A0A096N5B0_PAPAN Loading...

Pantetheinase

Amidohydrolase that hydrolyzes specifically one of the carboamide linkages in D-pantetheine thus recycling pantothenic acid (vitamin B5) and releasing cysteamine.

AlphaFold DB , UniProt , Accession A0A096N5B0, Species PAPAN (Papio anubis, Olive baboon), Gene VNN1, Length 513 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	40.6	Very low	239 Å²	239	148.6 Å²	148.6	100%	1.177	83%	0.829	S	S	*	*				0	97.3	0	-73.7	173.4	105.6	0	0	107.4
2	T	35.9	Very low	40.7	Very low	146 Å²	146	147.4 Å²	147.4	90%	0.896	82%	0.819	S	S	*	*			trans	-92.1	106.7	180	20.4	0	0	0	0	108.2
3	T	39.2	Very low	40.8	Very low	133 Å²	133	147.7 Å²	147.7	82%	0.816	82%	0.816	S	S	*	*			trans	-84.4	111.2	175.4	34.5	0	0	0	0	109.9
4	Q	40	Very low	40.7	Very low	191 Å²	191	149.3 Å²	149.3	89%	0.893	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-78	126.6	168.2	-74.9	179.6	-30.7	0	0	109.7
5	L	37.9	Very low	40.8	Very low	167 Å²	167	153.5 Å²	153.5	87%	0.874	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-88.1	130.5	160.6	-93.3	107.1	0	0	0	108.8	A7	L5-A7 PolarHBondContact O-N 3.42Å
6	P	43.3	Very low	40.8	Very low	99 Å²	99	151.1 Å²	151.1	64%	0.643	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79	121.6	169.7	30.9	-29.2	0	0	0	109.5	Y8	P6-Y8 HydrophobicContact CB-CE2 4.39Å; P6-Y8 HydrophobicContact CG-CE2 4.19Å; P6-Y8 PolarHBondContact O-N 2.78Å
7	A	39.7	Very low	41	Very low	96 Å²	96	147.8 Å²	147.8	79%	0.793	80%	0.797	S	S	*	*			trans	-77.5	109.8	168	0	0	0	0	0	108.8	L5 V9	L5-A7 PolarHBondContact O-N 3.42Å; A7-V9 PolarHBondContact O-N 3.26Å
8	Y	41.2	Very low	41	Very low	215 Å²	215	152.1 Å²	152.1	84%	0.843	80%	0.8	S	S	*	*			trans	-80.9	113.7	169	-82.7	-90.9	0	0	0	109.1	P6 A10	P6-Y8 HydrophobicContact CB-CE2 4.39Å; P6-Y8 HydrophobicContact CG-CE2 4.19Å; P6-Y8 PolarHBondContact O-N 2.78Å; Y8-A10 PolarHBondContact O-N 3.47Å
9	V	42.3	Very low	41.5	Very low	122 Å²	122	151.2 Å²	151.2	74%	0.739	80%	0.802	S	S	*	*			trans	-83.9	108.1	170.1	178	0	0	0	0	107.8	A7 I11	A7-V9 PolarHBondContact O-N 3.26Å; V9-I11 HydrophobicContact CG1-CG1 4.07Å; V9-I11 PolarHBondContact O-N 3.47Å
10	A	42	Very low	42.4	Very low	90 Å²	90	148.4 Å²	148.4	74%	0.744	80%	0.795	S	S	*	*			trans	-78.3	106.1	168.4	0	0	0	0	0	108.8	Y8 L12	Y8-A10 PolarHBondContact O-N 3.47Å; A10-L12 PolarHBondContact O-N 3.22Å
11	I	45.2	Very low	43.9	Very low	137 Å²	137	144.9 Å²	144.9	70%	0.703	78%	0.781	S	S	*	*			trans	-82.3	98.5	171.8	-57.9	177.1	0	0	0	107.3	V9 L13	V9-I11 HydrophobicContact CG1-CG1 4.07Å; V9-I11 PolarHBondContact O-N 3.47Å; I11-L13 HydrophobicContact CG2-CG 4.18Å; I11-L13 PolarHBondContact O-N 3.31Å; I11-L13 VanDerWaalsContact O-N 3.11Å
12	L	41.9	Very low	46.2	Very low	134 Å²	134	136.7 Å²	136.7	70%	0.702	74%	0.74	S	S	*	*			trans	-72.8	94.2	166.5	-94.3	140	0	0	0	108.6	A10 F14	A10-L12 PolarHBondContact O-N 3.22Å; L12-F14 HydrophobicContact CB-CD2 4.48Å; L12-F14 HydrophobicContact CB-CE2 4.18Å; L12-F14 PolarHBondContact O-N 3.37Å; L12-F14 VanDerWaalsContact O-N 3.13Å
13	L	41.5	Very low	49	Very low	151 Å²	151	136.5 Å²	136.5	79%	0.791	73%	0.733	S	S	*	*			trans	-72.1	96.7	165	-77.4	163.7	0	0	0	108	I11 Y15	I11-L13 HydrophobicContact CG2-CG 4.18Å; I11-L13 PolarHBondContact O-N 3.31Å; I11-L13 VanDerWaalsContact O-N 3.11Å; L13-Y15 VanDerWaalsContact C-N 3.35Å; L13-Y15 PolarHBondContact O-N 2.68Å
14	F	40.5	Very low	51.8	Low	170 Å²	170	132.6 Å²	132.6	75%	0.746	71%	0.709	S	S	*	*			trans	-67.4	97.8	164.8	-76.2	-84.2	0	0	0	108.1	L12 V16	L12-F14 HydrophobicContact CB-CD2 4.48Å; L12-F14 HydrophobicContact CB-CE2 4.18Å; L12-F14 PolarHBondContact O-N 3.37Å; L12-F14 VanDerWaalsContact O-N 3.13Å; F14-V16 VanDerWaalsContact C-N 3.27Å; F14-V16 PolarHBondContact O-N 3.01Å
15	Y	42.3	Very low	54.6	Low	212 Å²	212	123.6 Å²	123.6	83%	0.831	67%	0.667	S	S	*	*			trans	-68.4	92.5	165.8	-136.4	-95.9	0	0	0	106.7	L13 S17	L13-Y15 VanDerWaalsContact C-N 3.35Å; L13-Y15 PolarHBondContact O-N 2.68Å; Y15-S17 VanDerWaalsContact C-N 3.25Å; Y15-S17 PolarHBondContact O-N 2.96Å
16	V	40.8	Very low	57.5	Low	116 Å²	116	117 Å²	117	70%	0.703	63%	0.634	S	S	*	*			trans	-69.5	93.7	167.8	-179	0	0	0	0	105.7	F14 R18	F14-V16 VanDerWaalsContact C-N 3.27Å; F14-V16 PolarHBondContact O-N 3.01Å; V16-R18 VanDerWaalsContact C-N 3.25Å; V16-R18 PolarHBondContact O-N 3.06Å
17	S	43.4	Very low	60.1	Low	94 Å²	94	112.3 Å²	112.3	66%	0.657	60%	0.604	S	S	*	*			trans	-59.5	95.9	164.4	-60.2	0	0	0	0	106.7	Y15 T19	Y15-S17 VanDerWaalsContact C-N 3.25Å; Y15-S17 PolarHBondContact O-N 2.96Å; S17-T19 VanDerWaalsContact C-N 3.28Å; S17-T19 PolarHBondContact O-N 3.45Å
18	R	41.1	Very low	62.9	Low	226 Å²	226	107.8 Å²	107.8	85%	0.853	57%	0.566	S	S	*	*			trans	-63.6	97.1	166	-71.4	-174.7	179.5	-173.9	-0.4	105.9	V16 S20	V16-R18 VanDerWaalsContact C-N 3.25Å; V16-R18 PolarHBondContact O-N 3.06Å; R18-S20 VanDerWaalsContact C-N 3.25Å; R18-S20 PolarHBondContact O-N 3.19Å
19	T	51.3	Low	65.7	Low	135 Å²	135	97.5 Å²	97.5	83%	0.828	53%	0.526	S	S	*	.			trans	-58.3	101.1	155.8	26.3	0	0	0	0	105.4	S17 C21	S17-T19 VanDerWaalsContact C-N 3.28Å; S17-T19 PolarHBondContact O-N 3.45Å; T19-C21 PolarHBondContact O-N 3.46Å
20	S	59	Low	68.4	Low	95 Å²	95	93.1 Å²	93.1	66%	0.664	50%	0.496	S	S	*	.			trans	-65.8	108.7	176.6	-170.2	0	0	0	0	106.7	R18 Q22	R18-S20 VanDerWaalsContact C-N 3.25Å; R18-S20 PolarHBondContact O-N 3.19Å; S20-Q22 PolarHBondContact O-N 3.37Å
21	C	74.2	Confident	71.1	Confident	74 Å²	74	88.8 Å²	88.8	50%	0.5	46%	0.46	S	S	.	.			trans	-57.6	128.6	164.2	-157.9	0	0	0	0	107	T19	T19-C21 PolarHBondContact O-N 3.46Å
22	Q	87.6	Confident	73.6	Confident	68 Å²	68	82.3 Å²	82.3	32%	0.318	43%	0.427	S	S	.	.			trans	-88.7	133.1	175.9	-71	177.2	-33.9	0	0	108.2	S20 T24 H73 S202 F203 S306	S20-Q22 PolarHBondContact O-N 3.37Å; Q22-T24 VanDerWaalsContact C-N 3.3Å; Q22-H73 PolarHBondContact OE1-CD2 2.75Å; Q22-S202 PolarHBondContact N-O 3Å; Q22-F203 HydrophobicContact CB-CB 4.25Å; Q22-S306 WeakPolarHBondContact O-CB 3.23Å; Q22-S306 PolarHBondContact O-OG 3.46Å
23	D	94.1	Very high	76.3	Confident	141 Å²	141	77.4 Å²	77.4	75%	0.754	41%	0.406	S	S	*	.	S	Bend	trans	-74.8	-26	178.2	-62.6	-36.4	0	0	0	111.8	S306	D23-S306 PolarHBondContact O-N 3.23Å
24	T	98	Very high	79	Confident	52 Å²	52	70.8 Å²	70.8	32%	0.319	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.2	179.3	65.2	0	0	0	0	111.6	Q22 Q303 L304	Q22-T24 VanDerWaalsContact C-N 3.3Å; T24-Q303 HydrophobicContact CG2-CG 4.49Å; T24-Q303 PolarHBondContact OG1-NE2 2.88Å; T24-Q303 VanDerWaalsContact OG1-NE2 3.16Å; T24-L304 CarbonylContact C-O 3.51Å; T24-L304 WeakPolarHBondContact CA-O 3.3Å; T24-L304 WeakPolarHBondContact CB-O 3.22Å
25	F	98.6	Very high	81.8	Confident	1 Å²	1	64.7 Å²	64.7	0%	0.004	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	158.7	171.8	70	-73.5	0	0	0	111.1	A27 H73 I74 F203 F206 T231 Q303 L304	F25-A27 HydrophobicContact CD2-CB 4.43Å; F25-A27 HydrophobicContact CE2-CB 3.88Å; F25-H73 HydrophobicContact CB-CB 4.19Å; F25-H73 HydrophobicContact CD2-CB 4.48Å; F25-I74 HydrophobicContact CD2-CG2 4.05Å; F25-I74 HydrophobicContact CE2-CG2 3.77Å; F25-F203 HydrophobicContact CB-CB 3.78Å; F25-F203 HydrophobicContact CB-CD2 3.94Å; F25-F203 HydrophobicContact CB-CG 3.88Å; F25-F203 HydrophobicContact CD1-CB 4.23Å; F25-F203 HydrophobicContact CD1-CD2 4.13Å; F25-F203 AromaticContact CD2-CD2 3.86Å; F25-F203 HydrophobicContact CD2-CD2 3.86Å; F25-F203 HydrophobicContact CD2-CE2 4.21Å; F25-F203 HydrophobicContact CE2-CD2 4.4Å; F25-F203 HydrophobicContact CG-CB 4.15Å; F25-F203 AromaticContact CG-CD2 3.71Å; F25-F203 HydrophobicContact CG-CD2 3.71Å; F25-F203 HydrophobicContact CG-CE2 4.48Å; F25-F203 HydrophobicContact CG-CG 4.14Å; F25-F206 HydrophobicContact CE1-CZ 4.48Å; F25-F206 HydrophobicContact CE2-CE1 4.37Å; F25-F206 HydrophobicContact CE2-CZ 4.05Å; F25-F206 HydrophobicContact CZ-CE1 4.26Å; F25-F206 AromaticContact CZ-CZ 3.92Å; F25-F206 HydrophobicContact CZ-CZ 3.92Å; F25-T231 HydrophobicContact CZ-CG2 4.39Å; F25-Q303 CarbonylContact O-C 3.52Å; F25-Q303 WeakPolarHBondContact O-CA 3.49Å; F25-L304 HydrophobicContact CD1-CB 4.29Å; F25-L304 HydrophobicContact CE1-CB 3.76Å; F25-L304 HydrophobicContact CE1-CD1 4.48Å; F25-L304 HydrophobicContact CE2-CD1 4.47Å; F25-L304 HydrophobicContact CZ-CB 3.99Å; F25-L304 HydrophobicContact CZ-CD1 3.91Å; F25-L304 PolarHBondContact N-O 2.92Å; F25-L304 PolarHBondContact O-N 2.91Å
26	T	98.8	Very high	84.4	Confident	30 Å²	30	56.5 Å²	56.5	18%	0.184	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.3	173.2	-56.2	0	0	0	0	109	G71 A72 H73 L301	T26-G71 WeakPolarHBondContact CB-O 3.4Å; T26-A72 HydrophobicContact CG2-CB 4.39Å; T26-A72 WeakPolarHBondContact O-CA 3.48Å; T26-H73 PolarHBondContact N-ND1 3.37Å; T26-H73 PolarHBondContact O-N 2.9Å; T26-L301 HydrophobicContact CG2-CB 4.46Å; T26-L301 HydrophobicContact CG2-CD2 4.17Å
27	A	98.8	Very high	87.1	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	148.5	173.2	0	0	0	0	0	110.9	F25 L263 I279 L301 S302 L304	F25-A27 HydrophobicContact CD2-CB 4.43Å; F25-A27 HydrophobicContact CE2-CB 3.88Å; A27-L263 HydrophobicContact CB-CD1 4.25Å; A27-L263 HydrophobicContact CB-CD2 3.67Å; A27-L263 HydrophobicContact CB-CG 3.98Å; A27-I279 HydrophobicContact CB-CD1 4.21Å; A27-I279 HydrophobicContact CB-CG2 4.18Å; A27-I279 WeakPolarHBondContact O-CD1 3.29Å; A27-L301 VanDerWaalsContact O-CA 3.29Å; A27-L301 WeakPolarHBondContact O-CA 3.31Å; A27-S302 PolarHBondContact N-O 3.49Å; A27-S302 PolarHBondContact O-N 2.82Å; A27-L304 HydrophobicContact CB-CD1 3.91Å; A27-L304 HydrophobicContact CB-CG 4.49Å
28	A	98.9	Very high	89.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.5	168.4	0	0	0	0	0	111.3	A67 A72 I74 I75 V76 L299 L300 L301	A28-A67 HydrophobicContact CB-CB 3.84Å; A28-A72 HydrophobicContact CB-CB 3.91Å; A28-I74 PolarHBondContact N-O 3.43Å; A28-I75 HydrophobicContact CB-CB 3.98Å; A28-I75 HydrophobicContact CB-CD1 4.37Å; A28-I75 HydrophobicContact CB-CG1 3.92Å; A28-I75 VanDerWaalsContact O-CA 3.31Å; A28-I75 WeakPolarHBondContact O-CA 3.24Å; A28-V76 PolarHBondContact O-N 3.45Å; A28-L299 HydrophobicContact CB-CD1 4.25Å; A28-L300 VanDerWaalsContact CA-O 3.23Å; A28-L300 WeakPolarHBondContact CA-O 3.46Å; A28-L301 HydrophobicContact CB-CG 4.13Å
29	V	98.9	Very high	91.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.8	168.8	-59.5	0	0	0	0	108.7	V76 L263 I279 L300	V29-V76 HydrophobicContact CG1-CB 4.23Å; V29-V76 HydrophobicContact CG1-CG2 4.48Å; V29-L263 HydrophobicContact CG1-CB 3.74Å; V29-L263 HydrophobicContact CG1-CG 4.2Å; V29-I279 HydrophobicContact CG1-CG1 4.04Å; V29-I279 HydrophobicContact CG2-CD1 4.42Å; V29-I279 HydrophobicContact CG2-CG1 3.92Å; V29-L300 HydrophobicContact CG2-CB 3.87Å; V29-L300 HydrophobicContact CG2-CD1 4.06Å; V29-L300 HydrophobicContact CG2-CG 4.37Å; V29-L300 PolarHBondContact N-O 2.99Å; V29-L300 PolarHBondContact O-N 3.05Å
30	Y	98.9	Very high	93	Very high	29 Å²	29	47 Å²	47	11%	0.114	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	113.1	179.9	-174.8	-110.8	0	0	0	111.6	H32 I59 L60 A63 V76 P78 S265 R298 L299	Y30-H32 HydrophobicContact CD1-CB 3.84Å; Y30-H32 HydrophobicContact CE1-CB 3.75Å; Y30-H32 AromaticContact CE1-CG 3.92Å; Y30-H32 AromaticContact CE1-ND1 3.52Å; Y30-H32 PolarHBondContact O-N 2.94Å; Y30-I59 HydrophobicContact CE1-CG2 4.28Å; Y30-L60 HydrophobicContact CD1-CD2 3.61Å; Y30-L60 HydrophobicContact CE1-CD2 3.86Å; Y30-A63 HydrophobicContact CD1-CB 3.95Å; Y30-A63 HydrophobicContact CD2-CB 3.47Å; Y30-A63 VanDerWaalsContact CD2-CB 3.47Å; Y30-A63 HydrophobicContact CE1-CB 4.19Å; Y30-A63 HydrophobicContact CE2-CB 3.76Å; Y30-A63 HydrophobicContact CG-CB 3.58Å; Y30-V76 PolarHBondContact N-O 2.94Å; Y30-P78 VanDerWaalsContact O-CD 3.32Å; Y30-P78 WeakPolarHBondContact O-CD 3.18Å; Y30-P78 VanDerWaalsContact O-CG 3.23Å; Y30-P78 WeakPolarHBondContact O-CG 3.39Å; Y30-S265 PolarHBondContact N-OG 3Å; Y30-S265 PolarHBondContact O-OG 3.28Å; Y30-R298 WeakPolarHBondContact CA-O 3.33Å; Y30-L299 HydrophobicContact CD2-CB 3.95Å; Y30-L299 HydrophobicContact CD2-CD1 4.38Å; Y30-L299 HydrophobicContact CE2-CB 4.44Å
31	E	98.9	Very high	94	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	118.4	167.5	-177.5	145.7	132.7	0	0	108.9	N266 H268 T275 G276 S277 H289 G297 R298	E31-N266 VanDerWaalsContact CA-O 3.26Å; E31-N266 WeakPolarHBondContact CA-O 3.34Å; E31-H268 HydrophobicContact CG-CB 3.67Å; E31-H268 IonicContact OE1-CE1 3.04Å; E31-H268 IonicContact OE1-CG 2.69Å; E31-H268 IonicContact OE1-ND1 3.67Å; E31-H268 PolarHBondContact OE1-ND1 2.77Å; E31-T275 WeakPolarHBondContact OE1-CB 3.12Å; E31-T275 PolarHBondContact OE1-OG1 2.86Å; E31-G276 PolarHBondContact OE2-N 3.38Å; E31-S277 VanDerWaalsContact CB-OG 3.28Å; E31-S277 WeakPolarHBondContact CB-OG 3.4Å; E31-S277 VanDerWaalsContact OE2-CB 3.32Å; E31-S277 WeakPolarHBondContact OE2-CB 3.02Å; E31-S277 PolarHBondContact OE2-N 2.74Å; E31-S277 PolarHBondContact OE2-OG 3.31Å; E31-H289 IonicContact OE1-CD2 2.74Å; E31-H289 PolarHBondContact OE1-CD2 2.95Å; E31-H289 IonicContact OE1-NE2 3.65Å; E31-G297 CarbonylContact O-C 3.58Å; E31-G297 WeakPolarHBondContact O-CA 3.44Å; E31-R298 HydrophobicContact CB-CB 4.09Å; E31-R298 PolarHBondContact N-O 2.83Å; E31-R298 PolarHBondContact O-N 2.98Å
32	H	98.8	Very high	94.8	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-111.8	121.9	-169.2	-176.3	40	0	0	0	113.3	Y30 V34 N56 L60 P78 G81 N266 H268	Y30-H32 HydrophobicContact CD1-CB 3.84Å; Y30-H32 HydrophobicContact CE1-CB 3.75Å; Y30-H32 AromaticContact CE1-CG 3.92Å; Y30-H32 AromaticContact CE1-ND1 3.52Å; Y30-H32 PolarHBondContact O-N 2.94Å; H32-V34 WeakPolarHBondContact NE2-CA 3.49Å; H32-V34 PolarHBondContact O-N 3.44Å; H32-V34 VanDerWaalsContact O-N 3.08Å; H32-N56 PolarHBondContact NE2-OD1 3.28Å; H32-N56 VanDerWaalsContact NE2-OD1 3.11Å; H32-L60 HydrophobicContact CB-CD2 4.27Å; H32-P78 HydrophobicContact CB-CG 3.78Å; H32-G81 PolarHBondContact CD2-O 3.13Å; H32-G81 PolarHBondContact NE2-O 2.05Å; H32-N266 PolarHBondContact N-O 2.78Å; H32-H268 PolarHBondContact O-N 3.28Å
33	A	98.6	Very high	95.1	Very high	31 Å²	31	52.6 Å²	52.6	26%	0.256	30%	0.301	S	S	.	.			trans	-76.6	87.6	166	0	0	0	0	0	109.7	H268 E295	A33-H268 HydrophobicContact CB-CB 4.24Å; A33-E295 VanDerWaalsContact CB-O 3.28Å; A33-E295 WeakPolarHBondContact CB-O 3.31Å
34	V	97.9	Very high	95.3	Very high	12 Å²	12	47.6 Å²	47.6	7%	0.073	28%	0.275	C	S	.	.			trans	-66.6	135.3	-172.5	64.4	0	0	0	0	112.7	H32 L36 W85 I267	H32-V34 WeakPolarHBondContact NE2-CA 3.49Å; H32-V34 PolarHBondContact O-N 3.44Å; H32-V34 VanDerWaalsContact O-N 3.08Å; V34-L36 HydrophobicContact CG1-CD2 3.69Å; V34-L36 HydrophobicContact CG1-CG 4.2Å; V34-L36 HydrophobicContact CG2-CD2 4.5Å; V34-L36 PolarHBondContact O-N 2.99Å; V34-W85 HydrophobicContact CG1-CH2 3.64Å; V34-W85 HydrophobicContact CG1-CZ3 3.58Å; V34-I267 HydrophobicContact CB-CD1 4.06Å; V34-I267 HydrophobicContact CG1-CD1 4.02Å; V34-I267 HydrophobicContact CG1-CG2 4.3Å
35	I	98.5	Very high	95.3	Very high	42 Å²	42	47.2 Å²	47.2	22%	0.215	28%	0.275	C	S	.	.			trans	-78.6	108.9	167.5	-56.9	171.5	0	0	0	107.6	L52 R55 N56 I59	I35-L52 HydrophobicContact CB-CD1 4.5Å; I35-L52 HydrophobicContact CG2-CD1 3.81Å; I35-R55 HydrophobicContact CD1-CB 3.98Å; I35-N56 WeakPolarHBondContact CB-OD1 3.1Å; I35-N56 PolarHBondContact N-OD1 2.88Å; I35-N56 PolarHBondContact O-ND2 3.42Å; I35-I59 HydrophobicContact CD1-CD1 3.7Å; I35-I59 HydrophobicContact CG1-CD1 4.08Å
36	L	97.9	Very high	95.3	Very high	39 Å²	39	49.3 Å²	49.3	20%	0.204	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-78.7	149.5	179.9	-63.8	175.9	0	0	0	112.3	V34 W85 Y269	V34-L36 HydrophobicContact CG1-CD2 3.69Å; V34-L36 HydrophobicContact CG1-CG 4.2Å; V34-L36 HydrophobicContact CG2-CD2 4.5Å; V34-L36 PolarHBondContact O-N 2.99Å; L36-W85 HydrophobicContact CD1-CH2 4.49Å; L36-W85 HydrophobicContact CD1-CZ2 4.04Å; L36-W85 HydrophobicContact CD2-CE3 4.44Å; L36-W85 HydrophobicContact CD2-CH2 3.92Å; L36-W85 HydrophobicContact CD2-CZ2 3.97Å; L36-W85 HydrophobicContact CD2-CZ3 4.16Å; L36-Y269 HydrophobicContact CD1-CE1 4.45Å; L36-Y269 HydrophobicContact CD1-CE2 3.79Å
37	P	96	Very high	95.2	Very high	22 Å²	22	54.5 Å²	54.5	14%	0.143	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-64.7	151.7	167.8	26.8	-32.4	0	0	0	110.4	L52 Y83 F87	P37-L52 HydrophobicContact CB-CD2 3.54Å; P37-L52 HydrophobicContact CG-CD2 4.13Å; P37-Y83 WeakPolarHBondContact CD-O 3.18Å; P37-F87 HydrophobicContact CG-CE1 4.45Å; P37-F87 HydrophobicContact CG-CE2 4.47Å; P37-F87 HydrophobicContact CG-CZ 3.86Å
38	N	90.6	Very high	95.2	Very high	148 Å²	148	60 Å²	60	79%	0.791	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-65.2	144	166.4	-72.6	-24.1	0	0	0	109.8	T40	N38-T40 PolarHBondContact O-N 3.04Å
39	V	84.1	Confident	95.2	Very high	133 Å²	133	60 Å²	60	81%	0.806	33%	0.331	S	S	*	.			trans	-70.9	112	175.3	-177.8	0	0	0	0	109
40	T	85.2	Confident	95.2	Very high	70 Å²	70	61.5 Å²	61.5	43%	0.429	34%	0.339	S	S	.	.			trans	-118.3	148.4	177.5	60.4	0	0	0	0	111.1	N38 T42	N38-T40 PolarHBondContact O-N 3.04Å; T40-T42 VanDerWaalsContact C-N 3.35Å; T40-T42 PolarHBondContact OG1-O 3.32Å
41	L	80.6	Confident	95.2	Very high	188 Å²	188	62.7 Å²	62.7	98%	0.984	36%	0.355	S	S	*	.	S	Bend	trans	-77.5	-23	176.6	-68.8	171.9	0	0	0	112.8
42	T	90.5	Very high	95.2	Very high	100 Å²	100	63.5 Å²	63.5	61%	0.613	36%	0.359	S	S	*	.	S	Bend	trans	-117.3	148.6	-179.9	54.4	0	0	0	0	110.3	T40	T40-T42 VanDerWaalsContact C-N 3.35Å; T40-T42 PolarHBondContact OG1-O 3.32Å
43	P	95.2	Very high	95.2	Very high	66 Å²	66	63.5 Å²	63.5	43%	0.429	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-54.4	139.9	171.4	-24.7	34.7	0	0	0	111.3	D90 P94	P43-D90 HydrophobicContact CG-CB 4.06Å; P43-D90 WeakPolarHBondContact CG-O 3.22Å; P43-P94 HydrophobicContact CB-CG 4.24Å
44	V	97.6	Very high	95.2	Very high	35 Å²	35	64.5 Å²	64.5	21%	0.212	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-74.8	166.1	172.6	-63	0	0	0	0	110.6	E48 A49 P94 Y95	V44-E48 HydrophobicContact CB-CB 4.04Å; V44-E48 HydrophobicContact CG2-CB 4.46Å; V44-A49 HydrophobicContact CG2-CB 4.05Å; V44-P94 HydrophobicContact CG2-CB 4.31Å; V44-P94 HydrophobicContact CG2-CG 4.42Å; V44-P94 WeakPolarHBondContact O-CG 3.37Å; V44-Y95 HydrophobicContact CG2-CE2 3.77Å
45	S	98	Very high	95.2	Very high	45 Å²	45	70.3 Å²	70.3	32%	0.315	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-68.3	161.9	169.7	62.3	0	0	0	0	112.1	E47 E48 A49	S45-E47 PolarHBondContact O-N 3.4Å; S45-E48 WeakPolarHBondContact CB-OE2 3.35Å; S45-E48 PolarHBondContact N-OE2 3.07Å; S45-E48 PolarHBondContact O-N 3.15Å; S45-E48 WeakPolarHBondContact OG-CB 3.39Å; S45-E48 VanDerWaalsContact OG-CD 3.27Å; S45-E48 WeakPolarHBondContact OG-CG 3.22Å; S45-E48 PolarHBondContact OG-N 2.75Å; S45-E48 PolarHBondContact OG-OE2 3.48Å; S45-A49 PolarHBondContact O-N 3.12Å
46	R	97.9	Very high	95.2	Very high	44 Å²	44	68.3 Å²	68.3	17%	0.166	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-36.5	174.5	176	57.9	175.6	175.4	3.9	110.9	A49 L50 P94 Y95 L96 E97	R46-A49 PolarHBondContact O-N 3.11Å; R46-L50 HydrophobicContact CG-CD1 3.93Å; R46-L50 HydrophobicContact CG-CG 4.45Å; R46-L50 WeakPolarHBondContact O-CB 3.47Å; R46-L50 VanDerWaalsContact O-CG 3.27Å; R46-L50 WeakPolarHBondContact O-CG 3.3Å; R46-L50 PolarHBondContact O-N 2.94Å; R46-P94 WeakPolarHBondContact CD-O 3.27Å; R46-P94 PolarHBondContact NH1-O 3.16Å; R46-Y95 VanDerWaalsContact NH1-C 3.27Å; R46-Y95 PolarHBondContact NH1-O 3.38Å; R46-Y95 VanDerWaalsContact NH1-O 3.1Å; R46-L96 PolarHBondContact NH1-O 3.27Å; R46-E97 IonicContact NH2-OE1 2.96Å; R46-E97 PolarHBondContact NH2-OE1 2.89Å
47	E	98.3	Very high	95.3	Very high	140 Å²	140	66.5 Å²	66.5	65%	0.654	36%	0.361	S	S	*	.	H	α-helix	trans	-64.2	-44.8	177.6	-66.4	76.4	-170	0	0	111.8	S45 L50 A51	S45-E47 PolarHBondContact O-N 3.4Å; E47-L50 PolarHBondContact O-N 2.49Å; E47-A51 WeakPolarHBondContact O-CB 3.39Å; E47-A51 PolarHBondContact O-N 3.03Å
48	E	98.1	Very high	95.4	Very high	115 Å²	115	69.7 Å²	69.7	54%	0.537	38%	0.377	S	S	.	.	H	α-helix	trans	-65.8	-42.6	176.3	-74	165.2	134.3	0	0	112.1	V44 S45 A51 L52	V44-E48 HydrophobicContact CB-CB 4.04Å; V44-E48 HydrophobicContact CG2-CB 4.46Å; S45-E48 WeakPolarHBondContact CB-OE2 3.35Å; S45-E48 PolarHBondContact N-OE2 3.07Å; S45-E48 PolarHBondContact O-N 3.15Å; S45-E48 WeakPolarHBondContact OG-CB 3.39Å; S45-E48 VanDerWaalsContact OG-CD 3.27Å; S45-E48 WeakPolarHBondContact OG-CG 3.22Å; S45-E48 PolarHBondContact OG-N 2.75Å; S45-E48 PolarHBondContact OG-OE2 3.48Å; E48-A51 PolarHBondContact O-N 3.18Å; E48-L52 PolarHBondContact O-N 3.48Å; E48-L52 VanDerWaalsContact O-N 3.08Å
49	A	98.4	Very high	95.8	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-48.4	174.5	0	0	0	0	0	111.3	V44 S45 R46 A51 L52 M53 P94 Y95	V44-A49 HydrophobicContact CG2-CB 4.05Å; S45-A49 PolarHBondContact O-N 3.12Å; R46-A49 PolarHBondContact O-N 3.11Å; A49-A51 VanDerWaalsContact C-N 3.32Å; A49-A51 PolarHBondContact O-N 2.92Å; A49-L52 PolarHBondContact O-N 3.05Å; A49-M53 WeakPolarHBondContact O-CG 3.41Å; A49-M53 PolarHBondContact O-N 3.39Å; A49-P94 HydrophobicContact CB-CB 3.85Å; A49-Y95 HydrophobicContact CB-CD1 3.69Å; A49-Y95 HydrophobicContact CB-CD2 3.92Å; A49-Y95 HydrophobicContact CB-CE1 3.59Å; A49-Y95 HydrophobicContact CB-CE2 3.82Å; A49-Y95 HydrophobicContact CB-CG 3.85Å
50	L	98.8	Very high	96.5	Very high	31 Å²	31	59.4 Å²	59.4	16%	0.162	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-37.6	176.2	-77	169.2	0	0	0	112.6	R46 E47 M53 N54 P119 V120	R46-L50 HydrophobicContact CG-CD1 3.93Å; R46-L50 HydrophobicContact CG-CG 4.45Å; R46-L50 WeakPolarHBondContact O-CB 3.47Å; R46-L50 VanDerWaalsContact O-CG 3.27Å; R46-L50 WeakPolarHBondContact O-CG 3.3Å; R46-L50 PolarHBondContact O-N 2.94Å; E47-L50 PolarHBondContact O-N 2.49Å; L50-M53 HydrophobicContact CD2-CE 3.78Å; L50-M53 HydrophobicContact CG-CE 4.29Å; L50-M53 PolarHBondContact O-N 3.28Å; L50-N54 VanDerWaalsContact O-CB 3.31Å; L50-N54 WeakPolarHBondContact O-CB 3.28Å; L50-N54 PolarHBondContact O-N 3.11Å; L50-N54 PolarHBondContact O-ND2 2.65Å; L50-P119 HydrophobicContact CD1-CG 4.07Å; L50-P119 HydrophobicContact CD2-CB 4.35Å; L50-P119 HydrophobicContact CD2-CG 3.5Å; L50-P119 VanDerWaalsContact CD2-CG 3.5Å; L50-P119 HydrophobicContact CG-CG 4.47Å; L50-V120 HydrophobicContact CD2-CG2 3.93Å
51	A	98.6	Very high	97.2	Very high	55 Å²	55	58.4 Å²	58.4	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-63.5	-43	177.2	0	0	0	0	0	111.6	E47 E48 A49 R55	E47-A51 WeakPolarHBondContact O-CB 3.39Å; E47-A51 PolarHBondContact O-N 3.03Å; E48-A51 PolarHBondContact O-N 3.18Å; A49-A51 VanDerWaalsContact C-N 3.32Å; A49-A51 PolarHBondContact O-N 2.92Å; A51-R55 WeakPolarHBondContact O-CG 3.35Å; A51-R55 PolarHBondContact O-N 2.92Å
52	L	98.7	Very high	98	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-50.4	174.7	-179.4	70.9	0	0	0	111.7	I35 P37 E48 A49 N54 R55 N56 Y95	I35-L52 HydrophobicContact CB-CD1 4.5Å; I35-L52 HydrophobicContact CG2-CD1 3.81Å; P37-L52 HydrophobicContact CB-CD2 3.54Å; P37-L52 HydrophobicContact CG-CD2 4.13Å; E48-L52 PolarHBondContact O-N 3.48Å; E48-L52 VanDerWaalsContact O-N 3.08Å; A49-L52 PolarHBondContact O-N 3.05Å; L52-N54 PolarHBondContact O-N 3.13Å; L52-R55 WeakPolarHBondContact O-CB 3.08Å; L52-R55 PolarHBondContact O-N 2.83Å; L52-N56 PolarHBondContact O-N 2.99Å; L52-Y95 HydrophobicContact CD2-CE1 3.94Å
53	M	98.9	Very high	98.4	Very high	2 Å²	2	47 Å²	47	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-39.2	180	-69.2	-165.9	-71.1	0	0	111.5	A49 L50 R55 N56 L57 I82 Y83 Y95 V120	A49-M53 WeakPolarHBondContact O-CG 3.41Å; A49-M53 PolarHBondContact O-N 3.39Å; L50-M53 HydrophobicContact CD2-CE 3.78Å; L50-M53 HydrophobicContact CG-CE 4.29Å; L50-M53 PolarHBondContact O-N 3.28Å; M53-R55 PolarHBondContact O-N 2.97Å; M53-N56 PolarHBondContact O-N 2.87Å; M53-L57 VanDerWaalsContact O-CG 3.32Å; M53-L57 WeakPolarHBondContact O-CG 3.48Å; M53-L57 PolarHBondContact O-N 3.13Å; M53-I82 HydrophobicContact CB-CG2 3.53Å; M53-I82 HydrophobicContact CG-CG2 3.53Å; M53-I82 HydrophobicContact SD-CG2 3.84Å; M53-Y83 HydrophobicContact SD-CD1 4.43Å; M53-Y95 HydrophobicContact CE-CD1 4.22Å; M53-Y95 HydrophobicContact CG-CD1 3.75Å; M53-Y95 HydrophobicContact CG-CE1 4.23Å; M53-Y95 HydrophobicContact SD-CD1 3.82Å; M53-V120 HydrophobicContact CE-CG2 3.68Å; M53-V120 HydrophobicContact SD-CG2 4.06Å
54	N	98.9	Very high	98.6	Very high	52 Å²	52	43.9 Å²	43.9	28%	0.278	23%	0.233	S	C	.	.	H	α-helix	trans	-65.3	-35.5	176.1	-83.2	-59.2	0	0	0	113.3	L50 L52 N56 L57 D58 R123	L50-N54 VanDerWaalsContact O-CB 3.31Å; L50-N54 WeakPolarHBondContact O-CB 3.28Å; L50-N54 PolarHBondContact O-N 3.11Å; L50-N54 PolarHBondContact O-ND2 2.65Å; L52-N54 PolarHBondContact O-N 3.13Å; N54-N56 VanDerWaalsContact C-N 3.33Å; N54-N56 PolarHBondContact O-N 3.41Å; N54-L57 CarbonylContact O-C 3.57Å; N54-L57 PolarHBondContact O-N 2.97Å; N54-D58 PolarHBondContact O-N 3.11Å; N54-D58 VanDerWaalsContact O-OD1 3.1Å; N54-R123 PolarHBondContact O-NH1 2.94Å; N54-R123 WeakPolarHBondContact OD1-CD 3.4Å; N54-R123 PolarHBondContact OD1-NH1 2.84Å
55	R	98.8	Very high	98.7	Very high	134 Å²	134	43.8 Å²	43.8	51%	0.506	23%	0.233	S	C	.	.	H	α-helix	trans	-64	-38.8	174.7	-70.2	170.7	62.1	-156.3	-2.4	112.2	I35 A51 L52 M53 D58	I35-R55 HydrophobicContact CD1-CB 3.98Å; A51-R55 WeakPolarHBondContact O-CG 3.35Å; A51-R55 PolarHBondContact O-N 2.92Å; L52-R55 WeakPolarHBondContact O-CB 3.08Å; L52-R55 PolarHBondContact O-N 2.83Å; M53-R55 PolarHBondContact O-N 2.97Å; R55-D58 PolarHBondContact O-N 2.83Å
56	N	98.9	Very high	98.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.5	-44.3	172.7	-79.4	-51.4	0	0	0	111	H32 I35 L52 M53 N54 D58 I59 L60 I82	H32-N56 PolarHBondContact NE2-OD1 3.28Å; H32-N56 VanDerWaalsContact NE2-OD1 3.11Å; I35-N56 WeakPolarHBondContact CB-OD1 3.1Å; I35-N56 PolarHBondContact N-OD1 2.88Å; I35-N56 PolarHBondContact O-ND2 3.42Å; L52-N56 PolarHBondContact O-N 2.99Å; M53-N56 PolarHBondContact O-N 2.87Å; N54-N56 VanDerWaalsContact C-N 3.33Å; N54-N56 PolarHBondContact O-N 3.41Å; N56-D58 PolarHBondContact O-N 3.46Å; N56-I59 WeakPolarHBondContact O-CB 3.28Å; N56-I59 PolarHBondContact O-N 3.17Å; N56-L60 WeakPolarHBondContact O-CG 3.4Å; N56-L60 PolarHBondContact O-N 2.95Å; N56-I82 PolarHBondContact ND2-O 2.89Å
57	L	98.9	Very high	98.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-29.1	175.7	-71	165.3	0	0	0	113.1	M53 N54 I59 L60 E61 I82 V120 R123 L124	M53-L57 VanDerWaalsContact O-CG 3.32Å; M53-L57 WeakPolarHBondContact O-CG 3.48Å; M53-L57 PolarHBondContact O-N 3.13Å; N54-L57 CarbonylContact O-C 3.57Å; N54-L57 PolarHBondContact O-N 2.97Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-L60 HydrophobicContact CD2-CD1 4.49Å; L57-L60 PolarHBondContact O-N 2.86Å; L57-E61 VanDerWaalsContact O-CB 3.28Å; L57-E61 WeakPolarHBondContact O-CB 3.35Å; L57-E61 PolarHBondContact O-N 2.62Å; L57-I82 HydrophobicContact CD2-CD1 3.81Å; L57-I82 HydrophobicContact CD2-CG1 4.18Å; L57-I82 HydrophobicContact CG-CD1 4.45Å; L57-I82 HydrophobicContact CG-CG1 4.44Å; L57-V120 HydrophobicContact CD1-CG1 4.27Å; L57-R123 HydrophobicContact CD1-CG 4.41Å; L57-L124 HydrophobicContact CD2-CD2 3.66Å; L57-L124 HydrophobicContact CD2-CG 4.19Å
58	D	98.9	Very high	98.8	Very high	90 Å²	90	36.1 Å²	36.1	48%	0.481	20%	0.203	S	C	.	.	H	α-helix	trans	-62.6	-41.4	173	-63.4	-22.8	0	0	0	111.4	N54 R55 N56 G62 R123	N54-D58 PolarHBondContact O-N 3.11Å; N54-D58 VanDerWaalsContact O-OD1 3.1Å; R55-D58 PolarHBondContact O-N 2.83Å; N56-D58 PolarHBondContact O-N 3.46Å; D58-G62 PolarHBondContact O-N 2.84Å; D58-R123 IonicContact OD1-CZ 3.98Å; D58-R123 VanDerWaalsContact OD1-CZ 3.24Å; D58-R123 IonicContact OD1-NH1 3.86Å; D58-R123 PolarHBondContact OD1-NH1 2.84Å; D58-R123 IonicContact OD1-NH2 2.87Å; D58-R123 PolarHBondContact OD1-NH2 2.91Å
59	I	98.9	Very high	98.8	Very high	62 Å²	62	38.1 Å²	38.1	32%	0.318	21%	0.213	S	C	.	.	H	α-helix	trans	-69.2	-46.7	176.9	-62.1	169.1	0	0	0	109.9	Y30 I35 N56 L57 E61 G62 A63	Y30-I59 HydrophobicContact CE1-CG2 4.28Å; I35-I59 HydrophobicContact CD1-CD1 3.7Å; I35-I59 HydrophobicContact CG1-CD1 4.08Å; N56-I59 WeakPolarHBondContact O-CB 3.28Å; N56-I59 PolarHBondContact O-N 3.17Å; L57-I59 VanDerWaalsContact C-N 3.34Å; I59-E61 VanDerWaalsContact C-N 3.31Å; I59-E61 PolarHBondContact O-N 2.91Å; I59-G62 PolarHBondContact O-N 3.07Å; I59-G62 VanDerWaalsContact O-N 3.09Å; I59-A63 PolarHBondContact O-N 2.61Å
60	L	98.9	Very high	98.8	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-36	178.7	-61.5	-179.8	0	0	0	111.8	Y30 H32 N56 L57 G62 A63 I64 T77 I82	Y30-L60 HydrophobicContact CD1-CD2 3.61Å; Y30-L60 HydrophobicContact CE1-CD2 3.86Å; H32-L60 HydrophobicContact CB-CD2 4.27Å; N56-L60 WeakPolarHBondContact O-CG 3.4Å; N56-L60 PolarHBondContact O-N 2.95Å; L57-L60 HydrophobicContact CD2-CD1 4.49Å; L57-L60 PolarHBondContact O-N 2.86Å; L60-G62 VanDerWaalsContact C-N 3.26Å; L60-G62 PolarHBondContact O-N 3.31Å; L60-A63 PolarHBondContact O-N 3.14Å; L60-A63 VanDerWaalsContact O-N 3.15Å; L60-I64 HydrophobicContact CB-CD1 4.44Å; L60-I64 WeakPolarHBondContact O-CB 3.25Å; L60-I64 WeakPolarHBondContact O-CD1 3.38Å; L60-I64 WeakPolarHBondContact O-CG1 3.3Å; L60-I64 PolarHBondContact O-N 3.28Å; L60-T77 HydrophobicContact CD1-CG2 4.33Å; L60-T77 HydrophobicContact CD2-CG2 4Å; L60-I82 HydrophobicContact CD1-CD1 4.49Å; L60-I82 HydrophobicContact CD1-CG1 3.97Å
61	E	98.9	Very high	98.8	Very high	49 Å²	49	43.9 Å²	43.9	23%	0.229	25%	0.249	C	C	.	.	H	α-helix	trans	-58	-39.4	173	174.4	163.6	-169.4	0	0	111.6	L57 I59 T65 R123 L127 K130	L57-E61 VanDerWaalsContact O-CB 3.28Å; L57-E61 WeakPolarHBondContact O-CB 3.35Å; L57-E61 PolarHBondContact O-N 2.62Å; I59-E61 VanDerWaalsContact C-N 3.31Å; I59-E61 PolarHBondContact O-N 2.91Å; E61-T65 WeakPolarHBondContact O-CB 3.39Å; E61-T65 PolarHBondContact O-N 3.15Å; E61-T65 PolarHBondContact O-OG1 2.88Å; E61-R123 IonicContact OE2-NH2 2.65Å; E61-R123 PolarHBondContact OE2-NH2 3.09Å; E61-L127 HydrophobicContact CB-CD1 4.42Å; E61-L127 HydrophobicContact CB-CD2 3.61Å; E61-L127 VanDerWaalsContact CD-CD2 3.42Å; E61-L127 HydrophobicContact CG-CD2 3.38Å; E61-K130 IonicContact OE1-NZ 2.87Å; E61-K130 PolarHBondContact OE1-NZ 3.42Å
62	G	98.8	Very high	98.8	Very high	41 Å²	41	41.7 Å²	41.7	42%	0.423	23%	0.23	S	C	.	.	H	α-helix	trans	-60.2	-47.1	173.7	0	0	0	0	0	112.4	D58 I59 L60 S66	D58-G62 PolarHBondContact O-N 2.84Å; I59-G62 PolarHBondContact O-N 3.07Å; I59-G62 VanDerWaalsContact O-N 3.09Å; L60-G62 VanDerWaalsContact C-N 3.26Å; L60-G62 PolarHBondContact O-N 3.31Å; G62-S66 VanDerWaalsContact O-CB 3.25Å; G62-S66 WeakPolarHBondContact O-CB 3.21Å; G62-S66 PolarHBondContact O-N 3.31Å
63	A	98.9	Very high	98.8	Very high	7 Å²	7	43.4 Å²	43.4	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-46.3	177.4	0	0	0	0	0	112.5	Y30 I59 L60 T65 S66 A67 I75	Y30-A63 HydrophobicContact CD1-CB 3.95Å; Y30-A63 HydrophobicContact CD2-CB 3.47Å; Y30-A63 VanDerWaalsContact CD2-CB 3.47Å; Y30-A63 HydrophobicContact CE1-CB 4.19Å; Y30-A63 HydrophobicContact CE2-CB 3.76Å; Y30-A63 HydrophobicContact CG-CB 3.58Å; I59-A63 PolarHBondContact O-N 2.61Å; L60-A63 PolarHBondContact O-N 3.14Å; L60-A63 VanDerWaalsContact O-N 3.15Å; A63-T65 PolarHBondContact O-N 3.29Å; A63-S66 PolarHBondContact O-N 2.69Å; A63-A67 WeakPolarHBondContact O-CB 3.34Å; A63-A67 PolarHBondContact O-N 3.14Å; A63-I75 HydrophobicContact CB-CD1 4.38Å
64	I	98.9	Very high	98.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-47.1	178.3	-67.1	162	0	0	0	110.5	L60 A67 A68 I75 L127 N131 I133 V135	L60-I64 HydrophobicContact CB-CD1 4.44Å; L60-I64 WeakPolarHBondContact O-CB 3.25Å; L60-I64 WeakPolarHBondContact O-CD1 3.38Å; L60-I64 WeakPolarHBondContact O-CG1 3.3Å; L60-I64 PolarHBondContact O-N 3.28Å; I64-A67 PolarHBondContact O-N 3.04Å; I64-A68 WeakPolarHBondContact O-CB 3.27Å; I64-A68 PolarHBondContact O-N 3.41Å; I64-I75 HydrophobicContact CB-CG2 4.44Å; I64-I75 HydrophobicContact CG1-CD1 4.11Å; I64-I75 HydrophobicContact CG1-CG2 3.86Å; I64-I75 HydrophobicContact CG2-CG2 4.35Å; I64-L127 HydrophobicContact CD1-CB 4.38Å; I64-L127 HydrophobicContact CD1-CD1 4.04Å; I64-N131 HydrophobicContact CG2-CB 4.38Å; I64-I133 HydrophobicContact CG2-CG2 3.81Å; I64-V135 HydrophobicContact CD1-CG1 4.01Å; I64-V135 HydrophobicContact CD1-CG2 4.29Å; I64-V135 HydrophobicContact CG2-CG2 4.03Å
65	T	98.9	Very high	98.8	Very high	34 Å²	34	40.9 Å²	40.9	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-44.1	179.5	-55.7	0	0	0	0	110.9	E61 A63 A67 A68 Q69	E61-T65 WeakPolarHBondContact O-CB 3.39Å; E61-T65 PolarHBondContact O-N 3.15Å; E61-T65 PolarHBondContact O-OG1 2.88Å; A63-T65 PolarHBondContact O-N 3.29Å; T65-A67 PolarHBondContact O-N 2.98Å; T65-A68 PolarHBondContact O-N 3.45Å; T65-Q69 WeakPolarHBondContact O-CB 3.11Å; T65-Q69 VanDerWaalsContact O-CG 3.28Å; T65-Q69 WeakPolarHBondContact O-CG 3.48Å; T65-Q69 PolarHBondContact O-N 2.98Å
66	S	98.9	Very high	98.8	Very high	43 Å²	43	34.5 Å²	34.5	30%	0.301	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-40.5	177.1	-178.9	0	0	0	0	112.4	G62 A63 Q69 Q70	G62-S66 VanDerWaalsContact O-CB 3.25Å; G62-S66 WeakPolarHBondContact O-CB 3.21Å; G62-S66 PolarHBondContact O-N 3.31Å; A63-S66 PolarHBondContact O-N 2.69Å; S66-Q69 PolarHBondContact O-N 2.99Å; S66-Q70 WeakPolarHBondContact O-CG 3.5Å; S66-Q70 PolarHBondContact O-N 3.22Å; S66-Q70 PolarHBondContact O-NE2 3.4Å; S66-Q70 VanDerWaalsContact O-NE2 3.12Å; S66-Q70 PolarHBondContact OG-NE2 2.82Å
67	A	98.9	Very high	98.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-45.7	176.5	0	0	0	0	0	111.6	A28 A63 I64 T65 Q69 Q70 G71 A72 I75 I133 L299	A28-A67 HydrophobicContact CB-CB 3.84Å; A63-A67 WeakPolarHBondContact O-CB 3.34Å; A63-A67 PolarHBondContact O-N 3.14Å; I64-A67 PolarHBondContact O-N 3.04Å; T65-A67 PolarHBondContact O-N 2.98Å; A67-Q69 PolarHBondContact O-N 3.33Å; A67-Q70 CarbonylContact O-C 3.6Å; A67-Q70 PolarHBondContact O-N 2.86Å; A67-Q70 VanDerWaalsContact O-N 3.1Å; A67-G71 PolarHBondContact O-N 2.99Å; A67-A72 HydrophobicContact CB-CB 3.83Å; A67-A72 VanDerWaalsContact O-CB 3.24Å; A67-A72 WeakPolarHBondContact O-CB 3.47Å; A67-A72 PolarHBondContact O-N 2.88Å; A67-I75 HydrophobicContact CB-CD1 3.91Å; A67-I133 HydrophobicContact CB-CD1 4.24Å; A67-L299 HydrophobicContact CB-CD1 4.19Å; A67-L299 HydrophobicContact CB-CD2 4.24Å
68	A	98.8	Very high	98.8	Very high	24 Å²	24	34.7 Å²	34.7	20%	0.198	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-40.6	177.8	0	0	0	0	0	112.4	I64 T65 Q70 G71 N131 I133	I64-A68 WeakPolarHBondContact O-CB 3.27Å; I64-A68 PolarHBondContact O-N 3.41Å; T65-A68 PolarHBondContact O-N 3.45Å; A68-Q70 PolarHBondContact O-N 2.93Å; A68-G71 PolarHBondContact O-N 2.8Å; A68-N131 HydrophobicContact CB-CB 3.74Å; A68-I133 HydrophobicContact CB-CB 4.37Å; A68-I133 HydrophobicContact CB-CD1 4.32Å; A68-I133 HydrophobicContact CB-CG2 4.42Å
69	Q	98.7	Very high	98.8	Very high	158 Å²	158	30.6 Å²	30.6	74%	0.738	18%	0.179	S	C	*	.	H	α-helix	trans	-61.2	-28.4	174.2	-75.1	174	-1	0	0	113	T65 S66 A67 G71	T65-Q69 WeakPolarHBondContact O-CB 3.11Å; T65-Q69 VanDerWaalsContact O-CG 3.28Å; T65-Q69 WeakPolarHBondContact O-CG 3.48Å; T65-Q69 PolarHBondContact O-N 2.98Å; S66-Q69 PolarHBondContact O-N 2.99Å; A67-Q69 PolarHBondContact O-N 3.33Å; Q69-G71 VanDerWaalsContact C-N 3.32Å
70	Q	98.6	Very high	98.8	Very high	114 Å²	114	27.8 Å²	27.8	53%	0.533	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	7.5	175.2	-67.3	175.3	81.7	0	0	113	S66 A67 A68 L301	S66-Q70 WeakPolarHBondContact O-CG 3.5Å; S66-Q70 PolarHBondContact O-N 3.22Å; S66-Q70 PolarHBondContact O-NE2 3.4Å; S66-Q70 VanDerWaalsContact O-NE2 3.12Å; S66-Q70 PolarHBondContact OG-NE2 2.82Å; A67-Q70 CarbonylContact O-C 3.6Å; A67-Q70 PolarHBondContact O-N 2.86Å; A67-Q70 VanDerWaalsContact O-N 3.1Å; A68-Q70 PolarHBondContact O-N 2.93Å; Q70-L301 HydrophobicContact CB-CD2 3.64Å
71	G	98.4	Very high	98.8	Very high	38 Å²	38	27.7 Å²	27.7	39%	0.392	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	21.2	174.9	0	0	0	0	0	114.9	T26 A67 A68 Q69 H73	T26-G71 WeakPolarHBondContact CB-O 3.4Å; A67-G71 PolarHBondContact O-N 2.99Å; A68-G71 PolarHBondContact O-N 2.8Å; Q69-G71 VanDerWaalsContact C-N 3.32Å; G71-H73 PolarHBondContact O-ND1 3.07Å
72	A	98.8	Very high	98.8	Very high	8 Å²	8	25.4 Å²	25.4	7%	0.066	15%	0.154	C	C	.	.			trans	-62.7	136.4	171.2	0	0	0	0	0	111	T26 A28 A67 I133 L301	T26-A72 HydrophobicContact CG2-CB 4.39Å; T26-A72 WeakPolarHBondContact O-CA 3.48Å; A28-A72 HydrophobicContact CB-CB 3.91Å; A67-A72 HydrophobicContact CB-CB 3.83Å; A67-A72 VanDerWaalsContact O-CB 3.24Å; A67-A72 WeakPolarHBondContact O-CB 3.47Å; A67-A72 PolarHBondContact O-N 2.88Å; A72-I133 HydrophobicContact CB-CD1 3.71Å; A72-I133 WeakPolarHBondContact O-CD1 3.04Å; A72-I133 WeakPolarHBondContact O-CG1 3.3Å; A72-L301 HydrophobicContact CB-CD2 4.09Å
73	H	98.9	Very high	98.8	Very high	53 Å²	53	23.5 Å²	23.5	25%	0.245	13%	0.134	C	C	.	.	S	Bend	trans	-90.3	-29.2	177.3	-63.7	63.2	0	0	0	111.1	Q22 F25 T26 G71 Y134 F203	Q22-H73 PolarHBondContact OE1-CD2 2.75Å; F25-H73 HydrophobicContact CB-CB 4.19Å; F25-H73 HydrophobicContact CD2-CB 4.48Å; T26-H73 PolarHBondContact N-ND1 3.37Å; T26-H73 PolarHBondContact O-N 2.9Å; G71-H73 PolarHBondContact O-ND1 3.07Å; H73-Y134 WeakPolarHBondContact O-CD2 3.38Å; H73-Y134 PolarHBondContact O-N 3.12Å; H73-F203 HydrophobicContact CB-CD1 4.42Å; H73-F203 HydrophobicContact CB-CE1 4.01Å; H73-F203 HydrophobicContact CB-CE2 4.37Å; H73-F203 HydrophobicContact CB-CZ 3.99Å
74	I	98.9	Very high	98.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	143.7	179.3	-173.1	157.9	0	0	0	110	F25 A28 Y134 V136 F199 F206 L233 L263	F25-I74 HydrophobicContact CD2-CG2 4.05Å; F25-I74 HydrophobicContact CE2-CG2 3.77Å; A28-I74 PolarHBondContact N-O 3.43Å; I74-Y134 WeakPolarHBondContact CA-O 3.38Å; I74-V136 HydrophobicContact CD1-CG2 3.9Å; I74-V136 HydrophobicContact CG1-CG2 4.07Å; I74-F199 HydrophobicContact CD1-CZ 4.4Å; I74-F206 HydrophobicContact CD1-CD1 4.37Å; I74-F206 HydrophobicContact CD1-CE1 4.14Å; I74-L233 HydrophobicContact CD1-CD1 4.07Å; I74-L233 HydrophobicContact CD1-CD2 3.7Å; I74-L233 HydrophobicContact CG1-CD2 4.47Å; I74-L263 HydrophobicContact CG2-CD2 3.94Å
75	I	98.9	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.6	170.5	-174.6	172.8	0	0	0	110.6	A28 A63 I64 A67 I133 Y134 V135 V136 L299	A28-I75 HydrophobicContact CB-CB 3.98Å; A28-I75 HydrophobicContact CB-CD1 4.37Å; A28-I75 HydrophobicContact CB-CG1 3.92Å; A28-I75 VanDerWaalsContact O-CA 3.31Å; A28-I75 WeakPolarHBondContact O-CA 3.24Å; A63-I75 HydrophobicContact CB-CD1 4.38Å; I64-I75 HydrophobicContact CB-CG2 4.44Å; I64-I75 HydrophobicContact CG1-CD1 4.11Å; I64-I75 HydrophobicContact CG1-CG2 3.86Å; I64-I75 HydrophobicContact CG2-CG2 4.35Å; A67-I75 HydrophobicContact CB-CD1 3.91Å; I75-I133 HydrophobicContact CB-CD1 4.03Å; I75-I133 HydrophobicContact CG2-CD1 3.83Å; I75-I133 HydrophobicContact CG2-CG1 4.43Å; I75-Y134 PolarHBondContact N-O 3.28Å; I75-V135 HydrophobicContact CG2-CG2 4.19Å; I75-V136 PolarHBondContact O-N 3.11Å; I75-L299 HydrophobicContact CD1-CD1 4Å
76	V	99	Very high	98.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136	171.1	-168.4	0	0	0	0	109.9	A28 V29 Y30 V136 L233 P235 L263 S265	A28-V76 PolarHBondContact O-N 3.45Å; V29-V76 HydrophobicContact CG1-CB 4.23Å; V29-V76 HydrophobicContact CG1-CG2 4.48Å; Y30-V76 PolarHBondContact N-O 2.94Å; V76-V136 HydrophobicContact CB-CB 4.37Å; V76-V136 HydrophobicContact CG1-CB 4.19Å; V76-V136 HydrophobicContact CG1-CG1 4.12Å; V76-V136 HydrophobicContact CG2-CB 4.22Å; V76-V136 HydrophobicContact CG2-CG2 4.16Å; V76-L233 HydrophobicContact CG2-CB 4.45Å; V76-L233 HydrophobicContact CG2-CD2 3.76Å; V76-P235 HydrophobicContact CG1-CG 3.99Å; V76-L263 HydrophobicContact CG2-CB 3.76Å; V76-L263 HydrophobicContact CG2-CD2 3.95Å; V76-S265 PolarHBondContact O-OG 3.03Å
77	T	98.9	Very high	98.5	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.018	14%	0.138	C	C	.	.			trans	-114.6	159	169.5	68.7	0	0	0	0	110.6	L60 V136 A137 P235 S265	L60-T77 HydrophobicContact CD1-CG2 4.33Å; L60-T77 HydrophobicContact CD2-CG2 4Å; T77-V136 PolarHBondContact N-O 3.13Å; T77-V136 PolarHBondContact OG1-O 2.95Å; T77-V136 VanDerWaalsContact OG1-O 3.04Å; T77-A137 WeakPolarHBondContact OG1-CA 3.21Å; T77-P235 WeakPolarHBondContact O-CB 3.42Å; T77-S265 WeakPolarHBondContact CA-OG 3.41Å
78	P	98.9	Very high	98.3	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.163	C	C	.	.			trans	-72	163.2	-168.5	-21.9	36.9	0	0	0	115.7	Y30 H32 G81 S265 N266 I267	Y30-P78 VanDerWaalsContact O-CD 3.32Å; Y30-P78 WeakPolarHBondContact O-CD 3.18Å; Y30-P78 VanDerWaalsContact O-CG 3.23Å; Y30-P78 WeakPolarHBondContact O-CG 3.39Å; H32-P78 HydrophobicContact CB-CG 3.78Å; P78-G81 PolarHBondContact O-N 2.6Å; P78-S265 VanDerWaalsContact CA-O 3.31Å; P78-S265 WeakPolarHBondContact CA-O 3.42Å; P78-S265 WeakPolarHBondContact CB-O 3.39Å; P78-N266 VanDerWaalsContact CG-C 3.45Å; P78-N266 WeakPolarHBondContact CG-O 3.47Å; P78-I267 HydrophobicContact CB-CD1 3.8Å; P78-I267 HydrophobicContact CB-CG1 4.01Å; P78-I267 HydrophobicContact CG-CD1 4.4Å
79	E	98.9	Very high	98.3	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.019	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	141.2	163.1	177.7	-177.5	-140.6	0	0	109.9	G81 N161 K178 T210 C211 P235 T236 A237 I267	E79-G81 PolarHBondContact O-N 2.03Å; E79-N161 PolarHBondContact OE1-ND2 3.47Å; E79-K178 WeakPolarHBondContact OE1-CE 3.4Å; E79-K178 IonicContact OE1-NZ 2.97Å; E79-K178 PolarHBondContact OE1-NZ 3.07Å; E79-T210 HydrophobicContact CB-CG2 4Å; E79-T210 HydrophobicContact CG-CG2 3.87Å; E79-T210 WeakPolarHBondContact OE1-CG2 3.38Å; E79-C211 WeakPolarHBondContact OE2-CB 3.21Å; E79-C211 PolarHBondContact OE2-SG 2.75Å; E79-P235 HydrophobicContact CB-CB 4.37Å; E79-T236 VanDerWaalsContact CB-C 3.47Å; E79-A237 HydrophobicContact CB-CB 4.22Å; E79-A237 HydrophobicContact CG-CB 4.33Å; E79-A237 WeakPolarHBondContact OE2-CB 3.38Å; E79-A237 PolarHBondContact OE2-N 3.32Å; E79-I267 WeakPolarHBondContact O-CD1 3.29Å; E79-I267 WeakPolarHBondContact O-CG1 3.48Å
80	D	98.8	Very high	98.2	Very high	4 Å²	4	28 Å²	28	2%	0.021	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	12.3	-179.4	-68.2	-21.9	0	0	0	114.7	I82 Y83 G84 W85 N138	D80-I82 PolarHBondContact O-N 3.14Å; D80-Y83 HydrophobicContact CB-CE2 4.25Å; D80-Y83 PolarHBondContact O-N 3.16Å; D80-Y83 WeakPolarHBondContact OD1-CE2 3.32Å; D80-Y83 VanDerWaalsContact OD1-CZ 3.28Å; D80-Y83 PolarHBondContact OD1-OH 3.01Å; D80-G84 WeakPolarHBondContact CB-O 3.47Å; D80-G84 WeakPolarHBondContact O-CA 3.29Å; D80-G84 PolarHBondContact O-N 2.7Å; D80-W85 HydrophobicContact CB-CE3 4.28Å; D80-W85 WeakPolarHBondContact OD2-CB 3.28Å; D80-N138 PolarHBondContact N-OD1 3.05Å
81	G	98.4	Very high	98.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-9.4	-175.2	0	0	0	0	0	114.7	H32 P78 E79	H32-G81 PolarHBondContact CD2-O 3.13Å; H32-G81 PolarHBondContact NE2-O 2.05Å; P78-G81 PolarHBondContact O-N 2.6Å; E79-G81 PolarHBondContact O-N 2.03Å
