A0A093H8V2_STRCA Loading...

Glycogen [starch] synthase

Glycogen synthase participates in the glycogen biosynthetic process along with glycogenin and glycogen branching enzyme. Extends the primer composed of a few glucose units formed by glycogenin by adding new glucose units to it. In this context, glycogen synthase transfers the glycosyl residue from UDP-Glc to the non-reducing end of alpha-1,4-glucan. Transfers the glycosyl residue from UDP-Glc to the non-reducing end of alpha-1,4-glucan.

AlphaFold DB , UniProt , Accession A0A093H8V2, Species STRCA (Struthio camelus australis), Gene n/a, Length 704 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.4	Very low	28.2	Very low	237 Å²	237	128.6 Å²	128.6	100%	1.167	70%	0.704	S	S	*	*				0	107	0	-71.1	-178.7	-176	0	0	108.3
2	P	26.8	Very low	29.5	Very low	130 Å²	130	119.9 Å²	119.9	84%	0.844	66%	0.656	S	S	*	*			trans	-88.1	129	169.4	22	-7.3	0	0	0	109.4	A4	P2-A4 PolarHBondContact O-N 3.29Å
3	L	22.4	Very low	30	Very low	170 Å²	170	121.8 Å²	121.8	89%	0.89	67%	0.665	S	S	*	*			trans	-52.8	123.5	177.1	-75.8	142	0	0	0	111.1	R5	L3-R5 PolarHBondContact O-N 3.4Å; L3-R5 VanDerWaalsContact O-N 3.16Å
4	A	22.9	Very low	30.5	Very low	96 Å²	96	115.8 Å²	115.8	79%	0.793	65%	0.645	S	S	*	*			trans	-60.4	113	168.1	0	0	0	0	0	109.3	P2 S6	P2-A4 PolarHBondContact O-N 3.29Å; A4-S6 PolarHBondContact O-N 3.34Å; A4-S6 VanDerWaalsContact O-N 3.1Å
5	R	23.1	Very low	31.2	Very low	255 Å²	255	108.9 Å²	108.9	96%	0.962	61%	0.607	S	S	*	*			trans	-74.5	91	166.2	-78.6	-179.6	172	174.5	-3.2	108.4	L3	L3-R5 PolarHBondContact O-N 3.4Å; L3-R5 VanDerWaalsContact O-N 3.16Å
6	S	24.6	Very low	31.7	Very low	95 Å²	95	105.6 Å²	105.6	66%	0.664	59%	0.591	S	S	*	*			trans	-98.1	141	161	97	0	0	0	0	106.5	A4	A4-S6 PolarHBondContact O-N 3.34Å; A4-S6 VanDerWaalsContact O-N 3.1Å
7	L	25	Very low	32.2	Very low	151 Å²	151	109.6 Å²	109.6	79%	0.791	60%	0.604	S	S	*	*			cis	-152.6	144.8	15.7	-88.6	134.8	0	0	0	107	M9	L7-M9 PolarHBondContact O-N 2.95Å
8	S	28.5	Very low	33.1	Very low	78 Å²	78	106.3 Å²	106.3	55%	0.545	58%	0.581	S	S	.	*			trans	-65.4	112.9	157.5	169.1	0	0	0	0	107.5	T10	S8-T10 PolarHBondContact O-N 3.38Å
9	M	29.8	Very low	33.5	Very low	148 Å²	148	111.2 Å²	111.2	73%	0.729	60%	0.6	S	S	*	*			trans	-69.1	94.4	171.4	-75.7	-170.5	75.3	0	0	108.6	L7	L7-M9 PolarHBondContact O-N 2.95Å
10	T	38.4	Very low	34.4	Very low	26 Å²	26	108.5 Å²	108.5	16%	0.16	59%	0.585	C	S	.	*			trans	-82.9	140.1	171.2	56.7	0	0	0	0	109.3	S8 L12	S8-T10 PolarHBondContact O-N 3.38Å; T10-L12 PolarHBondContact O-N 2.95Å
11	S	40.7	Very low	35.4	Very low	29 Å²	29	111.5 Å²	111.5	20%	0.203	60%	0.595	C	S	.	*	G	3₁₀ helix	trans	-61.1	-5.4	168.4	60.4	0	0	0	0	113	D595	S11-D595 PolarHBondContact OG-OD2 3.01Å
12	L	44.1	Very low	37.1	Very low	24 Å²	24	107.4 Å²	107.4	13%	0.126	58%	0.578	C	S	.	*	G	3₁₀ helix	trans	-86.4	-2.5	-171.6	-65.5	165.7	0	0	0	113.8	T10 G14 L15 D595	T10-L12 PolarHBondContact O-N 2.95Å; L12-G14 PolarHBondContact O-N 3.07Å; L12-L15 HydrophobicContact CB-CD1 4.01Å; L12-L15 HydrophobicContact CD2-CD1 3.23Å; L12-L15 HydrophobicContact CD2-CG 4.09Å; L12-L15 HydrophobicContact CG-CD1 4.19Å; L12-L15 WeakPolarHBondContact O-CB 3.37Å; L12-L15 PolarHBondContact O-N 3.02Å; L12-D595 HydrophobicContact CD2-CB 4.11Å; L12-D595 HydrophobicContact CG-CB 4.3Å
13	N	36.3	Very low	39.4	Very low	145 Å²	145	102.3 Å²	102.3	78%	0.775	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-62.3	-12.7	177.8	-78.9	-5.2	0	0	0	113.9
14	G	37	Very low	42.1	Very low	37 Å²	37	97 Å²	97	38%	0.381	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-96.3	-0.9	174.7	0	0	0	0	0	115	L12	L12-G14 PolarHBondContact O-N 3.07Å
15	L	40.3	Very low	45	Very low	13 Å²	13	93.7 Å²	93.7	7%	0.068	49%	0.489	C	S	.	.	S	Bend	trans	-72.8	137.5	173.5	-73.1	173.2	0	0	0	109.6	L12 Q17 Y601 F635	L12-L15 HydrophobicContact CB-CD1 4.01Å; L12-L15 HydrophobicContact CD2-CD1 3.23Å; L12-L15 HydrophobicContact CD2-CG 4.09Å; L12-L15 HydrophobicContact CG-CD1 4.19Å; L12-L15 WeakPolarHBondContact O-CB 3.37Å; L12-L15 PolarHBondContact O-N 3.02Å; L15-Q17 PolarHBondContact O-N 2.94Å; L15-Y601 HydrophobicContact CD1-CD2 3.28Å; L15-Y601 HydrophobicContact CD1-CE2 3.58Å; L15-Y601 HydrophobicContact CD1-CG 4.12Å; L15-Y601 HydrophobicContact CD2-CD2 4.16Å; L15-Y601 HydrophobicContact CD2-CE2 3.58Å; L15-Y601 HydrophobicContact CG-CD2 4.34Å; L15-Y601 HydrophobicContact CG-CE2 4.18Å; L15-F635 HydrophobicContact CD2-CD1 4.22Å; L15-F635 HydrophobicContact CD2-CD2 3.68Å; L15-F635 HydrophobicContact CD2-CE1 3.98Å; L15-F635 HydrophobicContact CD2-CE2 3.35Å; L15-F635 HydrophobicContact CD2-CG 4.09Å; L15-F635 HydrophobicContact CD2-CZ 3.53Å; L15-F635 HydrophobicContact CG-CE2 4.31Å
16	P	39.1	Very low	47.8	Very low	56 Å²	56	90.1 Å²	90.1	36%	0.364	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-53.6	121.9	169.7	21.2	-29	0	0	0	108.2	W18 R604	P16-W18 PolarHBondContact O-N 2.72Å; P16-R604 PolarHBondContact O-NH1 3.04Å
17	Q	41.3	Very low	50.7	Low	173 Å²	173	90.4 Å²	90.4	81%	0.808	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-59.5	121.4	159.1	-78.2	176.5	-23.5	0	0	104.7	L15 E19	L15-Q17 PolarHBondContact O-N 2.94Å; Q17-E19 PolarHBondContact O-N 3.47Å; Q17-E19 VanDerWaalsContact O-N 3.1Å
18	W	47.7	Very low	53.8	Low	50 Å²	50	83.3 Å²	83.3	19%	0.189	44%	0.44	C	S	.	.			trans	-63.1	115.2	165.1	-71.5	2.5	0	0	0	104.4	P16 D20 R604 Y605 H608 P630	P16-W18 PolarHBondContact O-N 2.72Å; W18-D20 PolarHBondContact O-N 3.09Å; W18-R604 HydrophobicContact CD2-CB 4.24Å; W18-R604 HydrophobicContact CE3-CB 3.8Å; W18-R604 HydrophobicContact CH2-CB 3.94Å; W18-R604 HydrophobicContact CZ2-CB 4.37Å; W18-R604 HydrophobicContact CZ3-CB 3.62Å; W18-R604 WeakPolarHBondContact CZ3-O 3.36Å; W18-Y605 HydrophobicContact CH2-CD1 4.02Å; W18-Y605 HydrophobicContact CH2-CE1 4.28Å; W18-Y605 HydrophobicContact CH2-CG 4.25Å; W18-Y605 HydrophobicContact CZ2-CE1 4.38Å; W18-H608 HydrophobicContact CE3-CB 4.29Å; W18-H608 HydrophobicContact CH2-CB 4.29Å; W18-H608 HydrophobicContact CZ3-CB 3.52Å; W18-P630 HydrophobicContact CD2-CG 4.28Å; W18-P630 HydrophobicContact CZ2-CG 4.09Å
19	E	41.8	Very low	56.9	Low	199 Å²	199	79.9 Å²	79.9	93%	0.93	42%	0.416	S	S	*	.			trans	-71.3	54.8	168.1	-66.6	-177.3	166.3	0	0	108.1	Q17	Q17-E19 PolarHBondContact O-N 3.47Å; Q17-E19 VanDerWaalsContact O-N 3.1Å
20	D	50.6	Low	60.1	Low	58 Å²	58	72.9 Å²	72.9	31%	0.31	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-86.5	126.2	167.5	-76.4	-31.9	0	0	0	105.8	W18 D22	W18-D20 PolarHBondContact O-N 3.09Å; D20-D22 PolarHBondContact O-N 3.28Å
21	E	54.7	Low	62.9	Low	172 Å²	172	71.6 Å²	71.6	80%	0.804	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-54.1	128.4	167.9	-70.6	-173.3	157.7	0	0	108.5	L23	E21-L23 PolarHBondContact O-N 3.2Å; E21-L23 VanDerWaalsContact O-N 3.16Å
22	D	64.7	Low	65.7	Low	150 Å²	150	70.2 Å²	70.2	80%	0.802	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-56.1	124	178.6	-76	-39.7	0	0	0	109.1	D20	D20-D22 PolarHBondContact O-N 3.28Å
23	L	73.6	Confident	68.3	Low	23 Å²	23	69.1 Å²	69.1	12%	0.12	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-54.2	141.9	175.1	-74.7	173	0	0	0	109.2	E21 V25 L28 W59 R610 H611 L614	E21-L23 PolarHBondContact O-N 3.2Å; E21-L23 VanDerWaalsContact O-N 3.16Å; L23-V25 HydrophobicContact CB-CG2 4.13Å; L23-V25 WeakPolarHBondContact O-CG2 3.09Å; L23-V25 PolarHBondContact O-N 3.06Å; L23-L28 HydrophobicContact CB-CD1 4.33Å; L23-W59 HydrophobicContact CD1-CZ2 4.38Å; L23-R610 HydrophobicContact CD1-CB 4.39Å; L23-H611 HydrophobicContact CD2-CB 4.18Å; L23-H611 VanDerWaalsContact CD2-CD2 3.45Å; L23-H611 WeakPolarHBondContact CD2-CD2 3.48Å; L23-L614 HydrophobicContact CD2-CD1 3.67Å
24	P	80.4	Confident	71.2	Confident	58 Å²	58	62.2 Å²	62.2	38%	0.377	32%	0.322	S	S	.	.			trans	-74.1	68	174.5	32.1	-35.6	0	0	0	109.7	E26 D27 L28 F622	P24-E26 PolarHBondContact O-N 3.06Å; P24-E26 VanDerWaalsContact O-N 3.13Å; P24-D27 PolarHBondContact O-N 2.76Å; P24-L28 HydrophobicContact CG-CD1 4.35Å; P24-L28 WeakPolarHBondContact O-CG 3.48Å; P24-F622 HydrophobicContact CG-CE1 3.78Å; P24-F622 HydrophobicContact CG-CZ 4.25Å
25	V	83	Confident	74.1	Confident	27 Å²	27	61.9 Å²	61.9	16%	0.164	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-56.2	-31.9	-173	168.8	0	0	0	0	112	L23 D27 L28 W59 N62	L23-V25 HydrophobicContact CB-CG2 4.13Å; L23-V25 WeakPolarHBondContact O-CG2 3.09Å; L23-V25 PolarHBondContact O-N 3.06Å; V25-D27 PolarHBondContact O-N 2.72Å; V25-L28 PolarHBondContact O-N 3.36Å; V25-L28 VanDerWaalsContact O-N 3.08Å; V25-W59 HydrophobicContact CG1-CB 4.28Å; V25-W59 HydrophobicContact CG1-CD2 4.03Å; V25-W59 HydrophobicContact CG1-CE3 3.94Å; V25-W59 HydrophobicContact CG1-CG 4.22Å; V25-W59 HydrophobicContact CG2-CD2 4.48Å; V25-N62 PolarHBondContact O-ND2 3.36Å
26	E	82.3	Confident	76.8	Confident	181 Å²	181	61.9 Å²	61.9	85%	0.846	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-59.6	-33	177.4	-62	-173.1	173.3	0	0	112.5	P24 N62	P24-E26 PolarHBondContact O-N 3.06Å; P24-E26 VanDerWaalsContact O-N 3.13Å; E26-N62 PolarHBondContact O-ND2 2.93Å
27	D	85	Confident	79.5	Confident	101 Å²	101	59.2 Å²	59.2	54%	0.54	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-92.6	-0.5	179	-73.8	-38.8	0	0	0	112.7	P24 V25 N175	P24-D27 PolarHBondContact O-N 2.76Å; V25-D27 PolarHBondContact O-N 2.72Å; D27-N175 WeakPolarHBondContact O-CB 3.35Å; D27-N175 PolarHBondContact O-ND2 2.93Å; D27-N175 PolarHBondContact O-OD1 3.42Å
28	L	90.7	Very high	82.1	Confident	1 Å²	1	51 Å²	51	1%	0.005	25%	0.252	C	S	.	.			trans	-118.1	150	-174.4	-63.3	170.9	0	0	0	111.3	L23 P24 V25 W59 N62 N175 L614 F622	L23-L28 HydrophobicContact CB-CD1 4.33Å; P24-L28 HydrophobicContact CG-CD1 4.35Å; P24-L28 WeakPolarHBondContact O-CG 3.48Å; V25-L28 PolarHBondContact O-N 3.36Å; V25-L28 VanDerWaalsContact O-N 3.08Å; L28-W59 HydrophobicContact CB-CH2 3.8Å; L28-W59 HydrophobicContact CB-CZ3 3.52Å; L28-W59 HydrophobicContact CD1-CH2 4.12Å; L28-N62 WeakPolarHBondContact O-CB 3.13Å; L28-N62 VanDerWaalsContact O-CG 3.26Å; L28-N62 PolarHBondContact O-ND2 2.77Å; L28-N62 VanDerWaalsContact O-ND2 3.07Å; L28-N175 CarbonylContact C-O 3.56Å; L28-L614 HydrophobicContact CD1-CD1 3.74Å; L28-L614 HydrophobicContact CD2-CD1 4.39Å; L28-L614 HydrophobicContact CD2-CD2 4.17Å; L28-F622 HydrophobicContact CD2-CZ 4.15Å
29	L	94.1	Very high	84.3	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.037	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.5	172.1	-59.9	177.1	0	0	0	108.7	F31 N62 F64 L166 F170 N175 I176 I177	L29-F31 HydrophobicContact CB-CD2 4.39Å; L29-F31 HydrophobicContact CB-CE2 3.69Å; L29-F31 HydrophobicContact CB-CZ 4.43Å; L29-F31 HydrophobicContact CD1-CE2 4.25Å; L29-F31 HydrophobicContact CD1-CZ 4.49Å; L29-N62 HydrophobicContact CD2-CB 4.11Å; L29-F64 HydrophobicContact CD2-CE2 4.03Å; L29-L166 HydrophobicContact CD1-CD2 4.45Å; L29-F170 HydrophobicContact CD1-CE2 4.21Å; L29-F170 HydrophobicContact CD1-CZ 3.74Å; L29-N175 WeakPolarHBondContact CB-O 3.32Å; L29-N175 PolarHBondContact N-O 2.84Å; L29-I176 WeakPolarHBondContact O-CA 3.27Å; L29-I177 PolarHBondContact O-N 3.49Å
