarHBondContact CG-O 3.4Å; E586-T591 PolarHBondContact O-N 3.43Å; L589-T591 HydrophobicContact CB-CG2 3.79Å; L589-T591 HydrophobicContact CD1-CG2 4.38Å; L589-T591 PolarHBondContact O-N 2.96Å; T591-L593 HydrophobicContact CG2-CD2 3.63Å; T591-L593 HydrophobicContact CG2-CG 4.1Å; T591-P613 HydrophobicContact CG2-CG 4.13Å; T591-P613 VanDerWaalsContact OG1-CD 3.25Å; T591-P613 WeakPolarHBondContact OG1-CD 3.18Å; T591-P613 WeakPolarHBondContact OG1-CG 3.46Å
592	D	90.6	Very high	91.2	Very high	29 Å²	29	51.1 Å²	51.1	16%	0.155	26%	0.255	C	S	.	.			trans	-86.1	112.9	178.2	-166.5	-29.7	0	0	0	109.5	R594 F596 P612 P613	D592-R594 VanDerWaalsContact C-N 3.34Å; D592-R594 VanDerWaalsContact OD1-CB 3.24Å; D592-R594 WeakPolarHBondContact OD1-CB 3.41Å; D592-R594 VanDerWaalsContact OD1-CG 3.24Å; D592-R594 WeakPolarHBondContact OD1-CG 3.42Å; D592-R594 IonicContact OD1-CZ 3.8Å; D592-R594 PolarHBondContact OD1-N 3.5Å; D592-R594 VanDerWaalsContact OD1-N 3.08Å; D592-R594 IonicContact OD1-NE 3.11Å; D592-R594 PolarHBondContact OD1-NE 3.46Å; D592-R594 IonicContact OD1-NH2 3.73Å; D592-R594 IonicContact OD2-CZ 2.95Å; D592-R594 IonicContact OD2-NE 3.99Å; D592-R594 PolarHBondContact OD2-NE 3.15Å; D592-R594 IonicContact OD2-NH2 3.57Å; D592-R594 PolarHBondContact OD2-NH2 3.48Å; D592-F596 WeakPolarHBondContact OD2-CZ 3.35Å; D592-P612 HydrophobicContact CB-CB 4.31Å; D592-P612 HydrophobicContact CB-CG 4.34Å; D592-P613 WeakPolarHBondContact O-CD 3.03Å
593	L	90.9	Very high	90.7	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.084	27%	0.273	C	S	.	.			trans	-93.1	6.1	-175.8	-65.2	178.7	0	0	0	112.7	I429 R582 L585 E586 L589 T591	I429-L593 HydrophobicContact CG1-CD2 4.12Å; R582-L593 HydrophobicContact CG-CB 4.43Å; L585-L593 HydrophobicContact CB-CD1 3.67Å; E586-L593 HydrophobicContact CG-CB 3.97Å; E586-L593 HydrophobicContact CG-CD1 4.25Å; E586-L593 HydrophobicContact CG-CG 3.99Å; E586-L593 PolarHBondContact OE1-N 2.84Å; L589-L593 HydrophobicContact CD1-CD1 4.18Å; L589-L593 HydrophobicContact CD1-CD2 4.3Å; T591-L593 HydrophobicContact CG2-CD2 3.63Å; T591-L593 HydrophobicContact CG2-CG 4.1Å
594	R	89.2	Confident	90.3	Very high	60 Å²	60	50.1 Å²	50.1	23%	0.226	26%	0.258	C	S	.	.			trans	-66.8	152.7	178.4	-65.7	-179.2	-69.3	169.7	2.9	111.9	D592 F596 F614 E683	D592-R594 VanDerWaalsContact C-N 3.34Å; D592-R594 VanDerWaalsContact OD1-CB 3.24Å; D592-R594 WeakPolarHBondContact OD1-CB 3.41Å; D592-R594 VanDerWaalsContact OD1-CG 3.24Å; D592-R594 WeakPolarHBondContact OD1-CG 3.42Å; D592-R594 IonicContact OD1-CZ 3.8Å; D592-R594 PolarHBondContact OD1-N 3.5Å; D592-R594 VanDerWaalsContact OD1-N 3.08Å; D592-R594 IonicContact OD1-NE 3.11Å; D592-R594 PolarHBondContact OD1-NE 3.46Å; D592-R594 IonicContact OD1-NH2 3.73Å; D592-R594 IonicContact OD2-CZ 2.95Å; D592-R594 IonicContact OD2-NE 3.99Å; D592-R594 PolarHBondContact OD2-NE 3.15Å; D592-R594 IonicContact OD2-NH2 3.57Å; D592-R594 PolarHBondContact OD2-NH2 3.48Å; R594-F596 HydrophobicContact CB-CD2 4.38Å; R594-F596 HydrophobicContact CB-CE1 4.28Å; R594-F596 HydrophobicContact CB-CE2 3.7Å; R594-F596 HydrophobicContact CB-CZ 3.66Å; R594-F596 WeakPolarHBondContact O-CD2 3.16Å; R594-F596 WeakPolarHBondContact O-CE2 3.22Å; R594-F614 WeakPolarHBondContact O-CB 3.41Å; R594-E683 IonicContact NH1-OE1 2.96Å
595	S	85.8	Confident	89.8	Confident	89 Å²	89	51 Å²	51	62%	0.622	27%	0.27	S	S	*	.			trans	-84	139.6	165	-62.1	0	0	0	0	108.7
596	F	86.1	Confident	89.4	Confident	19 Å²	19	57 Å²	57	8%	0.083	30%	0.301	C	S	.	.			trans	-129.4	148.9	-175.3	-69.1	-76.4	0	0	0	110.9	D592 R594 F604 P612 F614	D592-F596 WeakPolarHBondContact OD2-CZ 3.35Å; R594-F596 HydrophobicContact CB-CD2 4.38Å; R594-F596 HydrophobicContact CB-CE1 4.28Å; R594-F596 HydrophobicContact CB-CE2 3.7Å; R594-F596 HydrophobicContact CB-CZ 3.66Å; R594-F596 WeakPolarHBondContact O-CD2 3.16Å; R594-F596 WeakPolarHBondContact O-CE2 3.22Å; F596-F604 AromaticContact CD1-CE2 3.65Å; F596-F604 HydrophobicContact CD1-CE2 3.65Å; F596-F604 HydrophobicContact CD1-CZ 4.24Å; F596-F604 HydrophobicContact CD2-CE2 4.34Å; F596-F604 AromaticContact CE1-CE2 3.59Å; F596-F604 HydrophobicContact CE1-CE2 3.59Å; F596-F604 AromaticContact CE1-CZ 3.96Å; F596-F604 HydrophobicContact CE1-CZ 3.96Å; F596-F604 HydrophobicContact CE2-CE2 4.3Å; F596-F604 HydrophobicContact CG-CE2 4.02Å; F596-F604 AromaticContact CZ-CE2 3.92Å; F596-F604 HydrophobicContact CZ-CE2 3.92Å; F596-F604 HydrophobicContact CZ-CZ 4.49Å; F596-P612 HydrophobicContact CD2-CB 4.04Å; F596-P612 HydrophobicContact CD2-CG 4.12Å; F596-P612 HydrophobicContact CE2-CB 3.71Å; F596-P612 HydrophobicContact CE2-CG 3.67Å; F596-P612 HydrophobicContact CZ-CG 4.35Å; F596-F614 HydrophobicContact CB-CD1 4.32Å; F596-F614 WeakPolarHBondContact O-CE1 3.39Å