82	I	98.8	Very high	98.1	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-29.7	-177.6	-70.2	168.5	0	0	0	112.2	M53 N56 L57 L60 D80 A137 I139	M53-I82 HydrophobicContact CB-CG2 3.53Å; M53-I82 HydrophobicContact CG-CG2 3.53Å; M53-I82 HydrophobicContact SD-CG2 3.84Å; N56-I82 PolarHBondContact ND2-O 2.89Å; L57-I82 HydrophobicContact CD2-CD1 3.81Å; L57-I82 HydrophobicContact CD2-CG1 4.18Å; L57-I82 HydrophobicContact CG-CD1 4.45Å; L57-I82 HydrophobicContact CG-CG1 4.44Å; L60-I82 HydrophobicContact CD1-CD1 4.49Å; L60-I82 HydrophobicContact CD1-CG1 3.97Å; D80-I82 PolarHBondContact O-N 3.14Å; I82-A137 HydrophobicContact CD1-CB 4.44Å; I82-I139 HydrophobicContact CD1-CG2 3.46Å; I82-I139 VanDerWaalsContact CD1-CG2 3.46Å
83	Y	98.5	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137	-8.4	-173.8	57.1	-110.7	0	0	0	115.5	P37 M53 D80 F87 L92 Y95 N138 F188	P37-Y83 WeakPolarHBondContact CD-O 3.18Å; M53-Y83 HydrophobicContact SD-CD1 4.43Å; D80-Y83 HydrophobicContact CB-CE2 4.25Å; D80-Y83 PolarHBondContact O-N 3.16Å; D80-Y83 WeakPolarHBondContact OD1-CE2 3.32Å; D80-Y83 VanDerWaalsContact OD1-CZ 3.28Å; D80-Y83 PolarHBondContact OD1-OH 3.01Å; Y83-F87 HydrophobicContact CD2-CD2 4.37Å; Y83-F87 AromaticContact CD2-CE2 3.66Å; Y83-F87 HydrophobicContact CD2-CE2 3.66Å; Y83-F87 HydrophobicContact CD2-CZ 4.25Å; Y83-F87 HydrophobicContact CE2-CE2 4.44Å; Y83-F87 VanDerWaalsContact O-CE2 3.29Å; Y83-F87 WeakPolarHBondContact O-CE2 3.29Å; Y83-F87 WeakPolarHBondContact O-CZ 3.43Å; Y83-L92 HydrophobicContact CD2-CD1 4.29Å; Y83-L92 HydrophobicContact CE2-CD1 4.28Å; Y83-Y95 HydrophobicContact CG-CD1 4.43Å; Y83-N138 PolarHBondContact OH-OD1 3.02Å; Y83-F188 HydrophobicContact CE2-CZ 4.43Å
84	G	98.3	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.			trans	80.4	-168.3	-178.7	0	0	0	0	0	114.4	D80 F87	D80-G84 WeakPolarHBondContact CB-O 3.47Å; D80-G84 WeakPolarHBondContact O-CA 3.29Å; D80-G84 PolarHBondContact O-N 2.7Å; G84-F87 WeakPolarHBondContact O-CE2 3.48Å
85	W	97.7	Very high	98.1	Very high	30 Å²	30	25.1 Å²	25.1	11%	0.114	13%	0.125	C	C	.	.	S	Bend	trans	-122.4	0.3	-168.6	46.8	79.2	0	0	0	115	V34 L36 D80 F87 I267 Y269 K272 M274	V34-W85 HydrophobicContact CG1-CH2 3.64Å; V34-W85 HydrophobicContact CG1-CZ3 3.58Å; L36-W85 HydrophobicContact CD1-CH2 4.49Å; L36-W85 HydrophobicContact CD1-CZ2 4.04Å; L36-W85 HydrophobicContact CD2-CE3 4.44Å; L36-W85 HydrophobicContact CD2-CH2 3.92Å; L36-W85 HydrophobicContact CD2-CZ2 3.97Å; L36-W85 HydrophobicContact CD2-CZ3 4.16Å; D80-W85 HydrophobicContact CB-CE3 4.28Å; D80-W85 WeakPolarHBondContact OD2-CB 3.28Å; W85-F87 PolarHBondContact O-N 3.19Å; W85-I267 HydrophobicContact CH2-CG2 3.63Å; W85-I267 HydrophobicContact CZ3-CB 4.31Å; W85-I267 HydrophobicContact CZ3-CD1 4.16Å; W85-I267 HydrophobicContact CZ3-CG1 3.93Å; W85-I267 HydrophobicContact CZ3-CG2 3.6Å; W85-Y269 HydrophobicContact CH2-CD1 4.05Å; W85-Y269 HydrophobicContact CH2-CD2 4.42Å; W85-Y269 AromaticContact CH2-CG 3.9Å; W85-Y269 HydrophobicContact CH2-CG 3.9Å; W85-Y269 AromaticContact CZ2-CD1 3.58Å; W85-Y269 HydrophobicContact CZ2-CD1 3.58Å; W85-Y269 HydrophobicContact CZ2-CD2 4.5Å; W85-Y269 AromaticContact CZ2-CE1 3.9Å; W85-Y269 HydrophobicContact CZ2-CE1 3.9Å; W85-Y269 AromaticContact CZ2-CG 3.91Å; W85-Y269 HydrophobicContact CZ2-CG 3.91Å; W85-K272 HydrophobicContact CZ2-CD 4.21Å; W85-M274 HydrophobicContact CH2-SD 3.93Å; W85-M274 HydrophobicContact CZ2-SD 4.09Å; W85-M274 HydrophobicContact CZ3-SD 4.2Å
86	N	95.6	Very high	98.1	Very high	82 Å²	82	25.1 Å²	25.1	44%	0.439	13%	0.125	S	C	.	.			trans	-93	80.9	-174.7	-71.2	-24.9	0	0	0	111.8
87	F	96.9	Very high	98.1	Very high	23 Å²	23	25.3 Å²	25.3	10%	0.101	13%	0.126	C	C	.	.			trans	-136.9	156.4	-174.5	-68.3	-76.5	0	0	0	114.8	P37 Y83 G84 W85 L92 Y95 Q187	P37-F87 HydrophobicContact CG-CE1 4.45Å; P37-F87 HydrophobicContact CG-CE2 4.47Å; P37-F87 HydrophobicContact CG-CZ 3.86Å; Y83-F87 HydrophobicContact CD2-CD2 4.37Å; Y83-F87 AromaticContact CD2-CE2 3.66Å; Y83-F87 HydrophobicContact CD2-CE2 3.66Å; Y83-F87 HydrophobicContact CD2-CZ 4.25Å; Y83-F87 HydrophobicContact CE2-CE2 4.44Å; Y83-F87 VanDerWaalsContact O-CE2 3.29Å; Y83-F87 WeakPolarHBondContact O-CE2 3.29Å; Y83-F87 WeakPolarHBondContact O-CZ 3.43Å; G84-F87 WeakPolarHBondContact O-CE2 3.48Å; W85-F87 PolarHBondContact O-N 3.19Å; F87-L92 HydrophobicContact CB-CB 3.93Å; F87-L92 HydrophobicContact CB-CD1 4.48Å; F87-L92 HydrophobicContact CD1-CB 4.03Å; F87-L92 HydrophobicContact CD1-CD1 4.19Å; F87-L92 HydrophobicContact CD2-CD1 4.01Å; F87-L92 HydrophobicContact CE1-CD1 4.45Å; F87-L92 HydrophobicContact CE2-CD1 4.32Å; F87-L92 HydrophobicContact CG-CB 4.04Å; F87-L92 HydrophobicContact CG-CD1 3.95Å; F87-Y95 AromaticContact CE1-CD2 3.76Å; F87-Y95 HydrophobicContact CE1-CD2 3.76Å; F87-Y95 AromaticContact CE1-CE2 3.5Å; F87-Y95 HydrophobicContact CE1-CE2 3.5Å; F87-Y95 HydrophobicContact CZ-CD2 4.17Å; F87-Y95 AromaticContact CZ-CE2 3.97Å; F87-Y95 HydrophobicContact CZ-CE2 3.97Å; F87-Q187 HydrophobicContact CB-CB 3.91Å; F87-Q187 HydrophobicContact CB-CG 3.92Å
88	T	96.6	Very high	98.1	Very high	87 Å²	87	28.4 Å²	28.4	53%	0.534	14%	0.143	S	C	.	.			trans	-106.6	172.3	156	69.2	0	0	0	0	108.1	D90 S91 L92	T88-D90 PolarHBondContact O-N 3.15Å; T88-S91 PolarHBondContact N-OG 3.05Å; T88-S91 PolarHBondContact O-N 2.99Å; T88-S91 PolarHBondContact O-OG 3.33Å; T88-S91 PolarHBondContact OG1-N 3.32Å; T88-S91 PolarHBondContact OG1-OG 2.95Å; T88-L92 WeakPolarHBondContact O-CB 3.44Å; T88-L92 PolarHBondContact O-N 2.86Å
89	R	97.6	Very high	98.1	Very high	49 Å²	49	28.4 Å²	28.4	19%	0.185	14%	0.142	C	C	.	.	H	α-helix	trans	-53.8	-42.7	176.2	-67.9	-175.9	59.2	77.9	-2	112.9	Y93 D155 R157 Q159 E186 N189	R89-Y93 PolarHBondContact O-N 2.85Å; R89-D155 IonicContact CZ-OD1 3.61Å; R89-D155 IonicContact CZ-OD2 3.38Å; R89-D155 IonicContact NE-OD1 3.24Å; R89-D155 IonicContact NE-OD2 3.06Å; R89-D155 PolarHBondContact NE-OD2 3.28Å; R89-D155 IonicContact NH2-OD1 2.75Å; R89-D155 PolarHBondContact NH2-OD1 2.92Å; R89-D155 IonicContact NH2-OD2 3.66Å; R89-D155 PolarHBondContact NH2-OD2 3.16Å; R89-R157 PolarHBondContact NH2-O 3.39Å; R89-Q159 PolarHBondContact O-NE2 3.02Å; R89-Q159 PolarHBondContact O-OE1 3.33Å; R89-Q159 VanDerWaalsContact O-OE1 3.14Å; R89-E186 VanDerWaalsContact CG-O 3.32Å; R89-E186 WeakPolarHBondContact CG-O 3.47Å; R89-N189 PolarHBondContact NH1-ND2 2.92Å; R89-N189 PolarHBondContact NH1-OD1 3.35Å
90	D	97.1	Very high	98	Very high	91 Å²	91	28.9 Å²	28.9	49%	0.487	15%	0.146	S	C	.	.	H	α-helix	trans	-78.4	-37.3	-177.9	-67.2	-31.7	0	0	0	112.7	P43 T88 L92 Y93 R157	P43-D90 HydrophobicContact CG-CB 4.06Å; P43-D90 WeakPolarHBondContact CG-O 3.22Å; T88-D90 PolarHBondContact O-N 3.15Å; D90-L92 VanDerWaalsContact C-N 3.3Å; D90-L92 PolarHBondContact O-N 2.91Å; D90-Y93 PolarHBondContact O-N 3.27Å; D90-R157 IonicContact OD1-CZ 3.48Å; D90-R157 IonicContact OD1-NH1 3.33Å; D90-R157 IonicContact OD1-NH2 2.7Å; D90-R157 PolarHBondContact OD1-NH2 3.14Å
91	S	97.3	Very high	98	Very high	21 Å²	21	32.1 Å²	32.1	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-73	-24.7	178.5	69.5	0	0	0	0	112.9	T88 P94	T88-S91 PolarHBondContact N-OG 3.05Å; T88-S91 PolarHBondContact O-N 2.99Å; T88-S91 PolarHBondContact O-OG 3.33Å; T88-S91 PolarHBondContact OG1-N 3.32Å; T88-S91 PolarHBondContact OG1-OG 2.95Å; S91-P94 WeakPolarHBondContact O-CD 3.42Å
92	L	98.4	Very high	98	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-75.4	-33.6	173	-177.4	65	0	0	0	112.7	Y83 F87 T88 D90 P94 Y95 L96 Q187 F188	Y83-L92 HydrophobicContact CD2-CD1 4.29Å; Y83-L92 HydrophobicContact CE2-CD1 4.28Å; F87-L92 HydrophobicContact CB-CB 3.93Å; F87-L92 HydrophobicContact CB-CD1 4.48Å; F87-L92 HydrophobicContact CD1-CB 4.03Å; F87-L92 HydrophobicContact CD1-CD1 4.19Å; F87-L92 HydrophobicContact CD2-CD1 4.01Å; F87-L92 HydrophobicContact CE1-CD1 4.45Å; F87-L92 HydrophobicContact CE2-CD1 4.32Å; F87-L92 HydrophobicContact CG-CB 4.04Å; F87-L92 HydrophobicContact CG-CD1 3.95Å; T88-L92 WeakPolarHBondContact O-CB 3.44Å; T88-L92 PolarHBondContact O-N 2.86Å; D90-L92 VanDerWaalsContact C-N 3.3Å; D90-L92 PolarHBondContact O-N 2.91Å; L92-P94 VanDerWaalsContact C-N 3.31Å; L92-P94 WeakPolarHBondContact O-CD 3.32Å; L92-Y95 WeakPolarHBondContact O-CB 3.31Å; L92-Y95 WeakPolarHBondContact O-CD2 3.47Å; L92-Y95 PolarHBondContact O-N 3.24Å; L92-L96 HydrophobicContact CD1-CD2 4.23Å; L92-L96 HydrophobicContact CD2-CD1 4.49Å; L92-L96 HydrophobicContact CD2-CD2 3.89Å; L92-L96 HydrophobicContact CG-CD1 4.42Å; L92-L96 HydrophobicContact CG-CD2 3.75Å; L92-L96 HydrophobicContact CG-CG 4.14Å; L92-Q187 HydrophobicContact CB-CB 4.24Å; L92-Q187 HydrophobicContact CD2-CB 3.85Å; L92-Q187 HydrophobicContact CD2-CG 3.7Å; L92-F188 HydrophobicContact CD2-CD1 3.81Å; L92-F188 HydrophobicContact CD2-CE1 3.32Å; L92-F188 HydrophobicContact CD2-CZ 3.79Å
93	Y	98.4	Very high	98	Very high	106 Å²	106	41.6 Å²	41.6	42%	0.416	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-47.5	-40.9	-171.3	-176.5	-96.6	0	0	0	115.6	R89 D90 Y95 L96 K142 R157	R89-Y93 PolarHBondContact O-N 2.85Å; D90-Y93 PolarHBondContact O-N 3.27Å; Y93-Y95 PolarHBondContact O-N 2.73Å; Y93-L96 HydrophobicContact CD2-CD1 4.49Å; Y93-L96 PolarHBondContact O-N 2.82Å; Y93-K142 HydrophobicContact CE2-CD 4.03Å; Y93-R157 HydrophobicContact CD2-CG 4.41Å; Y93-R157 HydrophobicContact CE2-CG 4.27Å
94	P	98.4	Very high	98	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.091	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-62.7	-20.4	176.6	-21.8	34.1	0	0	0	114.5	P43 V44 R46 A49 S91 L92	P43-P94 HydrophobicContact CB-CG 4.24Å; V44-P94 HydrophobicContact CG2-CB 4.31Å; V44-P94 HydrophobicContact CG2-CG 4.42Å; V44-P94 WeakPolarHBondContact O-CG 3.37Å; R46-P94 WeakPolarHBondContact CD-O 3.27Å; R46-P94 PolarHBondContact NH1-O 3.16Å; A49-P94 HydrophobicContact CB-CB 3.85Å; S91-P94 WeakPolarHBondContact O-CD 3.42Å; L92-P94 VanDerWaalsContact C-N 3.31Å; L92-P94 WeakPolarHBondContact O-CD 3.32Å
95	Y	98.7	Very high	98	Very high	11 Å²	11	48.4 Å²	48.4	4%	0.043	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-84.5	-20.9	179.5	-64.3	-94.5	0	0	0	112.6	V44 R46 A49 L52 M53 Y83 F87 L92 Y93	V44-Y95 HydrophobicContact CG2-CE2 3.77Å; R46-Y95 VanDerWaalsContact NH1-C 3.27Å; R46-Y95 PolarHBondContact NH1-O 3.38Å; R46-Y95 VanDerWaalsContact NH1-O 3.1Å; A49-Y95 HydrophobicContact CB-CD1 3.69Å; A49-Y95 HydrophobicContact CB-CD2 3.92Å; A49-Y95 HydrophobicContact CB-CE1 3.59Å; A49-Y95 HydrophobicContact CB-CE2 3.82Å; A49-Y95 HydrophobicContact CB-CG 3.85Å; L52-Y95 HydrophobicContact CD2-CE1 3.94Å; M53-Y95 HydrophobicContact CE-CD1 4.22Å; M53-Y95 HydrophobicContact CG-CD1 3.75Å; M53-Y95 HydrophobicContact CG-CE1 4.23Å; M53-Y95 HydrophobicContact SD-CD1 3.82Å; Y83-Y95 HydrophobicContact CG-CD1 4.43Å; F87-Y95 AromaticContact CE1-CD2 3.76Å; F87-Y95 HydrophobicContact CE1-CD2 3.76Å; F87-Y95 AromaticContact CE1-CE2 3.5Å; F87-Y95 HydrophobicContact CE1-CE2 3.5Å; F87-Y95 HydrophobicContact CZ-CD2 4.17Å; F87-Y95 AromaticContact CZ-CE2 3.97Å; F87-Y95 HydrophobicContact CZ-CE2 3.97Å; L92-Y95 WeakPolarHBondContact O-CB 3.31Å; L92-Y95 WeakPolarHBondContact O-CD2 3.47Å; L92-Y95 PolarHBondContact O-N 3.24Å; Y93-Y95 PolarHBondContact O-N 2.73Å
96	L	98.8	Very high	98	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.			trans	-79.3	144.3	-170.2	-53.5	-178.8	0	0	0	114.2	R46 L92 Y93 G140 K142 Q159	R46-L96 PolarHBondContact NH1-O 3.27Å; L92-L96 HydrophobicContact CD1-CD2 4.23Å; L92-L96 HydrophobicContact CD2-CD1 4.49Å; L92-L96 HydrophobicContact CD2-CD2 3.89Å; L92-L96 HydrophobicContact CG-CD1 4.42Å; L92-L96 HydrophobicContact CG-CD2 3.75Å; L92-L96 HydrophobicContact CG-CG 4.14Å; Y93-L96 HydrophobicContact CD2-CD1 4.49Å; Y93-L96 PolarHBondContact O-N 2.82Å; L96-G140 WeakPolarHBondContact CA-O 3.32Å; L96-G140 VanDerWaalsContact CD2-CA 3.45Å; L96-K142 HydrophobicContact CB-CB 3.87Å; L96-K142 HydrophobicContact CB-CD 3.96Å; L96-K142 HydrophobicContact CB-CG 4.03Å; L96-K142 HydrophobicContact CD1-CB 3.94Å; L96-K142 PolarHBondContact O-NZ 2.95Å; L96-Q159 HydrophobicContact CD1-CB 3.83Å; L96-Q159 HydrophobicContact CD1-CG 3.63Å
97	E	98.8	Very high	98.2	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.019	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-118.4	157.2	168.6	-69.2	-174.6	179.1	0	0	110.7	R46 I99 T118 P119 V120 Q121 G140 D141 K142	R46-E97 IonicContact NH2-OE1 2.96Å; R46-E97 PolarHBondContact NH2-OE1 2.89Å; E97-I99 PolarHBondContact O-N 3.4Å; E97-T118 VanDerWaalsContact OE2-C 3.31Å; E97-T118 VanDerWaalsContact OE2-CA 3.25Å; E97-T118 WeakPolarHBondContact OE2-CA 3.47Å; E97-P119 WeakPolarHBondContact OE1-CD 3.24Å; E97-P119 WeakPolarHBondContact OE1-CG 3.46Å; E97-V120 WeakPolarHBondContact OE1-CB 3.33Å; E97-V120 WeakPolarHBondContact OE1-CG2 3.48Å; E97-V120 PolarHBondContact OE1-N 2.85Å; E97-Q121 WeakPolarHBondContact OE2-CG 3.29Å; E97-Q121 PolarHBondContact OE2-N 2.88Å; E97-Q121 PolarHBondContact OE2-NE2 2.67Å; E97-G140 PolarHBondContact N-O 2.9Å; E97-G140 VanDerWaalsContact N-O 3.15Å; E97-D141 CarbonylContact O-C 3.5Å; E97-D141 WeakPolarHBondContact O-CA 3.44Å; E97-K142 PolarHBondContact O-N 3.27Å
98	D	98.7	Very high	98.3	Very high	69 Å²	69	44.2 Å²	44.2	37%	0.369	23%	0.227	S	C	.	.			trans	-85.2	105.2	168.9	-167.3	-26.6	0	0	0	107.8	Q121 K143	D98-Q121 PolarHBondContact O-NE2 2.73Å; D98-K143 IonicContact OD1-NZ 3.35Å; D98-K143 PolarHBondContact OD1-NZ 3.46Å
99	I	98.9	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.			trans	-91.7	115.3	-176.9	-53.4	174.6	0	0	0	108.3	E97 Q121 I139 D141 K143 T162 V164 L172 R175	E97-I99 PolarHBondContact O-N 3.4Å; I99-Q121 HydrophobicContact CG1-CG 4.49Å; I99-I139 HydrophobicContact CD1-CD1 3.49Å; I99-I139 VanDerWaalsContact CD1-CD1 3.49Å; I99-I139 HydrophobicContact CD1-CG1 3.63Å; I99-I139 HydrophobicContact CG1-CD1 4.24Å; I99-D141 HydrophobicContact CB-CB 4.5Å; I99-D141 HydrophobicContact CD1-CB 3.89Å; I99-D141 HydrophobicContact CG1-CB 4.21Å; I99-D141 PolarHBondContact N-OD1 3.03Å; I99-K143 PolarHBondContact O-NZ 2.8Å; I99-T162 HydrophobicContact CD1-CG2 3.89Å; I99-V164 HydrophobicContact CD1-CG1 3.97Å; I99-V164 HydrophobicContact CG2-CG1 3.94Å; I99-L172 HydrophobicContact CG2-CD2 4.3Å; I99-R175 HydrophobicContact CG2-CG 3.85Å; I99-R175 PolarHBondContact O-NH1 3.2Å
100	P	98.6	Very high	98.4	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.091	23%	0.227	C	C	.	.			trans	-73.6	166.5	-176	34.6	-37.4	0	0	0	111.3	V104 W106 F115 L172	P100-V104 HydrophobicContact CB-CG1 4.32Å; P100-V104 HydrophobicContact CB-CG2 4.01Å; P100-V104 HydrophobicContact CG-CG2 4.03Å; P100-W106 HydrophobicContact CG-CE3 3.72Å; P100-W106 HydrophobicContact CG-CZ3 3.9Å; P100-F115 HydrophobicContact CB-CE1 4.46Å; P100-F115 HydrophobicContact CB-CE2 4.29Å; P100-F115 HydrophobicContact CB-CZ 4.27Å; P100-F115 HydrophobicContact CG-CD2 3.99Å; P100-F115 HydrophobicContact CG-CE2 3.95Å; P100-F115 HydrophobicContact CG-CG 4.48Å; P100-F115 HydrophobicContact CG-CZ 4.42Å; P100-L172 HydrophobicContact CG-CD2 4.23Å
101	D	98.6	Very high	98.4	Very high	73 Å²	73	43.1 Å²	43.1	39%	0.39	23%	0.225	S	C	.	.			trans	-65.5	135.7	170.1	-167.8	-68.2	0	0	0	110.6	E103 V104	D101-E103 PolarHBondContact O-N 3.19Å; D101-E103 WeakPolarHBondContact OD1-CB 3.48Å; D101-E103 WeakPolarHBondContact OD1-CG 3.38Å; D101-E103 PolarHBondContact OD1-N 3.37Å; D101-V104 WeakPolarHBondContact O-CG1 3.39Å; D101-V104 WeakPolarHBondContact O-CG2 3.32Å; D101-V104 PolarHBondContact O-N 3.18Å
102	P	98.3	Very high	98.4	Very high	25 Å²	25	43.6 Å²	43.6	16%	0.162	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-53.6	-24.2	177.2	-26.1	34.1	0	0	0	115.2	V104 N105 L172 R175	P102-V104 PolarHBondContact O-N 3.2Å; P102-V104 VanDerWaalsContact O-N 3.09Å; P102-N105 PolarHBondContact O-N 3.37Å; P102-L172 HydrophobicContact CB-CG 4.48Å; P102-L172 HydrophobicContact CG-CG 4.28Å; P102-R175 HydrophobicContact CG-CB 4.21Å
103	E	97.8	Very high	98.4	Very high	175 Å²	175	50.2 Å²	50.2	82%	0.818	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-57.3	-23	175.4	-73.6	-170.4	172.3	0	0	113.4	D101 N105	D101-E103 PolarHBondContact O-N 3.19Å; D101-E103 WeakPolarHBondContact OD1-CB 3.48Å; D101-E103 WeakPolarHBondContact OD1-CG 3.38Å; D101-E103 PolarHBondContact OD1-N 3.37Å; E103-N105 PolarHBondContact O-N 3.35Å
104	V	98.1	Very high	98.3	Very high	42 Å²	42	50.3 Å²	50.3	26%	0.255	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-64	-10.3	175.3	-59.2	0	0	0	0	113.4	P100 D101 P102 W106 R114 F115	P100-V104 HydrophobicContact CB-CG1 4.32Å; P100-V104 HydrophobicContact CB-CG2 4.01Å; P100-V104 HydrophobicContact CG-CG2 4.03Å; D101-V104 WeakPolarHBondContact O-CG1 3.39Å; D101-V104 WeakPolarHBondContact O-CG2 3.32Å; D101-V104 PolarHBondContact O-N 3.18Å; P102-V104 PolarHBondContact O-N 3.2Å; P102-V104 VanDerWaalsContact O-N 3.09Å; V104-W106 HydrophobicContact CG2-CB 3.87Å; V104-R114 VanDerWaalsContact O-CZ 3.23Å; V104-R114 PolarHBondContact O-NH1 3.27Å; V104-R114 PolarHBondContact O-NH2 3.09Å; V104-F115 HydrophobicContact CB-CE2 4.46Å; V104-F115 HydrophobicContact CB-CZ 3.89Å; V104-F115 HydrophobicContact CG1-CZ 4.1Å; V104-F115 HydrophobicContact CG2-CE2 3.9Å; V104-F115 HydrophobicContact CG2-CZ 3.8Å
105	N	98.1	Very high	98.3	Very high	101 Å²	101	53.2 Å²	53.2	54%	0.54	27%	0.273	S	S	.	.			trans	52.5	70.6	176.8	-173.7	35.5	0	0	0	111.9	P102 E103 R114 K171	P102-N105 PolarHBondContact O-N 3.37Å; E103-N105 PolarHBondContact O-N 3.35Å; N105-R114 PolarHBondContact O-NH1 2.86Å; N105-K171 WeakPolarHBondContact OD1-CD 3.45Å; N105-K171 WeakPolarHBondContact OD1-CE 3.34Å; N105-K171 PolarHBondContact OD1-NZ 2.81Å
106	W	98.8	Very high	98.1	Very high	3 Å²	3	54.9 Å²	54.9	1%	0.011	29%	0.294	C	S	.	.			trans	-124.2	134.9	-171.3	179.7	45.8	0	0	0	112.3	P100 V104 P108 N111 F115 T118 Q121 K171 L172	P100-W106 HydrophobicContact CG-CE3 3.72Å; P100-W106 HydrophobicContact CG-CZ3 3.9Å; V104-W106 HydrophobicContact CG2-CB 3.87Å; W106-P108 HydrophobicContact CD2-CB 4.39Å; W106-P108 HydrophobicContact CD2-CG 3.75Å; W106-P108 VanDerWaalsContact CE2-CA 3.48Å; W106-P108 HydrophobicContact CE3-CG 3.69Å; W106-P108 HydrophobicContact CH2-CB 3.79Å; W106-P108 HydrophobicContact CH2-CG 3.62Å; W106-P108 HydrophobicContact CZ2-CB 3.54Å; W106-P108 HydrophobicContact CZ2-CG 3.69Å; W106-P108 HydrophobicContact CZ3-CB 4.33Å; W106-P108 HydrophobicContact CZ3-CG 3.64Å; W106-P108 WeakPolarHBondContact O-CD 3.42Å; W106-N111 PolarHBondContact NE1-O 2.9Å; W106-F115 HydrophobicContact CB-CE2 4.07Å; W106-F115 AromaticContact CD2-CD2 3.62Å; W106-F115 HydrophobicContact CD2-CD2 3.62Å; W106-F115 AromaticContact CD2-CE2 3.67Å; W106-F115 HydrophobicContact CD2-CE2 3.67Å; W106-F115 AromaticContact CE2-CD2 3.81Å; W106-F115 AromaticContact CE3-CD2 3.65Å; W106-F115 HydrophobicContact CE3-CD2 3.65Å; W106-F115 AromaticContact CE3-CE2 3.84Å; W106-F115 HydrophobicContact CE3-CE2 3.84Å; W106-F115 HydrophobicContact CG-CD2 4.19Å; W106-F115 AromaticContact CG-CE2 3.78Å; W106-F115 HydrophobicContact CG-CE2 3.78Å; W106-F115 HydrophobicContact CH2-CD2 4.09Å; W106-F115 HydrophobicContact CZ2-CD2 4.06Å; W106-F115 AromaticContact CZ3-CD2 3.88Å; W106-F115 HydrophobicContact CZ3-CD2 3.88Å; W106-T118 HydrophobicContact CH2-CG2 4.18Å; W106-T118 WeakPolarHBondContact CH2-OG1 3.27Å; W106-Q121 HydrophobicContact CH2-CB 4.37Å; W106-Q121 HydrophobicContact CZ3-CB 4.49Å; W106-K171 WeakPolarHBondContact O-CA 3.5Å; W106-K171 WeakPolarHBondContact O-CG 3.42Å; W106-L172 PolarHBondContact O-N 3.44Å
107	I	98.9	Very high	97.8	Very high	43 Å²	43	62.7 Å²	62.7	22%	0.221	33%	0.331	C	S	.	.			trans	-111	96.6	168.6	-58.6	172.5	0	0	0	106.3	C109 N110 N111 K171	I107-C109 HydrophobicContact CG2-CB 4.37Å; I107-C109 PolarHBondContact O-N 3Å; I107-N110 HydrophobicContact CB-CB 4.17Å; I107-N110 HydrophobicContact CG2-CB 3.98Å; I107-N110 PolarHBondContact O-N 3.21Å; I107-N111 PolarHBondContact O-N 2.63Å; I107-N111 VanDerWaalsContact O-N 3.11Å; I107-K171 HydrophobicContact CD1-CB 4.45Å; I107-K171 HydrophobicContact CG1-CB 3.73Å; I107-K171 HydrophobicContact CG1-CG 4.1Å
108	P	98.8	Very high	97.8	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-42.9	179.9	-26.4	29.8	0	0	0	113.5	W106 N110 N111 P112 Q121 E122 S125 F166	W106-P108 HydrophobicContact CD2-CB 4.39Å; W106-P108 HydrophobicContact CD2-CG 3.75Å; W106-P108 VanDerWaalsContact CE2-CA 3.48Å; W106-P108 HydrophobicContact CE3-CG 3.69Å; W106-P108 HydrophobicContact CH2-CB 3.79Å; W106-P108 HydrophobicContact CH2-CG 3.62Å; W106-P108 HydrophobicContact CZ2-CB 3.54Å; W106-P108 HydrophobicContact CZ2-CG 3.69Å; W106-P108 HydrophobicContact CZ3-CB 4.33Å; W106-P108 HydrophobicContact CZ3-CG 3.64Å; W106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-N110 PolarHBondContact O-N 2.95Å; P108-N110 VanDerWaalsContact O-N 3.11Å; P108-N111 CarbonylContact O-C 3.32Å; P108-N111 PolarHBondContact O-N 2.82Å; P108-P112 WeakPolarHBondContact O-CA 3.32Å; P108-P112 WeakPolarHBondContact O-CD 3.37Å; P108-Q121 HydrophobicContact CG-CB 4.45Å; P108-E122 HydrophobicContact CB-CB 4.41Å; P108-S125 WeakPolarHBondContact CD-OG 3.39Å; P108-F166 HydrophobicContact CG-CE1 3.8Å
109	C	98.6	Very high	97.8	Very high	36 Å²	36	61.5 Å²	61.5	24%	0.243	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.5	-180	-162.9	0	0	0	0	114.4	I107 S125 C126 K129	I107-C109 HydrophobicContact CG2-CB 4.37Å; I107-C109 PolarHBondContact O-N 3Å; C109-S125 WeakPolarHBondContact CB-OG 2.98Å; C109-S125 PolarHBondContact N-OG 2.93Å; C109-C126 WeakPolarHBondContact CA-SG 3.01Å; C109-C126 HydrophobicContact CB-CB 3.95Å; C109-C126 WeakPolarHBondContact CB-SG 3.27Å; C109-C126 WeakPolarHBondContact SG-CA 3.23Å; C109-C126 WeakPolarHBondContact SG-CB 3.29Å; C109-C126 CovalentContact SG-SG 2.04Å; C109-C126 PolarHBondContact SG-SG 2.74Å; C109-K129 HydrophobicContact CB-CD 4.4Å
110	N	98.6	Very high	97.8	Very high	88 Å²	88	61.7 Å²	61.7	47%	0.471	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-27.4	179.1	-67.5	-11.3	0	0	0	112.7	I107 P108 K129	I107-N110 HydrophobicContact CB-CB 4.17Å; I107-N110 HydrophobicContact CG2-CB 3.98Å; I107-N110 PolarHBondContact O-N 3.21Å; P108-N110 PolarHBondContact O-N 2.95Å; P108-N110 VanDerWaalsContact O-N 3.11Å; N110-K129 PolarHBondContact OD1-NZ 3.31Å
111	N	98	Very high	97.8	Very high	81 Å²	81	61 Å²	61	43%	0.433	32%	0.323	S	S	.	.			trans	-141.7	66.6	-175	-171.2	8.2	0	0	0	110.6	W106 I107 P108 N113 R114	W106-N111 PolarHBondContact NE1-O 2.9Å; I107-N111 PolarHBondContact O-N 2.63Å; I107-N111 VanDerWaalsContact O-N 3.11Å; P108-N111 CarbonylContact O-C 3.32Å; P108-N111 PolarHBondContact O-N 2.82Å; N111-N113 VanDerWaalsContact C-N 3.29Å; N111-N113 PolarHBondContact O-N 2.92Å; N111-R114 PolarHBondContact O-N 3.34Å
112	P	97	Very high	97.8	Very high	30 Å²	30	61 Å²	61	20%	0.195	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-67.4	-29.6	-169.2	25	-34.7	0	0	0	112.9	P108 R114 E122	P108-P112 WeakPolarHBondContact O-CA 3.32Å; P108-P112 WeakPolarHBondContact O-CD 3.37Å; P112-R114 VanDerWaalsContact C-N 3.3Å; P112-R114 PolarHBondContact O-N 3.47Å; P112-E122 VanDerWaalsContact CB-CD 3.44Å; P112-E122 HydrophobicContact CB-CG 4Å; P112-E122 WeakPolarHBondContact CB-OE2 3.38Å
113	N	96.8	Very high	97.8	Very high	139 Å²	139	62 Å²	62	74%	0.743	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-82.9	1.6	-174.8	-60.6	-48.8	0	0	0	114.4	N111 F115	N111-N113 VanDerWaalsContact C-N 3.29Å; N111-N113 PolarHBondContact O-N 2.92Å; N113-F115 VanDerWaalsContact C-N 3.33Å; N113-F115 PolarHBondContact O-N 2.84Å
114	R	98	Very high	97.9	Very high	108 Å²	108	53.7 Å²	53.7	41%	0.408	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-62.1	-37.5	-173.1	-175.2	176.4	175.5	-173.5	-3.9	113.3	V104 N105 N111 P112	V104-R114 VanDerWaalsContact O-CZ 3.23Å; V104-R114 PolarHBondContact O-NH1 3.27Å; V104-R114 PolarHBondContact O-NH2 3.09Å; N105-R114 PolarHBondContact O-NH1 2.86Å; N111-R114 PolarHBondContact O-N 3.34Å; P112-R114 VanDerWaalsContact C-N 3.3Å; P112-R114 PolarHBondContact O-N 3.47Å
115	F	97.1	Very high	97.9	Very high	75 Å²	75	51.7 Å²	51.7	33%	0.329	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-121.4	30.6	-174.5	-62	-69.6	0	0	0	112.5	P100 V104 W106 N113 T118	P100-F115 HydrophobicContact CB-CE1 4.46Å; P100-F115 HydrophobicContact CB-CE2 4.29Å; P100-F115 HydrophobicContact CB-CZ 4.27Å; P100-F115 HydrophobicContact CG-CD2 3.99Å; P100-F115 HydrophobicContact CG-CE2 3.95Å; P100-F115 HydrophobicContact CG-CG 4.48Å; P100-F115 HydrophobicContact CG-CZ 4.42Å; V104-F115 HydrophobicContact CB-CE2 4.46Å; V104-F115 HydrophobicContact CB-CZ 3.89Å; V104-F115 HydrophobicContact CG1-CZ 4.1Å; V104-F115 HydrophobicContact CG2-CE2 3.9Å; V104-F115 HydrophobicContact CG2-CZ 3.8Å; W106-F115 HydrophobicContact CB-CE2 4.07Å; W106-F115 AromaticContact CD2-CD2 3.62Å; W106-F115 HydrophobicContact CD2-CD2 3.62Å; W106-F115 AromaticContact CD2-CE2 3.67Å; W106-F115 HydrophobicContact CD2-CE2 3.67Å; W106-F115 AromaticContact CE2-CD2 3.81Å; W106-F115 AromaticContact CE3-CD2 3.65Å; W106-F115 HydrophobicContact CE3-CD2 3.65Å; W106-F115 AromaticContact CE3-CE2 3.84Å; W106-F115 HydrophobicContact CE3-CE2 3.84Å; W106-F115 HydrophobicContact CG-CD2 4.19Å; W106-F115 AromaticContact CG-CE2 3.78Å; W106-F115 HydrophobicContact CG-CE2 3.78Å; W106-F115 HydrophobicContact CH2-CD2 4.09Å; W106-F115 HydrophobicContact CZ2-CD2 4.06Å; W106-F115 AromaticContact CZ3-CD2 3.88Å; W106-F115 HydrophobicContact CZ3-CD2 3.88Å; N113-F115 VanDerWaalsContact C-N 3.33Å; N113-F115 PolarHBondContact O-N 2.84Å; F115-T118 HydrophobicContact CB-CG2 4.38Å
116	G	94.4	Very high	98	Very high	46 Å²	46	48.7 Å²	48.7	47%	0.474	26%	0.257	S	S	.	.	S	Bend	trans	80.4	-134.9	-180	0	0	0	0	0	112.5	T118	G116-T118 PolarHBondContact O-N 3.27Å
117	Q	93.7	Very high	98	Very high	165 Å²	165	48.8 Å²	48.8	77%	0.771	26%	0.258	S	S	*	.			trans	-94.3	96.3	-176.5	-67.5	-174.5	-0.3	0	0	111.4	P119	Q117-P119 WeakPolarHBondContact O-CD 3.15Å
118	T	98.1	Very high	98	Very high	4 Å²	4	46.7 Å²	46.7	3%	0.025	25%	0.247	C	C	.	.			trans	-124.9	52.1	179.7	55.8	0	0	0	0	112.6	E97 W106 F115 G116 V120 Q121 E122	E97-T118 VanDerWaalsContact OE2-C 3.31Å; E97-T118 VanDerWaalsContact OE2-CA 3.25Å; E97-T118 WeakPolarHBondContact OE2-CA 3.47Å; W106-T118 HydrophobicContact CH2-CG2 4.18Å; W106-T118 WeakPolarHBondContact CH2-OG1 3.27Å; F115-T118 HydrophobicContact CB-CG2 4.38Å; G116-T118 PolarHBondContact O-N 3.27Å; T118-V120 VanDerWaalsContact C-N 3.32Å; T118-V120 PolarHBondContact O-N 2.82Å; T118-Q121 PolarHBondContact O-N 2.79Å; T118-E122 WeakPolarHBondContact O-CB 3.24Å; T118-E122 PolarHBondContact O-N 3.32Å
119	P	98.7	Very high	98	Very high	44 Å²	44	50.4 Å²	50.4	29%	0.286	26%	0.263	S	S	.	.	H	α-helix	trans	-63.4	-30.7	-171.7	26.7	-37.9	0	0	0	114.4	L50 E97 Q117 R123	L50-P119 HydrophobicContact CD1-CG 4.07Å; L50-P119 HydrophobicContact CD2-CB 4.35Å; L50-P119 HydrophobicContact CD2-CG 3.5Å; L50-P119 VanDerWaalsContact CD2-CG 3.5Å; L50-P119 HydrophobicContact CG-CG 4.47Å; E97-P119 WeakPolarHBondContact OE1-CD 3.24Å; E97-P119 WeakPolarHBondContact OE1-CG 3.46Å; Q117-P119 WeakPolarHBondContact O-CD 3.15Å; P119-R123 WeakPolarHBondContact O-CB 3.48Å; P119-R123 PolarHBondContact O-N 3.21Å
120	V	98.9	Very high	98	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-71.5	-45.6	178.1	179	0	0	0	0	110.2	L50 M53 L57 E97 T118 E122 R123 L124 I139	L50-V120 HydrophobicContact CD2-CG2 3.93Å; M53-V120 HydrophobicContact CE-CG2 3.68Å; M53-V120 HydrophobicContact SD-CG2 4.06Å; L57-V120 HydrophobicContact CD1-CG1 4.27Å; E97-V120 WeakPolarHBondContact OE1-CB 3.33Å; E97-V120 WeakPolarHBondContact OE1-CG2 3.48Å; E97-V120 PolarHBondContact OE1-N 2.85Å; T118-V120 VanDerWaalsContact C-N 3.32Å; T118-V120 PolarHBondContact O-N 2.82Å; V120-E122 VanDerWaalsContact C-N 3.32Å; V120-E122 PolarHBondContact O-N 3.49Å; V120-R123 PolarHBondContact O-N 2.8Å; V120-L124 HydrophobicContact CG1-CD1 4.13Å; V120-L124 WeakPolarHBondContact O-CG 3.33Å; V120-L124 PolarHBondContact O-N 2.95Å; V120-I139 HydrophobicContact CG1-CD1 4.39Å; V120-I139 HydrophobicContact CG1-CG2 3.84Å
121	Q	98.9	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-40	173.3	-68.1	170.7	81.4	0	0	112	E97 D98 I99 W106 P108 T118 S125 I139 F166	E97-Q121 WeakPolarHBondContact OE2-CG 3.29Å; E97-Q121 PolarHBondContact OE2-N 2.88Å; E97-Q121 PolarHBondContact OE2-NE2 2.67Å; D98-Q121 PolarHBondContact O-NE2 2.73Å; I99-Q121 HydrophobicContact CG1-CG 4.49Å; W106-Q121 HydrophobicContact CH2-CB 4.37Å; W106-Q121 HydrophobicContact CZ3-CB 4.49Å; P108-Q121 HydrophobicContact CG-CB 4.45Å; T118-Q121 PolarHBondContact O-N 2.79Å; Q121-S125 WeakPolarHBondContact O-CB 3.41Å; Q121-S125 PolarHBondContact O-N 2.73Å; Q121-I139 HydrophobicContact CG-CD1 4.04Å; Q121-F166 HydrophobicContact CB-CZ 4.22Å
122	E	98.9	Very high	98.1	Very high	73 Å²	73	53.1 Å²	53.1	34%	0.341	28%	0.275	S	S	.	.	H	α-helix	trans	-58.2	-50.3	173.8	-176.9	-176.8	168	0	0	111.7	P108 P112 T118 V120 S125 C126	P108-E122 HydrophobicContact CB-CB 4.41Å; P112-E122 VanDerWaalsContact CB-CD 3.44Å; P112-E122 HydrophobicContact CB-CG 4Å; P112-E122 WeakPolarHBondContact CB-OE2 3.38Å; T118-E122 WeakPolarHBondContact O-CB 3.24Å; T118-E122 PolarHBondContact O-N 3.32Å; V120-E122 VanDerWaalsContact C-N 3.32Å; V120-E122 PolarHBondContact O-N 3.49Å; E122-S125 WeakPolarHBondContact O-CB 3.27Å; E122-S125 PolarHBondContact O-N 2.86Å; E122-C126 PolarHBondContact O-N 3.01Å; E122-C126 PolarHBondContact O-SG 3.37Å
123	R	98.9	Very high	98.1	Very high	46 Å²	46	51.7 Å²	51.7	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-63	-46.6	-178.1	-172.6	165.7	-177.2	-170.4	-0.9	111.7	N54 L57 D58 E61 P119 V120 C126 L127	N54-R123 PolarHBondContact O-NH1 2.94Å; N54-R123 WeakPolarHBondContact OD1-CD 3.4Å; N54-R123 PolarHBondContact OD1-NH1 2.84Å; L57-R123 HydrophobicContact CD1-CG 4.41Å; D58-R123 IonicContact OD1-CZ 3.98Å; D58-R123 VanDerWaalsContact OD1-CZ 3.24Å; D58-R123 IonicContact OD1-NH1 3.86Å; D58-R123 PolarHBondContact OD1-NH1 2.84Å; D58-R123 IonicContact OD1-NH2 2.87Å; D58-R123 PolarHBondContact OD1-NH2 2.91Å; E61-R123 IonicContact OE2-NH2 2.65Å; E61-R123 PolarHBondContact OE2-NH2 3.09Å; P119-R123 WeakPolarHBondContact O-CB 3.48Å; P119-R123 PolarHBondContact O-N 3.21Å; V120-R123 PolarHBondContact O-N 2.8Å; R123-C126 PolarHBondContact O-N 3.01Å; R123-L127 HydrophobicContact CG-CD1 4.3Å; R123-L127 VanDerWaalsContact O-CG 3.29Å; R123-L127 WeakPolarHBondContact O-CG 3.33Å; R123-L127 PolarHBondContact O-N 2.81Å
124	L	98.9	Very high	98.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-44.3	177.4	-71.1	168.8	0	0	0	112.3	L57 V120 C126 L127 A128 V135 A137 I139 V164 F166	L57-L124 HydrophobicContact CD2-CD2 3.66Å; L57-L124 HydrophobicContact CD2-CG 4.19Å; V120-L124 HydrophobicContact CG1-CD1 4.13Å; V120-L124 WeakPolarHBondContact O-CG 3.33Å; V120-L124 PolarHBondContact O-N 2.95Å; L124-C126 VanDerWaalsContact C-N 3.33Å; L124-C126 PolarHBondContact O-N 2.97Å; L124-L127 PolarHBondContact O-N 2.74Å; L124-A128 PolarHBondContact O-N 2.7Å; L124-V135 HydrophobicContact CD2-CG1 4.3Å; L124-A137 HydrophobicContact CD1-CB 4.03Å; L124-A137 HydrophobicContact CD2-CB 3.93Å; L124-I139 HydrophobicContact CD1-CG2 4.18Å; L124-V164 HydrophobicContact CD1-CG2 4.18Å; L124-F166 HydrophobicContact CB-CD2 3.66Å; L124-F166 HydrophobicContact CB-CE2 3.41Å; L124-F166 VanDerWaalsContact CB-CE2 3.41Å; L124-F166 HydrophobicContact CB-CZ 4.25Å; L124-F166 HydrophobicContact CD1-CE2 4.02Å; L124-F166 HydrophobicContact CG-CE2 4.37Å
125	S	98.9	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-44.7	173.5	172.7	0	0	0	0	112.1	P108 C109 Q121 E122 A128 K129 G170	P108-S125 WeakPolarHBondContact CD-OG 3.39Å; C109-S125 WeakPolarHBondContact CB-OG 2.98Å; C109-S125 PolarHBondContact N-OG 2.93Å; Q121-S125 WeakPolarHBondContact O-CB 3.41Å; Q121-S125 PolarHBondContact O-N 2.73Å; E122-S125 WeakPolarHBondContact O-CB 3.27Å; E122-S125 PolarHBondContact O-N 2.86Å; S125-A128 PolarHBondContact O-N 2.97Å; S125-K129 WeakPolarHBondContact O-CB 3.34Å; S125-K129 PolarHBondContact O-N 2.77Å; S125-G170 WeakPolarHBondContact CB-O 3.41Å; S125-G170 VanDerWaalsContact O-CA 3.26Å; S125-G170 WeakPolarHBondContact O-CA 3.26Å; S125-G170 PolarHBondContact OG-O 3.49Å
126	C	98.9	Very high	98.4	Very high	37 Å²	37	37.9 Å²	37.9	25%	0.25	20%	0.201	C	C	.	.	H	α-helix	trans	-68.6	-37	177.4	-72.6	0	0	0	0	112.9	C109 E122 R123 L124 K129 K130	C109-C126 WeakPolarHBondContact CA-SG 3.01Å; C109-C126 HydrophobicContact CB-CB 3.95Å; C109-C126 WeakPolarHBondContact CB-SG 3.27Å; C109-C126 WeakPolarHBondContact SG-CA 3.23Å; C109-C126 WeakPolarHBondContact SG-CB 3.29Å; C109-C126 CovalentContact SG-SG 2.04Å; C109-C126 PolarHBondContact SG-SG 2.74Å; E122-C126 PolarHBondContact O-N 3.01Å; E122-C126 PolarHBondContact O-SG 3.37Å; R123-C126 PolarHBondContact O-N 3.01Å; L124-C126 VanDerWaalsContact C-N 3.33Å; L124-C126 PolarHBondContact O-N 2.97Å; C126-K129 PolarHBondContact O-N 2.81Å; C126-K130 WeakPolarHBondContact O-CB 3.25Å; C126-K130 PolarHBondContact O-N 2.83Å
127	L	98.9	Very high	98.6	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-45.9	174.6	-73.4	171.4	0	0	0	111.2	E61 I64 R123 L124 N131	E61-L127 HydrophobicContact CB-CD1 4.42Å; E61-L127 HydrophobicContact CB-CD2 3.61Å; E61-L127 VanDerWaalsContact CD-CD2 3.42Å; E61-L127 HydrophobicContact CG-CD2 3.38Å; I64-L127 HydrophobicContact CD1-CB 4.38Å; I64-L127 HydrophobicContact CD1-CD1 4.04Å; R123-L127 HydrophobicContact CG-CD1 4.3Å; R123-L127 VanDerWaalsContact O-CG 3.29Å; R123-L127 WeakPolarHBondContact O-CG 3.33Å; R123-L127 PolarHBondContact O-N 2.81Å; L124-L127 PolarHBondContact O-N 2.74Å; L127-N131 WeakPolarHBondContact O-CB 3.49Å; L127-N131 PolarHBondContact O-N 3.5Å; L127-N131 PolarHBondContact O-ND2 3.28Å
128	A	98.9	Very high	98.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-51.9	176.2	0	0	0	0	0	111.5	L124 S125 N131 S132 I133 V135 F166 D167	L124-A128 PolarHBondContact O-N 2.7Å; S125-A128 PolarHBondContact O-N 2.97Å; A128-N131 PolarHBondContact O-N 3.39Å; A128-S132 WeakPolarHBondContact O-CA 3.41Å; A128-S132 PolarHBondContact O-N 3.35Å; A128-I133 WeakPolarHBondContact CA-O 3.43Å; A128-I133 WeakPolarHBondContact CB-O 3.49Å; A128-I133 PolarHBondContact O-N 3.49Å; A128-I133 VanDerWaalsContact O-N 3.15Å; A128-V135 HydrophobicContact CB-CB 4.06Å; A128-V135 HydrophobicContact CB-CG2 3.67Å; A128-F166 HydrophobicContact CB-CB 3.74Å; A128-D167 WeakPolarHBondContact CB-O 3.09Å
129	K	98.9	Very high	98.9	Very high	78 Å²	78	28 Å²	28	34%	0.339	14%	0.142	S	C	.	.	H	α-helix	trans	-61.6	-49	-179.3	-173.2	-176.7	177.4	-163.6	0	113.2	C109 N110 S125 C126 N131 S132 Q169	C109-K129 HydrophobicContact CB-CD 4.4Å; N110-K129 PolarHBondContact OD1-NZ 3.31Å; S125-K129 WeakPolarHBondContact O-CB 3.34Å; S125-K129 PolarHBondContact O-N 2.77Å; C126-K129 PolarHBondContact O-N 2.81Å; K129-N131 VanDerWaalsContact C-N 3.25Å; K129-N131 PolarHBondContact O-N 2.84Å; K129-S132 PolarHBondContact O-N 2.91Å; K129-Q169 WeakPolarHBondContact CG-O 3.44Å
130	K	98.8	Very high	98.9	Very high	148 Å²	148	26 Å²	26	64%	0.643	13%	0.13	S	C	*	.	H	α-helix	trans	-62.5	-34.9	-176.8	179.5	-176.3	169.3	-166	0	111.7	E61 C126	E61-K130 IonicContact OE1-NZ 2.87Å; E61-K130 PolarHBondContact OE1-NZ 3.42Å; C126-K130 WeakPolarHBondContact O-CB 3.25Å; C126-K130 PolarHBondContact O-N 2.83Å
131	N	98.8	Very high	98.9	Very high	31 Å²	31	25.8 Å²	25.8	17%	0.166	13%	0.129	C	C	.	.	H	α-helix	trans	-97	-3	-179.6	-66.5	-69.5	0	0	0	113.3	I64 A68 L127 A128 K129 I133	I64-N131 HydrophobicContact CG2-CB 4.38Å; A68-N131 HydrophobicContact CB-CB 3.74Å; L127-N131 WeakPolarHBondContact O-CB 3.49Å; L127-N131 PolarHBondContact O-N 3.5Å; L127-N131 PolarHBondContact O-ND2 3.28Å; A128-N131 PolarHBondContact O-N 3.39Å; K129-N131 VanDerWaalsContact C-N 3.25Å; K129-N131 PolarHBondContact O-N 2.84Å; N131-I133 HydrophobicContact CB-CG2 3.73Å; N131-I133 PolarHBondContact O-N 3.48Å
132	S	98.8	Very high	98.9	Very high	83 Å²	83	27.9 Å²	27.9	58%	0.58	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	42.3	-177.8	-60.5	0	0	0	0	113.3	A128 K129 S168	A128-S132 WeakPolarHBondContact O-CA 3.41Å; A128-S132 PolarHBondContact O-N 3.35Å; K129-S132 PolarHBondContact O-N 2.91Å; S132-S168 VanDerWaalsContact C-CB 3.48Å
133	I	98.9	Very high	98.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-130.1	145.7	-176	-168.9	175	0	0	0	109.7	I64 A67 A68 A72 I75 A128 N131 V135	I64-I133 HydrophobicContact CG2-CG2 3.81Å; A67-I133 HydrophobicContact CB-CD1 4.24Å; A68-I133 HydrophobicContact CB-CB 4.37Å; A68-I133 HydrophobicContact CB-CD1 4.32Å; A68-I133 HydrophobicContact CB-CG2 4.42Å; A72-I133 HydrophobicContact CB-CD1 3.71Å; A72-I133 WeakPolarHBondContact O-CD1 3.04Å; A72-I133 WeakPolarHBondContact O-CG1 3.3Å; I75-I133 HydrophobicContact CB-CD1 4.03Å; I75-I133 HydrophobicContact CG2-CD1 3.83Å; I75-I133 HydrophobicContact CG2-CG1 4.43Å; A128-I133 WeakPolarHBondContact CA-O 3.43Å; A128-I133 WeakPolarHBondContact CB-O 3.49Å; A128-I133 PolarHBondContact O-N 3.49Å; A128-I133 VanDerWaalsContact O-N 3.15Å; N131-I133 HydrophobicContact CB-CG2 3.73Å; N131-I133 PolarHBondContact O-N 3.48Å; I133-V135 HydrophobicContact CG2-CG2 3.99Å
134	Y	98.9	Very high	98.8	Very high	31 Å²	31	28.8 Å²	28.8	12%	0.122	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	131.3	168.2	-76.8	-110.2	0	0	0	109.6	H73 I74 I75 V165 F166 D167 F199 T201 F203	H73-Y134 WeakPolarHBondContact O-CD2 3.38Å; H73-Y134 PolarHBondContact O-N 3.12Å; I74-Y134 WeakPolarHBondContact CA-O 3.38Å; I75-Y134 PolarHBondContact N-O 3.28Å; Y134-V165 HydrophobicContact CD1-CG1 4.35Å; Y134-F166 CarbonylContact C-O 3.45Å; Y134-F166 VanDerWaalsContact CA-O 3.26Å; Y134-F166 WeakPolarHBondContact CA-O 3.26Å; Y134-D167 HydrophobicContact CD1-CB 3.98Å; Y134-D167 HydrophobicContact CE1-CB 3.46Å; Y134-D167 VanDerWaalsContact CE1-CB 3.46Å; Y134-D167 HydrophobicContact CE2-CB 4.4Å; Y134-F199 AromaticContact CD1-CE2 3.98Å; Y134-F199 HydrophobicContact CD1-CE2 3.98Å; Y134-F199 HydrophobicContact CE1-CD2 4.37Å; Y134-F199 AromaticContact CE1-CE2 3.98Å; Y134-F199 HydrophobicContact CE1-CE2 3.98Å; Y134-T201 HydrophobicContact CD1-CG2 4.43Å; Y134-T201 HydrophobicContact CE1-CG2 3.75Å; Y134-T201 HydrophobicContact CE2-CG2 4.42Å; Y134-F203 HydrophobicContact CD2-CE1 4.25Å; Y134-F203 AromaticContact CD2-CZ 3.76Å; Y134-F203 HydrophobicContact CD2-CZ 3.76Å; Y134-F203 AromaticContact CE2-CE1 3.95Å; Y134-F203 HydrophobicContact CE2-CE1 3.95Å; Y134-F203 AromaticContact CE2-CZ 3.79Å; Y134-F203 HydrophobicContact CE2-CZ 3.79Å; Y134-F203 HydrophobicContact CG-CZ 4.4Å
135	V	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123	178.8	177	0	0	0	0	109	I64 I75 L124 A128 I133 V165 F166	I64-V135 HydrophobicContact CD1-CG1 4.01Å; I64-V135 HydrophobicContact CD1-CG2 4.29Å; I64-V135 HydrophobicContact CG2-CG2 4.03Å; I75-V135 HydrophobicContact CG2-CG2 4.19Å; L124-V135 HydrophobicContact CD2-CG1 4.3Å; A128-V135 HydrophobicContact CB-CB 4.06Å; A128-V135 HydrophobicContact CB-CG2 3.67Å; I133-V135 HydrophobicContact CG2-CG2 3.99Å; V135-V165 WeakPolarHBondContact O-CA 3.49Å; V135-F166 PolarHBondContact N-O 3.2Å; V135-F166 PolarHBondContact O-N 3.04Å
136	V	98.9	Very high	98.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.2	173.5	-173.9	0	0	0	0	108	I74 I75 V76 T77 V164 V165 I208 L233 P235	I74-V136 HydrophobicContact CD1-CG2 3.9Å; I74-V136 HydrophobicContact CG1-CG2 4.07Å; I75-V136 PolarHBondContact O-N 3.11Å; V76-V136 HydrophobicContact CB-CB 4.37Å; V76-V136 HydrophobicContact CG1-CB 4.19Å; V76-V136 HydrophobicContact CG1-CG1 4.12Å; V76-V136 HydrophobicContact CG2-CB 4.22Å; V76-V136 HydrophobicContact CG2-CG2 4.16Å; T77-V136 PolarHBondContact N-O 3.13Å; T77-V136 PolarHBondContact OG1-O 2.95Å; T77-V136 VanDerWaalsContact OG1-O 3.04Å; V136-V164 WeakPolarHBondContact CA-O 3.22Å; V136-V165 HydrophobicContact CB-CG2 4.46Å; V136-V165 HydrophobicContact CG1-CG2 4.11Å; V136-V165 HydrophobicContact CG2-CG1 4.18Å; V136-V165 HydrophobicContact CG2-CG2 4.09Å; V136-I208 HydrophobicContact CG1-CD1 3.67Å; V136-L233 HydrophobicContact CG1-CB 4.38Å; V136-L233 HydrophobicContact CG1-CD1 4.43Å; V136-L233 HydrophobicContact CG2-CD1 3.62Å; V136-L233 HydrophobicContact CG2-CD2 4.26Å; V136-L233 HydrophobicContact CG2-CG 4.36Å; V136-P235 HydrophobicContact CG1-CG 4.08Å
137	A	98.9	Very high	98.4	Very high	1 Å²	1	40 Å²	40	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	159.4	-180	0	0	0	0	0	111.1	T77 I82 L124 D163 V164	T77-A137 WeakPolarHBondContact OG1-CA 3.21Å; I82-A137 HydrophobicContact CD1-CB 4.44Å; L124-A137 HydrophobicContact CD1-CB 4.03Å; L124-A137 HydrophobicContact CD2-CB 3.93Å; A137-D163 CarbonylContact O-C 3.27Å; A137-D163 WeakPolarHBondContact O-CA 3.35Å; A137-V164 HydrophobicContact CB-CG2 4.46Å; A137-V164 PolarHBondContact N-O 2.85Å; A137-V164 PolarHBondContact O-N 2.85Å
138	N	98.9	Very high	98.3	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	125.2	175.1	-177	-98.5	0	0	0	109.9	D80 Y83 N161 T162 D163 P235	D80-N138 PolarHBondContact N-OD1 3.05Å; Y83-N138 PolarHBondContact OH-OD1 3.02Å; N138-N161 PolarHBondContact ND2-OD1 2.84Å; N138-T162 CarbonylContact C-O 3.58Å; N138-T162 WeakPolarHBondContact CA-O 3.25Å; N138-D163 WeakPolarHBondContact CB-OD1 3.13Å; N138-D163 PolarHBondContact ND2-OD1 2.84Å; N138-P235 HydrophobicContact CB-CB 4.32Å
139	I	98.9	Very high	98.2	Very high	5 Å²	5	47 Å²	47	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	174.6	177.9	58.5	169.7	0	0	0	110.5	I82 I99 V120 Q121 L124 T162 V164	I82-I139 HydrophobicContact CD1-CG2 3.46Å; I82-I139 VanDerWaalsContact CD1-CG2 3.46Å; I99-I139 HydrophobicContact CD1-CD1 3.49Å; I99-I139 VanDerWaalsContact CD1-CD1 3.49Å; I99-I139 HydrophobicContact CD1-CG1 3.63Å; I99-I139 HydrophobicContact CG1-CD1 4.24Å; V120-I139 HydrophobicContact CG1-CD1 4.39Å; V120-I139 HydrophobicContact CG1-CG2 3.84Å; Q121-I139 HydrophobicContact CG-CD1 4.04Å; L124-I139 HydrophobicContact CD1-CG2 4.18Å; I139-T162 PolarHBondContact N-O 3.2Å; I139-T162 CarbonylContact O-C 3.5Å; I139-T162 VanDerWaalsContact O-CA 3.31Å; I139-T162 WeakPolarHBondContact O-CA 3.49Å; I139-T162 WeakPolarHBondContact O-CB 3.28Å; I139-T162 PolarHBondContact O-N 3.34Å; I139-V164 HydrophobicContact CD1-CG1 4.24Å; I139-V164 HydrophobicContact CD1-CG2 4.1Å; I139-V164 HydrophobicContact CG1-CG1 4.16Å; I139-V164 HydrophobicContact CG1-CG2 4.02Å
140	G	98.8	Very high	98	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.1	179.2	0	0	0	0	0	112.7	L96 E97 Y160	L96-G140 WeakPolarHBondContact CA-O 3.32Å; L96-G140 VanDerWaalsContact CD2-CA 3.45Å; E97-G140 PolarHBondContact N-O 2.9Å; E97-G140 VanDerWaalsContact N-O 3.15Å; G140-Y160 WeakPolarHBondContact CA-O 3.46Å
141	D	98.9	Very high	97.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146.4	172.9	-169.2	25.8	0	0	0	111.4	E97 I99 K143 Q159 Y160 T162 H177	E97-D141 CarbonylContact O-C 3.5Å; E97-D141 WeakPolarHBondContact O-CA 3.44Å; I99-D141 HydrophobicContact CB-CB 4.5Å; I99-D141 HydrophobicContact CD1-CB 3.89Å; I99-D141 HydrophobicContact CG1-CB 4.21Å; I99-D141 PolarHBondContact N-OD1 3.03Å; D141-K143 IonicContact OD1-NZ 3.98Å; D141-K143 PolarHBondContact OD1-NZ 2.79Å; D141-K143 WeakPolarHBondContact OD2-CE 3.42Å; D141-K143 IonicContact OD2-NZ 3.59Å; D141-K143 PolarHBondContact OD2-NZ 3.38Å; D141-Q159 CarbonylContact O-C 3.57Å; D141-Q159 VanDerWaalsContact O-CA 3.3Å; D141-Q159 WeakPolarHBondContact O-CA 3.3Å; D141-Y160 PolarHBondContact N-O 3.02Å; D141-Y160 PolarHBondContact O-N 2.89Å; D141-T162 HydrophobicContact CB-CG2 4.23Å; D141-T162 WeakPolarHBondContact CB-OG1 3.4Å; D141-T162 PolarHBondContact N-OG1 3.31Å; D141-H177 IonicContact OD2-CE1 2.95Å; D141-H177 IonicContact OD2-NE2 3.27Å; D141-H177 PolarHBondContact OD2-NE2 3.19Å