30	L	96.3	Very high	86.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.6	177.2	175.9	63.1	0	0	0	110	T55 W59 N62 Y63 F64 I177	L30-T55 HydrophobicContact CD2-CG2 3.7Å; L30-W59 HydrophobicContact CB-CD2 3.71Å; L30-W59 HydrophobicContact CB-CE3 3.42Å; L30-W59 VanDerWaalsContact CB-CE3 3.42Å; L30-W59 HydrophobicContact CB-CG 4.47Å; L30-W59 HydrophobicContact CB-CH2 3.98Å; L30-W59 HydrophobicContact CB-CZ2 4.24Å; L30-W59 HydrophobicContact CB-CZ3 3.56Å; L30-W59 HydrophobicContact CD2-CD2 3.86Å; L30-W59 HydrophobicContact CD2-CE3 4.45Å; L30-W59 HydrophobicContact CD2-CG 4.07Å; L30-W59 HydrophobicContact CD2-CZ2 4.25Å; L30-W59 HydrophobicContact CG-CD2 4.44Å; L30-N62 PolarHBondContact N-O 3.32Å; L30-Y63 HydrophobicContact CB-CD2 4.39Å; L30-Y63 HydrophobicContact CD2-CD2 3.78Å; L30-Y63 HydrophobicContact CD2-CE2 4.15Å; L30-Y63 HydrophobicContact CG-CD2 3.99Å; L30-Y63 HydrophobicContact CG-CE2 4.46Å; L30-F64 PolarHBondContact O-N 3.47Å; L30-I177 HydrophobicContact CD1-CB 3.97Å; L30-I177 HydrophobicContact CD1-CG2 3.88Å
31	F	97.9	Very high	88.2	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	111.9	171.7	-66.1	-86.2	0	0	0	109.7	L29 F64 I66 V88 F162 L163 L166 I176 I177 A178 H179	L29-F31 HydrophobicContact CB-CD2 4.39Å; L29-F31 HydrophobicContact CB-CE2 3.69Å; L29-F31 HydrophobicContact CB-CZ 4.43Å; L29-F31 HydrophobicContact CD1-CE2 4.25Å; L29-F31 HydrophobicContact CD1-CZ 4.49Å; F31-F64 CarbonylContact C-O 3.53Å; F31-F64 VanDerWaalsContact CA-O 3.31Å; F31-F64 WeakPolarHBondContact CA-O 3.45Å; F31-F64 HydrophobicContact CD1-CB 3.5Å; F31-F64 VanDerWaalsContact CD1-CB 3.5Å; F31-F64 HydrophobicContact CD1-CD2 4.36Å; F31-F64 HydrophobicContact CD1-CG 4.13Å; F31-F64 HydrophobicContact CE1-CB 3.54Å; F31-F64 HydrophobicContact CE1-CD1 4.41Å; F31-F64 AromaticContact CE1-CD2 3.8Å; F31-F64 HydrophobicContact CE1-CD2 3.8Å; F31-F64 AromaticContact CE1-CG 3.66Å; F31-F64 HydrophobicContact CE1-CG 3.66Å; F31-F64 HydrophobicContact CG-CB 4.38Å; F31-F64 HydrophobicContact CZ-CB 4.45Å; F31-F64 AromaticContact CZ-CD2 3.89Å; F31-F64 HydrophobicContact CZ-CD2 3.89Å; F31-F64 HydrophobicContact CZ-CE2 4.46Å; F31-F64 HydrophobicContact CZ-CG 4.21Å; F31-I66 HydrophobicContact CB-CD1 4.14Å; F31-I66 HydrophobicContact CD1-CD1 3.7Å; F31-I66 HydrophobicContact CD1-CG1 4.06Å; F31-I66 HydrophobicContact CG-CD1 4.24Å; F31-V88 HydrophobicContact CZ-CG2 4.27Å; F31-F162 HydrophobicContact CD1-CE1 4.09Å; F31-F162 AromaticContact CE1-CE1 3.64Å; F31-F162 HydrophobicContact CE1-CE1 3.64Å; F31-F162 AromaticContact CE1-CZ 3.98Å; F31-F162 HydrophobicContact CE1-CZ 3.98Å; F31-F162 HydrophobicContact CZ-CE1 4.08Å; F31-F162 HydrophobicContact CZ-CZ 4.3Å; F31-L163 HydrophobicContact CD2-CD2 4.31Å; F31-L163 HydrophobicContact CG-CD2 4.41Å; F31-L166 HydrophobicContact CD2-CD2 4.35Å; F31-L166 HydrophobicContact CE1-CD2 4.34Å; F31-L166 HydrophobicContact CE2-CD2 3.33Å; F31-L166 HydrophobicContact CZ-CD2 3.33Å; F31-I176 HydrophobicContact CD2-CG2 3.83Å; F31-I176 HydrophobicContact CE2-CG2 4.06Å; F31-I177 PolarHBondContact N-O 2.93Å; F31-A178 CarbonylContact O-C 3.55Å; F31-A178 VanDerWaalsContact O-CA 3.32Å; F31-A178 WeakPolarHBondContact O-CA 3.33Å; F31-H179 PolarHBondContact O-N 3.34Å
32	E	98.2	Very high	89.6	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118	173.4	-171.2	170.4	-111.6	0	0	109.6	K51 Y63 F64 L65 I66 H179 H181	E32-K51 WeakPolarHBondContact OE1-CE 3.43Å; E32-K51 IonicContact OE1-NZ 3.26Å; E32-K51 PolarHBondContact OE1-NZ 3.41Å; E32-K51 WeakPolarHBondContact OE2-CE 3.38Å; E32-K51 IonicContact OE2-NZ 3.99Å; E32-K51 PolarHBondContact OE2-NZ 3.45Å; E32-Y63 HydrophobicContact CB-CE2 4.02Å; E32-Y63 PolarHBondContact OE2-OH 3.09Å; E32-F64 PolarHBondContact N-O 2.73Å; E32-L65 HydrophobicContact CB-CD2 3.81Å; E32-L65 HydrophobicContact CG-CD2 4.16Å; E32-L65 CarbonylContact O-C 3.58Å; E32-L65 VanDerWaalsContact O-CA 3.29Å; E32-L65 WeakPolarHBondContact O-CA 3.34Å; E32-I66 PolarHBondContact O-N 3.16Å; E32-H179 CarbonylContact C-O 3.57Å; E32-H179 WeakPolarHBondContact CA-O 3.4Å; E32-H179 HydrophobicContact CG-CB 4.38Å; E32-H181 WeakPolarHBondContact CG-NE2 3.36Å; E32-H181 IonicContact OE1-CE1 3.93Å; E32-H181 IonicContact OE1-NE2 2.94Å; E32-H181 PolarHBondContact OE1-NE2 3.45Å; E32-H181 VanDerWaalsContact OE1-NE2 3.16Å
33	V	98.6	Very high	90.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.8	-167.5	-169.4	0	0	0	0	109.3	I66 F155 T159 H179 F180 H181 A185	V33-I66 WeakPolarHBondContact CA-O 3.3Å; V33-I66 HydrophobicContact CB-CB 4.36Å; V33-I66 HydrophobicContact CG1-CB 4.1Å; V33-I66 HydrophobicContact CG1-CG2 4.14Å; V33-I66 HydrophobicContact CG2-CB 4.07Å; V33-I66 HydrophobicContact CG2-CD1 4.19Å; V33-I66 HydrophobicContact CG2-CG1 4.42Å; V33-F155 HydrophobicContact CG1-CE1 3.87Å; V33-F155 HydrophobicContact CG1-CZ 3.69Å; V33-T159 HydrophobicContact CG1-CG2 4.03Å; V33-T159 HydrophobicContact CG2-CG2 4.17Å; V33-H179 PolarHBondContact N-O 3.14Å; V33-F180 HydrophobicContact CB-CD1 3.71Å; V33-F180 HydrophobicContact CB-CE1 4.02Å; V33-F180 HydrophobicContact CB-CG 4.3Å; V33-F180 HydrophobicContact CG1-CD1 3.93Å; V33-F180 HydrophobicContact CG1-CE1 4.07Å; V33-F180 HydrophobicContact CG2-CD1 3.99Å; V33-F180 HydrophobicContact CG2-CE1 3.86Å; V33-F180 HydrophobicContact CG2-CZ 4.28Å; V33-H181 PolarHBondContact O-N 3.02Å; V33-A185 HydrophobicContact CG1-CB 4.03Å
34	S	98.1	Very high	91.6	Very high	1 Å²	1	36 Å²	36	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	148.6	175.6	178.7	0	0	0	0	112.1	E36 V37 I66	S34-E36 PolarHBondContact O-N 3.14Å; S34-E36 PolarHBondContact OG-N 3.15Å; S34-V37 PolarHBondContact O-N 3.38Å; S34-I66 PolarHBondContact N-O 3.18Å
35	W	97.4	Very high	92.2	Very high	29 Å²	29	34 Å²	34	11%	0.11	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.3	171.4	-169	-95.2	0	0	0	113.1	N39 P68 F70 I120 D151 F155 Q184	W35-N39 PolarHBondContact O-ND2 2.94Å; W35-P68 HydrophobicContact CD2-CG 4.09Å; W35-P68 HydrophobicContact CE3-CG 4.19Å; W35-P68 HydrophobicContact CG-CG 4.5Å; W35-P68 HydrophobicContact CH2-CB 4.46Å; W35-P68 HydrophobicContact CZ3-CB 4.43Å; W35-P68 HydrophobicContact CZ3-CG 4.47Å; W35-P68 WeakPolarHBondContact O-CG 3.45Å; W35-F70 HydrophobicContact CZ2-CZ 4.31Å; W35-I120 HydrophobicContact CH2-CD1 3.46Å; W35-I120 VanDerWaalsContact CH2-CD1 3.46Å; W35-I120 HydrophobicContact CZ3-CD1 3.58Å; W35-D151 HydrophobicContact CH2-CB 3.68Å; W35-D151 HydrophobicContact CZ3-CB 4.32Å; W35-F155 HydrophobicContact CE3-CD1 4.09Å; W35-F155 HydrophobicContact CE3-CG 4.4Å; W35-F155 HydrophobicContact CZ3-CB 4.03Å; W35-F155 HydrophobicContact CZ3-CD1 4.37Å; W35-F155 HydrophobicContact CZ3-CG 4.27Å; W35-Q184 HydrophobicContact CB-CB 3.96Å; W35-Q184 HydrophobicContact CD2-CB 4.44Å; W35-Q184 HydrophobicContact CE3-CB 4.34Å; W35-Q184 HydrophobicContact CG-CB 4.29Å
36	E	96.8	Very high	92.6	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.061	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4	-175.7	-64.4	-164.9	-137.4	0	0	113.9	S34 T38 N39 V41 G42 I44 Y45	S34-E36 PolarHBondContact O-N 3.14Å; S34-E36 PolarHBondContact OG-N 3.15Å; E36-T38 PolarHBondContact O-N 3.31Å; E36-N39 CarbonylContact C-O 3.55Å; E36-N39 WeakPolarHBondContact CA-O 3.5Å; E36-N39 WeakPolarHBondContact CB-O 3.42Å; E36-N39 PolarHBondContact O-N 3.15Å; E36-N39 VanDerWaalsContact O-N 3.09Å; E36-V41 HydrophobicContact CG-CB 4.11Å; E36-V41 HydrophobicContact CG-CG2 4.44Å; E36-G42 WeakPolarHBondContact OE2-CA 3.42Å; E36-G42 PolarHBondContact OE2-N 3.04Å; E36-I44 HydrophobicContact CB-CB 4.26Å; E36-I44 HydrophobicContact CB-CG2 4.46Å; E36-I44 HydrophobicContact CG-CB 4.2Å; E36-I44 WeakPolarHBondContact OE1-CB 3.3Å; E36-Y45 WeakPolarHBondContact O-CD2 3.49Å; E36-Y45 VanDerWaalsContact OE2-CB 3.31Å; E36-Y45 WeakPolarHBondContact OE2-CB 3.48Å; E36-Y45 PolarHBondContact OE2-N 3.1Å
37	V	96.9	Very high	93.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	119.8	171.7	172.1	0	0	0	0	109.1	S34 N39 I48 L65 I66 V115 L117	S34-V37 PolarHBondContact O-N 3.38Å; V37-N39 PolarHBondContact O-N 2.96Å; V37-N39 VanDerWaalsContact O-N 3.09Å; V37-I48 HydrophobicContact CG2-CD1 4.25Å; V37-L65 HydrophobicContact CG1-CB 3.88Å; V37-L65 HydrophobicContact CG2-CB 4.21Å; V37-L65 HydrophobicContact CG2-CD2 4.01Å; V37-I66 WeakPolarHBondContact CG2-O 3.23Å; V37-V115 HydrophobicContact CG1-CG1 3.92Å; V37-L117 HydrophobicContact CG1-CD2 4.14Å
38	T	94.9	Very high	93.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	12.9	-173.5	72	0	0	0	0	115	E36 N73 V78 W107 V115 L117	E36-T38 PolarHBondContact O-N 3.31Å; T38-N73 VanDerWaalsContact O-CB 3.25Å; T38-N73 WeakPolarHBondContact O-CB 3.49Å; T38-N73 PolarHBondContact O-ND2 3.16Å; T38-V78 HydrophobicContact CG2-CG2 3.7Å; T38-W107 HydrophobicContact CG2-CD2 4.05Å; T38-W107 HydrophobicContact CG2-CG 4.02Å; T38-V115 HydrophobicContact CG2-CG1 4.13Å; T38-L117 HydrophobicContact CG2-CD1 4.33Å; T38-L117 HydrophobicContact CG2-CD2 4.3Å
39	N	94.1	Very high	93.8	Very high	21 Å²	21	23.9 Å²	23.9	11%	0.112	13%	0.133	C	C	.	.			trans	-136.9	99	-175.5	-178.6	34.6	0	0	0	111.3	W35 E36 V37 V41 F70 N73	W35-N39 PolarHBondContact O-ND2 2.94Å; E36-N39 CarbonylContact C-O 3.55Å; E36-N39 WeakPolarHBondContact CA-O 3.5Å; E36-N39 WeakPolarHBondContact CB-O 3.42Å; E36-N39 PolarHBondContact O-N 3.15Å; E36-N39 VanDerWaalsContact O-N 3.09Å; V37-N39 PolarHBondContact O-N 2.96Å; V37-N39 VanDerWaalsContact O-N 3.09Å; N39-V41 VanDerWaalsContact ND2-CG2 3.28Å; N39-V41 WeakPolarHBondContact ND2-CG2 3.42Å; N39-V41 PolarHBondContact O-N 2.78Å; N39-F70 HydrophobicContact CB-CD2 3.86Å; N39-F70 HydrophobicContact CB-CE2 3.82Å; N39-F70 VanDerWaalsContact CG-CE2 3.4Å; N39-F70 WeakPolarHBondContact ND2-CE2 3.48Å; N39-N73 PolarHBondContact OD1-ND2 2.84Å
40	K	89.7	Confident	93.6	Very high	148 Å²	148	24.6 Å²	24.6	64%	0.643	14%	0.138	S	C	*	.			trans	-77.8	93.6	-176.6	-171.4	176.1	-177.9	177.3	0	111.3	Y45	K40-Y45 VanDerWaalsContact CA-CD2 3.5Å; K40-Y45 HydrophobicContact CB-CD1 4.06Å; K40-Y45 HydrophobicContact CB-CD2 3.69Å; K40-Y45 HydrophobicContact CB-CE1 4.25Å; K40-Y45 HydrophobicContact CB-CE2 3.87Å; K40-Y45 HydrophobicContact CB-CG 3.77Å; K40-Y45 HydrophobicContact CD-CD1 4.03Å; K40-Y45 HydrophobicContact CD-CE1 4.08Å; K40-Y45 HydrophobicContact CG-CD1 3.8Å; K40-Y45 HydrophobicContact CG-CD2 4.29Å; K40-Y45 HydrophobicContact CG-CE1 4.23Å; K40-Y45 HydrophobicContact CG-CG 3.84Å