597	Y	85.4	Confident	89.1	Confident	97 Å²	97	60.3 Å²	60.3	38%	0.38	32%	0.323	S	S	.	.			trans	-71.2	160.3	170.4	-65.4	-85.8	0	0	0	111.4	E599 S600 C601 V626 T628	Y597-E599 PolarHBondContact O-N 2.9Å; Y597-S600 PolarHBondContact O-N 3.36Å; Y597-C601 PolarHBondContact O-N 3.25Å; Y597-V626 HydrophobicContact CD1-CB 3.8Å; Y597-V626 HydrophobicContact CD1-CG1 3.69Å; Y597-V626 WeakPolarHBondContact CD1-O 3.27Å; Y597-V626 HydrophobicContact CE1-CB 4Å; Y597-V626 HydrophobicContact CE1-CG1 3.39Å; Y597-T628 VanDerWaalsContact CB-CG2 3.44Å; Y597-T628 HydrophobicContact CD1-CG2 3.95Å; Y597-T628 HydrophobicContact CG-CG2 3.78Å
598	A	83.6	Confident	88.5	Confident	17 Å²	17	60.4 Å²	60.4	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-56.4	-38.4	-179.8	0	0	0	0	0	113.3	C601 F602 Y619 L625 V626 L631	A598-C601 PolarHBondContact O-N 2.93Å; A598-F602 WeakPolarHBondContact O-CB 3.14Å; A598-F602 PolarHBondContact O-N 3.5Å; A598-Y619 HydrophobicContact CB-CD2 4.37Å; A598-Y619 HydrophobicContact CB-CE2 4.49Å; A598-L625 HydrophobicContact CB-CB 3.98Å; A598-L625 HydrophobicContact CB-CD1 4.15Å; A598-V626 PolarHBondContact N-O 2.85Å; A598-L631 HydrophobicContact CB-CD1 3.59Å
599	E	84.9	Confident	87.8	Confident	102 Å²	102	69.7 Å²	69.7	48%	0.477	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-46.3	177.5	-175.1	171.3	-178	0	0	112.1	Y597 C601 F602 L603 T628 S630 L631	Y597-E599 PolarHBondContact O-N 2.9Å; E599-C601 VanDerWaalsContact C-N 3.33Å; E599-C601 PolarHBondContact O-N 2.04Å; E599-F602 WeakPolarHBondContact O-CB 3.48Å; E599-F602 PolarHBondContact O-N 3.26Å; E599-L603 PolarHBondContact O-N 3.44Å; E599-T628 HydrophobicContact CB-CG2 3.97Å; E599-S630 PolarHBondContact OE2-OG 3.25Å; E599-L631 HydrophobicContact CB-CD1 4.21Å
600	S	88.2	Confident	87.4	Confident	33 Å²	33	74.5 Å²	74.5	23%	0.231	38%	0.375	C	S	.	.	H	α-helix	trans	-62.9	-41.8	176.7	-40.5	0	0	0	0	111.3	Y597 L603 F604	Y597-S600 PolarHBondContact O-N 3.36Å; S600-L603 PolarHBondContact O-N 3.12Å; S600-F604 WeakPolarHBondContact O-CB 3.44Å; S600-F604 VanDerWaalsContact O-CD2 3.27Å; S600-F604 WeakPolarHBondContact O-CD2 3.27Å; S600-F604 WeakPolarHBondContact O-CG 3.3Å; S600-F604 PolarHBondContact O-N 2.94Å
601	C	88	Confident	87.2	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-39.5	176.5	-74	0	0	0	0	112.7	Y597 A598 E599 F604 A605 C615 Y619 L625	Y597-C601 PolarHBondContact O-N 3.25Å; A598-C601 PolarHBondContact O-N 2.93Å; E599-C601 VanDerWaalsContact C-N 3.33Å; E599-C601 PolarHBondContact O-N 2.04Å; C601-F604 PolarHBondContact O-N 2.96Å; C601-A605 WeakPolarHBondContact O-CB 3.43Å; C601-A605 PolarHBondContact O-N 3.45Å; C601-C615 WeakPolarHBondContact CA-SG 3.32Å; C601-C615 HydrophobicContact CB-CB 3.61Å; C601-C615 WeakPolarHBondContact CB-SG 3.41Å; C601-C615 WeakPolarHBondContact SG-CA 3.27Å; C601-C615 WeakPolarHBondContact SG-CB 3.19Å; C601-C615 CovalentContact SG-SG 2.04Å; C601-C615 PolarHBondContact SG-SG 3.41Å; C601-Y619 HydrophobicContact CB-CD1 4.31Å; C601-Y619 HydrophobicContact CB-CD2 4.38Å; C601-Y619 HydrophobicContact CB-CG 3.95Å; C601-L625 HydrophobicContact CB-CD1 3.93Å
602	F	86.9	Confident	87.1	Confident	107 Å²	107	68.7 Å²	68.7	47%	0.469	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-48.6	173.6	177.1	-114.7	0	0	0	111.2	A598 E599 F604 A605 L606 Y619	A598-F602 WeakPolarHBondContact O-CB 3.14Å; A598-F602 PolarHBondContact O-N 3.5Å; E599-F602 WeakPolarHBondContact O-CB 3.48Å; E599-F602 PolarHBondContact O-N 3.26Å; F602-F604 VanDerWaalsContact C-N 3.34Å; F602-F604 PolarHBondContact O-N 3.12Å; F602-A605 WeakPolarHBondContact O-CB 3.25Å; F602-A605 PolarHBondContact O-N 3.5Å; F602-A605 VanDerWaalsContact O-N 3.15Å; F602-L606 HydrophobicContact CD1-CD1 4.36Å; F602-L606 HydrophobicContact CE1-CD1 3.8Å; F602-L606 HydrophobicContact CE2-CD1 4.11Å; F602-L606 HydrophobicContact CE2-CG 4.47Å; F602-L606 HydrophobicContact CZ-CD1 3.68Å; F602-L606 PolarHBondContact O-N 2.99Å; F602-Y619 HydrophobicContact CB-CE1 4.26Å; F602-Y619 HydrophobicContact CB-CE2 4.4Å; F602-Y619 HydrophobicContact CD2-CE1 4.31Å; F602-Y619 WeakPolarHBondContact CD2-OH 3.48Å
603	L	87.8	Confident	87	Confident	96 Å²	96	67.5 Å²	67.5	50%	0.503	34%	0.337	S	S	.	.	H	α-helix	trans	-58.2	-45.9	176.4	178.5	62.9	0	0	0	111.6	E599 S600 A605 L606 T607	E599-L603 PolarHBondContact O-N 3.44Å; S600-L603 PolarHBondContact O-N 3.12Å; L603-A605 VanDerWaalsContact C-N 3.3Å; L603-A605 PolarHBondContact O-N 2.9Å; L603-L606 PolarHBondContact O-N 3.14Å; L603-T607 HydrophobicContact CD1-CG2 3.79Å; L603-T607 HydrophobicContact CG-CG2 4.41Å; L603-T607 WeakPolarHBondContact O-CB 3.41Å; L603-T607 WeakPolarHBondContact O-CG2 3.48Å; L603-T607 PolarHBondContact O-N 2.63Å; L603-T607 PolarHBondContact O-OG1 2.92Å