142	K	98.6	Very high	97.9	Very high	44 Å²	44	46.5 Å²	46.5	19%	0.191	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.6	164.4	63.9	-175.9	174.3	-144.5	0	110.8	Y93 L96 E97 Y158	Y93-K142 HydrophobicContact CE2-CD 4.03Å; L96-K142 HydrophobicContact CB-CB 3.87Å; L96-K142 HydrophobicContact CB-CD 3.96Å; L96-K142 HydrophobicContact CB-CG 4.03Å; L96-K142 HydrophobicContact CD1-CB 3.94Å; L96-K142 PolarHBondContact O-NZ 2.95Å; E97-K142 PolarHBondContact O-N 3.27Å; K142-Y158 WeakPolarHBondContact CA-O 3.42Å
143	K	98.4	Very high	97.8	Very high	43 Å²	43	43.3 Å²	43.3	19%	0.187	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	100.8	174	-64.8	-73.7	173.1	-92.2	0	109.5	D98 I99 D141 C145 R157 Y158 Y160	D98-K143 IonicContact OD1-NZ 3.35Å; D98-K143 PolarHBondContact OD1-NZ 3.46Å; I99-K143 PolarHBondContact O-NZ 2.8Å; D141-K143 IonicContact OD1-NZ 3.98Å; D141-K143 PolarHBondContact OD1-NZ 2.79Å; D141-K143 WeakPolarHBondContact OD2-CE 3.42Å; D141-K143 IonicContact OD2-NZ 3.59Å; D141-K143 PolarHBondContact OD2-NZ 3.38Å; K143-C145 PolarHBondContact O-N 3.34Å; K143-R157 CarbonylContact O-C 3.59Å; K143-R157 WeakPolarHBondContact O-CA 3.45Å; K143-Y158 HydrophobicContact CB-CD2 4.32Å; K143-Y158 PolarHBondContact N-O 2.97Å; K143-Y158 PolarHBondContact O-N 2.96Å; K143-Y160 HydrophobicContact CB-CE2 4.47Å; K143-Y160 HydrophobicContact CG-CD2 4.43Å; K143-Y160 HydrophobicContact CG-CE2 4.1Å
144	P	97.8	Very high	97.8	Very high	94 Å²	94	50.5 Å²	50.5	61%	0.61	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.6	137.1	175	-22.8	33.5	0	0	0	110.7
145	C	97.8	Very high	97.7	Very high	28 Å²	28	51.4 Å²	51.4	19%	0.189	31%	0.306	C	S	.	.			trans	-138.3	171.6	177.2	59.3	0	0	0	0	109.6	K143 C152 G156 Y158	K143-C145 PolarHBondContact O-N 3.34Å; C145-C152 HydrophobicContact CB-CB 3.69Å; C145-C152 WeakPolarHBondContact CB-SG 3.5Å; C145-C152 WeakPolarHBondContact SG-CA 3.15Å; C145-C152 WeakPolarHBondContact SG-CB 3.44Å; C145-C152 CovalentContact SG-SG 2.03Å; C145-C152 PolarHBondContact SG-SG 3.21Å; C145-G156 PolarHBondContact N-O 2.76Å; C145-G156 VanDerWaalsContact O-O 3.09Å; C145-Y158 HydrophobicContact CB-CD2 4.17Å; C145-Y158 HydrophobicContact CB-CE2 3.82Å
146	N	96.6	Very high	97.7	Very high	97 Å²	97	52.9 Å²	52.9	52%	0.519	32%	0.322	S	S	.	.			trans	-137.6	176.8	177.4	65.7	36.9	0	0	0	109.8	S148 D149 C152	N146-S148 PolarHBondContact O-N 3.15Å; N146-S148 VanDerWaalsContact OD1-CB 3.26Å; N146-S148 WeakPolarHBondContact OD1-CB 3.3Å; N146-S148 PolarHBondContact OD1-N 2.89Å; N146-S148 PolarHBondContact OD1-OG 3.3Å; N146-D149 PolarHBondContact O-N 2.96Å; N146-C152 WeakPolarHBondContact O-CB 3.38Å
147	T	94.4	Very high	97.6	Very high	149 Å²	149	54.4 Å²	54.4	91%	0.914	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-6.9	-176.3	53.8	0	0	0	0	115	D149	T147-D149 VanDerWaalsContact C-N 3.31Å
148	S	96.1	Very high	97.6	Very high	101 Å²	101	55.7 Å²	55.7	71%	0.706	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.7	170.2	74.5	0	0	0	0	112.7	N146 P150	N146-S148 PolarHBondContact O-N 3.15Å; N146-S148 VanDerWaalsContact OD1-CB 3.26Å; N146-S148 WeakPolarHBondContact OD1-CB 3.3Å; N146-S148 PolarHBondContact OD1-N 2.89Å; N146-S148 PolarHBondContact OD1-OG 3.3Å; S148-P150 WeakPolarHBondContact O-CD 3.5Å
149	D	96.6	Very high	97.6	Very high	52 Å²	52	55.7 Å²	55.7	28%	0.278	33%	0.332	S	S	.	.	S	Bend	trans	-86.8	112.1	166.9	175.2	4.9	0	0	0	109	N146 T147 Q151 C152 Y158	N146-D149 PolarHBondContact O-N 2.96Å; T147-D149 VanDerWaalsContact C-N 3.31Å; D149-Q151 PolarHBondContact O-N 3.01Å; D149-Q151 VanDerWaalsContact O-N 3.16Å; D149-Q151 PolarHBondContact OD1-N 3.11Å; D149-C152 HydrophobicContact CB-CB 4.06Å; D149-C152 VanDerWaalsContact O-CB 3.27Å; D149-C152 WeakPolarHBondContact O-CB 3.5Å; D149-C152 PolarHBondContact O-N 3.08Å; D149-C152 VanDerWaalsContact O-N 3.09Å; D149-Y158 VanDerWaalsContact CG-OH 3.31Å; D149-Y158 PolarHBondContact OD1-OH 3.33Å; D149-Y158 VanDerWaalsContact OD2-CE2 3.3Å; D149-Y158 WeakPolarHBondContact OD2-CE2 3.43Å; D149-Y158 PolarHBondContact OD2-OH 3.39Å
150	P	95.9	Very high	97.6	Very high	125 Å²	125	56.5 Å²	56.5	81%	0.812	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.2	-176.9	29.1	-36.3	0	0	0	113.8	S148	S148-P150 WeakPolarHBondContact O-CD 3.5Å
151	Q	96.4	Very high	97.6	Very high	97 Å²	97	56.5 Å²	56.5	45%	0.453	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-5.4	177.2	-64.8	-174.9	20.1	0	0	112.7	D149 P153 Y158	D149-Q151 PolarHBondContact O-N 3.01Å; D149-Q151 VanDerWaalsContact O-N 3.16Å; D149-Q151 PolarHBondContact OD1-N 3.11Å; Q151-P153 WeakPolarHBondContact O-CD 3.28Å; Q151-Y158 WeakPolarHBondContact CB-OH 3.16Å; Q151-Y158 PolarHBondContact O-OH 3.39Å
152	C	97.9	Very high	97.6	Very high	24 Å²	24	56.5 Å²	56.5	16%	0.162	33%	0.334	C	S	.	.			trans	-58.4	124	-177.6	-176.5	0	0	0	0	110.6	C145 N146 D149 Y158	C145-C152 HydrophobicContact CB-CB 3.69Å; C145-C152 WeakPolarHBondContact CB-SG 3.5Å; C145-C152 WeakPolarHBondContact SG-CA 3.15Å; C145-C152 WeakPolarHBondContact SG-CB 3.44Å; C145-C152 CovalentContact SG-SG 2.03Å; C145-C152 PolarHBondContact SG-SG 3.21Å; N146-C152 WeakPolarHBondContact O-CB 3.38Å; D149-C152 HydrophobicContact CB-CB 4.06Å; D149-C152 VanDerWaalsContact O-CB 3.27Å; D149-C152 WeakPolarHBondContact O-CB 3.5Å; D149-C152 PolarHBondContact O-N 3.08Å; D149-C152 VanDerWaalsContact O-N 3.09Å; C152-Y158 PolarHBondContact N-OH 3.08Å
153	P	97.8	Very high	97.7	Very high	16 Å²	16	54.4 Å²	54.4	10%	0.104	33%	0.325	C	S	.	.			trans	-55.9	149.6	176.3	-31.1	39.9	0	0	0	111.8	Q151 D155 G156 R157 Y158	Q151-P153 WeakPolarHBondContact O-CD 3.28Å; P153-D155 VanDerWaalsContact CB-OD1 3.26Å; P153-D155 WeakPolarHBondContact CB-OD1 3.26Å; P153-D155 PolarHBondContact O-N 3.21Å; P153-G156 PolarHBondContact O-N 3.04Å; P153-R157 WeakPolarHBondContact CG-O 3.31Å; P153-Y158 HydrophobicContact CG-CD1 3.94Å; P153-Y158 HydrophobicContact CG-CE1 4.15Å
154	P	97.4	Very high	97.7	Very high	150 Å²	150	52.3 Å²	52.3	97%	0.974	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.1	-176.6	-25.8	34.3	0	0	0	114.4	G156	P154-G156 VanDerWaalsContact C-N 3.33Å
155	D	97.5	Very high	97.7	Very high	51 Å²	51	47.9 Å²	47.9	27%	0.273	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	8.8	-177.8	71.9	-8.5	0	0	0	112.9	R89 P153 R157	R89-D155 IonicContact CZ-OD1 3.61Å; R89-D155 IonicContact CZ-OD2 3.38Å; R89-D155 IonicContact NE-OD1 3.24Å; R89-D155 IonicContact NE-OD2 3.06Å; R89-D155 PolarHBondContact NE-OD2 3.28Å; R89-D155 IonicContact NH2-OD1 2.75Å; R89-D155 PolarHBondContact NH2-OD1 2.92Å; R89-D155 IonicContact NH2-OD2 3.66Å; R89-D155 PolarHBondContact NH2-OD2 3.16Å; P153-D155 VanDerWaalsContact CB-OD1 3.26Å; P153-D155 WeakPolarHBondContact CB-OD1 3.26Å; P153-D155 PolarHBondContact O-N 3.21Å; D155-R157 VanDerWaalsContact CG-NH1 3.31Å; D155-R157 WeakPolarHBondContact O-CD 3.34Å; D155-R157 PolarHBondContact O-NH1 3.37Å; D155-R157 IonicContact OD1-CZ 2.74Å; D155-R157 IonicContact OD1-NE 3.06Å; D155-R157 IonicContact OD2-CZ 3.25Å; D155-R157 IonicContact OD2-NE 3.79Å; D155-R157 PolarHBondContact OD2-NE 2.81Å; D155-R157 IonicContact OD2-NH1 2.72Å; D155-R157 PolarHBondContact OD2-NH1 2.79Å; D155-R157 IonicContact OD2-NH2 2.71Å; D155-R157 PolarHBondContact OD2-NH2 3.3Å
156	G	98.1	Very high	97.8	Very high	31 Å²	31	46.5 Å²	46.5	32%	0.32	28%	0.278	S	S	.	.	S	Bend	trans	85.8	10.9	162.7	0	0	0	0	0	116.1	C145 P153 P154	C145-G156 PolarHBondContact N-O 2.76Å; C145-G156 VanDerWaalsContact O-O 3.09Å; P153-G156 PolarHBondContact O-N 3.04Å; P154-G156 VanDerWaalsContact C-N 3.33Å
157	R	98.4	Very high	97.9	Very high	31 Å²	31	43 Å²	43	12%	0.117	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	149	-179.8	72.5	-66.3	-177.2	164.5	-6.3	112.7	R89 D90 Y93 K143 P153 D155 Q159	R89-R157 PolarHBondContact NH2-O 3.39Å; D90-R157 IonicContact OD1-CZ 3.48Å; D90-R157 IonicContact OD1-NH1 3.33Å; D90-R157 IonicContact OD1-NH2 2.7Å; D90-R157 PolarHBondContact OD1-NH2 3.14Å; Y93-R157 HydrophobicContact CD2-CG 4.41Å; Y93-R157 HydrophobicContact CE2-CG 4.27Å; K143-R157 CarbonylContact O-C 3.59Å; K143-R157 WeakPolarHBondContact O-CA 3.45Å; P153-R157 WeakPolarHBondContact CG-O 3.31Å; D155-R157 VanDerWaalsContact CG-NH1 3.31Å; D155-R157 WeakPolarHBondContact O-CD 3.34Å; D155-R157 PolarHBondContact O-NH1 3.37Å; D155-R157 IonicContact OD1-CZ 2.74Å; D155-R157 IonicContact OD1-NE 3.06Å; D155-R157 IonicContact OD2-CZ 3.25Å; D155-R157 IonicContact OD2-NE 3.79Å; D155-R157 PolarHBondContact OD2-NE 2.81Å; D155-R157 IonicContact OD2-NH1 2.72Å; D155-R157 PolarHBondContact OD2-NH1 2.79Å; D155-R157 IonicContact OD2-NH2 2.71Å; D155-R157 PolarHBondContact OD2-NH2 3.3Å; R157-Q159 HydrophobicContact CG-CG 3.98Å
158	Y	98.8	Very high	98.1	Very high	29 Å²	29	37.3 Å²	37.3	11%	0.114	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	149.5	158.1	-55.4	-87.3	0	0	0	110.4	K142 K143 C145 D149 Q151 C152 P153 Y160 N189	K142-Y158 WeakPolarHBondContact CA-O 3.42Å; K143-Y158 HydrophobicContact CB-CD2 4.32Å; K143-Y158 PolarHBondContact N-O 2.97Å; K143-Y158 PolarHBondContact O-N 2.96Å; C145-Y158 HydrophobicContact CB-CD2 4.17Å; C145-Y158 HydrophobicContact CB-CE2 3.82Å; D149-Y158 VanDerWaalsContact CG-OH 3.31Å; D149-Y158 PolarHBondContact OD1-OH 3.33Å; D149-Y158 VanDerWaalsContact OD2-CE2 3.3Å; D149-Y158 WeakPolarHBondContact OD2-CE2 3.43Å; D149-Y158 PolarHBondContact OD2-OH 3.39Å; Q151-Y158 WeakPolarHBondContact CB-OH 3.16Å; Q151-Y158 PolarHBondContact O-OH 3.39Å; C152-Y158 PolarHBondContact N-OH 3.08Å; P153-Y158 HydrophobicContact CG-CD1 3.94Å; P153-Y158 HydrophobicContact CG-CE1 4.15Å; Y158-Y160 VanDerWaalsContact CB-CE2 3.45Å; Y158-Y160 VanDerWaalsContact CB-CZ 3.48Å; Y158-Y160 WeakPolarHBondContact CB-OH 3.29Å; Y158-Y160 WeakPolarHBondContact CD1-OH 3.33Å; Y158-Y160 HydrophobicContact CG-CE2 4.26Å; Y158-Y160 AromaticContact CG-CZ 3.95Å; Y158-Y160 VanDerWaalsContact CG-OH 3.31Å; Y158-N189 WeakPolarHBondContact CA-OD1 3.44Å; Y158-N189 HydrophobicContact CD1-CB 4.31Å
159	Q	98.9	Very high	98.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.3	176	-51.2	-170.8	167.4	0	0	108	R89 L96 D141 R157 Q187 F188 N189	R89-Q159 PolarHBondContact O-NE2 3.02Å; R89-Q159 PolarHBondContact O-OE1 3.33Å; R89-Q159 VanDerWaalsContact O-OE1 3.14Å; L96-Q159 HydrophobicContact CD1-CB 3.83Å; L96-Q159 HydrophobicContact CD1-CG 3.63Å; D141-Q159 CarbonylContact O-C 3.57Å; D141-Q159 VanDerWaalsContact O-CA 3.3Å; D141-Q159 WeakPolarHBondContact O-CA 3.3Å; R157-Q159 HydrophobicContact CG-CG 3.98Å; Q159-Q187 PolarHBondContact NE2-O 3.18Å; Q159-F188 CarbonylContact O-C 3.41Å; Q159-F188 WeakPolarHBondContact O-CA 3.42Å; Q159-N189 PolarHBondContact N-OD1 3.43Å; Q159-N189 PolarHBondContact O-N 2.91Å; Q159-N189 PolarHBondContact O-OD1 2.85Å
160	Y	98.9	Very high	98.3	Very high	23 Å²	23	35.2 Å²	35.2	9%	0.09	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.5	-175.2	-58.4	-70.2	0	0	0	112	G140 D141 K143 Y158 T162 H177 N189 P191	G140-Y160 WeakPolarHBondContact CA-O 3.46Å; D141-Y160 PolarHBondContact N-O 3.02Å; D141-Y160 PolarHBondContact O-N 2.89Å; K143-Y160 HydrophobicContact CB-CE2 4.47Å; K143-Y160 HydrophobicContact CG-CD2 4.43Å; K143-Y160 HydrophobicContact CG-CE2 4.1Å; Y158-Y160 VanDerWaalsContact CB-CE2 3.45Å; Y158-Y160 VanDerWaalsContact CB-CZ 3.48Å; Y158-Y160 WeakPolarHBondContact CB-OH 3.29Å; Y158-Y160 WeakPolarHBondContact CD1-OH 3.33Å; Y158-Y160 HydrophobicContact CG-CE2 4.26Å; Y158-Y160 AromaticContact CG-CZ 3.95Å; Y158-Y160 VanDerWaalsContact CG-OH 3.31Å; Y160-T162 PolarHBondContact O-N 2.78Å; Y160-T162 PolarHBondContact O-OG1 3.25Å; Y160-H177 WeakPolarHBondContact CB-CD2 3.1Å; Y160-H177 HydrophobicContact CD1-CB 4.18Å; Y160-H177 AromaticContact CD2-CD2 3.88Å; Y160-H177 AromaticContact CD2-CE1 3.85Å; Y160-H177 AromaticContact CD2-CG 3.98Å; Y160-H177 AromaticContact CD2-ND1 3.99Å; Y160-H177 AromaticContact CD2-NE2 3.82Å; Y160-H177 HydrophobicContact CG-CB 4.09Å; Y160-H177 AromaticContact CG-CD2 3.74Å; Y160-H177 AromaticContact CG-CG 3.73Å; Y160-N189 HydrophobicContact CD1-CB 4.17Å; Y160-N189 VanDerWaalsContact CD1-O 3.25Å; Y160-N189 WeakPolarHBondContact CD1-O 3.34Å; Y160-N189 HydrophobicContact CE1-CB 3.79Å; Y160-P191 HydrophobicContact CD1-CG 4.34Å; Y160-P191 HydrophobicContact CE1-CG 4.3Å
161	N	98.9	Very high	98.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.3	162.1	175.2	-32.4	0	0	0	106.3	E79 N138 H177 K178 E185 F188	E79-N161 PolarHBondContact OE1-ND2 3.47Å; N138-N161 PolarHBondContact ND2-OD1 2.84Å; N161-H177 WeakPolarHBondContact O-CA 3.39Å; N161-K178 HydrophobicContact CB-CB 3.93Å; N161-K178 HydrophobicContact CB-CD 4.29Å; N161-K178 WeakPolarHBondContact ND2-CD 3.42Å; N161-K178 PolarHBondContact O-N 2.7Å; N161-E185 PolarHBondContact ND2-OE1 3Å; N161-F188 HydrophobicContact CB-CD1 4.05Å; N161-F188 HydrophobicContact CB-CD2 3.77Å; N161-F188 HydrophobicContact CB-CE1 3.98Å; N161-F188 HydrophobicContact CB-CE2 3.74Å; N161-F188 HydrophobicContact CB-CG 3.94Å; N161-F188 HydrophobicContact CB-CZ 3.85Å
162	T	99	Very high	98.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	114.5	-160.7	-44.9	0	0	0	0	113.2	I99 N138 I139 D141 Y160 V164 R175 Y176 H177	I99-T162 HydrophobicContact CD1-CG2 3.89Å; N138-T162 CarbonylContact C-O 3.58Å; N138-T162 WeakPolarHBondContact CA-O 3.25Å; I139-T162 PolarHBondContact N-O 3.2Å; I139-T162 CarbonylContact O-C 3.5Å; I139-T162 VanDerWaalsContact O-CA 3.31Å; I139-T162 WeakPolarHBondContact O-CA 3.49Å; I139-T162 WeakPolarHBondContact O-CB 3.28Å; I139-T162 PolarHBondContact O-N 3.34Å; D141-T162 HydrophobicContact CB-CG2 4.23Å; D141-T162 WeakPolarHBondContact CB-OG1 3.4Å; D141-T162 PolarHBondContact N-OG1 3.31Å; Y160-T162 PolarHBondContact O-N 2.78Å; Y160-T162 PolarHBondContact O-OG1 3.25Å; T162-V164 HydrophobicContact CG2-CG1 4.32Å; T162-R175 HydrophobicContact CG2-CG 3.45Å; T162-R175 VanDerWaalsContact CG2-CG 3.45Å; T162-Y176 CarbonylContact C-O 3.55Å; T162-Y176 VanDerWaalsContact CA-O 3.25Å; T162-Y176 WeakPolarHBondContact CA-O 3.36Å; T162-H177 PolarHBondContact OG1-CD2 3.3Å
163	D	99	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	137.9	166.7	-66.8	-25.1	0	0	0	110.5	A137 N138 R175 Y176 I208 T210 P235	A137-D163 CarbonylContact O-C 3.27Å; A137-D163 WeakPolarHBondContact O-CA 3.35Å; N138-D163 WeakPolarHBondContact CB-OD1 3.13Å; N138-D163 PolarHBondContact ND2-OD1 2.84Å; D163-R175 CarbonylContact O-C 3.54Å; D163-R175 VanDerWaalsContact O-CA 3.28Å; D163-R175 WeakPolarHBondContact O-CA 3.35Å; D163-Y176 HydrophobicContact CB-CD1 4.43Å; D163-Y176 PolarHBondContact N-O 2.87Å; D163-Y176 PolarHBondContact O-N 3.28Å; D163-I208 HydrophobicContact CB-CD1 3.54Å; D163-I208 HydrophobicContact CB-CG1 4.06Å; D163-T210 PolarHBondContact OD2-OG1 2.89Å; D163-P235 WeakPolarHBondContact OD1-CG 3.43Å
164	V	99	Very high	98.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.3	174.2	-65.9	0	0	0	0	110.5	I99 L124 V136 A137 I139 T162 F166 L172 A174 R175	I99-V164 HydrophobicContact CD1-CG1 3.97Å; I99-V164 HydrophobicContact CG2-CG1 3.94Å; L124-V164 HydrophobicContact CD1-CG2 4.18Å; V136-V164 WeakPolarHBondContact CA-O 3.22Å; A137-V164 HydrophobicContact CB-CG2 4.46Å; A137-V164 PolarHBondContact N-O 2.85Å; A137-V164 PolarHBondContact O-N 2.85Å; I139-V164 HydrophobicContact CD1-CG1 4.24Å; I139-V164 HydrophobicContact CD1-CG2 4.1Å; I139-V164 HydrophobicContact CG1-CG1 4.16Å; I139-V164 HydrophobicContact CG1-CG2 4.02Å; T162-V164 HydrophobicContact CG2-CG1 4.32Å; V164-F166 HydrophobicContact CB-CE2 4.25Å; V164-F166 HydrophobicContact CG2-CE2 3.81Å; V164-L172 HydrophobicContact CB-CD1 4.14Å; V164-L172 HydrophobicContact CG1-CD1 4.37Å; V164-A174 WeakPolarHBondContact CA-O 3.49Å; V164-R175 HydrophobicContact CG1-CG 4.4Å
165	V	98.9	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.3	176.1	-173.1	0	0	0	0	110.3	Y134 V135 V136 V173 A174 F199 I208 L233	Y134-V165 HydrophobicContact CD1-CG1 4.35Å; V135-V165 WeakPolarHBondContact O-CA 3.49Å; V136-V165 HydrophobicContact CB-CG2 4.46Å; V136-V165 HydrophobicContact CG1-CG2 4.11Å; V136-V165 HydrophobicContact CG2-CG1 4.18Å; V136-V165 HydrophobicContact CG2-CG2 4.09Å; V165-V173 HydrophobicContact CB-CG2 3.94Å; V165-V173 HydrophobicContact CG1-CG2 3.7Å; V165-V173 WeakPolarHBondContact O-CG2 3.31Å; V165-V173 PolarHBondContact O-N 3.02Å; V165-A174 HydrophobicContact CB-CB 3.92Å; V165-A174 HydrophobicContact CG2-CB 3.85Å; V165-A174 PolarHBondContact N-O 3.09Å; V165-F199 HydrophobicContact CB-CE1 4.23Å; V165-F199 HydrophobicContact CB-CZ 4.46Å; V165-F199 HydrophobicContact CG1-CE1 3.96Å; V165-F199 HydrophobicContact CG1-CE2 4.21Å; V165-F199 HydrophobicContact CG1-CZ 3.69Å; V165-F199 HydrophobicContact CG2-CE1 3.87Å; V165-F199 HydrophobicContact CG2-CZ 4.36Å; V165-I208 HydrophobicContact CG2-CD1 3.86Å; V165-L233 HydrophobicContact CG2-CD1 4.34Å
166	F	98.9	Very high	98.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.8	170.3	-63.7	-80.5	0	0	0	110.1	P108 Q121 L124 A128 Y134 V135 V164 K171 L172	P108-F166 HydrophobicContact CG-CE1 3.8Å; Q121-F166 HydrophobicContact CB-CZ 4.22Å; L124-F166 HydrophobicContact CB-CD2 3.66Å; L124-F166 HydrophobicContact CB-CE2 3.41Å; L124-F166 VanDerWaalsContact CB-CE2 3.41Å; L124-F166 HydrophobicContact CB-CZ 4.25Å; L124-F166 HydrophobicContact CD1-CE2 4.02Å; L124-F166 HydrophobicContact CG-CE2 4.37Å; A128-F166 HydrophobicContact CB-CB 3.74Å; Y134-F166 CarbonylContact C-O 3.45Å; Y134-F166 VanDerWaalsContact CA-O 3.26Å; Y134-F166 WeakPolarHBondContact CA-O 3.26Å; V135-F166 PolarHBondContact N-O 3.2Å; V135-F166 PolarHBondContact O-N 3.04Å; V164-F166 HydrophobicContact CB-CE2 4.25Å; V164-F166 HydrophobicContact CG2-CE2 3.81Å; F166-K171 CarbonylContact C-O 3.51Å; F166-K171 VanDerWaalsContact CA-O 3.23Å; F166-K171 WeakPolarHBondContact CA-O 3.48Å; F166-L172 HydrophobicContact CD1-CB 4.25Å; F166-L172 HydrophobicContact CE1-CB 3.9Å; F166-L172 HydrophobicContact CE1-CD1 4Å; F166-L172 HydrophobicContact CZ-CD1 4.1Å
167	D	98.9	Very high	98.9	Very high	22 Å²	22	18.1 Å²	18.1	12%	0.118	9%	0.086	C	C	.	.			trans	-71.7	174.4	174.2	75.3	12.5	0	0	0	112.6	A128 Y134 Q169 G170 K171 V173	A128-D167 WeakPolarHBondContact CB-O 3.09Å; Y134-D167 HydrophobicContact CD1-CB 3.98Å; Y134-D167 HydrophobicContact CE1-CB 3.46Å; Y134-D167 VanDerWaalsContact CE1-CB 3.46Å; Y134-D167 HydrophobicContact CE2-CB 4.4Å; D167-Q169 PolarHBondContact O-N 3.21Å; D167-Q169 VanDerWaalsContact OD1-CA 3.31Å; D167-Q169 WeakPolarHBondContact OD1-CA 3.5Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.44Å; D167-Q169 PolarHBondContact OD1-N 3.15Å; D167-G170 WeakPolarHBondContact O-CA 3.3Å; D167-G170 PolarHBondContact O-N 2.64Å; D167-G170 PolarHBondContact OD1-N 2.83Å; D167-K171 PolarHBondContact N-O 2.9Å; D167-K171 WeakPolarHBondContact OD1-CB 3.37Å; D167-K171 PolarHBondContact OD1-N 2.92Å; D167-K171 WeakPolarHBondContact OD2-CB 3.37Å; D167-V173 HydrophobicContact CB-CG1 3.9Å; D167-V173 HydrophobicContact CB-CG2 4.41Å
168	S	98.6	Very high	98.9	Very high	31 Å²	31	16.8 Å²	16.8	22%	0.217	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-11	179.8	63.7	0	0	0	0	114.7	S132	S132-S168 VanDerWaalsContact C-CB 3.48Å
169	Q	98.8	Very high	98.9	Very high	108 Å²	108	16.8 Å²	16.8	51%	0.505	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.8	172.4	-57	-55.1	-61.5	0	0	112.4	K129 D167	K129-Q169 WeakPolarHBondContact CG-O 3.44Å; D167-Q169 PolarHBondContact O-N 3.21Å; D167-Q169 VanDerWaalsContact OD1-CA 3.31Å; D167-Q169 WeakPolarHBondContact OD1-CA 3.5Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.44Å; D167-Q169 PolarHBondContact OD1-N 3.15Å
170	G	98.8	Very high	98.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	83.4	13.1	-176.4	0	0	0	0	0	113.9	S125 D167	S125-G170 WeakPolarHBondContact CB-O 3.41Å; S125-G170 VanDerWaalsContact O-CA 3.26Å; S125-G170 WeakPolarHBondContact O-CA 3.26Å; S125-G170 PolarHBondContact OG-O 3.49Å; D167-G170 WeakPolarHBondContact O-CA 3.3Å; D167-G170 PolarHBondContact O-N 2.64Å; D167-G170 PolarHBondContact OD1-N 2.83Å
171	K	98.9	Very high	98.8	Very high	61 Å²	61	19 Å²	19	27%	0.265	10%	0.095	S	C	.	.			trans	-76.8	135.8	177.8	-172.1	-174.1	156.1	171	0	110.3	N105 W106 I107 F166 D167 V173	N105-K171 WeakPolarHBondContact OD1-CD 3.45Å; N105-K171 WeakPolarHBondContact OD1-CE 3.34Å; N105-K171 PolarHBondContact OD1-NZ 2.81Å; W106-K171 WeakPolarHBondContact O-CA 3.5Å; W106-K171 WeakPolarHBondContact O-CG 3.42Å; I107-K171 HydrophobicContact CD1-CB 4.45Å; I107-K171 HydrophobicContact CG1-CB 3.73Å; I107-K171 HydrophobicContact CG1-CG 4.1Å; F166-K171 CarbonylContact C-O 3.51Å; F166-K171 VanDerWaalsContact CA-O 3.23Å; F166-K171 WeakPolarHBondContact CA-O 3.48Å; D167-K171 PolarHBondContact N-O 2.9Å; D167-K171 WeakPolarHBondContact OD1-CB 3.37Å; D167-K171 PolarHBondContact OD1-N 2.92Å; D167-K171 WeakPolarHBondContact OD2-CB 3.37Å; K171-V173 HydrophobicContact CB-CG1 4.36Å; K171-V173 HydrophobicContact CD-CG1 4.27Å; K171-V173 HydrophobicContact CG-CG1 4.33Å; K171-V173 PolarHBondContact O-N 2.83Å
172	L	98.9	Very high	98.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	116.9	167.6	-179.5	65	0	0	0	109	I99 P100 P102 W106 V164 F166 A174	I99-L172 HydrophobicContact CG2-CD2 4.3Å; P100-L172 HydrophobicContact CG-CD2 4.23Å; P102-L172 HydrophobicContact CB-CG 4.48Å; P102-L172 HydrophobicContact CG-CG 4.28Å; W106-L172 PolarHBondContact O-N 3.44Å; V164-L172 HydrophobicContact CB-CD1 4.14Å; V164-L172 HydrophobicContact CG1-CD1 4.37Å; F166-L172 HydrophobicContact CD1-CB 4.25Å; F166-L172 HydrophobicContact CE1-CB 3.9Å; F166-L172 HydrophobicContact CE1-CD1 4Å; F166-L172 HydrophobicContact CZ-CD1 4.1Å; L172-A174 WeakPolarHBondContact CD1-O 3.42Å
173	V	98.9	Very high	98.4	Very high	33 Å²	33	27.3 Å²	27.3	20%	0.2	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-18	-176.7	-66.1	0	0	0	0	113.9	V165 D167 K171 F199	V165-V173 HydrophobicContact CB-CG2 3.94Å; V165-V173 HydrophobicContact CG1-CG2 3.7Å; V165-V173 WeakPolarHBondContact O-CG2 3.31Å; V165-V173 PolarHBondContact O-N 3.02Å; D167-V173 HydrophobicContact CB-CG1 3.9Å; D167-V173 HydrophobicContact CB-CG2 4.41Å; K171-V173 HydrophobicContact CB-CG1 4.36Å; K171-V173 HydrophobicContact CD-CG1 4.27Å; K171-V173 HydrophobicContact CG-CG1 4.33Å; K171-V173 PolarHBondContact O-N 2.83Å; V173-F199 HydrophobicContact CG2-CD2 4.19Å; V173-F199 HydrophobicContact CG2-CG 4.29Å
174	A	98.9	Very high	98.2	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.017	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	147.3	172.8	0	0	0	0	0	111	V164 V165 L172 V197 F199	V164-A174 WeakPolarHBondContact CA-O 3.49Å; V165-A174 HydrophobicContact CB-CB 3.92Å; V165-A174 HydrophobicContact CG2-CB 3.85Å; V165-A174 PolarHBondContact N-O 3.09Å; L172-A174 WeakPolarHBondContact CD1-O 3.42Å; A174-V197 HydrophobicContact CB-CG1 3.77Å; A174-F199 HydrophobicContact CB-CD1 3.87Å; A174-F199 HydrophobicContact CB-CE1 4.43Å
175	R	98.9	Very high	98.1	Very high	34 Å²	34	30.1 Å²	30.1	13%	0.128	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	126.5	168	-174.7	-164.2	73.7	-154.1	-5.8	106.9	I99 P102 T162 D163 V164 H177 V197	I99-R175 HydrophobicContact CG2-CG 3.85Å; I99-R175 PolarHBondContact O-NH1 3.2Å; P102-R175 HydrophobicContact CG-CB 4.21Å; T162-R175 HydrophobicContact CG2-CG 3.45Å; T162-R175 VanDerWaalsContact CG2-CG 3.45Å; D163-R175 CarbonylContact O-C 3.54Å; D163-R175 VanDerWaalsContact O-CA 3.28Å; D163-R175 WeakPolarHBondContact O-CA 3.35Å; V164-R175 HydrophobicContact CG1-CG 4.4Å; R175-H177 PolarHBondContact NE-CE1 3.15Å; R175-H177 VanDerWaalsContact NE-CE1 3.33Å; R175-H177 PolarHBondContact NE-NE2 2.82Å; R175-V197 WeakPolarHBondContact O-CG2 3.35Å
176	Y	98.9	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.4	178.7	167.1	-105.9	0	0	0	110.1	T162 D163 K178 Q179 E195 V197 I208 F209 T210 D213 P219	T162-Y176 CarbonylContact C-O 3.55Å; T162-Y176 VanDerWaalsContact CA-O 3.25Å; T162-Y176 WeakPolarHBondContact CA-O 3.36Å; D163-Y176 HydrophobicContact CB-CD1 4.43Å; D163-Y176 PolarHBondContact N-O 2.87Å; D163-Y176 PolarHBondContact O-N 3.28Å; Y176-K178 HydrophobicContact CE1-CB 4.48Å; Y176-Q179 PolarHBondContact OH-N 3.12Å; Y176-Q179 VanDerWaalsContact OH-N 3.13Å; Y176-E195 HydrophobicContact CD2-CB 4.05Å; Y176-E195 HydrophobicContact CE2-CB 4.26Å; Y176-E195 WeakPolarHBondContact CE2-O 3.47Å; Y176-V197 HydrophobicContact CD2-CB 4.4Å; Y176-V197 HydrophobicContact CD2-CG2 3.91Å; Y176-V197 HydrophobicContact CG-CG2 4.42Å; Y176-I208 HydrophobicContact CG-CG2 4.44Å; Y176-F209 HydrophobicContact CE1-CB 4.2Å; Y176-T210 WeakPolarHBondContact CE1-OG1 3.43Å; Y176-D213 WeakPolarHBondContact CE1-OD2 3.37Å; Y176-D213 PolarHBondContact OH-OD1 3.25Å; Y176-D213 PolarHBondContact OH-OD2 2.03Å; Y176-P219 HydrophobicContact CE2-CG 3.83Å; Y176-P219 WeakPolarHBondContact OH-CD 3.41Å; Y176-P219 WeakPolarHBondContact OH-CG 3.47Å
177	H	98.9	Very high	98	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.023	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.8	170.4	-57.3	133.1	0	0	0	110.9	D141 Y160 N161 T162 R175 Q179 P191 E195	D141-H177 IonicContact OD2-CE1 2.95Å; D141-H177 IonicContact OD2-NE2 3.27Å; D141-H177 PolarHBondContact OD2-NE2 3.19Å; Y160-H177 WeakPolarHBondContact CB-CD2 3.1Å; Y160-H177 HydrophobicContact CD1-CB 4.18Å; Y160-H177 AromaticContact CD2-CD2 3.88Å; Y160-H177 AromaticContact CD2-CE1 3.85Å; Y160-H177 AromaticContact CD2-CG 3.98Å; Y160-H177 AromaticContact CD2-ND1 3.99Å; Y160-H177 AromaticContact CD2-NE2 3.82Å; Y160-H177 HydrophobicContact CG-CB 4.09Å; Y160-H177 AromaticContact CG-CD2 3.74Å; Y160-H177 AromaticContact CG-CG 3.73Å; N161-H177 WeakPolarHBondContact O-CA 3.39Å; T162-H177 PolarHBondContact OG1-CD2 3.3Å; R175-H177 PolarHBondContact NE-CE1 3.15Å; R175-H177 VanDerWaalsContact NE-CE1 3.33Å; R175-H177 PolarHBondContact NE-NE2 2.82Å; H177-Q179 PolarHBondContact O-N 3.31Å; H177-P191 HydrophobicContact CB-CG 3.51Å; H177-E195 IonicContact CE1-OE1 3.83Å; H177-E195 IonicContact CG-OE1 3.35Å; H177-E195 IonicContact CG-OE2 2.75Å; H177-E195 PolarHBondContact N-OE2 3.01Å; H177-E195 IonicContact ND1-OE1 2.9Å; H177-E195 PolarHBondContact ND1-OE1 3.36Å; H177-E195 IonicContact ND1-OE2 3.72Å; H177-E195 PolarHBondContact ND1-OE2 3.33Å
178	K	98.9	Very high	98	Very high	3 Å²	3	36 Å²	36	1%	0.013	19%	0.185	C	C	.	.			trans	-53.5	122.7	179.6	-173.1	176.9	-178.9	-172.6	0	111.5	E79 N161 Y176 N180 L181 E185 P191 T210	E79-K178 WeakPolarHBondContact OE1-CE 3.4Å; E79-K178 IonicContact OE1-NZ 2.97Å; E79-K178 PolarHBondContact OE1-NZ 3.07Å; N161-K178 HydrophobicContact CB-CB 3.93Å; N161-K178 HydrophobicContact CB-CD 4.29Å; N161-K178 WeakPolarHBondContact ND2-CD 3.42Å; N161-K178 PolarHBondContact O-N 2.7Å; Y176-K178 HydrophobicContact CE1-CB 4.48Å; K178-N180 WeakPolarHBondContact CE-O 3.2Å; K178-L181 HydrophobicContact CB-CD2 4.42Å; K178-L181 HydrophobicContact CD-CD2 4.16Å; K178-L181 HydrophobicContact CG-CD2 4.3Å; K178-E185 IonicContact NZ-OE1 3.77Å; K178-E185 PolarHBondContact NZ-OE1 2.94Å; K178-E185 IonicContact NZ-OE2 3.79Å; K178-E185 PolarHBondContact NZ-OE2 3.49Å; K178-P191 VanDerWaalsContact O-CD 3.32Å; K178-P191 WeakPolarHBondContact O-CD 3.45Å; K178-T210 HydrophobicContact CD-CG2 4.22Å
179	Q	98.6	Very high	98	Very high	28 Å²	28	36.1 Å²	36.1	13%	0.131	18%	0.184	C	C	.	.	S	Bend	trans	-83.2	-45.8	-176.7	-176.9	60.3	28.2	0	0	112.2	Y176 H177 V190 P194	Y176-Q179 PolarHBondContact OH-N 3.12Å; Y176-Q179 VanDerWaalsContact OH-N 3.13Å; H177-Q179 PolarHBondContact O-N 3.31Å; Q179-V190 WeakPolarHBondContact O-CG1 3.39Å; Q179-P194 HydrophobicContact CG-CB 4.16Å; Q179-P194 HydrophobicContact CG-CG 4.21Å
180	N	98.4	Very high	98	Very high	32 Å²	32	34.6 Å²	34.6	17%	0.171	18%	0.181	C	C	.	.	S	Bend	trans	-103.2	87.4	-173.5	-56	-82.2	0	0	0	109.7	K178 F212 D213 F216 D218	K178-N180 WeakPolarHBondContact CE-O 3.2Å; N180-F212 HydrophobicContact CB-CD1 4.43Å; N180-D213 VanDerWaalsContact CB-OD1 3.28Å; N180-D213 WeakPolarHBondContact CB-OD1 3.24Å; N180-D213 PolarHBondContact N-OD1 3.06Å; N180-D213 PolarHBondContact ND2-OD1 2.8Å; N180-F216 HydrophobicContact CB-CD2 3.52Å; N180-F216 HydrophobicContact CB-CE2 3.78Å; N180-F216 HydrophobicContact CB-CG 4.18Å; N180-F216 VanDerWaalsContact CG-CD2 3.41Å; N180-F216 WeakPolarHBondContact OD1-CG 3.31Å; N180-D218 PolarHBondContact ND2-O 3.14Å
181	L	98.3	Very high	97.9	Very high	39 Å²	39	35 Å²	35	20%	0.204	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-66.3	138.7	175.4	-60.3	-178.4	0	0	0	111	K178 E185 F188 V190	K178-L181 HydrophobicContact CB-CD2 4.42Å; K178-L181 HydrophobicContact CD-CD2 4.16Å; K178-L181 HydrophobicContact CG-CD2 4.3Å; L181-E185 WeakPolarHBondContact CA-OE2 3.46Å; L181-E185 HydrophobicContact CB-CB 4.25Å; L181-E185 HydrophobicContact CD2-CB 4.48Å; L181-F188 HydrophobicContact CD1-CB 3.94Å; L181-F188 HydrophobicContact CD2-CB 4.04Å; L181-V190 HydrophobicContact CD1-CG2 3.79Å; L181-V190 HydrophobicContact CG-CG2 4.06Å
182	F	96.4	Very high	97.7	Very high	50 Å²	50	39.1 Å²	39.1	22%	0.219	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-75.6	158	171	-171.1	-109.7	0	0	0	110.7	G184 E185 F212 M239 E390	F182-G184 PolarHBondContact O-N 3.23Å; F182-E185 HydrophobicContact CB-CG 4.39Å; F182-E185 PolarHBondContact N-OE2 3.35Å; F182-E185 PolarHBondContact O-N 2.74Å; F182-F212 HydrophobicContact CB-CD1 4.4Å; F182-F212 HydrophobicContact CD2-CD1 4.2Å; F182-F212 HydrophobicContact CD2-CD2 4.05Å; F182-F212 HydrophobicContact CD2-CE1 4.14Å; F182-F212 AromaticContact CD2-CE2 4Å; F182-F212 HydrophobicContact CD2-CE2 4Å; F182-F212 HydrophobicContact CD2-CG 4.17Å; F182-F212 HydrophobicContact CD2-CZ 4.05Å; F182-F212 HydrophobicContact CE2-CE2 4.31Å; F182-F212 HydrophobicContact CE2-CZ 4.44Å; F182-M239 HydrophobicContact CD1-CE 4.23Å; F182-M239 HydrophobicContact CE1-CE 3.51Å; F182-M239 HydrophobicContact CZ-CE 3.95Å; F182-E390 HydrophobicContact CE2-CB 4.23Å; F182-E390 HydrophobicContact CZ-CB 4.31Å
183	M	93.4	Very high	97.6	Very high	124 Å²	124	45.2 Å²	45.2	61%	0.611	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	128.7	173.7	-178.1	179.9	70.1	0	0	110	E390	M183-E390 HydrophobicContact CE-CG 3.92Å
184	G	93.7	Very high	97.5	Very high	40 Å²	40	45.9 Å²	45.9	41%	0.412	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	96	3.7	-176	0	0	0	0	0	115	F182 E186 Q187	F182-G184 PolarHBondContact O-N 3.23Å; G184-E186 VanDerWaalsContact C-N 3.32Å; G184-E186 VanDerWaalsContact C-OE2 3.24Å; G184-E186 WeakPolarHBondContact CA-OE1 3.02Å; G184-E186 WeakPolarHBondContact CA-OE2 3.18Å; G184-E186 PolarHBondContact O-N 2.9Å; G184-Q187 PolarHBondContact O-OE1 3.07Å
185	E	97.7	Very high	97.5	Very high	20 Å²	20	48 Å²	48	9%	0.093	25%	0.245	C	C	.	.			trans	-92.4	39.3	172.3	-69.6	-168.7	97.6	0	0	112.7	N161 K178 L181 F182 Q187 F188	N161-E185 PolarHBondContact ND2-OE1 3Å; K178-E185 IonicContact NZ-OE1 3.77Å; K178-E185 PolarHBondContact NZ-OE1 2.94Å; K178-E185 IonicContact NZ-OE2 3.79Å; K178-E185 PolarHBondContact NZ-OE2 3.49Å; L181-E185 WeakPolarHBondContact CA-OE2 3.46Å; L181-E185 HydrophobicContact CB-CB 4.25Å; L181-E185 HydrophobicContact CD2-CB 4.48Å; F182-E185 HydrophobicContact CB-CG 4.39Å; F182-E185 PolarHBondContact N-OE2 3.35Å; F182-E185 PolarHBondContact O-N 2.74Å; E185-Q187 VanDerWaalsContact CA-OE1 3.28Å; E185-Q187 PolarHBondContact O-N 3.09Å; E185-Q187 VanDerWaalsContact O-N 3.07Å; E185-F188 HydrophobicContact CB-CD2 4.29Å; E185-F188 PolarHBondContact O-N 2.99Å
186	E	96.3	Very high	97.5	Very high	135 Å²	135	48.8 Å²	48.8	63%	0.631	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-11	-175.1	-56.6	90.2	176.9	0	0	114.2	R89 G184 F188	R89-E186 VanDerWaalsContact CG-O 3.32Å; R89-E186 WeakPolarHBondContact CG-O 3.47Å; G184-E186 VanDerWaalsContact C-N 3.32Å; G184-E186 VanDerWaalsContact C-OE2 3.24Å; G184-E186 WeakPolarHBondContact CA-OE1 3.02Å; G184-E186 WeakPolarHBondContact CA-OE2 3.18Å; G184-E186 PolarHBondContact O-N 2.9Å; E186-F188 PolarHBondContact O-N 2.94Å
187	Q	98.2	Very high	97.5	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.6	171.2	69	-82.8	15.6	0	0	113.3	F87 L92 Q159 G184 E185	F87-Q187 HydrophobicContact CB-CB 3.91Å; F87-Q187 HydrophobicContact CB-CG 3.92Å; L92-Q187 HydrophobicContact CB-CB 4.24Å; L92-Q187 HydrophobicContact CD2-CB 3.85Å; L92-Q187 HydrophobicContact CD2-CG 3.7Å; Q159-Q187 PolarHBondContact NE2-O 3.18Å; G184-Q187 PolarHBondContact O-OE1 3.07Å; E185-Q187 VanDerWaalsContact CA-OE1 3.28Å; E185-Q187 PolarHBondContact O-N 3.09Å; E185-Q187 VanDerWaalsContact O-N 3.07Å
188	F	98.8	Very high	97.4	Very high	9 Å²	9	52 Å²	52	4%	0.039	27%	0.271	C	S	.	.	S	Bend	trans	-111.1	159.3	-177	-61.5	-61.1	0	0	0	113.1	Y83 L92 Q159 N161 L181 E185 E186	Y83-F188 HydrophobicContact CE2-CZ 4.43Å; L92-F188 HydrophobicContact CD2-CD1 3.81Å; L92-F188 HydrophobicContact CD2-CE1 3.32Å; L92-F188 HydrophobicContact CD2-CZ 3.79Å; Q159-F188 CarbonylContact O-C 3.41Å; Q159-F188 WeakPolarHBondContact O-CA 3.42Å; N161-F188 HydrophobicContact CB-CD1 4.05Å; N161-F188 HydrophobicContact CB-CD2 3.77Å; N161-F188 HydrophobicContact CB-CE1 3.98Å; N161-F188 HydrophobicContact CB-CE2 3.74Å; N161-F188 HydrophobicContact CB-CG 3.94Å; N161-F188 HydrophobicContact CB-CZ 3.85Å; L181-F188 HydrophobicContact CD1-CB 3.94Å; L181-F188 HydrophobicContact CD2-CB 4.04Å; E185-F188 HydrophobicContact CB-CD2 4.29Å; E185-F188 PolarHBondContact O-N 2.99Å; E186-F188 PolarHBondContact O-N 2.94Å
189	N	98.8	Very high	97.4	Very high	33 Å²	33	52.5 Å²	52.5	18%	0.176	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-103.2	150.4	171.4	-66.7	105.6	0	0	0	109.4	R89 Y158 Q159 Y160	R89-N189 PolarHBondContact NH1-ND2 2.92Å; R89-N189 PolarHBondContact NH1-OD1 3.35Å; Y158-N189 WeakPolarHBondContact CA-OD1 3.44Å; Y158-N189 HydrophobicContact CD1-CB 4.31Å; Q159-N189 PolarHBondContact N-OD1 3.43Å; Q159-N189 PolarHBondContact O-N 2.91Å; Q159-N189 PolarHBondContact O-OD1 2.85Å; Y160-N189 HydrophobicContact CD1-CB 4.17Å; Y160-N189 VanDerWaalsContact CD1-O 3.25Å; Y160-N189 WeakPolarHBondContact CD1-O 3.34Å; Y160-N189 HydrophobicContact CE1-CB 3.79Å
190	V	98.5	Very high	97.4	Very high	76 Å²	76	57 Å²	57	46%	0.461	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-82.4	134.1	168.4	-178.6	0	0	0	0	108.5	Q179 L181	Q179-V190 WeakPolarHBondContact O-CG1 3.39Å; L181-V190 HydrophobicContact CD1-CG2 3.79Å; L181-V190 HydrophobicContact CG-CG2 4.06Å
191	P	97.9	Very high	97.4	Very high	9 Å²	9	56.7 Å²	56.7	6%	0.058	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-57	149.8	171.6	-24.1	34.9	0	0	0	111.8	Y160 H177 K178 E193	Y160-P191 HydrophobicContact CD1-CG 4.34Å; Y160-P191 HydrophobicContact CE1-CG 4.3Å; H177-P191 HydrophobicContact CB-CG 3.51Å; K178-P191 VanDerWaalsContact O-CD 3.32Å; K178-P191 WeakPolarHBondContact O-CD 3.45Å; P191-E193 VanDerWaalsContact C-N 3.3Å; P191-E193 PolarHBondContact O-N 2.92Å
192	K	94.7	Very high	97.4	Very high	146 Å²	146	57.5 Å²	57.5	64%	0.635	31%	0.306	S	S	*	.	S	Bend	trans	-62	-40.5	-177.3	179.9	-179.4	171.5	-176.9	0	112.3
193	E	95.9	Very high	97.4	Very high	130 Å²	130	55.4 Å²	55.4	61%	0.607	30%	0.297	S	S	*	.	S	Bend	trans	-131.7	147.9	175.8	-58.8	-63.6	161.1	0	0	107.7	P191 E195	P191-E193 VanDerWaalsContact C-N 3.3Å; P191-E193 PolarHBondContact O-N 2.92Å; E193-E195 PolarHBondContact O-N 3.16Å
194	P	97.3	Very high	97.6	Very high	47 Å²	47	49.7 Å²	49.7	31%	0.305	27%	0.27	S	S	.	.			trans	-56.4	126.7	174.5	-23.9	33.6	0	0	0	112.1	Q179 D218	Q179-P194 HydrophobicContact CG-CB 4.16Å; Q179-P194 HydrophobicContact CG-CG 4.21Å; P194-D218 HydrophobicContact CB-CB 3.81Å; P194-D218 HydrophobicContact CG-CB 3.91Å
195	E	98.4	Very high	97.8	Very high	46 Å²	46	48.7 Å²	48.7	22%	0.215	26%	0.257	C	S	.	.			trans	-84.2	119.3	176.8	-63.1	-177.3	174.1	0	0	109.9	Y176 H177 E193 V197	Y176-E195 HydrophobicContact CD2-CB 4.05Å; Y176-E195 HydrophobicContact CE2-CB 4.26Å; Y176-E195 WeakPolarHBondContact CE2-O 3.47Å; H177-E195 IonicContact CE1-OE1 3.83Å; H177-E195 IonicContact CG-OE1 3.35Å; H177-E195 IonicContact CG-OE2 2.75Å; H177-E195 PolarHBondContact N-OE2 3.01Å; H177-E195 IonicContact ND1-OE1 2.9Å; H177-E195 PolarHBondContact ND1-OE1 3.36Å; H177-E195 IonicContact ND1-OE2 3.72Å; H177-E195 PolarHBondContact ND1-OE2 3.33Å; E193-E195 PolarHBondContact O-N 3.16Å; E195-V197 HydrophobicContact CB-CG2 4Å
196	I	98.7	Very high	97.9	Very high	51 Å²	51	47.8 Å²	47.8	26%	0.262	25%	0.253	S	S	.	.			trans	-97.4	95.8	174.8	-46.2	-56.7	0	0	0	109.2	P219 T222 L223 F227	I196-P219 HydrophobicContact CD1-CB 3.61Å; I196-T222 HydrophobicContact CD1-CG2 3.77Å; I196-T222 HydrophobicContact CG1-CG2 4.08Å; I196-T222 HydrophobicContact CG2-CG2 4.35Å; I196-L223 HydrophobicContact CG2-CD2 3.65Å; I196-L223 HydrophobicContact CG2-CG 4.12Å; I196-F227 HydrophobicContact CB-CE2 4.15Å; I196-F227 HydrophobicContact CB-CZ 4.14Å; I196-F227 HydrophobicContact CG1-CE2 4.45Å; I196-F227 HydrophobicContact CG2-CD1 4.33Å; I196-F227 HydrophobicContact CG2-CD2 3.6Å; I196-F227 HydrophobicContact CG2-CE1 4.13Å; I196-F227 HydrophobicContact CG2-CE2 3.4Å; I196-F227 VanDerWaalsContact CG2-CE2 3.4Å; I196-F227 HydrophobicContact CG2-CG 4.08Å; I196-F227 HydrophobicContact CG2-CZ 3.68Å
197	V	98.8	Very high	98	Very high	21 Å²	21	41.3 Å²	41.3	13%	0.127	22%	0.222	C	C	.	.			trans	-105.5	122.4	-169.7	-178.7	0	0	0	0	110.9	A174 R175 Y176 E195 I208 L223	A174-V197 HydrophobicContact CB-CG1 3.77Å; R175-V197 WeakPolarHBondContact O-CG2 3.35Å; Y176-V197 HydrophobicContact CD2-CB 4.4Å; Y176-V197 HydrophobicContact CD2-CG2 3.91Å; Y176-V197 HydrophobicContact CG-CG2 4.42Å; E195-V197 HydrophobicContact CB-CG2 4Å; V197-I208 HydrophobicContact CB-CG2 3.9Å; V197-I208 HydrophobicContact CG1-CG2 3.77Å; V197-I208 PolarHBondContact O-N 2.84Å; V197-L223 WeakPolarHBondContact O-CD2 3.15Å
198	T	98.8	Very high	98.1	Very high	50 Å²	50	41.3 Å²	41.3	31%	0.307	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.3	176.9	60.3	0	0	0	0	111.3	F206 L223 F227 V229	T198-F206 CarbonylContact C-O 3.54Å; T198-F206 WeakPolarHBondContact CA-O 3.41Å; T198-F206 WeakPolarHBondContact CB-O 3.29Å; T198-L223 HydrophobicContact CG2-CD2 3.5Å; T198-F227 HydrophobicContact CG2-CB 4.21Å; T198-F227 HydrophobicContact CG2-CD1 4.12Å; T198-F227 HydrophobicContact CG2-CG 4.4Å; T198-V229 HydrophobicContact CG2-CG1 3.67Å
199	F	98.6	Very high	98.1	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.066	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	151	166.9	66.6	-83.8	0	0	0	110.6	I74 Y134 V165 V173 A174 T201 F206 L233	I74-F199 HydrophobicContact CD1-CZ 4.4Å; Y134-F199 AromaticContact CD1-CE2 3.98Å; Y134-F199 HydrophobicContact CD1-CE2 3.98Å; Y134-F199 HydrophobicContact CE1-CD2 4.37Å; Y134-F199 AromaticContact CE1-CE2 3.98Å; Y134-F199 HydrophobicContact CE1-CE2 3.98Å; V165-F199 HydrophobicContact CB-CE1 4.23Å; V165-F199 HydrophobicContact CB-CZ 4.46Å; V165-F199 HydrophobicContact CG1-CE1 3.96Å; V165-F199 HydrophobicContact CG1-CE2 4.21Å; V165-F199 HydrophobicContact CG1-CZ 3.69Å; V165-F199 HydrophobicContact CG2-CE1 3.87Å; V165-F199 HydrophobicContact CG2-CZ 4.36Å; V173-F199 HydrophobicContact CG2-CD2 4.19Å; V173-F199 HydrophobicContact CG2-CG 4.29Å; A174-F199 HydrophobicContact CB-CD1 3.87Å; A174-F199 HydrophobicContact CB-CE1 4.43Å; F199-T201 HydrophobicContact CD2-CG2 3.9Å; F199-T201 HydrophobicContact CE2-CG2 3.66Å; F199-F206 HydrophobicContact CD1-CB 4.1Å; F199-F206 HydrophobicContact CD2-CB 4.42Å; F199-F206 HydrophobicContact CE1-CB 3.63Å; F199-F206 HydrophobicContact CE1-CG 4.44Å; F199-F206 HydrophobicContact CE2-CB 3.99Å; F199-F206 HydrophobicContact CE2-CD2 4.18Å; F199-F206 HydrophobicContact CE2-CG 4.12Å; F199-F206 HydrophobicContact CG-CB 4.47Å; F199-F206 HydrophobicContact CZ-CB 3.57Å; F199-F206 HydrophobicContact CZ-CD1 4.42Å; F199-F206 HydrophobicContact CZ-CD2 4.41Å; F199-F206 AromaticContact CZ-CG 3.89Å; F199-F206 HydrophobicContact CZ-CG 3.89Å; F199-F206 PolarHBondContact N-O 3.24Å; F199-F206 PolarHBondContact O-N 2.93Å; F199-L233 HydrophobicContact CE1-CD1 3.56Å; F199-L233 HydrophobicContact CZ-CD1 3.57Å
200	N	98.1	Very high	98.1	Very high	122 Å²	122	39.3 Å²	39.3	65%	0.652	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	146.3	-178.4	-68.5	-12.7	0	0	0	111.2	S205	N200-S205 PolarHBondContact OD1-OG 2.95Å
201	T	98.1	Very high	98.1	Very high	26 Å²	26	36.2 Å²	36.2	16%	0.16	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	-179.2	172.2	78.3	0	0	0	0	110.5	Y134 F199 F203 G204 F206	Y134-T201 HydrophobicContact CD1-CG2 4.43Å; Y134-T201 HydrophobicContact CE1-CG2 3.75Å; Y134-T201 HydrophobicContact CE2-CG2 4.42Å; F199-T201 HydrophobicContact CD2-CG2 3.9Å; F199-T201 HydrophobicContact CE2-CG2 3.66Å; T201-F203 HydrophobicContact CG2-CE1 4.46Å; T201-F203 HydrophobicContact CG2-CE2 3.98Å; T201-F203 HydrophobicContact CG2-CZ 3.9Å; T201-F203 PolarHBondContact O-N 2.85Å; T201-F203 WeakPolarHBondContact OG1-CD2 3.32Å; T201-F203 VanDerWaalsContact OG1-CE2 3.28Å; T201-F203 WeakPolarHBondContact OG1-CE2 3.39Å; T201-F203 VanDerWaalsContact OG1-CG 3.24Å; T201-F203 WeakPolarHBondContact OG1-CG 3.37Å; T201-F203 PolarHBondContact OG1-N 2.96Å; T201-G204 PolarHBondContact N-O 2.87Å; T201-G204 PolarHBondContact OG1-N 3.24Å; T201-G204 PolarHBondContact OG1-O 2.96Å; T201-F206 HydrophobicContact CG2-CD2 3.87Å; T201-F206 HydrophobicContact CG2-CE2 3.9Å
202	S	97.4	Very high	98.1	Very high	55 Å²	55	36.5 Å²	36.5	39%	0.385	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.4	170.4	58.6	0	0	0	0	113.8	Q22	Q22-S202 PolarHBondContact N-O 3Å
203	F	97.8	Very high	98.3	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.026	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	26.2	-173	51.6	-99.4	0	0	0	112.6	Q22 F25 H73 Y134 T201 F206 S306	Q22-F203 HydrophobicContact CB-CB 4.25Å; F25-F203 HydrophobicContact CB-CB 3.78Å; F25-F203 HydrophobicContact CB-CD2 3.94Å; F25-F203 HydrophobicContact CB-CG 3.88Å; F25-F203 HydrophobicContact CD1-CB 4.23Å; F25-F203 HydrophobicContact CD1-CD2 4.13Å; F25-F203 AromaticContact CD2-CD2 3.86Å; F25-F203 HydrophobicContact CD2-CD2 3.86Å; F25-F203 HydrophobicContact CD2-CE2 4.21Å; F25-F203 HydrophobicContact CE2-CD2 4.4Å; F25-F203 HydrophobicContact CG-CB 4.15Å; F25-F203 AromaticContact CG-CD2 3.71Å; F25-F203 HydrophobicContact CG-CD2 3.71Å; F25-F203 HydrophobicContact CG-CE2 4.48Å; F25-F203 HydrophobicContact CG-CG 4.14Å; H73-F203 HydrophobicContact CB-CD1 4.42Å; H73-F203 HydrophobicContact CB-CE1 4.01Å; H73-F203 HydrophobicContact CB-CE2 4.37Å; H73-F203 HydrophobicContact CB-CZ 3.99Å; Y134-F203 HydrophobicContact CD2-CE1 4.25Å; Y134-F203 AromaticContact CD2-CZ 3.76Å; Y134-F203 HydrophobicContact CD2-CZ 3.76Å; Y134-F203 AromaticContact CE2-CE1 3.95Å; Y134-F203 HydrophobicContact CE2-CE1 3.95Å; Y134-F203 AromaticContact CE2-CZ 3.79Å; Y134-F203 HydrophobicContact CE2-CZ 3.79Å; Y134-F203 HydrophobicContact CG-CZ 4.4Å; T201-F203 HydrophobicContact CG2-CE1 4.46Å; T201-F203 HydrophobicContact CG2-CE2 3.98Å; T201-F203 HydrophobicContact CG2-CZ 3.9Å; T201-F203 PolarHBondContact O-N 2.85Å; T201-F203 WeakPolarHBondContact OG1-CD2 3.32Å; T201-F203 VanDerWaalsContact OG1-CE2 3.28Å; T201-F203 WeakPolarHBondContact OG1-CE2 3.39Å; T201-F203 VanDerWaalsContact OG1-CG 3.24Å; T201-F203 WeakPolarHBondContact OG1-CG 3.37Å; T201-F203 PolarHBondContact OG1-N 2.96Å; F203-F206 AromaticContact CD2-CE2 3.69Å; F203-F206 HydrophobicContact CD2-CE2 3.69Å; F203-F206 AromaticContact CD2-CZ 3.66Å; F203-F206 HydrophobicContact CD2-CZ 3.66Å; F203-F206 AromaticContact CE2-CE2 3.64Å; F203-F206 HydrophobicContact CE2-CE2 3.64Å; F203-F206 AromaticContact CE2-CZ 3.55Å; F203-F206 HydrophobicContact CE2-CZ 3.55Å; F203-S306 VanDerWaalsContact C-CB 3.42Å; F203-S306 VanDerWaalsContact CA-OG 3.28Å; F203-S306 WeakPolarHBondContact CA-OG 3.41Å; F203-S306 VanDerWaalsContact CB-OG 3.31Å; F203-S306 WeakPolarHBondContact CB-OG 3.35Å; F203-S306 VanDerWaalsContact O-CA 3.3Å; F203-S306 WeakPolarHBondContact O-CA 3.36Å; F203-S306 WeakPolarHBondContact O-CB 3.32Å; F203-S306 PolarHBondContact O-OG 3.06Å