41	V	85.7	Confident	93.6	Very high	97 Å²	97	24.6 Å²	24.6	59%	0.588	14%	0.138	S	C	*	.	S	Bend	trans	-103.2	-39.3	175	-176.7	0	0	0	0	111.2	E36 N39	E36-V41 HydrophobicContact CG-CB 4.11Å; E36-V41 HydrophobicContact CG-CG2 4.44Å; N39-V41 VanDerWaalsContact ND2-CG2 3.28Å; N39-V41 WeakPolarHBondContact ND2-CG2 3.42Å; N39-V41 PolarHBondContact O-N 2.78Å
42	G	84.1	Confident	93.4	Very high	26 Å²	26	24.6 Å²	24.6	27%	0.268	14%	0.138	S	C	.	.	S	Bend	trans	-151.9	-151.3	-172	0	0	0	0	0	113	E36	E36-G42 WeakPolarHBondContact OE2-CA 3.42Å; E36-G42 PolarHBondContact OE2-N 3.04Å
43	G	86.1	Confident	93.2	Very high	32 Å²	32	28 Å²	28	33%	0.33	15%	0.153	S	C	.	.	H	α-helix	trans	-78.7	-19.7	-178	0	0	0	0	0	113.6	Y45 T46 V47	G43-Y45 VanDerWaalsContact C-N 3.3Å; G43-Y45 PolarHBondContact O-N 3.03Å; G43-T46 WeakPolarHBondContact O-CB 3.46Å; G43-T46 PolarHBondContact O-N 3.16Å; G43-V47 PolarHBondContact O-N 2.72Å
44	I	93.1	Very high	92.9	Very high	14 Å²	14	30 Å²	30	7%	0.072	16%	0.163	C	C	.	.	H	α-helix	trans	-68.4	-35.6	-177.6	-54.1	171.2	0	0	0	110	E36 T46 V47 I48 H181 E182 H206	E36-I44 HydrophobicContact CB-CB 4.26Å; E36-I44 HydrophobicContact CB-CG2 4.46Å; E36-I44 HydrophobicContact CG-CB 4.2Å; E36-I44 WeakPolarHBondContact OE1-CB 3.3Å; I44-T46 VanDerWaalsContact C-N 3.26Å; I44-T46 PolarHBondContact O-N 3.28Å; I44-V47 WeakPolarHBondContact O-CB 3.48Å; I44-V47 PolarHBondContact O-N 2.97Å; I44-V47 VanDerWaalsContact O-N 3.15Å; I44-I48 HydrophobicContact CG2-CD1 3.81Å; I44-I48 HydrophobicContact CG2-CG1 4.2Å; I44-I48 WeakPolarHBondContact O-CG1 3.38Å; I44-I48 PolarHBondContact O-N 3.25Å; I44-H181 HydrophobicContact CG2-CB 4.24Å; I44-E182 HydrophobicContact CD1-CB 4.17Å; I44-E182 HydrophobicContact CD1-CG 3.37Å; I44-H206 HydrophobicContact CD1-CB 4.39Å; I44-H206 HydrophobicContact CG1-CB 4.31Å
45	Y	93.6	Very high	92.7	Very high	17 Å²	17	30.1 Å²	30.1	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-49.9	-49	168.3	179.4	-87	0	0	0	111.2	E36 K40 G43 I48 Q49 Q77 W107	E36-Y45 WeakPolarHBondContact O-CD2 3.49Å; E36-Y45 VanDerWaalsContact OE2-CB 3.31Å; E36-Y45 WeakPolarHBondContact OE2-CB 3.48Å; E36-Y45 PolarHBondContact OE2-N 3.1Å; K40-Y45 VanDerWaalsContact CA-CD2 3.5Å; K40-Y45 HydrophobicContact CB-CD1 4.06Å; K40-Y45 HydrophobicContact CB-CD2 3.69Å; K40-Y45 HydrophobicContact CB-CE1 4.25Å; K40-Y45 HydrophobicContact CB-CE2 3.87Å; K40-Y45 HydrophobicContact CB-CG 3.77Å; K40-Y45 HydrophobicContact CD-CD1 4.03Å; K40-Y45 HydrophobicContact CD-CE1 4.08Å; K40-Y45 HydrophobicContact CG-CD1 3.8Å; K40-Y45 HydrophobicContact CG-CD2 4.29Å; K40-Y45 HydrophobicContact CG-CE1 4.23Å; K40-Y45 HydrophobicContact CG-CG 3.84Å; G43-Y45 VanDerWaalsContact C-N 3.3Å; G43-Y45 PolarHBondContact O-N 3.03Å; Y45-I48 PolarHBondContact O-N 3.37Å; Y45-Q49 HydrophobicContact CD1-CB 4.5Å; Y45-Q49 HydrophobicContact CE1-CB 4.37Å; Y45-Q49 HydrophobicContact CE1-CG 4.49Å; Y45-Q49 VanDerWaalsContact CE1-OE1 3.27Å; Y45-Q49 WeakPolarHBondContact O-CB 3.15Å; Y45-Q49 PolarHBondContact O-N 2.92Å; Y45-Q77 PolarHBondContact OH-OE1 2.84Å; Y45-W107 HydrophobicContact CD2-CH2 4.28Å; Y45-W107 HydrophobicContact CD2-CZ2 4.14Å; Y45-W107 HydrophobicContact CE2-CH2 4.03Å; Y45-W107 AromaticContact CE2-CZ2 3.44Å; Y45-W107 HydrophobicContact CE2-CZ2 3.44Å; Y45-W107 VanDerWaalsContact CE2-CZ2 3.44Å; Y45-W107 AromaticContact CZ-CZ2 3.67Å
46	T	90.9	Very high	92.5	Very high	34 Å²	34	29.4 Å²	29.4	21%	0.209	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-38.9	180	-59.4	0	0	0	0	112	G43 I44 T50	G43-T46 WeakPolarHBondContact O-CB 3.46Å; G43-T46 PolarHBondContact O-N 3.16Å; I44-T46 VanDerWaalsContact C-N 3.26Å; I44-T46 PolarHBondContact O-N 3.28Å; T46-T50 HydrophobicContact CG2-CG2 4.2Å; T46-T50 WeakPolarHBondContact O-CB 3.45Å; T46-T50 WeakPolarHBondContact O-CG2 3.36Å; T46-T50 PolarHBondContact O-N 2.95Å; T46-T50 PolarHBondContact O-OG1 3.06Å
47	V	93.5	Very high	92.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54.8	-59.2	173.4	-177.5	0	0	0	0	109.6	G43 I44 Q49 T50 K51 Y515 W599	G43-V47 PolarHBondContact O-N 2.72Å; I44-V47 WeakPolarHBondContact O-CB 3.48Å; I44-V47 PolarHBondContact O-N 2.97Å; I44-V47 VanDerWaalsContact O-N 3.15Å; V47-Q49 PolarHBondContact O-N 3.13Å; V47-T50 PolarHBondContact O-N 3.34Å; V47-T50 PolarHBondContact O-OG1 2.82Å; V47-K51 WeakPolarHBondContact O-CB 3.48Å; V47-K51 PolarHBondContact O-N 2.77Å; V47-Y515 WeakPolarHBondContact CG2-OH 3.22Å; V47-W599 HydrophobicContact CG1-CH2 4.04Å; V47-W599 HydrophobicContact CG1-CZ2 4.07Å
48	I	94.7	Very high	92	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.8	-44.3	-171.1	-63	175.9	0	0	0	109.3	V37 I44 Y45 T50 K51 A52 L65 W107	V37-I48 HydrophobicContact CG2-CD1 4.25Å; I44-I48 HydrophobicContact CG2-CD1 3.81Å; I44-I48 HydrophobicContact CG2-CG1 4.2Å; I44-I48 WeakPolarHBondContact O-CG1 3.38Å; I44-I48 PolarHBondContact O-N 3.25Å; Y45-I48 PolarHBondContact O-N 3.37Å; I48-T50 PolarHBondContact O-N 2.93Å; I48-K51 PolarHBondContact O-N 2.81Å; I48-A52 VanDerWaalsContact O-CB 3.31Å; I48-A52 WeakPolarHBondContact O-CB 3.41Å; I48-A52 PolarHBondContact O-N 3.36Å; I48-L65 HydrophobicContact CG2-CD1 4.1Å; I48-L65 HydrophobicContact CG2-CD2 3.46Å; I48-L65 VanDerWaalsContact CG2-CD2 3.46Å; I48-L65 HydrophobicContact CG2-CG 4.46Å; I48-W107 HydrophobicContact CG2-CZ3 3.94Å
49	Q	94.3	Very high	91.8	Very high	62 Å²	62	36.3 Å²	36.3	29%	0.29	20%	0.199	S	C	.	.	H	α-helix	trans	-58.5	-47.4	178.9	-177	-172.2	29.2	0	0	112.1	Y45 V47 W107 I109	Y45-Q49 HydrophobicContact CD1-CB 4.5Å; Y45-Q49 HydrophobicContact CE1-CB 4.37Å; Y45-Q49 HydrophobicContact CE1-CG 4.49Å; Y45-Q49 VanDerWaalsContact CE1-OE1 3.27Å; Y45-Q49 WeakPolarHBondContact O-CB 3.15Å; Y45-Q49 PolarHBondContact O-N 2.92Å; V47-Q49 PolarHBondContact O-N 3.13Å; Q49-W107 HydrophobicContact CB-CH2 3.93Å; Q49-W107 HydrophobicContact CB-CZ2 4.38Å; Q49-W107 HydrophobicContact CG-CH2 4.48Å; Q49-I109 HydrophobicContact CB-CD1 4.41Å; Q49-I109 HydrophobicContact CG-CB 4.31Å; Q49-I109 HydrophobicContact CG-CD1 4.02Å; Q49-I109 HydrophobicContact CG-CG2 4.01Å
50	T	91.9	Very high	91.7	Very high	22 Å²	22	37.5 Å²	37.5	14%	0.135	22%	0.216	C	C	.	.	H	α-helix	trans	-76.3	-38.3	-176.8	56.7	0	0	0	0	111.5	T46 V47 I48 A52 N284 W599	T46-T50 HydrophobicContact CG2-CG2 4.2Å; T46-T50 WeakPolarHBondContact O-CB 3.45Å; T46-T50 WeakPolarHBondContact O-CG2 3.36Å; T46-T50 PolarHBondContact O-N 2.95Å; T46-T50 PolarHBondContact O-OG1 3.06Å; V47-T50 PolarHBondContact O-N 3.34Å; V47-T50 PolarHBondContact O-OG1 2.82Å; I48-T50 PolarHBondContact O-N 2.93Å; T50-A52 VanDerWaalsContact C-N 3.29Å; T50-A52 PolarHBondContact O-N 2.76Å; T50-N284 VanDerWaalsContact O-CG 3.29Å; T50-N284 PolarHBondContact O-ND2 3.39Å; T50-N284 PolarHBondContact O-OD1 3.25Å; T50-W599 PolarHBondContact OG1-NE1 2.98Å
51	K	95.1	Very high	91.8	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.7	-23.1	176.8	-168.8	-176.8	59.6	69.1	0	113.5	E32 V47 I48 K53 I54 T55 W599 Y606	E32-K51 WeakPolarHBondContact OE1-CE 3.43Å; E32-K51 IonicContact OE1-NZ 3.26Å; E32-K51 PolarHBondContact OE1-NZ 3.41Å; E32-K51 WeakPolarHBondContact OE2-CE 3.38Å; E32-K51 IonicContact OE2-NZ 3.99Å; E32-K51 PolarHBondContact OE2-NZ 3.45Å; V47-K51 WeakPolarHBondContact O-CB 3.48Å; V47-K51 PolarHBondContact O-N 2.77Å; I48-K51 PolarHBondContact O-N 2.81Å; K51-K53 PolarHBondContact O-N 2.8Å; K51-I54 HydrophobicContact CG-CG2 4.09Å; K51-I54 VanDerWaalsContact O-CG2 3.24Å; K51-I54 WeakPolarHBondContact O-CG2 3.32Å; K51-I54 PolarHBondContact O-N 3.1Å; K51-T55 PolarHBondContact NZ-OG1 3.47Å; K51-T55 PolarHBondContact O-N 3.42Å; K51-T55 VanDerWaalsContact O-N 3.08Å; K51-T55 PolarHBondContact O-OG1 3.32Å; K51-T55 VanDerWaalsContact O-OG1 3.1Å; K51-W599 HydrophobicContact CB-CD2 4Å; K51-W599 HydrophobicContact CB-CE3 4.31Å; K51-W599 HydrophobicContact CB-CH2 4.08Å; K51-W599 HydrophobicContact CB-CZ2 3.73Å; K51-W599 HydrophobicContact CB-CZ3 4.36Å; K51-W599 HydrophobicContact CD-CE3 4.35Å; K51-W599 HydrophobicContact CD-CH2 3.96Å; K51-W599 HydrophobicContact CD-CZ2 4.48Å; K51-W599 HydrophobicContact CD-CZ3 3.89Å; K51-W599 HydrophobicContact CG-CD2 4.07Å; K51-W599 HydrophobicContact CG-CE3 3.93Å; K51-W599 HydrophobicContact CG-CH2 4.12Å; K51-W599 HydrophobicContact CG-CZ2 4.25Å; K51-W599 HydrophobicContact CG-CZ3 3.96Å; K51-Y606 HydrophobicContact CD-CD1 3.99Å; K51-Y606 HydrophobicContact CD-CD2 4.1Å; K51-Y606 HydrophobicContact CD-CE1 3.81Å; K51-Y606 HydrophobicContact CD-CE2 3.94Å; K51-Y606 HydrophobicContact CD-CG 4.13Å
52	A	94.8	Very high	92.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-52.7	-41	-176.2	0	0	0	0	0	112.6	I48 T50 T55 A56 I109 P113	I48-A52 VanDerWaalsContact O-CB 3.31Å; I48-A52 WeakPolarHBondContact O-CB 3.41Å; I48-A52 PolarHBondContact O-N 3.36Å; T50-A52 VanDerWaalsContact C-N 3.29Å; T50-A52 PolarHBondContact O-N 2.76Å; A52-T55 PolarHBondContact O-N 2.85Å; A52-A56 WeakPolarHBondContact O-CB 3.48Å; A52-A56 PolarHBondContact O-N 3.11Å; A52-I109 HydrophobicContact CB-CD1 3.61Å; A52-P113 HydrophobicContact CB-CG 4.04Å
53	K	93.1	Very high	92.7	Very high	73 Å²	73	31.7 Å²	31.7	32%	0.317	18%	0.179	S	C	.	.	H	α-helix	trans	-60.1	-54.1	179.1	176.9	165.8	173.6	40.3	0	112.5	K51 T55 A56 D57 E110	K51-K53 PolarHBondContact O-N 2.8Å; K53-T55 VanDerWaalsContact C-N 3.26Å; K53-T55 PolarHBondContact O-N 3.11Å; K53-A56 PolarHBondContact O-N 3.07Å; K53-D57 IonicContact NZ-OD1 2.7Å; K53-D57 PolarHBondContact NZ-OD1 3.08Å; K53-D57 VanDerWaalsContact NZ-OD1 3.11Å; K53-D57 IonicContact NZ-OD2 3.74Å; K53-D57 PolarHBondContact NZ-OD2 3.34Å; K53-D57 WeakPolarHBondContact O-CB 3.24Å; K53-D57 PolarHBondContact O-N 3.27Å; K53-E110 HydrophobicContact CB-CB 4.25Å; K53-E110 HydrophobicContact CD-CB 4.3Å
54	I	92.4	Very high	93.3	Very high	42 Å²	42	30.2 Å²	30.2	22%	0.215	16%	0.163	C	C	.	.	H	α-helix	trans	-65.1	-35.7	-177.3	-166.7	63.2	0	0	0	111.1	K51 D57 E58 W599 R600	K51-I54 HydrophobicContact CG-CG2 4.09Å; K51-I54 VanDerWaalsContact O-CG2 3.24Å; K51-I54 WeakPolarHBondContact O-CG2 3.32Å; K51-I54 PolarHBondContact O-N 3.1Å; I54-D57 PolarHBondContact O-N 2.97Å; I54-E58 WeakPolarHBondContact O-CB 3.46Å; I54-E58 PolarHBondContact O-N 3.36Å; I54-E58 VanDerWaalsContact O-N 3.13Å; I54-W599 HydrophobicContact CB-CB 4.25Å; I54-W599 HydrophobicContact CG2-CB 3.83Å; I54-W599 HydrophobicContact CG2-CG 4.36Å; I54-R600 HydrophobicContact CD1-CG 4.17Å