604	F	89.4	Confident	86.8	Confident	25 Å²	25	68.6 Å²	68.6	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-37.8	177.5	-63.7	-25.2	0	0	0	112.1	F596 S600 C601 F602 L606 T607 R608 L611 P612	F596-F604 AromaticContact CD1-CE2 3.65Å; F596-F604 HydrophobicContact CD1-CE2 3.65Å; F596-F604 HydrophobicContact CD1-CZ 4.24Å; F596-F604 HydrophobicContact CD2-CE2 4.34Å; F596-F604 AromaticContact CE1-CE2 3.59Å; F596-F604 HydrophobicContact CE1-CE2 3.59Å; F596-F604 AromaticContact CE1-CZ 3.96Å; F596-F604 HydrophobicContact CE1-CZ 3.96Å; F596-F604 HydrophobicContact CE2-CE2 4.3Å; F596-F604 HydrophobicContact CG-CE2 4.02Å; F596-F604 AromaticContact CZ-CE2 3.92Å; F596-F604 HydrophobicContact CZ-CE2 3.92Å; F596-F604 HydrophobicContact CZ-CZ 4.49Å; S600-F604 WeakPolarHBondContact O-CB 3.44Å; S600-F604 VanDerWaalsContact O-CD2 3.27Å; S600-F604 WeakPolarHBondContact O-CD2 3.27Å; S600-F604 WeakPolarHBondContact O-CG 3.3Å; S600-F604 PolarHBondContact O-N 2.94Å; C601-F604 PolarHBondContact O-N 2.96Å; F602-F604 VanDerWaalsContact C-N 3.34Å; F602-F604 PolarHBondContact O-N 3.12Å; F604-L606 PolarHBondContact O-N 2.98Å; F604-T607 PolarHBondContact O-N 2.94Å; F604-R608 WeakPolarHBondContact O-CB 3.12Å; F604-R608 PolarHBondContact O-N 3.01Å; F604-L611 HydrophobicContact CB-CD2 3.55Å; F604-L611 WeakPolarHBondContact O-CD2 3.49Å; F604-P612 HydrophobicContact CD2-CG 4Å; F604-P612 HydrophobicContact CE2-CG 4.3Å
605	A	86.9	Confident	86.7	Confident	40 Å²	40	65.8 Å²	65.8	33%	0.331	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-26.7	178.9	0	0	0	0	0	112.5	C601 F602 L603 L611	C601-A605 WeakPolarHBondContact O-CB 3.43Å; C601-A605 PolarHBondContact O-N 3.45Å; F602-A605 WeakPolarHBondContact O-CB 3.25Å; F602-A605 PolarHBondContact O-N 3.5Å; F602-A605 VanDerWaalsContact O-N 3.15Å; L603-A605 VanDerWaalsContact C-N 3.3Å; L603-A605 PolarHBondContact O-N 2.9Å; A605-L611 VanDerWaalsContact CA-CD2 3.46Å; A605-L611 HydrophobicContact CB-CD1 4.06Å; A605-L611 HydrophobicContact CB-CD2 4.08Å; A605-L611 VanDerWaalsContact N-CD2 3.27Å
606	L	88.6	Confident	86.7	Confident	125 Å²	125	64.5 Å²	64.5	65%	0.654	32%	0.315	S	S	*	.	H	α-helix	trans	-89.2	-27	176.2	-61.6	178.3	0	0	0	113.5	F602 L603 F604	F602-L606 HydrophobicContact CD1-CD1 4.36Å; F602-L606 HydrophobicContact CE1-CD1 3.8Å; F602-L606 HydrophobicContact CE2-CD1 4.11Å; F602-L606 HydrophobicContact CE2-CG 4.47Å; F602-L606 HydrophobicContact CZ-CD1 3.68Å; F602-L606 PolarHBondContact O-N 2.99Å; L603-L606 PolarHBondContact O-N 3.14Å; F604-L606 PolarHBondContact O-N 2.98Å
607	T	90	Very high	86.4	Confident	90 Å²	90	64.9 Å²	64.9	55%	0.552	32%	0.317	S	S	*	.	H	α-helix	trans	-111.4	-14.7	-168	57.3	0	0	0	0	114.7	L603 F604	L603-T607 HydrophobicContact CD1-CG2 3.79Å; L603-T607 HydrophobicContact CG-CG2 4.41Å; L603-T607 WeakPolarHBondContact O-CB 3.41Å; L603-T607 WeakPolarHBondContact O-CG2 3.48Å; L603-T607 PolarHBondContact O-N 2.63Å; L603-T607 PolarHBondContact O-OG1 2.92Å; F604-T607 PolarHBondContact O-N 2.94Å
608	R	85.4	Confident	85.9	Confident	133 Å²	133	60.8 Å²	60.8	50%	0.502	30%	0.304	S	S	.	.			trans	-126.1	142.4	-174.8	-59.2	-166.1	177.8	-160.3	0.8	112.1	F604	F604-R608 WeakPolarHBondContact O-CB 3.12Å; F604-R608 PolarHBondContact O-N 3.01Å
609	Q	81.8	Confident	85.6	Confident	211 Å²	211	63.7 Å²	63.7	99%	0.986	31%	0.312	S	S	*	.	S	Bend	trans	-74.4	-32.8	175.8	-66.6	-176.8	-5.8	0	0	113
610	K	83.9	Confident	85.2	Confident	124 Å²	124	63.5 Å²	63.5	54%	0.539	31%	0.314	S	S	.	.	S	Bend	trans	-116.2	115.5	178.2	-170.6	-177.4	-176.2	-173.7	0	109	D590	D590-K610 PolarHBondContact O-NZ 3.48Å; D590-K610 IonicContact OD2-NZ 2.75Å
611	L	87.4	Confident	84.6	Confident	23 Å²	23	69.6 Å²	69.6	12%	0.12	33%	0.332	C	S	.	.			trans	-82.8	145.9	177.6	-73.5	171.7	0	0	0	111.4	F604 A605 Q616 L620	F604-L611 HydrophobicContact CB-CD2 3.55Å; F604-L611 WeakPolarHBondContact O-CD2 3.49Å; A605-L611 VanDerWaalsContact CA-CD2 3.46Å; A605-L611 HydrophobicContact CB-CD1 4.06Å; A605-L611 HydrophobicContact CB-CD2 4.08Å; A605-L611 VanDerWaalsContact N-CD2 3.27Å; L611-Q616 HydrophobicContact CB-CG 3.67Å; L611-Q616 PolarHBondContact O-NE2 3.23Å; L611-L620 HydrophobicContact CD1-CD1 3.44Å; L611-L620 VanDerWaalsContact CD1-CD1 3.44Å; L611-L620 HydrophobicContact CD1-CG 4.3Å