204	G	97.7	Very high	98.5	Very high	4 Å²	4	23.3 Å²	23.3	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.5	167	172.9	0	0	0	0	0	114.4	T201 F206 D230	T201-G204 PolarHBondContact N-O 2.87Å; T201-G204 PolarHBondContact OG1-N 3.24Å; T201-G204 PolarHBondContact OG1-O 2.96Å; G204-F206 WeakPolarHBondContact O-CD2 3.48Å; G204-D230 WeakPolarHBondContact CA-OD2 3.08Å
205	S	98.4	Very high	98.6	Very high	20 Å²	20	21.2 Å²	21.2	14%	0.14	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.2	165.3	179.2	0	0	0	0	109.9	N200 D230 T231	N200-S205 PolarHBondContact OD1-OG 2.95Å; S205-D230 PolarHBondContact N-OD2 2.56Å; S205-D230 PolarHBondContact O-N 3.04Å; S205-T231 PolarHBondContact O-N 2.92Å; S205-T231 VanDerWaalsContact O-N 3.15Å
206	F	98.9	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.5	-176.1	-71.5	-100.6	0	0	0	110.9	F25 I74 T198 F199 T201 F203 G204 T231 L233	F25-F206 HydrophobicContact CE1-CZ 4.48Å; F25-F206 HydrophobicContact CE2-CE1 4.37Å; F25-F206 HydrophobicContact CE2-CZ 4.05Å; F25-F206 HydrophobicContact CZ-CE1 4.26Å; F25-F206 AromaticContact CZ-CZ 3.92Å; F25-F206 HydrophobicContact CZ-CZ 3.92Å; I74-F206 HydrophobicContact CD1-CD1 4.37Å; I74-F206 HydrophobicContact CD1-CE1 4.14Å; T198-F206 CarbonylContact C-O 3.54Å; T198-F206 WeakPolarHBondContact CA-O 3.41Å; T198-F206 WeakPolarHBondContact CB-O 3.29Å; F199-F206 HydrophobicContact CD1-CB 4.1Å; F199-F206 HydrophobicContact CD2-CB 4.42Å; F199-F206 HydrophobicContact CE1-CB 3.63Å; F199-F206 HydrophobicContact CE1-CG 4.44Å; F199-F206 HydrophobicContact CE2-CB 3.99Å; F199-F206 HydrophobicContact CE2-CD2 4.18Å; F199-F206 HydrophobicContact CE2-CG 4.12Å; F199-F206 HydrophobicContact CG-CB 4.47Å; F199-F206 HydrophobicContact CZ-CB 3.57Å; F199-F206 HydrophobicContact CZ-CD1 4.42Å; F199-F206 HydrophobicContact CZ-CD2 4.41Å; F199-F206 AromaticContact CZ-CG 3.89Å; F199-F206 HydrophobicContact CZ-CG 3.89Å; F199-F206 PolarHBondContact N-O 3.24Å; F199-F206 PolarHBondContact O-N 2.93Å; T201-F206 HydrophobicContact CG2-CD2 3.87Å; T201-F206 HydrophobicContact CG2-CE2 3.9Å; F203-F206 AromaticContact CD2-CE2 3.69Å; F203-F206 HydrophobicContact CD2-CE2 3.69Å; F203-F206 AromaticContact CD2-CZ 3.66Å; F203-F206 HydrophobicContact CD2-CZ 3.66Å; F203-F206 AromaticContact CE2-CE2 3.64Å; F203-F206 HydrophobicContact CE2-CE2 3.64Å; F203-F206 AromaticContact CE2-CZ 3.55Å; F203-F206 HydrophobicContact CE2-CZ 3.55Å; G204-F206 WeakPolarHBondContact O-CD2 3.48Å; F206-T231 VanDerWaalsContact CA-O 3.31Å; F206-T231 WeakPolarHBondContact CA-O 3.07Å; F206-T231 HydrophobicContact CD1-CG2 3.77Å; F206-T231 HydrophobicContact CE1-CG2 3.47Å; F206-T231 VanDerWaalsContact CE1-CG2 3.47Å; F206-T231 HydrophobicContact CZ-CG2 4.35Å; F206-L233 HydrophobicContact CB-CD1 4.34Å; F206-L233 HydrophobicContact CD1-CD1 4.08Å; F206-L233 HydrophobicContact CD1-CD2 3.69Å; F206-L233 HydrophobicContact CD1-CG 3.85Å; F206-L233 HydrophobicContact CE1-CD2 4.02Å
207	G	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	159.6	163	0	0	0	0	0	110.7	T231 I232 L233	G207-T231 PolarHBondContact N-O 2.91Å; G207-I232 WeakPolarHBondContact O-CA 3.34Å; G207-L233 PolarHBondContact O-N 3.3Å
208	I	98.9	Very high	98.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	138.8	179.4	-171.2	160.3	0	0	0	110.8	V136 D163 V165 Y176 V197 L233	V136-I208 HydrophobicContact CG1-CD1 3.67Å; D163-I208 HydrophobicContact CB-CD1 3.54Å; D163-I208 HydrophobicContact CB-CG1 4.06Å; V165-I208 HydrophobicContact CG2-CD1 3.86Å; Y176-I208 HydrophobicContact CG-CG2 4.44Å; V197-I208 HydrophobicContact CB-CG2 3.9Å; V197-I208 HydrophobicContact CG1-CG2 3.77Å; V197-I208 PolarHBondContact O-N 2.84Å; I208-L233 HydrophobicContact CB-CB 4.31Å; I208-L233 HydrophobicContact CD1-CB 4.14Å; I208-L233 HydrophobicContact CD1-CD1 4.38Å; I208-L233 HydrophobicContact CG1-CB 4.09Å
209	F	98.9	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.111	C	C	.	.			trans	-158.6	169	169	58.9	-101.1	0	0	0	109.8	Y176 D213 I214 P219 A220 L223 I232 L233 F234 W254 F262	Y176-F209 HydrophobicContact CE1-CB 4.2Å; F209-D213 HydrophobicContact CB-CB 3.95Å; F209-D213 HydrophobicContact CD2-CB 3.79Å; F209-D213 HydrophobicContact CG-CB 4.21Å; F209-I214 HydrophobicContact CE2-CB 3.83Å; F209-I214 HydrophobicContact CE2-CG1 4.01Å; F209-I214 HydrophobicContact CZ-CG1 4.33Å; F209-P219 HydrophobicContact CB-CG 3.78Å; F209-A220 HydrophobicContact CD1-CB 3.94Å; F209-A220 HydrophobicContact CD2-CB 4.34Å; F209-A220 HydrophobicContact CE1-CB 3.63Å; F209-A220 HydrophobicContact CE2-CB 4.1Å; F209-A220 HydrophobicContact CG-CB 4.25Å; F209-A220 HydrophobicContact CZ-CB 3.71Å; F209-L223 HydrophobicContact CD1-CD1 3.7Å; F209-L223 HydrophobicContact CE1-CD1 4.43Å; F209-I232 HydrophobicContact CD1-CD1 4.21Å; F209-I232 HydrophobicContact CD1-CG2 3.94Å; F209-I232 HydrophobicContact CE1-CB 4.34Å; F209-I232 HydrophobicContact CE1-CD1 3.77Å; F209-I232 HydrophobicContact CE1-CG1 3.97Å; F209-I232 HydrophobicContact CE1-CG2 3.43Å; F209-I232 VanDerWaalsContact CE1-CG2 3.43Å; F209-I232 HydrophobicContact CE2-CG2 4.39Å; F209-I232 HydrophobicContact CZ-CG2 3.71Å; F209-L233 PolarHBondContact N-O 2.93Å; F209-F234 AromaticContact CD2-CD2 3.52Å; F209-F234 HydrophobicContact CD2-CD2 3.52Å; F209-F234 AromaticContact CD2-CE2 3.61Å; F209-F234 HydrophobicContact CD2-CE2 3.61Å; F209-F234 AromaticContact CE2-CD2 3.41Å; F209-F234 HydrophobicContact CE2-CD2 3.41Å; F209-F234 VanDerWaalsContact CE2-CD2 3.41Å; F209-F234 AromaticContact CE2-CE2 3.45Å; F209-F234 HydrophobicContact CE2-CE2 3.45Å; F209-F234 VanDerWaalsContact CE2-CE2 3.45Å; F209-F234 HydrophobicContact CZ-CD2 4.39Å; F209-F234 WeakPolarHBondContact O-CD2 3.48Å; F209-W254 AromaticContact CE1-CH2 3.83Å; F209-W254 HydrophobicContact CE1-CH2 3.83Å; F209-W254 HydrophobicContact CE1-CZ2 4.24Å; F209-W254 HydrophobicContact CE1-CZ3 4.4Å; F209-W254 AromaticContact CZ-CH2 3.72Å; F209-W254 HydrophobicContact CZ-CH2 3.72Å; F209-W254 AromaticContact CZ-CZ2 3.9Å; F209-W254 HydrophobicContact CZ-CZ2 3.9Å; F209-W254 HydrophobicContact CZ-CZ3 4.07Å; F209-F262 HydrophobicContact CE2-CE2 4.25Å; F209-F262 HydrophobicContact CE2-CZ 4.36Å; F209-F262 AromaticContact CZ-CE2 3.79Å; F209-F262 HydrophobicContact CZ-CE2 3.79Å; F209-F262 HydrophobicContact CZ-CZ 4.35Å
210	T	98.9	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.108	C	C	.	.			trans	-123.5	125.1	-164.8	-37	0	0	0	0	111.7	E79 D163 Y176 K178 F212 D213 P235	E79-T210 HydrophobicContact CB-CG2 4Å; E79-T210 HydrophobicContact CG-CG2 3.87Å; E79-T210 WeakPolarHBondContact OE1-CG2 3.38Å; D163-T210 PolarHBondContact OD2-OG1 2.89Å; Y176-T210 WeakPolarHBondContact CE1-OG1 3.43Å; K178-T210 HydrophobicContact CD-CG2 4.22Å; T210-F212 PolarHBondContact O-N 3.48Å; T210-D213 PolarHBondContact N-OD2 2.85Å; T210-D213 WeakPolarHBondContact O-CB 3.11Å; T210-D213 VanDerWaalsContact O-CG 3.29Å; T210-D213 PolarHBondContact O-N 3.42Å; T210-D213 VanDerWaalsContact O-N 3.09Å; T210-P235 WeakPolarHBondContact CG2-O 3.12Å
211	C	98.9	Very high	98.6	Very high	11 Å²	11	13.6 Å²	13.6	7%	0.074	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	46.9	-112.2	165.9	-169.2	0	0	0	0	114.1	E79 D213 I214 F234 P235 T236	E79-C211 WeakPolarHBondContact OE2-CB 3.21Å; E79-C211 PolarHBondContact OE2-SG 2.75Å; C211-D213 PolarHBondContact O-N 3.26Å; C211-I214 VanDerWaalsContact O-CG2 3.28Å; C211-I214 WeakPolarHBondContact O-CG2 3.14Å; C211-I214 PolarHBondContact O-N 3.34Å; C211-I214 VanDerWaalsContact O-N 3.11Å; C211-F234 VanDerWaalsContact CA-CZ 3.42Å; C211-F234 VanDerWaalsContact O-CE2 3.22Å; C211-F234 WeakPolarHBondContact O-CE2 3.22Å; C211-F234 WeakPolarHBondContact O-CZ 3.13Å; C211-P235 PolarHBondContact N-O 3.39Å; C211-P235 VanDerWaalsContact N-O 3.13Å; C211-T236 WeakPolarHBondContact CA-OG1 3.31Å; C211-T236 WeakPolarHBondContact CB-OG1 3.44Å; C211-T236 PolarHBondContact SG-OG1 3.22Å
212	F	98.8	Very high	98.6	Very high	15 Å²	15	13 Å²	13	7%	0.066	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-57.9	-20.9	-174.2	-160	-134.2	0	0	0	114.2	N180 F182 T210 I214 L215 F216 E390 Y393	N180-F212 HydrophobicContact CB-CD1 4.43Å; F182-F212 HydrophobicContact CB-CD1 4.4Å; F182-F212 HydrophobicContact CD2-CD1 4.2Å; F182-F212 HydrophobicContact CD2-CD2 4.05Å; F182-F212 HydrophobicContact CD2-CE1 4.14Å; F182-F212 AromaticContact CD2-CE2 4Å; F182-F212 HydrophobicContact CD2-CE2 4Å; F182-F212 HydrophobicContact CD2-CG 4.17Å; F182-F212 HydrophobicContact CD2-CZ 4.05Å; F182-F212 HydrophobicContact CE2-CE2 4.31Å; F182-F212 HydrophobicContact CE2-CZ 4.44Å; T210-F212 PolarHBondContact O-N 3.48Å; F212-I214 PolarHBondContact O-N 3.49Å; F212-I214 VanDerWaalsContact O-N 3.08Å; F212-L215 HydrophobicContact CD2-CD1 3.78Å; F212-L215 HydrophobicContact CE2-CD1 3.52Å; F212-L215 PolarHBondContact O-N 3.43Å; F212-L215 VanDerWaalsContact O-N 3.15Å; F212-F216 AromaticContact CD1-CE2 3.51Å; F212-F216 HydrophobicContact CD1-CE2 3.51Å; F212-F216 HydrophobicContact CD1-CZ 4.06Å; F212-F216 HydrophobicContact CD2-CE2 4.34Å; F212-F216 AromaticContact CE1-CE2 3.5Å; F212-F216 HydrophobicContact CE1-CE2 3.5Å; F212-F216 VanDerWaalsContact CE1-CE2 3.5Å; F212-F216 AromaticContact CE1-CZ 3.56Å; F212-F216 HydrophobicContact CE1-CZ 3.56Å; F212-F216 HydrophobicContact CE2-CE2 4.33Å; F212-F216 AromaticContact CG-CE2 3.94Å; F212-F216 HydrophobicContact CG-CE2 3.94Å; F212-F216 AromaticContact CZ-CE2 3.93Å; F212-F216 HydrophobicContact CZ-CE2 3.93Å; F212-F216 AromaticContact CZ-CZ 3.89Å; F212-F216 HydrophobicContact CZ-CZ 3.89Å; F212-F216 WeakPolarHBondContact O-CD2 3.38Å; F212-F216 WeakPolarHBondContact O-CE2 3.28Å; F212-E390 WeakPolarHBondContact CZ-O 3.28Å; F212-Y393 HydrophobicContact CE2-CE1 4.38Å; F212-Y393 HydrophobicContact CZ-CE1 4.08Å
213	D	98.9	Very high	98.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-51.7	-30.8	173.1	-71.9	-32.9	0	0	0	113.4	Y176 N180 F209 T210 C211 L215 F216	Y176-D213 WeakPolarHBondContact CE1-OD2 3.37Å; Y176-D213 PolarHBondContact OH-OD1 3.25Å; Y176-D213 PolarHBondContact OH-OD2 2.03Å; N180-D213 VanDerWaalsContact CB-OD1 3.28Å; N180-D213 WeakPolarHBondContact CB-OD1 3.24Å; N180-D213 PolarHBondContact N-OD1 3.06Å; N180-D213 PolarHBondContact ND2-OD1 2.8Å; F209-D213 HydrophobicContact CB-CB 3.95Å; F209-D213 HydrophobicContact CD2-CB 3.79Å; F209-D213 HydrophobicContact CG-CB 4.21Å; T210-D213 PolarHBondContact N-OD2 2.85Å; T210-D213 WeakPolarHBondContact O-CB 3.11Å; T210-D213 VanDerWaalsContact O-CG 3.29Å; T210-D213 PolarHBondContact O-N 3.42Å; T210-D213 VanDerWaalsContact O-N 3.09Å; C211-D213 PolarHBondContact O-N 3.26Å; D213-L215 PolarHBondContact O-N 3.43Å; D213-L215 VanDerWaalsContact O-N 3.09Å; D213-F216 PolarHBondContact O-N 3.23Å
214	I	98.9	Very high	98.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-58.5	-25.4	-178.5	-160	174.4	0	0	0	113.5	F209 C211 F212 F234 W238 F250 W254 F262	F209-I214 HydrophobicContact CE2-CB 3.83Å; F209-I214 HydrophobicContact CE2-CG1 4.01Å; F209-I214 HydrophobicContact CZ-CG1 4.33Å; C211-I214 VanDerWaalsContact O-CG2 3.28Å; C211-I214 WeakPolarHBondContact O-CG2 3.14Å; C211-I214 PolarHBondContact O-N 3.34Å; C211-I214 VanDerWaalsContact O-N 3.11Å; F212-I214 PolarHBondContact O-N 3.49Å; F212-I214 VanDerWaalsContact O-N 3.08Å; I214-F234 HydrophobicContact CB-CE2 3.95Å; I214-F234 HydrophobicContact CB-CZ 4.02Å; I214-F234 HydrophobicContact CD1-CE2 4.48Å; I214-F234 HydrophobicContact CD1-CZ 4.2Å; I214-F234 HydrophobicContact CG2-CZ 4.13Å; I214-W238 HydrophobicContact CG2-CH2 4.04Å; I214-W238 HydrophobicContact CG2-CZ3 3.77Å; I214-F250 HydrophobicContact CD1-CD1 4.13Å; I214-F250 HydrophobicContact CD1-CE1 4.1Å; I214-F250 HydrophobicContact CG1-CE1 4.05Å; I214-F250 HydrophobicContact CG2-CD1 4.18Å; I214-F250 HydrophobicContact CG2-CE1 3.86Å; I214-W254 HydrophobicContact CD1-CB 3.84Å; I214-W254 HydrophobicContact CD1-CD2 4.24Å; I214-W254 HydrophobicContact CD1-CG 3.81Å; I214-W254 HydrophobicContact CG1-CB 4.22Å; I214-W254 HydrophobicContact CG1-CD2 3.95Å; I214-W254 HydrophobicContact CG1-CG 3.67Å; I214-W254 PolarHBondContact O-NE1 3.06Å; I214-F262 HydrophobicContact CD1-CE2 4.17Å; I214-F262 HydrophobicContact CD1-CZ 3.72Å
215	L	98.7	Very high	98.6	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-85.1	-7	-179.5	-71	174.2	0	0	0	113.7	F212 D213 W238 L245 F250 Y393 R478	F212-L215 HydrophobicContact CD2-CD1 3.78Å; F212-L215 HydrophobicContact CE2-CD1 3.52Å; F212-L215 PolarHBondContact O-N 3.43Å; F212-L215 VanDerWaalsContact O-N 3.15Å; D213-L215 PolarHBondContact O-N 3.43Å; D213-L215 VanDerWaalsContact O-N 3.09Å; L215-W238 HydrophobicContact CD1-CH2 3.98Å; L215-W238 HydrophobicContact CG-CH2 4.25Å; L215-L245 HydrophobicContact CD2-CD2 4.22Å; L215-F250 HydrophobicContact CD2-CD1 4.46Å; L215-F250 HydrophobicContact CD2-CE1 3.61Å; L215-F250 HydrophobicContact CD2-CE2 4.23Å; L215-F250 HydrophobicContact CD2-CZ 3.48Å; L215-F250 VanDerWaalsContact CD2-CZ 3.48Å; L215-F250 HydrophobicContact CG-CE1 4.36Å; L215-Y393 HydrophobicContact CD1-CE1 4.29Å; L215-R478 VanDerWaalsContact O-CZ 3.31Å; L215-R478 PolarHBondContact O-NE 3.49Å; L215-R478 PolarHBondContact O-NH2 3.01Å
216	F	98.7	Very high	98.6	Very high	23 Å²	23	19.7 Å²	19.7	10%	0.101	10%	0.098	C	C	.	.	S	Bend	trans	-116.6	167	-172.9	-59.7	-84.4	0	0	0	112.4	N180 F212 D213 Y393 Y480	N180-F216 HydrophobicContact CB-CD2 3.52Å; N180-F216 HydrophobicContact CB-CE2 3.78Å; N180-F216 HydrophobicContact CB-CG 4.18Å; N180-F216 VanDerWaalsContact CG-CD2 3.41Å; N180-F216 WeakPolarHBondContact OD1-CG 3.31Å; F212-F216 AromaticContact CD1-CE2 3.51Å; F212-F216 HydrophobicContact CD1-CE2 3.51Å; F212-F216 HydrophobicContact CD1-CZ 4.06Å; F212-F216 HydrophobicContact CD2-CE2 4.34Å; F212-F216 AromaticContact CE1-CE2 3.5Å; F212-F216 HydrophobicContact CE1-CE2 3.5Å; F212-F216 VanDerWaalsContact CE1-CE2 3.5Å; F212-F216 AromaticContact CE1-CZ 3.56Å; F212-F216 HydrophobicContact CE1-CZ 3.56Å; F212-F216 HydrophobicContact CE2-CE2 4.33Å; F212-F216 AromaticContact CG-CE2 3.94Å; F212-F216 HydrophobicContact CG-CE2 3.94Å; F212-F216 AromaticContact CZ-CE2 3.93Å; F212-F216 HydrophobicContact CZ-CE2 3.93Å; F212-F216 AromaticContact CZ-CZ 3.89Å; F212-F216 HydrophobicContact CZ-CZ 3.89Å; F212-F216 WeakPolarHBondContact O-CD2 3.38Å; F212-F216 WeakPolarHBondContact O-CE2 3.28Å; D213-F216 PolarHBondContact O-N 3.23Å; F216-Y393 HydrophobicContact CE1-CD1 4.24Å; F216-Y393 HydrophobicContact CZ-CD1 4.09Å; F216-Y480 VanDerWaalsContact C-CE1 3.43Å
217	H	98.6	Very high	98.5	Very high	63 Å²	63	24.4 Å²	24.4	29%	0.292	12%	0.119	S	C	.	.	S	Bend	trans	-71	-51.5	179.3	-172.3	-80.4	0	0	0	111	P219 A220 V221 T222 Y480	H217-P219 CarbonylContact O-C 3.29Å; H217-A220 PolarHBondContact O-N 3.06Å; H217-V221 WeakPolarHBondContact O-CA 3.41Å; H217-V221 VanDerWaalsContact O-CB 3.3Å; H217-V221 WeakPolarHBondContact O-CB 3.1Å; H217-V221 PolarHBondContact O-N 3.46Å; H217-T222 PolarHBondContact CE1-OG1 2.81Å; H217-T222 VanDerWaalsContact CE1-OG1 3.32Å; H217-T222 PolarHBondContact ND1-OG1 2.84Å; H217-Y480 HydrophobicContact CB-CD1 3.91Å; H217-Y480 HydrophobicContact CB-CG 3.92Å; H217-Y480 AromaticContact CD2-CD2 3.97Å
218	D	98.2	Very high	98.4	Very high	59 Å²	59	30.6 Å²	30.6	32%	0.316	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	131.2	-174.4	-60.9	-46.4	0	0	0	111.2	N180 P194 T222	N180-D218 PolarHBondContact ND2-O 3.14Å; P194-D218 HydrophobicContact CB-CB 3.81Å; P194-D218 HydrophobicContact CG-CB 3.91Å; D218-T222 PolarHBondContact OD1-OG1 2.83Å
219	P	98.6	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.1	-9.4	0.4	37	-39.8	0	0	0	114.6	Y176 I196 F209 H217 V221 T222 L223	Y176-P219 HydrophobicContact CE2-CG 3.83Å; Y176-P219 WeakPolarHBondContact OH-CD 3.41Å; Y176-P219 WeakPolarHBondContact OH-CG 3.47Å; I196-P219 HydrophobicContact CD1-CB 3.61Å; F209-P219 HydrophobicContact CB-CG 3.78Å; H217-P219 CarbonylContact O-C 3.29Å; P219-V221 PolarHBondContact O-N 2.82Å; P219-T222 PolarHBondContact O-N 3.26Å; P219-L223 HydrophobicContact CB-CD1 4.09Å; P219-L223 HydrophobicContact CB-CG 4.39Å; P219-L223 HydrophobicContact CG-CD1 4.33Å; P219-L223 WeakPolarHBondContact O-CG 3.08Å; P219-L223 PolarHBondContact O-N 3.11Å
220	A	98.6	Very high	98.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-46.5	-160.9	0	0	0	0	0	114.9	F209 H217 W254	F209-A220 HydrophobicContact CD1-CB 3.94Å; F209-A220 HydrophobicContact CD2-CB 4.34Å; F209-A220 HydrophobicContact CE1-CB 3.63Å; F209-A220 HydrophobicContact CE2-CB 4.1Å; F209-A220 HydrophobicContact CG-CB 4.25Å; F209-A220 HydrophobicContact CZ-CB 3.71Å; H217-A220 PolarHBondContact O-N 3.06Å; A220-W254 HydrophobicContact CB-CZ2 3.9Å
221	V	98.6	Very high	98.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.4	-43.3	178.4	177	0	0	0	0	110.9	H217 P219 L223 V224 K225 M258 Y435 Y480	H217-V221 WeakPolarHBondContact O-CA 3.41Å; H217-V221 VanDerWaalsContact O-CB 3.3Å; H217-V221 WeakPolarHBondContact O-CB 3.1Å; H217-V221 PolarHBondContact O-N 3.46Å; P219-V221 PolarHBondContact O-N 2.82Å; V221-L223 VanDerWaalsContact C-N 3.31Å; V221-L223 PolarHBondContact O-N 3.08Å; V221-V224 PolarHBondContact O-N 3Å; V221-V224 VanDerWaalsContact O-N 3.09Å; V221-K225 HydrophobicContact CG1-CG 3.76Å; V221-K225 WeakPolarHBondContact O-CB 3.31Å; V221-K225 PolarHBondContact O-N 2.92Å; V221-M258 HydrophobicContact CB-CE 4.48Å; V221-M258 HydrophobicContact CG1-CE 4.3Å; V221-M258 HydrophobicContact CG2-CE 4.4Å; V221-Y435 HydrophobicContact CG1-CD1 4.35Å; V221-Y435 HydrophobicContact CG1-CE1 3.48Å; V221-Y435 VanDerWaalsContact CG1-CE1 3.48Å; V221-Y435 WeakPolarHBondContact CG1-OH 3.36Å; V221-Y435 HydrophobicContact CG2-CE1 4.49Å; V221-Y480 HydrophobicContact CG2-CD2 4.36Å; V221-Y480 HydrophobicContact CG2-CE1 4.35Å; V221-Y480 HydrophobicContact CG2-CE2 3.59Å; V221-Y480 WeakPolarHBondContact CG2-OH 3.32Å
222	T	98.6	Very high	98.4	Very high	13 Å²	13	30.8 Å²	30.8	8%	0.08	15%	0.148	C	C	.	.	H	α-helix	trans	-58.9	-41.2	-179.5	-63.4	0	0	0	0	111.7	I196 H217 D218 P219 V224 K225 D226 F227	I196-T222 HydrophobicContact CD1-CG2 3.77Å; I196-T222 HydrophobicContact CG1-CG2 4.08Å; I196-T222 HydrophobicContact CG2-CG2 4.35Å; H217-T222 PolarHBondContact CE1-OG1 2.81Å; H217-T222 VanDerWaalsContact CE1-OG1 3.32Å; H217-T222 PolarHBondContact ND1-OG1 2.84Å; D218-T222 PolarHBondContact OD1-OG1 2.83Å; P219-T222 PolarHBondContact O-N 3.26Å; T222-V224 VanDerWaalsContact C-N 3.27Å; T222-V224 PolarHBondContact O-N 3.24Å; T222-K225 PolarHBondContact O-N 3.13Å; T222-D226 HydrophobicContact CG2-CB 4.29Å; T222-D226 WeakPolarHBondContact O-CB 3.43Å; T222-D226 PolarHBondContact O-N 3.09Å; T222-F227 HydrophobicContact CG2-CD2 4.24Å; T222-F227 HydrophobicContact CG2-CE2 4.1Å; T222-F227 PolarHBondContact O-N 2.79Å
223	L	98.8	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-56.1	-39.3	175	-76.3	164.7	0	0	0	112.9	I196 V197 T198 F209 P219 V221 F227 H228 V229 I232	I196-L223 HydrophobicContact CG2-CD2 3.65Å; I196-L223 HydrophobicContact CG2-CG 4.12Å; V197-L223 WeakPolarHBondContact O-CD2 3.15Å; T198-L223 HydrophobicContact CG2-CD2 3.5Å; F209-L223 HydrophobicContact CD1-CD1 3.7Å; F209-L223 HydrophobicContact CE1-CD1 4.43Å; P219-L223 HydrophobicContact CB-CD1 4.09Å; P219-L223 HydrophobicContact CB-CG 4.39Å; P219-L223 HydrophobicContact CG-CD1 4.33Å; P219-L223 WeakPolarHBondContact O-CG 3.08Å; P219-L223 PolarHBondContact O-N 3.11Å; V221-L223 VanDerWaalsContact C-N 3.31Å; V221-L223 PolarHBondContact O-N 3.08Å; L223-F227 CarbonylContact O-C 3.57Å; L223-F227 WeakPolarHBondContact O-CB 3.34Å; L223-H228 PolarHBondContact O-N 3.13Å; L223-V229 HydrophobicContact CB-CG2 4.26Å; L223-V229 HydrophobicContact CD2-CG1 4.46Å; L223-V229 WeakPolarHBondContact O-CG2 3.46Å; L223-V229 PolarHBondContact O-N 2.85Å; L223-I232 HydrophobicContact CB-CD1 4.32Å; L223-I232 HydrophobicContact CD1-CD1 4.32Å
224	V	97.9	Very high	98.4	Very high	15 Å²	15	30 Å²	30	9%	0.091	15%	0.145	C	C	.	.	H	α-helix	trans	-84.3	-45.4	-178.7	-177.6	0	0	0	0	111.5	V221 T222 H228 V229 W254 M258 V260	V221-V224 PolarHBondContact O-N 3Å; V221-V224 VanDerWaalsContact O-N 3.09Å; T222-V224 VanDerWaalsContact C-N 3.27Å; T222-V224 PolarHBondContact O-N 3.24Å; V224-H228 WeakPolarHBondContact O-CA 3.17Å; V224-H228 PolarHBondContact O-N 3.22Å; V224-H228 PolarHBondContact O-ND1 2.55Å; V224-V229 HydrophobicContact CG2-CG2 4.36Å; V224-W254 HydrophobicContact CG2-CH2 3.81Å; V224-W254 HydrophobicContact CG2-CZ3 4.49Å; V224-M258 HydrophobicContact CB-CE 3.68Å; V224-M258 HydrophobicContact CG1-CB 4.41Å; V224-M258 HydrophobicContact CG1-CE 3.94Å; V224-M258 WeakPolarHBondContact CG1-O 3.43Å; V224-M258 HydrophobicContact CG2-CB 4.39Å; V224-M258 HydrophobicContact CG2-CE 3.92Å; V224-V260 HydrophobicContact CG1-CG1 3.87Å; V224-V260 HydrophobicContact CG2-CG1 3.94Å
225	K	96.8	Very high	98.4	Very high	98 Å²	98	30 Å²	30	43%	0.426	15%	0.145	S	C	.	.	H	α-helix	trans	-75.9	-40.4	-172.3	-72.4	-61.1	-166.7	-178.4	0	113.4	V221 T222 H228 Y435	V221-K225 HydrophobicContact CG1-CG 3.76Å; V221-K225 WeakPolarHBondContact O-CB 3.31Å; V221-K225 PolarHBondContact O-N 2.92Å; T222-K225 PolarHBondContact O-N 3.13Å; K225-H228 PolarHBondContact O-CE1 2.76Å; K225-H228 PolarHBondContact O-ND1 3.43Å; K225-Y435 VanDerWaalsContact CE-CE1 3.43Å; K225-Y435 HydrophobicContact CG-CE1 4.31Å
226	D	97.8	Very high	98.4	Very high	113 Å²	113	30 Å²	30	60%	0.604	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-31.5	-171.4	-62	-8.1	0	0	0	111.6	T222	T222-D226 HydrophobicContact CG2-CB 4.29Å; T222-D226 WeakPolarHBondContact O-CB 3.43Å; T222-D226 PolarHBondContact O-N 3.09Å
227	F	97.9	Very high	98.4	Very high	99 Å²	99	29.4 Å²	29.4	43%	0.434	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-8.4	-178.2	-70.6	-104.5	0	0	0	114	I196 T198 T222 L223 V229	I196-F227 HydrophobicContact CB-CE2 4.15Å; I196-F227 HydrophobicContact CB-CZ 4.14Å; I196-F227 HydrophobicContact CG1-CE2 4.45Å; I196-F227 HydrophobicContact CG2-CD1 4.33Å; I196-F227 HydrophobicContact CG2-CD2 3.6Å; I196-F227 HydrophobicContact CG2-CE1 4.13Å; I196-F227 HydrophobicContact CG2-CE2 3.4Å; I196-F227 VanDerWaalsContact CG2-CE2 3.4Å; I196-F227 HydrophobicContact CG2-CG 4.08Å; I196-F227 HydrophobicContact CG2-CZ 3.68Å; T198-F227 HydrophobicContact CG2-CB 4.21Å; T198-F227 HydrophobicContact CG2-CD1 4.12Å; T198-F227 HydrophobicContact CG2-CG 4.4Å; T222-F227 HydrophobicContact CG2-CD2 4.24Å; T222-F227 HydrophobicContact CG2-CE2 4.1Å; T222-F227 PolarHBondContact O-N 2.79Å; L223-F227 CarbonylContact O-C 3.57Å; L223-F227 WeakPolarHBondContact O-CB 3.34Å; F227-V229 HydrophobicContact CB-CG1 4.32Å; F227-V229 PolarHBondContact O-N 3.29Å
228	H	97.3	Very high	98.4	Very high	130 Å²	130	27.1 Å²	27.1	60%	0.602	13%	0.133	S	C	*	.			trans	50.3	42.7	174	-53.7	-49.2	0	0	0	113.6	L223 V224 K225	L223-H228 PolarHBondContact O-N 3.13Å; V224-H228 WeakPolarHBondContact O-CA 3.17Å; V224-H228 PolarHBondContact O-N 3.22Å; V224-H228 PolarHBondContact O-ND1 2.55Å; K225-H228 PolarHBondContact O-CE1 2.76Å; K225-H228 PolarHBondContact O-ND1 3.43Å
229	V	98.3	Very high	98.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.			trans	-64.2	140.7	176.9	-60	0	0	0	0	110.9	T198 L223 V224 F227 I232 V260	T198-V229 HydrophobicContact CG2-CG1 3.67Å; L223-V229 HydrophobicContact CB-CG2 4.26Å; L223-V229 HydrophobicContact CD2-CG1 4.46Å; L223-V229 WeakPolarHBondContact O-CG2 3.46Å; L223-V229 PolarHBondContact O-N 2.85Å; V224-V229 HydrophobicContact CG2-CG2 4.36Å; F227-V229 HydrophobicContact CB-CG1 4.32Å; F227-V229 PolarHBondContact O-N 3.29Å; V229-I232 HydrophobicContact CG2-CD1 3.58Å; V229-I232 HydrophobicContact CG2-CG1 4.35Å; V229-V260 WeakPolarHBondContact O-CG1 3.23Å
230	D	98.5	Very high	98.5	Very high	16 Å²	16	28.1 Å²	28.1	9%	0.086	14%	0.137	C	C	.	.	S	Bend	trans	-78.3	-35.5	177.9	-61.6	-70.6	0	0	0	111.2	G204 S205 N261 S306 H307	G204-D230 WeakPolarHBondContact CA-OD2 3.08Å; S205-D230 PolarHBondContact N-OD2 2.56Å; S205-D230 PolarHBondContact O-N 3.04Å; D230-N261 PolarHBondContact O-N 3.09Å; D230-S306 VanDerWaalsContact CB-O 3.26Å; D230-S306 WeakPolarHBondContact CB-O 3.41Å; D230-H307 WeakPolarHBondContact OD1-CA 3.45Å; D230-H307 IonicContact OD1-CG 3.65Å; D230-H307 IonicContact OD1-ND1 3.77Å; D230-H307 PolarHBondContact OD1-ND1 2.96Å; D230-H307 IonicContact OD2-CE1 3.39Å; D230-H307 PolarHBondContact OD2-CE1 3.18Å; D230-H307 VanDerWaalsContact OD2-CE1 3.27Å; D230-H307 IonicContact OD2-ND1 2.94Å; D230-H307 PolarHBondContact OD2-ND1 2.84Å
231	T	98.9	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.5	-171.7	-55.2	0	0	0	0	111.7	F25 S205 F206 G207 N261 L263	F25-T231 HydrophobicContact CZ-CG2 4.39Å; S205-T231 PolarHBondContact O-N 2.92Å; S205-T231 VanDerWaalsContact O-N 3.15Å; F206-T231 VanDerWaalsContact CA-O 3.31Å; F206-T231 WeakPolarHBondContact CA-O 3.07Å; F206-T231 HydrophobicContact CD1-CG2 3.77Å; F206-T231 HydrophobicContact CE1-CG2 3.47Å; F206-T231 VanDerWaalsContact CE1-CG2 3.47Å; F206-T231 HydrophobicContact CZ-CG2 4.35Å; G207-T231 PolarHBondContact N-O 2.91Å; T231-N261 CarbonylContact C-O 3.52Å; T231-N261 WeakPolarHBondContact CA-O 3.37Å; T231-N261 HydrophobicContact CG2-CB 3.74Å; T231-N261 WeakPolarHBondContact OG1-CB 3.28Å; T231-N261 PolarHBondContact OG1-ND2 2.92Å; T231-L263 HydrophobicContact CG2-CD1 3.49Å; T231-L263 VanDerWaalsContact CG2-CD1 3.49Å
232	I	98.9	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.1	169.9	-65.2	-61.6	0	0	0	110.5	G207 F209 L223 V229 F234 W254 V260 N261 F262 L263	G207-I232 WeakPolarHBondContact O-CA 3.34Å; F209-I232 HydrophobicContact CD1-CD1 4.21Å; F209-I232 HydrophobicContact CD1-CG2 3.94Å; F209-I232 HydrophobicContact CE1-CB 4.34Å; F209-I232 HydrophobicContact CE1-CD1 3.77Å; F209-I232 HydrophobicContact CE1-CG1 3.97Å; F209-I232 HydrophobicContact CE1-CG2 3.43Å; F209-I232 VanDerWaalsContact CE1-CG2 3.43Å; F209-I232 HydrophobicContact CE2-CG2 4.39Å; F209-I232 HydrophobicContact CZ-CG2 3.71Å; L223-I232 HydrophobicContact CB-CD1 4.32Å; L223-I232 HydrophobicContact CD1-CD1 4.32Å; V229-I232 HydrophobicContact CG2-CD1 3.58Å; V229-I232 HydrophobicContact CG2-CG1 4.35Å; I232-F234 HydrophobicContact CG2-CB 4.35Å; I232-W254 HydrophobicContact CG1-CH2 4.23Å; I232-W254 HydrophobicContact CG1-CZ3 4Å; I232-V260 HydrophobicContact CG1-CG2 3.99Å; I232-N261 PolarHBondContact N-O 2.86Å; I232-F262 HydrophobicContact CB-CD2 3.66Å; I232-F262 HydrophobicContact CB-CE2 4.01Å; I232-F262 HydrophobicContact CB-CG 4.45Å; I232-F262 HydrophobicContact CG1-CD2 4.36Å; I232-F262 HydrophobicContact CG2-CD2 3.71Å; I232-F262 HydrophobicContact CG2-CE2 3.52Å; I232-F262 HydrophobicContact CG2-CZ 4.26Å; I232-L263 PolarHBondContact O-N 3.33Å
233	L	98.9	Very high	98.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.5	168.2	-53.8	170.8	0	0	0	108.5	I74 V76 V136 V165 F199 F206 G207 I208 F209 L263	I74-L233 HydrophobicContact CD1-CD1 4.07Å; I74-L233 HydrophobicContact CD1-CD2 3.7Å; I74-L233 HydrophobicContact CG1-CD2 4.47Å; V76-L233 HydrophobicContact CG2-CB 4.45Å; V76-L233 HydrophobicContact CG2-CD2 3.76Å; V136-L233 HydrophobicContact CG1-CB 4.38Å; V136-L233 HydrophobicContact CG1-CD1 4.43Å; V136-L233 HydrophobicContact CG2-CD1 3.62Å; V136-L233 HydrophobicContact CG2-CD2 4.26Å; V136-L233 HydrophobicContact CG2-CG 4.36Å; V165-L233 HydrophobicContact CG2-CD1 4.34Å; F199-L233 HydrophobicContact CE1-CD1 3.56Å; F199-L233 HydrophobicContact CZ-CD1 3.57Å; F206-L233 HydrophobicContact CB-CD1 4.34Å; F206-L233 HydrophobicContact CD1-CD1 4.08Å; F206-L233 HydrophobicContact CD1-CD2 3.69Å; F206-L233 HydrophobicContact CD1-CG 3.85Å; F206-L233 HydrophobicContact CE1-CD2 4.02Å; G207-L233 PolarHBondContact O-N 3.3Å; I208-L233 HydrophobicContact CB-CB 4.31Å; I208-L233 HydrophobicContact CD1-CB 4.14Å; I208-L233 HydrophobicContact CD1-CD1 4.38Å; I208-L233 HydrophobicContact CG1-CB 4.09Å; F209-L233 PolarHBondContact N-O 2.93Å; L233-L263 HydrophobicContact CD2-CB 4.42Å; L233-L263 HydrophobicContact CD2-CD2 3.94Å
234	F	99	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	83.6	-170.2	-172.9	-108.8	0	0	0	112.2	F209 C211 I214 I232 T236 H251 F262 L263 A264 S265	F209-F234 AromaticContact CD2-CD2 3.52Å; F209-F234 HydrophobicContact CD2-CD2 3.52Å; F209-F234 AromaticContact CD2-CE2 3.61Å; F209-F234 HydrophobicContact CD2-CE2 3.61Å; F209-F234 AromaticContact CE2-CD2 3.41Å; F209-F234 HydrophobicContact CE2-CD2 3.41Å; F209-F234 VanDerWaalsContact CE2-CD2 3.41Å; F209-F234 AromaticContact CE2-CE2 3.45Å; F209-F234 HydrophobicContact CE2-CE2 3.45Å; F209-F234 VanDerWaalsContact CE2-CE2 3.45Å; F209-F234 HydrophobicContact CZ-CD2 4.39Å; F209-F234 WeakPolarHBondContact O-CD2 3.48Å; C211-F234 VanDerWaalsContact CA-CZ 3.42Å; C211-F234 VanDerWaalsContact O-CE2 3.22Å; C211-F234 WeakPolarHBondContact O-CE2 3.22Å; C211-F234 WeakPolarHBondContact O-CZ 3.13Å; I214-F234 HydrophobicContact CB-CE2 3.95Å; I214-F234 HydrophobicContact CB-CZ 4.02Å; I214-F234 HydrophobicContact CD1-CE2 4.48Å; I214-F234 HydrophobicContact CD1-CZ 4.2Å; I214-F234 HydrophobicContact CG2-CZ 4.13Å; I232-F234 HydrophobicContact CG2-CB 4.35Å; F234-T236 HydrophobicContact CD1-CG2 3.88Å; F234-T236 VanDerWaalsContact CE1-CB 3.49Å; F234-T236 HydrophobicContact CE1-CG2 3.66Å; F234-H251 AromaticContact CE1-CD2 3.86Å; F234-H251 AromaticContact CE1-CE1 3.58Å; F234-H251 AromaticContact CE1-ND1 3.84Å; F234-H251 AromaticContact CE1-NE2 3.58Å; F234-F262 HydrophobicContact CB-CD1 4.25Å; F234-F262 HydrophobicContact CB-CE1 3.44Å; F234-F262 VanDerWaalsContact CB-CE1 3.44Å; F234-F262 HydrophobicContact CB-CE2 4.28Å; F234-F262 HydrophobicContact CB-CZ 3.45Å; F234-F262 VanDerWaalsContact CB-CZ 3.45Å; F234-F262 AromaticContact CD1-CE1 3.43Å; F234-F262 HydrophobicContact CD1-CE1 3.43Å; F234-F262 VanDerWaalsContact CD1-CE1 3.43Å; F234-F262 AromaticContact CD1-CZ 3.58Å; F234-F262 HydrophobicContact CD1-CZ 3.58Å; F234-F262 HydrophobicContact CD2-CE1 4.3Å; F234-F262 HydrophobicContact CD2-CE2 4.49Å; F234-F262 AromaticContact CD2-CZ 3.64Å; F234-F262 HydrophobicContact CD2-CZ 3.64Å; F234-F262 HydrophobicContact CE1-CE1 4.17Å; F234-F262 HydrophobicContact CE1-CZ 4.13Å; F234-F262 HydrophobicContact CE2-CZ 4.19Å; F234-F262 AromaticContact CG-CE1 3.47Å; F234-F262 HydrophobicContact CG-CE1 3.47Å; F234-F262 VanDerWaalsContact CG-CE1 3.47Å; F234-F262 HydrophobicContact CG-CE2 4.35Å; F234-F262 AromaticContact CG-CZ 3.27Å; F234-F262 HydrophobicContact CG-CZ 3.27Å; F234-F262 HydrophobicContact CZ-CZ 4.39Å; F234-L263 PolarHBondContact N-O 2.87Å; F234-A264 HydrophobicContact CD1-CB 4.06Å; F234-A264 WeakPolarHBondContact O-CA 3.19Å; F234-S265 PolarHBondContact O-N 2.97Å
235	P	99	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	133.1	161.8	-20.4	36.4	0	0	0	109.8	V76 T77 E79 V136 N138 D163 T210 C211	V76-P235 HydrophobicContact CG1-CG 3.99Å; T77-P235 WeakPolarHBondContact O-CB 3.42Å; E79-P235 HydrophobicContact CB-CB 4.37Å; V136-P235 HydrophobicContact CG1-CG 4.08Å; N138-P235 HydrophobicContact CB-CB 4.32Å; D163-P235 WeakPolarHBondContact OD1-CG 3.43Å; T210-P235 WeakPolarHBondContact CG2-O 3.12Å; C211-P235 PolarHBondContact N-O 3.39Å; C211-P235 VanDerWaalsContact N-O 3.13Å
236	T	98.9	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	150.5	-179.4	-171.3	0	0	0	0	112.9	E79 C211 F234 W238 S265 N266 I267	E79-T236 VanDerWaalsContact CB-C 3.47Å; C211-T236 WeakPolarHBondContact CA-OG1 3.31Å; C211-T236 WeakPolarHBondContact CB-OG1 3.44Å; C211-T236 PolarHBondContact SG-OG1 3.22Å; F234-T236 HydrophobicContact CD1-CG2 3.88Å; F234-T236 VanDerWaalsContact CE1-CB 3.49Å; F234-T236 HydrophobicContact CE1-CG2 3.66Å; T236-W238 HydrophobicContact CG2-CB 4.43Å; T236-S265 WeakPolarHBondContact CG2-O 3.45Å; T236-S265 PolarHBondContact N-O 3.13Å; T236-N266 HydrophobicContact CG2-CB 3.82Å; T236-N266 CarbonylContact O-C 3.59Å; T236-N266 VanDerWaalsContact O-CA 3.26Å; T236-N266 WeakPolarHBondContact O-CA 3.47Å; T236-N266 PolarHBondContact O-OD1 3.33Å; T236-N266 VanDerWaalsContact O-OD1 3.08Å; T236-I267 PolarHBondContact O-N 3.39Å
237	A	98.8	Very high	98.6	Very high	12 Å²	12	21.6 Å²	21.6	10%	0.099	11%	0.108	C	C	.	.			trans	-121.5	64.1	167.1	0	0	0	0	0	108.7	E79 N266 I267 M274	E79-A237 HydrophobicContact CB-CB 4.22Å; E79-A237 HydrophobicContact CG-CB 4.33Å; E79-A237 WeakPolarHBondContact OE2-CB 3.38Å; E79-A237 PolarHBondContact OE2-N 3.32Å; A237-N266 WeakPolarHBondContact CA-OD1 2.99Å; A237-I267 HydrophobicContact CB-CB 4.34Å; A237-I267 HydrophobicContact CB-CG1 3.73Å; A237-M274 HydrophobicContact CB-CE 4.46Å
238	W	98.8	Very high	98.7	Very high	15 Å²	15	16.9 Å²	16.9	6%	0.057	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-82.5	128.1	-168.1	-168.4	-87.2	0	0	0	112.2	I214 L215 T236 L245 A247 H251 N266 M274	I214-W238 HydrophobicContact CG2-CH2 4.04Å; I214-W238 HydrophobicContact CG2-CZ3 3.77Å; L215-W238 HydrophobicContact CD1-CH2 3.98Å; L215-W238 HydrophobicContact CG-CH2 4.25Å; T236-W238 HydrophobicContact CG2-CB 4.43Å; W238-L245 HydrophobicContact CZ2-CB 4.19Å; W238-L245 HydrophobicContact CZ2-CD2 4.19Å; W238-L245 PolarHBondContact NE1-O 2.84Å; W238-A247 HydrophobicContact CB-CB 4.17Å; W238-A247 HydrophobicContact CG-CB 4.04Å; W238-H251 AromaticContact CD2-NE2 3.66Å; W238-H251 AromaticContact CE3-NE2 3.72Å; W238-H251 AromaticContact CG-NE2 3.99Å; W238-N266 PolarHBondContact N-OD1 2.84Å; W238-N266 PolarHBondContact O-ND2 3.48Å; W238-M274 WeakPolarHBondContact O-CA 3.18Å; W238-M274 WeakPolarHBondContact O-CG 3.32Å
239	M	98.6	Very high	98.8	Very high	69 Å²	69	10.8 Å²	10.8	34%	0.34	6%	0.059	S	C	.	.	P	Polyproline II helix	trans	-91.5	117.4	171.4	-62.9	-179.7	-72.5	0	0	109.7	F182 V241 K272 M274	F182-M239 HydrophobicContact CD1-CE 4.23Å; F182-M239 HydrophobicContact CE1-CE 3.51Å; F182-M239 HydrophobicContact CZ-CE 3.95Å; M239-V241 PolarHBondContact O-N 3.15Å; M239-K272 WeakPolarHBondContact CG-O 3.16Å; M239-M274 HydrophobicContact CG-CE 3.43Å; M239-M274 VanDerWaalsContact CG-CE 3.43Å; M239-M274 HydrophobicContact CG-CG 3.94Å; M239-M274 HydrophobicContact SD-CE 4.02Å
240	N	98.7	Very high	98.8	Very high	11 Å²	11	10.8 Å²	10.8	6%	0.059	6%	0.059	C	C	.	.	P	Polyproline II helix	trans	-67.1	129.5	-176.5	-64.7	-41.5	0	0	0	112	A247 N273 T275	N240-A247 WeakPolarHBondContact OD1-CB 3.49Å; N240-A247 PolarHBondContact OD1-N 3.47Å; N240-N273 HydrophobicContact CB-CB 4.26Å; N240-N273 WeakPolarHBondContact CB-O 3.22Å; N240-N273 PolarHBondContact N-O 2.85Å; N240-N273 PolarHBondContact ND2-O 3.45Å; N240-T275 PolarHBondContact ND2-O 3.02Å; N240-T275 PolarHBondContact OD1-O 3.02Å
241	V	98.5	Very high	98.8	Very high	47 Å²	47	10 Å²	10	29%	0.285	6%	0.055	S	C	.	.	B	Isolated β-bridge	trans	-128.5	99.3	173.8	-177.2	0	0	0	0	109.6	M239 L245 F338	M239-V241 PolarHBondContact O-N 3.15Å; V241-L245 HydrophobicContact CB-CB 4.16Å; V241-L245 PolarHBondContact N-O 2.72Å; V241-L245 CarbonylContact O-C 3.52Å; V241-L245 VanDerWaalsContact O-C 3.29Å; V241-L245 VanDerWaalsContact O-CA 3.27Å; V241-L245 WeakPolarHBondContact O-CA 3.41Å; V241-L245 WeakPolarHBondContact O-CB 3.28Å; V241-L245 PolarHBondContact O-N 3.21Å; V241-F338 HydrophobicContact CG1-CD2 3.56Å; V241-F338 HydrophobicContact CG1-CE2 3.88Å; V241-F338 HydrophobicContact CG1-CG 4.09Å
242	L	98.6	Very high	98.8	Very high	17 Å²	17	11 Å²	11	9%	0.089	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	149	173	-70.7	169.4	0	0	0	110.7	V415 E416 L441	L242-V415 WeakPolarHBondContact CD1-O 3.39Å; L242-E416 HydrophobicContact CD1-CG 4.19Å; L242-L441 HydrophobicContact CD2-CD2 3.51Å
243	P	98.6	Very high	98.8	Very high	16 Å²	16	11.1 Å²	11.1	10%	0.104	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.2	-2.4	13.9	35.6	-35.5	0	0	0	116.6	V337 L401	P243-V337 HydrophobicContact CG-CG1 3.52Å; P243-L401 HydrophobicContact CG-CD2 4.21Å
244	H	98.8	Very high	98.8	Very high	9 Å²	9	11.1 Å²	11.1	4%	0.042	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-0.7	-168.6	-51.7	143.1	0	0	0	115	T399 T474 F476	H244-T399 PolarHBondContact NE2-OG1 2.84Å; H244-T474 PolarHBondContact CD2-OG1 3.31Å; H244-T474 VanDerWaalsContact CD2-OG1 3.28Å; H244-T474 PolarHBondContact NE2-OG1 2.86Å; H244-F476 HydrophobicContact CB-CD2 4.08Å; H244-F476 HydrophobicContact CB-CE2 4.2Å
245	L	98.8	Very high	98.8	Very high	13 Å²	13	11.1 Å²	11.1	7%	0.068	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-130.5	36.7	-176.2	-64.1	173.7	0	0	0	110.3	L215 W238 V241 F250 F338 F476	L215-L245 HydrophobicContact CD2-CD2 4.22Å; W238-L245 HydrophobicContact CZ2-CB 4.19Å; W238-L245 HydrophobicContact CZ2-CD2 4.19Å; W238-L245 PolarHBondContact NE1-O 2.84Å; V241-L245 HydrophobicContact CB-CB 4.16Å; V241-L245 PolarHBondContact N-O 2.72Å; V241-L245 CarbonylContact O-C 3.52Å; V241-L245 VanDerWaalsContact O-C 3.29Å; V241-L245 VanDerWaalsContact O-CA 3.27Å; V241-L245 WeakPolarHBondContact O-CA 3.41Å; V241-L245 WeakPolarHBondContact O-CB 3.28Å; V241-L245 PolarHBondContact O-N 3.21Å; L245-F250 HydrophobicContact CD2-CB 4.49Å; L245-F250 HydrophobicContact CD2-CD1 4.49Å; L245-F250 HydrophobicContact CD2-CD2 3.92Å; L245-F250 HydrophobicContact CD2-CE2 4.33Å; L245-F250 HydrophobicContact CD2-CG 4.03Å; L245-F338 HydrophobicContact CD1-CD1 3.93Å; L245-F338 HydrophobicContact CD1-CE1 3.8Å; L245-F476 HydrophobicContact CD2-CE2 4.33Å; L245-F476 HydrophobicContact CD2-CZ 4.41Å
246	S	98.8	Very high	98.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.069	C	C	.	.			trans	-72.3	137.7	160	-173.6	0	0	0	0	108.7	V248 E249 F250 N445	S246-V248 PolarHBondContact O-N 2.82Å; S246-E249 WeakPolarHBondContact O-CB 3.34Å; S246-E249 PolarHBondContact O-N 3.02Å; S246-E249 VanDerWaalsContact O-N 3.14Å; S246-F250 PolarHBondContact O-N 3.02Å; S246-N445 PolarHBondContact OG-OD1 3.47Å
247	A	98.9	Very high	98.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56.4	-53.7	-172.5	0	0	0	0	0	111.9	W238 N240 E249 H251 G276	W238-A247 HydrophobicContact CB-CB 4.17Å; W238-A247 HydrophobicContact CG-CB 4.04Å; N240-A247 WeakPolarHBondContact OD1-CB 3.49Å; N240-A247 PolarHBondContact OD1-N 3.47Å; A247-E249 PolarHBondContact O-N 2.78Å; A247-H251 VanDerWaalsContact CB-CE1 3.45Å; A247-H251 WeakPolarHBondContact CB-CE1 3.18Å; A247-H251 WeakPolarHBondContact O-CB 3.34Å; A247-H251 PolarHBondContact O-CD2 3.2Å; A247-H251 PolarHBondContact O-N 3Å; A247-H251 PolarHBondContact O-ND1 2.83Å; A247-G276 WeakPolarHBondContact CB-O 3.44Å
248	V	98.9	Very high	98.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.6	-31.7	-179.2	-62.8	0	0	0	0	112.4	S246 S252 G276 F288 H289 L447	S246-V248 PolarHBondContact O-N 2.82Å; V248-S252 VanDerWaalsContact O-CB 3.23Å; V248-S252 WeakPolarHBondContact O-CB 3.34Å; V248-S252 PolarHBondContact O-N 3.28Å; V248-S252 PolarHBondContact O-OG 2.95Å; V248-G276 VanDerWaalsContact CG1-CA 3.5Å; V248-F288 HydrophobicContact CG1-CB 4.26Å; V248-F288 HydrophobicContact CG1-CD2 4.36Å; V248-H289 WeakPolarHBondContact CG1-O 3.28Å; V248-L447 HydrophobicContact CB-CD1 4.16Å; V248-L447 HydrophobicContact CB-CD2 4.28Å; V248-L447 HydrophobicContact CB-CG 4.22Å; V248-L447 HydrophobicContact CG2-CD2 4.1Å; V248-L447 HydrophobicContact CG2-CG 4.25Å; V248-L447 WeakPolarHBondContact O-CD2 3.3Å
249	E	98.9	Very high	98.6	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-68.3	-66.8	178	178.8	-178.6	-144.6	0	0	110.2	S246 A247 H251 S252 A253 E439 L441 T472	S246-E249 WeakPolarHBondContact O-CB 3.34Å; S246-E249 PolarHBondContact O-N 3.02Å; S246-E249 VanDerWaalsContact O-N 3.14Å; A247-E249 PolarHBondContact O-N 2.78Å; E249-H251 PolarHBondContact O-N 3.09Å; E249-S252 PolarHBondContact O-N 2.87Å; E249-S252 PolarHBondContact O-OG 2.82Å; E249-S252 VanDerWaalsContact O-OG 3.06Å; E249-A253 WeakPolarHBondContact O-CB 3.36Å; E249-A253 PolarHBondContact O-N 2.95Å; E249-E439 HydrophobicContact CG-CB 3.97Å; E249-E439 HydrophobicContact CG-CG 4.07Å; E249-L441 HydrophobicContact CB-CD1 4.11Å; E249-L441 HydrophobicContact CB-CD2 4.42Å; E249-L441 HydrophobicContact CG-CB 4.32Å; E249-T472 WeakPolarHBondContact OE1-CG2 3.32Å
250	F	98.9	Very high	98.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.5	-41	-171	-171.7	-100.5	0	0	0	111.9	I214 L215 L245 S246 S252 A253 W254 F437 E439 F476	I214-F250 HydrophobicContact CD1-CD1 4.13Å; I214-F250 HydrophobicContact CD1-CE1 4.1Å; I214-F250 HydrophobicContact CG1-CE1 4.05Å; I214-F250 HydrophobicContact CG2-CD1 4.18Å; I214-F250 HydrophobicContact CG2-CE1 3.86Å; L215-F250 HydrophobicContact CD2-CD1 4.46Å; L215-F250 HydrophobicContact CD2-CE1 3.61Å; L215-F250 HydrophobicContact CD2-CE2 4.23Å; L215-F250 HydrophobicContact CD2-CZ 3.48Å; L215-F250 VanDerWaalsContact CD2-CZ 3.48Å; L215-F250 HydrophobicContact CG-CE1 4.36Å; L245-F250 HydrophobicContact CD2-CB 4.49Å; L245-F250 HydrophobicContact CD2-CD1 4.49Å; L245-F250 HydrophobicContact CD2-CD2 3.92Å; L245-F250 HydrophobicContact CD2-CE2 4.33Å; L245-F250 HydrophobicContact CD2-CG 4.03Å; S246-F250 PolarHBondContact O-N 3.02Å; F250-S252 PolarHBondContact O-N 2.89Å; F250-A253 PolarHBondContact O-N 3.41Å; F250-W254 WeakPolarHBondContact O-CB 3.27Å; F250-W254 PolarHBondContact O-N 2.87Å; F250-F437 AromaticContact CE2-CD2 3.99Å; F250-F437 HydrophobicContact CE2-CD2 3.99Å; F250-F437 AromaticContact CZ-CD2 3.96Å; F250-F437 HydrophobicContact CZ-CD2 3.96Å; F250-F437 HydrophobicContact CZ-CE2 4.29Å; F250-E439 WeakPolarHBondContact CD2-OE1 3.44Å; F250-F476 AromaticContact CE2-CD1 3.7Å; F250-F476 HydrophobicContact CE2-CD1 3.7Å; F250-F476 HydrophobicContact CE2-CD2 4.33Å; F250-F476 AromaticContact CE2-CE1 3.84Å; F250-F476 HydrophobicContact CE2-CE1 3.84Å; F250-F476 HydrophobicContact CE2-CE2 4.47Å; F250-F476 AromaticContact CE2-CG 3.95Å; F250-F476 HydrophobicContact CE2-CG 3.95Å; F250-F476 HydrophobicContact CE2-CZ 4.24Å; F250-F476 HydrophobicContact CZ-CD1 4.43Å; F250-F476 HydrophobicContact CZ-CE1 4.34Å
251	H	98.9	Very high	98.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65	-39.9	-179.3	-55.6	160.8	0	0	0	111.7	F234 W238 A247 E249 A255 F262 A264 Y280	F234-H251 AromaticContact CE1-CD2 3.86Å; F234-H251 AromaticContact CE1-CE1 3.58Å; F234-H251 AromaticContact CE1-ND1 3.84Å; F234-H251 AromaticContact CE1-NE2 3.58Å; W238-H251 AromaticContact CD2-NE2 3.66Å; W238-H251 AromaticContact CE3-NE2 3.72Å; W238-H251 AromaticContact CG-NE2 3.99Å; A247-H251 VanDerWaalsContact CB-CE1 3.45Å; A247-H251 WeakPolarHBondContact CB-CE1 3.18Å; A247-H251 WeakPolarHBondContact O-CB 3.34Å; A247-H251 PolarHBondContact O-CD2 3.2Å; A247-H251 PolarHBondContact O-N 3Å; A247-H251 PolarHBondContact O-ND1 2.83Å; E249-H251 PolarHBondContact O-N 3.09Å; H251-A255 PolarHBondContact O-N 2.86Å; H251-A255 VanDerWaalsContact O-N 3.08Å; H251-F262 HydrophobicContact CB-CD1 4.42Å; H251-F262 HydrophobicContact CB-CE1 3.95Å; H251-A264 HydrophobicContact CB-CB 4.47Å; H251-Y280 HydrophobicContact CB-CD2 4.27Å; H251-Y280 HydrophobicContact CB-CE2 3.58Å