55	T	94	Very high	93.5	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-70.4	-38.8	178.6	-51.5	0	0	0	0	110.8	L30 K51 A52 K53 E58 W59 Y63	L30-T55 HydrophobicContact CD2-CG2 3.7Å; K51-T55 PolarHBondContact NZ-OG1 3.47Å; K51-T55 PolarHBondContact O-N 3.42Å; K51-T55 VanDerWaalsContact O-N 3.08Å; K51-T55 PolarHBondContact O-OG1 3.32Å; K51-T55 VanDerWaalsContact O-OG1 3.1Å; A52-T55 PolarHBondContact O-N 2.85Å; K53-T55 VanDerWaalsContact C-N 3.26Å; K53-T55 PolarHBondContact O-N 3.11Å; T55-E58 PolarHBondContact O-N 3.46Å; T55-W59 HydrophobicContact CG2-CG 4.46Å; T55-W59 VanDerWaalsContact O-CB 3.32Å; T55-W59 WeakPolarHBondContact O-CB 3.44Å; T55-W59 PolarHBondContact O-N 2.93Å; T55-Y63 HydrophobicContact CG2-CD1 4Å; T55-Y63 HydrophobicContact CG2-CD2 3.69Å; T55-Y63 HydrophobicContact CG2-CE1 3.92Å; T55-Y63 HydrophobicContact CG2-CE2 3.6Å; T55-Y63 HydrophobicContact CG2-CG 3.89Å
56	A	93.4	Very high	93.8	Very high	14 Å²	14	28.7 Å²	28.7	12%	0.116	16%	0.157	C	C	.	.	H	α-helix	trans	-70.6	-35.1	175.5	0	0	0	0	0	112.5	A52 K53 E58 G60 Y63	A52-A56 WeakPolarHBondContact O-CB 3.48Å; A52-A56 PolarHBondContact O-N 3.11Å; K53-A56 PolarHBondContact O-N 3.07Å; A56-E58 PolarHBondContact O-N 3.44Å; A56-G60 VanDerWaalsContact O-CA 3.29Å; A56-G60 WeakPolarHBondContact O-CA 3.4Å; A56-G60 PolarHBondContact O-N 3.29Å; A56-Y63 HydrophobicContact CB-CD1 4.24Å
57	D	91.4	Very high	94.1	Very high	102 Å²	102	27.1 Å²	27.1	55%	0.545	15%	0.147	S	C	.	.	H	α-helix	trans	-63.8	-31.6	173.4	-67.9	-19.5	0	0	0	110.9	K53 I54	K53-D57 IonicContact NZ-OD1 2.7Å; K53-D57 PolarHBondContact NZ-OD1 3.08Å; K53-D57 VanDerWaalsContact NZ-OD1 3.11Å; K53-D57 IonicContact NZ-OD2 3.74Å; K53-D57 PolarHBondContact NZ-OD2 3.34Å; K53-D57 WeakPolarHBondContact O-CB 3.24Å; K53-D57 PolarHBondContact O-N 3.27Å; I54-D57 PolarHBondContact O-N 2.97Å
58	E	90.4	Very high	94.3	Very high	52 Å²	52	27.1 Å²	27.1	24%	0.243	15%	0.147	C	C	.	.	H	α-helix	trans	-82.1	-46.6	176.5	-179	-163.3	158.8	0	0	112.7	I54 T55 A56 R610	I54-E58 WeakPolarHBondContact O-CB 3.46Å; I54-E58 PolarHBondContact O-N 3.36Å; I54-E58 VanDerWaalsContact O-N 3.13Å; T55-E58 PolarHBondContact O-N 3.46Å; A56-E58 PolarHBondContact O-N 3.44Å; E58-R610 IonicContact OE1-NH1 2.78Å; E58-R610 PolarHBondContact OE1-NH1 2.92Å; E58-R610 IonicContact OE2-NH1 3.67Å; E58-R610 PolarHBondContact OE2-NH1 3.41Å
59	W	92.6	Very high	94.4	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.019	16%	0.156	C	C	.	.	H	α-helix	trans	-100.4	-13.7	-169.4	-74.2	74.2	0	0	0	115.3	L23 V25 L28 L30 T55 E61 N62 I177 R610	L23-W59 HydrophobicContact CD1-CZ2 4.38Å; V25-W59 HydrophobicContact CG1-CB 4.28Å; V25-W59 HydrophobicContact CG1-CD2 4.03Å; V25-W59 HydrophobicContact CG1-CE3 3.94Å; V25-W59 HydrophobicContact CG1-CG 4.22Å; V25-W59 HydrophobicContact CG2-CD2 4.48Å; L28-W59 HydrophobicContact CB-CH2 3.8Å; L28-W59 HydrophobicContact CB-CZ3 3.52Å; L28-W59 HydrophobicContact CD1-CH2 4.12Å; L30-W59 HydrophobicContact CB-CD2 3.71Å; L30-W59 HydrophobicContact CB-CE3 3.42Å; L30-W59 VanDerWaalsContact CB-CE3 3.42Å; L30-W59 HydrophobicContact CB-CG 4.47Å; L30-W59 HydrophobicContact CB-CH2 3.98Å; L30-W59 HydrophobicContact CB-CZ2 4.24Å; L30-W59 HydrophobicContact CB-CZ3 3.56Å; L30-W59 HydrophobicContact CD2-CD2 3.86Å; L30-W59 HydrophobicContact CD2-CE3 4.45Å; L30-W59 HydrophobicContact CD2-CG 4.07Å; L30-W59 HydrophobicContact CD2-CZ2 4.25Å; L30-W59 HydrophobicContact CG-CD2 4.44Å; T55-W59 HydrophobicContact CG2-CG 4.46Å; T55-W59 VanDerWaalsContact O-CB 3.32Å; T55-W59 WeakPolarHBondContact O-CB 3.44Å; T55-W59 PolarHBondContact O-N 2.93Å; W59-E61 PolarHBondContact O-N 3.08Å; W59-N62 HydrophobicContact CE3-CB 4.3Å; W59-N62 WeakPolarHBondContact O-CB 3.29Å; W59-N62 PolarHBondContact O-N 3.47Å; W59-N62 VanDerWaalsContact O-N 3.08Å; W59-I177 HydrophobicContact CH2-CD1 3.66Å; W59-I177 HydrophobicContact CZ2-CD1 4.18Å; W59-R610 VanDerWaalsContact NE1-NH1 3.17Å
60	G	91.4	Very high	94.4	Very high	46 Å²	46	30 Å²	30	47%	0.474	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	53.8	-128.1	-177.6	0	0	0	0	0	112.9	A56 N62	A56-G60 VanDerWaalsContact O-CA 3.29Å; A56-G60 WeakPolarHBondContact O-CA 3.4Å; A56-G60 PolarHBondContact O-N 3.29Å; G60-N62 PolarHBondContact O-N 2.9Å
61	E	91.1	Very high	94.5	Very high	115 Å²	115	34.2 Å²	34.2	54%	0.537	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-77.4	-6.6	-178.4	-61.2	-165.3	159.1	0	0	114.1	W59 Y63 F64 Y114	W59-E61 PolarHBondContact O-N 3.08Å; E61-Y63 VanDerWaalsContact C-N 3.29Å; E61-F64 WeakPolarHBondContact O-CE2 3.19Å; E61-F64 VanDerWaalsContact O-CZ 3.27Å; E61-F64 WeakPolarHBondContact O-CZ 3.41Å; E61-Y114 HydrophobicContact CB-CE2 4.02Å; E61-Y114 HydrophobicContact CG-CE2 4.18Å
62	N	93.7	Very high	94.4	Very high	32 Å²	32	40.7 Å²	40.7	17%	0.171	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-86.4	1.5	178.9	-73.4	-13.1	0	0	0	113.4	V25 E26 L28 L29 L30 W59 G60 F64	V25-N62 PolarHBondContact O-ND2 3.36Å; E26-N62 PolarHBondContact O-ND2 2.93Å; L28-N62 WeakPolarHBondContact O-CB 3.13Å; L28-N62 VanDerWaalsContact O-CG 3.26Å; L28-N62 PolarHBondContact O-ND2 2.77Å; L28-N62 VanDerWaalsContact O-ND2 3.07Å; L29-N62 HydrophobicContact CD2-CB 4.11Å; L30-N62 PolarHBondContact N-O 3.32Å; W59-N62 HydrophobicContact CE3-CB 4.3Å; W59-N62 WeakPolarHBondContact O-CB 3.29Å; W59-N62 PolarHBondContact O-N 3.47Å; W59-N62 VanDerWaalsContact O-N 3.08Å; G60-N62 PolarHBondContact O-N 2.9Å; N62-F64 WeakPolarHBondContact O-CD2 3.42Å
63	Y	96.1	Very high	94.2	Very high	1 Å²	1	42 Å²	42	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.9	177.8	174.8	-132	0	0	0	112.6	L30 E32 T55 A56 E61 L65 P113	L30-Y63 HydrophobicContact CB-CD2 4.39Å; L30-Y63 HydrophobicContact CD2-CD2 3.78Å; L30-Y63 HydrophobicContact CD2-CE2 4.15Å; L30-Y63 HydrophobicContact CG-CD2 3.99Å; L30-Y63 HydrophobicContact CG-CE2 4.46Å; E32-Y63 HydrophobicContact CB-CE2 4.02Å; E32-Y63 PolarHBondContact OE2-OH 3.09Å; T55-Y63 HydrophobicContact CG2-CD1 4Å; T55-Y63 HydrophobicContact CG2-CD2 3.69Å; T55-Y63 HydrophobicContact CG2-CE1 3.92Å; T55-Y63 HydrophobicContact CG2-CE2 3.6Å; T55-Y63 HydrophobicContact CG2-CG 3.89Å; A56-Y63 HydrophobicContact CB-CD1 4.24Å; E61-Y63 VanDerWaalsContact C-N 3.29Å; Y63-L65 HydrophobicContact CE1-CD1 4.41Å; Y63-L65 HydrophobicContact CE1-CG 4.47Å; Y63-L65 HydrophobicContact CE2-CD2 4.38Å; Y63-L65 HydrophobicContact CE2-CG 4.28Å; Y63-L65 WeakPolarHBondContact OH-CD2 3.46Å; Y63-P113 HydrophobicContact CD1-CB 3.74Å; Y63-P113 HydrophobicContact CE1-CB 3.62Å; Y63-P113 HydrophobicContact CE1-CG 4.42Å
64	F	97.6	Very high	94.2	Very high	1 Å²	1	39 Å²	39	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.1	-178.6	-58	-90.4	0	0	0	110.5	L29 L30 F31 E32 E61 N62 V88 F104 Y114	L29-F64 HydrophobicContact CD2-CE2 4.03Å; L30-F64 PolarHBondContact O-N 3.47Å; F31-F64 CarbonylContact C-O 3.53Å; F31-F64 VanDerWaalsContact CA-O 3.31Å; F31-F64 WeakPolarHBondContact CA-O 3.45Å; F31-F64 HydrophobicContact CD1-CB 3.5Å; F31-F64 VanDerWaalsContact CD1-CB 3.5Å; F31-F64 HydrophobicContact CD1-CD2 4.36Å; F31-F64 HydrophobicContact CD1-CG 4.13Å; F31-F64 HydrophobicContact CE1-CB 3.54Å; F31-F64 HydrophobicContact CE1-CD1 4.41Å; F31-F64 AromaticContact CE1-CD2 3.8Å; F31-F64 HydrophobicContact CE1-CD2 3.8Å; F31-F64 AromaticContact CE1-CG 3.66Å; F31-F64 HydrophobicContact CE1-CG 3.66Å; F31-F64 HydrophobicContact CG-CB 4.38Å; F31-F64 HydrophobicContact CZ-CB 4.45Å; F31-F64 AromaticContact CZ-CD2 3.89Å; F31-F64 HydrophobicContact CZ-CD2 3.89Å; F31-F64 HydrophobicContact CZ-CE2 4.46Å; F31-F64 HydrophobicContact CZ-CG 4.21Å; E32-F64 PolarHBondContact N-O 2.73Å; E61-F64 WeakPolarHBondContact O-CE2 3.19Å; E61-F64 VanDerWaalsContact O-CZ 3.27Å; E61-F64 WeakPolarHBondContact O-CZ 3.41Å; N62-F64 WeakPolarHBondContact O-CD2 3.42Å; F64-V88 HydrophobicContact CE1-CG2 4.41Å; F64-V88 HydrophobicContact CZ-CG2 4.25Å; F64-F104 AromaticContact CD1-CE2 3.91Å; F64-F104 HydrophobicContact CD1-CE2 3.91Å; F64-F104 HydrophobicContact CD1-CZ 4.32Å; F64-F104 AromaticContact CE1-CE2 3.91Å; F64-F104 HydrophobicContact CE1-CE2 3.91Å; F64-F104 HydrophobicContact CE1-CZ 4Å; F64-Y114 HydrophobicContact CD1-CD2 4.42Å; F64-Y114 HydrophobicContact CD1-CG 4.3Å; F64-Y114 AromaticContact CE1-CD2 3.97Å; F64-Y114 HydrophobicContact CE1-CD2 3.97Å; F64-Y114 HydrophobicContact CE1-CG 4.13Å; F64-Y114 HydrophobicContact CZ-CD2 4.45Å
65	L	98.4	Very high	94.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.9	172	-76.1	162.7	0	0	0	109.7	E32 V37 I48 Y63 W107 P113 Y114 V115 L116	E32-L65 HydrophobicContact CB-CD2 3.81Å; E32-L65 HydrophobicContact CG-CD2 4.16Å; E32-L65 CarbonylContact O-C 3.58Å; E32-L65 VanDerWaalsContact O-CA 3.29Å; E32-L65 WeakPolarHBondContact O-CA 3.34Å; V37-L65 HydrophobicContact CG1-CB 3.88Å; V37-L65 HydrophobicContact CG2-CB 4.21Å; V37-L65 HydrophobicContact CG2-CD2 4.01Å; I48-L65 HydrophobicContact CG2-CD1 4.1Å; I48-L65 HydrophobicContact CG2-CD2 3.46Å; I48-L65 VanDerWaalsContact CG2-CD2 3.46Å; I48-L65 HydrophobicContact CG2-CG 4.46Å; Y63-L65 HydrophobicContact CE1-CD1 4.41Å; Y63-L65 HydrophobicContact CE1-CG 4.47Å; Y63-L65 HydrophobicContact CE2-CD2 4.38Å; Y63-L65 HydrophobicContact CE2-CG 4.28Å; Y63-L65 WeakPolarHBondContact OH-CD2 3.46Å; L65-W107 HydrophobicContact CD1-CE3 3.78Å; L65-W107 HydrophobicContact CD1-CZ3 4.08Å; L65-P113 HydrophobicContact CD1-CB 4Å; L65-P113 HydrophobicContact CD1-CG 3.63Å; L65-Y114 PolarHBondContact N-O 2.82Å; L65-V115 HydrophobicContact CB-CG1 3.86Å; L65-V115 HydrophobicContact CD1-CG1 4.39Å; L65-V115 CarbonylContact O-C 3.59Å; L65-V115 VanDerWaalsContact O-CA 3.3Å; L65-V115 WeakPolarHBondContact O-CA 3.39Å; L65-L116 PolarHBondContact O-N 2.9Å
66	I	98.6	Very high	94.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.3	177.8	-57.9	-176.1	0	0	0	109.8	F31 E32 V33 S34 V37 L116 F118 F155 T159 F162	F31-I66 HydrophobicContact CB-CD1 4.14Å; F31-I66 HydrophobicContact CD1-CD1 3.7Å; F31-I66 HydrophobicContact CD1-CG1 4.06Å; F31-I66 HydrophobicContact CG-CD1 4.24Å; E32-I66 PolarHBondContact O-N 3.16Å; V33-I66 WeakPolarHBondContact CA-O 3.3Å; V33-I66 HydrophobicContact CB-CB 4.36Å; V33-I66 HydrophobicContact CG1-CB 4.1Å; V33-I66 HydrophobicContact CG1-CG2 4.14Å; V33-I66 HydrophobicContact CG2-CB 4.07Å; V33-I66 HydrophobicContact CG2-CD1 4.19Å; V33-I66 HydrophobicContact CG2-CG1 4.42Å; S34-I66 PolarHBondContact N-O 3.18Å; V37-I66 WeakPolarHBondContact CG2-O 3.23Å; I66-L116 WeakPolarHBondContact CA-O 3.02Å; I66-L116 HydrophobicContact CG1-CB 4.39Å; I66-L116 HydrophobicContact CG2-CD2 4.34Å; I66-F118 HydrophobicContact CG2-CD2 3.88Å; I66-F118 HydrophobicContact CG2-CE2 3.59Å; I66-F155 HydrophobicContact CG2-CE2 4.1Å; I66-F155 HydrophobicContact CG2-CZ 4.19Å; I66-T159 HydrophobicContact CD1-CG2 4.34Å; I66-T159 HydrophobicContact CG2-CG2 4.44Å; I66-F162 HydrophobicContact CD1-CD1 4.07Å; I66-F162 HydrophobicContact CD1-CE1 4.15Å