612	P	88.6	Confident	83.6	Confident	6 Å²	6	78 Å²	78	4%	0.039	37%	0.373	C	S	.	.			trans	-56.2	141.5	169	-24.8	34.6	0	0	0	111.4	D592 F596 F604 F614 C615 Q616	D592-P612 HydrophobicContact CB-CB 4.31Å; D592-P612 HydrophobicContact CB-CG 4.34Å; F596-P612 HydrophobicContact CD2-CB 4.04Å; F596-P612 HydrophobicContact CD2-CG 4.12Å; F596-P612 HydrophobicContact CE2-CB 3.71Å; F596-P612 HydrophobicContact CE2-CG 3.67Å; F596-P612 HydrophobicContact CZ-CG 4.35Å; F604-P612 HydrophobicContact CD2-CG 4Å; F604-P612 HydrophobicContact CE2-CG 4.3Å; P612-F614 PolarHBondContact O-N 3.42Å; P612-F614 VanDerWaalsContact O-N 3.12Å; P612-C615 PolarHBondContact O-N 3.31Å; P612-Q616 PolarHBondContact O-N 2.87Å; P612-Q616 VanDerWaalsContact O-N 3.12Å
613	P	88.6	Confident	82.5	Confident	4 Å²	4	79.8 Å²	79.8	3%	0.026	38%	0.383	C	S	.	.	H	α-helix	trans	-53.2	-35.1	179.7	-29.1	36.1	0	0	0	113.4	I429 T430 M464 T591 D592 C615 Q616 Q617	I429-P613 HydrophobicContact CG2-CB 3.59Å; I429-P613 HydrophobicContact CG2-CG 3.98Å; T430-P613 HydrophobicContact CG2-CB 4.16Å; M464-P613 HydrophobicContact CE-CB 4.14Å; M464-P613 HydrophobicContact SD-CB 4.22Å; M464-P613 HydrophobicContact SD-CG 4.35Å; T591-P613 HydrophobicContact CG2-CG 4.13Å; T591-P613 VanDerWaalsContact OG1-CD 3.25Å; T591-P613 WeakPolarHBondContact OG1-CD 3.18Å; T591-P613 WeakPolarHBondContact OG1-CG 3.46Å; D592-P613 WeakPolarHBondContact O-CD 3.03Å; P613-C615 PolarHBondContact O-N 2.98Å; P613-Q616 PolarHBondContact O-N 3.35Å; P613-Q617 WeakPolarHBondContact O-CB 3.41Å; P613-Q617 WeakPolarHBondContact O-CG 3.29Å; P613-Q617 PolarHBondContact O-N 3.04Å
614	F	86.9	Confident	81.3	Confident	39 Å²	39	78 Å²	78	17%	0.171	39%	0.388	C	S	.	.	H	α-helix	trans	-58.6	-47.2	175.5	-172.4	-90.8	0	0	0	112.7	T430 R594 F596 P612 Q616 Q617 G618 L625	T430-F614 HydrophobicContact CG2-CB 4.04Å; T430-F614 HydrophobicContact CG2-CD2 4.28Å; R594-F614 WeakPolarHBondContact O-CB 3.41Å; F596-F614 HydrophobicContact CB-CD1 4.32Å; F596-F614 WeakPolarHBondContact O-CE1 3.39Å; P612-F614 PolarHBondContact O-N 3.42Å; P612-F614 VanDerWaalsContact O-N 3.12Å; F614-Q616 PolarHBondContact O-N 3.08Å; F614-Q617 PolarHBondContact O-N 3.11Å; F614-G618 PolarHBondContact O-N 3.34Å; F614-L625 HydrophobicContact CD1-CD2 4.14Å; F614-L625 HydrophobicContact CE1-CD2 3.45Å; F614-L625 VanDerWaalsContact CE1-CD2 3.45Å; F614-L625 HydrophobicContact CZ-CD2 3.93Å
615	C	87.4	Confident	80.2	Confident	1 Å²	1	78.7 Å²	78.7	1%	0.007	39%	0.393	C	S	.	.	H	α-helix	trans	-66.1	-38.6	176.5	-61.8	0	0	0	0	111.8	C601 P612 P613 Y619 L620	C601-C615 WeakPolarHBondContact CA-SG 3.32Å; C601-C615 HydrophobicContact CB-CB 3.61Å; C601-C615 WeakPolarHBondContact CB-SG 3.41Å; C601-C615 WeakPolarHBondContact SG-CA 3.27Å; C601-C615 WeakPolarHBondContact SG-CB 3.19Å; C601-C615 CovalentContact SG-SG 2.04Å; C601-C615 PolarHBondContact SG-SG 3.41Å; P612-C615 PolarHBondContact O-N 3.31Å; P613-C615 PolarHBondContact O-N 2.98Å; C615-Y619 WeakPolarHBondContact O-CA 3.17Å; C615-Y619 VanDerWaalsContact O-CB 3.22Å; C615-Y619 WeakPolarHBondContact O-CB 3.27Å; C615-Y619 PolarHBondContact O-N 2.88Å; C615-L620 PolarHBondContact O-N 2.93Å; C615-L620 VanDerWaalsContact O-N 3.09Å
616	Q	84.8	Confident	79	Confident	62 Å²	62	80.5 Å²	80.5	29%	0.29	40%	0.399	S	S	.	.	H	α-helix	trans	-66.5	-41.9	178.4	-62.3	-177.1	19.9	0	0	112.7	M464 L611 P612 P613 F614 L620	M464-Q616 HydrophobicContact CE-CB 4.25Å; M464-Q616 VanDerWaalsContact CE-OE1 3.24Å; L611-Q616 HydrophobicContact CB-CG 3.67Å; L611-Q616 PolarHBondContact O-NE2 3.23Å; P612-Q616 PolarHBondContact O-N 2.87Å; P612-Q616 VanDerWaalsContact O-N 3.12Å; P613-Q616 PolarHBondContact O-N 3.35Å; F614-Q616 PolarHBondContact O-N 3.08Å; Q616-L620 HydrophobicContact CG-CD1 4.5Å
617	Q	79.4	Confident	77.7	Confident	27 Å²	27	77.3 Å²	77.3	13%	0.126	39%	0.387	C	S	.	.	H	α-helix	trans	-82.6	-30.3	-175.5	-68.9	177.7	-11.8	0	0	112.5	T430 M464 P613 F614 R621 Q623	T430-Q617 PolarHBondContact OG1-OE1 3.2Å; M464-Q617 HydrophobicContact CE-CG 4.02Å; M464-Q617 PolarHBondContact O-NE2 3.33Å; P613-Q617 WeakPolarHBondContact O-CB 3.41Å; P613-Q617 WeakPolarHBondContact O-CG 3.29Å; P613-Q617 PolarHBondContact O-N 3.04Å; F614-Q617 PolarHBondContact O-N 3.11Å; Q617-R621 WeakPolarHBondContact O-CB 3.18Å; Q617-Q623 PolarHBondContact O-OE1 3.45Å
618	G	75.6	Confident	76.7	Confident	11 Å²	11	73.9 Å²	73.9	11%	0.113	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-69.6	178.4	0	0	0	0	0	113.8	F614 R621 M622 Q623	F614-G618 PolarHBondContact O-N 3.34Å; G618-R621 PolarHBondContact O-N 2.75Å; G618-M622 PolarHBondContact O-N 3.49Å; G618-Q623 PolarHBondContact O-N 3.38Å