252	S	98.9	Very high	98.6	Very high	22 Å²	22	8.5 Å²	8.5	15%	0.154	5%	0.048	C	C	.	.	H	α-helix	trans	-72.2	-35.7	178.1	73.6	0	0	0	0	112.3	V248 E249 F250 A255 M256	V248-S252 VanDerWaalsContact O-CB 3.23Å; V248-S252 WeakPolarHBondContact O-CB 3.34Å; V248-S252 PolarHBondContact O-N 3.28Å; V248-S252 PolarHBondContact O-OG 2.95Å; E249-S252 PolarHBondContact O-N 2.87Å; E249-S252 PolarHBondContact O-OG 2.82Å; E249-S252 VanDerWaalsContact O-OG 3.06Å; F250-S252 PolarHBondContact O-N 2.89Å; S252-A255 PolarHBondContact O-N 3.06Å; S252-M256 PolarHBondContact O-N 2.99Å
253	A	98.9	Very high	98.6	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.008	4%	0.044	C	C	.	.	H	α-helix	trans	-65	-41.8	173.4	0	0	0	0	0	112	E249 F250 M256 G257 F437 P438 E439	E249-A253 WeakPolarHBondContact O-CB 3.36Å; E249-A253 PolarHBondContact O-N 2.95Å; F250-A253 PolarHBondContact O-N 3.41Å; A253-M256 PolarHBondContact O-N 2.98Å; A253-G257 PolarHBondContact O-N 2.93Å; A253-F437 HydrophobicContact CB-CB 4Å; A253-P438 WeakPolarHBondContact CA-O 3.38Å; A253-P438 WeakPolarHBondContact CB-O 3.45Å; A253-E439 HydrophobicContact CB-CB 4.38Å; A253-E439 HydrophobicContact CB-CG 3.44Å; A253-E439 VanDerWaalsContact CB-CG 3.44Å
254	W	98.9	Very high	98.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.4	-45.9	175.2	-168.2	99	0	0	0	111.2	F209 I214 A220 V224 I232 F250 M256 G257 M258 V260 F262 F437	F209-W254 AromaticContact CE1-CH2 3.83Å; F209-W254 HydrophobicContact CE1-CH2 3.83Å; F209-W254 HydrophobicContact CE1-CZ2 4.24Å; F209-W254 HydrophobicContact CE1-CZ3 4.4Å; F209-W254 AromaticContact CZ-CH2 3.72Å; F209-W254 HydrophobicContact CZ-CH2 3.72Å; F209-W254 AromaticContact CZ-CZ2 3.9Å; F209-W254 HydrophobicContact CZ-CZ2 3.9Å; F209-W254 HydrophobicContact CZ-CZ3 4.07Å; I214-W254 HydrophobicContact CD1-CB 3.84Å; I214-W254 HydrophobicContact CD1-CD2 4.24Å; I214-W254 HydrophobicContact CD1-CG 3.81Å; I214-W254 HydrophobicContact CG1-CB 4.22Å; I214-W254 HydrophobicContact CG1-CD2 3.95Å; I214-W254 HydrophobicContact CG1-CG 3.67Å; I214-W254 PolarHBondContact O-NE1 3.06Å; A220-W254 HydrophobicContact CB-CZ2 3.9Å; V224-W254 HydrophobicContact CG2-CH2 3.81Å; V224-W254 HydrophobicContact CG2-CZ3 4.49Å; I232-W254 HydrophobicContact CG1-CH2 4.23Å; I232-W254 HydrophobicContact CG1-CZ3 4Å; F250-W254 WeakPolarHBondContact O-CB 3.27Å; F250-W254 PolarHBondContact O-N 2.87Å; W254-M256 VanDerWaalsContact C-N 3.31Å; W254-M256 PolarHBondContact O-N 3.42Å; W254-G257 PolarHBondContact O-N 3.27Å; W254-M258 HydrophobicContact CD2-CB 4.32Å; W254-M258 HydrophobicContact CD2-CG 3.69Å; W254-M258 HydrophobicContact CE3-CB 4.05Å; W254-M258 HydrophobicContact CE3-CG 3.93Å; W254-M258 HydrophobicContact CG-CG 4.31Å; W254-M258 HydrophobicContact CH2-CB 4.07Å; W254-M258 HydrophobicContact CH2-CG 3.86Å; W254-M258 HydrophobicContact CZ2-CB 4.35Å; W254-M258 HydrophobicContact CZ2-CE 4.26Å; W254-M258 HydrophobicContact CZ2-CG 3.63Å; W254-M258 HydrophobicContact CZ3-CB 3.91Å; W254-M258 HydrophobicContact CZ3-CG 4.01Å; W254-M258 VanDerWaalsContact O-CB 3.3Å; W254-M258 WeakPolarHBondContact O-CB 3.31Å; W254-M258 WeakPolarHBondContact O-CG 3.43Å; W254-M258 PolarHBondContact O-N 2.83Å; W254-V260 HydrophobicContact CE3-CG2 4.43Å; W254-V260 HydrophobicContact CZ3-CG2 3.72Å; W254-F262 HydrophobicContact CD2-CE2 4.4Å; W254-F262 AromaticContact CE3-CD2 3.66Å; W254-F262 HydrophobicContact CE3-CD2 3.66Å; W254-F262 AromaticContact CE3-CE2 3.58Å; W254-F262 HydrophobicContact CE3-CE2 3.58Å; W254-F262 AromaticContact CZ3-CD2 3.77Å; W254-F262 HydrophobicContact CZ3-CD2 3.77Å; W254-F262 AromaticContact CZ3-CE2 3.76Å; W254-F262 HydrophobicContact CZ3-CE2 3.76Å; W254-F437 HydrophobicContact CB-CD1 4.34Å; W254-F437 AromaticContact CD1-CD1 3.98Å; W254-F437 AromaticContact CD1-CE1 3.57Å; W254-F437 AromaticContact CD1-CZ 3.59Å; W254-F437 HydrophobicContact CG-CD1 4.28Å; W254-F437 HydrophobicContact CG-CE1 4.15Å; W254-F437 AromaticContact NE1-CE1 3.97Å; W254-F437 AromaticContact NE1-CZ 3.86Å
255	A	98.7	Very high	98.6	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-58.1	-41.6	175.4	0	0	0	0	0	112.5	H251 S252 R259 V260 F262	H251-A255 PolarHBondContact O-N 2.86Å; H251-A255 VanDerWaalsContact O-N 3.08Å; S252-A255 PolarHBondContact O-N 3.06Å; A255-R259 VanDerWaalsContact O-CA 3.25Å; A255-R259 WeakPolarHBondContact O-CA 3.35Å; A255-R259 PolarHBondContact O-N 3.14Å; A255-V260 PolarHBondContact O-N 3.38Å; A255-F262 HydrophobicContact CB-CB 3.52Å; A255-F262 HydrophobicContact CB-CG 4.18Å
256	M	98.2	Very high	98.6	Very high	28 Å²	28	5.9 Å²	5.9	14%	0.138	3%	0.034	C	C	.	.	H	α-helix	trans	-67.9	-45.6	176.1	-178.7	172.7	-59.4	0	0	112.4	S252 A253 W254 R259 P282 S283 P438 F452 V454	S252-M256 PolarHBondContact O-N 2.99Å; A253-M256 PolarHBondContact O-N 2.98Å; W254-M256 VanDerWaalsContact C-N 3.31Å; W254-M256 PolarHBondContact O-N 3.42Å; M256-R259 WeakPolarHBondContact O-CG 3.23Å; M256-R259 PolarHBondContact O-N 3.44Å; M256-P282 WeakPolarHBondContact CG-O 3.44Å; M256-S283 WeakPolarHBondContact CE-O 3.46Å; M256-P438 HydrophobicContact CB-CG 4.1Å; M256-P438 HydrophobicContact CG-CG 3.72Å; M256-P438 HydrophobicContact SD-CB 4.38Å; M256-P438 HydrophobicContact SD-CG 3.49Å; M256-P438 WeakPolarHBondContact SD-CG 3.32Å; M256-F452 HydrophobicContact CE-CE2 3.6Å; M256-F452 HydrophobicContact CE-CZ 3.76Å; M256-F452 HydrophobicContact SD-CE2 3.63Å; M256-F452 HydrophobicContact SD-CZ 4.3Å; M256-V454 HydrophobicContact SD-CG2 4.09Å
257	G	97.8	Very high	98.6	Very high	18 Å²	18	5.9 Å²	5.9	19%	0.186	3%	0.034	C	C	.	.	H	α-helix	trans	-65.8	-41.1	-179.6	0	0	0	0	0	112.7	A253 W254	A253-G257 PolarHBondContact O-N 2.93Å; W254-G257 PolarHBondContact O-N 3.27Å
258	M	97.8	Very high	98.6	Very high	13 Å²	13	6.1 Å²	6.1	6%	0.064	4%	0.035	C	C	.	.	H	α-helix	trans	-86	-14.4	178.7	-62.3	-57.8	-71.5	0	0	113.6	V221 V224 W254 V260 Y435 F437	V221-M258 HydrophobicContact CB-CE 4.48Å; V221-M258 HydrophobicContact CG1-CE 4.3Å; V221-M258 HydrophobicContact CG2-CE 4.4Å; V224-M258 HydrophobicContact CB-CE 3.68Å; V224-M258 HydrophobicContact CG1-CB 4.41Å; V224-M258 HydrophobicContact CG1-CE 3.94Å; V224-M258 WeakPolarHBondContact CG1-O 3.43Å; V224-M258 HydrophobicContact CG2-CB 4.39Å; V224-M258 HydrophobicContact CG2-CE 3.92Å; W254-M258 HydrophobicContact CD2-CB 4.32Å; W254-M258 HydrophobicContact CD2-CG 3.69Å; W254-M258 HydrophobicContact CE3-CB 4.05Å; W254-M258 HydrophobicContact CE3-CG 3.93Å; W254-M258 HydrophobicContact CG-CG 4.31Å; W254-M258 HydrophobicContact CH2-CB 4.07Å; W254-M258 HydrophobicContact CH2-CG 3.86Å; W254-M258 HydrophobicContact CZ2-CB 4.35Å; W254-M258 HydrophobicContact CZ2-CE 4.26Å; W254-M258 HydrophobicContact CZ2-CG 3.63Å; W254-M258 HydrophobicContact CZ3-CB 3.91Å; W254-M258 HydrophobicContact CZ3-CG 4.01Å; W254-M258 VanDerWaalsContact O-CB 3.3Å; W254-M258 WeakPolarHBondContact O-CB 3.31Å; W254-M258 WeakPolarHBondContact O-CG 3.43Å; W254-M258 PolarHBondContact O-N 2.83Å; M258-V260 HydrophobicContact CB-CG2 4.33Å; M258-Y435 HydrophobicContact CE-CE1 4.44Å; M258-Y435 HydrophobicContact SD-CD1 4Å; M258-Y435 HydrophobicContact SD-CE1 4.46Å; M258-F437 HydrophobicContact CG-CE1 3.95Å; M258-F437 HydrophobicContact SD-CE1 4.01Å
259	R	97.2	Very high	98.6	Very high	38 Å²	38	9.8 Å²	9.8	14%	0.143	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	46.7	173.9	-50.3	163.1	-178.6	-149.8	-16.8	113.4	A255 M256 P282 H310 S311 V312 V313 V314	A255-R259 VanDerWaalsContact O-CA 3.25Å; A255-R259 WeakPolarHBondContact O-CA 3.35Å; A255-R259 PolarHBondContact O-N 3.14Å; M256-R259 WeakPolarHBondContact O-CG 3.23Å; M256-R259 PolarHBondContact O-N 3.44Å; R259-P282 VanDerWaalsContact C-CG 3.5Å; R259-P282 HydrophobicContact CB-CB 4.27Å; R259-H310 PolarHBondContact O-CE1 3.04Å; R259-H310 PolarHBondContact O-ND1 2.91Å; R259-S311 PolarHBondContact NH1-O 2.96Å; R259-V312 VanDerWaalsContact CZ-O 3.3Å; R259-V312 VanDerWaalsContact NH1-C 3.3Å; R259-V312 PolarHBondContact NH1-O 2.92Å; R259-V312 VanDerWaalsContact NH1-O 3.07Å; R259-V312 PolarHBondContact NH2-O 3.26Å; R259-V313 VanDerWaalsContact NH1-CA 3.32Å; R259-V314 VanDerWaalsContact NH2-CG2 3.27Å
260	V	98.1	Very high	98.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-123	158.9	174.6	-65.3	0	0	0	0	109.7	V224 V229 I232 W254 A255 M258	V224-V260 HydrophobicContact CG1-CG1 3.87Å; V224-V260 HydrophobicContact CG2-CG1 3.94Å; V229-V260 WeakPolarHBondContact O-CG1 3.23Å; I232-V260 HydrophobicContact CG1-CG2 3.99Å; W254-V260 HydrophobicContact CE3-CG2 4.43Å; W254-V260 HydrophobicContact CZ3-CG2 3.72Å; A255-V260 PolarHBondContact O-N 3.38Å; M258-V260 HydrophobicContact CB-CG2 4.33Å
261	N	98.8	Very high	98.5	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.011	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	150.6	160	-66.2	-36.8	0	0	0	109.3	D230 T231 I232 Y280 L304 E305	D230-N261 PolarHBondContact O-N 3.09Å; T231-N261 CarbonylContact C-O 3.52Å; T231-N261 WeakPolarHBondContact CA-O 3.37Å; T231-N261 HydrophobicContact CG2-CB 3.74Å; T231-N261 WeakPolarHBondContact OG1-CB 3.28Å; T231-N261 PolarHBondContact OG1-ND2 2.92Å; I232-N261 PolarHBondContact N-O 2.86Å; N261-Y280 CarbonylContact C-O 3.47Å; N261-Y280 VanDerWaalsContact CA-O 3.31Å; N261-Y280 WeakPolarHBondContact CA-O 3.25Å; N261-L304 HydrophobicContact CB-CD1 3.95Å; N261-E305 PolarHBondContact ND2-O 2.91Å
262	F	98.9	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	122.2	-176.2	-163.7	-81.7	0	0	0	110.9	F209 I214 I232 F234 H251 W254 A255 A264 Y280	F209-F262 HydrophobicContact CE2-CE2 4.25Å; F209-F262 HydrophobicContact CE2-CZ 4.36Å; F209-F262 AromaticContact CZ-CE2 3.79Å; F209-F262 HydrophobicContact CZ-CE2 3.79Å; F209-F262 HydrophobicContact CZ-CZ 4.35Å; I214-F262 HydrophobicContact CD1-CE2 4.17Å; I214-F262 HydrophobicContact CD1-CZ 3.72Å; I232-F262 HydrophobicContact CB-CD2 3.66Å; I232-F262 HydrophobicContact CB-CE2 4.01Å; I232-F262 HydrophobicContact CB-CG 4.45Å; I232-F262 HydrophobicContact CG1-CD2 4.36Å; I232-F262 HydrophobicContact CG2-CD2 3.71Å; I232-F262 HydrophobicContact CG2-CE2 3.52Å; I232-F262 HydrophobicContact CG2-CZ 4.26Å; F234-F262 HydrophobicContact CB-CD1 4.25Å; F234-F262 HydrophobicContact CB-CE1 3.44Å; F234-F262 VanDerWaalsContact CB-CE1 3.44Å; F234-F262 HydrophobicContact CB-CE2 4.28Å; F234-F262 HydrophobicContact CB-CZ 3.45Å; F234-F262 VanDerWaalsContact CB-CZ 3.45Å; F234-F262 AromaticContact CD1-CE1 3.43Å; F234-F262 HydrophobicContact CD1-CE1 3.43Å; F234-F262 VanDerWaalsContact CD1-CE1 3.43Å; F234-F262 AromaticContact CD1-CZ 3.58Å; F234-F262 HydrophobicContact CD1-CZ 3.58Å; F234-F262 HydrophobicContact CD2-CE1 4.3Å; F234-F262 HydrophobicContact CD2-CE2 4.49Å; F234-F262 AromaticContact CD2-CZ 3.64Å; F234-F262 HydrophobicContact CD2-CZ 3.64Å; F234-F262 HydrophobicContact CE1-CE1 4.17Å; F234-F262 HydrophobicContact CE1-CZ 4.13Å; F234-F262 HydrophobicContact CE2-CZ 4.19Å; F234-F262 AromaticContact CG-CE1 3.47Å; F234-F262 HydrophobicContact CG-CE1 3.47Å; F234-F262 VanDerWaalsContact CG-CE1 3.47Å; F234-F262 HydrophobicContact CG-CE2 4.35Å; F234-F262 AromaticContact CG-CZ 3.27Å; F234-F262 HydrophobicContact CG-CZ 3.27Å; F234-F262 HydrophobicContact CZ-CZ 4.39Å; H251-F262 HydrophobicContact CB-CD1 4.42Å; H251-F262 HydrophobicContact CB-CE1 3.95Å; W254-F262 HydrophobicContact CD2-CE2 4.4Å; W254-F262 AromaticContact CE3-CD2 3.66Å; W254-F262 HydrophobicContact CE3-CD2 3.66Å; W254-F262 AromaticContact CE3-CE2 3.58Å; W254-F262 HydrophobicContact CE3-CE2 3.58Å; W254-F262 AromaticContact CZ3-CD2 3.77Å; W254-F262 HydrophobicContact CZ3-CD2 3.77Å; W254-F262 AromaticContact CZ3-CE2 3.76Å; W254-F262 HydrophobicContact CZ3-CE2 3.76Å; A255-F262 HydrophobicContact CB-CB 3.52Å; A255-F262 HydrophobicContact CB-CG 4.18Å; F262-A264 HydrophobicContact CD1-CB 4.03Å; F262-A264 HydrophobicContact CE1-CB 3.86Å; F262-Y280 HydrophobicContact CB-CD2 4.07Å; F262-Y280 AromaticContact CD1-CD2 3.74Å; F262-Y280 HydrophobicContact CD1-CD2 3.74Å; F262-Y280 HydrophobicContact CD1-CE2 4.06Å; F262-Y280 HydrophobicContact CG-CD2 4.28Å; F262-Y280 PolarHBondContact N-O 3.3Å; F262-Y280 PolarHBondContact O-N 2.97Å
263	L	98.9	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	94.1	-177.5	-77.9	61.3	0	0	0	108.7	A27 V29 I74 V76 T231 I232 L233 F234 L304	A27-L263 HydrophobicContact CB-CD1 4.25Å; A27-L263 HydrophobicContact CB-CD2 3.67Å; A27-L263 HydrophobicContact CB-CG 3.98Å; V29-L263 HydrophobicContact CG1-CB 3.74Å; V29-L263 HydrophobicContact CG1-CG 4.2Å; I74-L263 HydrophobicContact CG2-CD2 3.94Å; V76-L263 HydrophobicContact CG2-CB 3.76Å; V76-L263 HydrophobicContact CG2-CD2 3.95Å; T231-L263 HydrophobicContact CG2-CD1 3.49Å; T231-L263 VanDerWaalsContact CG2-CD1 3.49Å; I232-L263 PolarHBondContact O-N 3.33Å; L233-L263 HydrophobicContact CD2-CB 4.42Å; L233-L263 HydrophobicContact CD2-CD2 3.94Å; F234-L263 PolarHBondContact N-O 2.87Å; L263-L304 HydrophobicContact CD1-CD1 3.77Å
264	A	98.9	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.7	-179.4	0	0	0	0	0	111.1	F234 H251 F262 S277 G278 Y280	F234-A264 HydrophobicContact CD1-CB 4.06Å; F234-A264 WeakPolarHBondContact O-CA 3.19Å; H251-A264 HydrophobicContact CB-CB 4.47Å; F262-A264 HydrophobicContact CD1-CB 4.03Å; F262-A264 HydrophobicContact CE1-CB 3.86Å; A264-S277 WeakPolarHBondContact O-CA 3.47Å; A264-S277 WeakPolarHBondContact O-CB 3.32Å; A264-G278 PolarHBondContact N-O 2.65Å; A264-G278 PolarHBondContact O-N 2.6Å; A264-Y280 HydrophobicContact CB-CE2 3.7Å
265	S	98.9	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	108.8	176.4	-157.2	0	0	0	0	109.3	Y30 V76 T77 P78 F234 T236	Y30-S265 PolarHBondContact N-OG 3Å; Y30-S265 PolarHBondContact O-OG 3.28Å; V76-S265 PolarHBondContact O-OG 3.03Å; T77-S265 WeakPolarHBondContact CA-OG 3.41Å; P78-S265 VanDerWaalsContact CA-O 3.31Å; P78-S265 WeakPolarHBondContact CA-O 3.42Å; P78-S265 WeakPolarHBondContact CB-O 3.39Å; F234-S265 PolarHBondContact O-N 2.97Å; T236-S265 WeakPolarHBondContact CG2-O 3.45Å; T236-S265 PolarHBondContact N-O 3.13Å
266	N	98.9	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	157.9	-174.5	-158.1	4.8	0	0	0	112.7	E31 H32 P78 T236 A237 W238 G276 S277	E31-N266 VanDerWaalsContact CA-O 3.26Å; E31-N266 WeakPolarHBondContact CA-O 3.34Å; H32-N266 PolarHBondContact N-O 2.78Å; P78-N266 VanDerWaalsContact CG-C 3.45Å; P78-N266 WeakPolarHBondContact CG-O 3.47Å; T236-N266 HydrophobicContact CG2-CB 3.82Å; T236-N266 CarbonylContact O-C 3.59Å; T236-N266 VanDerWaalsContact O-CA 3.26Å; T236-N266 WeakPolarHBondContact O-CA 3.47Å; T236-N266 PolarHBondContact O-OD1 3.33Å; T236-N266 VanDerWaalsContact O-OD1 3.08Å; A237-N266 WeakPolarHBondContact CA-OD1 2.99Å; W238-N266 PolarHBondContact N-OD1 2.84Å; W238-N266 PolarHBondContact O-ND2 3.48Å; N266-G276 WeakPolarHBondContact CB-O 3.32Å; N266-S277 WeakPolarHBondContact CB-OG 3.28Å; N266-S277 PolarHBondContact N-OG 2.55Å
267	I	98.9	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-66.9	144.2	164.7	-70.7	-65.1	0	0	0	110.2	V34 P78 E79 W85 T236 A237 M274	V34-I267 HydrophobicContact CB-CD1 4.06Å; V34-I267 HydrophobicContact CG1-CD1 4.02Å; V34-I267 HydrophobicContact CG1-CG2 4.3Å; P78-I267 HydrophobicContact CB-CD1 3.8Å; P78-I267 HydrophobicContact CB-CG1 4.01Å; P78-I267 HydrophobicContact CG-CD1 4.4Å; E79-I267 WeakPolarHBondContact O-CD1 3.29Å; E79-I267 WeakPolarHBondContact O-CG1 3.48Å; W85-I267 HydrophobicContact CH2-CG2 3.63Å; W85-I267 HydrophobicContact CZ3-CB 4.31Å; W85-I267 HydrophobicContact CZ3-CD1 4.16Å; W85-I267 HydrophobicContact CZ3-CG1 3.93Å; W85-I267 HydrophobicContact CZ3-CG2 3.6Å; T236-I267 PolarHBondContact O-N 3.39Å; A237-I267 HydrophobicContact CB-CB 4.34Å; A237-I267 HydrophobicContact CB-CG1 3.73Å; I267-M274 HydrophobicContact CB-CB 4.37Å; I267-M274 HydrophobicContact CB-SD 4.34Å; I267-M274 HydrophobicContact CG2-CB 4.08Å; I267-M274 HydrophobicContact CG2-SD 3.9Å; I267-M274 CarbonylContact O-C 3.45Å; I267-M274 VanDerWaalsContact O-C 3.27Å
268	H	98.8	Very high	98.5	Very high	5 Å²	5	20.4 Å²	20.4	2%	0.023	11%	0.105	C	C	.	.			trans	-101	97.7	166.2	-163.9	75.6	0	0	0	110.1	E31 H32 A33 D291 T294 E295 E296	E31-H268 HydrophobicContact CG-CB 3.67Å; E31-H268 IonicContact OE1-CE1 3.04Å; E31-H268 IonicContact OE1-CG 2.69Å; E31-H268 IonicContact OE1-ND1 3.67Å; E31-H268 PolarHBondContact OE1-ND1 2.77Å; H32-H268 PolarHBondContact O-N 3.28Å; A33-H268 HydrophobicContact CB-CB 4.24Å; H268-D291 PolarHBondContact CE1-O 2.75Å; H268-T294 PolarHBondContact NE2-O 3.04Å; H268-E295 VanDerWaalsContact CD2-C 3.5Å; H268-E296 PolarHBondContact CD2-O 3.32Å
269	Y	98.6	Very high	98.6	Very high	77 Å²	77	19.8 Å²	19.8	30%	0.302	10%	0.102	S	C	.	.	B	Isolated β-bridge	trans	-149.1	79.2	177.2	-161.8	-111.3	0	0	0	110.3	L36 W85 S271 K272 M274	L36-Y269 HydrophobicContact CD1-CE1 4.45Å; L36-Y269 HydrophobicContact CD1-CE2 3.79Å; W85-Y269 HydrophobicContact CH2-CD1 4.05Å; W85-Y269 HydrophobicContact CH2-CD2 4.42Å; W85-Y269 AromaticContact CH2-CG 3.9Å; W85-Y269 HydrophobicContact CH2-CG 3.9Å; W85-Y269 AromaticContact CZ2-CD1 3.58Å; W85-Y269 HydrophobicContact CZ2-CD1 3.58Å; W85-Y269 HydrophobicContact CZ2-CD2 4.5Å; W85-Y269 AromaticContact CZ2-CE1 3.9Å; W85-Y269 HydrophobicContact CZ2-CE1 3.9Å; W85-Y269 AromaticContact CZ2-CG 3.91Å; W85-Y269 HydrophobicContact CZ2-CG 3.91Å; Y269-S271 WeakPolarHBondContact CD1-OG 3.5Å; Y269-S271 WeakPolarHBondContact CE1-OG 3.41Å; Y269-S271 VanDerWaalsContact CZ-OG 3.25Å; Y269-S271 PolarHBondContact O-N 3.34Å; Y269-K272 HydrophobicContact CD1-CB 3.92Å; Y269-K272 HydrophobicContact CD1-CD 3.94Å; Y269-K272 HydrophobicContact CD1-CG 3.87Å; Y269-K272 HydrophobicContact CE1-CB 4.44Å; Y269-K272 HydrophobicContact CE1-CD 3.89Å; Y269-K272 HydrophobicContact CE1-CG 3.89Å; Y269-K272 PolarHBondContact O-N 2.91Å; Y269-M274 CarbonylContact C-O 3.57Å; Y269-M274 PolarHBondContact N-O 2.74Å; Y269-M274 PolarHBondContact O-N 2.69Å
270	P	98.2	Very high	98.6	Very high	27 Å²	27	18 Å²	18	18%	0.175	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-55.2	-29.8	-173.6	-29.4	35.5	0	0	0	114.5	K272 N273 M292 T294	P270-K272 PolarHBondContact O-N 3.07Å; P270-K272 VanDerWaalsContact O-N 3.11Å; P270-N273 PolarHBondContact O-N 3.21Å; P270-M292 HydrophobicContact CB-CE 4.18Å; P270-M292 HydrophobicContact CB-SD 4.14Å; P270-M292 VanDerWaalsContact O-CE 3.27Å; P270-M292 WeakPolarHBondContact O-CE 3.43Å; P270-T294 WeakPolarHBondContact CG-O 3.45Å
271	S	97.7	Very high	98.6	Very high	91 Å²	91	18.2 Å²	18.2	64%	0.636	10%	0.097	S	C	*	.	G	3₁₀ helix	trans	-64.5	-16.3	179.5	72.5	0	0	0	0	114.4	Y269	Y269-S271 WeakPolarHBondContact CD1-OG 3.5Å; Y269-S271 WeakPolarHBondContact CE1-OG 3.41Å; Y269-S271 VanDerWaalsContact CZ-OG 3.25Å; Y269-S271 PolarHBondContact O-N 3.34Å
272	K	97.8	Very high	98.5	Very high	87 Å²	87	19.2 Å²	19.2	38%	0.378	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-115.6	21.7	170.3	-70.1	178.7	158.6	-85.6	0	112.8	W85 M239 Y269 P270 M274	W85-K272 HydrophobicContact CZ2-CD 4.21Å; M239-K272 WeakPolarHBondContact CG-O 3.16Å; Y269-K272 HydrophobicContact CD1-CB 3.92Å; Y269-K272 HydrophobicContact CD1-CD 3.94Å; Y269-K272 HydrophobicContact CD1-CG 3.87Å; Y269-K272 HydrophobicContact CE1-CB 4.44Å; Y269-K272 HydrophobicContact CE1-CD 3.89Å; Y269-K272 HydrophobicContact CE1-CG 3.89Å; Y269-K272 PolarHBondContact O-N 2.91Å; P270-K272 PolarHBondContact O-N 3.07Å; P270-K272 VanDerWaalsContact O-N 3.11Å; K272-M274 HydrophobicContact CB-CE 4.38Å; K272-M274 HydrophobicContact CB-CG 4.23Å; K272-M274 HydrophobicContact CB-SD 4.25Å; K272-M274 HydrophobicContact CD-CE 4.45Å; K272-M274 PolarHBondContact O-N 3.25Å
273	N	98.1	Very high	98.2	Very high	81 Å²	81	23 Å²	23	43%	0.433	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	32.1	-175.6	-58.5	-16.4	0	0	0	113.4	N240 P270 M292	N240-N273 HydrophobicContact CB-CB 4.26Å; N240-N273 WeakPolarHBondContact CB-O 3.22Å; N240-N273 PolarHBondContact N-O 2.85Å; N240-N273 PolarHBondContact ND2-O 3.45Å; P270-N273 PolarHBondContact O-N 3.21Å; N273-M292 HydrophobicContact CB-CE 4.47Å; N273-M292 WeakPolarHBondContact OD1-CE 3.44Å
274	M	98.8	Very high	98.1	Very high	8 Å²	8	23.7 Å²	23.7	4%	0.039	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-96.6	104.6	176.3	-63.4	172.1	170.2	0	0	109.4	W85 A237 W238 M239 I267 Y269 K272	W85-M274 HydrophobicContact CH2-SD 3.93Å; W85-M274 HydrophobicContact CZ2-SD 4.09Å; W85-M274 HydrophobicContact CZ3-SD 4.2Å; A237-M274 HydrophobicContact CB-CE 4.46Å; W238-M274 WeakPolarHBondContact O-CA 3.18Å; W238-M274 WeakPolarHBondContact O-CG 3.32Å; M239-M274 HydrophobicContact CG-CE 3.43Å; M239-M274 VanDerWaalsContact CG-CE 3.43Å; M239-M274 HydrophobicContact CG-CG 3.94Å; M239-M274 HydrophobicContact SD-CE 4.02Å; I267-M274 HydrophobicContact CB-CB 4.37Å; I267-M274 HydrophobicContact CB-SD 4.34Å; I267-M274 HydrophobicContact CG2-CB 4.08Å; I267-M274 HydrophobicContact CG2-SD 3.9Å; I267-M274 CarbonylContact O-C 3.45Å; I267-M274 VanDerWaalsContact O-C 3.27Å; Y269-M274 CarbonylContact C-O 3.57Å; Y269-M274 PolarHBondContact N-O 2.74Å; Y269-M274 PolarHBondContact O-N 2.69Å; K272-M274 HydrophobicContact CB-CE 4.38Å; K272-M274 HydrophobicContact CB-CG 4.23Å; K272-M274 HydrophobicContact CB-SD 4.25Å; K272-M274 HydrophobicContact CD-CE 4.45Å; K272-M274 PolarHBondContact O-N 3.25Å
275	T	98.8	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.			trans	-166.3	148.7	168.1	175.1	0	0	0	0	106	E31 N240 Y290 D291 M292	E31-T275 WeakPolarHBondContact OE1-CB 3.12Å; E31-T275 PolarHBondContact OE1-OG1 2.86Å; N240-T275 PolarHBondContact ND2-O 3.02Å; N240-T275 PolarHBondContact OD1-O 3.02Å; T275-Y290 HydrophobicContact CG2-CD2 3.76Å; T275-Y290 HydrophobicContact CG2-CE2 3.7Å; T275-Y290 HydrophobicContact CG2-CG 4.24Å; T275-D291 WeakPolarHBondContact CB-O 3.49Å; T275-D291 WeakPolarHBondContact CG2-O 3.34Å; T275-D291 PolarHBondContact OG1-N 3.41Å; T275-D291 PolarHBondContact OG1-O 2.88Å; T275-M292 HydrophobicContact CG2-CG 3.92Å; T275-M292 HydrophobicContact CG2-SD 3.54Å; T275-M292 VanDerWaalsContact CG2-SD 3.54Å
276	G	98.7	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.			trans	133.7	76.9	178.7	0	0	0	0	0	112.2	E31 A247 V248 N266 H289	E31-G276 PolarHBondContact OE2-N 3.38Å; A247-G276 WeakPolarHBondContact CB-O 3.44Å; V248-G276 VanDerWaalsContact CG1-CA 3.5Å; N266-G276 WeakPolarHBondContact CB-O 3.32Å; G276-H289 VanDerWaalsContact CA-O 3.23Å; G276-H289 WeakPolarHBondContact CA-O 3.38Å
277	S	98.9	Very high	98	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	157.6	175.2	-56.7	0	0	0	0	110.5	E31 A264 N266 F288 H289	E31-S277 VanDerWaalsContact CB-OG 3.28Å; E31-S277 WeakPolarHBondContact CB-OG 3.4Å; E31-S277 VanDerWaalsContact OE2-CB 3.32Å; E31-S277 WeakPolarHBondContact OE2-CB 3.02Å; E31-S277 PolarHBondContact OE2-N 2.74Å; E31-S277 PolarHBondContact OE2-OG 3.31Å; A264-S277 WeakPolarHBondContact O-CA 3.47Å; A264-S277 WeakPolarHBondContact O-CB 3.32Å; N266-S277 WeakPolarHBondContact CB-OG 3.28Å; N266-S277 PolarHBondContact N-OG 2.55Å; S277-F288 CarbonylContact O-C 3.6Å; S277-F288 VanDerWaalsContact O-CA 3.32Å; S277-F288 WeakPolarHBondContact O-CA 3.49Å; S277-H289 PolarHBondContact N-O 3.23Å; S277-H289 PolarHBondContact O-N 3.21Å
278	G	98.9	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	172.2	177.6	0	0	0	0	0	115.8	A264 Y280 A287	A264-G278 PolarHBondContact N-O 2.65Å; A264-G278 PolarHBondContact O-N 2.6Å; G278-Y280 WeakPolarHBondContact CA-OH 3.34Å; G278-Y280 PolarHBondContact N-OH 3.44Å; G278-A287 CarbonylContact C-O 3.58Å; G278-A287 WeakPolarHBondContact CA-O 3.44Å
279	I	98.9	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.5	178.7	-57.3	171.3	0	0	0	106.3	A27 V29 R286 A287 L300 L304	A27-I279 HydrophobicContact CB-CD1 4.21Å; A27-I279 HydrophobicContact CB-CG2 4.18Å; A27-I279 WeakPolarHBondContact O-CD1 3.29Å; V29-I279 HydrophobicContact CG1-CG1 4.04Å; V29-I279 HydrophobicContact CG2-CD1 4.42Å; V29-I279 HydrophobicContact CG2-CG1 3.92Å; I279-R286 WeakPolarHBondContact O-CB 3.5Å; I279-R286 PolarHBondContact O-N 3.09Å; I279-A287 PolarHBondContact N-O 2.94Å; I279-A287 PolarHBondContact O-N 3.16Å; I279-L300 HydrophobicContact CD1-CB 4.46Å; I279-L304 HydrophobicContact CG2-CD1 3.63Å; I279-L304 HydrophobicContact CG2-CD2 4.04Å; I279-L304 HydrophobicContact CG2-CG 3.96Å
280	Y	98.9	Very high	98	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.7	-173	-39.9	-55.2	0	0	0	110.1	H251 N261 F262 A264 G278 F288 L447	H251-Y280 HydrophobicContact CB-CD2 4.27Å; H251-Y280 HydrophobicContact CB-CE2 3.58Å; N261-Y280 CarbonylContact C-O 3.47Å; N261-Y280 VanDerWaalsContact CA-O 3.31Å; N261-Y280 WeakPolarHBondContact CA-O 3.25Å; F262-Y280 HydrophobicContact CB-CD2 4.07Å; F262-Y280 AromaticContact CD1-CD2 3.74Å; F262-Y280 HydrophobicContact CD1-CD2 3.74Å; F262-Y280 HydrophobicContact CD1-CE2 4.06Å; F262-Y280 HydrophobicContact CG-CD2 4.28Å; F262-Y280 PolarHBondContact N-O 3.3Å; F262-Y280 PolarHBondContact O-N 2.97Å; A264-Y280 HydrophobicContact CB-CE2 3.7Å; G278-Y280 WeakPolarHBondContact CA-OH 3.34Å; G278-Y280 PolarHBondContact N-OH 3.44Å; Y280-F288 HydrophobicContact CE1-CB 4.28Å; Y280-L447 HydrophobicContact CE1-CD1 4.28Å
281	A	98.2	Very high	98	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.033	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	162.6	171.7	0	0	0	0	0	109.3	S283 S284 R286 L304	A281-S283 PolarHBondContact O-N 3.2Å; A281-S284 PolarHBondContact N-O 3.19Å; A281-S284 CarbonylContact O-C 3.47Å; A281-S284 PolarHBondContact O-N 3.2Å; A281-S284 VanDerWaalsContact O-N 3.08Å; A281-S284 VanDerWaalsContact O-O 3.12Å; A281-R286 HydrophobicContact CB-CG 3.97Å; A281-L304 HydrophobicContact CB-CD2 3.96Å
282	P	96.2	Very high	98	Very high	23 Å²	23	31.5 Å²	31.5	15%	0.149	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.2	-177.5	-31.8	39.2	0	0	0	114.7	M256 R259 P308	M256-P282 WeakPolarHBondContact CG-O 3.44Å; R259-P282 VanDerWaalsContact C-CG 3.5Å; R259-P282 HydrophobicContact CB-CB 4.27Å; P282-P308 HydrophobicContact CG-CB 3.89Å; P282-P308 HydrophobicContact CG-CG 4.21Å
283	S	92.8	Very high	98	Very high	78 Å²	78	35.8 Å²	35.8	55%	0.545	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-30.3	-178.9	59.8	0	0	0	0	113.8	M256 A281	M256-S283 WeakPolarHBondContact CE-O 3.46Å; A281-S283 PolarHBondContact O-N 3.2Å
284	S	96.5	Very high	98	Very high	16 Å²	16	34.8 Å²	34.8	11%	0.112	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	160.6	-174.1	-143	0	0	0	0	112.5	A281 P449 G450	A281-S284 PolarHBondContact N-O 3.19Å; A281-S284 CarbonylContact O-C 3.47Å; A281-S284 PolarHBondContact O-N 3.2Å; A281-S284 VanDerWaalsContact O-N 3.08Å; A281-S284 VanDerWaalsContact O-O 3.12Å; S284-P449 VanDerWaalsContact OG-CA 3.26Å; S284-P449 WeakPolarHBondContact OG-CA 3.47Å; S284-G450 PolarHBondContact OG-N 3.24Å; S284-G450 VanDerWaalsContact OG-N 3.11Å
285	S	97.9	Very high	97.8	Very high	16 Å²	16	42.3 Å²	42.3	11%	0.112	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	137.8	165.2	-179	0	0	0	0	110.9
286	R	98.5	Very high	97.7	Very high	122 Å²	122	48.8 Å²	48.8	46%	0.46	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-35.6	178.3	-58.1	-59.7	-170.4	170.2	1.1	112.5	I279 A281 S302 L304	I279-R286 WeakPolarHBondContact O-CB 3.5Å; I279-R286 PolarHBondContact O-N 3.09Å; A281-R286 HydrophobicContact CB-CG 3.97Å; R286-S302 WeakPolarHBondContact CB-OG 3.25Å; R286-L304 HydrophobicContact CG-CD2 3.84Å
287	A	98.7	Very high	97.6	Very high	19 Å²	19	50 Å²	50	16%	0.157	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	141.6	171.9	0	0	0	0	0	108.1	G278 I279 L300	G278-A287 CarbonylContact C-O 3.58Å; G278-A287 WeakPolarHBondContact CA-O 3.44Å; I279-A287 PolarHBondContact N-O 2.94Å; I279-A287 PolarHBondContact O-N 3.16Å; A287-L300 HydrophobicContact CB-CB 4.42Å
288	F	98.8	Very high	97.6	Very high	48 Å²	48	56.1 Å²	56.1	21%	0.211	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	158.9	171	71.5	-82.9	0	0	0	109.4	V248 S277 Y280 L447	V248-F288 HydrophobicContact CG1-CB 4.26Å; V248-F288 HydrophobicContact CG1-CD2 4.36Å; S277-F288 CarbonylContact O-C 3.6Å; S277-F288 VanDerWaalsContact O-CA 3.32Å; S277-F288 WeakPolarHBondContact O-CA 3.49Å; Y280-F288 HydrophobicContact CE1-CB 4.28Å; F288-L447 HydrophobicContact CB-CD1 3.97Å; F288-L447 HydrophobicContact CD1-CB 4.05Å; F288-L447 HydrophobicContact CD1-CD1 3.91Å; F288-L447 HydrophobicContact CD1-CG 4.17Å; F288-L447 HydrophobicContact CD2-CD1 4.3Å; F288-L447 HydrophobicContact CD2-CG 4.13Å; F288-L447 HydrophobicContact CE1-CB 3.8Å; F288-L447 HydrophobicContact CE1-CG 4.32Å; F288-L447 HydrophobicContact CE2-CB 4.36Å; F288-L447 HydrophobicContact CE2-CG 4.28Å; F288-L447 HydrophobicContact CG-CB 4.44Å; F288-L447 HydrophobicContact CG-CD1 3.79Å; F288-L447 HydrophobicContact CG-CG 4.08Å; F288-L447 HydrophobicContact CZ-CB 3.97Å; F288-L447 HydrophobicContact CZ-CG 4.38Å
289	H	98.8	Very high	97.6	Very high	35 Å²	35	57.8 Å²	57.8	16%	0.162	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.1	174.3	-179.1	63.1	0	0	0	109.3	E31 V248 G276 S277 R298 L300	E31-H289 IonicContact OE1-CD2 2.74Å; E31-H289 PolarHBondContact OE1-CD2 2.95Å; E31-H289 IonicContact OE1-NE2 3.65Å; V248-H289 WeakPolarHBondContact CG1-O 3.28Å; G276-H289 VanDerWaalsContact CA-O 3.23Å; G276-H289 WeakPolarHBondContact CA-O 3.38Å; S277-H289 PolarHBondContact N-O 3.23Å; S277-H289 PolarHBondContact O-N 3.21Å; H289-R298 HydrophobicContact CB-CG 4.09Å; H289-R298 VanDerWaalsContact CD2-CB 3.46Å; H289-R298 WeakPolarHBondContact CD2-CB 3.46Å; H289-L300 HydrophobicContact CB-CD1 3.86Å; H289-L300 HydrophobicContact CB-CD2 4.23Å; H289-L300 HydrophobicContact CB-CG 4.42Å
290	Y	98.6	Very high	97.6	Very high	42 Å²	42	58.5 Å²	58.5	17%	0.165	29%	0.289	C	S	.	.			trans	-144.6	125.4	172.1	178.4	-84.6	0	0	0	107	T275 M292 N445	T275-Y290 HydrophobicContact CG2-CD2 3.76Å; T275-Y290 HydrophobicContact CG2-CE2 3.7Å; T275-Y290 HydrophobicContact CG2-CG 4.24Å; Y290-M292 HydrophobicContact CE1-CB 4.42Å; Y290-M292 HydrophobicContact CE1-CG 3.65Å; Y290-M292 HydrophobicContact CE2-CG 4.45Å; Y290-M292 VanDerWaalsContact OH-CG 3.24Å; Y290-M292 WeakPolarHBondContact OH-CG 3.36Å; Y290-N445 HydrophobicContact CD1-CB 3.73Å; Y290-N445 HydrophobicContact CD2-CB 3.69Å; Y290-N445 HydrophobicContact CE1-CB 3.7Å; Y290-N445 HydrophobicContact CE2-CB 3.63Å; Y290-N445 HydrophobicContact CG-CB 3.73Å; Y290-N445 VanDerWaalsContact CZ-CG 3.46Å; Y290-N445 PolarHBondContact OH-ND2 2.04Å
291	D	98.3	Very high	97.6	Very high	25 Å²	25	60.6 Å²	60.6	13%	0.134	30%	0.3	C	S	.	.			trans	-150.6	114.3	178.6	-176	15.9	0	0	0	111.7	H268 T275 K293 T294	H268-D291 PolarHBondContact CE1-O 2.75Å; T275-D291 WeakPolarHBondContact CB-O 3.49Å; T275-D291 WeakPolarHBondContact CG2-O 3.34Å; T275-D291 PolarHBondContact OG1-N 3.41Å; T275-D291 PolarHBondContact OG1-O 2.88Å; D291-K293 WeakPolarHBondContact OD1-CA 3.34Å; D291-K293 WeakPolarHBondContact OD1-CB 3.34Å; D291-K293 PolarHBondContact OD1-N 2.85Å; D291-T294 PolarHBondContact OD1-N 3.03Å; D291-T294 VanDerWaalsContact OD2-CB 3.29Å; D291-T294 WeakPolarHBondContact OD2-CB 3.25Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.46Å; D291-T294 PolarHBondContact OD2-N 3.3Å; D291-T294 PolarHBondContact OD2-OG1 3.15Å
292	M	97.9	Very high	97.6	Very high	56 Å²	56	61.7 Å²	61.7	28%	0.276	31%	0.308	S	S	.	.	S	Bend	trans	-102.5	2.9	174	-70.4	-66.9	-66.5	0	0	112.5	P270 N273 T275 Y290	P270-M292 HydrophobicContact CB-CE 4.18Å; P270-M292 HydrophobicContact CB-SD 4.14Å; P270-M292 VanDerWaalsContact O-CE 3.27Å; P270-M292 WeakPolarHBondContact O-CE 3.43Å; N273-M292 HydrophobicContact CB-CE 4.47Å; N273-M292 WeakPolarHBondContact OD1-CE 3.44Å; T275-M292 HydrophobicContact CG2-CG 3.92Å; T275-M292 HydrophobicContact CG2-SD 3.54Å; T275-M292 VanDerWaalsContact CG2-SD 3.54Å; Y290-M292 HydrophobicContact CE1-CB 4.42Å; Y290-M292 HydrophobicContact CE1-CG 3.65Å; Y290-M292 HydrophobicContact CE2-CG 4.45Å; Y290-M292 VanDerWaalsContact OH-CG 3.24Å; Y290-M292 WeakPolarHBondContact OH-CG 3.36Å
293	K	96.9	Very high	97.7	Very high	178 Å²	178	66.4 Å²	66.4	77%	0.774	33%	0.327	S	S	*	.	S	Bend	trans	-105.2	-30.9	-168.9	-61.8	175	-177.5	167.6	0	112.9	D291	D291-K293 WeakPolarHBondContact OD1-CA 3.34Å; D291-K293 WeakPolarHBondContact OD1-CB 3.34Å; D291-K293 PolarHBondContact OD1-N 2.85Å
294	T	97.4	Very high	98	Very high	60 Å²	60	62.9 Å²	62.9	37%	0.368	30%	0.302	S	S	.	.			trans	-110.7	179.1	179.5	84	0	0	0	0	111.7	H268 P270 D291 E296	H268-T294 PolarHBondContact NE2-O 3.04Å; P270-T294 WeakPolarHBondContact CG-O 3.45Å; D291-T294 PolarHBondContact OD1-N 3.03Å; D291-T294 VanDerWaalsContact OD2-CB 3.29Å; D291-T294 WeakPolarHBondContact OD2-CB 3.25Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.46Å; D291-T294 PolarHBondContact OD2-N 3.3Å; D291-T294 PolarHBondContact OD2-OG1 3.15Å; T294-E296 PolarHBondContact OG1-N 2.96Å
295	E	95.6	Very high	98.1	Very high	165 Å²	165	66.8 Å²	66.8	77%	0.771	32%	0.319	S	S	*	.			trans	-116.9	21.5	174.4	-61.5	-176.3	168.3	0	0	110.6	A33 H268	A33-E295 VanDerWaalsContact CB-O 3.28Å; A33-E295 WeakPolarHBondContact CB-O 3.31Å; H268-E295 VanDerWaalsContact CD2-C 3.5Å
296	E	95.6	Very high	98.1	Very high	137 Å²	137	66 Å²	66	64%	0.64	31%	0.314	S	S	*	.			trans	-93	137.5	-170.6	-63.6	-66.8	155.2	0	0	111.9	H268 T294	H268-E296 PolarHBondContact CD2-O 3.32Å; T294-E296 PolarHBondContact OG1-N 2.96Å
297	G	97.4	Very high	98	Very high	24 Å²	24	65 Å²	65	25%	0.247	31%	0.314	C	S	.	.			trans	-69.5	158.5	169	0	0	0	0	0	112.3	E31	E31-G297 CarbonylContact O-C 3.58Å; E31-G297 WeakPolarHBondContact O-CA 3.44Å
298	R	98.8	Very high	97.7	Very high	130 Å²	130	64.4 Å²	64.4	49%	0.491	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	120.3	-178	-173.8	69.2	179.9	-173.9	-0.7	112.9	Y30 E31 H289 L300	Y30-R298 WeakPolarHBondContact CA-O 3.33Å; E31-R298 HydrophobicContact CB-CB 4.09Å; E31-R298 PolarHBondContact N-O 2.83Å; E31-R298 PolarHBondContact O-N 2.98Å; H289-R298 HydrophobicContact CB-CG 4.09Å; H289-R298 VanDerWaalsContact CD2-CB 3.46Å; H289-R298 WeakPolarHBondContact CD2-CB 3.46Å; R298-L300 HydrophobicContact CG-CD2 3.87Å; R298-L300 HydrophobicContact CG-CG 4.26Å
299	L	98.9	Very high	96.9	Very high	34 Å²	34	66.7 Å²	66.7	18%	0.178	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	129.7	167	-177.3	63.7	0	0	0	110.5	A28 Y30 A67 I75 L301	A28-L299 HydrophobicContact CB-CD1 4.25Å; Y30-L299 HydrophobicContact CD2-CB 3.95Å; Y30-L299 HydrophobicContact CD2-CD1 4.38Å; Y30-L299 HydrophobicContact CE2-CB 4.44Å; A67-L299 HydrophobicContact CB-CD1 4.19Å; A67-L299 HydrophobicContact CB-CD2 4.24Å; I75-L299 HydrophobicContact CD1-CD1 4Å; L299-L301 HydrophobicContact CD1-CD1 4.45Å; L299-L301 HydrophobicContact CD2-CD1 3.85Å; L299-L301 HydrophobicContact CG-CD1 3.75Å
300	L	98.9	Very high	95.5	Very high	15 Å²	15	69.7 Å²	69.7	8%	0.079	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	140.6	172.2	-57.8	176.6	0	0	0	109.4	A28 V29 I279 A287 H289 R298	A28-L300 VanDerWaalsContact CA-O 3.23Å; A28-L300 WeakPolarHBondContact CA-O 3.46Å; V29-L300 HydrophobicContact CG2-CB 3.87Å; V29-L300 HydrophobicContact CG2-CD1 4.06Å; V29-L300 HydrophobicContact CG2-CG 4.37Å; V29-L300 PolarHBondContact N-O 2.99Å; V29-L300 PolarHBondContact O-N 3.05Å; I279-L300 HydrophobicContact CD1-CB 4.46Å; A287-L300 HydrophobicContact CB-CB 4.42Å; H289-L300 HydrophobicContact CB-CD1 3.86Å; H289-L300 HydrophobicContact CB-CD2 4.23Å; H289-L300 HydrophobicContact CB-CG 4.42Å; R298-L300 HydrophobicContact CG-CD2 3.87Å; R298-L300 HydrophobicContact CG-CG 4.26Å
301	L	98.8	Very high	93.9	Very high	46 Å²	46	71.4 Å²	71.4	24%	0.241	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.2	172.6	-64.7	94.2	0	0	0	110.1	T26 A27 A28 Q70 A72 L299	T26-L301 HydrophobicContact CG2-CB 4.46Å; T26-L301 HydrophobicContact CG2-CD2 4.17Å; A27-L301 VanDerWaalsContact O-CA 3.29Å; A27-L301 WeakPolarHBondContact O-CA 3.31Å; A28-L301 HydrophobicContact CB-CG 4.13Å; Q70-L301 HydrophobicContact CB-CD2 3.64Å; A72-L301 HydrophobicContact CB-CD2 4.09Å; L299-L301 HydrophobicContact CD1-CD1 4.45Å; L299-L301 HydrophobicContact CD2-CD1 3.85Å; L299-L301 HydrophobicContact CG-CD1 3.75Å
302	S	98.8	Very high	92.9	Very high	27 Å²	27	75.2 Å²	75.2	19%	0.189	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	153.1	169.4	-157	0	0	0	0	111.6	A27 R286	A27-S302 PolarHBondContact N-O 3.49Å; A27-S302 PolarHBondContact O-N 2.82Å; R286-S302 WeakPolarHBondContact CB-OG 3.25Å
303	Q	98.6	Very high	92.4	Very high	121 Å²	121	77.8 Å²	77.8	57%	0.565	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	137.9	172.3	-172.7	176	59.9	0	0	110.1	T24 F25	T24-Q303 HydrophobicContact CG2-CG 4.49Å; T24-Q303 PolarHBondContact OG1-NE2 2.88Å; T24-Q303 VanDerWaalsContact OG1-NE2 3.16Å; F25-Q303 CarbonylContact O-C 3.52Å; F25-Q303 WeakPolarHBondContact O-CA 3.49Å
304	L	98.5	Very high	92.4	Very high	4 Å²	4	70 Å²	70	2%	0.021	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	154.1	176.6	-68.4	176	0	0	0	110.6	T24 F25 A27 N261 L263 I279 A281 R286	T24-L304 CarbonylContact C-O 3.51Å; T24-L304 WeakPolarHBondContact CA-O 3.3Å; T24-L304 WeakPolarHBondContact CB-O 3.22Å; F25-L304 HydrophobicContact CD1-CB 4.29Å; F25-L304 HydrophobicContact CE1-CB 3.76Å; F25-L304 HydrophobicContact CE1-CD1 4.48Å; F25-L304 HydrophobicContact CE2-CD1 4.47Å; F25-L304 HydrophobicContact CZ-CB 3.99Å; F25-L304 HydrophobicContact CZ-CD1 3.91Å; F25-L304 PolarHBondContact N-O 2.92Å; F25-L304 PolarHBondContact O-N 2.91Å; A27-L304 HydrophobicContact CB-CD1 3.91Å; A27-L304 HydrophobicContact CB-CG 4.49Å; N261-L304 HydrophobicContact CB-CD1 3.95Å; L263-L304 HydrophobicContact CD1-CD1 3.77Å; I279-L304 HydrophobicContact CG2-CD1 3.63Å; I279-L304 HydrophobicContact CG2-CD2 4.04Å; I279-L304 HydrophobicContact CG2-CG 3.96Å; A281-L304 HydrophobicContact CB-CD2 3.96Å; R286-L304 HydrophobicContact CG-CD2 3.84Å
305	E	97.9	Very high	92.4	Very high	99 Å²	99	70.2 Å²	70.2	46%	0.463	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.1	167	-66.5	179.5	177.7	0	0	108.9	N261 H307 P308	N261-E305 PolarHBondContact ND2-O 2.91Å; E305-H307 VanDerWaalsContact C-N 3.28Å; E305-H307 PolarHBondContact O-N 3Å; E305-P308 HydrophobicContact CB-CB 4.47Å
306	S	97.9	Very high	92.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	-66.3	-33.3	179	-73	0	0	0	0	112.8	Q22 D23 F203 D230	Q22-S306 WeakPolarHBondContact O-CB 3.23Å; Q22-S306 PolarHBondContact O-OG 3.46Å; D23-S306 PolarHBondContact O-N 3.23Å; F203-S306 VanDerWaalsContact C-CB 3.42Å; F203-S306 VanDerWaalsContact CA-OG 3.28Å; F203-S306 WeakPolarHBondContact CA-OG 3.41Å; F203-S306 VanDerWaalsContact CB-OG 3.31Å; F203-S306 WeakPolarHBondContact CB-OG 3.35Å; F203-S306 VanDerWaalsContact O-CA 3.3Å; F203-S306 WeakPolarHBondContact O-CA 3.36Å; F203-S306 WeakPolarHBondContact O-CB 3.32Å; F203-S306 PolarHBondContact O-OG 3.06Å; D230-S306 VanDerWaalsContact CB-O 3.26Å; D230-S306 WeakPolarHBondContact CB-O 3.41Å
307	H	96.6	Very high	92.6	Very high	100 Å²	100	58 Å²	58	46%	0.463	32%	0.316	S	S	.	.	S	Bend	trans	-130.5	78.8	177.6	-62	-64.3	0	0	0	109	D230 E305 S309	D230-H307 WeakPolarHBondContact OD1-CA 3.45Å; D230-H307 IonicContact OD1-CG 3.65Å; D230-H307 IonicContact OD1-ND1 3.77Å; D230-H307 PolarHBondContact OD1-ND1 2.96Å; D230-H307 IonicContact OD2-CE1 3.39Å; D230-H307 PolarHBondContact OD2-CE1 3.18Å; D230-H307 VanDerWaalsContact OD2-CE1 3.27Å; D230-H307 IonicContact OD2-ND1 2.94Å; D230-H307 PolarHBondContact OD2-ND1 2.84Å; E305-H307 VanDerWaalsContact C-N 3.28Å; E305-H307 PolarHBondContact O-N 3Å; H307-S309 PolarHBondContact O-N 2.79Å
308	P	93.6	Very high	92.6	Very high	6 Å²	6	59.5 Å²	59.5	4%	0.039	32%	0.323	C	S	.	.			trans	-63.3	134.4	-175.3	27.8	-33.8	0	0	0	110.3	P282 E305 H310	P282-P308 HydrophobicContact CG-CB 3.89Å; P282-P308 HydrophobicContact CG-CG 4.21Å; E305-P308 HydrophobicContact CB-CB 4.47Å; P308-H310 PolarHBondContact O-N 2.98Å; P308-H310 VanDerWaalsContact O-N 3.14Å
309	S	81.3	Confident	92.6	Very high	97 Å²	97	56.1 Å²	56.1	68%	0.678	31%	0.31	S	S	*	.			trans	-63.5	118.4	-178.1	-177.1	0	0	0	0	111.3	H307 S311	H307-S309 PolarHBondContact O-N 2.79Å; S309-S311 PolarHBondContact O-N 2.99Å
310	H	69.6	Low	92.5	Very high	97 Å²	97	54.7 Å²	54.7	45%	0.449	30%	0.303	S	S	.	.			trans	-72.1	100.6	169	-57	-67.6	0	0	0	108.6	R259 P308	R259-H310 PolarHBondContact O-CE1 3.04Å; R259-H310 PolarHBondContact O-ND1 2.91Å; P308-H310 PolarHBondContact O-N 2.98Å; P308-H310 VanDerWaalsContact O-N 3.14Å
311	S	63.9	Low	92.3	Very high	78 Å²	78	57.8 Å²	57.8	55%	0.545	33%	0.326	S	S	.	.			trans	-59	175.4	173.5	63.6	0	0	0	0	112.2	R259 S309 V313	R259-S311 PolarHBondContact NH1-O 2.96Å; S309-S311 PolarHBondContact O-N 2.99Å; S311-V313 PolarHBondContact O-N 3.04Å
312	V	77.7	Confident	92.1	Very high	105 Å²	105	59.8 Å²	59.8	64%	0.636	34%	0.344	S	S	*	.	S	Bend	trans	-54.1	133.7	179.3	-179.4	0	0	0	0	111.4	R259 V314 T456	R259-V312 VanDerWaalsContact CZ-O 3.3Å; R259-V312 VanDerWaalsContact NH1-C 3.3Å; R259-V312 PolarHBondContact NH1-O 2.92Å; R259-V312 VanDerWaalsContact NH1-O 3.07Å; R259-V312 PolarHBondContact NH2-O 3.26Å; V312-V314 PolarHBondContact O-N 3.48Å; V312-T456 HydrophobicContact CB-CG2 3.8Å; V312-T456 HydrophobicContact CG1-CG2 3.79Å
313	V	88.6	Confident	91.8	Very high	111 Å²	111	61 Å²	61	67%	0.673	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-54.5	129.7	177	-177.9	0	0	0	0	110.2	R259 S311	R259-V313 VanDerWaalsContact NH1-CA 3.32Å; S311-V313 PolarHBondContact O-N 3.04Å
314	V	95.6	Very high	91.1	Very high	13 Å²	13	63.8 Å²	63.8	8%	0.079	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-84.2	128.3	178.6	170.7	0	0	0	0	108	R259 V312 W316 Q434 V454	R259-V314 VanDerWaalsContact NH2-CG2 3.27Å; V312-V314 PolarHBondContact O-N 3.48Å; V314-W316 HydrophobicContact CB-CD2 4.5Å; V314-W316 HydrophobicContact CB-CZ2 4.38Å; V314-W316 HydrophobicContact CG1-CD2 3.52Å; V314-W316 HydrophobicContact CG1-CE3 3.8Å; V314-W316 HydrophobicContact CG1-CG 3.99Å; V314-W316 HydrophobicContact CG1-CH2 4.27Å; V314-W316 HydrophobicContact CG1-CZ2 4Å; V314-W316 HydrophobicContact CG1-CZ3 4.15Å; V314-Q434 PolarHBondContact O-OE1 3.03Å; V314-V454 HydrophobicContact CG1-CG1 4.02Å; V314-V454 HydrophobicContact CG2-CG1 3.81Å
315	N	97.3	Very high	90	Very high	66 Å²	66	67.8 Å²	67.8	35%	0.353	39%	0.387	S	S	.	.			trans	-96.7	96.9	168.2	-177.9	-10.5	0	0	0	108.8	T317 S318 T456 D457 G458	N315-T317 PolarHBondContact O-N 2.82Å; N315-T317 VanDerWaalsContact O-N 3.11Å; N315-T317 WeakPolarHBondContact OD1-CG2 3.46Å; N315-T317 PolarHBondContact OD1-N 2.73Å; N315-S318 WeakPolarHBondContact O-CB 3.45Å; N315-S318 PolarHBondContact O-N 2.89Å; N315-S318 VanDerWaalsContact O-N 3.13Å; N315-T456 PolarHBondContact N-O 3.03Å; N315-D457 CarbonylContact O-C 3.5Å; N315-G458 PolarHBondContact O-N 3.49Å