67	G	98	Very high	94.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	172.4	179.4	0	0	0	0	0	114.8	L116 L117 F118	G67-L116 PolarHBondContact N-O 3.22Å; G67-L117 CarbonylContact O-C 3.53Å; G67-L117 VanDerWaalsContact O-CA 3.26Å; G67-L117 WeakPolarHBondContact O-CA 3.04Å; G67-F118 PolarHBondContact O-N 2.96Å
68	P	97.1	Very high	94.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	143.9	167.9	29.7	-36.6	0	0	0	112.1	W35 F70 I120	W35-P68 HydrophobicContact CD2-CG 4.09Å; W35-P68 HydrophobicContact CE3-CG 4.19Å; W35-P68 HydrophobicContact CG-CG 4.5Å; W35-P68 HydrophobicContact CH2-CB 4.46Å; W35-P68 HydrophobicContact CZ3-CB 4.43Å; W35-P68 HydrophobicContact CZ3-CG 4.47Å; W35-P68 WeakPolarHBondContact O-CG 3.45Å; P68-F70 HydrophobicContact CB-CD2 4.5Å; P68-F70 HydrophobicContact CB-CE2 3.82Å; P68-F70 HydrophobicContact CB-CZ 4.21Å; P68-F70 HydrophobicContact CG-CD2 4.34Å; P68-F70 HydrophobicContact CG-CE2 3.54Å; P68-F70 HydrophobicContact CG-CZ 4.2Å; P68-I120 HydrophobicContact CB-CD1 3.72Å; P68-I120 HydrophobicContact CB-CG1 4.43Å
69	Y	96.8	Very high	94.7	Very high	48 Å²	48	48.3 Å²	48.3	19%	0.188	24%	0.242	C	C	.	.			trans	-81.6	127.5	175.1	173.6	-94.6	0	0	0	111.4	E71 V74 F103 L117 F118 D119	Y69-E71 HydrophobicContact CE1-CB 4.03Å; Y69-V74 HydrophobicContact CD2-CB 4.45Å; Y69-V74 HydrophobicContact CD2-CG2 3.62Å; Y69-V74 HydrophobicContact CE2-CB 3.95Å; Y69-V74 HydrophobicContact CE2-CG1 4.06Å; Y69-V74 HydrophobicContact CE2-CG2 3.62Å; Y69-F103 HydrophobicContact CD1-CD2 4.37Å; Y69-F103 HydrophobicContact CD1-CE2 4.1Å; Y69-F103 HydrophobicContact CD2-CB 4.16Å; Y69-F103 AromaticContact CD2-CD2 3.32Å; Y69-F103 HydrophobicContact CD2-CD2 3.32Å; Y69-F103 AromaticContact CD2-CE2 3.78Å; Y69-F103 HydrophobicContact CD2-CE2 3.78Å; Y69-F103 AromaticContact CD2-CG 3.74Å; Y69-F103 HydrophobicContact CD2-CG 3.74Å; Y69-F103 HydrophobicContact CE1-CE2 4.1Å; Y69-F103 HydrophobicContact CE1-CZ 4.45Å; Y69-F103 HydrophobicContact CE2-CB 4.45Å; Y69-F103 HydrophobicContact CE2-CD1 4.1Å; Y69-F103 AromaticContact CE2-CD2 3.62Å; Y69-F103 HydrophobicContact CE2-CD2 3.62Å; Y69-F103 HydrophobicContact CE2-CE1 4.25Å; Y69-F103 AromaticContact CE2-CE2 3.79Å; Y69-F103 HydrophobicContact CE2-CE2 3.79Å; Y69-F103 AromaticContact CE2-CG 3.78Å; Y69-F103 HydrophobicContact CE2-CG 3.78Å; Y69-F103 HydrophobicContact CE2-CZ 4.1Å; Y69-F103 AromaticContact CG-CD2 3.75Å; Y69-F103 HydrophobicContact CG-CD2 3.75Å; Y69-F103 AromaticContact CG-CE2 3.95Å; Y69-F103 HydrophobicContact CG-CE2 3.95Å; Y69-F103 AromaticContact CZ-CE2 3.95Å; Y69-L117 HydrophobicContact CD2-CB 4.36Å; Y69-F118 WeakPolarHBondContact CB-O 3.31Å; Y69-F118 PolarHBondContact N-O 3Å; Y69-D119 HydrophobicContact CD1-CB 4.2Å; Y69-D119 HydrophobicContact CG-CB 4.48Å
70	F	95	Very high	94.8	Very high	75 Å²	75	52.6 Å²	52.6	33%	0.329	27%	0.268	S	S	.	.			trans	-129.3	115	169.4	-63.7	-76.4	0	0	0	109.9	W35 N39 P68 H72 N73 V74	W35-F70 HydrophobicContact CZ2-CZ 4.31Å; N39-F70 HydrophobicContact CB-CD2 3.86Å; N39-F70 HydrophobicContact CB-CE2 3.82Å; N39-F70 VanDerWaalsContact CG-CE2 3.4Å; N39-F70 WeakPolarHBondContact ND2-CE2 3.48Å; P68-F70 HydrophobicContact CB-CD2 4.5Å; P68-F70 HydrophobicContact CB-CE2 3.82Å; P68-F70 HydrophobicContact CB-CZ 4.21Å; P68-F70 HydrophobicContact CG-CD2 4.34Å; P68-F70 HydrophobicContact CG-CE2 3.54Å; P68-F70 HydrophobicContact CG-CZ 4.2Å; F70-H72 VanDerWaalsContact C-N 3.34Å; F70-H72 PolarHBondContact O-N 3.09Å; F70-N73 HydrophobicContact CB-CB 4.23Å; F70-N73 PolarHBondContact O-N 2.98Å; F70-V74 PolarHBondContact O-N 3.24Å
71	E	93.2	Very high	95	Very high	109 Å²	109	52.6 Å²	52.6	51%	0.509	26%	0.26	S	S	.	.	H	α-helix	trans	-52.9	-45.5	-170.9	-175.9	-179.3	179.9	0	0	113.7	Y69 N73 K75	Y69-E71 HydrophobicContact CE1-CB 4.03Å; E71-N73 VanDerWaalsContact C-N 3.34Å; E71-N73 PolarHBondContact O-N 2.64Å; E71-K75 HydrophobicContact CG-CD 4.29Å; E71-K75 WeakPolarHBondContact O-CG 3.14Å; E71-K75 PolarHBondContact O-N 3.19Å; E71-K75 VanDerWaalsContact O-N 3.14Å; E71-K75 VanDerWaalsContact OE1-CE 3.29Å; E71-K75 WeakPolarHBondContact OE1-CE 3.42Å; E71-K75 IonicContact OE1-NZ 2.67Å; E71-K75 PolarHBondContact OE1-NZ 3.05Å
72	H	92.6	Very high	95.1	Very high	137 Å²	137	52.6 Å²	52.6	63%	0.634	26%	0.261	S	S	*	.	H	α-helix	trans	-62	-40.4	179	176.1	-83.2	0	0	0	112.5	F70 T76	F70-H72 VanDerWaalsContact C-N 3.34Å; F70-H72 PolarHBondContact O-N 3.09Å; H72-T76 WeakPolarHBondContact O-CG2 3.49Å; H72-T76 PolarHBondContact O-N 3.05Å; H72-T76 PolarHBondContact O-OG1 3.33Å
73	N	92.2	Very high	95	Very high	28 Å²	28	51.6 Å²	51.6	15%	0.15	26%	0.256	C	S	.	.	H	α-helix	trans	-74.9	-39.8	-176.8	-63.5	-6.3	0	0	0	111.1	T38 N39 F70 E71 K75 T76 Q77	T38-N73 VanDerWaalsContact O-CB 3.25Å; T38-N73 WeakPolarHBondContact O-CB 3.49Å; T38-N73 PolarHBondContact O-ND2 3.16Å; N39-N73 PolarHBondContact OD1-ND2 2.84Å; F70-N73 HydrophobicContact CB-CB 4.23Å; F70-N73 PolarHBondContact O-N 2.98Å; E71-N73 VanDerWaalsContact C-N 3.34Å; E71-N73 PolarHBondContact O-N 2.64Å; N73-K75 PolarHBondContact O-N 3.03Å; N73-T76 PolarHBondContact O-N 3.49Å; N73-T76 PolarHBondContact O-OG1 3.05Å; N73-T76 VanDerWaalsContact O-OG1 3.07Å; N73-Q77 WeakPolarHBondContact O-CB 3.41Å; N73-Q77 PolarHBondContact O-N 2.85Å
74	V	92.1	Very high	94.7	Very high	9 Å²	9	54.4 Å²	54.4	6%	0.055	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-45.6	176.8	174	0	0	0	0	110.9	Y69 F70 T76 Q77 V78 V80 L117	Y69-V74 HydrophobicContact CD2-CB 4.45Å; Y69-V74 HydrophobicContact CD2-CG2 3.62Å; Y69-V74 HydrophobicContact CE2-CB 3.95Å; Y69-V74 HydrophobicContact CE2-CG1 4.06Å; Y69-V74 HydrophobicContact CE2-CG2 3.62Å; F70-V74 PolarHBondContact O-N 3.24Å; V74-T76 PolarHBondContact O-N 2.9Å; V74-T76 VanDerWaalsContact O-N 3.13Å; V74-Q77 PolarHBondContact O-N 3.07Å; V74-V78 HydrophobicContact CB-CB 4.47Å; V74-V78 HydrophobicContact CG1-CB 4Å; V74-V78 HydrophobicContact CG1-CG1 4.4Å; V74-V78 HydrophobicContact CG2-CG2 4.42Å; V74-V78 PolarHBondContact O-N 3.03Å; V74-V80 HydrophobicContact CG1-CG2 4.25Å; V74-L117 HydrophobicContact CG2-CD1 3.44Å; V74-L117 VanDerWaalsContact CG2-CD1 3.44Å
75	K	92.6	Very high	94.4	Very high	153 Å²	153	56.1 Å²	56.1	67%	0.665	28%	0.283	S	S	*	.	H	α-helix	trans	-59.8	-25.3	177.8	-74.2	178.4	-175.7	173.8	0	114.1	E71 N73	E71-K75 HydrophobicContact CG-CD 4.29Å; E71-K75 WeakPolarHBondContact O-CG 3.14Å; E71-K75 PolarHBondContact O-N 3.19Å; E71-K75 VanDerWaalsContact O-N 3.14Å; E71-K75 VanDerWaalsContact OE1-CE 3.29Å; E71-K75 WeakPolarHBondContact OE1-CE 3.42Å; E71-K75 IonicContact OE1-NZ 2.67Å; E71-K75 PolarHBondContact OE1-NZ 3.05Å; N73-K75 PolarHBondContact O-N 3.03Å
76	T	92	Very high	94.1	Very high	83 Å²	83	61 Å²	61	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-103.1	-26.4	-175	50.1	0	0	0	0	113.5	H72 N73 V74	H72-T76 WeakPolarHBondContact O-CG2 3.49Å; H72-T76 PolarHBondContact O-N 3.05Å; H72-T76 PolarHBondContact O-OG1 3.33Å; N73-T76 PolarHBondContact O-N 3.49Å; N73-T76 PolarHBondContact O-OG1 3.05Å; N73-T76 VanDerWaalsContact O-OG1 3.07Å; V74-T76 PolarHBondContact O-N 2.9Å; V74-T76 VanDerWaalsContact O-N 3.13Å
77	Q	93.6	Very high	93.8	Very high	41 Å²	41	61.8 Å²	61.8	19%	0.192	32%	0.321	C	S	.	.	H	α-helix	trans	-124.3	-9.8	-169.2	-60.6	176.5	52	0	0	114.4	Y45 N73 V74 L108	Y45-Q77 PolarHBondContact OH-OE1 2.84Å; N73-Q77 WeakPolarHBondContact O-CB 3.41Å; N73-Q77 PolarHBondContact O-N 2.85Å; V74-Q77 PolarHBondContact O-N 3.07Å; Q77-L108 VanDerWaalsContact O-CB 3.28Å; Q77-L108 WeakPolarHBondContact O-CB 3.26Å; Q77-L108 WeakPolarHBondContact O-CG 3.33Å; Q77-L108 PolarHBondContact O-N 3.21Å
78	V	96.7	Very high	93.6	Very high	15 Å²	15	61.8 Å²	61.8	9%	0.091	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129	-170.9	-178.9	0	0	0	0	111.3	T38 V74 R106 V115 L117	T38-V78 HydrophobicContact CG2-CG2 3.7Å; V74-V78 HydrophobicContact CB-CB 4.47Å; V74-V78 HydrophobicContact CG1-CB 4Å; V74-V78 HydrophobicContact CG1-CG1 4.4Å; V74-V78 HydrophobicContact CG2-CG2 4.42Å; V74-V78 PolarHBondContact O-N 3.03Å; V78-R106 WeakPolarHBondContact CA-O 3.37Å; V78-V115 HydrophobicContact CG1-CG2 3.77Å; V78-V115 HydrophobicContact CG2-CG2 4.3Å; V78-L117 HydrophobicContact CG2-CD1 4.33Å
79	E	96.5	Very high	93.5	Very high	116 Å²	116	65.3 Å²	65.3	54%	0.542	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	105.8	168.1	-177.8	178.6	-165.8	0	0	109.3	C81 G105 R106 L108	E79-C81 PolarHBondContact O-N 3.15Å; E79-G105 CarbonylContact O-C 3.57Å; E79-G105 WeakPolarHBondContact O-CA 3.15Å; E79-R106 PolarHBondContact N-O 2.67Å; E79-R106 PolarHBondContact O-N 2.78Å; E79-L108 HydrophobicContact CB-CD2 4Å; E79-L108 HydrophobicContact CB-CG 4.45Å
80	V	95.6	Very high	93.4	Very high	95 Å²	95	68.4 Å²	68.4	58%	0.576	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	129.4	-178.8	-179.6	0	0	0	0	110	V74	V74-V80 HydrophobicContact CG1-CG2 4.25Å
81	C	94.8	Very high	93.4	Very high	45 Å²	45	64.9 Å²	64.9	30%	0.304	34%	0.335	S	S	.	.			trans	-146.7	173	177.1	59.9	0	0	0	0	110.9	E79 F104	E79-C81 PolarHBondContact O-N 3.15Å; C81-F104 PolarHBondContact N-O 3.38Å; C81-F104 WeakPolarHBondContact O-CD1 3.09Å; C81-F104 VanDerWaalsContact O-O 3.13Å
82	E	93.3	Very high	93.5	Very high	116 Å²	116	59.8 Å²	59.8	54%	0.542	31%	0.312	S	S	.	.			trans	-84.4	144	173.6	-74.9	-71.5	134.9	0	0	110.6	K89	E82-K89 WeakPolarHBondContact OE2-CE 3.41Å; E82-K89 IonicContact OE2-NZ 2.87Å; E82-K89 PolarHBondContact OE2-NZ 3.37Å
83	P	92.9	Very high	93.6	Very high	11 Å²	11	56.8 Å²	56.8	7%	0.071	30%	0.3	C	S	.	.			trans	-62.1	125.5	176.7	-16.4	27.2	0	0	0	111.1	N85 V88 K89 M92 F104	P83-N85 VanDerWaalsContact C-N 3.31Å; P83-V88 HydrophobicContact CB-CB 4.36Å; P83-V88 HydrophobicContact CB-CG1 3.97Å; P83-V88 HydrophobicContact CG-CG1 4.45Å; P83-K89 HydrophobicContact CB-CB 4.13Å; P83-K89 HydrophobicContact CG-CB 4.21Å; P83-M92 HydrophobicContact CG-CE 4.39Å; P83-M92 HydrophobicContact CG-SD 3.55Å; P83-M92 VanDerWaalsContact CG-SD 3.55Å; P83-F104 VanDerWaalsContact CA-CE1 3.49Å; P83-F104 HydrophobicContact CB-CD1 4.21Å; P83-F104 HydrophobicContact CB-CD2 4.13Å; P83-F104 HydrophobicContact CB-CE1 4.15Å; P83-F104 HydrophobicContact CB-CE2 4.04Å; P83-F104 HydrophobicContact CB-CG 4.2Å; P83-F104 HydrophobicContact CB-CZ 4.05Å; P83-F104 HydrophobicContact CG-CB 3.99Å; P83-F104 HydrophobicContact CG-CD1 3.98Å; P83-F104 HydrophobicContact CG-CD2 3.88Å; P83-F104 HydrophobicContact CG-CE1 4.43Å; P83-F104 HydrophobicContact CG-CE2 4.31Å; P83-F104 HydrophobicContact CG-CG 3.68Å
84	P	89.8	Confident	93.8	Very high	60 Å²	60	57.7 Å²	57.7	39%	0.39	31%	0.307	S	S	.	.	S	Bend	trans	-69.6	-32.8	178.1	30.1	-37.2	0	0	0	111.6	P86 Y114	P84-P86 WeakPolarHBondContact O-CD 3.13Å; P84-Y114 HydrophobicContact CG-CE1 4.26Å; P84-Y114 HydrophobicContact CG-CE2 3.96Å