619	Y	76.5	Confident	76	Confident	79 Å²	79	74.7 Å²	74.7	31%	0.31	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-56.6	-174.2	-171.1	-113.6	0	0	0	112	A598 C601 F602 C615 R621 M622 L625	A598-Y619 HydrophobicContact CB-CD2 4.37Å; A598-Y619 HydrophobicContact CB-CE2 4.49Å; C601-Y619 HydrophobicContact CB-CD1 4.31Å; C601-Y619 HydrophobicContact CB-CD2 4.38Å; C601-Y619 HydrophobicContact CB-CG 3.95Å; F602-Y619 HydrophobicContact CB-CE1 4.26Å; F602-Y619 HydrophobicContact CB-CE2 4.4Å; F602-Y619 HydrophobicContact CD2-CE1 4.31Å; F602-Y619 WeakPolarHBondContact CD2-OH 3.48Å; C615-Y619 WeakPolarHBondContact O-CA 3.17Å; C615-Y619 VanDerWaalsContact O-CB 3.22Å; C615-Y619 WeakPolarHBondContact O-CB 3.27Å; C615-Y619 PolarHBondContact O-N 2.88Å; Y619-R621 VanDerWaalsContact C-N 3.26Å; Y619-R621 PolarHBondContact O-N 3.39Å; Y619-M622 PolarHBondContact O-N 2.81Å; Y619-M622 VanDerWaalsContact O-N 3.15Å; Y619-L625 VanDerWaalsContact CB-CD1 3.49Å; Y619-L625 HydrophobicContact CD2-CD1 3.95Å; Y619-L625 HydrophobicContact CG-CD1 4.14Å
620	L	76.3	Confident	75.4	Confident	97 Å²	97	67.2 Å²	67.2	51%	0.508	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.2	-173	-66.7	-178.2	0	0	0	113.6	L611 C615 Q616	L611-L620 HydrophobicContact CD1-CD1 3.44Å; L611-L620 VanDerWaalsContact CD1-CD1 3.44Å; L611-L620 HydrophobicContact CD1-CG 4.3Å; C615-L620 PolarHBondContact O-N 2.93Å; C615-L620 VanDerWaalsContact O-N 3.09Å; Q616-L620 HydrophobicContact CG-CD1 4.5Å
621	R	76.3	Confident	74.6	Confident	161 Å²	161	64.5 Å²	64.5	61%	0.608	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	7.2	175.5	-65.5	-176.9	178.3	-168.6	-3.4	113.2	Q617 G618 Y619 Q623	Q617-R621 WeakPolarHBondContact O-CB 3.18Å; G618-R621 PolarHBondContact O-N 2.75Å; Y619-R621 VanDerWaalsContact C-N 3.26Å; Y619-R621 PolarHBondContact O-N 3.39Å; R621-Q623 HydrophobicContact CB-CG 3.99Å; R621-Q623 PolarHBondContact O-N 3.02Å; R621-Q623 VanDerWaalsContact O-N 3.16Å
622	M	66.9	Low	73.5	Confident	176 Å²	176	71.8 Å²	71.8	87%	0.867	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	27.7	-177.7	-55	-169.8	-67.3	0	0	114	G618 Y619 G624	G618-M622 PolarHBondContact O-N 3.49Å; Y619-M622 PolarHBondContact O-N 2.81Å; Y619-M622 VanDerWaalsContact O-N 3.15Å; M622-G624 PolarHBondContact O-N 2.76Å
623	Q	63.8	Low	72.7	Confident	145 Å²	145	76.5 Å²	76.5	68%	0.678	39%	0.386	S	S	*	.	S	Bend	trans	-84.3	14	-176.2	-67	-169.5	-19.7	0	0	113.7	Q617 G618 R621	Q617-Q623 PolarHBondContact O-OE1 3.45Å; G618-Q623 PolarHBondContact O-N 3.38Å; R621-Q623 HydrophobicContact CB-CG 3.99Å; R621-Q623 PolarHBondContact O-N 3.02Å; R621-Q623 VanDerWaalsContact O-N 3.16Å
624	G	62.2	Low	71.8	Confident	60 Å²	60	82 Å²	82	62%	0.619	41%	0.411	S	S	*	.			trans	76	135.2	-175.1	0	0	0	0	0	111.6	M622	M622-G624 PolarHBondContact O-N 2.76Å
625	L	66	Low	70.7	Confident	38 Å²	38	86.5 Å²	86.5	20%	0.199	43%	0.426	C	S	.	.			trans	-121.2	168.5	172.9	-77.6	-164.4	0	0	0	109.8	A598 C601 F614 Y619 S627	A598-L625 HydrophobicContact CB-CB 3.98Å; A598-L625 HydrophobicContact CB-CD1 4.15Å; C601-L625 HydrophobicContact CB-CD1 3.93Å; F614-L625 HydrophobicContact CD1-CD2 4.14Å; F614-L625 HydrophobicContact CE1-CD2 3.45Å; F614-L625 VanDerWaalsContact CE1-CD2 3.45Å; F614-L625 HydrophobicContact CZ-CD2 3.93Å; Y619-L625 VanDerWaalsContact CB-CD1 3.49Å; Y619-L625 HydrophobicContact CD2-CD1 3.95Å; Y619-L625 HydrophobicContact CG-CD1 4.14Å; L625-S627 PolarHBondContact O-N 3.25Å; L625-S627 VanDerWaalsContact O-N 3.11Å
626	V	62.2	Low	69.8	Low	78 Å²	78	88.4 Å²	88.4	47%	0.473	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-60.2	117.4	169.7	-162.8	0	0	0	0	107.9	Y597 A598	Y597-V626 HydrophobicContact CD1-CB 3.8Å; Y597-V626 HydrophobicContact CD1-CG1 3.69Å; Y597-V626 WeakPolarHBondContact CD1-O 3.27Å; Y597-V626 HydrophobicContact CE1-CB 4Å; Y597-V626 HydrophobicContact CE1-CG1 3.39Å; A598-V626 PolarHBondContact N-O 2.85Å
627	S	61.7	Low	69.4	Low	58 Å²	58	92.5 Å²	92.5	41%	0.406	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-73.1	135.8	179	-174.4	0	0	0	0	109.2	L625	L625-S627 PolarHBondContact O-N 3.25Å; L625-S627 VanDerWaalsContact O-N 3.11Å
628	T	68.8	Low	69	Low	19 Å²	19	93.5 Å²	93.5	12%	0.117	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-73.2	161.7	163.4	56.7	0	0	0	0	109.8	Y597 E599 S630 L631 R632	Y597-T628 VanDerWaalsContact CB-CG2 3.44Å; Y597-T628 HydrophobicContact CD1-CG2 3.95Å; Y597-T628 HydrophobicContact CG-CG2 3.78Å; E599-T628 HydrophobicContact CB-CG2 3.97Å; T628-S630 VanDerWaalsContact C-N 3.3Å; T628-S630 PolarHBondContact OG1-OG 3.4Å; T628-L631 PolarHBondContact O-N 3.4Å; T628-L631 VanDerWaalsContact OG1-CB 3.29Å; T628-L631 WeakPolarHBondContact OG1-CB 3.48Å; T628-L631 WeakPolarHBondContact OG1-CD1 3.37Å; T628-L631 WeakPolarHBondContact OG1-CG 3.34Å; T628-L631 PolarHBondContact OG1-N 3.09Å; T628-L631 VanDerWaalsContact OG1-N 3.12Å; T628-R632 WeakPolarHBondContact O-CB 3.31Å; T628-R632 PolarHBondContact O-N 3.23Å