316	W	98.3	Very high	88.7	Confident	11 Å²	11	65.8 Å²	65.8	4%	0.042	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.7	-170.2	-68.3	106.3	0	0	0	115.6	V314 G429 F431 Q434 V436 P438 V454 L475	V314-W316 HydrophobicContact CB-CD2 4.5Å; V314-W316 HydrophobicContact CB-CZ2 4.38Å; V314-W316 HydrophobicContact CG1-CD2 3.52Å; V314-W316 HydrophobicContact CG1-CE3 3.8Å; V314-W316 HydrophobicContact CG1-CG 3.99Å; V314-W316 HydrophobicContact CG1-CH2 4.27Å; V314-W316 HydrophobicContact CG1-CZ2 4Å; V314-W316 HydrophobicContact CG1-CZ3 4.15Å; W316-G429 VanDerWaalsContact O-O 3.05Å; W316-F431 HydrophobicContact CB-CB 4.24Å; W316-F431 HydrophobicContact CB-CD2 4.27Å; W316-Q434 PolarHBondContact NE1-O 2.93Å; W316-V436 HydrophobicContact CB-CG2 3.99Å; W316-V436 HydrophobicContact CD2-CB 3.61Å; W316-V436 HydrophobicContact CD2-CG1 4.11Å; W316-V436 HydrophobicContact CD2-CG2 3.96Å; W316-V436 HydrophobicContact CE3-CB 4.09Å; W316-V436 HydrophobicContact CE3-CG1 4.06Å; W316-V436 HydrophobicContact CG-CB 3.86Å; W316-V436 HydrophobicContact CG-CG2 3.65Å; W316-V436 HydrophobicContact CH2-CB 4.42Å; W316-V436 HydrophobicContact CH2-CG1 4.44Å; W316-V436 HydrophobicContact CZ2-CB 4.03Å; W316-V436 VanDerWaalsContact CZ2-O 3.27Å; W316-V436 WeakPolarHBondContact CZ2-O 2.98Å; W316-V436 HydrophobicContact CZ3-CB 4.48Å; W316-V436 HydrophobicContact CZ3-CG1 4.24Å; W316-P438 HydrophobicContact CH2-CB 4.41Å; W316-P438 HydrophobicContact CH2-CG 4.3Å; W316-V454 HydrophobicContact CH2-CB 4.42Å; W316-V454 HydrophobicContact CH2-CG1 3.5Å; W316-V454 VanDerWaalsContact CH2-CG1 3.5Å; W316-V454 HydrophobicContact CH2-CG2 4.09Å; W316-V454 HydrophobicContact CZ2-CG1 4.32Å; W316-V454 HydrophobicContact CZ3-CG1 3.6Å; W316-V454 HydrophobicContact CZ3-CG2 4.47Å; W316-L475 HydrophobicContact CE3-CD2 4.13Å; W316-L475 HydrophobicContact CH2-CD2 4.16Å; W316-L475 HydrophobicContact CZ3-CD2 3.48Å; W316-L475 VanDerWaalsContact CZ3-CD2 3.48Å
317	T	98	Very high	86.8	Confident	35 Å²	35	71.6 Å²	71.6	22%	0.215	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-8.2	-179.1	-163.8	0	0	0	0	113.5	N315 Y319 A320 S321 T430	N315-T317 PolarHBondContact O-N 2.82Å; N315-T317 VanDerWaalsContact O-N 3.11Å; N315-T317 WeakPolarHBondContact OD1-CG2 3.46Å; N315-T317 PolarHBondContact OD1-N 2.73Å; T317-Y319 PolarHBondContact O-N 2.69Å; T317-A320 PolarHBondContact O-N 3.39Å; T317-S321 VanDerWaalsContact O-CB 3.3Å; T317-S321 WeakPolarHBondContact O-CB 3.25Å; T317-S321 PolarHBondContact O-N 2.88Å; T317-S321 PolarHBondContact O-OG 2.98Å; T317-S321 PolarHBondContact OG1-OG 2.88Å; T317-T430 WeakPolarHBondContact OG1-CA 3.47Å
318	S	97.7	Very high	85	Confident	54 Å²	54	72.9 Å²	72.9	38%	0.378	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-52.6	-167.5	-174.1	0	0	0	0	113.2	N315	N315-S318 WeakPolarHBondContact O-CB 3.45Å; N315-S318 PolarHBondContact O-N 2.89Å; N315-S318 VanDerWaalsContact O-N 3.13Å
319	Y	97.6	Very high	83.4	Confident	60 Å²	60	75.9 Å²	75.9	24%	0.235	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-48.3	178.6	175.1	-94.3	0	0	0	111.2	T317 S321 S322 I323 S428 D457 R459	T317-Y319 PolarHBondContact O-N 2.69Å; Y319-S321 VanDerWaalsContact C-N 3.29Å; Y319-S321 PolarHBondContact O-N 3.24Å; Y319-S322 WeakPolarHBondContact O-CB 3.47Å; Y319-S322 PolarHBondContact O-N 2.62Å; Y319-S322 PolarHBondContact O-OG 2.93Å; Y319-I323 HydrophobicContact CD1-CD1 4.38Å; Y319-I323 HydrophobicContact CE1-CD1 3.74Å; Y319-I323 HydrophobicContact CE1-CG1 4.48Å; Y319-I323 HydrophobicContact CE1-CG2 4.17Å; Y319-I323 HydrophobicContact CE2-CG2 4.06Å; Y319-S428 WeakPolarHBondContact CD1-OG 3.34Å; Y319-D457 WeakPolarHBondContact CB-O 3.3Å; Y319-D457 PolarHBondContact N-O 3.21Å; Y319-R459 HydrophobicContact CD1-CG 3.59Å; Y319-R459 HydrophobicContact CD2-CG 4.28Å; Y319-R459 HydrophobicContact CE1-CG 4.13Å; Y319-R459 HydrophobicContact CG-CG 3.66Å
320	A	96.9	Very high	82.9	Confident	3 Å²	3	75 Å²	75	3%	0.025	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-59.2	-38.5	-175.3	0	0	0	0	0	112.7	T317 S322 I323 G429 T430	T317-A320 PolarHBondContact O-N 3.39Å; A320-S322 VanDerWaalsContact C-N 3.25Å; A320-S322 PolarHBondContact O-N 3.4Å; A320-I323 WeakPolarHBondContact O-CG1 3.38Å; A320-G429 WeakPolarHBondContact CB-O 3.32Å; A320-T430 HydrophobicContact CB-CG2 3.85Å
321	S	95.7	Very high	83.9	Confident	80 Å²	80	78.9 Å²	78.9	56%	0.559	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-74.5	-13.3	177.7	-61.7	0	0	0	0	113.9	T317 Y319	T317-S321 VanDerWaalsContact O-CB 3.3Å; T317-S321 WeakPolarHBondContact O-CB 3.25Å; T317-S321 PolarHBondContact O-N 2.88Å; T317-S321 PolarHBondContact O-OG 2.98Å; T317-S321 PolarHBondContact OG1-OG 2.88Å; Y319-S321 VanDerWaalsContact C-N 3.29Å; Y319-S321 PolarHBondContact O-N 3.24Å
322	S	94.8	Very high	85.4	Confident	89 Å²	89	80.5 Å²	80.5	62%	0.622	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-95	-11.7	-175.4	74.5	0	0	0	0	114.2	Y319 A320	Y319-S322 WeakPolarHBondContact O-CB 3.47Å; Y319-S322 PolarHBondContact O-N 2.62Å; Y319-S322 PolarHBondContact O-OG 2.93Å; A320-S322 VanDerWaalsContact C-N 3.25Å; A320-S322 PolarHBondContact O-N 3.4Å
323	I	91.9	Very high	86.4	Confident	51 Å²	51	77.1 Å²	77.1	26%	0.262	46%	0.458	S	S	.	.	S	Bend	trans	-104.3	144.6	-175.4	58.7	166.1	0	0	0	111.6	Y319 A320 H364	Y319-I323 HydrophobicContact CD1-CD1 4.38Å; Y319-I323 HydrophobicContact CE1-CD1 3.74Å; Y319-I323 HydrophobicContact CE1-CG1 4.48Å; Y319-I323 HydrophobicContact CE1-CG2 4.17Å; Y319-I323 HydrophobicContact CE2-CG2 4.06Å; A320-I323 WeakPolarHBondContact O-CG1 3.38Å; I323-H364 HydrophobicContact CD1-CB 3.9Å
324	E	83.5	Confident	86.8	Confident	180 Å²	180	76.9 Å²	76.9	84%	0.841	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-79.8	136.8	169.5	-67.7	-174.6	173.3	0	0	109.8
325	P	76.3	Confident	87	Confident	88 Å²	88	76.5 Å²	76.5	57%	0.571	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-62.6	137	176	25	-31.6	0	0	0	109.9	T355	P325-T355 HydrophobicContact CB-CG2 4.17Å
326	P	70.8	Confident	87	Confident	57 Å²	57	76.9 Å²	76.9	37%	0.37	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-57.4	144.2	173.7	22.2	-29	0	0	0	110.1	S328 T355	P326-S328 PolarHBondContact O-N 2.77Å; P326-S328 VanDerWaalsContact O-N 3.13Å; P326-T355 VanDerWaalsContact CD-OG1 3.28Å; P326-T355 WeakPolarHBondContact CD-OG1 3.26Å
327	S	57.6	Low	87	Confident	123 Å²	123	76.5 Å²	76.5	86%	0.86	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-48.5	118.5	-174.5	42.8	0	0	0	0	112.1	G329	S327-G329 PolarHBondContact O-N 2.77Å
328	S	57.7	Low	87	Confident	126 Å²	126	76.8 Å²	76.8	88%	0.881	45%	0.448	S	S	*	.	S	Bend	trans	-70.9	108.5	-169.5	55.5	0	0	0	0	112.7	P326	P326-S328 PolarHBondContact O-N 2.77Å; P326-S328 VanDerWaalsContact O-N 3.13Å
329	G	60.9	Low	87	Confident	70 Å²	70	80.3 Å²	80.3	72%	0.722	46%	0.457	S	S	*	.			trans	-140	7.6	168.5	0	0	0	0	0	113.7	S327	S327-G329 PolarHBondContact O-N 2.77Å
330	N	71.3	Confident	87.1	Confident	79 Å²	79	78.2 Å²	78.2	42%	0.422	45%	0.45	S	S	.	.			trans	-85.8	138.5	-173.4	-62.7	-30.8	0	0	0	111.6	E332 V345 Y354	N330-E332 PolarHBondContact O-N 2.82Å; N330-V345 HydrophobicContact CB-CG2 3.45Å; N330-V345 VanDerWaalsContact CB-CG2 3.45Å; N330-Y354 WeakPolarHBondContact ND2-CD1 3.27Å; N330-Y354 WeakPolarHBondContact ND2-CE1 3.14Å
331	Q	90.3	Very high	87.1	Confident	177 Å²	177	83.3 Å²	83.3	83%	0.827	47%	0.473	S	S	*	.			trans	-80.9	108.1	179.5	-170.8	167.9	7.7	0	0	110.4
332	E	96	Very high	87.3	Confident	112 Å²	112	79.5 Å²	79.5	52%	0.523	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	153.1	175.5	-65.3	179.5	-179.6	0	0	112	N330 T343 F344	N330-E332 PolarHBondContact O-N 2.82Å; E332-T343 HydrophobicContact CB-CG2 4.36Å; E332-T343 HydrophobicContact CG-CG2 4.47Å; E332-T343 WeakPolarHBondContact OE2-CG2 3.36Å; E332-F344 CarbonylContact C-O 3.6Å; E332-F344 VanDerWaalsContact CA-O 3.23Å; E332-F344 WeakPolarHBondContact CA-O 3.5Å
333	F	97.6	Very high	87.5	Confident	34 Å²	34	75.5 Å²	75.5	15%	0.149	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	164.5	172.6	65.3	-85.4	0	0	0	111.3	F344 K346 A379 L408 C411	F333-F344 HydrophobicContact CD1-CB 4.11Å; F333-F344 HydrophobicContact CD2-CB 3.99Å; F333-F344 HydrophobicContact CE1-CB 3.68Å; F333-F344 HydrophobicContact CE2-CB 3.53Å; F333-F344 HydrophobicContact CE2-CD2 4.16Å; F333-F344 HydrophobicContact CE2-CG 4.07Å; F333-F344 HydrophobicContact CG-CB 4.26Å; F333-F344 HydrophobicContact CZ-CB 3.37Å; F333-F344 HydrophobicContact CZ-CG 4.1Å; F333-F344 PolarHBondContact N-O 2.84Å; F333-F344 PolarHBondContact O-N 3.08Å; F333-K346 HydrophobicContact CE1-CB 4.27Å; F333-A379 HydrophobicContact CZ-CB 4.04Å; F333-L408 HydrophobicContact CD1-CD1 4.01Å; F333-L408 HydrophobicContact CD2-CB 3.98Å; F333-L408 HydrophobicContact CE1-CB 4.4Å; F333-L408 HydrophobicContact CE1-CD1 4.08Å; F333-L408 HydrophobicContact CE1-CD2 4.14Å; F333-L408 HydrophobicContact CE1-CG 4.44Å; F333-L408 HydrophobicContact CE2-CB 3.81Å; F333-L408 VanDerWaalsContact CE2-O 3.25Å; F333-L408 WeakPolarHBondContact CE2-O 3.4Å; F333-L408 HydrophobicContact CG-CB 4.36Å; F333-L408 HydrophobicContact CG-CD1 4.37Å; F333-L408 HydrophobicContact CZ-CB 4.02Å; F333-L408 HydrophobicContact CZ-CD2 4.01Å; F333-L408 HydrophobicContact CZ-CG 4.4Å; F333-C411 HydrophobicContact CE2-CB 4Å; F333-C411 HydrophobicContact CZ-CB 4.24Å
334	K	98.3	Very high	87.8	Confident	107 Å²	107	73.1 Å²	73.1	47%	0.465	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.9	175.2	-60.6	-59.6	-174.9	170.3	0	110.5	E341 T343	K334-E341 HydrophobicContact CB-CG 4.24Å; K334-E341 HydrophobicContact CD-CG 4.16Å; K334-E341 HydrophobicContact CG-CG 4.49Å; K334-E341 IonicContact NZ-OE1 3.6Å; K334-T343 PolarHBondContact NZ-OG1 3.25Å
335	G	97.8	Very high	88.4	Confident	4 Å²	4	64.6 Å²	64.6	4%	0.041	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	151.9	173.9	0	0	0	0	0	109.8	F342	G335-F342 PolarHBondContact N-O 2.88Å; G335-F342 PolarHBondContact O-N 3.46Å
336	T	98.5	Very high	89.4	Confident	75 Å²	75	64.9 Å²	64.9	46%	0.46	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.7	179	-58.7	0	0	0	0	109	D340 G412	T336-D340 CarbonylContact C-O 3.58Å; T336-D340 VanDerWaalsContact CA-O 3.31Å; T336-D340 WeakPolarHBondContact CA-O 3.46Å; T336-G412 CarbonylContact O-C 3.54Å; T336-G412 WeakPolarHBondContact O-CA 3.41Å
337	V	98.6	Very high	90.6	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.018	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.8	171.8	-170.5	0	0	0	0	106.7	P243 F339 D340 F342 F344 L401	P243-V337 HydrophobicContact CG-CG1 3.52Å; V337-F339 VanDerWaalsContact C-N 3.3Å; V337-F339 PolarHBondContact O-N 2.9Å; V337-D340 PolarHBondContact N-O 2.98Å; V337-D340 WeakPolarHBondContact O-CB 3.38Å; V337-D340 PolarHBondContact O-N 3.48Å; V337-F342 HydrophobicContact CB-CD2 3.71Å; V337-F342 HydrophobicContact CB-CE2 3.52Å; V337-F342 HydrophobicContact CB-CG 4.41Å; V337-F342 HydrophobicContact CB-CZ 4.04Å; V337-F342 HydrophobicContact CG1-CE2 4.36Å; V337-F342 HydrophobicContact CG1-CZ 4.48Å; V337-F342 HydrophobicContact CG2-CB 4.31Å; V337-F342 HydrophobicContact CG2-CD1 4.08Å; V337-F342 HydrophobicContact CG2-CD2 3.51Å; V337-F342 HydrophobicContact CG2-CE1 4.25Å; V337-F342 HydrophobicContact CG2-CE2 3.73Å; V337-F342 HydrophobicContact CG2-CG 3.71Å; V337-F342 HydrophobicContact CG2-CZ 4.08Å; V337-F344 HydrophobicContact CG2-CE2 4.01Å; V337-F344 HydrophobicContact CG2-CZ 3.71Å; V337-L401 HydrophobicContact CG2-CD2 4.44Å
338	F	97.4	Very high	92.1	Very high	40 Å²	40	60 Å²	60	18%	0.175	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	43.2	55.2	-178.4	-172.3	-131.8	0	0	0	113.1	V241 L245 D340 H387	V241-F338 HydrophobicContact CG1-CD2 3.56Å; V241-F338 HydrophobicContact CG1-CE2 3.88Å; V241-F338 HydrophobicContact CG1-CG 4.09Å; L245-F338 HydrophobicContact CD1-CD1 3.93Å; L245-F338 HydrophobicContact CD1-CE1 3.8Å; F338-D340 PolarHBondContact O-N 2.75Å; F338-D340 VanDerWaalsContact O-N 3.09Å; F338-H387 AromaticContact CD1-CE1 3.25Å; F338-H387 WeakPolarHBondContact CD1-CE1 3.31Å; F338-H387 AromaticContact CD1-NE2 3.89Å; F338-H387 AromaticContact CE1-CE1 3.23Å; F338-H387 WeakPolarHBondContact CE1-CE1 3.5Å; F338-H387 AromaticContact CE1-NE2 3.35Å; F338-H387 WeakPolarHBondContact CE1-NE2 3.49Å; F338-H387 AromaticContact CZ-NE2 3.95Å; F338-H387 PolarHBondContact O-CE1 3.25Å; F338-H387 VanDerWaalsContact O-CE1 3.23Å
339	F	98.1	Very high	93.7	Very high	129 Å²	129	60.3 Å²	60.3	57%	0.566	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	-6.3	-178.3	-47.9	-79.6	0	0	0	117	V337 V389	V337-F339 VanDerWaalsContact C-N 3.3Å; V337-F339 PolarHBondContact O-N 2.9Å; F339-V389 HydrophobicContact CB-CB 4.18Å; F339-V389 HydrophobicContact CB-CG2 3.69Å; F339-V389 HydrophobicContact CD1-CG2 4.45Å; F339-V389 HydrophobicContact CD2-CB 3.8Å; F339-V389 HydrophobicContact CD2-CG1 3.53Å; F339-V389 HydrophobicContact CD2-CG2 4.13Å; F339-V389 HydrophobicContact CE2-CB 4.44Å; F339-V389 HydrophobicContact CE2-CG1 3.68Å; F339-V389 HydrophobicContact CG-CB 4.05Å; F339-V389 HydrophobicContact CG-CG1 4Å; F339-V389 HydrophobicContact CG-CG2 3.84Å; F339-V389 HydrophobicContact CZ-CG1 4.25Å
340	D	98.4	Very high	95.3	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.08	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	136.1	177.5	-68	-39.9	0	0	0	111.8	T336 V337 F338 F342 F383 H387	T336-D340 CarbonylContact C-O 3.58Å; T336-D340 VanDerWaalsContact CA-O 3.31Å; T336-D340 WeakPolarHBondContact CA-O 3.46Å; V337-D340 PolarHBondContact N-O 2.98Å; V337-D340 WeakPolarHBondContact O-CB 3.38Å; V337-D340 PolarHBondContact O-N 3.48Å; F338-D340 PolarHBondContact O-N 2.75Å; F338-D340 VanDerWaalsContact O-N 3.09Å; D340-F342 HydrophobicContact CB-CD2 4.23Å; D340-F342 HydrophobicContact CB-CE2 3.89Å; D340-F342 PolarHBondContact O-N 2.76Å; D340-F383 HydrophobicContact CB-CD1 4.43Å; D340-F383 HydrophobicContact CB-CD2 4.14Å; D340-F383 HydrophobicContact CB-CE1 3.98Å; D340-F383 HydrophobicContact CB-CE2 3.68Å; D340-F383 HydrophobicContact CB-CZ 3.58Å; D340-F383 VanDerWaalsContact CG-CZ 3.47Å; D340-H387 VanDerWaalsContact CG-ND1 3.34Å; D340-H387 IonicContact OD1-CG 2.81Å; D340-H387 IonicContact OD1-ND1 3.56Å; D340-H387 PolarHBondContact OD1-ND1 2.86Å; D340-H387 IonicContact OD2-CE1 2.74Å; D340-H387 IonicContact OD2-CG 3.37Å; D340-H387 IonicContact OD2-ND1 3.66Å; D340-H387 PolarHBondContact OD2-ND1 3.43Å
341	E	98.5	Very high	96.5	Very high	110 Å²	110	57.8 Å²	57.8	51%	0.514	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	105.9	179.7	-168.9	-170.3	90.6	0	0	111.3	K334 Q358	K334-E341 HydrophobicContact CB-CG 4.24Å; K334-E341 HydrophobicContact CD-CG 4.16Å; K334-E341 HydrophobicContact CG-CG 4.49Å; K334-E341 IonicContact NZ-OE1 3.6Å; E341-Q358 PolarHBondContact O-NE2 2.71Å
342	F	98.8	Very high	96.7	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	156.1	177.3	-80.9	-122.1	0	0	0	111.5	G335 V337 D340 F344 F383 I397 T399	G335-F342 PolarHBondContact N-O 2.88Å; G335-F342 PolarHBondContact O-N 3.46Å; V337-F342 HydrophobicContact CB-CD2 3.71Å; V337-F342 HydrophobicContact CB-CE2 3.52Å; V337-F342 HydrophobicContact CB-CG 4.41Å; V337-F342 HydrophobicContact CB-CZ 4.04Å; V337-F342 HydrophobicContact CG1-CE2 4.36Å; V337-F342 HydrophobicContact CG1-CZ 4.48Å; V337-F342 HydrophobicContact CG2-CB 4.31Å; V337-F342 HydrophobicContact CG2-CD1 4.08Å; V337-F342 HydrophobicContact CG2-CD2 3.51Å; V337-F342 HydrophobicContact CG2-CE1 4.25Å; V337-F342 HydrophobicContact CG2-CE2 3.73Å; V337-F342 HydrophobicContact CG2-CG 3.71Å; V337-F342 HydrophobicContact CG2-CZ 4.08Å; D340-F342 HydrophobicContact CB-CD2 4.23Å; D340-F342 HydrophobicContact CB-CE2 3.89Å; D340-F342 PolarHBondContact O-N 2.76Å; F342-F344 HydrophobicContact CB-CD2 3.81Å; F342-F344 HydrophobicContact CB-CE2 3.33Å; F342-F344 HydrophobicContact CB-CZ 3.79Å; F342-F344 HydrophobicContact CD1-CE2 4.48Å; F342-F344 HydrophobicContact CD1-CZ 4.07Å; F342-F344 HydrophobicContact CG-CE2 4.11Å; F342-F344 HydrophobicContact CG-CZ 4.12Å; F342-F383 HydrophobicContact CD1-CB 3.68Å; F342-F383 HydrophobicContact CD2-CB 3.74Å; F342-F383 HydrophobicContact CD2-CD2 4.07Å; F342-F383 HydrophobicContact CD2-CG 4.04Å; F342-F383 HydrophobicContact CE1-CB 3.43Å; F342-F383 VanDerWaalsContact CE1-CB 3.43Å; F342-F383 HydrophobicContact CE1-CG 4.5Å; F342-F383 HydrophobicContact CE2-CB 3.48Å; F342-F383 VanDerWaalsContact CE2-CB 3.48Å; F342-F383 HydrophobicContact CE2-CD1 4.19Å; F342-F383 HydrophobicContact CE2-CD2 4.12Å; F342-F383 AromaticContact CE2-CG 3.69Å; F342-F383 HydrophobicContact CE2-CG 3.69Å; F342-F383 HydrophobicContact CG-CB 3.84Å; F342-F383 HydrophobicContact CZ-CB 3.33Å; F342-F383 HydrophobicContact CZ-CD1 4.36Å; F342-F383 AromaticContact CZ-CG 3.97Å; F342-F383 HydrophobicContact CZ-CG 3.97Å; F342-I397 HydrophobicContact CE1-CB 3.99Å; F342-I397 HydrophobicContact CE1-CG2 3.9Å; F342-I397 HydrophobicContact CZ-CB 4.01Å; F342-I397 HydrophobicContact CZ-CD1 4.03Å; F342-I397 HydrophobicContact CZ-CG2 4.1Å; F342-T399 HydrophobicContact CD1-CG2 4.16Å; F342-T399 HydrophobicContact CE1-CG2 3.89Å
343	T	98.6	Very high	96.6	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.6	165.8	-50.5	0	0	0	0	108.5	E332 K334 V356 Q358 G381 A382	E332-T343 HydrophobicContact CB-CG2 4.36Å; E332-T343 HydrophobicContact CG-CG2 4.47Å; E332-T343 WeakPolarHBondContact OE2-CG2 3.36Å; K334-T343 PolarHBondContact NZ-OG1 3.25Å; T343-V356 HydrophobicContact CG2-CG2 3.88Å; T343-V356 WeakPolarHBondContact O-CG2 3.43Å; T343-Q358 PolarHBondContact OG1-NE2 2.7Å; T343-G381 WeakPolarHBondContact O-CA 3.24Å; T343-A382 PolarHBondContact N-O 2.95Å; T343-A382 PolarHBondContact O-N 3.47Å
344	F	98.6	Very high	96.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	154.4	-173.8	-78.5	-75.5	0	0	0	112.9	E332 F333 V337 F342 A379 L380 G381 T399 L401	E332-F344 CarbonylContact C-O 3.6Å; E332-F344 VanDerWaalsContact CA-O 3.23Å; E332-F344 WeakPolarHBondContact CA-O 3.5Å; F333-F344 HydrophobicContact CD1-CB 4.11Å; F333-F344 HydrophobicContact CD2-CB 3.99Å; F333-F344 HydrophobicContact CE1-CB 3.68Å; F333-F344 HydrophobicContact CE2-CB 3.53Å; F333-F344 HydrophobicContact CE2-CD2 4.16Å; F333-F344 HydrophobicContact CE2-CG 4.07Å; F333-F344 HydrophobicContact CG-CB 4.26Å; F333-F344 HydrophobicContact CZ-CB 3.37Å; F333-F344 HydrophobicContact CZ-CG 4.1Å; F333-F344 PolarHBondContact N-O 2.84Å; F333-F344 PolarHBondContact O-N 3.08Å; V337-F344 HydrophobicContact CG2-CE2 4.01Å; V337-F344 HydrophobicContact CG2-CZ 3.71Å; F342-F344 HydrophobicContact CB-CD2 3.81Å; F342-F344 HydrophobicContact CB-CE2 3.33Å; F342-F344 HydrophobicContact CB-CZ 3.79Å; F342-F344 HydrophobicContact CD1-CE2 4.48Å; F342-F344 HydrophobicContact CD1-CZ 4.07Å; F342-F344 HydrophobicContact CG-CE2 4.11Å; F342-F344 HydrophobicContact CG-CZ 4.12Å; F344-A379 HydrophobicContact CB-CB 4.4Å; F344-A379 HydrophobicContact CD1-CB 3.67Å; F344-A379 HydrophobicContact CE1-CB 4.33Å; F344-A379 HydrophobicContact CG-CB 4.31Å; F344-L380 CarbonylContact C-O 3.59Å; F344-L380 VanDerWaalsContact CA-O 3.27Å; F344-L380 WeakPolarHBondContact CA-O 3.05Å; F344-L380 WeakPolarHBondContact CD1-O 3.26Å; F344-G381 VanDerWaalsContact CE1-CA 3.41Å; F344-T399 HydrophobicContact CE1-CG2 4.16Å; F344-L401 HydrophobicContact CE1-CD1 4.3Å; F344-L401 HydrophobicContact CE1-CD2 4.01Å; F344-L401 HydrophobicContact CE1-CG 4.1Å; F344-L401 HydrophobicContact CZ-CD2 3.94Å; F344-L401 HydrophobicContact CZ-CG 4.46Å
345	V	97.5	Very high	96.5	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.8	164.6	63.5	0	0	0	0	110	N330 Y354 V356 A379 L380	N330-V345 HydrophobicContact CB-CG2 3.45Å; N330-V345 VanDerWaalsContact CB-CG2 3.45Å; V345-Y354 HydrophobicContact CG1-CD1 4.02Å; V345-Y354 HydrophobicContact CG2-CD1 3.8Å; V345-Y354 HydrophobicContact CG2-CE1 4.12Å; V345-V356 HydrophobicContact CG1-CB 4Å; V345-V356 HydrophobicContact CG1-CG1 4.43Å; V345-A379 VanDerWaalsContact O-CA 3.29Å; V345-A379 WeakPolarHBondContact O-CA 3.26Å; V345-L380 HydrophobicContact CG1-CB 3.86Å; V345-L380 HydrophobicContact CG1-CD2 4.29Å; V345-L380 HydrophobicContact CG1-CG 4.45Å; V345-L380 PolarHBondContact N-O 2.87Å; V345-L380 PolarHBondContact O-N 3.06Å
346	K	96.6	Very high	96.4	Very high	93 Å²	93	45.1 Å²	45.1	40%	0.404	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	136.1	178.6	-178.8	-171.2	175.8	179.2	0	110.1	F333 A348 Y354 V377 L408	F333-K346 HydrophobicContact CE1-CB 4.27Å; K346-A348 PolarHBondContact O-N 3.47Å; K346-Y354 WeakPolarHBondContact O-CE1 3.43Å; K346-V377 HydrophobicContact CD-CG1 4.35Å; K346-V377 HydrophobicContact CG-CG1 4.06Å; K346-L408 HydrophobicContact CB-CD2 4.34Å; K346-L408 HydrophobicContact CD-CD2 4.18Å; K346-L408 HydrophobicContact CG-CD2 4.29Å
347	L	95.1	Very high	96.3	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.052	24%	0.239	C	C	.	.			trans	-77.9	106.8	166.3	-82.5	63.1	0	0	0	108.5	Y354 L365 Y367 M369 Y378 L380 L400	L347-Y354 HydrophobicContact CG-CD2 4.49Å; L347-Y354 HydrophobicContact CG-CE2 4.46Å; L347-L365 HydrophobicContact CD1-CD2 4.32Å; L347-L365 HydrophobicContact CD2-CD2 3.93Å; L347-Y367 HydrophobicContact CB-CE1 4.25Å; L347-Y367 HydrophobicContact CB-CE2 4.45Å; L347-Y367 WeakPolarHBondContact CB-OH 3.46Å; L347-Y367 HydrophobicContact CD2-CD1 3.72Å; L347-Y367 HydrophobicContact CD2-CD2 3.96Å; L347-Y367 HydrophobicContact CD2-CE1 3.44Å; L347-Y367 VanDerWaalsContact CD2-CE1 3.44Å; L347-Y367 HydrophobicContact CD2-CE2 3.72Å; L347-Y367 HydrophobicContact CD2-CG 3.97Å; L347-Y367 VanDerWaalsContact CD2-CZ 3.44Å; L347-Y367 HydrophobicContact CG-CD1 4.19Å; L347-Y367 HydrophobicContact CG-CE1 3.48Å; L347-Y367 VanDerWaalsContact CG-CE1 3.48Å; L347-Y367 HydrophobicContact CG-CE2 4.28Å; L347-M369 HydrophobicContact CB-CE 4.13Å; L347-M369 HydrophobicContact CD2-CE 3.84Å; L347-Y378 PolarHBondContact N-O 2.03Å; L347-L380 HydrophobicContact CD1-CB 3.99Å; L347-L400 HydrophobicContact CD1-CD1 4.45Å; L347-L400 HydrophobicContact CD2-CD1 3.58Å
348	A	89.7	Confident	96.3	Very high	67 Å²	67	44.7 Å²	44.7	55%	0.554	24%	0.243	S	C	*	.			trans	-90.4	-29.7	-171.8	0	0	0	0	0	113.3	K346 Y354	K346-A348 PolarHBondContact O-N 3.47Å; A348-Y354 PolarHBondContact N-OH 3.06Å
349	E	91.2	Very high	96.3	Very high	134 Å²	134	50 Å²	50	63%	0.626	27%	0.266	S	S	*	.	S	Bend	trans	-112.9	167.5	-175.4	-62.1	-169.2	-176	0	0	111.7	A351 Y367	E349-A351 PolarHBondContact O-N 2.81Å; E349-Y367 WeakPolarHBondContact O-CE2 3.33Å; E349-Y367 PolarHBondContact O-OH 2.87Å
350	V	94.2	Very high	96.3	Very high	51 Å²	51	48.3 Å²	48.3	31%	0.309	27%	0.266	S	S	.	.	S	Bend	trans	-65.8	-29.8	178.9	-172.3	0	0	0	0	111.9	Y367 K368 M369 N372	V350-Y367 WeakPolarHBondContact O-CE2 3.33Å; V350-K368 CarbonylContact O-C 3.58Å; V350-K368 WeakPolarHBondContact O-CA 3.31Å; V350-M369 HydrophobicContact CG1-CB 4.14Å; V350-M369 WeakPolarHBondContact CG1-O 3.38Å; V350-M369 PolarHBondContact O-N 3.37Å; V350-N372 HydrophobicContact CG2-CB 3.52Å; V350-N372 WeakPolarHBondContact CG2-ND2 3.37Å
351	A	96	Very high	96.3	Very high	44 Å²	44	47.6 Å²	47.6	36%	0.364	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.6	175.5	0	0	0	0	0	108.9	E349 Y367 K368	E349-A351 PolarHBondContact O-N 2.81Å; A351-Y367 VanDerWaalsContact CA-O 3.24Å; A351-Y367 WeakPolarHBondContact CA-O 3.44Å; A351-Y367 WeakPolarHBondContact CB-O 3.49Å; A351-K368 HydrophobicContact CB-CB 4.08Å; A351-K368 HydrophobicContact CB-CG 4.09Å
352	G	94.4	Very high	96.2	Very high	19 Å²	19	44 Å²	44	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	170	179.4	0	0	0	0	0	113.6	Y367	G352-Y367 PolarHBondContact N-O 2.88Å; G352-Y367 VanDerWaalsContact N-O 3.12Å; G352-Y367 WeakPolarHBondContact O-CD1 3.38Å; G352-Y367 PolarHBondContact O-N 3.46Å; G352-Y367 VanDerWaalsContact O-N 3.07Å
353	N	95.4	Very high	96.2	Very high	102 Å²	102	44 Å²	44	55%	0.545	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.7	173.8	-61.7	-53.8	0	0	0	108.2	L365 S366	N353-L365 CarbonylContact C-O 3.22Å; N353-L365 VanDerWaalsContact CA-O 3.3Å; N353-L365 WeakPolarHBondContact CA-O 3.43Å; N353-S366 WeakPolarHBondContact OD1-CA 3.49Å; N353-S366 WeakPolarHBondContact OD1-CB 3.46Å; N353-S366 PolarHBondContact OD1-OG 2.99Å
354	Y	95.7	Very high	96.2	Very high	21 Å²	21	44.4 Å²	44.4	8%	0.082	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.1	-175.9	-72.8	-98.2	0	0	0	110.7	N330 V345 K346 L347 A348 H364 L365 Y367	N330-Y354 WeakPolarHBondContact ND2-CD1 3.27Å; N330-Y354 WeakPolarHBondContact ND2-CE1 3.14Å; V345-Y354 HydrophobicContact CG1-CD1 4.02Å; V345-Y354 HydrophobicContact CG2-CD1 3.8Å; V345-Y354 HydrophobicContact CG2-CE1 4.12Å; K346-Y354 WeakPolarHBondContact O-CE1 3.43Å; L347-Y354 HydrophobicContact CG-CD2 4.49Å; L347-Y354 HydrophobicContact CG-CE2 4.46Å; A348-Y354 PolarHBondContact N-OH 3.06Å; Y354-H364 WeakPolarHBondContact O-CA 3.23Å; Y354-L365 PolarHBondContact N-O 3.19Å; Y354-L365 PolarHBondContact O-N 3.23Å; Y354-Y367 HydrophobicContact CD2-CD1 4.48Å; Y354-Y367 AromaticContact CD2-CE1 3.68Å; Y354-Y367 HydrophobicContact CD2-CE1 3.68Å; Y354-Y367 AromaticContact CE2-CE1 3.65Å; Y354-Y367 HydrophobicContact CE2-CE1 3.65Å
355	T	96.6	Very high	96.2	Very high	26 Å²	26	44.5 Å²	44.5	16%	0.16	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.2	168.7	-63.8	0	0	0	0	108.8	P325 P326 C363 H364	P325-T355 HydrophobicContact CB-CG2 4.17Å; P326-T355 VanDerWaalsContact CD-OG1 3.28Å; P326-T355 WeakPolarHBondContact CD-OG1 3.26Å; T355-C363 VanDerWaalsContact CA-O 3.24Å; T355-C363 WeakPolarHBondContact CA-O 3.31Å; T355-H364 WeakPolarHBondContact CG2-ND1 3.23Å; T355-H364 PolarHBondContact OG1-ND1 2.85Å
356	V	96.7	Very high	96.2	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.3	173.2	66.5	0	0	0	0	108.3	T343 V345 C363 L380 A382	T343-V356 HydrophobicContact CG2-CG2 3.88Å; T343-V356 WeakPolarHBondContact O-CG2 3.43Å; V345-V356 HydrophobicContact CG1-CB 4Å; V345-V356 HydrophobicContact CG1-CG1 4.43Å; V356-C363 HydrophobicContact CG1-CB 4.29Å; V356-C363 PolarHBondContact N-O 2.99Å; V356-C363 VanDerWaalsContact N-O 3.11Å; V356-C363 PolarHBondContact O-N 3.32Å; V356-L380 HydrophobicContact CG1-CD2 3.92Å; V356-L380 HydrophobicContact CG1-CG 3.73Å; V356-A382 HydrophobicContact CG1-CB 4.01Å
357	C	96.8	Very high	96.2	Very high	47 Å²	47	41.8 Å²	41.8	32%	0.318	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.1	-178.3	-52.6	0	0	0	0	111.1	L361 C362	C357-L361 CarbonylContact C-O 3.52Å; C357-L361 WeakPolarHBondContact CA-O 3.26Å; C357-C362 HydrophobicContact CB-CB 4.08Å; C357-C362 WeakPolarHBondContact CB-SG 3.38Å; C357-C362 VanDerWaalsContact SG-CA 3.55Å; C357-C362 WeakPolarHBondContact SG-CB 3.36Å; C357-C362 CovalentContact SG-SG 2.05Å; C357-C362 PolarHBondContact SG-SG 2.87Å
358	Q	97.9	Very high	96.4	Very high	22 Å²	22	46.5 Å²	46.5	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	122.1	164.6	-166.9	-173.9	64.9	0	0	108.9	E341 T343 T360 L361 A382 D384	E341-Q358 PolarHBondContact O-NE2 2.71Å; T343-Q358 PolarHBondContact OG1-NE2 2.7Å; Q358-T360 PolarHBondContact O-N 2.72Å; Q358-T360 VanDerWaalsContact O-N 3.09Å; Q358-L361 PolarHBondContact N-O 2.96Å; Q358-L361 PolarHBondContact O-N 2.94Å; Q358-A382 HydrophobicContact CB-CB 4.13Å; Q358-D384 VanDerWaalsContact O-CB 3.32Å; Q358-D384 WeakPolarHBondContact O-CB 3.35Å
359	K	97.6	Very high	96.8	Very high	151 Å²	151	43.9 Å²	43.9	66%	0.657	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	-110.5	-174.9	-59.2	179.2	-164.5	157.3	0	111.9	D384	K359-D384 HydrophobicContact CB-CB 4.13Å; K359-D384 VanDerWaalsContact CB-OD2 3.29Å; K359-D384 WeakPolarHBondContact CB-OD2 3.2Å; K359-D384 HydrophobicContact CD-CB 4.49Å; K359-D384 VanDerWaalsContact CD-O 3.27Å; K359-D384 WeakPolarHBondContact CD-O 3.23Å; K359-D384 VanDerWaalsContact CE-O 3.29Å; K359-D384 WeakPolarHBondContact CE-O 3.43Å; K359-D384 PolarHBondContact NZ-O 3.26Å
360	T	97.3	Very high	96.9	Very high	93 Å²	93	39.2 Å²	39.2	57%	0.571	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-10.3	-176	64.8	0	0	0	0	113.4	Q358 D384 Q396 T430	Q358-T360 PolarHBondContact O-N 2.72Å; Q358-T360 VanDerWaalsContact O-N 3.09Å; T360-D384 WeakPolarHBondContact CB-OD2 3.31Å; T360-D384 PolarHBondContact N-OD2 3.22Å; T360-D384 PolarHBondContact OG1-OD2 3.23Å; T360-Q396 PolarHBondContact OG1-NE2 3.12Å; T360-Q396 VanDerWaalsContact OG1-NE2 3.17Å; T360-T430 PolarHBondContact O-OG1 3.48Å; T360-T430 VanDerWaalsContact O-OG1 3.13Å
361	L	98.6	Very high	96.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.8	179.9	-173.9	68.6	0	0	0	110.7	C357 Q358 F383 D384 Q396 I397 F431	C357-L361 CarbonylContact C-O 3.52Å; C357-L361 WeakPolarHBondContact CA-O 3.26Å; Q358-L361 PolarHBondContact N-O 2.96Å; Q358-L361 PolarHBondContact O-N 2.94Å; L361-F383 WeakPolarHBondContact CD2-O 3.37Å; L361-D384 HydrophobicContact CB-CB 4.03Å; L361-Q396 HydrophobicContact CD1-CB 4.48Å; L361-Q396 HydrophobicContact CD2-CB 3.99Å; L361-Q396 HydrophobicContact CD2-CG 4.38Å; L361-I397 WeakPolarHBondContact CD2-O 3.41Å; L361-F431 HydrophobicContact CD1-CD1 4Å; L361-F431 HydrophobicContact CD1-CE1 4.13Å; L361-F431 HydrophobicContact CD1-CG 4.22Å; L361-F431 HydrophobicContact CD1-CZ 4.44Å
362	C	97.8	Very high	95.3	Very high	35 Å²	35	43.9 Å²	43.9	24%	0.236	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.4	164.9	-73.9	0	0	0	0	109.2	C357 G429 T430	C357-C362 HydrophobicContact CB-CB 4.08Å; C357-C362 WeakPolarHBondContact CB-SG 3.38Å; C357-C362 VanDerWaalsContact SG-CA 3.55Å; C357-C362 WeakPolarHBondContact SG-CB 3.36Å; C357-C362 CovalentContact SG-SG 2.05Å; C357-C362 PolarHBondContact SG-SG 2.87Å; C362-G429 CarbonylContact O-C 3.58Å; C362-G429 WeakPolarHBondContact O-CA 3.48Å; C362-T430 HydrophobicContact CB-CG2 4.24Å; C362-T430 PolarHBondContact N-OG1 3.25Å; C362-T430 PolarHBondContact O-N 3Å
363	C	98.4	Very high	94.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.7	-178.1	-60.5	0	0	0	0	109.9	T355 V356 L380 A382 C398 S428	T355-C363 VanDerWaalsContact CA-O 3.24Å; T355-C363 WeakPolarHBondContact CA-O 3.31Å; V356-C363 HydrophobicContact CG1-CB 4.29Å; V356-C363 PolarHBondContact N-O 2.99Å; V356-C363 VanDerWaalsContact N-O 3.11Å; V356-C363 PolarHBondContact O-N 3.32Å; C363-L380 HydrophobicContact CB-CD1 4.38Å; C363-A382 HydrophobicContact CB-CB 4.33Å; C363-A382 VanDerWaalsContact SG-CB 3.52Å; C363-C398 VanDerWaalsContact CA-SG 3.52Å; C363-C398 HydrophobicContact CB-CB 3.62Å; C363-C398 WeakPolarHBondContact CB-SG 3.39Å; C363-C398 WeakPolarHBondContact SG-CA 3.34Å; C363-C398 WeakPolarHBondContact SG-CB 3.38Å; C363-C398 CovalentContact SG-SG 2.03Å; C363-C398 PolarHBondContact SG-SG 3Å; C363-S428 WeakPolarHBondContact CA-O 3.43Å
364	H	97.9	Very high	93.8	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.065	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.5	-176.6	-49.7	-81.6	0	0	0	110.3	I323 Y354 T355 L427 S428	I323-H364 HydrophobicContact CD1-CB 3.9Å; Y354-H364 WeakPolarHBondContact O-CA 3.23Å; T355-H364 WeakPolarHBondContact CG2-ND1 3.23Å; T355-H364 PolarHBondContact OG1-ND1 2.85Å; H364-L427 WeakPolarHBondContact O-CA 3.46Å; H364-S428 PolarHBondContact N-O 3.14Å; H364-S428 PolarHBondContact O-N 3.29Å
365	L	98.2	Very high	93.5	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.6	178.6	179.3	68.8	0	0	0	110.6	L347 N353 Y354 Y367 L380 L400 S426 L427	L347-L365 HydrophobicContact CD1-CD2 4.32Å; L347-L365 HydrophobicContact CD2-CD2 3.93Å; N353-L365 CarbonylContact C-O 3.22Å; N353-L365 VanDerWaalsContact CA-O 3.3Å; N353-L365 WeakPolarHBondContact CA-O 3.43Å; Y354-L365 PolarHBondContact N-O 3.19Å; Y354-L365 PolarHBondContact O-N 3.23Å; L365-Y367 HydrophobicContact CD2-CD1 3.87Å; L365-Y367 HydrophobicContact CD2-CG 4.38Å; L365-Y367 HydrophobicContact CG-CD1 4.11Å; L365-L380 HydrophobicContact CB-CD1 3.9Å; L365-L380 HydrophobicContact CB-CD2 3.82Å; L365-L380 HydrophobicContact CB-CG 4.35Å; L365-L380 HydrophobicContact CD2-CB 4.36Å; L365-L380 HydrophobicContact CD2-CD1 4.34Å; L365-L400 HydrophobicContact CD1-CB 4.46Å; L365-L400 HydrophobicContact CD1-CD2 4.19Å; L365-L400 HydrophobicContact CD2-CB 4.14Å; L365-L400 HydrophobicContact CD2-CD1 3.91Å; L365-L400 HydrophobicContact CD2-CD2 4.13Å; L365-L400 HydrophobicContact CD2-CG 4.28Å; L365-S426 WeakPolarHBondContact CA-O 3.48Å; L365-L427 HydrophobicContact CB-CD1 4.33Å; L365-L427 HydrophobicContact CD1-CB 4.32Å; L365-L427 HydrophobicContact CD1-CD1 4.29Å
366	S	97.8	Very high	93.4	Very high	33 Å²	33	51.6 Å²	51.6	23%	0.231	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.1	159.4	-64.3	0	0	0	0	108.4	N353 F425 S426	N353-S366 WeakPolarHBondContact OD1-CA 3.49Å; N353-S366 WeakPolarHBondContact OD1-CB 3.46Å; N353-S366 PolarHBondContact OD1-OG 2.99Å; S366-F425 CarbonylContact O-C 3.44Å; S366-F425 WeakPolarHBondContact O-CA 3.22Å; S366-S426 PolarHBondContact N-O 3.05Å; S366-S426 PolarHBondContact O-N 3.11Å
367	Y	98.1	Very high	93.4	Very high	6 Å²	6	52 Å²	52	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161.8	-179.4	76.2	-79.5	0	0	0	113.2	L347 E349 V350 A351 G352 Y354 L365 M369 F422 M424	L347-Y367 HydrophobicContact CB-CE1 4.25Å; L347-Y367 HydrophobicContact CB-CE2 4.45Å; L347-Y367 WeakPolarHBondContact CB-OH 3.46Å; L347-Y367 HydrophobicContact CD2-CD1 3.72Å; L347-Y367 HydrophobicContact CD2-CD2 3.96Å; L347-Y367 HydrophobicContact CD2-CE1 3.44Å; L347-Y367 VanDerWaalsContact CD2-CE1 3.44Å; L347-Y367 HydrophobicContact CD2-CE2 3.72Å; L347-Y367 HydrophobicContact CD2-CG 3.97Å; L347-Y367 VanDerWaalsContact CD2-CZ 3.44Å; L347-Y367 HydrophobicContact CG-CD1 4.19Å; L347-Y367 HydrophobicContact CG-CE1 3.48Å; L347-Y367 VanDerWaalsContact CG-CE1 3.48Å; L347-Y367 HydrophobicContact CG-CE2 4.28Å; E349-Y367 WeakPolarHBondContact O-CE2 3.33Å; E349-Y367 PolarHBondContact O-OH 2.87Å; V350-Y367 WeakPolarHBondContact O-CE2 3.33Å; A351-Y367 VanDerWaalsContact CA-O 3.24Å; A351-Y367 WeakPolarHBondContact CA-O 3.44Å; A351-Y367 WeakPolarHBondContact CB-O 3.49Å; G352-Y367 PolarHBondContact N-O 2.88Å; G352-Y367 VanDerWaalsContact N-O 3.12Å; G352-Y367 WeakPolarHBondContact O-CD1 3.38Å; G352-Y367 PolarHBondContact O-N 3.46Å; G352-Y367 VanDerWaalsContact O-N 3.07Å; Y354-Y367 HydrophobicContact CD2-CD1 4.48Å; Y354-Y367 AromaticContact CD2-CE1 3.68Å; Y354-Y367 HydrophobicContact CD2-CE1 3.68Å; Y354-Y367 AromaticContact CE2-CE1 3.65Å; Y354-Y367 HydrophobicContact CE2-CE1 3.65Å; L365-Y367 HydrophobicContact CD2-CD1 3.87Å; L365-Y367 HydrophobicContact CD2-CG 4.38Å; L365-Y367 HydrophobicContact CG-CD1 4.11Å; Y367-M369 HydrophobicContact CD2-CE 4.16Å; Y367-M369 HydrophobicContact CD2-CG 3.94Å; Y367-M369 HydrophobicContact CE2-CE 3.65Å; Y367-M369 HydrophobicContact CE2-CG 3.93Å; Y367-M369 HydrophobicContact CE2-SD 4.24Å; Y367-F422 HydrophobicContact CD2-CD1 4.33Å; Y367-F422 AromaticContact CD2-CE1 3.84Å; Y367-F422 HydrophobicContact CD2-CE1 3.84Å; Y367-F422 HydrophobicContact CG-CE1 4.25Å; Y367-M424 CarbonylContact C-O 3.5Å; Y367-M424 VanDerWaalsContact CA-O 3.31Å; Y367-M424 WeakPolarHBondContact CA-O 3.42Å
368	K	98.2	Very high	93.5	Very high	108 Å²	108	49.9 Å²	49.9	47%	0.47	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	116.9	164.9	-178.6	178.5	178	-172.4	0	109.3	V350 A351 F422 E423 M424	V350-K368 CarbonylContact O-C 3.58Å; V350-K368 WeakPolarHBondContact O-CA 3.31Å; A351-K368 HydrophobicContact CB-CB 4.08Å; A351-K368 HydrophobicContact CB-CG 4.09Å; K368-F422 CarbonylContact O-C 3.59Å; K368-E423 HydrophobicContact CB-CB 4.32Å; K368-E423 HydrophobicContact CD-CB 4.21Å; K368-E423 HydrophobicContact CD-CG 4.5Å; K368-E423 HydrophobicContact CG-CB 4.15Å; K368-E423 HydrophobicContact CG-CG 4.45Å; K368-E423 PolarHBondContact O-N 2.86Å; K368-M424 HydrophobicContact CB-CG 3.81Å; K368-M424 PolarHBondContact N-O 2.72Å; K368-M424 PolarHBondContact O-N 2.86Å
369	M	97.3	Very high	93.5	Very high	13 Å²	13	48.9 Å²	48.9	6%	0.064	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	150.1	171.5	-60.7	175.1	-175.2	0	0	110.1	L347 V350 Y367 Y378 T420 R421 F422	L347-M369 HydrophobicContact CB-CE 4.13Å; L347-M369 HydrophobicContact CD2-CE 3.84Å; V350-M369 HydrophobicContact CG1-CB 4.14Å; V350-M369 WeakPolarHBondContact CG1-O 3.38Å; V350-M369 PolarHBondContact O-N 3.37Å; Y367-M369 HydrophobicContact CD2-CE 4.16Å; Y367-M369 HydrophobicContact CD2-CG 3.94Å; Y367-M369 HydrophobicContact CE2-CE 3.65Å; Y367-M369 HydrophobicContact CE2-CG 3.93Å; Y367-M369 HydrophobicContact CE2-SD 4.24Å; M369-Y378 HydrophobicContact CE-CD2 3.89Å; M369-Y378 HydrophobicContact CE-CG 3.98Å; M369-T420 HydrophobicContact CB-CG2 3.95Å; M369-T420 HydrophobicContact CG-CG2 3.88Å; M369-T420 HydrophobicContact SD-CG2 3.85Å; M369-R421 WeakPolarHBondContact CA-O 3.46Å; M369-F422 HydrophobicContact CE-CE1 4.18Å; M369-F422 HydrophobicContact CE-CZ 3.87Å; M369-F422 HydrophobicContact CG-CD1 4.2Å; M369-F422 HydrophobicContact CG-CE1 3.79Å; M369-F422 HydrophobicContact CG-CE2 4.39Å; M369-F422 HydrophobicContact CG-CZ 3.9Å
370	S	93.4	Very high	93.6	Very high	35 Å²	35	41.7 Å²	41.7	25%	0.245	23%	0.232	C	C	.	.	S	Bend	trans	-72.8	-37.7	174	-56.9	0	0	0	0	111.5	R421 E423	S370-R421 PolarHBondContact N-O 3.07Å; S370-E423 WeakPolarHBondContact CB-OE1 3.35Å; S370-E423 PolarHBondContact OG-OE1 3.15Å
371	D	83.1	Confident	93.6	Very high	96 Å²	96	37.2 Å²	37.2	51%	0.513	20%	0.204	S	C	.	.	S	Bend	trans	-135.9	151.9	-178.7	-64.5	-59.2	0	0	0	110.6
372	N	74.7	Confident	93.7	Very high	97 Å²	97	37.2 Å²	37.2	52%	0.519	20%	0.204	S	C	.	.			trans	-103.2	89	173.5	-162.9	0.7	0	0	0	110.3	V350 T374	V350-N372 HydrophobicContact CG2-CB 3.52Å; V350-N372 WeakPolarHBondContact CG2-ND2 3.37Å; N372-T374 PolarHBondContact O-N 3.01Å
373	L	79.9	Confident	93.7	Very high	57 Å²	57	36.2 Å²	36.2	30%	0.298	20%	0.196	S	C	.	.			trans	-83.6	114.8	177	-64.2	178.3	0	0	0	109.5	D375 E376	L373-D375 PolarHBondContact O-N 3.5Å; L373-D375 VanDerWaalsContact O-N 3.15Å; L373-E376 HydrophobicContact CB-CB 4.34Å; L373-E376 HydrophobicContact CB-CG 4.46Å; L373-E376 PolarHBondContact O-N 2.94Å
374	T	79	Confident	93.7	Very high	135 Å²	135	36.2 Å²	36.2	83%	0.828	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.7	-175.6	51.2	0	0	0	0	114	N372	N372-T374 PolarHBondContact O-N 3.01Å
375	D	89.2	Confident	93.7	Very high	113 Å²	113	35.7 Å²	35.7	60%	0.604	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-5.3	-179.3	59.6	-32.2	0	0	0	113.9	L373 T406	L373-D375 PolarHBondContact O-N 3.5Å; L373-D375 VanDerWaalsContact O-N 3.15Å; D375-T406 VanDerWaalsContact O-CG2 3.31Å; D375-T406 WeakPolarHBondContact O-CG2 3.28Å
376	E	94.5	Very high	93.8	Very high	26 Å²	26	38.1 Å²	38.1	12%	0.121	21%	0.207	C	C	.	.			trans	-109.5	136.2	171.2	-66.2	-160.1	147.5	0	0	111.4	L373 Y378 A418 S419 T420	L373-E376 HydrophobicContact CB-CB 4.34Å; L373-E376 HydrophobicContact CB-CG 4.46Å; L373-E376 PolarHBondContact O-N 2.94Å; E376-Y378 HydrophobicContact CB-CE2 4.3Å; E376-A418 VanDerWaalsContact OE1-CA 3.3Å; E376-A418 WeakPolarHBondContact OE1-CA 3.39Å; E376-S419 VanDerWaalsContact CD-N 3.3Å; E376-S419 PolarHBondContact OE1-N 3.42Å; E376-S419 PolarHBondContact OE2-N 2.96Å; E376-S419 VanDerWaalsContact OE2-N 3.09Å; E376-T420 WeakPolarHBondContact OE2-CB 3.19Å; E376-T420 PolarHBondContact OE2-N 2.99Å; E376-T420 PolarHBondContact OE2-OG1 2.83Å
377	V	96.9	Very high	93.8	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.048	20%	0.196	C	C	.	.			trans	-120	132.1	178.4	176.8	0	0	0	0	109.1	K346 C403 T406 L408	K346-V377 HydrophobicContact CD-CG1 4.35Å; K346-V377 HydrophobicContact CG-CG1 4.06Å; V377-C403 HydrophobicContact CB-CB 4.3Å; V377-C403 HydrophobicContact CG1-CB 4.46Å; V377-C403 PolarHBondContact O-N 3.5Å; V377-T406 HydrophobicContact CG2-CG2 4.28Å; V377-L408 HydrophobicContact CG1-CD2 3.89Å
378	Y	97.9	Very high	93.6	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	149.5	170.4	-72.1	-102.2	0	0	0	110.5	L347 M369 E376 L400 L401 K402 T420 F422 V470	L347-Y378 PolarHBondContact N-O 2.03Å; M369-Y378 HydrophobicContact CE-CD2 3.89Å; M369-Y378 HydrophobicContact CE-CG 3.98Å; E376-Y378 HydrophobicContact CB-CE2 4.3Å; Y378-L400 HydrophobicContact CD1-CD1 4.03Å; Y378-L401 VanDerWaalsContact CA-O 3.29Å; Y378-L401 WeakPolarHBondContact CA-O 3.03Å; Y378-K402 HydrophobicContact CD1-CB 4.08Å; Y378-K402 HydrophobicContact CE1-CB 3.56Å; Y378-K402 HydrophobicContact CE1-CG 4.11Å; Y378-K402 HydrophobicContact CE2-CB 4.39Å; Y378-K402 HydrophobicContact CE2-CG 4.03Å; Y378-T420 HydrophobicContact CE2-CG2 4.01Å; Y378-T420 WeakPolarHBondContact OH-CB 3.44Å; Y378-F422 HydrophobicContact CD1-CE2 4.08Å; Y378-F422 AromaticContact CD1-CZ 3.8Å; Y378-F422 HydrophobicContact CD1-CZ 3.8Å; Y378-F422 AromaticContact CE1-CE2 3.69Å; Y378-F422 HydrophobicContact CE1-CE2 3.69Å; Y378-F422 AromaticContact CE1-CZ 3.92Å; Y378-F422 HydrophobicContact CE1-CZ 3.92Å; Y378-F422 HydrophobicContact CG-CZ 4.17Å; Y378-F422 AromaticContact CZ-CE2 3.97Å; Y378-V470 WeakPolarHBondContact CE1-O 3.32Å; Y378-V470 PolarHBondContact OH-O 2.8Å
379	A	98.3	Very high	93.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.2	176.9	0	0	0	0	0	110.9	F333 F344 V345 L400 L401 C411	F333-A379 HydrophobicContact CZ-CB 4.04Å; F344-A379 HydrophobicContact CB-CB 4.4Å; F344-A379 HydrophobicContact CD1-CB 3.67Å; F344-A379 HydrophobicContact CE1-CB 4.33Å; F344-A379 HydrophobicContact CG-CB 4.31Å; V345-A379 VanDerWaalsContact O-CA 3.29Å; V345-A379 WeakPolarHBondContact O-CA 3.26Å; A379-L400 WeakPolarHBondContact O-CA 3.04Å; A379-L401 PolarHBondContact N-O 3.45Å; A379-L401 PolarHBondContact O-N 2.91Å; A379-C411 HydrophobicContact CB-CB 4.46Å
380	L	98.8	Very high	93.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.6	165.9	173.8	68.3	0	0	0	108	F344 V345 L347 V356 C363 L365 T399 L427	F344-L380 CarbonylContact C-O 3.59Å; F344-L380 VanDerWaalsContact CA-O 3.27Å; F344-L380 WeakPolarHBondContact CA-O 3.05Å; F344-L380 WeakPolarHBondContact CD1-O 3.26Å; V345-L380 HydrophobicContact CG1-CB 3.86Å; V345-L380 HydrophobicContact CG1-CD2 4.29Å; V345-L380 HydrophobicContact CG1-CG 4.45Å; V345-L380 PolarHBondContact N-O 2.87Å; V345-L380 PolarHBondContact O-N 3.06Å; L347-L380 HydrophobicContact CD1-CB 3.99Å; V356-L380 HydrophobicContact CG1-CD2 3.92Å; V356-L380 HydrophobicContact CG1-CG 3.73Å; C363-L380 HydrophobicContact CB-CD1 4.38Å; L365-L380 HydrophobicContact CB-CD1 3.9Å; L365-L380 HydrophobicContact CB-CD2 3.82Å; L365-L380 HydrophobicContact CB-CG 4.35Å; L365-L380 HydrophobicContact CD2-CB 4.36Å; L365-L380 HydrophobicContact CD2-CD1 4.34Å; L380-T399 CarbonylContact C-O 3.56Å; L380-T399 WeakPolarHBondContact CA-O 3.39Å; L380-L427 HydrophobicContact CD1-CD1 3.75Å
381	G	98.6	Very high	93	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.7	-178.7	0	0	0	0	0	113.6	T343 F344 T399	T343-G381 WeakPolarHBondContact O-CA 3.24Å; F344-G381 VanDerWaalsContact CE1-CA 3.41Å; G381-T399 PolarHBondContact N-O 2.88Å; G381-T399 PolarHBondContact O-N 3.07Å
382	A	98.8	Very high	93.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.3	169.7	0	0	0	0	0	110.8	T343 V356 Q358 C363 I397	T343-A382 PolarHBondContact N-O 2.95Å; T343-A382 PolarHBondContact O-N 3.47Å; V356-A382 HydrophobicContact CG1-CB 4.01Å; Q358-A382 HydrophobicContact CB-CB 4.13Å; C363-A382 HydrophobicContact CB-CB 4.33Å; C363-A382 VanDerWaalsContact SG-CB 3.52Å; A382-I397 CarbonylContact C-O 3.49Å; A382-I397 WeakPolarHBondContact CA-O 3.38Å