85	N	90.5	Very high	93.9	Very high	37 Å²	37	57.3 Å²	57.3	20%	0.198	30%	0.304	C	S	.	.	S	Bend	trans	-78.6	118.7	179.9	-173.3	-45.7	0	0	0	110.5	P83 A87 V88 K89	P83-N85 VanDerWaalsContact C-N 3.31Å; N85-A87 VanDerWaalsContact C-N 3.3Å; N85-A87 PolarHBondContact O-N 3.08Å; N85-A87 WeakPolarHBondContact OD1-CB 3.16Å; N85-A87 PolarHBondContact OD1-N 2.9Å; N85-V88 HydrophobicContact CB-CB 4.13Å; N85-V88 HydrophobicContact CB-CG2 3.9Å; N85-V88 PolarHBondContact O-N 3.19Å; N85-V88 PolarHBondContact OD1-N 2.78Å; N85-K89 PolarHBondContact O-N 3.28Å
86	P	91.9	Very high	94	Very high	103 Å²	103	53.4 Å²	53.4	67%	0.669	29%	0.288	S	S	*	.	H	α-helix	trans	-61.7	-33.2	-178.1	-24.3	34.6	0	0	0	114.2	P84 K89 K90	P84-P86 WeakPolarHBondContact O-CD 3.13Å; P86-K89 PolarHBondContact O-N 3.1Å; P86-K90 WeakPolarHBondContact O-CB 3.47Å; P86-K90 PolarHBondContact O-N 3.07Å
87	A	92.1	Very high	94.1	Very high	15 Å²	15	52.7 Å²	52.7	12%	0.124	30%	0.296	C	S	.	.	H	α-helix	trans	-67.8	-42.4	178.7	0	0	0	0	0	111	N85 K90 A91 L166 Q169 F170	N85-A87 VanDerWaalsContact C-N 3.3Å; N85-A87 PolarHBondContact O-N 3.08Å; N85-A87 WeakPolarHBondContact OD1-CB 3.16Å; N85-A87 PolarHBondContact OD1-N 2.9Å; A87-K90 PolarHBondContact O-N 2.68Å; A87-A91 WeakPolarHBondContact O-CB 3.48Å; A87-A91 PolarHBondContact O-N 3.19Å; A87-L166 HydrophobicContact CB-CD1 3.92Å; A87-Q169 HydrophobicContact CB-CB 3.86Å; A87-Q169 HydrophobicContact CB-CG 4.11Å; A87-F170 HydrophobicContact CB-CE2 4.28Å; A87-F170 HydrophobicContact CB-CZ 4.03Å
88	V	93.9	Very high	94	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-46.7	174.3	174.8	0	0	0	0	110.6	F31 F64 P83 N85 K90 A91 M92 F104 F162 L166	F31-V88 HydrophobicContact CZ-CG2 4.27Å; F64-V88 HydrophobicContact CE1-CG2 4.41Å; F64-V88 HydrophobicContact CZ-CG2 4.25Å; P83-V88 HydrophobicContact CB-CB 4.36Å; P83-V88 HydrophobicContact CB-CG1 3.97Å; P83-V88 HydrophobicContact CG-CG1 4.45Å; N85-V88 HydrophobicContact CB-CB 4.13Å; N85-V88 HydrophobicContact CB-CG2 3.9Å; N85-V88 PolarHBondContact O-N 3.19Å; N85-V88 PolarHBondContact OD1-N 2.78Å; V88-K90 PolarHBondContact O-N 3.28Å; V88-A91 PolarHBondContact O-N 2.85Å; V88-M92 HydrophobicContact CG1-SD 4.29Å; V88-M92 WeakPolarHBondContact O-CG 3.43Å; V88-M92 PolarHBondContact O-N 3.26Å; V88-F104 HydrophobicContact CG1-CE2 4.37Å; V88-F162 HydrophobicContact CG1-CE2 4.36Å; V88-F162 HydrophobicContact CG1-CZ 4.12Å; V88-L166 HydrophobicContact CG2-CD1 4.1Å
89	K	95.1	Very high	93.7	Very high	75 Å²	75	58 Å²	58	33%	0.326	33%	0.332	S	S	.	.	H	α-helix	trans	-58.3	-48.7	177.7	-178.8	166.8	176	147.3	0	112	E82 P83 N85 P86 A91 M92 D93	E82-K89 WeakPolarHBondContact OE2-CE 3.41Å; E82-K89 IonicContact OE2-NZ 2.87Å; E82-K89 PolarHBondContact OE2-NZ 3.37Å; P83-K89 HydrophobicContact CB-CB 4.13Å; P83-K89 HydrophobicContact CG-CB 4.21Å; N85-K89 PolarHBondContact O-N 3.28Å; P86-K89 PolarHBondContact O-N 3.1Å; K89-A91 PolarHBondContact O-N 3.23Å; K89-M92 WeakPolarHBondContact O-CB 3.5Å; K89-M92 PolarHBondContact O-N 3.48Å; K89-D93 VanDerWaalsContact O-CG 3.28Å; K89-D93 PolarHBondContact O-N 2.92Å
90	K	94.7	Very high	93.6	Very high	114 Å²	114	52.4 Å²	52.4	50%	0.496	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-41.8	179.6	-174.7	171.5	168	-161.2	0	112.3	P86 A87 V88 M92 D93 T94 Q169	P86-K90 WeakPolarHBondContact O-CB 3.47Å; P86-K90 PolarHBondContact O-N 3.07Å; A87-K90 PolarHBondContact O-N 2.68Å; V88-K90 PolarHBondContact O-N 3.28Å; K90-M92 VanDerWaalsContact C-N 3.33Å; K90-M92 PolarHBondContact O-N 3.29Å; K90-D93 PolarHBondContact O-N 3.46Å; K90-T94 PolarHBondContact O-N 3.35Å; K90-T94 PolarHBondContact O-OG1 3.48Å; K90-Q169 VanDerWaalsContact CD-OE1 3.26Å; K90-Q169 VanDerWaalsContact CE-OE1 3.24Å
91	A	95.1	Very high	93.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-41.5	174.9	0	0	0	0	0	112	A87 V88 K89 I95 F162 E165 L166	A87-A91 WeakPolarHBondContact O-CB 3.48Å; A87-A91 PolarHBondContact O-N 3.19Å; V88-A91 PolarHBondContact O-N 2.85Å; K89-A91 PolarHBondContact O-N 3.23Å; A91-I95 PolarHBondContact O-N 3.03Å; A91-F162 HydrophobicContact CB-CD2 3.91Å; A91-F162 HydrophobicContact CB-CE2 3.71Å; A91-E165 HydrophobicContact CB-CB 3.86Å; A91-L166 HydrophobicContact CB-CB 4.2Å
92	M	95.4	Very high	93.6	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-64.5	-43.1	174.4	-72.5	-178.1	55.6	0	0	112.6	P83 V88 K89 K90 T94 I95 K96 V102 F104 L116 F162	P83-M92 HydrophobicContact CG-CE 4.39Å; P83-M92 HydrophobicContact CG-SD 3.55Å; P83-M92 VanDerWaalsContact CG-SD 3.55Å; V88-M92 HydrophobicContact CG1-SD 4.29Å; V88-M92 WeakPolarHBondContact O-CG 3.43Å; V88-M92 PolarHBondContact O-N 3.26Å; K89-M92 WeakPolarHBondContact O-CB 3.5Å; K89-M92 PolarHBondContact O-N 3.48Å; K90-M92 VanDerWaalsContact C-N 3.33Å; K90-M92 PolarHBondContact O-N 3.29Å; M92-T94 VanDerWaalsContact C-N 3.31Å; M92-T94 PolarHBondContact O-N 3.36Å; M92-I95 PolarHBondContact O-N 3.48Å; M92-K96 WeakPolarHBondContact O-CG 3.46Å; M92-K96 PolarHBondContact O-N 3.33Å; M92-V102 HydrophobicContact CE-CB 4.09Å; M92-V102 HydrophobicContact CE-CG1 3.86Å; M92-V102 HydrophobicContact CG-CG1 4.31Å; M92-F104 HydrophobicContact CE-CB 3.8Å; M92-F104 HydrophobicContact SD-CB 4Å; M92-F104 HydrophobicContact SD-CD2 4.08Å; M92-F104 HydrophobicContact SD-CG 4.4Å; M92-L116 HydrophobicContact CG-CD1 3.85Å; M92-L116 HydrophobicContact SD-CD1 3.86Å; M92-L116 HydrophobicContact SD-CG 4.37Å; M92-F162 HydrophobicContact CG-CD2 4.49Å; M92-F162 HydrophobicContact CG-CE2 4.05Å
93	D	95.6	Very high	93.7	Very high	74 Å²	74	47.5 Å²	47.5	40%	0.396	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-35.9	-179.5	-69.9	-21.6	0	0	0	111.8	K89 K90 K96 G97	K89-D93 VanDerWaalsContact O-CG 3.28Å; K89-D93 PolarHBondContact O-N 2.92Å; K90-D93 PolarHBondContact O-N 3.46Å; D93-K96 PolarHBondContact O-N 3.05Å; D93-G97 PolarHBondContact O-N 3.4Å
94	T	95.3	Very high	94	Very high	48 Å²	48	47.4 Å²	47.4	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-59.7	-46	172.4	-59.2	0	0	0	0	111.8	K90 M92 G97 Q98 E165	K90-T94 PolarHBondContact O-N 3.35Å; K90-T94 PolarHBondContact O-OG1 3.48Å; M92-T94 VanDerWaalsContact C-N 3.31Å; M92-T94 PolarHBondContact O-N 3.36Å; T94-G97 PolarHBondContact O-N 3.22Å; T94-Q98 WeakPolarHBondContact O-CG 3.3Å; T94-Q98 PolarHBondContact O-N 3.26Å; T94-E165 HydrophobicContact CG2-CG 4.1Å
95	I	94.3	Very high	94.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-42.5	179.2	-67.5	175.2	0	0	0	110.8	A91 M92 G97 Q98 C100 V102 F118 W161 F162	A91-I95 PolarHBondContact O-N 3.03Å; M92-I95 PolarHBondContact O-N 3.48Å; I95-G97 VanDerWaalsContact C-N 3.32Å; I95-G97 PolarHBondContact O-N 3.28Å; I95-Q98 PolarHBondContact O-N 3.11Å; I95-Q98 VanDerWaalsContact O-N 3.15Å; I95-C100 HydrophobicContact CG2-CB 3.61Å; I95-C100 PolarHBondContact O-N 2.82Å; I95-V102 HydrophobicContact CB-CG2 4.21Å; I95-V102 HydrophobicContact CG2-CG2 3.56Å; I95-F118 HydrophobicContact CD1-CE1 4.22Å; I95-W161 HydrophobicContact CG1-CD2 4.29Å; I95-W161 HydrophobicContact CG1-CG 4.49Å; I95-F162 HydrophobicContact CD1-CB 3.62Å; I95-F162 HydrophobicContact CD1-CD2 4.23Å; I95-F162 HydrophobicContact CD1-CG 4.44Å
96	K	94.9	Very high	94.6	Very high	72 Å²	72	46 Å²	46	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-40.6	174.7	-72.2	175.5	-178.5	175.5	0	112.4	M92 D93 Q98 G99 C100 V102	M92-K96 WeakPolarHBondContact O-CG 3.46Å; M92-K96 PolarHBondContact O-N 3.33Å; D93-K96 PolarHBondContact O-N 3.05Å; K96-Q98 PolarHBondContact O-N 3.32Å; K96-G99 PolarHBondContact O-N 2.77Å; K96-C100 VanDerWaalsContact CA-O 3.29Å; K96-C100 WeakPolarHBondContact CA-O 3.3Å; K96-V102 WeakPolarHBondContact CE-O 3.37Å
97	G	93.6	Very high	94.9	Very high	67 Å²	67	41.2 Å²	41.2	69%	0.691	22%	0.223	S	C	*	.	H	α-helix	trans	-61.5	-21.9	176.7	0	0	0	0	0	114.1	D93 T94 I95	D93-G97 PolarHBondContact O-N 3.4Å; T94-G97 PolarHBondContact O-N 3.22Å; I95-G97 VanDerWaalsContact C-N 3.32Å; I95-G97 PolarHBondContact O-N 3.28Å
98	Q	91.4	Very high	95	Very high	123 Å²	123	45.1 Å²	45.1	58%	0.575	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	10.7	177.1	-62.3	-70.6	-22.8	0	0	113.2	T94 I95 K96 W161	T94-Q98 WeakPolarHBondContact O-CG 3.3Å; T94-Q98 PolarHBondContact O-N 3.26Å; I95-Q98 PolarHBondContact O-N 3.11Å; I95-Q98 VanDerWaalsContact O-N 3.15Å; K96-Q98 PolarHBondContact O-N 3.32Å; Q98-W161 HydrophobicContact CB-CH2 3.59Å; Q98-W161 HydrophobicContact CB-CZ2 4.13Å; Q98-W161 HydrophobicContact CG-CH2 3.8Å; Q98-W161 HydrophobicContact CG-CZ2 3.83Å
99	G	90	Very high	95	Very high	44 Å²	44	46.1 Å²	46.1	45%	0.454	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	3.4	173	0	0	0	0	0	115.7	K96	K96-G99 PolarHBondContact O-N 2.77Å
100	C	94.4	Very high	94.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.			trans	-91	140.8	174.4	-64.1	0	0	0	0	110.8	I95 K96 L158	I95-C100 HydrophobicContact CG2-CB 3.61Å; I95-C100 PolarHBondContact O-N 2.82Å; K96-C100 VanDerWaalsContact CA-O 3.29Å; K96-C100 WeakPolarHBondContact CA-O 3.3Å; C100-L158 HydrophobicContact CB-CD2 4.14Å
101	Q	94.8	Very high	94.4	Very high	88 Å²	88	42.6 Å²	42.6	41%	0.411	24%	0.24	S	C	.	.			trans	-95.1	132	179.5	-60.7	-62.5	-39.1	0	0	111.5	F103 D119 S122	Q101-F103 HydrophobicContact CB-CE2 4.07Å; Q101-D119 HydrophobicContact CB-CB 3.89Å; Q101-D119 PolarHBondContact O-N 3.34Å; Q101-S122 PolarHBondContact N-OG 2.96Å
102	V	95.8	Very high	94.4	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	129.4	178.7	-165.5	0	0	0	0	109.2	M92 I95 K96 L116 F118	M92-V102 HydrophobicContact CE-CB 4.09Å; M92-V102 HydrophobicContact CE-CG1 3.86Å; M92-V102 HydrophobicContact CG-CG1 4.31Å; I95-V102 HydrophobicContact CB-CG2 4.21Å; I95-V102 HydrophobicContact CG2-CG2 3.56Å; K96-V102 WeakPolarHBondContact CE-O 3.37Å; V102-L116 HydrophobicContact CG1-CD1 4.42Å; V102-L116 HydrophobicContact CG1-CD2 3.57Å; V102-L116 HydrophobicContact CG1-CG 3.8Å; V102-F118 HydrophobicContact CB-CD1 4.35Å; V102-F118 HydrophobicContact CB-CE1 4.42Å; V102-F118 HydrophobicContact CG1-CD1 3.88Å; V102-F118 HydrophobicContact CG1-CE1 3.79Å; V102-F118 HydrophobicContact CG2-CD1 3.72Å; V102-F118 HydrophobicContact CG2-CE1 3.72Å