629	E	71	Confident	68.5	Low	150 Å²	150	103.7 Å²	103.7	70%	0.701	50%	0.502	S	S	*	.	H	α-helix	trans	-62.9	-38.6	173.1	-171	168.7	-169.3	0	0	111.4	R632 Q633	E629-R632 WeakPolarHBondContact O-CB 3.48Å; E629-R632 PolarHBondContact O-N 2.8Å; E629-Q633 WeakPolarHBondContact O-CB 3.48Å; E629-Q633 WeakPolarHBondContact O-CG 3.43Å; E629-Q633 PolarHBondContact O-N 3.18Å
630	S	69.8	Low	67.7	Low	54 Å²	54	106 Å²	106	38%	0.378	52%	0.519	S	S	.	.	H	α-helix	trans	-59.3	-45.9	173.2	58.7	0	0	0	0	112.4	E599 T628 R632 Q633 H634	E599-S630 PolarHBondContact OE2-OG 3.25Å; T628-S630 VanDerWaalsContact C-N 3.3Å; T628-S630 PolarHBondContact OG1-OG 3.4Å; S630-R632 VanDerWaalsContact C-N 3.32Å; S630-R632 PolarHBondContact O-N 3.28Å; S630-Q633 PolarHBondContact O-N 3.41Å; S630-H634 WeakPolarHBondContact O-CB 3.48Å; S630-H634 PolarHBondContact O-N 3.11Å
631	L	66.8	Low	66.5	Low	66 Å²	66	105.5 Å²	105.5	35%	0.346	52%	0.516	S	S	.	.	H	α-helix	trans	-68.9	-32.5	176.4	-75.5	170	0	0	0	111.9	A598 E599 T628 R635	A598-L631 HydrophobicContact CB-CD1 3.59Å; E599-L631 HydrophobicContact CB-CD1 4.21Å; T628-L631 PolarHBondContact O-N 3.4Å; T628-L631 VanDerWaalsContact OG1-CB 3.29Å; T628-L631 WeakPolarHBondContact OG1-CB 3.48Å; T628-L631 WeakPolarHBondContact OG1-CD1 3.37Å; T628-L631 WeakPolarHBondContact OG1-CG 3.34Å; T628-L631 PolarHBondContact OG1-N 3.09Å; T628-L631 VanDerWaalsContact OG1-N 3.12Å; L631-R635 VanDerWaalsContact O-CB 3.25Å; L631-R635 WeakPolarHBondContact O-CB 3.41Å; L631-R635 PolarHBondContact O-N 3.27Å
632	R	64.3	Low	65.2	Low	177 Å²	177	108.5 Å²	108.5	67%	0.668	53%	0.528	S	S	*	.	H	α-helix	trans	-67.4	-46.5	174.1	-171.8	178.5	174.7	163.4	-1.9	110.6	T628 E629 S630 R635 V636	T628-R632 WeakPolarHBondContact O-CB 3.31Å; T628-R632 PolarHBondContact O-N 3.23Å; E629-R632 WeakPolarHBondContact O-CB 3.48Å; E629-R632 PolarHBondContact O-N 2.8Å; S630-R632 VanDerWaalsContact C-N 3.32Å; S630-R632 PolarHBondContact O-N 3.28Å; R632-R635 WeakPolarHBondContact O-CB 3.29Å; R632-R635 PolarHBondContact O-N 3.09Å; R632-V636 WeakPolarHBondContact O-CG2 3.42Å; R632-V636 PolarHBondContact O-N 3.11Å
633	Q	71	Confident	64.1	Low	105 Å²	105	106 Å²	106	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-60	-48.9	174.4	-75.6	173.7	-8.1	0	0	111	E629 S630 R635 V636 E637	E629-Q633 WeakPolarHBondContact O-CB 3.48Å; E629-Q633 WeakPolarHBondContact O-CG 3.43Å; E629-Q633 PolarHBondContact O-N 3.18Å; S630-Q633 PolarHBondContact O-N 3.41Å; Q633-R635 PolarHBondContact O-N 2.89Å; Q633-V636 CarbonylContact O-C 3.6Å; Q633-V636 WeakPolarHBondContact O-CA 3.4Å; Q633-V636 WeakPolarHBondContact O-CB 3.2Å; Q633-V636 PolarHBondContact O-N 3.1Å; Q633-E637 WeakPolarHBondContact O-CB 3.22Å; Q633-E637 WeakPolarHBondContact O-CG 3.5Å; Q633-E637 PolarHBondContact O-N 3.11Å
634	H	69.3	Low	63.1	Low	119 Å²	119	106.6 Å²	106.6	55%	0.551	53%	0.526	S	S	*	.	H	α-helix	trans	-58.5	-36.5	175.3	-171.2	-48.8	0	0	0	111.5	S630 E637 S638	S630-H634 WeakPolarHBondContact O-CB 3.48Å; S630-H634 PolarHBondContact O-N 3.11Å; H634-E637 PolarHBondContact O-N 3.01Å; H634-S638 WeakPolarHBondContact O-CB 3.43Å; H634-S638 PolarHBondContact O-N 3.19Å; H634-S638 PolarHBondContact O-OG 3.25Å
635	R	64.1	Low	61.8	Low	133 Å²	133	107.1 Å²	107.1	50%	0.502	52%	0.524	S	S	.	.	H	α-helix	trans	-70.8	-30.8	178.1	-153.2	165.8	176.3	-167.5	3.6	112.8	L631 R632 Q633 S638 R639 L640 L641	L631-R635 VanDerWaalsContact O-CB 3.25Å; L631-R635 WeakPolarHBondContact O-CB 3.41Å; L631-R635 PolarHBondContact O-N 3.27Å; R632-R635 WeakPolarHBondContact O-CB 3.29Å; R632-R635 PolarHBondContact O-N 3.09Å; Q633-R635 PolarHBondContact O-N 2.89Å; R635-S638 WeakPolarHBondContact CA-OG 3.49Å; R635-S638 PolarHBondContact O-OG 3.15Å; R635-R639 PolarHBondContact O-N 3.41Å; R635-L640 HydrophobicContact CG-CB 3.69Å; R635-L640 PolarHBondContact O-N 2.7Å; R635-L641 HydrophobicContact CB-CD1 4.33Å; R635-L641 VanDerWaalsContact CD-CD1 3.48Å; R635-L641 HydrophobicContact CG-CB 4.48Å; R635-L641 HydrophobicContact CG-CD1 3.8Å; R635-L641 PolarHBondContact O-N 3.41Å