383	F	98.9	Very high	94.7	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.057	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.3	168.6	-177.7	-114.8	0	0	0	111.9	D340 F342 L361 L395 Q396 I397	D340-F383 HydrophobicContact CB-CD1 4.43Å; D340-F383 HydrophobicContact CB-CD2 4.14Å; D340-F383 HydrophobicContact CB-CE1 3.98Å; D340-F383 HydrophobicContact CB-CE2 3.68Å; D340-F383 HydrophobicContact CB-CZ 3.58Å; D340-F383 VanDerWaalsContact CG-CZ 3.47Å; F342-F383 HydrophobicContact CD1-CB 3.68Å; F342-F383 HydrophobicContact CD2-CB 3.74Å; F342-F383 HydrophobicContact CD2-CD2 4.07Å; F342-F383 HydrophobicContact CD2-CG 4.04Å; F342-F383 HydrophobicContact CE1-CB 3.43Å; F342-F383 VanDerWaalsContact CE1-CB 3.43Å; F342-F383 HydrophobicContact CE1-CG 4.5Å; F342-F383 HydrophobicContact CE2-CB 3.48Å; F342-F383 VanDerWaalsContact CE2-CB 3.48Å; F342-F383 HydrophobicContact CE2-CD1 4.19Å; F342-F383 HydrophobicContact CE2-CD2 4.12Å; F342-F383 AromaticContact CE2-CG 3.69Å; F342-F383 HydrophobicContact CE2-CG 3.69Å; F342-F383 HydrophobicContact CG-CB 3.84Å; F342-F383 HydrophobicContact CZ-CB 3.33Å; F342-F383 HydrophobicContact CZ-CD1 4.36Å; F342-F383 AromaticContact CZ-CG 3.97Å; F342-F383 HydrophobicContact CZ-CG 3.97Å; L361-F383 WeakPolarHBondContact CD2-O 3.37Å; F383-L395 HydrophobicContact CD1-CB 3.84Å; F383-L395 HydrophobicContact CE1-CB 3.81Å; F383-L395 HydrophobicContact CE1-CD1 4.22Å; F383-L395 HydrophobicContact CE1-CG 4.41Å; F383-Q396 CarbonylContact O-C 2.98Å; F383-Q396 VanDerWaalsContact O-CA 3.24Å; F383-Q396 WeakPolarHBondContact O-CA 3.49Å; F383-I397 HydrophobicContact CB-CB 4.31Å; F383-I397 PolarHBondContact N-O 3.47Å; F383-I397 PolarHBondContact O-N 2.98Å
384	D	98.7	Very high	95.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	94.7	174	-177.9	16.3	0	0	0	108.1	Q358 K359 T360 L361 Y394 L395 Q396	Q358-D384 VanDerWaalsContact O-CB 3.32Å; Q358-D384 WeakPolarHBondContact O-CB 3.35Å; K359-D384 HydrophobicContact CB-CB 4.13Å; K359-D384 VanDerWaalsContact CB-OD2 3.29Å; K359-D384 WeakPolarHBondContact CB-OD2 3.2Å; K359-D384 HydrophobicContact CD-CB 4.49Å; K359-D384 VanDerWaalsContact CD-O 3.27Å; K359-D384 WeakPolarHBondContact CD-O 3.23Å; K359-D384 VanDerWaalsContact CE-O 3.29Å; K359-D384 WeakPolarHBondContact CE-O 3.43Å; K359-D384 PolarHBondContact NZ-O 3.26Å; T360-D384 WeakPolarHBondContact CB-OD2 3.31Å; T360-D384 PolarHBondContact N-OD2 3.22Å; T360-D384 PolarHBondContact OG1-OD2 3.23Å; L361-D384 HydrophobicContact CB-CB 4.03Å; D384-Y394 WeakPolarHBondContact OD1-CE1 3.15Å; D384-Y394 PolarHBondContact OD1-OH 3.1Å; D384-L395 WeakPolarHBondContact CA-O 3.47Å; D384-Q396 HydrophobicContact CB-CG 4.17Å; D384-Q396 VanDerWaalsContact CG-NE2 3.32Å; D384-Q396 VanDerWaalsContact OD1-CG 3.29Å; D384-Q396 WeakPolarHBondContact OD1-CG 3.44Å; D384-Q396 PolarHBondContact OD1-NE2 3.23Å; D384-Q396 PolarHBondContact OD2-NE2 2.58Å
385	G	98.4	Very high	96.6	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	170.6	-167.8	0	0	0	0	0	115.8	Y394 L395	G385-Y394 WeakPolarHBondContact O-CA 3.03Å; G385-L395 PolarHBondContact N-O 3.37Å; G385-L395 PolarHBondContact O-N 2.87Å
386	L	98.4	Very high	97	Very high	54 Å²	54	23.1 Å²	23.1	28%	0.283	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.6	175.8	-178.1	69.8	0	0	0	109.1	T388 R392 Y394	L386-T388 HydrophobicContact CD2-CG2 3.95Å; L386-T388 HydrophobicContact CG-CG2 3.94Å; L386-R392 HydrophobicContact CD1-CG 4.01Å; L386-R392 HydrophobicContact CD2-CG 4.39Å; L386-R392 HydrophobicContact CG-CG 4.45Å; L386-Y394 HydrophobicContact CB-CD2 3.99Å; L386-Y394 HydrophobicContact CB-CE2 4.42Å; L386-Y394 HydrophobicContact CD1-CD2 4.3Å
387	H	97.8	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.5	167	-174.6	87.5	0	0	0	109.7	F338 D340 V389 R392 Y393 L395	F338-H387 AromaticContact CD1-CE1 3.25Å; F338-H387 WeakPolarHBondContact CD1-CE1 3.31Å; F338-H387 AromaticContact CD1-NE2 3.89Å; F338-H387 AromaticContact CE1-CE1 3.23Å; F338-H387 WeakPolarHBondContact CE1-CE1 3.5Å; F338-H387 AromaticContact CE1-NE2 3.35Å; F338-H387 WeakPolarHBondContact CE1-NE2 3.49Å; F338-H387 AromaticContact CZ-NE2 3.95Å; F338-H387 PolarHBondContact O-CE1 3.25Å; F338-H387 VanDerWaalsContact O-CE1 3.23Å; D340-H387 VanDerWaalsContact CG-ND1 3.34Å; D340-H387 IonicContact OD1-CG 2.81Å; D340-H387 IonicContact OD1-ND1 3.56Å; D340-H387 PolarHBondContact OD1-ND1 2.86Å; D340-H387 IonicContact OD2-CE1 2.74Å; D340-H387 IonicContact OD2-CG 3.37Å; D340-H387 IonicContact OD2-ND1 3.66Å; D340-H387 PolarHBondContact OD2-ND1 3.43Å; H387-V389 PolarHBondContact CD2-O 3.35Å; H387-V389 VanDerWaalsContact CD2-O 3.31Å; H387-V389 PolarHBondContact NE2-O 3.47Å; H387-R392 WeakPolarHBondContact O-CA 3.43Å; H387-Y393 HydrophobicContact CB-CD2 3.64Å; H387-Y393 HydrophobicContact CB-CE2 3.63Å; H387-Y393 HydrophobicContact CB-CG 4.48Å; H387-Y393 VanDerWaalsContact CB-O 3.28Å; H387-Y393 WeakPolarHBondContact CB-O 3.38Å; H387-Y393 AromaticContact CD2-CE1 3.97Å; H387-Y393 AromaticContact CD2-CE2 3.32Å; H387-Y393 WeakPolarHBondContact CD2-CE2 3.24Å; H387-Y393 AromaticContact CD2-CZ 3.27Å; H387-Y393 PolarHBondContact CD2-OH 2.97Å; H387-Y393 AromaticContact CG-CE2 3.48Å; H387-Y393 VanDerWaalsContact CG-CE2 3.48Å; H387-Y393 AromaticContact CG-CZ 3.94Å; H387-Y393 PolarHBondContact N-O 3.39Å; H387-Y393 AromaticContact NE2-CZ 3.86Å; H387-Y393 PolarHBondContact NE2-OH 3.5Å; H387-Y393 PolarHBondContact O-N 2.96Å; H387-Y393 VanDerWaalsContact O-N 3.12Å; H387-L395 HydrophobicContact CB-CD1 3.88Å; H387-L395 HydrophobicContact CB-CG 4.29Å
388	T	95.8	Very high	97.3	Very high	93 Å²	93	21.7 Å²	21.7	57%	0.571	11%	0.113	S	C	*	.			trans	-136.8	-4.2	-173.9	59.8	0	0	0	0	115.5	L386 G391	L386-T388 HydrophobicContact CD2-CG2 3.95Å; L386-T388 HydrophobicContact CG-CG2 3.94Å; T388-G391 CarbonylContact C-O 3.5Å; T388-G391 WeakPolarHBondContact CA-O 3.39Å
389	V	93.9	Very high	97.4	Very high	48 Å²	48	21.5 Å²	21.5	29%	0.291	11%	0.112	S	C	.	.	S	Bend	trans	-91.7	133.5	-179.1	179	0	0	0	0	108.3	F339 H387 G391	F339-V389 HydrophobicContact CB-CB 4.18Å; F339-V389 HydrophobicContact CB-CG2 3.69Å; F339-V389 HydrophobicContact CD1-CG2 4.45Å; F339-V389 HydrophobicContact CD2-CB 3.8Å; F339-V389 HydrophobicContact CD2-CG1 3.53Å; F339-V389 HydrophobicContact CD2-CG2 4.13Å; F339-V389 HydrophobicContact CE2-CB 4.44Å; F339-V389 HydrophobicContact CE2-CG1 3.68Å; F339-V389 HydrophobicContact CG-CB 4.05Å; F339-V389 HydrophobicContact CG-CG1 4Å; F339-V389 HydrophobicContact CG-CG2 3.84Å; F339-V389 HydrophobicContact CZ-CG1 4.25Å; H387-V389 PolarHBondContact CD2-O 3.35Å; H387-V389 VanDerWaalsContact CD2-O 3.31Å; H387-V389 PolarHBondContact NE2-O 3.47Å; V389-G391 PolarHBondContact O-N 3.5Å
390	E	90.5	Very high	97.4	Very high	74 Å²	74	21.5 Å²	21.5	35%	0.346	11%	0.112	S	C	.	.	S	Bend	trans	56.5	14.6	178.7	-61.2	173.7	-165.5	0	0	115.3	F182 M183 F212	F182-E390 HydrophobicContact CE2-CB 4.23Å; F182-E390 HydrophobicContact CZ-CB 4.31Å; M183-E390 HydrophobicContact CE-CG 3.92Å; F212-E390 WeakPolarHBondContact CZ-O 3.28Å
391	G	92.1	Very high	97.4	Very high	22 Å²	22	21.6 Å²	21.6	23%	0.227	11%	0.113	C	C	.	.	S	Bend	trans	161.9	169	-176.9	0	0	0	0	0	111	T388 V389	T388-G391 CarbonylContact C-O 3.5Å; T388-G391 WeakPolarHBondContact CA-O 3.39Å; V389-G391 PolarHBondContact O-N 3.5Å
392	R	96.2	Very high	97.4	Very high	95 Å²	95	22.9 Å²	22.9	36%	0.358	12%	0.119	S	C	.	.			trans	-132.3	110.6	177.9	-176.6	178.9	176.4	139.4	6.2	110.7	L386 H387 D483	L386-R392 HydrophobicContact CD1-CG 4.01Å; L386-R392 HydrophobicContact CD2-CG 4.39Å; L386-R392 HydrophobicContact CG-CG 4.45Å; H387-R392 WeakPolarHBondContact O-CA 3.43Å; R392-D483 PolarHBondContact NE-O 3.35Å
393	Y	97.3	Very high	97.4	Very high	5 Å²	5	22.9 Å²	22.9	2%	0.02	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	140.2	-176	37.9	-99.2	0	0	0	112.5	F212 L215 F216 H387 L395 D483	F212-Y393 HydrophobicContact CE2-CE1 4.38Å; F212-Y393 HydrophobicContact CZ-CE1 4.08Å; L215-Y393 HydrophobicContact CD1-CE1 4.29Å; F216-Y393 HydrophobicContact CE1-CD1 4.24Å; F216-Y393 HydrophobicContact CZ-CD1 4.09Å; H387-Y393 HydrophobicContact CB-CD2 3.64Å; H387-Y393 HydrophobicContact CB-CE2 3.63Å; H387-Y393 HydrophobicContact CB-CG 4.48Å; H387-Y393 VanDerWaalsContact CB-O 3.28Å; H387-Y393 WeakPolarHBondContact CB-O 3.38Å; H387-Y393 AromaticContact CD2-CE1 3.97Å; H387-Y393 AromaticContact CD2-CE2 3.32Å; H387-Y393 WeakPolarHBondContact CD2-CE2 3.24Å; H387-Y393 AromaticContact CD2-CZ 3.27Å; H387-Y393 PolarHBondContact CD2-OH 2.97Å; H387-Y393 AromaticContact CG-CE2 3.48Å; H387-Y393 VanDerWaalsContact CG-CE2 3.48Å; H387-Y393 AromaticContact CG-CZ 3.94Å; H387-Y393 PolarHBondContact N-O 3.39Å; H387-Y393 AromaticContact NE2-CZ 3.86Å; H387-Y393 PolarHBondContact NE2-OH 3.5Å; H387-Y393 PolarHBondContact O-N 2.96Å; H387-Y393 VanDerWaalsContact O-N 3.12Å; Y393-L395 HydrophobicContact CD2-CD1 4.14Å; Y393-L395 HydrophobicContact CD2-CD2 3.73Å; Y393-L395 HydrophobicContact CD2-CG 4.02Å; Y393-L395 HydrophobicContact CE2-CD1 4.11Å; Y393-L395 HydrophobicContact CE2-CD2 4.29Å; Y393-L395 HydrophobicContact CE2-CG 4.48Å; Y393-D483 WeakPolarHBondContact CA-OD1 3.35Å
394	Y	98.7	Very high	97.3	Very high	35 Å²	35	27.6 Å²	27.6	14%	0.137	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128	-178.6	-156.9	-74.7	0	0	0	112.6	D384 G385 L386 R478 L479 K482 D483	D384-Y394 WeakPolarHBondContact OD1-CE1 3.15Å; D384-Y394 PolarHBondContact OD1-OH 3.1Å; G385-Y394 WeakPolarHBondContact O-CA 3.03Å; L386-Y394 HydrophobicContact CB-CD2 3.99Å; L386-Y394 HydrophobicContact CB-CE2 4.42Å; L386-Y394 HydrophobicContact CD1-CD2 4.3Å; Y394-R478 PolarHBondContact O-NH1 2.99Å; Y394-L479 HydrophobicContact CD1-CB 3.9Å; Y394-L479 HydrophobicContact CD1-CD1 4.19Å; Y394-L479 HydrophobicContact CD1-CD2 4.2Å; Y394-L479 HydrophobicContact CD1-CG 4.31Å; Y394-L479 HydrophobicContact CE1-CD2 4.23Å; Y394-L479 HydrophobicContact CG-CB 4.39Å; Y394-L479 PolarHBondContact O-N 3.32Å; Y394-L479 VanDerWaalsContact O-N 3.16Å; Y394-K482 HydrophobicContact CD1-CB 4.24Å; Y394-K482 HydrophobicContact CD1-CD 4.02Å; Y394-K482 HydrophobicContact CD2-CB 3.56Å; Y394-K482 HydrophobicContact CD2-CD 4.06Å; Y394-K482 HydrophobicContact CD2-CG 4.48Å; Y394-K482 HydrophobicContact CE1-CD 3.93Å; Y394-K482 HydrophobicContact CE2-CB 4.24Å; Y394-K482 HydrophobicContact CE2-CD 3.97Å; Y394-K482 HydrophobicContact CG-CB 3.55Å; Y394-K482 HydrophobicContact CG-CD 4.08Å; Y394-K482 HydrophobicContact CG-CG 4.49Å; Y394-D483 PolarHBondContact N-OD1 3.06Å
395	L	98.8	Very high	97.2	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.026	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.8	-173.7	-52.4	177.1	0	0	0	111.2	F383 D384 G385 H387 Y393 I397 F476 G477	F383-L395 HydrophobicContact CD1-CB 3.84Å; F383-L395 HydrophobicContact CE1-CB 3.81Å; F383-L395 HydrophobicContact CE1-CD1 4.22Å; F383-L395 HydrophobicContact CE1-CG 4.41Å; D384-L395 WeakPolarHBondContact CA-O 3.47Å; G385-L395 PolarHBondContact N-O 3.37Å; G385-L395 PolarHBondContact O-N 2.87Å; H387-L395 HydrophobicContact CB-CD1 3.88Å; H387-L395 HydrophobicContact CB-CG 4.29Å; Y393-L395 HydrophobicContact CD2-CD1 4.14Å; Y393-L395 HydrophobicContact CD2-CD2 3.73Å; Y393-L395 HydrophobicContact CD2-CG 4.02Å; Y393-L395 HydrophobicContact CE2-CD1 4.11Å; Y393-L395 HydrophobicContact CE2-CD2 4.29Å; Y393-L395 HydrophobicContact CE2-CG 4.48Å; L395-I397 HydrophobicContact CB-CD1 4.08Å; L395-I397 HydrophobicContact CB-CG1 4.15Å; L395-I397 HydrophobicContact CD1-CD1 3.91Å; L395-I397 HydrophobicContact CG-CD1 4.49Å; L395-F476 HydrophobicContact CD1-CZ 4.14Å; L395-F476 HydrophobicContact CD2-CE1 3.58Å; L395-F476 HydrophobicContact CD2-CZ 3.64Å; L395-F476 HydrophobicContact CG-CZ 4.49Å; L395-G477 WeakPolarHBondContact CA-O 3.33Å
396	Q	98.9	Very high	97.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.5	157.1	-83.9	-173.4	-12.8	0	0	107.8	T360 L361 F383 D384 F431 G477 L479	T360-Q396 PolarHBondContact OG1-NE2 3.12Å; T360-Q396 VanDerWaalsContact OG1-NE2 3.17Å; L361-Q396 HydrophobicContact CD1-CB 4.48Å; L361-Q396 HydrophobicContact CD2-CB 3.99Å; L361-Q396 HydrophobicContact CD2-CG 4.38Å; F383-Q396 CarbonylContact O-C 2.98Å; F383-Q396 VanDerWaalsContact O-CA 3.24Å; F383-Q396 WeakPolarHBondContact O-CA 3.49Å; D384-Q396 HydrophobicContact CB-CG 4.17Å; D384-Q396 VanDerWaalsContact CG-NE2 3.32Å; D384-Q396 VanDerWaalsContact OD1-CG 3.29Å; D384-Q396 WeakPolarHBondContact OD1-CG 3.44Å; D384-Q396 PolarHBondContact OD1-NE2 3.23Å; D384-Q396 PolarHBondContact OD2-NE2 2.58Å; Q396-F431 HydrophobicContact CB-CD1 3.94Å; Q396-F431 HydrophobicContact CB-CE1 4.2Å; Q396-F431 WeakPolarHBondContact O-CE1 3.44Å; Q396-G477 PolarHBondContact N-O 3.42Å; Q396-G477 WeakPolarHBondContact O-CA 3.43Å; Q396-G477 PolarHBondContact O-N 3.2Å; Q396-L479 HydrophobicContact CB-CD1 3.78Å; Q396-L479 HydrophobicContact CG-CD1 3.58Å
397	I	98.9	Very high	97	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.4	-173.4	-58.6	175.2	0	0	0	110.1	F342 L361 A382 F383 L395 T474 L475 F476	F342-I397 HydrophobicContact CE1-CB 3.99Å; F342-I397 HydrophobicContact CE1-CG2 3.9Å; F342-I397 HydrophobicContact CZ-CB 4.01Å; F342-I397 HydrophobicContact CZ-CD1 4.03Å; F342-I397 HydrophobicContact CZ-CG2 4.1Å; L361-I397 WeakPolarHBondContact CD2-O 3.41Å; A382-I397 CarbonylContact C-O 3.49Å; A382-I397 WeakPolarHBondContact CA-O 3.38Å; F383-I397 HydrophobicContact CB-CB 4.31Å; F383-I397 PolarHBondContact N-O 3.47Å; F383-I397 PolarHBondContact O-N 2.98Å; L395-I397 HydrophobicContact CB-CD1 4.08Å; L395-I397 HydrophobicContact CB-CG1 4.15Å; L395-I397 HydrophobicContact CD1-CD1 3.91Å; L395-I397 HydrophobicContact CG-CD1 4.49Å; I397-T474 HydrophobicContact CG2-CG2 3.58Å; I397-L475 WeakPolarHBondContact CA-O 3.42Å; I397-F476 HydrophobicContact CD1-CD2 3.68Å; I397-F476 HydrophobicContact CD1-CE2 3.55Å; I397-F476 HydrophobicContact CD1-CG 4.35Å; I397-F476 HydrophobicContact CD1-CZ 4.14Å; I397-F476 HydrophobicContact CG1-CD2 4.13Å; I397-F476 HydrophobicContact CG1-CE2 4.4Å; I397-F476 HydrophobicContact CG1-CG 4.36Å
398	C	98.9	Very high	97	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.6	163.6	-66.8	0	0	0	0	108.7	C363 L427 F431 T474 L475	C363-C398 VanDerWaalsContact CA-SG 3.52Å; C363-C398 HydrophobicContact CB-CB 3.62Å; C363-C398 WeakPolarHBondContact CB-SG 3.39Å; C363-C398 WeakPolarHBondContact SG-CA 3.34Å; C363-C398 WeakPolarHBondContact SG-CB 3.38Å; C363-C398 CovalentContact SG-SG 2.03Å; C363-C398 PolarHBondContact SG-SG 3Å; C398-L427 HydrophobicContact CB-CD1 4.23Å; C398-L427 HydrophobicContact CB-CD2 4.38Å; C398-L427 HydrophobicContact CB-CG 4.41Å; C398-F431 HydrophobicContact CB-CZ 4.04Å; C398-T474 CarbonylContact O-C 3.52Å; C398-T474 WeakPolarHBondContact O-CA 3.49Å; C398-T474 WeakPolarHBondContact O-CG2 3.4Å; C398-L475 HydrophobicContact CB-CB 4.43Å; C398-L475 PolarHBondContact N-O 3.45Å; C398-L475 VanDerWaalsContact N-O 3.14Å; C398-L475 PolarHBondContact O-N 2.78Å
399	T	98.9	Very high	97	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	129.9	-175.7	-174.1	0	0	0	0	112.1	H244 F342 F344 L380 G381 L401 T472 T474	H244-T399 PolarHBondContact NE2-OG1 2.84Å; F342-T399 HydrophobicContact CD1-CG2 4.16Å; F342-T399 HydrophobicContact CE1-CG2 3.89Å; F344-T399 HydrophobicContact CE1-CG2 4.16Å; L380-T399 CarbonylContact C-O 3.56Å; L380-T399 WeakPolarHBondContact CA-O 3.39Å; G381-T399 PolarHBondContact N-O 2.88Å; G381-T399 PolarHBondContact O-N 3.07Å; T399-L401 HydrophobicContact CG2-CD2 3.84Å; T399-L401 HydrophobicContact CG2-CG 4.4Å; T399-T472 PolarHBondContact OG1-OG1 2.9Å; T399-T474 WeakPolarHBondContact CB-OG1 3.09Å; T399-T474 PolarHBondContact OG1-OG1 3.31Å
400	L	98.8	Very high	97.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.5	157.4	161.8	63.7	0	0	0	106.5	L347 L365 Y378 A379 F422 T472 V473	L347-L400 HydrophobicContact CD1-CD1 4.45Å; L347-L400 HydrophobicContact CD2-CD1 3.58Å; L365-L400 HydrophobicContact CD1-CB 4.46Å; L365-L400 HydrophobicContact CD1-CD2 4.19Å; L365-L400 HydrophobicContact CD2-CB 4.14Å; L365-L400 HydrophobicContact CD2-CD1 3.91Å; L365-L400 HydrophobicContact CD2-CD2 4.13Å; L365-L400 HydrophobicContact CD2-CG 4.28Å; Y378-L400 HydrophobicContact CD1-CD1 4.03Å; A379-L400 WeakPolarHBondContact O-CA 3.04Å; L400-F422 HydrophobicContact CD1-CZ 4.39Å; L400-F422 HydrophobicContact CD2-CD1 4.35Å; L400-F422 HydrophobicContact CD2-CE1 3.72Å; L400-F422 HydrophobicContact CD2-CZ 3.96Å; L400-T472 CarbonylContact O-C 3.43Å; L400-T472 WeakPolarHBondContact O-CA 3.39Å; L400-T472 PolarHBondContact O-OG1 2.89Å; L400-V473 HydrophobicContact CB-CB 4.29Å; L400-V473 HydrophobicContact CD2-CB 4.38Å; L400-V473 HydrophobicContact CD2-CG2 4.37Å; L400-V473 PolarHBondContact N-O 2.94Å; L400-V473 PolarHBondContact O-N 2.86Å
401	L	98.8	Very high	97.5	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.2	179.7	60.5	76.5	0	0	0	113.3	P243 V337 F344 Y378 A379 T399 C411 L471	P243-L401 HydrophobicContact CG-CD2 4.21Å; V337-L401 HydrophobicContact CG2-CD2 4.44Å; F344-L401 HydrophobicContact CE1-CD1 4.3Å; F344-L401 HydrophobicContact CE1-CD2 4.01Å; F344-L401 HydrophobicContact CE1-CG 4.1Å; F344-L401 HydrophobicContact CZ-CD2 3.94Å; F344-L401 HydrophobicContact CZ-CG 4.46Å; Y378-L401 VanDerWaalsContact CA-O 3.29Å; Y378-L401 WeakPolarHBondContact CA-O 3.03Å; A379-L401 PolarHBondContact N-O 3.45Å; A379-L401 PolarHBondContact O-N 2.91Å; T399-L401 HydrophobicContact CG2-CD2 3.84Å; T399-L401 HydrophobicContact CG2-CG 4.4Å; L401-C411 HydrophobicContact CD1-CB 4.21Å; L401-L471 WeakPolarHBondContact CA-O 3.11Å
402	K	98.4	Very high	97.8	Very high	26 Å²	26	36.8 Å²	36.8	11%	0.113	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	124.6	169	-169.8	-113.1	-177.5	174	0	109.4	Y378 V415 T417 A418 L471	Y378-K402 HydrophobicContact CD1-CB 4.08Å; Y378-K402 HydrophobicContact CE1-CB 3.56Å; Y378-K402 HydrophobicContact CE1-CG 4.11Å; Y378-K402 HydrophobicContact CE2-CB 4.39Å; Y378-K402 HydrophobicContact CE2-CG 4.03Å; K402-V415 HydrophobicContact CD-CB 4.38Å; K402-V415 HydrophobicContact CD-CG1 3.57Å; K402-V415 HydrophobicContact CD-CG2 4.44Å; K402-T417 PolarHBondContact NZ-O 2.81Å; K402-A418 HydrophobicContact CD-CB 4.08Å; K402-A418 HydrophobicContact CG-CB 4.17Å; K402-L471 PolarHBondContact N-O 3.34Å
403	C	98.3	Very high	97.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	18%	0.179	C	C	.	.			trans	-72.9	146.6	173.7	-50.2	0	0	0	0	110.1	V377 T405 C411	V377-C403 HydrophobicContact CB-CB 4.3Å; V377-C403 HydrophobicContact CG1-CB 4.46Å; V377-C403 PolarHBondContact O-N 3.5Å; C403-T405 VanDerWaalsContact C-N 3.27Å; C403-T405 PolarHBondContact O-N 2.8Å; C403-C411 HydrophobicContact CB-CB 3.93Å; C403-C411 WeakPolarHBondContact CB-SG 3.41Å; C403-C411 WeakPolarHBondContact SG-CB 3.38Å; C403-C411 CovalentContact SG-SG 2.03Å; C403-C411 PolarHBondContact SG-SG 2.54Å
404	K	97.8	Very high	97.9	Very high	111 Å²	111	37.9 Å²	37.9	48%	0.483	20%	0.197	S	C	.	.	S	Bend	trans	-61.3	-37.4	-177.1	-176.9	172.7	-176.8	164	0	113	T410 D413 V415	K404-T410 PolarHBondContact N-O 3.42Å; K404-D413 HydrophobicContact CB-CB 3.91Å; K404-D413 HydrophobicContact CD-CB 3.71Å; K404-D413 HydrophobicContact CG-CB 4.49Å; K404-V415 VanDerWaalsContact CA-CG2 3.44Å; K404-V415 HydrophobicContact CB-CG2 3.71Å; K404-V415 HydrophobicContact CG-CG2 4.3Å
405	T	96.8	Very high	97.9	Very high	62 Å²	62	37 Å²	37	38%	0.38	20%	0.195	S	C	.	.	S	Bend	trans	-134.8	177	176.4	72.4	0	0	0	0	110.1	C403 N407 T410	C403-T405 VanDerWaalsContact C-N 3.27Å; C403-T405 PolarHBondContact O-N 2.8Å; T405-N407 PolarHBondContact O-N 2.96Å; T405-N407 WeakPolarHBondContact OG1-CB 3.43Å; T405-N407 PolarHBondContact OG1-N 2.98Å; T405-N407 VanDerWaalsContact OG1-N 3.15Å; T405-T410 HydrophobicContact CG2-CG2 4.41Å; T405-T410 PolarHBondContact N-OG1 2.97Å; T405-T410 PolarHBondContact O-OG1 3.18Å; T405-T410 WeakPolarHBondContact OG1-CG2 3.32Å; T405-T410 PolarHBondContact OG1-OG1 2.87Å
406	T	95.7	Very high	97.7	Very high	88 Å²	88	42.2 Å²	42.2	54%	0.54	22%	0.219	S	C	.	.	S	Bend	trans	-66.5	-12.6	171.9	54.6	0	0	0	0	113.6	D375 V377 L408	D375-T406 VanDerWaalsContact O-CG2 3.31Å; D375-T406 WeakPolarHBondContact O-CG2 3.28Å; V377-T406 HydrophobicContact CG2-CG2 4.28Å; T406-L408 PolarHBondContact O-N 3.24Å
407	N	96.5	Very high	97.7	Very high	86 Å²	86	46 Å²	46	46%	0.46	24%	0.242	S	C	.	.	S	Bend	trans	-78.1	119.4	173.8	-175.9	-13.4	0	0	0	110.5	T405 K409 T410	T405-N407 PolarHBondContact O-N 2.96Å; T405-N407 WeakPolarHBondContact OG1-CB 3.43Å; T405-N407 PolarHBondContact OG1-N 2.98Å; T405-N407 VanDerWaalsContact OG1-N 3.15Å; N407-K409 PolarHBondContact O-N 3.38Å; N407-K409 VanDerWaalsContact O-N 3.07Å; N407-K409 PolarHBondContact OD1-N 2.82Å; N407-T410 HydrophobicContact CB-CG2 4.33Å; N407-T410 WeakPolarHBondContact O-CB 3.26Å; N407-T410 PolarHBondContact O-N 2.84Å; N407-T410 PolarHBondContact O-OG1 2.87Å
408	L	96.6	Very high	97.6	Very high	58 Å²	58	46.2 Å²	46.2	30%	0.304	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-57.8	-25	-178	-60.7	-177.4	0	0	0	114.1	F333 K346 V377 T406 T410 C411	F333-L408 HydrophobicContact CD1-CD1 4.01Å; F333-L408 HydrophobicContact CD2-CB 3.98Å; F333-L408 HydrophobicContact CE1-CB 4.4Å; F333-L408 HydrophobicContact CE1-CD1 4.08Å; F333-L408 HydrophobicContact CE1-CD2 4.14Å; F333-L408 HydrophobicContact CE1-CG 4.44Å; F333-L408 HydrophobicContact CE2-CB 3.81Å; F333-L408 VanDerWaalsContact CE2-O 3.25Å; F333-L408 WeakPolarHBondContact CE2-O 3.4Å; F333-L408 HydrophobicContact CG-CB 4.36Å; F333-L408 HydrophobicContact CG-CD1 4.37Å; F333-L408 HydrophobicContact CZ-CB 4.02Å; F333-L408 HydrophobicContact CZ-CD2 4.01Å; F333-L408 HydrophobicContact CZ-CG 4.4Å; K346-L408 HydrophobicContact CB-CD2 4.34Å; K346-L408 HydrophobicContact CD-CD2 4.18Å; K346-L408 HydrophobicContact CG-CD2 4.29Å; V377-L408 HydrophobicContact CG1-CD2 3.89Å; T406-L408 PolarHBondContact O-N 3.24Å; L408-T410 PolarHBondContact O-N 3.08Å; L408-C411 WeakPolarHBondContact O-CB 3.48Å; L408-C411 PolarHBondContact O-N 3.48Å; L408-C411 PolarHBondContact O-SG 3.45Å
409	K	95.9	Very high	97.5	Very high	169 Å²	169	49.7 Å²	49.7	74%	0.735	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-65.3	-17.4	175.6	-65.4	-172.1	178	-173.6	0	113.7	N407	N407-K409 PolarHBondContact O-N 3.38Å; N407-K409 VanDerWaalsContact O-N 3.07Å; N407-K409 PolarHBondContact OD1-N 2.82Å
410	T	97.8	Very high	97.4	Very high	22 Å²	22	49.8 Å²	49.8	14%	0.135	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-95.1	3.8	180	69.8	0	0	0	0	113.1	K404 T405 N407 L408 G412 D413	K404-T410 PolarHBondContact N-O 3.42Å; T405-T410 HydrophobicContact CG2-CG2 4.41Å; T405-T410 PolarHBondContact N-OG1 2.97Å; T405-T410 PolarHBondContact O-OG1 3.18Å; T405-T410 WeakPolarHBondContact OG1-CG2 3.32Å; T405-T410 PolarHBondContact OG1-OG1 2.87Å; N407-T410 HydrophobicContact CB-CG2 4.33Å; N407-T410 WeakPolarHBondContact O-CB 3.26Å; N407-T410 PolarHBondContact O-N 2.84Å; N407-T410 PolarHBondContact O-OG1 2.87Å; L408-T410 PolarHBondContact O-N 3.08Å; T410-G412 PolarHBondContact O-N 3.29Å; T410-D413 WeakPolarHBondContact CA-OD2 3.42Å; T410-D413 VanDerWaalsContact CB-OD2 3.32Å; T410-D413 WeakPolarHBondContact CB-OD2 3.32Å; T410-D413 WeakPolarHBondContact O-CB 3.38Å; T410-D413 PolarHBondContact O-N 2.79Å
411	C	98.3	Very high	97.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	113	171.3	-58.6	0	0	0	0	108.9	F333 A379 L401 C403 L408	F333-C411 HydrophobicContact CE2-CB 4Å; F333-C411 HydrophobicContact CZ-CB 4.24Å; A379-C411 HydrophobicContact CB-CB 4.46Å; L401-C411 HydrophobicContact CD1-CB 4.21Å; C403-C411 HydrophobicContact CB-CB 3.93Å; C403-C411 WeakPolarHBondContact CB-SG 3.41Å; C403-C411 WeakPolarHBondContact SG-CB 3.38Å; C403-C411 CovalentContact SG-SG 2.03Å; C403-C411 PolarHBondContact SG-SG 2.54Å; L408-C411 WeakPolarHBondContact O-CB 3.48Å; L408-C411 PolarHBondContact O-N 3.48Å; L408-C411 PolarHBondContact O-SG 3.45Å
412	G	97.9	Very high	97.3	Very high	3 Å²	3	54.7 Å²	54.7	3%	0.031	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	112.6	-16.4	-173	0	0	0	0	0	114.7	T336 T410	T336-G412 CarbonylContact O-C 3.54Å; T336-G412 WeakPolarHBondContact O-CA 3.41Å; T410-G412 PolarHBondContact O-N 3.29Å
413	D	98.4	Very high	97.3	Very high	66 Å²	66	57.3 Å²	57.3	35%	0.353	30%	0.301	S	S	.	.	S	Bend	trans	-65.8	151.9	170.4	-69	-17.3	0	0	0	110.5	K404 T410 V415	K404-D413 HydrophobicContact CB-CB 3.91Å; K404-D413 HydrophobicContact CD-CB 3.71Å; K404-D413 HydrophobicContact CG-CB 4.49Å; T410-D413 WeakPolarHBondContact CA-OD2 3.42Å; T410-D413 VanDerWaalsContact CB-OD2 3.32Å; T410-D413 WeakPolarHBondContact CB-OD2 3.32Å; T410-D413 WeakPolarHBondContact O-CB 3.38Å; T410-D413 PolarHBondContact O-N 2.79Å; D413-V415 WeakPolarHBondContact O-CG2 3.38Å; D413-V415 PolarHBondContact O-N 3.42Å
414	S	97.6	Very high	97.3	Very high	56 Å²	56	61 Å²	61	39%	0.392	32%	0.319	S	S	.	.			trans	-57.3	130.2	175.5	173.4	0	0	0	0	112.4
415	V	97.1	Very high	97.4	Very high	17 Å²	17	55.9 Å²	55.9	10%	0.103	30%	0.297	C	S	.	.			trans	-136.1	122.5	178.4	-168.7	0	0	0	0	111.5	L242 K402 K404 D413 T417 L471	L242-V415 WeakPolarHBondContact CD1-O 3.39Å; K402-V415 HydrophobicContact CD-CB 4.38Å; K402-V415 HydrophobicContact CD-CG1 3.57Å; K402-V415 HydrophobicContact CD-CG2 4.44Å; K404-V415 VanDerWaalsContact CA-CG2 3.44Å; K404-V415 HydrophobicContact CB-CG2 3.71Å; K404-V415 HydrophobicContact CG-CG2 4.3Å; D413-V415 WeakPolarHBondContact O-CG2 3.38Å; D413-V415 PolarHBondContact O-N 3.42Å; V415-T417 VanDerWaalsContact CG1-O 3.25Å; V415-T417 WeakPolarHBondContact CG1-O 3.26Å; V415-L471 HydrophobicContact CG1-CD2 4.2Å; V415-L471 WeakPolarHBondContact O-CD1 3.25Å
416	E	95.9	Very high	97.4	Very high	115 Å²	115	53.6 Å²	53.6	54%	0.537	28%	0.283	S	S	.	.			trans	-93.3	-24.9	-178.9	-64.5	178	-169.4	0	0	113.9	L242 E444	L242-E416 HydrophobicContact CD1-CG 4.19Å; E416-E444 WeakPolarHBondContact O-CA 3.33Å; E416-E444 PolarHBondContact O-N 3.02Å
417	T	97.7	Very high	97.6	Very high	79 Å²	79	49.4 Å²	49.4	49%	0.485	26%	0.258	S	S	.	.			trans	-131.9	146.4	-174.4	61	0	0	0	0	113.2	K402 V415 S443 E444	K402-T417 PolarHBondContact NZ-O 2.81Å; V415-T417 VanDerWaalsContact CG1-O 3.25Å; V415-T417 WeakPolarHBondContact CG1-O 3.26Å; T417-S443 WeakPolarHBondContact CA-OG 3.3Å; T417-E444 HydrophobicContact CG2-CG 4.34Å
418	A	97.5	Very high	97.7	Very high	9 Å²	9	45.4 Å²	45.4	7%	0.074	24%	0.237	C	C	.	.			trans	-144.2	167.4	172.5	0	0	0	0	0	110.1	E376 K402 S443 P469 L471	E376-A418 VanDerWaalsContact OE1-CA 3.3Å; E376-A418 WeakPolarHBondContact OE1-CA 3.39Å; K402-A418 HydrophobicContact CD-CB 4.08Å; K402-A418 HydrophobicContact CG-CB 4.17Å; A418-S443 PolarHBondContact N-OG 3.11Å; A418-S443 VanDerWaalsContact N-OG 3.14Å; A418-S443 PolarHBondContact O-OG 3.11Å; A418-P469 HydrophobicContact CB-CB 3.94Å; A418-P469 WeakPolarHBondContact O-CB 3.28Å; A418-P469 WeakPolarHBondContact O-CG 3.5Å; A418-L471 HydrophobicContact CB-CD2 3.89Å
419	S	97.2	Very high	97.8	Very high	73 Å²	73	42.7 Å²	42.7	51%	0.51	22%	0.222	S	C	.	.			trans	-121.1	-26.3	179	-55.7	0	0	0	0	112.8	E376 R421	E376-S419 VanDerWaalsContact CD-N 3.3Å; E376-S419 PolarHBondContact OE1-N 3.42Å; E376-S419 PolarHBondContact OE2-N 2.96Å; E376-S419 VanDerWaalsContact OE2-N 3.09Å; S419-R421 PolarHBondContact O-N 3.32Å
420	T	97.2	Very high	97.9	Very high	2 Å²	2	36 Å²	36	1%	0.012	20%	0.196	C	C	.	.			trans	-75.9	122.6	-177.3	-52.7	0	0	0	0	112.5	M369 E376 Y378 F422 P469 V470	M369-T420 HydrophobicContact CB-CG2 3.95Å; M369-T420 HydrophobicContact CG-CG2 3.88Å; M369-T420 HydrophobicContact SD-CG2 3.85Å; E376-T420 WeakPolarHBondContact OE2-CB 3.19Å; E376-T420 PolarHBondContact OE2-N 2.99Å; E376-T420 PolarHBondContact OE2-OG1 2.83Å; Y378-T420 HydrophobicContact CE2-CG2 4.01Å; Y378-T420 WeakPolarHBondContact OH-CB 3.44Å; T420-F422 HydrophobicContact CG2-CE2 4.18Å; T420-P469 CarbonylContact O-C 3.56Å; T420-P469 WeakPolarHBondContact O-CA 3.35Å; T420-V470 PolarHBondContact O-N 2.87Å
421	R	97.5	Very high	98	Very high	106 Å²	106	35.2 Å²	35.2	40%	0.4	19%	0.19	S	C	.	.			trans	-92.9	160.5	170.2	-62.2	174.6	179.6	-119.8	-5.6	111	M369 S370 S419 S467	M369-R421 WeakPolarHBondContact CA-O 3.46Å; S370-R421 PolarHBondContact N-O 3.07Å; S419-R421 PolarHBondContact O-N 3.32Å; R421-S467 VanDerWaalsContact CZ-O 3.26Å; R421-S467 PolarHBondContact NH1-O 3.21Å; R421-S467 PolarHBondContact NH2-O 3.11Å
422	F	98.1	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.3	177.1	-75.3	-109.6	0	0	0	110	Y367 K368 M369 Y378 L400 T420 M424 F425 P465 T466 V470	Y367-F422 HydrophobicContact CD2-CD1 4.33Å; Y367-F422 AromaticContact CD2-CE1 3.84Å; Y367-F422 HydrophobicContact CD2-CE1 3.84Å; Y367-F422 HydrophobicContact CG-CE1 4.25Å; K368-F422 CarbonylContact O-C 3.59Å; M369-F422 HydrophobicContact CE-CE1 4.18Å; M369-F422 HydrophobicContact CE-CZ 3.87Å; M369-F422 HydrophobicContact CG-CD1 4.2Å; M369-F422 HydrophobicContact CG-CE1 3.79Å; M369-F422 HydrophobicContact CG-CE2 4.39Å; M369-F422 HydrophobicContact CG-CZ 3.9Å; Y378-F422 HydrophobicContact CD1-CE2 4.08Å; Y378-F422 AromaticContact CD1-CZ 3.8Å; Y378-F422 HydrophobicContact CD1-CZ 3.8Å; Y378-F422 AromaticContact CE1-CE2 3.69Å; Y378-F422 HydrophobicContact CE1-CE2 3.69Å; Y378-F422 AromaticContact CE1-CZ 3.92Å; Y378-F422 HydrophobicContact CE1-CZ 3.92Å; Y378-F422 HydrophobicContact CG-CZ 4.17Å; Y378-F422 AromaticContact CZ-CE2 3.97Å; L400-F422 HydrophobicContact CD1-CZ 4.39Å; L400-F422 HydrophobicContact CD2-CD1 4.35Å; L400-F422 HydrophobicContact CD2-CE1 3.72Å; L400-F422 HydrophobicContact CD2-CZ 3.96Å; T420-F422 HydrophobicContact CG2-CE2 4.18Å; F422-M424 VanDerWaalsContact C-N 3.3Å; F422-F425 HydrophobicContact CB-CD1 4.39Å; F422-P465 WeakPolarHBondContact O-CA 3.45Å; F422-T466 HydrophobicContact CB-CG2 4.22Å; F422-T466 PolarHBondContact N-OG1 3.25Å; F422-T466 VanDerWaalsContact N-OG1 3.14Å; F422-T466 PolarHBondContact O-N 2.77Å; F422-V470 HydrophobicContact CB-CG2 4.34Å; F422-V470 HydrophobicContact CD2-CB 3.71Å; F422-V470 HydrophobicContact CD2-CG1 4.43Å; F422-V470 HydrophobicContact CD2-CG2 3.49Å; F422-V470 VanDerWaalsContact CD2-CG2 3.49Å; F422-V470 HydrophobicContact CE2-CB 3.85Å; F422-V470 HydrophobicContact CE2-CG1 4.39Å; F422-V470 HydrophobicContact CE2-CG2 4.17Å; F422-V470 HydrophobicContact CG-CG2 4.21Å
423	E	98	Very high	98	Very high	80 Å²	80	38.2 Å²	38.2	37%	0.374	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-38.9	168.9	-68.2	-59.5	130.2	0	0	110.6	K368 S370 P465	K368-E423 HydrophobicContact CB-CB 4.32Å; K368-E423 HydrophobicContact CD-CB 4.21Å; K368-E423 HydrophobicContact CD-CG 4.5Å; K368-E423 HydrophobicContact CG-CB 4.15Å; K368-E423 HydrophobicContact CG-CG 4.45Å; K368-E423 PolarHBondContact O-N 2.86Å; S370-E423 WeakPolarHBondContact CB-OE1 3.35Å; S370-E423 PolarHBondContact OG-OE1 3.15Å; E423-P465 WeakPolarHBondContact OE2-CG 3.29Å
424	M	98.1	Very high	97.9	Very high	80 Å²	80	39.5 Å²	39.5	39%	0.394	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	152.5	172.1	69.7	102.6	46.4	0	0	113.4	Y367 K368 F422 S462	Y367-M424 CarbonylContact C-O 3.5Å; Y367-M424 VanDerWaalsContact CA-O 3.31Å; Y367-M424 WeakPolarHBondContact CA-O 3.42Å; K368-M424 HydrophobicContact CB-CG 3.81Å; K368-M424 PolarHBondContact N-O 2.72Å; K368-M424 PolarHBondContact O-N 2.86Å; F422-M424 VanDerWaalsContact C-N 3.3Å; M424-S462 WeakPolarHBondContact CA-OG 3.35Å
425	F	98.6	Very high	97.9	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.3	165.9	62.3	-100.8	0	0	0	110.4	S366 F422 V440 F452 L460 F461 S462 T466 V473	S366-F425 CarbonylContact O-C 3.44Å; S366-F425 WeakPolarHBondContact O-CA 3.22Å; F422-F425 HydrophobicContact CB-CD1 4.39Å; F425-V440 HydrophobicContact CE2-CG2 4.46Å; F425-V440 HydrophobicContact CZ-CG1 4.41Å; F425-V440 HydrophobicContact CZ-CG2 4.08Å; F425-F452 HydrophobicContact CE2-CB 4.39Å; F425-F452 HydrophobicContact CZ-CB 3.96Å; F425-L460 HydrophobicContact CE2-CG 4.29Å; F425-F461 WeakPolarHBondContact O-CA 3.31Å; F425-F461 WeakPolarHBondContact O-CB 3.33Å; F425-S462 PolarHBondContact N-OG 3.35Å; F425-S462 PolarHBondContact O-N 2.95Å; F425-S462 PolarHBondContact O-OG 3.01Å; F425-T466 HydrophobicContact CD1-CG2 4.43Å; F425-T466 HydrophobicContact CE1-CG2 3.96Å; F425-V473 HydrophobicContact CD1-CG2 4.09Å; F425-V473 HydrophobicContact CD2-CG1 3.78Å; F425-V473 HydrophobicContact CD2-CG2 4.16Å; F425-V473 HydrophobicContact CE1-CG2 4.02Å; F425-V473 HydrophobicContact CE2-CG1 3.73Å; F425-V473 HydrophobicContact CE2-CG2 4.11Å; F425-V473 HydrophobicContact CG-CG1 4.49Å; F425-V473 HydrophobicContact CG-CG2 4.16Å; F425-V473 HydrophobicContact CZ-CG1 4.39Å; F425-V473 HydrophobicContact CZ-CG2 4.03Å
426	S	98.7	Very high	98	Very high	15 Å²	15	38.4 Å²	38.4	11%	0.105	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	109.6	169.6	173.7	0	0	0	0	108.7	L365 S366 L460	L365-S426 WeakPolarHBondContact CA-O 3.48Å; S366-S426 PolarHBondContact N-O 3.05Å; S366-S426 PolarHBondContact O-N 3.11Å; S426-L460 CarbonylContact C-O 3.55Å; S426-L460 WeakPolarHBondContact CA-O 2.97Å
427	L	98.9	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.5	-179	-176.5	67.7	0	0	0	110.5	H364 L365 L380 C398 R459 L460 V473 L475	H364-L427 WeakPolarHBondContact O-CA 3.46Å; L365-L427 HydrophobicContact CB-CD1 4.33Å; L365-L427 HydrophobicContact CD1-CB 4.32Å; L365-L427 HydrophobicContact CD1-CD1 4.29Å; L380-L427 HydrophobicContact CD1-CD1 3.75Å; C398-L427 HydrophobicContact CB-CD1 4.23Å; C398-L427 HydrophobicContact CB-CD2 4.38Å; C398-L427 HydrophobicContact CB-CG 4.41Å; L427-R459 CarbonylContact O-C 3.58Å; L427-R459 WeakPolarHBondContact O-CA 3.47Å; L427-L460 PolarHBondContact N-O 2.92Å; L427-L460 PolarHBondContact O-N 3.45Å; L427-V473 HydrophobicContact CB-CG1 4.33Å; L427-V473 HydrophobicContact CD2-CG1 4.13Å; L427-V473 VanDerWaalsContact CD2-O 3.31Å; L427-V473 WeakPolarHBondContact CD2-O 3.43Å; L427-L475 HydrophobicContact CD2-CD1 4.44Å; L427-L475 HydrophobicContact CD2-CG 4.22Å; L427-L475 HydrophobicContact CG-CD1 4.18Å; L427-L475 HydrophobicContact CG-CG 4.49Å
428	S	98.8	Very high	98.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	165.2	173.8	56.8	0	0	0	0	110.6	Y319 C363 H364	Y319-S428 WeakPolarHBondContact CD1-OG 3.34Å; C363-S428 WeakPolarHBondContact CA-O 3.43Å; H364-S428 PolarHBondContact N-O 3.14Å; H364-S428 PolarHBondContact O-N 3.29Å
429	G	98.5	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	161.9	175.7	0	0	0	0	0	114	W316 A320 C362 F431	W316-G429 VanDerWaalsContact O-O 3.05Å; A320-G429 WeakPolarHBondContact CB-O 3.32Å; C362-G429 CarbonylContact O-C 3.58Å; C362-G429 WeakPolarHBondContact O-CA 3.48Å; G429-F431 VanDerWaalsContact O-CD2 3.27Å; G429-F431 WeakPolarHBondContact O-CD2 3.38Å; G429-F431 PolarHBondContact O-N 2.9Å
430	T	98.4	Very high	98.4	Very high	30 Å²	30	25.9 Å²	25.9	18%	0.184	14%	0.136	C	C	.	.			trans	-80	54.6	-179.9	58.8	0	0	0	0	112.1	T317 A320 T360 C362 G432	T317-T430 WeakPolarHBondContact OG1-CA 3.47Å; A320-T430 HydrophobicContact CB-CG2 3.85Å; T360-T430 PolarHBondContact O-OG1 3.48Å; T360-T430 VanDerWaalsContact O-OG1 3.13Å; C362-T430 HydrophobicContact CB-CG2 4.24Å; C362-T430 PolarHBondContact N-OG1 3.25Å; C362-T430 PolarHBondContact O-N 3Å; T430-G432 PolarHBondContact O-N 2.92Å
431	F	98.7	Very high	98.4	Very high	5 Å²	5	25.8 Å²	25.8	2%	0.022	14%	0.136	C	C	.	.			trans	-59.3	131.8	-174.8	-68.7	-82.8	0	0	0	112.2	W316 L361 Q396 C398 G429 T433 V436 L475	W316-F431 HydrophobicContact CB-CB 4.24Å; W316-F431 HydrophobicContact CB-CD2 4.27Å; L361-F431 HydrophobicContact CD1-CD1 4Å; L361-F431 HydrophobicContact CD1-CE1 4.13Å; L361-F431 HydrophobicContact CD1-CG 4.22Å; L361-F431 HydrophobicContact CD1-CZ 4.44Å; Q396-F431 HydrophobicContact CB-CD1 3.94Å; Q396-F431 HydrophobicContact CB-CE1 4.2Å; Q396-F431 WeakPolarHBondContact O-CE1 3.44Å; C398-F431 HydrophobicContact CB-CZ 4.04Å; G429-F431 VanDerWaalsContact O-CD2 3.27Å; G429-F431 WeakPolarHBondContact O-CD2 3.38Å; G429-F431 PolarHBondContact O-N 2.9Å; F431-T433 HydrophobicContact CB-CG2 4.44Å; F431-T433 PolarHBondContact O-N 2.82Å; F431-V436 HydrophobicContact CB-CG2 4.06Å; F431-V436 HydrophobicContact CD1-CG2 3.85Å; F431-V436 HydrophobicContact CD2-CG2 4.2Å; F431-V436 HydrophobicContact CE1-CG1 4.28Å; F431-V436 HydrophobicContact CE1-CG2 4.38Å; F431-V436 HydrophobicContact CE2-CG1 4.31Å; F431-V436 HydrophobicContact CG-CG2 3.76Å; F431-V436 HydrophobicContact CZ-CG1 4.19Å; F431-L475 HydrophobicContact CE1-CB 4.4Å; F431-L475 HydrophobicContact CE2-CB 3.78Å; F431-L475 HydrophobicContact CE2-CD1 3.76Å; F431-L475 HydrophobicContact CE2-CG 4.38Å; F431-L475 HydrophobicContact CZ-CB 3.4Å; F431-L475 HydrophobicContact CZ-CD1 4.24Å; F431-L475 HydrophobicContact CZ-CG 4.45Å; F431-L475 WeakPolarHBondContact CZ-O 3.32Å
432	G	98.1	Very high	98.5	Very high	56 Å²	56	21 Å²	21	58%	0.577	12%	0.117	S	C	*	.	S	Bend	trans	-83.5	11.5	172.3	0	0	0	0	0	113.8	T430	T430-G432 PolarHBondContact O-N 2.92Å
433	T	98.1	Very high	98.5	Very high	9 Å²	9	21.9 Å²	21.9	6%	0.055	12%	0.124	C	C	.	.			trans	-136.6	157.2	-177.3	-178.4	0	0	0	0	110.7	F431 Y435 V436 R478 L479	F431-T433 HydrophobicContact CB-CG2 4.44Å; F431-T433 PolarHBondContact O-N 2.82Å; T433-Y435 PolarHBondContact OG1-N 3.2Å; T433-V436 HydrophobicContact CG2-CG2 4.02Å; T433-R478 VanDerWaalsContact CB-O 3.27Å; T433-R478 WeakPolarHBondContact CB-O 3.44Å; T433-R478 WeakPolarHBondContact CG2-O 3.48Å; T433-R478 PolarHBondContact OG1-O 3.37Å; T433-L479 HydrophobicContact CG2-CD1 3.87Å; T433-L479 HydrophobicContact CG2-CG 4.36Å
434	Q	97.3	Very high	98.5	Very high	93 Å²	93	23.1 Å²	23.1	44%	0.435	13%	0.13	S	C	.	.	S	Bend	trans	-95.6	-5.6	169.2	-61	-59.7	-52.5	0	0	112.7	V314 W316 V436	V314-Q434 PolarHBondContact O-OE1 3.03Å; W316-Q434 PolarHBondContact NE1-O 2.93Å; Q434-V436 PolarHBondContact O-N 3.44Å
435	Y	98.4	Very high	98.5	Very high	50 Å²	50	19.4 Å²	19.4	20%	0.196	11%	0.112	C	C	.	.			trans	-95.5	86	178.1	-55.7	-71.5	0	0	0	109.4	V221 K225 M258 T433 G477 R478 Y480	V221-Y435 HydrophobicContact CG1-CD1 4.35Å; V221-Y435 HydrophobicContact CG1-CE1 3.48Å; V221-Y435 VanDerWaalsContact CG1-CE1 3.48Å; V221-Y435 WeakPolarHBondContact CG1-OH 3.36Å; V221-Y435 HydrophobicContact CG2-CE1 4.49Å; K225-Y435 VanDerWaalsContact CE-CE1 3.43Å; K225-Y435 HydrophobicContact CG-CE1 4.31Å; M258-Y435 HydrophobicContact CE-CE1 4.44Å; M258-Y435 HydrophobicContact SD-CD1 4Å; M258-Y435 HydrophobicContact SD-CE1 4.46Å; T433-Y435 PolarHBondContact OG1-N 3.2Å; Y435-G477 WeakPolarHBondContact O-CA 3.23Å; Y435-R478 PolarHBondContact O-N 2.83Å; Y435-Y480 HydrophobicContact CD1-CE2 4.12Å; Y435-Y480 AromaticContact CD2-CD2 3.65Å; Y435-Y480 HydrophobicContact CD2-CD2 3.65Å; Y435-Y480 AromaticContact CD2-CE2 3.57Å; Y435-Y480 HydrophobicContact CD2-CE2 3.57Å; Y435-Y480 AromaticContact CE2-CD2 3.99Å; Y435-Y480 HydrophobicContact CE2-CD2 3.99Å; Y435-Y480 HydrophobicContact CE2-CE2 4.14Å; Y435-Y480 HydrophobicContact CG-CD2 4.15Å; Y435-Y480 AromaticContact CG-CE2 3.55Å; Y435-Y480 HydrophobicContact CG-CE2 3.55Å
436	V	98.8	Very high	98.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.3	178	-175.5	0	0	0	0	109	W316 F431 T433 Q434 L475 F476	W316-V436 HydrophobicContact CB-CG2 3.99Å; W316-V436 HydrophobicContact CD2-CB 3.61Å; W316-V436 HydrophobicContact CD2-CG1 4.11Å; W316-V436 HydrophobicContact CD2-CG2 3.96Å; W316-V436 HydrophobicContact CE3-CB 4.09Å; W316-V436 HydrophobicContact CE3-CG1 4.06Å; W316-V436 HydrophobicContact CG-CB 3.86Å; W316-V436 HydrophobicContact CG-CG2 3.65Å; W316-V436 HydrophobicContact CH2-CB 4.42Å; W316-V436 HydrophobicContact CH2-CG1 4.44Å; W316-V436 HydrophobicContact CZ2-CB 4.03Å; W316-V436 VanDerWaalsContact CZ2-O 3.27Å; W316-V436 WeakPolarHBondContact CZ2-O 2.98Å; W316-V436 HydrophobicContact CZ3-CB 4.48Å; W316-V436 HydrophobicContact CZ3-CG1 4.24Å; F431-V436 HydrophobicContact CB-CG2 4.06Å; F431-V436 HydrophobicContact CD1-CG2 3.85Å; F431-V436 HydrophobicContact CD2-CG2 4.2Å; F431-V436 HydrophobicContact CE1-CG1 4.28Å; F431-V436 HydrophobicContact CE1-CG2 4.38Å; F431-V436 HydrophobicContact CE2-CG1 4.31Å; F431-V436 HydrophobicContact CG-CG2 3.76Å; F431-V436 HydrophobicContact CZ-CG1 4.19Å; T433-V436 HydrophobicContact CG2-CG2 4.02Å; Q434-V436 PolarHBondContact O-N 3.44Å; V436-L475 HydrophobicContact CG1-CB 3.81Å; V436-L475 HydrophobicContact CG1-CD2 3.85Å; V436-L475 HydrophobicContact CG1-CG 4.4Å; V436-F476 CarbonylContact C-O 3.56Å; V436-F476 WeakPolarHBondContact CA-O 3.32Å
437	F	98.8	Very high	98.5	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112	-174.7	-46.7	-56.7	0	0	0	108.7	F250 A253 W254 M258 F476 R478	F250-F437 AromaticContact CE2-CD2 3.99Å; F250-F437 HydrophobicContact CE2-CD2 3.99Å; F250-F437 AromaticContact CZ-CD2 3.96Å; F250-F437 HydrophobicContact CZ-CD2 3.96Å; F250-F437 HydrophobicContact CZ-CE2 4.29Å; A253-F437 HydrophobicContact CB-CB 4Å; W254-F437 HydrophobicContact CB-CD1 4.34Å; W254-F437 AromaticContact CD1-CD1 3.98Å; W254-F437 AromaticContact CD1-CE1 3.57Å; W254-F437 AromaticContact CD1-CZ 3.59Å; W254-F437 HydrophobicContact CG-CD1 4.28Å; W254-F437 HydrophobicContact CG-CE1 4.15Å; W254-F437 AromaticContact NE1-CE1 3.97Å; W254-F437 AromaticContact NE1-CZ 3.86Å; M258-F437 HydrophobicContact CG-CE1 3.95Å; M258-F437 HydrophobicContact SD-CE1 4.01Å; F437-F476 HydrophobicContact CB-CB 4.39Å; F437-F476 HydrophobicContact CD2-CD1 4.07Å; F437-F476 VanDerWaalsContact CD2-O 3.28Å; F437-F476 WeakPolarHBondContact CD2-O 3.29Å; F437-F476 PolarHBondContact N-O 2.83Å; F437-F476 PolarHBondContact O-N 3.1Å; F437-R478 HydrophobicContact CE2-CB 4.32Å; F437-R478 HydrophobicContact CE2-CG 3.73Å
438	P	98.8	Very high	98.5	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.013	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	121.1	-177	31.8	-36.2	0	0	0	112	A253 M256 W316 V454 L460 L475	A253-P438 WeakPolarHBondContact CA-O 3.38Å; A253-P438 WeakPolarHBondContact CB-O 3.45Å; M256-P438 HydrophobicContact CB-CG 4.1Å; M256-P438 HydrophobicContact CG-CG 3.72Å; M256-P438 HydrophobicContact SD-CB 4.38Å; M256-P438 HydrophobicContact SD-CG 3.49Å; M256-P438 WeakPolarHBondContact SD-CG 3.32Å; W316-P438 HydrophobicContact CH2-CB 4.41Å; W316-P438 HydrophobicContact CH2-CG 4.3Å; P438-V454 HydrophobicContact CB-CG2 3.76Å; P438-V454 HydrophobicContact CG-CG2 3.78Å; P438-L460 HydrophobicContact CB-CD1 4.11Å; P438-L460 HydrophobicContact CB-CD2 4.01Å; P438-L475 HydrophobicContact CB-CD2 4.06Å
439	E	98.9	Very high	98.4	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136	-175.2	-59.4	172.4	124.7	0	0	110.8	E249 F250 A253 V473 T474	E249-E439 HydrophobicContact CG-CB 3.97Å; E249-E439 HydrophobicContact CG-CG 4.07Å; F250-E439 WeakPolarHBondContact CD2-OE1 3.44Å; A253-E439 HydrophobicContact CB-CB 4.38Å; A253-E439 HydrophobicContact CB-CG 3.44Å; A253-E439 VanDerWaalsContact CB-CG 3.44Å; E439-V473 CarbonylContact O-C 3.43Å; E439-V473 WeakPolarHBondContact O-CA 3.48Å; E439-T474 PolarHBondContact N-O 3.38Å; E439-T474 PolarHBondContact O-N 2.75Å; E439-T474 VanDerWaalsContact OE2-CB 3.26Å; E439-T474 WeakPolarHBondContact OE2-CB 3.28Å; E439-T474 WeakPolarHBondContact OE2-CG2 3.47Å