103	F	96.4	Very high	94.5	Very high	62 Å²	62	45.8 Å²	45.8	27%	0.272	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.8	-179	-61.8	-92.2	0	0	0	110.1	Y69 Q101 L116 L117 D119	Y69-F103 HydrophobicContact CD1-CD2 4.37Å; Y69-F103 HydrophobicContact CD1-CE2 4.1Å; Y69-F103 HydrophobicContact CD2-CB 4.16Å; Y69-F103 AromaticContact CD2-CD2 3.32Å; Y69-F103 HydrophobicContact CD2-CD2 3.32Å; Y69-F103 AromaticContact CD2-CE2 3.78Å; Y69-F103 HydrophobicContact CD2-CE2 3.78Å; Y69-F103 AromaticContact CD2-CG 3.74Å; Y69-F103 HydrophobicContact CD2-CG 3.74Å; Y69-F103 HydrophobicContact CE1-CE2 4.1Å; Y69-F103 HydrophobicContact CE1-CZ 4.45Å; Y69-F103 HydrophobicContact CE2-CB 4.45Å; Y69-F103 HydrophobicContact CE2-CD1 4.1Å; Y69-F103 AromaticContact CE2-CD2 3.62Å; Y69-F103 HydrophobicContact CE2-CD2 3.62Å; Y69-F103 HydrophobicContact CE2-CE1 4.25Å; Y69-F103 AromaticContact CE2-CE2 3.79Å; Y69-F103 HydrophobicContact CE2-CE2 3.79Å; Y69-F103 AromaticContact CE2-CG 3.78Å; Y69-F103 HydrophobicContact CE2-CG 3.78Å; Y69-F103 HydrophobicContact CE2-CZ 4.1Å; Y69-F103 AromaticContact CG-CD2 3.75Å; Y69-F103 HydrophobicContact CG-CD2 3.75Å; Y69-F103 AromaticContact CG-CE2 3.95Å; Y69-F103 HydrophobicContact CG-CE2 3.95Å; Y69-F103 AromaticContact CZ-CE2 3.95Å; Q101-F103 HydrophobicContact CB-CE2 4.07Å; F103-L116 CarbonylContact O-C 3.22Å; F103-L116 WeakPolarHBondContact O-CA 3.16Å; F103-L117 HydrophobicContact CB-CB 4.37Å; F103-L117 PolarHBondContact N-O 3.34Å; F103-L117 PolarHBondContact O-N 3.08Å; F103-D119 HydrophobicContact CE2-CB 4.22Å
104	F	97.9	Very high	94.6	Very high	9 Å²	9	43 Å²	43	4%	0.039	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.2	175.7	-172.9	-89.1	0	0	0	110	F64 C81 P83 V88 M92 Y114 V115 L116	F64-F104 AromaticContact CD1-CE2 3.91Å; F64-F104 HydrophobicContact CD1-CE2 3.91Å; F64-F104 HydrophobicContact CD1-CZ 4.32Å; F64-F104 AromaticContact CE1-CE2 3.91Å; F64-F104 HydrophobicContact CE1-CE2 3.91Å; F64-F104 HydrophobicContact CE1-CZ 4Å; C81-F104 PolarHBondContact N-O 3.38Å; C81-F104 WeakPolarHBondContact O-CD1 3.09Å; C81-F104 VanDerWaalsContact O-O 3.13Å; P83-F104 VanDerWaalsContact CA-CE1 3.49Å; P83-F104 HydrophobicContact CB-CD1 4.21Å; P83-F104 HydrophobicContact CB-CD2 4.13Å; P83-F104 HydrophobicContact CB-CE1 4.15Å; P83-F104 HydrophobicContact CB-CE2 4.04Å; P83-F104 HydrophobicContact CB-CG 4.2Å; P83-F104 HydrophobicContact CB-CZ 4.05Å; P83-F104 HydrophobicContact CG-CB 3.99Å; P83-F104 HydrophobicContact CG-CD1 3.98Å; P83-F104 HydrophobicContact CG-CD2 3.88Å; P83-F104 HydrophobicContact CG-CE1 4.43Å; P83-F104 HydrophobicContact CG-CE2 4.31Å; P83-F104 HydrophobicContact CG-CG 3.68Å; V88-F104 HydrophobicContact CG1-CE2 4.37Å; M92-F104 HydrophobicContact CE-CB 3.8Å; M92-F104 HydrophobicContact SD-CB 4Å; M92-F104 HydrophobicContact SD-CD2 4.08Å; M92-F104 HydrophobicContact SD-CG 4.4Å; F104-Y114 AromaticContact CE1-CD1 3.39Å; F104-Y114 HydrophobicContact CE1-CD1 3.39Å; F104-Y114 AromaticContact CE1-CE1 3.79Å; F104-Y114 HydrophobicContact CE1-CE1 3.79Å; F104-Y114 HydrophobicContact CE1-CG 4.17Å; F104-Y114 HydrophobicContact CE2-CD1 4.41Å; F104-Y114 HydrophobicContact CE2-CG 4.43Å; F104-Y114 AromaticContact CZ-CD1 3.28Å; F104-Y114 HydrophobicContact CZ-CD1 3.28Å; F104-Y114 HydrophobicContact CZ-CD2 4.43Å; F104-Y114 AromaticContact CZ-CE1 3.95Å; F104-Y114 HydrophobicContact CZ-CE1 3.95Å; F104-Y114 AromaticContact CZ-CG 3.56Å; F104-Y114 HydrophobicContact CZ-CG 3.56Å; F104-V115 WeakPolarHBondContact CA-O 3.37Å; F104-L116 HydrophobicContact CD2-CB 4.5Å
105	G	97	Very high	94.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	-172.4	179.5	0	0	0	0	0	113.1	E79 Y114 V115	E79-G105 CarbonylContact O-C 3.57Å; E79-G105 WeakPolarHBondContact O-CA 3.15Å; G105-Y114 CarbonylContact O-C 3.51Å; G105-Y114 WeakPolarHBondContact O-CA 3.48Å; G105-V115 PolarHBondContact N-O 3.17Å; G105-V115 WeakPolarHBondContact O-CG2 3.46Å; G105-V115 PolarHBondContact O-N 2.93Å
106	R	97.1	Very high	94.9	Very high	68 Å²	68	40.7 Å²	40.7	26%	0.257	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.4	168.1	-72.8	-177.3	170.9	-113.9	6.5	109.6	V78 E79 L108 T112 P113 Y114	V78-R106 WeakPolarHBondContact CA-O 3.37Å; E79-R106 PolarHBondContact N-O 2.67Å; E79-R106 PolarHBondContact O-N 2.78Å; R106-L108 PolarHBondContact O-N 3.06Å; R106-T112 PolarHBondContact NH1-O 3.17Å; R106-T112 VanDerWaalsContact NH1-O 3.17Å; R106-T112 PolarHBondContact NH1-OG1 3.37Å; R106-P113 WeakPolarHBondContact CA-O 3.38Å; R106-Y114 HydrophobicContact CG-CD1 3.83Å; R106-Y114 HydrophobicContact CG-CE1 3.84Å; R106-Y114 PolarHBondContact NH2-OH 2.78Å
107	W	97.3	Very high	95.1	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	123.6	173.4	-166.4	7.7	0	0	0	109.5	T38 Y45 I48 Q49 L65 I109 T112 P113 V115	T38-W107 HydrophobicContact CG2-CD2 4.05Å; T38-W107 HydrophobicContact CG2-CG 4.02Å; Y45-W107 HydrophobicContact CD2-CH2 4.28Å; Y45-W107 HydrophobicContact CD2-CZ2 4.14Å; Y45-W107 HydrophobicContact CE2-CH2 4.03Å; Y45-W107 AromaticContact CE2-CZ2 3.44Å; Y45-W107 HydrophobicContact CE2-CZ2 3.44Å; Y45-W107 VanDerWaalsContact CE2-CZ2 3.44Å; Y45-W107 AromaticContact CZ-CZ2 3.67Å; I48-W107 HydrophobicContact CG2-CZ3 3.94Å; Q49-W107 HydrophobicContact CB-CH2 3.93Å; Q49-W107 HydrophobicContact CB-CZ2 4.38Å; Q49-W107 HydrophobicContact CG-CH2 4.48Å; L65-W107 HydrophobicContact CD1-CE3 3.78Å; L65-W107 HydrophobicContact CD1-CZ3 4.08Å; W107-I109 HydrophobicContact CB-CG1 4.19Å; W107-I109 HydrophobicContact CD2-CD1 3.58Å; W107-I109 HydrophobicContact CD2-CG1 3.91Å; W107-I109 HydrophobicContact CD2-CG2 4.09Å; W107-I109 HydrophobicContact CE3-CD1 3.38Å; W107-I109 HydrophobicContact CE3-CG1 4.16Å; W107-I109 HydrophobicContact CG-CD1 4.15Å; W107-I109 HydrophobicContact CG-CG1 3.93Å; W107-I109 HydrophobicContact CG-CG2 4.13Å; W107-I109 HydrophobicContact CH2-CD1 4.15Å; W107-I109 HydrophobicContact CZ2-CD1 4.31Å; W107-I109 HydrophobicContact CZ2-CG2 4.23Å; W107-I109 HydrophobicContact CZ3-CD1 3.7Å; W107-I109 PolarHBondContact O-N 2.87Å; W107-T112 WeakPolarHBondContact O-CA 3.34Å; W107-P113 HydrophobicContact CB-CG 4.26Å; W107-P113 PolarHBondContact N-O 2.61Å; W107-V115 HydrophobicContact CB-CG1 3.78Å; W107-V115 HydrophobicContact CG-CG1 4.44Å
108	L	95.7	Very high	95.3	Very high	98 Å²	98	34.2 Å²	34.2	51%	0.513	18%	0.182	S	C	.	.	S	Bend	trans	-75.9	64.1	-176.8	-62.2	176.2	0	0	0	112	Q77 E79 R106	Q77-L108 VanDerWaalsContact O-CB 3.28Å; Q77-L108 WeakPolarHBondContact O-CB 3.26Å; Q77-L108 WeakPolarHBondContact O-CG 3.33Å; Q77-L108 PolarHBondContact O-N 3.21Å; E79-L108 HydrophobicContact CB-CD2 4Å; E79-L108 HydrophobicContact CB-CG 4.45Å; R106-L108 PolarHBondContact O-N 3.06Å
109	I	93	Very high	95.5	Very high	20 Å²	20	30.3 Å²	30.3	10%	0.103	17%	0.166	C	C	.	.	S	Bend	trans	-131.6	173.1	176.8	60.7	165	0	0	0	109.9	Q49 A52 W107 G111 T112 P113	Q49-I109 HydrophobicContact CB-CD1 4.41Å; Q49-I109 HydrophobicContact CG-CB 4.31Å; Q49-I109 HydrophobicContact CG-CD1 4.02Å; Q49-I109 HydrophobicContact CG-CG2 4.01Å; A52-I109 HydrophobicContact CB-CD1 3.61Å; W107-I109 HydrophobicContact CB-CG1 4.19Å; W107-I109 HydrophobicContact CD2-CD1 3.58Å; W107-I109 HydrophobicContact CD2-CG1 3.91Å; W107-I109 HydrophobicContact CD2-CG2 4.09Å; W107-I109 HydrophobicContact CE3-CD1 3.38Å; W107-I109 HydrophobicContact CE3-CG1 4.16Å; W107-I109 HydrophobicContact CG-CD1 4.15Å; W107-I109 HydrophobicContact CG-CG1 3.93Å; W107-I109 HydrophobicContact CG-CG2 4.13Å; W107-I109 HydrophobicContact CH2-CD1 4.15Å; W107-I109 HydrophobicContact CZ2-CD1 4.31Å; W107-I109 HydrophobicContact CZ2-CG2 4.23Å; W107-I109 HydrophobicContact CZ3-CD1 3.7Å; W107-I109 PolarHBondContact O-N 2.87Å; I109-G111 PolarHBondContact O-N 3.44Å; I109-T112 WeakPolarHBondContact O-CG2 3.34Å; I109-T112 PolarHBondContact O-N 3.04Å; I109-P113 HydrophobicContact CD1-CG 4.27Å; I109-P113 HydrophobicContact CG1-CG 4.4Å
110	E	88.8	Confident	95.7	Very high	89 Å²	89	29 Å²	29	42%	0.416	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	127	174.1	-68.6	-177.4	-178.9	0	0	110.5	K53 N284 K286	K53-E110 HydrophobicContact CB-CB 4.25Å; K53-E110 HydrophobicContact CD-CB 4.3Å; E110-N284 PolarHBondContact OE2-ND2 2.98Å; E110-K286 WeakPolarHBondContact OE1-CE 3.38Å; E110-K286 IonicContact OE1-NZ 3.3Å; E110-K286 PolarHBondContact OE1-NZ 2.99Å
111	G	89.6	Confident	95.7	Very high	26 Å²	26	31.7 Å²	31.7	27%	0.268	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	-15.5	-174	0	0	0	0	0	115.2	I109 P113	I109-G111 PolarHBondContact O-N 3.44Å; G111-P113 VanDerWaalsContact C-CD 3.5Å
112	T	95.1	Very high	95.6	Very high	63 Å²	63	28.8 Å²	28.8	39%	0.387	17%	0.165	S	C	.	.			trans	40.1	51	177.6	59.1	0	0	0	0	115.6	R106 W107 I109	R106-T112 PolarHBondContact NH1-O 3.17Å; R106-T112 VanDerWaalsContact NH1-O 3.17Å; R106-T112 PolarHBondContact NH1-OG1 3.37Å; W107-T112 WeakPolarHBondContact O-CA 3.34Å; I109-T112 WeakPolarHBondContact O-CG2 3.34Å; I109-T112 PolarHBondContact O-N 3.04Å
113	P	96.5	Very high	95.5	Very high	6 Å²	6	28.7 Å²	28.7	4%	0.039	16%	0.164	C	C	.	.			trans	-67.9	155.4	-174.5	33	-39.2	0	0	0	111.9	A52 Y63 L65 R106 W107 I109 G111	A52-P113 HydrophobicContact CB-CG 4.04Å; Y63-P113 HydrophobicContact CD1-CB 3.74Å; Y63-P113 HydrophobicContact CE1-CB 3.62Å; Y63-P113 HydrophobicContact CE1-CG 4.42Å; L65-P113 HydrophobicContact CD1-CB 4Å; L65-P113 HydrophobicContact CD1-CG 3.63Å; R106-P113 WeakPolarHBondContact CA-O 3.38Å; W107-P113 HydrophobicContact CB-CG 4.26Å; W107-P113 PolarHBondContact N-O 2.61Å; I109-P113 HydrophobicContact CD1-CG 4.27Å; I109-P113 HydrophobicContact CG1-CG 4.4Å; G111-P113 VanDerWaalsContact C-CD 3.5Å
114	Y	97.9	Very high	95.3	Very high	16 Å²	16	28 Å²	28	6%	0.063	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	139.6	172.4	-70.2	-61.1	0	0	0	111.2	E61 F64 L65 P84 F104 G105 R106	E61-Y114 HydrophobicContact CB-CE2 4.02Å; E61-Y114 HydrophobicContact CG-CE2 4.18Å; F64-Y114 HydrophobicContact CD1-CD2 4.42Å; F64-Y114 HydrophobicContact CD1-CG 4.3Å; F64-Y114 AromaticContact CE1-CD2 3.97Å; F64-Y114 HydrophobicContact CE1-CD2 3.97Å; F64-Y114 HydrophobicContact CE1-CG 4.13Å; F64-Y114 HydrophobicContact CZ-CD2 4.45Å; L65-Y114 PolarHBondContact N-O 2.82Å; P84-Y114 HydrophobicContact CG-CE1 4.26Å; P84-Y114 HydrophobicContact CG-CE2 3.96Å; F104-Y114 AromaticContact CE1-CD1 3.39Å; F104-Y114 HydrophobicContact CE1-CD1 3.39Å; F104-Y114 AromaticContact CE1-CE1 3.79Å; F104-Y114 HydrophobicContact CE1-CE1 3.79Å; F104-Y114 HydrophobicContact CE1-CG 4.17Å; F104-Y114 HydrophobicContact CE2-CD1 4.41Å; F104-Y114 HydrophobicContact CE2-CG 4.43Å; F104-Y114 AromaticContact CZ-CD1 3.28Å; F104-Y114 HydrophobicContact CZ-CD1 3.28Å; F104-Y114 HydrophobicContact CZ-CD2 4.43Å; F104-Y114 AromaticContact CZ-CE1 3.95Å; F104-Y114 HydrophobicContact CZ-CE1 3.95Å; F104-Y114 AromaticContact CZ-CG 3.56Å; F104-Y114 HydrophobicContact CZ-CG 3.56Å; G105-Y114 CarbonylContact O-C 3.51Å; G105-Y114 WeakPolarHBondContact O-CA 3.48Å; R106-Y114 HydrophobicContact CG-CD1 3.83Å; R106-Y114 HydrophobicContact CG-CE1 3.84Å; R106-Y114 PolarHBondContact NH2-OH 2.78Å