636	V	69.6	Low	60.4	Low	41 Å²	41	111.6 Å²	111.6	25%	0.248	56%	0.556	C	S	.	*	H	α-helix	trans	-71.9	-49.1	170.3	172.8	0	0	0	0	110.5	R632 Q633 S638 R639 D643	R632-V636 WeakPolarHBondContact O-CG2 3.42Å; R632-V636 PolarHBondContact O-N 3.11Å; Q633-V636 CarbonylContact O-C 3.6Å; Q633-V636 WeakPolarHBondContact O-CA 3.4Å; Q633-V636 WeakPolarHBondContact O-CB 3.2Å; Q633-V636 PolarHBondContact O-N 3.1Å; V636-S638 VanDerWaalsContact C-N 3.34Å; V636-S638 PolarHBondContact O-N 3.48Å; V636-R639 WeakPolarHBondContact O-CA 3.38Å; V636-R639 PolarHBondContact O-N 3.35Å; V636-D643 WeakPolarHBondContact CG1-OD2 3.3Å
637	E	75.2	Confident	59	Low	149 Å²	149	114.5 Å²	114.5	70%	0.696	57%	0.574	S	S	*	*	H	α-helix	trans	-62.2	-38.5	178.9	-71.1	174.5	177.5	0	0	112.6	Q633 H634 R639	Q633-E637 WeakPolarHBondContact O-CB 3.22Å; Q633-E637 WeakPolarHBondContact O-CG 3.5Å; Q633-E637 PolarHBondContact O-N 3.11Å; H634-E637 PolarHBondContact O-N 3.01Å; E637-R639 PolarHBondContact O-N 3.21Å
638	S	71.7	Confident	57.6	Low	47 Å²	47	115.1 Å²	115.1	33%	0.329	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.9	4.3	174.3	60.1	0	0	0	0	114	H634 R635 V636 L640	H634-S638 WeakPolarHBondContact O-CB 3.43Å; H634-S638 PolarHBondContact O-N 3.19Å; H634-S638 PolarHBondContact O-OG 3.25Å; R635-S638 WeakPolarHBondContact CA-OG 3.49Å; R635-S638 PolarHBondContact O-OG 3.15Å; V636-S638 VanDerWaalsContact C-N 3.34Å; V636-S638 PolarHBondContact O-N 3.48Å; S638-L640 PolarHBondContact O-N 2.85Å
639	R	64.8	Low	55.8	Low	226 Å²	226	126 Å²	126	85%	0.853	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.1	24.2	178.1	-53.4	-177.5	178.1	-171.9	-1.3	114.9	R635 V636 E637	R635-R639 PolarHBondContact O-N 3.41Å; V636-R639 WeakPolarHBondContact O-CA 3.38Å; V636-R639 PolarHBondContact O-N 3.35Å; E637-R639 PolarHBondContact O-N 3.21Å
640	L	60.1	Low	53.9	Low	127 Å²	127	125.9 Å²	125.9	67%	0.665	63%	0.632	S	S	*	*	S	Bend	trans	-88.9	-6.2	178.6	-67.5	173.5	0	0	0	113	R635 S638	R635-L640 HydrophobicContact CG-CB 3.69Å; R635-L640 PolarHBondContact O-N 2.7Å; S638-L640 PolarHBondContact O-N 2.85Å
641	L	50	Low	52.1	Low	86 Å²	86	130.4 Å²	130.4	45%	0.45	65%	0.652	S	S	.	*	S	Bend	trans	-137.3	137.3	169.5	-110	136	0	0	0	108.2	R635	R635-L641 HydrophobicContact CB-CD1 4.33Å; R635-L641 VanDerWaalsContact CD-CD1 3.48Å; R635-L641 HydrophobicContact CG-CB 4.48Å; R635-L641 HydrophobicContact CG-CD1 3.8Å; R635-L641 PolarHBondContact O-N 3.41Å
642	R	50.6	Low	50.2	Low	225 Å²	225	137 Å²	137	85%	0.849	68%	0.681	S	S	*	*			trans	-82.1	131.7	169.8	-82	-176.1	174.9	-179.6	-1.9	109	D644	R642-D644 PolarHBondContact O-N 2.78Å
643	D	43.8	Very low	48.6	Very low	124 Å²	124	135.7 Å²	135.7	66%	0.663	69%	0.687	S	S	*	*			trans	-66.1	98.9	167.8	-100.2	-21.4	0	0	0	108.8	V636	V636-D643 WeakPolarHBondContact CG1-OD2 3.3Å
644	D	42.9	Very low	46.5	Very low	156 Å²	156	135.8 Å²	135.8	83%	0.834	70%	0.699	S	S	*	*			trans	-100.2	84.2	160.7	-73.8	-33.9	0	0	0	107.8	R642	R642-D644 PolarHBondContact O-N 2.78Å
645	A	34	Very low	44.6	Very low	72 Å²	72	134.7 Å²	134.7	60%	0.595	71%	0.705	S	S	*	*			trans	-106.3	134.6	153.8	0	0	0	0	0	107.6	T647	A645-T647 PolarHBondContact O-N 3.01Å
646	P	37.3	Very low	42.8	Very low	132 Å²	132	137.6 Å²	137.6	86%	0.857	72%	0.724	S	S	*	*			trans	-67.4	110.4	-177.2	28.1	-31	0	0	0	108.6	G648	P646-G648 PolarHBondContact O-N 3.43Å
647	T	33.2	Very low	40.7	Very low	138 Å²	138	144.6 Å²	144.6	85%	0.847	75%	0.754	S	S	*	*			trans	-68.4	112.2	172.8	6.5	0	0	0	0	108	A645	A645-T647 PolarHBondContact O-N 3.01Å
648	G	32.1	Very low	39.4	Very low	72 Å²	72	143.6 Å²	143.6	74%	0.742	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-54.4	134.8	159.3	0	0	0	0	0	109.4	P646	P646-G648 PolarHBondContact O-N 3.43Å
649	R	30.6	Very low	37.1	Very low	248 Å²	248	144.4 Å²	144.4	94%	0.936	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-85.4	125.2	165.7	-81.6	-178.9	173.6	179.6	-2.8	108.2
650	D	31.3	Very low	35.4	Very low	146 Å²	146	141.3 Å²	141.3	78%	0.781	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-79.6	141.5	169.7	-90.9	-36.9	0	0	0	112.4
651	L	31.4	Very low	33.8	Very low	150 Å²	150	144.6 Å²	144.6	79%	0.785	79%	0.788	S	S	*	*			trans	61.9	119.3	136.7	-65.9	160.5	0	0	0	121.1
652	E	27.9	Very low	32.6	Very low	204 Å²	204	148.4 Å²	148.4	95%	0.953	80%	0.804	S	S	*	*				-143.3	143.2	125.9	-111.5	179.6	-166.6	0	0	111
653	D	30.4	Very low	31.5	Very low	149 Å²	149	145 Å²	145	80%	0.797	80%	0.802	S	S	*	*			trans	-99.4	141.6	-162.5	-162.1	8.1	0	0	0	111
654	S	27.3	Very low	30.7	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	81%	0.809	S	S	*	*			trans	177.3	102.8	150.1	35.6	0	0	0	0	113.8
655	S	28.5	Very low	29.8	Very low	96 Å²	96	142.7 Å²	142.7	67%	0.671	81%	0.806	S	S	*	*			trans	41.4	115	130.9	64.1	0	0	0	0	121.1
656	Q	26.9	Very low	29.5	Very low	194 Å²	194	144.1 Å²	144.1	91%	0.907	82%	0.818	S	S	*	*				160.4	123.6	112.6	-85.4	178.3	-2	0	0	112.4