440	V	98.8	Very high	98.3	Very high	8 Å²	8	27.4 Å²	27.4	5%	0.048	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	111	169.1	-179.1	0	0	0	0	107.6	F425 L442 A448 F452 L460 V473	F425-V440 HydrophobicContact CE2-CG2 4.46Å; F425-V440 HydrophobicContact CZ-CG1 4.41Å; F425-V440 HydrophobicContact CZ-CG2 4.08Å; V440-L442 HydrophobicContact CG1-CD2 4.48Å; V440-A448 HydrophobicContact CB-CB 4.49Å; V440-A448 HydrophobicContact CG1-CB 3.84Å; V440-F452 HydrophobicContact CB-CD1 3.91Å; V440-F452 HydrophobicContact CB-CE1 3.81Å; V440-F452 HydrophobicContact CB-CZ 4.34Å; V440-F452 HydrophobicContact CG1-CD1 4.35Å; V440-F452 HydrophobicContact CG2-CB 4.35Å; V440-F452 HydrophobicContact CG2-CD1 3.67Å; V440-F452 HydrophobicContact CG2-CD2 4.08Å; V440-F452 HydrophobicContact CG2-CE1 3.85Å; V440-F452 HydrophobicContact CG2-CE2 4.21Å; V440-F452 HydrophobicContact CG2-CG 3.78Å; V440-F452 HydrophobicContact CG2-CZ 4.1Å; V440-L460 HydrophobicContact CG2-CD1 4.24Å; V440-L460 HydrophobicContact CG2-CD2 4.23Å; V440-V473 HydrophobicContact CG1-CG2 4.37Å; V440-V473 HydrophobicContact CG2-CG1 4.37Å; V440-V473 HydrophobicContact CG2-CG2 4.44Å
441	L	98.9	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.3	178.7	-163.9	66.2	0	0	0	110.1	L242 E249 L447 L471 T472	L242-L441 HydrophobicContact CD2-CD2 3.51Å; E249-L441 HydrophobicContact CB-CD1 4.11Å; E249-L441 HydrophobicContact CB-CD2 4.42Å; E249-L441 HydrophobicContact CG-CB 4.32Å; L441-L447 HydrophobicContact CD1-CD2 4.12Å; L441-L471 HydrophobicContact CD2-CD1 4.14Å; L441-L471 HydrophobicContact CG-CD1 4.31Å; L441-L471 WeakPolarHBondContact O-CB 3.4Å; L441-L471 PolarHBondContact O-N 2.84Å; L441-T472 HydrophobicContact CB-CG2 3.89Å; L441-T472 PolarHBondContact N-O 2.68Å; L441-T472 PolarHBondContact O-N 2.97Å; L441-T472 VanDerWaalsContact O-N 3.13Å
442	L	98.8	Very high	98.3	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	166.9	175.6	-52.3	-178.4	0	0	0	110.5	V440 N445 Q446 A448 P469 V470 L471	V440-L442 HydrophobicContact CG1-CD2 4.48Å; L442-N445 PolarHBondContact O-N 3.35Å; L442-Q446 HydrophobicContact CB-CB 4.19Å; L442-Q446 WeakPolarHBondContact CB-O 3.48Å; L442-Q446 PolarHBondContact N-O 3.24Å; L442-Q446 PolarHBondContact O-N 3.18Å; L442-A448 HydrophobicContact CD1-CB 3.93Å; L442-A448 HydrophobicContact CD2-CB 4.37Å; L442-A448 HydrophobicContact CG-CB 4.08Å; L442-P469 CarbonylContact C-O 3.55Å; L442-P469 WeakPolarHBondContact CA-O 3.43Å; L442-P469 WeakPolarHBondContact CB-O 3.4Å; L442-V470 HydrophobicContact CD2-CG2 3.94Å; L442-L471 VanDerWaalsContact O-CD1 3.28Å; L442-L471 WeakPolarHBondContact O-CD1 3.32Å
443	S	98.4	Very high	98.3	Very high	19 Å²	19	30 Å²	30	13%	0.133	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	143.5	176	-175.9	0	0	0	0	111.5	T417 A418 N445 Q446 P469	T417-S443 WeakPolarHBondContact CA-OG 3.3Å; A418-S443 PolarHBondContact N-OG 3.11Å; A418-S443 VanDerWaalsContact N-OG 3.14Å; A418-S443 PolarHBondContact O-OG 3.11Å; S443-N445 VanDerWaalsContact C-N 3.33Å; S443-Q446 WeakPolarHBondContact O-CG 3.39Å; S443-P469 PolarHBondContact N-O 3.09Å
444	E	97.7	Very high	98.3	Very high	107 Å²	107	30.8 Å²	30.8	50%	0.5	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	33.9	-175.2	-49.2	-170.1	176.1	0	0	113.9	E416 T417 Q446	E416-E444 WeakPolarHBondContact O-CA 3.33Å; E416-E444 PolarHBondContact O-N 3.02Å; T417-E444 HydrophobicContact CG2-CG 4.34Å; E444-Q446 VanDerWaalsContact C-N 3.25Å; E444-Q446 HydrophobicContact CB-CG 4.47Å; E444-Q446 PolarHBondContact O-N 2.93Å; E444-Q446 PolarHBondContact O-NE2 3.42Å
445	N	98.1	Very high	98.3	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.011	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	37.7	178.1	-74	-100	0	0	0	113.3	S246 Y290 L442 S443	S246-N445 PolarHBondContact OG-OD1 3.47Å; Y290-N445 HydrophobicContact CD1-CB 3.73Å; Y290-N445 HydrophobicContact CD2-CB 3.69Å; Y290-N445 HydrophobicContact CE1-CB 3.7Å; Y290-N445 HydrophobicContact CE2-CB 3.63Å; Y290-N445 HydrophobicContact CG-CB 3.73Å; Y290-N445 VanDerWaalsContact CZ-CG 3.46Å; Y290-N445 PolarHBondContact OH-ND2 2.04Å; L442-N445 PolarHBondContact O-N 3.35Å; S443-N445 VanDerWaalsContact C-N 3.33Å
446	Q	98.7	Very high	98.2	Very high	75 Å²	75	28.8 Å²	28.8	35%	0.35	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.2	178.8	-59.7	-57.4	-57.1	0	0	110.8	L442 S443 E444	L442-Q446 HydrophobicContact CB-CB 4.19Å; L442-Q446 WeakPolarHBondContact CB-O 3.48Å; L442-Q446 PolarHBondContact N-O 3.24Å; L442-Q446 PolarHBondContact O-N 3.18Å; S443-Q446 WeakPolarHBondContact O-CG 3.39Å; E444-Q446 VanDerWaalsContact C-N 3.25Å; E444-Q446 HydrophobicContact CB-CG 4.47Å; E444-Q446 PolarHBondContact O-N 2.93Å; E444-Q446 PolarHBondContact O-NE2 3.42Å
447	L	98.7	Very high	98.1	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.068	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	159.4	169.7	-59.9	-177	0	0	0	111	V248 Y280 F288 L441 P449	V248-L447 HydrophobicContact CB-CD1 4.16Å; V248-L447 HydrophobicContact CB-CD2 4.28Å; V248-L447 HydrophobicContact CB-CG 4.22Å; V248-L447 HydrophobicContact CG2-CD2 4.1Å; V248-L447 HydrophobicContact CG2-CG 4.25Å; V248-L447 WeakPolarHBondContact O-CD2 3.3Å; Y280-L447 HydrophobicContact CE1-CD1 4.28Å; F288-L447 HydrophobicContact CB-CD1 3.97Å; F288-L447 HydrophobicContact CD1-CB 4.05Å; F288-L447 HydrophobicContact CD1-CD1 3.91Å; F288-L447 HydrophobicContact CD1-CG 4.17Å; F288-L447 HydrophobicContact CD2-CD1 4.3Å; F288-L447 HydrophobicContact CD2-CG 4.13Å; F288-L447 HydrophobicContact CE1-CB 3.8Å; F288-L447 HydrophobicContact CE1-CG 4.32Å; F288-L447 HydrophobicContact CE2-CB 4.36Å; F288-L447 HydrophobicContact CE2-CG 4.28Å; F288-L447 HydrophobicContact CG-CB 4.44Å; F288-L447 HydrophobicContact CG-CD1 3.79Å; F288-L447 HydrophobicContact CG-CG 4.08Å; F288-L447 HydrophobicContact CZ-CB 3.97Å; F288-L447 HydrophobicContact CZ-CG 4.38Å; L441-L447 HydrophobicContact CD1-CD2 4.12Å; L447-P449 WeakPolarHBondContact O-CD 3.06Å
448	A	98.3	Very high	98.1	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	17%	0.172	C	C	.	.			trans	-112.5	61	-179.7	0	0	0	0	0	112.9	V440 L442 G450 E451 F452	V440-A448 HydrophobicContact CB-CB 4.49Å; V440-A448 HydrophobicContact CG1-CB 3.84Å; L442-A448 HydrophobicContact CD1-CB 3.93Å; L442-A448 HydrophobicContact CD2-CB 4.37Å; L442-A448 HydrophobicContact CG-CB 4.08Å; A448-G450 PolarHBondContact O-N 2.69Å; A448-E451 HydrophobicContact CB-CB 4.02Å; A448-E451 HydrophobicContact CB-CG 4.12Å; A448-E451 WeakPolarHBondContact O-CB 3.49Å; A448-E451 PolarHBondContact O-N 2.88Å; A448-F452 HydrophobicContact CB-CD1 4.31Å; A448-F452 HydrophobicContact CB-CE1 4.46Å; A448-F452 WeakPolarHBondContact O-CD1 3.28Å; A448-F452 WeakPolarHBondContact O-CE1 3.49Å
449	P	97.6	Very high	98.1	Very high	57 Å²	57	33.8 Å²	33.8	37%	0.37	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	128.2	-173.5	27.4	-34.7	0	0	0	112.2	S284 L447 E451	S284-P449 VanDerWaalsContact OG-CA 3.26Å; S284-P449 WeakPolarHBondContact OG-CA 3.47Å; L447-P449 WeakPolarHBondContact O-CD 3.06Å; P449-E451 VanDerWaalsContact C-N 3.26Å; P449-E451 PolarHBondContact O-N 2.88Å
450	G	96.8	Very high	98.1	Very high	40 Å²	40	33.7 Å²	33.7	41%	0.412	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	18	-179.3	0	0	0	0	0	114.9	S284 A448 K464	S284-G450 PolarHBondContact OG-N 3.24Å; S284-G450 VanDerWaalsContact OG-N 3.11Å; A448-G450 PolarHBondContact O-N 2.69Å; G450-K464 WeakPolarHBondContact O-CE 3.22Å; G450-K464 PolarHBondContact O-NZ 3.34Å
451	E	98.4	Very high	98	Very high	16 Å²	16	35.9 Å²	35.9	8%	0.075	19%	0.193	C	C	.	.	S	Bend	trans	-101.9	-16.1	177	-53.7	-170	-159.2	0	0	113.5	A448 P449 L463 T466 S467	A448-E451 HydrophobicContact CB-CB 4.02Å; A448-E451 HydrophobicContact CB-CG 4.12Å; A448-E451 WeakPolarHBondContact O-CB 3.49Å; A448-E451 PolarHBondContact O-N 2.88Å; P449-E451 VanDerWaalsContact C-N 3.26Å; P449-E451 PolarHBondContact O-N 2.88Å; E451-L463 PolarHBondContact O-N 3.32Å; E451-T466 WeakPolarHBondContact OE2-CA 3.27Å; E451-S467 WeakPolarHBondContact OE1-CB 3.37Å; E451-S467 PolarHBondContact OE1-OG 3.15Å; E451-S467 PolarHBondContact OE2-N 3.26Å; E451-S467 PolarHBondContact OE2-OG 3.4Å
452	F	98.4	Very high	98	Very high	25 Å²	25	36.6 Å²	36.6	11%	0.11	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	167.4	-177.6	69.3	-90.2	0	0	0	111.6	M256 F425 V440 A448 L460 F461	M256-F452 HydrophobicContact CE-CE2 3.6Å; M256-F452 HydrophobicContact CE-CZ 3.76Å; M256-F452 HydrophobicContact SD-CE2 3.63Å; M256-F452 HydrophobicContact SD-CZ 4.3Å; F425-F452 HydrophobicContact CE2-CB 4.39Å; F425-F452 HydrophobicContact CZ-CB 3.96Å; V440-F452 HydrophobicContact CB-CD1 3.91Å; V440-F452 HydrophobicContact CB-CE1 3.81Å; V440-F452 HydrophobicContact CB-CZ 4.34Å; V440-F452 HydrophobicContact CG1-CD1 4.35Å; V440-F452 HydrophobicContact CG2-CB 4.35Å; V440-F452 HydrophobicContact CG2-CD1 3.67Å; V440-F452 HydrophobicContact CG2-CD2 4.08Å; V440-F452 HydrophobicContact CG2-CE1 3.85Å; V440-F452 HydrophobicContact CG2-CE2 4.21Å; V440-F452 HydrophobicContact CG2-CG 3.78Å; V440-F452 HydrophobicContact CG2-CZ 4.1Å; A448-F452 HydrophobicContact CB-CD1 4.31Å; A448-F452 HydrophobicContact CB-CE1 4.46Å; A448-F452 WeakPolarHBondContact O-CD1 3.28Å; A448-F452 WeakPolarHBondContact O-CE1 3.49Å; F452-L460 HydrophobicContact CB-CD1 4.32Å; F452-L460 HydrophobicContact CD2-CD1 3.31Å; F452-L460 HydrophobicContact CE2-CD1 3.86Å; F452-L460 HydrophobicContact CG-CD1 4.11Å; F452-F461 CarbonylContact C-O 3.55Å; F452-F461 VanDerWaalsContact CA-O 3.22Å; F452-F461 WeakPolarHBondContact CA-O 3.34Å; F452-F461 WeakPolarHBondContact CB-O 3.15Å
453	Q	97.4	Very high	98	Very high	103 Å²	103	40.8 Å²	40.8	48%	0.481	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	157.2	175.3	-171.6	171.1	8.6	0	0	110.7	F461 L463	Q453-F461 HydrophobicContact CB-CE1 4.01Å; Q453-F461 HydrophobicContact CB-CE2 4.48Å; Q453-F461 HydrophobicContact CB-CZ 3.87Å; Q453-F461 HydrophobicContact CG-CE1 4.38Å; Q453-F461 HydrophobicContact CG-CZ 4.32Å; Q453-F461 PolarHBondContact N-O 3.36Å; Q453-F461 VanDerWaalsContact O-CD1 3.28Å; Q453-F461 WeakPolarHBondContact O-CD1 3.37Å; Q453-F461 PolarHBondContact O-N 3.09Å; Q453-L463 HydrophobicContact CB-CD1 4.22Å; Q453-L463 HydrophobicContact CB-CD2 3.96Å; Q453-L463 HydrophobicContact CB-CG 4.14Å
454	V	97.8	Very high	97.9	Very high	27 Å²	27	45 Å²	45	16%	0.164	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	125.1	166.8	179.5	0	0	0	0	109.7	M256 V314 W316 P438 R459 L460	M256-V454 HydrophobicContact SD-CG2 4.09Å; V314-V454 HydrophobicContact CG1-CG1 4.02Å; V314-V454 HydrophobicContact CG2-CG1 3.81Å; W316-V454 HydrophobicContact CH2-CB 4.42Å; W316-V454 HydrophobicContact CH2-CG1 3.5Å; W316-V454 VanDerWaalsContact CH2-CG1 3.5Å; W316-V454 HydrophobicContact CH2-CG2 4.09Å; W316-V454 HydrophobicContact CZ2-CG1 4.32Å; W316-V454 HydrophobicContact CZ3-CG1 3.6Å; W316-V454 HydrophobicContact CZ3-CG2 4.47Å; P438-V454 HydrophobicContact CB-CG2 3.76Å; P438-V454 HydrophobicContact CG-CG2 3.78Å; V454-R459 CarbonylContact C-O 3.6Å; V454-R459 VanDerWaalsContact CA-O 3.29Å; V454-R459 WeakPolarHBondContact CA-O 3.1Å; V454-L460 HydrophobicContact CG2-CD1 4.2Å
455	S	97.1	Very high	98	Very high	16 Å²	16	43 Å²	43	11%	0.112	23%	0.232	C	C	.	.			trans	-81.1	157.5	173.1	58.9	0	0	0	0	111.7	D457 G458 R459	S455-D457 VanDerWaalsContact CB-OD1 3.25Å; S455-D457 WeakPolarHBondContact CB-OD1 3.25Å; S455-D457 PolarHBondContact O-N 2.81Å; S455-D457 VanDerWaalsContact O-N 3.12Å; S455-D457 PolarHBondContact OG-OD1 3.4Å; S455-G458 PolarHBondContact O-N 3.42Å; S455-R459 PolarHBondContact N-O 3.32Å; S455-R459 VanDerWaalsContact OG-CB 3.3Å; S455-R459 WeakPolarHBondContact OG-CB 3.21Å; S455-R459 PolarHBondContact OG-N 3.29Å; S455-R459 PolarHBondContact OG-O 2.97Å
456	T	96.8	Very high	98	Very high	84 Å²	84	43.1 Å²	43.1	52%	0.515	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-21.6	178.5	52	0	0	0	0	113.7	V312 N315	V312-T456 HydrophobicContact CB-CG2 3.8Å; V312-T456 HydrophobicContact CG1-CG2 3.79Å; N315-T456 PolarHBondContact N-O 3.03Å
457	D	97.4	Very high	97.9	Very high	37 Å²	37	42.8 Å²	42.8	20%	0.198	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	9.5	177.8	65.3	3.9	0	0	0	114	N315 Y319 S455 R459	N315-D457 CarbonylContact O-C 3.5Å; Y319-D457 WeakPolarHBondContact CB-O 3.3Å; Y319-D457 PolarHBondContact N-O 3.21Å; S455-D457 VanDerWaalsContact CB-OD1 3.25Å; S455-D457 WeakPolarHBondContact CB-OD1 3.25Å; S455-D457 PolarHBondContact O-N 2.81Å; S455-D457 VanDerWaalsContact O-N 3.12Å; S455-D457 PolarHBondContact OG-OD1 3.4Å; D457-R459 IonicContact OD1-CZ 3.38Å; D457-R459 IonicContact OD1-NE 3.23Å; D457-R459 PolarHBondContact OD1-NE 3.36Å; D457-R459 IonicContact OD1-NH2 2.75Å; D457-R459 PolarHBondContact OD1-NH2 3.32Å; D457-R459 IonicContact OD2-CZ 3.8Å; D457-R459 IonicContact OD2-NE 3.92Å; D457-R459 PolarHBondContact OD2-NE 3.46Å; D457-R459 IonicContact OD2-NH2 3.07Å; D457-R459 PolarHBondContact OD2-NH2 3.01Å
458	G	98	Very high	97.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	91.8	19.7	168.9	0	0	0	0	0	116	N315 S455	N315-G458 PolarHBondContact O-N 3.49Å; S455-G458 PolarHBondContact O-N 3.42Å
459	R	98.4	Very high	97.8	Very high	73 Å²	73	43.8 Å²	43.8	28%	0.275	25%	0.248	S	C	.	.			trans	-96.3	132.4	174.8	-61.3	171.9	-80	159.7	-6.1	110.9	Y319 L427 V454 S455 D457 F461	Y319-R459 HydrophobicContact CD1-CG 3.59Å; Y319-R459 HydrophobicContact CD2-CG 4.28Å; Y319-R459 HydrophobicContact CE1-CG 4.13Å; Y319-R459 HydrophobicContact CG-CG 3.66Å; L427-R459 CarbonylContact O-C 3.58Å; L427-R459 WeakPolarHBondContact O-CA 3.47Å; V454-R459 CarbonylContact C-O 3.6Å; V454-R459 VanDerWaalsContact CA-O 3.29Å; V454-R459 WeakPolarHBondContact CA-O 3.1Å; S455-R459 PolarHBondContact N-O 3.32Å; S455-R459 VanDerWaalsContact OG-CB 3.3Å; S455-R459 WeakPolarHBondContact OG-CB 3.21Å; S455-R459 PolarHBondContact OG-N 3.29Å; S455-R459 PolarHBondContact OG-O 2.97Å; D457-R459 IonicContact OD1-CZ 3.38Å; D457-R459 IonicContact OD1-NE 3.23Å; D457-R459 PolarHBondContact OD1-NE 3.36Å; D457-R459 IonicContact OD1-NH2 2.75Å; D457-R459 PolarHBondContact OD1-NH2 3.32Å; D457-R459 IonicContact OD2-CZ 3.8Å; D457-R459 IonicContact OD2-NE 3.92Å; D457-R459 PolarHBondContact OD2-NE 3.46Å; D457-R459 IonicContact OD2-NH2 3.07Å; D457-R459 PolarHBondContact OD2-NH2 3.01Å; R459-F461 HydrophobicContact CB-CD1 4.47Å
460	L	98.8	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	114	164.7	171.1	58.2	0	0	0	108.5	F425 S426 L427 P438 V440 F452 V454 V473 T474 L475	F425-L460 HydrophobicContact CE2-CG 4.29Å; S426-L460 CarbonylContact C-O 3.55Å; S426-L460 WeakPolarHBondContact CA-O 2.97Å; L427-L460 PolarHBondContact N-O 2.92Å; L427-L460 PolarHBondContact O-N 3.45Å; P438-L460 HydrophobicContact CB-CD1 4.11Å; P438-L460 HydrophobicContact CB-CD2 4.01Å; V440-L460 HydrophobicContact CG2-CD1 4.24Å; V440-L460 HydrophobicContact CG2-CD2 4.23Å; F452-L460 HydrophobicContact CB-CD1 4.32Å; F452-L460 HydrophobicContact CD2-CD1 3.31Å; F452-L460 HydrophobicContact CE2-CD1 3.86Å; F452-L460 HydrophobicContact CG-CD1 4.11Å; V454-L460 HydrophobicContact CG2-CD1 4.2Å; L460-V473 HydrophobicContact CD2-CG1 3.63Å; L460-V473 HydrophobicContact CG-CG1 4.05Å; L460-T474 WeakPolarHBondContact CD2-O 3.08Å; L460-L475 HydrophobicContact CB-CD1 4.47Å; L460-L475 HydrophobicContact CB-CD2 3.95Å; L460-L475 HydrophobicContact CB-CG 4.26Å; L460-L475 HydrophobicContact CD2-CD2 4.2Å; L460-L475 HydrophobicContact CD2-CG 4.37Å
461	F	98.7	Very high	98	Very high	53 Å²	53	39.6 Å²	39.6	23%	0.232	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.7	-172.6	69.5	-80.3	0	0	0	113.2	F425 F452 Q453 R459 L463	F425-F461 WeakPolarHBondContact O-CA 3.31Å; F425-F461 WeakPolarHBondContact O-CB 3.33Å; F452-F461 CarbonylContact C-O 3.55Å; F452-F461 VanDerWaalsContact CA-O 3.22Å; F452-F461 WeakPolarHBondContact CA-O 3.34Å; F452-F461 WeakPolarHBondContact CB-O 3.15Å; Q453-F461 HydrophobicContact CB-CE1 4.01Å; Q453-F461 HydrophobicContact CB-CE2 4.48Å; Q453-F461 HydrophobicContact CB-CZ 3.87Å; Q453-F461 HydrophobicContact CG-CE1 4.38Å; Q453-F461 HydrophobicContact CG-CZ 4.32Å; Q453-F461 PolarHBondContact N-O 3.36Å; Q453-F461 VanDerWaalsContact O-CD1 3.28Å; Q453-F461 WeakPolarHBondContact O-CD1 3.37Å; Q453-F461 PolarHBondContact O-N 3.09Å; R459-F461 HydrophobicContact CB-CD1 4.47Å; F461-L463 HydrophobicContact CE2-CD2 3.83Å; F461-L463 HydrophobicContact CZ-CD2 4.32Å
462	S	98.4	Very high	98	Very high	15 Å²	15	38.9 Å²	38.9	11%	0.105	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	136.3	176.1	56.9	0	0	0	0	111.7	M424 F425	M424-S462 WeakPolarHBondContact CA-OG 3.35Å; F425-S462 PolarHBondContact N-OG 3.35Å; F425-S462 PolarHBondContact O-N 2.95Å; F425-S462 PolarHBondContact O-OG 3.01Å
463	L	98.1	Very high	98	Very high	93 Å²	93	37.7 Å²	37.7	49%	0.487	20%	0.204	S	C	.	.	S	Bend	trans	-85.8	-24.1	171	-65.5	175.2	0	0	0	112.7	E451 Q453 F461	E451-L463 PolarHBondContact O-N 3.32Å; Q453-L463 HydrophobicContact CB-CD1 4.22Å; Q453-L463 HydrophobicContact CB-CD2 3.96Å; Q453-L463 HydrophobicContact CB-CG 4.14Å; F461-L463 HydrophobicContact CE2-CD2 3.83Å; F461-L463 HydrophobicContact CZ-CD2 4.32Å
464	K	97.5	Very high	98.1	Very high	107 Å²	107	32.8 Å²	32.8	47%	0.465	18%	0.181	S	C	.	.	S	Bend	trans	-158.2	167.3	-176.1	59.8	-171.6	179.9	-168.7	0	109.1	G450	G450-K464 WeakPolarHBondContact O-CE 3.22Å; G450-K464 PolarHBondContact O-NZ 3.34Å
465	P	98.1	Very high	98.2	Very high	64 Å²	64	31.5 Å²	31.5	42%	0.416	17%	0.174	S	C	.	.			trans	-55.5	143.5	172.5	-26.4	36.2	0	0	0	111.7	F422 E423	F422-P465 WeakPolarHBondContact O-CA 3.45Å; E423-P465 WeakPolarHBondContact OE2-CG 3.29Å
466	T	97.9	Very high	98.2	Very high	5 Å²	5	31 Å²	31	3%	0.031	17%	0.169	C	C	.	.			trans	-65.8	137	-177	62.2	0	0	0	0	111.4	F422 F425 E451 G468 V470	F422-T466 HydrophobicContact CB-CG2 4.22Å; F422-T466 PolarHBondContact N-OG1 3.25Å; F422-T466 VanDerWaalsContact N-OG1 3.14Å; F422-T466 PolarHBondContact O-N 2.77Å; F425-T466 HydrophobicContact CD1-CG2 4.43Å; F425-T466 HydrophobicContact CE1-CG2 3.96Å; E451-T466 WeakPolarHBondContact OE2-CA 3.27Å; T466-G468 WeakPolarHBondContact CB-O 3.42Å; T466-G468 PolarHBondContact O-N 2.88Å; T466-G468 PolarHBondContact OG1-O 2.91Å; T466-V470 HydrophobicContact CG2-CG2 3.75Å
467	S	97.4	Very high	98.3	Very high	69 Å²	69	27 Å²	27	48%	0.483	15%	0.145	S	C	.	.	S	Bend	trans	-67.2	-24.5	-178.6	64.2	0	0	0	0	113	R421 E451	R421-S467 VanDerWaalsContact CZ-O 3.26Å; R421-S467 PolarHBondContact NH1-O 3.21Å; R421-S467 PolarHBondContact NH2-O 3.11Å; E451-S467 WeakPolarHBondContact OE1-CB 3.37Å; E451-S467 PolarHBondContact OE1-OG 3.15Å; E451-S467 PolarHBondContact OE2-N 3.26Å; E451-S467 PolarHBondContact OE2-OG 3.4Å
468	G	97.6	Very high	98.4	Very high	11 Å²	11	25.2 Å²	25.2	11%	0.113	14%	0.135	C	C	.	.	S	Bend	trans	-137.9	175.3	175.1	0	0	0	0	0	112.9	T466	T466-G468 WeakPolarHBondContact CB-O 3.42Å; T466-G468 PolarHBondContact O-N 2.88Å; T466-G468 PolarHBondContact OG1-O 2.91Å
469	P	98.3	Very high	98.4	Very high	24 Å²	24	25.3 Å²	25.3	16%	0.156	14%	0.136	C	C	.	.			trans	-62.4	145.5	173.7	-23.2	36.1	0	0	0	112	A418 T420 L442 S443	A418-P469 HydrophobicContact CB-CB 3.94Å; A418-P469 WeakPolarHBondContact O-CB 3.28Å; A418-P469 WeakPolarHBondContact O-CG 3.5Å; T420-P469 CarbonylContact O-C 3.56Å; T420-P469 WeakPolarHBondContact O-CA 3.35Å; L442-P469 CarbonylContact C-O 3.55Å; L442-P469 WeakPolarHBondContact CA-O 3.43Å; L442-P469 WeakPolarHBondContact CB-O 3.4Å; S443-P469 PolarHBondContact N-O 3.09Å
470	V	98.6	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.2	-174.4	175.7	0	0	0	0	110.3	Y378 T420 F422 L442 T466 V473	Y378-V470 WeakPolarHBondContact CE1-O 3.32Å; Y378-V470 PolarHBondContact OH-O 2.8Å; T420-V470 PolarHBondContact O-N 2.87Å; F422-V470 HydrophobicContact CB-CG2 4.34Å; F422-V470 HydrophobicContact CD2-CB 3.71Å; F422-V470 HydrophobicContact CD2-CG1 4.43Å; F422-V470 HydrophobicContact CD2-CG2 3.49Å; F422-V470 VanDerWaalsContact CD2-CG2 3.49Å; F422-V470 HydrophobicContact CE2-CB 3.85Å; F422-V470 HydrophobicContact CE2-CG1 4.39Å; F422-V470 HydrophobicContact CE2-CG2 4.17Å; F422-V470 HydrophobicContact CG-CG2 4.21Å; L442-V470 HydrophobicContact CD2-CG2 3.94Å; T466-V470 HydrophobicContact CG2-CG2 3.75Å; V470-V473 HydrophobicContact CG1-CG2 3.97Å
471	L	98.7	Very high	98.3	Very high	10 Å²	10	28.5 Å²	28.5	5%	0.052	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-49.4	165.8	-66.5	177.7	0	0	0	110.1	L401 K402 V415 A418 L441 L442	L401-L471 WeakPolarHBondContact CA-O 3.11Å; K402-L471 PolarHBondContact N-O 3.34Å; V415-L471 HydrophobicContact CG1-CD2 4.2Å; V415-L471 WeakPolarHBondContact O-CD1 3.25Å; A418-L471 HydrophobicContact CB-CD2 3.89Å; L441-L471 HydrophobicContact CD2-CD1 4.14Å; L441-L471 HydrophobicContact CG-CD1 4.31Å; L441-L471 WeakPolarHBondContact O-CB 3.4Å; L441-L471 PolarHBondContact O-N 2.84Å; L442-L471 VanDerWaalsContact O-CD1 3.28Å; L442-L471 WeakPolarHBondContact O-CD1 3.32Å
472	T	98.9	Very high	98.2	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	151.4	-178.6	-164.6	0	0	0	0	113.1	E249 T399 L400 L441 T474	E249-T472 WeakPolarHBondContact OE1-CG2 3.32Å; T399-T472 PolarHBondContact OG1-OG1 2.9Å; L400-T472 CarbonylContact O-C 3.43Å; L400-T472 WeakPolarHBondContact O-CA 3.39Å; L400-T472 PolarHBondContact O-OG1 2.89Å; L441-T472 HydrophobicContact CB-CG2 3.89Å; L441-T472 PolarHBondContact N-O 2.68Å; L441-T472 PolarHBondContact O-N 2.97Å; L441-T472 VanDerWaalsContact O-N 3.13Å; T472-T474 PolarHBondContact OG1-OG1 3.21Å
473	V	98.9	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	115.3	162.5	176.5	0	0	0	0	105.9	L400 F425 L427 E439 V440 L460 V470	L400-V473 HydrophobicContact CB-CB 4.29Å; L400-V473 HydrophobicContact CD2-CB 4.38Å; L400-V473 HydrophobicContact CD2-CG2 4.37Å; L400-V473 PolarHBondContact N-O 2.94Å; L400-V473 PolarHBondContact O-N 2.86Å; F425-V473 HydrophobicContact CD1-CG2 4.09Å; F425-V473 HydrophobicContact CD2-CG1 3.78Å; F425-V473 HydrophobicContact CD2-CG2 4.16Å; F425-V473 HydrophobicContact CE1-CG2 4.02Å; F425-V473 HydrophobicContact CE2-CG1 3.73Å; F425-V473 HydrophobicContact CE2-CG2 4.11Å; F425-V473 HydrophobicContact CG-CG1 4.49Å; F425-V473 HydrophobicContact CG-CG2 4.16Å; F425-V473 HydrophobicContact CZ-CG1 4.39Å; F425-V473 HydrophobicContact CZ-CG2 4.03Å; L427-V473 HydrophobicContact CB-CG1 4.33Å; L427-V473 HydrophobicContact CD2-CG1 4.13Å; L427-V473 VanDerWaalsContact CD2-O 3.31Å; L427-V473 WeakPolarHBondContact CD2-O 3.43Å; E439-V473 CarbonylContact O-C 3.43Å; E439-V473 WeakPolarHBondContact O-CA 3.48Å; V440-V473 HydrophobicContact CG1-CG2 4.37Å; V440-V473 HydrophobicContact CG2-CG1 4.37Å; V440-V473 HydrophobicContact CG2-CG2 4.44Å; L460-V473 HydrophobicContact CD2-CG1 3.63Å; L460-V473 HydrophobicContact CG-CG1 4.05Å; V470-V473 HydrophobicContact CG1-CG2 3.97Å
474	T	98.9	Very high	97.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.5	-170.2	-58.9	0	0	0	0	111.4	H244 I397 C398 T399 E439 L460 T472 F476	H244-T474 PolarHBondContact CD2-OG1 3.31Å; H244-T474 VanDerWaalsContact CD2-OG1 3.28Å; H244-T474 PolarHBondContact NE2-OG1 2.86Å; I397-T474 HydrophobicContact CG2-CG2 3.58Å; C398-T474 CarbonylContact O-C 3.52Å; C398-T474 WeakPolarHBondContact O-CA 3.49Å; C398-T474 WeakPolarHBondContact O-CG2 3.4Å; T399-T474 WeakPolarHBondContact CB-OG1 3.09Å; T399-T474 PolarHBondContact OG1-OG1 3.31Å; E439-T474 PolarHBondContact N-O 3.38Å; E439-T474 PolarHBondContact O-N 2.75Å; E439-T474 VanDerWaalsContact OE2-CB 3.26Å; E439-T474 WeakPolarHBondContact OE2-CB 3.28Å; E439-T474 WeakPolarHBondContact OE2-CG2 3.47Å; L460-T474 WeakPolarHBondContact CD2-O 3.08Å; T472-T474 PolarHBondContact OG1-OG1 3.21Å; T474-F476 HydrophobicContact CG2-CB 4.42Å
475	L	98.9	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	104.7	164.1	-74.7	171.7	0	0	0	107.2	W316 I397 C398 L427 F431 V436 P438 L460	W316-L475 HydrophobicContact CE3-CD2 4.13Å; W316-L475 HydrophobicContact CH2-CD2 4.16Å; W316-L475 HydrophobicContact CZ3-CD2 3.48Å; W316-L475 VanDerWaalsContact CZ3-CD2 3.48Å; I397-L475 WeakPolarHBondContact CA-O 3.42Å; C398-L475 HydrophobicContact CB-CB 4.43Å; C398-L475 PolarHBondContact N-O 3.45Å; C398-L475 VanDerWaalsContact N-O 3.14Å; C398-L475 PolarHBondContact O-N 2.78Å; L427-L475 HydrophobicContact CD2-CD1 4.44Å; L427-L475 HydrophobicContact CD2-CG 4.22Å; L427-L475 HydrophobicContact CG-CD1 4.18Å; L427-L475 HydrophobicContact CG-CG 4.49Å; F431-L475 HydrophobicContact CE1-CB 4.4Å; F431-L475 HydrophobicContact CE2-CB 3.78Å; F431-L475 HydrophobicContact CE2-CD1 3.76Å; F431-L475 HydrophobicContact CE2-CG 4.38Å; F431-L475 HydrophobicContact CZ-CB 3.4Å; F431-L475 HydrophobicContact CZ-CD1 4.24Å; F431-L475 HydrophobicContact CZ-CG 4.45Å; F431-L475 WeakPolarHBondContact CZ-O 3.32Å; V436-L475 HydrophobicContact CG1-CB 3.81Å; V436-L475 HydrophobicContact CG1-CD2 3.85Å; V436-L475 HydrophobicContact CG1-CG 4.4Å; P438-L475 HydrophobicContact CB-CD2 4.06Å; L460-L475 HydrophobicContact CB-CD1 4.47Å; L460-L475 HydrophobicContact CB-CD2 3.95Å; L460-L475 HydrophobicContact CB-CG 4.26Å; L460-L475 HydrophobicContact CD2-CD2 4.2Å; L460-L475 HydrophobicContact CD2-CG 4.37Å
476	F	98.9	Very high	93.3	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	106	-175.5	-166.9	-71	0	0	0	110.5	H244 L245 F250 L395 I397 V436 F437 T474 R478	H244-F476 HydrophobicContact CB-CD2 4.08Å; H244-F476 HydrophobicContact CB-CE2 4.2Å; L245-F476 HydrophobicContact CD2-CE2 4.33Å; L245-F476 HydrophobicContact CD2-CZ 4.41Å; F250-F476 AromaticContact CE2-CD1 3.7Å; F250-F476 HydrophobicContact CE2-CD1 3.7Å; F250-F476 HydrophobicContact CE2-CD2 4.33Å; F250-F476 AromaticContact CE2-CE1 3.84Å; F250-F476 HydrophobicContact CE2-CE1 3.84Å; F250-F476 HydrophobicContact CE2-CE2 4.47Å; F250-F476 AromaticContact CE2-CG 3.95Å; F250-F476 HydrophobicContact CE2-CG 3.95Å; F250-F476 HydrophobicContact CE2-CZ 4.24Å; F250-F476 HydrophobicContact CZ-CD1 4.43Å; F250-F476 HydrophobicContact CZ-CE1 4.34Å; L395-F476 HydrophobicContact CD1-CZ 4.14Å; L395-F476 HydrophobicContact CD2-CE1 3.58Å; L395-F476 HydrophobicContact CD2-CZ 3.64Å; L395-F476 HydrophobicContact CG-CZ 4.49Å; I397-F476 HydrophobicContact CD1-CD2 3.68Å; I397-F476 HydrophobicContact CD1-CE2 3.55Å; I397-F476 HydrophobicContact CD1-CG 4.35Å; I397-F476 HydrophobicContact CD1-CZ 4.14Å; I397-F476 HydrophobicContact CG1-CD2 4.13Å; I397-F476 HydrophobicContact CG1-CE2 4.4Å; I397-F476 HydrophobicContact CG1-CG 4.36Å; V436-F476 CarbonylContact C-O 3.56Å; V436-F476 WeakPolarHBondContact CA-O 3.32Å; F437-F476 HydrophobicContact CB-CB 4.39Å; F437-F476 HydrophobicContact CD2-CD1 4.07Å; F437-F476 VanDerWaalsContact CD2-O 3.28Å; F437-F476 WeakPolarHBondContact CD2-O 3.29Å; F437-F476 PolarHBondContact N-O 2.83Å; F437-F476 PolarHBondContact O-N 3.1Å; T474-F476 HydrophobicContact CG2-CB 4.42Å; F476-R478 HydrophobicContact CD1-CG 4.49Å; F476-R478 HydrophobicContact CE1-CG 4.2Å
477	G	98.8	Very high	90.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.8	-176.2	0	0	0	0	0	113.7	L395 Q396 Y435	L395-G477 WeakPolarHBondContact CA-O 3.33Å; Q396-G477 PolarHBondContact N-O 3.42Å; Q396-G477 WeakPolarHBondContact O-CA 3.43Å; Q396-G477 PolarHBondContact O-N 3.2Å; Y435-G477 WeakPolarHBondContact O-CA 3.23Å
478	R	98.6	Very high	87.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.2	174.6	-70.9	-70	-74.6	111.7	3.2	112.1	L215 Y394 T433 Y435 F437 F476 Y480 D483	L215-R478 VanDerWaalsContact O-CZ 3.31Å; L215-R478 PolarHBondContact O-NE 3.49Å; L215-R478 PolarHBondContact O-NH2 3.01Å; Y394-R478 PolarHBondContact O-NH1 2.99Å; T433-R478 VanDerWaalsContact CB-O 3.27Å; T433-R478 WeakPolarHBondContact CB-O 3.44Å; T433-R478 WeakPolarHBondContact CG2-O 3.48Å; T433-R478 PolarHBondContact OG1-O 3.37Å; Y435-R478 PolarHBondContact O-N 2.83Å; F437-R478 HydrophobicContact CE2-CB 4.32Å; F437-R478 HydrophobicContact CE2-CG 3.73Å; F476-R478 HydrophobicContact CD1-CG 4.49Å; F476-R478 HydrophobicContact CE1-CG 4.2Å; R478-Y480 HydrophobicContact CB-CD1 4.29Å; R478-Y480 HydrophobicContact CB-CD2 4.34Å; R478-Y480 HydrophobicContact CB-CE1 3.81Å; R478-Y480 HydrophobicContact CB-CE2 3.86Å; R478-Y480 HydrophobicContact CG-CE1 4.19Å; R478-D483 IonicContact CZ-OD1 3.44Å; R478-D483 IonicContact CZ-OD2 3.83Å; R478-D483 IonicContact NH1-OD1 3.38Å; R478-D483 PolarHBondContact NH1-OD1 2.83Å; R478-D483 IonicContact NH1-OD2 2.83Å; R478-D483 IonicContact NH2-OD1 3.93Å; R478-D483 PolarHBondContact NH2-OD1 3.03Å; R478-D483 IonicContact NH2-OD2 3.2Å; R478-D483 PolarHBondContact NH2-OD2 2.96Å
479	L	98.4	Very high	84.8	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	23%	0.233	C	C	.	.			trans	-111.8	75.2	173.5	-71.9	79.7	0	0	0	108.6	Y394 Q396 T433 E481 K482	Y394-L479 HydrophobicContact CD1-CB 3.9Å; Y394-L479 HydrophobicContact CD1-CD1 4.19Å; Y394-L479 HydrophobicContact CD1-CD2 4.2Å; Y394-L479 HydrophobicContact CD1-CG 4.31Å; Y394-L479 HydrophobicContact CE1-CD2 4.23Å; Y394-L479 HydrophobicContact CG-CB 4.39Å; Y394-L479 PolarHBondContact O-N 3.32Å; Y394-L479 VanDerWaalsContact O-N 3.16Å; Q396-L479 HydrophobicContact CB-CD1 3.78Å; Q396-L479 HydrophobicContact CG-CD1 3.58Å; T433-L479 HydrophobicContact CG2-CD1 3.87Å; T433-L479 HydrophobicContact CG2-CG 4.36Å; L479-E481 PolarHBondContact O-N 3.24Å; L479-E481 VanDerWaalsContact O-N 3.15Å; L479-K482 HydrophobicContact CB-CB 4.31Å; L479-K482 HydrophobicContact CB-CD 4.22Å; L479-K482 HydrophobicContact CB-CG 4.34Å; L479-K482 HydrophobicContact CD2-CD 3.77Å; L479-K482 PolarHBondContact O-N 3.45Å
480	Y	97.9	Very high	82	Confident	17 Å²	17	44.5 Å²	44.5	7%	0.067	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-54.8	-35.1	-171.8	-60.2	-71.2	0	0	0	113.3	F216 H217 V221 Y435 R478 K482 D483	F216-Y480 VanDerWaalsContact C-CE1 3.43Å; H217-Y480 HydrophobicContact CB-CD1 3.91Å; H217-Y480 HydrophobicContact CB-CG 3.92Å; H217-Y480 AromaticContact CD2-CD2 3.97Å; V221-Y480 HydrophobicContact CG2-CD2 4.36Å; V221-Y480 HydrophobicContact CG2-CE1 4.35Å; V221-Y480 HydrophobicContact CG2-CE2 3.59Å; V221-Y480 WeakPolarHBondContact CG2-OH 3.32Å; Y435-Y480 HydrophobicContact CD1-CE2 4.12Å; Y435-Y480 AromaticContact CD2-CD2 3.65Å; Y435-Y480 HydrophobicContact CD2-CD2 3.65Å; Y435-Y480 AromaticContact CD2-CE2 3.57Å; Y435-Y480 HydrophobicContact CD2-CE2 3.57Å; Y435-Y480 AromaticContact CE2-CD2 3.99Å; Y435-Y480 HydrophobicContact CE2-CD2 3.99Å; Y435-Y480 HydrophobicContact CE2-CE2 4.14Å; Y435-Y480 HydrophobicContact CG-CD2 4.15Å; Y435-Y480 AromaticContact CG-CE2 3.55Å; Y435-Y480 HydrophobicContact CG-CE2 3.55Å; R478-Y480 HydrophobicContact CB-CD1 4.29Å; R478-Y480 HydrophobicContact CB-CD2 4.34Å; R478-Y480 HydrophobicContact CB-CE1 3.81Å; R478-Y480 HydrophobicContact CB-CE2 3.86Å; R478-Y480 HydrophobicContact CG-CE1 4.19Å; Y480-K482 PolarHBondContact O-N 3.33Å; Y480-K482 VanDerWaalsContact O-N 3.16Å; Y480-D483 PolarHBondContact O-N 3.24Å
481	E	96.9	Very high	79	Confident	124 Å²	124	46.5 Å²	46.5	58%	0.579	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-65.6	-16.1	178.4	74.5	-70.7	169	0	0	113.9	L479	L479-E481 PolarHBondContact O-N 3.24Å; L479-E481 VanDerWaalsContact O-N 3.15Å
482	K	97.3	Very high	76.1	Confident	66 Å²	66	52 Å²	52	29%	0.287	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-99.9	-5.3	-179.7	-66.8	-173.2	-177.9	171.5	0	114.3	Y394 L479 Y480 W484 A485	Y394-K482 HydrophobicContact CD1-CB 4.24Å; Y394-K482 HydrophobicContact CD1-CD 4.02Å; Y394-K482 HydrophobicContact CD2-CB 3.56Å; Y394-K482 HydrophobicContact CD2-CD 4.06Å; Y394-K482 HydrophobicContact CD2-CG 4.48Å; Y394-K482 HydrophobicContact CE1-CD 3.93Å; Y394-K482 HydrophobicContact CE2-CB 4.24Å; Y394-K482 HydrophobicContact CE2-CD 3.97Å; Y394-K482 HydrophobicContact CG-CB 3.55Å; Y394-K482 HydrophobicContact CG-CD 4.08Å; Y394-K482 HydrophobicContact CG-CG 4.49Å; L479-K482 HydrophobicContact CB-CB 4.31Å; L479-K482 HydrophobicContact CB-CD 4.22Å; L479-K482 HydrophobicContact CB-CG 4.34Å; L479-K482 HydrophobicContact CD2-CD 3.77Å; L479-K482 PolarHBondContact O-N 3.45Å; Y480-K482 PolarHBondContact O-N 3.33Å; Y480-K482 VanDerWaalsContact O-N 3.16Å; K482-W484 PolarHBondContact O-N 2.87Å; K482-A485 HydrophobicContact CB-CB 4.49Å; K482-A485 PolarHBondContact O-N 2.65Å
483	D	94.6	Very high	73.4	Confident	7 Å²	7	56 Å²	56	4%	0.037	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-39.8	-179.5	-68.2	-4.5	0	0	0	111.5	R392 Y393 Y394 R478 Y480	R392-D483 PolarHBondContact NE-O 3.35Å; Y393-D483 WeakPolarHBondContact CA-OD1 3.35Å; Y394-D483 PolarHBondContact N-OD1 3.06Å; R478-D483 IonicContact CZ-OD1 3.44Å; R478-D483 IonicContact CZ-OD2 3.83Å; R478-D483 IonicContact NH1-OD1 3.38Å; R478-D483 PolarHBondContact NH1-OD1 2.83Å; R478-D483 IonicContact NH1-OD2 2.83Å; R478-D483 IonicContact NH2-OD1 3.93Å; R478-D483 PolarHBondContact NH2-OD1 3.03Å; R478-D483 IonicContact NH2-OD2 3.2Å; R478-D483 PolarHBondContact NH2-OD2 2.96Å; Y480-D483 PolarHBondContact O-N 3.24Å
484	W	85.3	Confident	70.6	Confident	187 Å²	187	60.1 Å²	60.1	71%	0.708	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	12.4	-178	-57	106.6	0	0	0	114.1	K482 S486	K482-W484 PolarHBondContact O-N 2.87Å; W484-S486 PolarHBondContact O-N 2.83Å
485	A	63.9	Low	67.7	Low	60 Å²	60	66.4 Å²	66.4	50%	0.496	38%	0.381	S	S	.	.			trans	-66.2	86.5	173.5	0	0	0	0	0	109.6	K482	K482-A485 HydrophobicContact CB-CB 4.49Å; K482-A485 PolarHBondContact O-N 2.65Å
486	S	45.1	Very low	65.1	Low	83 Å²	83	69.2 Å²	69.2	58%	0.58	40%	0.404	S	S	*	.			trans	-57.6	155.3	154.6	61.7	0	0	0	0	108.2	W484 A488	W484-S486 PolarHBondContact O-N 2.83Å; S486-A488 PolarHBondContact O-N 3.28Å
487	N	40.7	Very low	62.4	Low	139 Å²	139	78.4 Å²	78.4	74%	0.743	44%	0.438	S	S	*	.			trans	-56.9	78.3	164.3	-79	-34.7	0	0	0	109.5	S489 S490	N487-S489 PolarHBondContact O-N 3.07Å; N487-S490 PolarHBondContact O-N 3.49Å; N487-S490 PolarHBondContact O-OG 3.48Å
488	A	36.2	Very low	59.7	Low	59 Å²	59	87.1 Å²	87.1	49%	0.488	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	15.8	-179.6	0	0	0	0	0	111.7	S486	S486-A488 PolarHBondContact O-N 3.28Å
489	S	36.7	Very low	57.3	Low	94 Å²	94	92.1 Å²	92.1	66%	0.657	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-13.2	166.6	58.5	0	0	0	0	113.2	N487 T493	N487-S489 PolarHBondContact O-N 3.07Å; S489-T493 PolarHBondContact O-OG1 2.84Å
490	S	39.2	Very low	54.7	Low	82 Å²	82	98.3 Å²	98.3	57%	0.573	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-17.7	178.9	63.6	0	0	0	0	115.1	N487 V494	N487-S490 PolarHBondContact O-N 3.49Å; N487-S490 PolarHBondContact O-OG 3.48Å; S490-V494 WeakPolarHBondContact O-CG2 3.29Å
491	G	37.1	Very low	52.3	Low	42 Å²	42	103.6 Å²	103.6	43%	0.433	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90	-39	179.7	0	0	0	0	0	114.3	T493 V494 Q495	G491-T493 VanDerWaalsContact C-N 3.31Å; G491-T493 PolarHBondContact O-N 3.48Å; G491-V494 PolarHBondContact O-N 3.3Å; G491-Q495 PolarHBondContact O-N 3.22Å; G491-Q495 VanDerWaalsContact O-N 3.14Å
492	L	37.7	Very low	50.2	Low	124 Å²	124	103.6 Å²	103.6	65%	0.649	56%	0.559	S	S	*	*	H	α-helix	trans	-67.8	-29.3	-179.7	-86.9	152.9	0	0	0	112.6	A496	L492-A496 WeakPolarHBondContact O-CB 3.2Å; L492-A496 PolarHBondContact O-N 3.28Å
493	T	40.7	Very low	48	Very low	85 Å²	85	104.2 Å²	104.2	52%	0.521	57%	0.568	S	S	.	*	H	α-helix	trans	-75.6	-28.2	176.1	31.7	0	0	0	0	113.2	S489 G491 R497	S489-T493 PolarHBondContact O-OG1 2.84Å; G491-T493 VanDerWaalsContact C-N 3.31Å; G491-T493 PolarHBondContact O-N 3.48Å; T493-R497 WeakPolarHBondContact O-CB 2.89Å; T493-R497 WeakPolarHBondContact O-CG 3.47Å; T493-R497 PolarHBondContact O-N 2.92Å; T493-R497 VanDerWaalsContact O-N 3.16Å
494	V	40	Very low	46	Very low	88 Å²	88	108.1 Å²	108.1	53%	0.533	59%	0.588	S	S	.	*	H	α-helix	trans	-80.5	-37.5	176.7	178.4	0	0	0	0	111.2	S490 G491 R498	S490-V494 WeakPolarHBondContact O-CG2 3.29Å; G491-V494 PolarHBondContact O-N 3.3Å; V494-R498 PolarHBondContact O-N 3.48Å; V494-R498 VanDerWaalsContact O-N 3.11Å
495	Q	39.8	Very low	44.2	Very low	132 Å²	132	102.2 Å²	102.2	62%	0.617	58%	0.579	S	S	*	*	H	α-helix	trans	-73.9	-38.4	176.7	-145.5	170	8.6	0	0	111.7	G491 R498 I499	G491-Q495 PolarHBondContact O-N 3.22Å; G491-Q495 VanDerWaalsContact O-N 3.14Å; Q495-R498 PolarHBondContact O-N 3.2Å; Q495-I499 WeakPolarHBondContact O-CG1 3.42Å; Q495-I499 PolarHBondContact O-N 3.03Å
496	A	42.5	Very low	43.3	Very low	59 Å²	59	102.7 Å²	102.7	49%	0.488	58%	0.577	S	S	.	*	H	α-helix	trans	-65.9	-35.8	172.6	0	0	0	0	0	112.8	L492 I499 M500	L492-A496 WeakPolarHBondContact O-CB 3.2Å; L492-A496 PolarHBondContact O-N 3.28Å; A496-I499 PolarHBondContact O-N 3.44Å; A496-M500 PolarHBondContact O-N 3.42Å
497	R	42.3	Very low	43.6	Very low	196 Å²	196	103.2 Å²	103.2	74%	0.74	57%	0.572	S	S	*	*	H	α-helix	trans	-68.3	-35.5	173.4	-86.1	-174.5	172.3	-162.7	-0.7	113.1	T493 L501	T493-R497 WeakPolarHBondContact O-CB 2.89Å; T493-R497 WeakPolarHBondContact O-CG 3.47Å; T493-R497 PolarHBondContact O-N 2.92Å; T493-R497 VanDerWaalsContact O-N 3.16Å; R497-L501 PolarHBondContact O-N 2.98Å
498	R	42.8	Very low	44.1	Very low	184 Å²	184	100.3 Å²	100.3	69%	0.694	56%	0.56	S	S	*	*	H	α-helix	trans	-69	-38.6	174.5	-82.3	-172.3	174.9	-164.5	0	112.3	V494 Q495 L501 I502	V494-R498 PolarHBondContact O-N 3.48Å; V494-R498 VanDerWaalsContact O-N 3.11Å; Q495-R498 PolarHBondContact O-N 3.2Å; R498-L501 PolarHBondContact O-N 3.29Å; R498-I502 WeakPolarHBondContact O-CD1 3.43Å; R498-I502 VanDerWaalsContact O-CG1 3.28Å; R498-I502 WeakPolarHBondContact O-CG1 3.31Å; R498-I502 PolarHBondContact O-N 3.49Å; R498-I502 VanDerWaalsContact O-N 3.15Å
499	I	47.3	Very low	44.6	Very low	104 Å²	104	106.1 Å²	106.1	53%	0.533	57%	0.57	S	S	.	*	H	α-helix	trans	-70.3	-39.1	177.7	-65.6	168.2	0	0	0	111	Q495 A496 L501 I502 V503	Q495-I499 WeakPolarHBondContact O-CG1 3.42Å; Q495-I499 PolarHBondContact O-N 3.03Å; A496-I499 PolarHBondContact O-N 3.44Å; I499-L501 PolarHBondContact O-N 3.08Å; I499-I502 PolarHBondContact O-N 2.91Å; I499-V503 HydrophobicContact CG2-CG2 4.28Å; I499-V503 WeakPolarHBondContact O-CB 3.27Å; I499-V503 VanDerWaalsContact O-CG2 3.29Å; I499-V503 WeakPolarHBondContact O-CG2 2.94Å; I499-V503 PolarHBondContact O-N 3.03Å
500	M	45.4	Very low	45.1	Very low	132 Å²	132	106.1 Å²	106.1	65%	0.65	57%	0.57	S	S	*	*	H	α-helix	trans	-62.5	-39.5	173.9	-107.5	-156.8	-157.5	0	0	113.1	A496 I504	A496-M500 PolarHBondContact O-N 3.42Å; M500-I504 HydrophobicContact CB-CD1 4.31Å; M500-I504 HydrophobicContact CG-CD1 4.01Å; M500-I504 VanDerWaalsContact O-CB 3.31Å; M500-I504 WeakPolarHBondContact O-CB 3.48Å; M500-I504 VanDerWaalsContact O-CG1 3.22Å; M500-I504 WeakPolarHBondContact O-CG1 3.42Å; M500-I504 PolarHBondContact O-N 3.34Å; M500-I504 HydrophobicContact SD-CD1 4.06Å
501	L	46.8	Very low	45.6	Very low	129 Å²	129	109 Å²	109	68%	0.675	58%	0.578	S	S	*	*	H	α-helix	trans	-70.4	-33	179	-85.6	157.5	0	0	0	112.8	R497 R498 I499 A505	R497-L501 PolarHBondContact O-N 2.98Å; R498-L501 PolarHBondContact O-N 3.29Å; I499-L501 PolarHBondContact O-N 3.08Å; L501-A505 WeakPolarHBondContact O-CB 3.4Å; L501-A505 PolarHBondContact O-N 3.4Å
502	I	53.2	Low	46.3	Very low	123 Å²	123	113 Å²	113	63%	0.631	59%	0.589	S	S	*	*	H	α-helix	trans	-76.4	-30.5	178.1	-67.7	168.4	0	0	0	111.7	R498 I499 P506	R498-I502 WeakPolarHBondContact O-CD1 3.43Å; R498-I502 VanDerWaalsContact O-CG1 3.28Å; R498-I502 WeakPolarHBondContact O-CG1 3.31Å; R498-I502 PolarHBondContact O-N 3.49Å; R498-I502 VanDerWaalsContact O-N 3.15Å; I499-I502 PolarHBondContact O-N 2.91Å; I502-P506 WeakPolarHBondContact O-CD 3.32Å; I502-P506 VanDerWaalsContact O-CG 3.31Å; I502-P506 WeakPolarHBondContact O-CG 3.21Å
503	V	51.6	Low	46.7	Very low	80 Å²	80	120.4 Å²	120.4	49%	0.485	61%	0.608	S	S	.	*	H	α-helix	trans	-90	-29.3	-177.9	178.6	0	0	0	0	112.7	I499 P506 I507	I499-V503 HydrophobicContact CG2-CG2 4.28Å; I499-V503 WeakPolarHBondContact O-CB 3.27Å; I499-V503 VanDerWaalsContact O-CG2 3.29Å; I499-V503 WeakPolarHBondContact O-CG2 2.94Å; I499-V503 PolarHBondContact O-N 3.03Å; V503-P506 WeakPolarHBondContact O-CD 3.34Å; V503-I507 HydrophobicContact CG1-CD1 4.12Å; V503-I507 VanDerWaalsContact O-CD1 3.23Å; V503-I507 WeakPolarHBondContact O-CD1 3.41Å; V503-I507 VanDerWaalsContact O-CG1 3.3Å; V503-I507 WeakPolarHBondContact O-CG1 3.42Å
504	I	51.1	Low	47	Very low	89 Å²	89	122.2 Å²	122.2	46%	0.456	61%	0.612	S	S	.	*	H	α-helix	trans	-86.5	-32.2	-177.7	-62.2	170.8	0	0	0	112.2	M500 I507 V508	M500-I504 HydrophobicContact CB-CD1 4.31Å; M500-I504 HydrophobicContact CG-CD1 4.01Å; M500-I504 VanDerWaalsContact O-CB 3.31Å; M500-I504 WeakPolarHBondContact O-CB 3.48Å; M500-I504 VanDerWaalsContact O-CG1 3.22Å; M500-I504 WeakPolarHBondContact O-CG1 3.42Å; M500-I504 PolarHBondContact O-N 3.34Å; M500-I504 HydrophobicContact SD-CD1 4.06Å; I504-I507 PolarHBondContact O-N 2.86Å; I504-V508 HydrophobicContact CG2-CG2 4.12Å; I504-V508 WeakPolarHBondContact O-CG2 3.07Å; I504-V508 PolarHBondContact O-N 3.28Å
505	A	48.2	Very low	47.3	Very low	63 Å²	63	124 Å²	124	52%	0.521	62%	0.617	S	S	.	*	H	α-helix	trans	-60.5	-37.8	179.9	0	0	0	0	0	114.8	L501	L501-A505 WeakPolarHBondContact O-CB 3.4Å; L501-A505 PolarHBondContact O-N 3.4Å
506	P	45.8	Very low	47.8	Very low	70 Å²	70	123.6 Å²	123.6	46%	0.455	62%	0.617	S	S	.	*	H	α-helix	trans	-79.2	-27.2	177.5	-11.1	27.7	0	0	0	113.5	I502 V503 Y509 S510	I502-P506 WeakPolarHBondContact O-CD 3.32Å; I502-P506 VanDerWaalsContact O-CG 3.31Å; I502-P506 WeakPolarHBondContact O-CG 3.21Å; V503-P506 WeakPolarHBondContact O-CD 3.34Å; P506-Y509 PolarHBondContact O-N 3.18Å; P506-S510 PolarHBondContact O-N 3.2Å; P506-S510 PolarHBondContact O-OG 2.86Å
507	I	51	Low	48.1	Very low	93 Å²	93	127.4 Å²	127.4	48%	0.477	62%	0.624	S	S	.	*	H	α-helix	trans	-73.4	-36.4	-178.8	-64	175.3	0	0	0	110.7	V503 I504 Y509 S510 L511	V503-I507 HydrophobicContact CG1-CD1 4.12Å; V503-I507 VanDerWaalsContact O-CD1 3.23Å; V503-I507 WeakPolarHBondContact O-CD1 3.41Å; V503-I507 VanDerWaalsContact O-CG1 3.3Å; V503-I507 WeakPolarHBondContact O-CG1 3.42Å; I504-I507 PolarHBondContact O-N 2.86Å; I507-Y509 VanDerWaalsContact C-N 3.35Å; I507-S510 PolarHBondContact O-N 2.9Å; I507-L511 HydrophobicContact CG2-CD1 4.25Å
508	V	50.9	Low	48.4	Very low	79 Å²	79	123.1 Å²	123.1	48%	0.479	62%	0.617	S	S	.	*	H	α-helix	trans	-70.3	-32.7	175.3	179.1	0	0	0	0	111.7	I504 S510 I512	I504-V508 HydrophobicContact CG2-CG2 4.12Å; I504-V508 WeakPolarHBondContact O-CG2 3.07Å; I504-V508 PolarHBondContact O-N 3.28Å; V508-S510 VanDerWaalsContact C-N 3.31Å; V508-S510 PolarHBondContact O-N 2.7Å; V508-I512 HydrophobicContact CG1-CD1 4.21Å
509	Y	45.9	Very low	48.8	Very low	181 Å²	181	119 Å²	119	71%	0.71	61%	0.612	S	S	*	*	H	α-helix	trans	-72.5	-24.2	177.7	-129.6	-88.9	0	0	0	113.3	P506 I507	P506-Y509 PolarHBondContact O-N 3.18Å; I507-Y509 VanDerWaalsContact C-N 3.35Å
510	S	48.2	Very low	48.9	Very low	93 Å²	93	120.1 Å²	120.1	65%	0.65	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-6.4	-179.2	-51.3	0	0	0	0	114	P506 I507 V508	P506-S510 PolarHBondContact O-N 3.2Å; P506-S510 PolarHBondContact O-OG 2.86Å; I507-S510 PolarHBondContact O-N 2.9Å; V508-S510 VanDerWaalsContact C-N 3.31Å; V508-S510 PolarHBondContact O-N 2.7Å
511	L	49.2	Very low	49.2	Very low	142 Å²	142	119.2 Å²	119.2	74%	0.743	62%	0.615	S	S	*	*	S	Bend	trans	-110.9	1.2	-178.3	-77	165.3	0	0	0	113.4	I507	I507-L511 HydrophobicContact CG2-CD1 4.25Å
512	I	51.5	Low	49.4	Very low	127 Å²	127	118.3 Å²	118.3	65%	0.651	61%	0.61	S	S	*	*			trans	-122.3	8.8	-177.4	-60.6	178.9	0	0	0	112.5	V508	V508-I512 HydrophobicContact CG1-CD1 4.21Å
513	W	46.3	Very low	49.1	Very low	280 Å²	280	117.9 Å²	117.9	100%	1.061	61%	0.608	S	S	*	*			trans	-129.8	0	171.2	-82	72.9	0	0	0	112.1

Retrieved 513 of 513 residues in 1113.5 ms (Link to these results)

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