657	H	25.9	Very low	29.2	Very low	189 Å²	189	144.1 Å²	144.1	88%	0.875	82%	0.818	S	S	*	*			trans	-77.8	-179.5	162.9	-85.6	-54.2	0	0	0	111.4
658	P	46.1	Very low	28.9	Very low	128 Å²	128	146 Å²	146	83%	0.831	82%	0.822	S	S	*	*			cis	-137.4	-178	-2.2	22.5	3.8	0	0	0	115.5
659	G	25	Very low	28.8	Very low	64 Å²	64	147 Å²	147	66%	0.66	82%	0.823	S	S	*	*			trans	149.6	83.6	157.9	0	0	0	0	0	113.1
660	D	27.5	Very low	28.8	Very low	160 Å²	160	141.3 Å²	141.3	86%	0.856	82%	0.818	S	S	*	*				68.7	110	104.3	-74.5	-16.2	0	0	0	115.5
661	Q	27	Very low	28.6	Very low	197 Å²	197	137.6 Å²	137.6	92%	0.921	82%	0.815	S	S	*	*				-179.5	136.7	97.9	-131.7	168	-4.9	0	0	112.7
662	E	26	Very low	28.4	Very low	166 Å²	166	136.5 Å²	136.5	78%	0.776	82%	0.817	S	S	*	*			trans	-67.4	157.9	-179.6	-59.1	169.7	122.2	0	0	115.1
663	L	25.6	Very low	28.3	Very low	154 Å²	154	134.8 Å²	134.8	81%	0.806	81%	0.813	S	S	*	*				-173.5	108.7	116.5	-100.9	143.9	0	0	0	112.4
664	L	27.5	Very low	28.2	Very low	155 Å²	155	132.7 Å²	132.7	81%	0.812	82%	0.816	S	S	*	*			trans	23.7	135.7	133	-63.6	141.3	0	0	0	118.2
665	G	24.9	Very low	28.1	Very low	75 Å²	75	136.2 Å²	136.2	77%	0.773	82%	0.821	S	S	*	*			cis	131.6	119	16.8	0	0	0	0	0	109.7
666	A	28.2	Very low	28.1	Very low	102 Å²	102	137.6 Å²	137.6	84%	0.843	83%	0.831	S	S	*	*			trans	-174.1	151.4	155.5	0	0	0	0	0	111.6
667	P	29.7	Very low	28.1	Very low	132 Å²	132	136.2 Å²	136.2	86%	0.857	83%	0.829	S	S	*	*			trans	-111.5	154	-139.7	29.3	-13.8	0	0	0	116
668	L	28.3	Very low	28.1	Very low	179 Å²	179	134.6 Å²	134.6	94%	0.937	83%	0.826	S	S	*	*			trans	-77.7	142.2	168.4	-83	143.5	0	0	0	111.7
669	A	29.1	Very low	27.2	Very low	92 Å²	92	133.5 Å²	133.5	76%	0.76	82%	0.822	S	S	*	*			trans	-138	158	166.1	0	0	0	0	0	108.2
670	P	29.8	Very low	27.4	Very low	128 Å²	128	137.8 Å²	137.8	83%	0.831	83%	0.829	S	S	*	*	P	Polyproline II helix		-98.1	147.3	-121.6	29.5	-18.9	0	0	0	114.2
671	G	28.4	Very low	27.4	Very low	69 Å²	69	140 Å²	140	71%	0.711	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-73.4	150.8	172.4	0	0	0	0	0	112.8
672	P	27	Very low	27.6	Very low	127 Å²	127	137.8 Å²	137.8	83%	0.825	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-86	121.1	170.3	29.3	-22.1	0	0	0	111
673	L	25.3	Very low	28	Very low	168 Å²	168	136.7 Å²	136.7	88%	0.88	82%	0.816	S	S	*	*			trans	30.4	113.5	139.9	-78.2	145.6	0	0	0	118.7	Q675	L673-Q675 PolarHBondContact O-N 3.33Å
674	A	27.7	Very low	28.2	Very low	104 Å²	104	138.9 Å²	138.9	86%	0.86	83%	0.828	S	S	*	*			trans	-53	124.6	163.8	0	0	0	0	0	112.4
675	Q	25.2	Very low	28.2	Very low	182 Å²	182	138.1 Å²	138.1	85%	0.85	83%	0.828	S	S	*	*			trans	-104	127.2	151.7	-83.2	-177.6	-18	0	0	108	L673 L677	L673-Q675 PolarHBondContact O-N 3.33Å; Q675-L677 PolarHBondContact O-N 2.78Å; Q675-L677 VanDerWaalsContact O-N 3.16Å
676	S	29.8	Very low	28.4	Very low	125 Å²	125	141.4 Å²	141.4	87%	0.874	83%	0.831	S	S	*	*			trans	-60.5	109	175.8	55.4	0	0	0	0	110.5
677	L	26.1	Very low	28.4	Very low	165 Å²	165	143.6 Å²	143.6	86%	0.864	83%	0.831	S	S	*	*			trans	-96.9	105.3	164.6	-86.9	157.9	0	0	0	107.9	Q675 S679	Q675-L677 PolarHBondContact O-N 2.78Å; Q675-L677 VanDerWaalsContact O-N 3.16Å; L677-S679 PolarHBondContact O-N 3.4Å
678	D	26.3	Very low	28.3	Very low	154 Å²	154	144.3 Å²	144.3	82%	0.824	83%	0.829	S	S	*	*			trans	-50.5	119.4	171.4	-143.9	-6.5	0	0	0	110	N680	D678-N680 PolarHBondContact O-N 2.8Å
679	S	27.2	Very low	28.3	Very low	105 Å²	105	142.1 Å²	142.1	73%	0.734	82%	0.822	S	S	*	*			trans	-89.2	84.1	-174.2	66.6	0	0	0	0	111	L677	L677-S679 PolarHBondContact O-N 3.4Å
680	N	28.5	Very low	28.3	Very low	154 Å²	154	145.5 Å²	145.5	82%	0.824	83%	0.827	S	S	*	*			trans	-105.8	83.2	157.4	-88.3	-22.2	0	0	0	108.9	D678	D678-N680 PolarHBondContact O-N 2.8Å
681	K	27.7	Very low	28.2	Very low	207 Å²	207	146.7 Å²	146.7	90%	0.9	83%	0.826	S	S	*	*			trans	-114.8	70.3	164.6	-85.3	-172.5	175.4	178.9	0	109
682	E	32.6	Very low	28.2	Very low	151 Å²	151	152.7 Å²	152.7	71%	0.706	84%	0.835	S	S	*	*			trans	-108.3	82.7	153.8	-75.8	-164.7	156.6	0	0	107.4
683	E	34.2	Very low	28.3	Very low	142 Å²	142	154.8 Å²	154.8	66%	0.664	84%	0.836	S	S	*	*			trans	-169.6	94.4	159.9	-110.6	176.9	-167	0	0	109.1	R594	R594-E683 IonicContact NH1-OE1 2.96Å
684	L	28.8	Very low	28.5	Very low	201 Å²	201	153.6 Å²	153.6	100%	1.052	83%	0.832	S	S	*	*			trans	-141.4	0	152.5	-90.9	170.8	0	0	0	108.2	P574	P574-L684 HydrophobicContact CB-CD2 3.73Å; P574-L684 HydrophobicContact CG-CD2 4.24Å

Retrieved 684 of 684 residues in 1420.6 ms (Link to these results)

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