115	V	98	Very high	95.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137.2	175.1	-73.6	0	0	0	0	110.8	V37 T38 L65 V78 F104 G105 W107 L117	V37-V115 HydrophobicContact CG1-CG1 3.92Å; T38-V115 HydrophobicContact CG2-CG1 4.13Å; L65-V115 HydrophobicContact CB-CG1 3.86Å; L65-V115 HydrophobicContact CD1-CG1 4.39Å; L65-V115 CarbonylContact O-C 3.59Å; L65-V115 VanDerWaalsContact O-CA 3.3Å; L65-V115 WeakPolarHBondContact O-CA 3.39Å; V78-V115 HydrophobicContact CG1-CG2 3.77Å; V78-V115 HydrophobicContact CG2-CG2 4.3Å; F104-V115 WeakPolarHBondContact CA-O 3.37Å; G105-V115 PolarHBondContact N-O 3.17Å; G105-V115 WeakPolarHBondContact O-CG2 3.46Å; G105-V115 PolarHBondContact O-N 2.93Å; W107-V115 HydrophobicContact CB-CG1 3.78Å; W107-V115 HydrophobicContact CG-CG1 4.44Å; V115-L117 HydrophobicContact CB-CD2 4.4Å; V115-L117 HydrophobicContact CB-CG 4.4Å
116	L	98	Very high	95	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.7	170.8	-174.5	156.5	0	0	0	108.2	L65 I66 G67 M92 V102 F103 F104 F118 F162	L65-L116 PolarHBondContact O-N 2.9Å; I66-L116 WeakPolarHBondContact CA-O 3.02Å; I66-L116 HydrophobicContact CG1-CB 4.39Å; I66-L116 HydrophobicContact CG2-CD2 4.34Å; G67-L116 PolarHBondContact N-O 3.22Å; M92-L116 HydrophobicContact CG-CD1 3.85Å; M92-L116 HydrophobicContact SD-CD1 3.86Å; M92-L116 HydrophobicContact SD-CG 4.37Å; V102-L116 HydrophobicContact CG1-CD1 4.42Å; V102-L116 HydrophobicContact CG1-CD2 3.57Å; V102-L116 HydrophobicContact CG1-CG 3.8Å; F103-L116 CarbonylContact O-C 3.22Å; F103-L116 WeakPolarHBondContact O-CA 3.16Å; F104-L116 HydrophobicContact CD2-CB 4.5Å; L116-F118 HydrophobicContact CD2-CD1 4.26Å; L116-F118 HydrophobicContact CD2-CD2 4.02Å; L116-F118 HydrophobicContact CD2-CE1 3.76Å; L116-F118 HydrophobicContact CD2-CE2 3.5Å; L116-F118 HydrophobicContact CD2-CG 4.36Å; L116-F118 HydrophobicContact CD2-CZ 3.34Å; L116-F162 HydrophobicContact CD1-CD1 4.46Å; L116-F162 HydrophobicContact CD1-CD2 3.98Å; L116-F162 HydrophobicContact CD1-CE1 4.03Å; L116-F162 HydrophobicContact CD1-CE2 3.48Å; L116-F162 VanDerWaalsContact CD1-CE2 3.48Å; L116-F162 HydrophobicContact CD1-CG 4.44Å; L116-F162 HydrophobicContact CD1-CZ 3.52Å
117	L	98.2	Very high	94.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120	-170.4	-57.2	177.1	0	0	0	111.3	V37 T38 G67 Y69 V74 V78 F103 V115	V37-L117 HydrophobicContact CG1-CD2 4.14Å; T38-L117 HydrophobicContact CG2-CD1 4.33Å; T38-L117 HydrophobicContact CG2-CD2 4.3Å; G67-L117 CarbonylContact O-C 3.53Å; G67-L117 VanDerWaalsContact O-CA 3.26Å; G67-L117 WeakPolarHBondContact O-CA 3.04Å; Y69-L117 HydrophobicContact CD2-CB 4.36Å; V74-L117 HydrophobicContact CG2-CD1 3.44Å; V74-L117 VanDerWaalsContact CG2-CD1 3.44Å; V78-L117 HydrophobicContact CG2-CD1 4.33Å; F103-L117 HydrophobicContact CB-CB 4.37Å; F103-L117 PolarHBondContact N-O 3.34Å; F103-L117 PolarHBondContact O-N 3.08Å; V115-L117 HydrophobicContact CB-CD2 4.4Å; V115-L117 HydrophobicContact CB-CG 4.4Å
118	F	97.9	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.5	180	-72.2	-62.7	0	0	0	111.9	I66 G67 Y69 I95 V102 L116 I120 F155 L158 F162	I66-F118 HydrophobicContact CG2-CD2 3.88Å; I66-F118 HydrophobicContact CG2-CE2 3.59Å; G67-F118 PolarHBondContact O-N 2.96Å; Y69-F118 WeakPolarHBondContact CB-O 3.31Å; Y69-F118 PolarHBondContact N-O 3Å; I95-F118 HydrophobicContact CD1-CE1 4.22Å; V102-F118 HydrophobicContact CB-CD1 4.35Å; V102-F118 HydrophobicContact CB-CE1 4.42Å; V102-F118 HydrophobicContact CG1-CD1 3.88Å; V102-F118 HydrophobicContact CG1-CE1 3.79Å; V102-F118 HydrophobicContact CG2-CD1 3.72Å; V102-F118 HydrophobicContact CG2-CE1 3.72Å; L116-F118 HydrophobicContact CD2-CD1 4.26Å; L116-F118 HydrophobicContact CD2-CD2 4.02Å; L116-F118 HydrophobicContact CD2-CE1 3.76Å; L116-F118 HydrophobicContact CD2-CE2 3.5Å; L116-F118 HydrophobicContact CD2-CG 4.36Å; L116-F118 HydrophobicContact CD2-CZ 3.34Å; F118-I120 PolarHBondContact O-N 3.35Å; F118-I120 VanDerWaalsContact O-N 3.13Å; F118-F155 HydrophobicContact CB-CD2 4.48Å; F118-F155 HydrophobicContact CD2-CD2 4.22Å; F118-F155 HydrophobicContact CD2-CE2 4.02Å; F118-L158 HydrophobicContact CB-CB 4.5Å; F118-L158 HydrophobicContact CB-CD1 3.85Å; F118-L158 HydrophobicContact CD1-CB 3.85Å; F118-L158 HydrophobicContact CD1-CD1 4.12Å; F118-L158 HydrophobicContact CD1-CG 4.42Å; F118-L158 HydrophobicContact CD2-CB 4.14Å; F118-L158 HydrophobicContact CE1-CB 4.07Å; F118-L158 HydrophobicContact CE2-CB 4.32Å; F118-L158 HydrophobicContact CG-CB 3.91Å; F118-L158 HydrophobicContact CG-CD1 4.09Å; F118-L158 HydrophobicContact CZ-CB 4.3Å; F118-F162 HydrophobicContact CE1-CB 4.42Å; F118-F162 HydrophobicContact CZ-CB 3.67Å; F118-F162 HydrophobicContact CZ-CG 4.14Å
119	D	96.4	Very high	94.8	Very high	42 Å²	42	42.6 Å²	42.6	23%	0.225	23%	0.23	C	C	.	.			trans	-80.1	95.7	169.2	-179.9	8.1	0	0	0	110.5	Y69 Q101 F103 G121 S122	Y69-D119 HydrophobicContact CD1-CB 4.2Å; Y69-D119 HydrophobicContact CG-CB 4.48Å; Q101-D119 HydrophobicContact CB-CB 3.89Å; Q101-D119 PolarHBondContact O-N 3.34Å; F103-D119 HydrophobicContact CE2-CB 4.22Å; D119-G121 PolarHBondContact O-N 3.35Å; D119-G121 WeakPolarHBondContact OD1-CA 3.45Å; D119-G121 PolarHBondContact OD1-N 3.4Å; D119-S122 PolarHBondContact O-N 2.93Å; D119-S122 PolarHBondContact O-OG 3.06Å; D119-S122 PolarHBondContact OD1-N 3.4Å; D119-S122 WeakPolarHBondContact OD2-CB 3.44Å
120	I	94.6	Very high	95	Very high	17 Å²	17	42.2 Å²	42.2	9%	0.087	23%	0.228	C	C	.	.	H	α-helix	trans	-56.7	-35.2	177	-62.9	177	0	0	0	111.1	W35 P68 F118 S122 A123 A124 D151 I154 F155	W35-I120 HydrophobicContact CH2-CD1 3.46Å; W35-I120 VanDerWaalsContact CH2-CD1 3.46Å; W35-I120 HydrophobicContact CZ3-CD1 3.58Å; P68-I120 HydrophobicContact CB-CD1 3.72Å; P68-I120 HydrophobicContact CB-CG1 4.43Å; F118-I120 PolarHBondContact O-N 3.35Å; F118-I120 VanDerWaalsContact O-N 3.13Å; I120-S122 PolarHBondContact O-N 3.32Å; I120-A123 PolarHBondContact O-N 3Å; I120-A124 PolarHBondContact O-N 3.06Å; I120-A124 VanDerWaalsContact O-N 3.14Å; I120-D151 HydrophobicContact CD1-CB 4.48Å; I120-D151 HydrophobicContact CG2-CB 4.26Å; I120-I154 HydrophobicContact CB-CG2 4.12Å; I120-I154 HydrophobicContact CG1-CG2 4.32Å; I120-I154 HydrophobicContact CG2-CB 3.9Å; I120-I154 HydrophobicContact CG2-CD1 3.87Å; I120-I154 HydrophobicContact CG2-CG2 3.61Å; I120-F155 HydrophobicContact CD1-CB 3.94Å; I120-F155 HydrophobicContact CG1-CB 4.37Å
121	G	93.6	Very high	95.4	Very high	56 Å²	56	39.4 Å²	39.4	58%	0.577	21%	0.214	S	C	*	.	H	α-helix	trans	-63.7	-41.6	-179.9	0	0	0	0	0	112.1	D119 A123 A124	D119-G121 PolarHBondContact O-N 3.35Å; D119-G121 WeakPolarHBondContact OD1-CA 3.45Å; D119-G121 PolarHBondContact OD1-N 3.4Å; G121-A123 PolarHBondContact O-N 2.99Å; G121-A124 WeakPolarHBondContact O-CB 3.23Å; G121-A124 PolarHBondContact O-N 3.3Å
122	S	92.5	Very high	95.7	Very high	27 Å²	27	39.7 Å²	39.7	19%	0.189	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-24.9	176.8	75.2	0	0	0	0	113.9	Q101 D119 I120 W125	Q101-S122 PolarHBondContact N-OG 2.96Å; D119-S122 PolarHBondContact O-N 2.93Å; D119-S122 PolarHBondContact O-OG 3.06Å; D119-S122 PolarHBondContact OD1-N 3.4Å; D119-S122 WeakPolarHBondContact OD2-CB 3.44Å; I120-S122 PolarHBondContact O-N 3.32Å; S122-W125 PolarHBondContact O-NE1 3.35Å
123	A	93.7	Very high	95.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-102.2	-1.8	-176.2	0	0	0	0	0	113.8	I120 G121 W125 N126 W130 I154 L158	I120-A123 PolarHBondContact O-N 3Å; G121-A123 PolarHBondContact O-N 2.99Å; A123-W125 PolarHBondContact O-N 3.47Å; A123-W125 VanDerWaalsContact O-N 3.14Å; A123-N126 PolarHBondContact O-N 3.13Å; A123-N126 VanDerWaalsContact O-N 3.07Å; A123-W130 HydrophobicContact CB-CH2 3.92Å; A123-W130 HydrophobicContact CB-CZ3 3.91Å; A123-I154 HydrophobicContact CB-CG2 3.86Å; A123-L158 HydrophobicContact CB-CD1 3.79Å; A123-L158 HydrophobicContact CB-CD2 4.15Å; A123-L158 HydrophobicContact CB-CG 4.29Å
124	A	93.1	Very high	95.7	Very high	49 Å²	49	39.4 Å²	39.4	41%	0.405	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-61.5	-25.3	-174.2	0	0	0	0	0	114	I120 G121 N126 L127 I154	I120-A124 PolarHBondContact O-N 3.06Å; I120-A124 VanDerWaalsContact O-N 3.14Å; G121-A124 WeakPolarHBondContact O-CB 3.23Å; G121-A124 PolarHBondContact O-N 3.3Å; A124-N126 PolarHBondContact O-N 3.35Å; A124-L127 VanDerWaalsContact O-CB 3.27Å; A124-L127 WeakPolarHBondContact O-CB 3.36Å; A124-L127 PolarHBondContact O-N 3.05Å; A124-I154 HydrophobicContact CB-CD1 4.31Å
125	W	94.1	Very high	95.6	Very high	171 Å²	171	44.7 Å²	44.7	65%	0.648	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-61.1	-22.7	176.3	65.6	-93.2	0	0	0	113.2	S122 A123	S122-W125 PolarHBondContact O-NE1 3.35Å; A123-W125 PolarHBondContact O-N 3.47Å; A123-W125 VanDerWaalsContact O-N 3.14Å
126	N	93.6	Very high	95.5	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.064	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-97	4.3	-177.7	-156.1	28.6	0	0	0	113.2	A123 A124 D128 R129 W130	A123-N126 PolarHBondContact O-N 3.13Å; A123-N126 VanDerWaalsContact O-N 3.07Å; A124-N126 PolarHBondContact O-N 3.35Å; N126-D128 PolarHBondContact O-N 3.23Å; N126-R129 PolarHBondContact O-N 3.37Å; N126-R129 WeakPolarHBondContact OD1-CB 3.46Å; N126-R129 WeakPolarHBondContact OD1-CD 3.34Å; N126-W130 HydrophobicContact CB-CD2 4.28Å; N126-W130 HydrophobicContact CB-CE3 4.09Å; N126-W130 HydrophobicContact CB-CH2 4.18Å; N126-W130 HydrophobicContact CB-CZ2 4.36Å; N126-W130 HydrophobicContact CB-CZ3 4.02Å; N126-W130 VanDerWaalsContact ND2-CZ2 3.27Å; N126-W130 WeakPolarHBondContact ND2-CZ2 3.49Å; N126-W130 PolarHBondContact ND2-NE1 2.99Å; N126-W130 PolarHBondContact O-N 3.31Å; N126-W130 VanDerWaalsContact O-N 3.09Å
127	L	95.3	Very high	95.4	Very high	24 Å²	24	53.6 Å²	53.6	13%	0.126	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-46.7	-174.1	174.7	63.1	0	0	0	112.9	A124 R129 W130 K131 N150 V153 I154	A124-L127 VanDerWaalsContact O-CB 3.27Å; A124-L127 WeakPolarHBondContact O-CB 3.36Å; A124-L127 PolarHBondContact O-N 3.05Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 2.81Å; L127-W130 PolarHBondContact O-N 2.94Å; L127-K131 HydrophobicContact CD1-CD 4.38Å; L127-K131 HydrophobicContact CD1-CG 4.09Å; L127-K131 HydrophobicContact CG-CD 4.33Å; L127-K131 HydrophobicContact CG-CG 4.42Å; L127-K131 WeakPolarHBondContact O-CG 3.32Å; L127-K131 PolarHBondContact O-N 3Å; L127-N150 HydrophobicContact CD1-CB 4.18Å; L127-N150 HydrophobicContact CD2-CB 3.97Å; L127-V153 HydrophobicContact CD1-CG1 4.5Å; L127-I154 HydrophobicContact CB-CD1 4.26Å; L127-I154 HydrophobicContact CB-CG1 4.34Å; L127-I154 HydrophobicContact CD1-CD1 4.01Å; L127-I154 HydrophobicContact CD1-CG1 3.8Å; L127-I154 HydrophobicContact CG-CD1 4.49Å
128	D	95.5	Very high	95.2	Very high	122 Å²	122	54.9 Å²	54.9	65%	0.652	29%	0.289	S	S	*	.	H	α-helix	trans	-63.5	-37.8	-176.5	-70.4	-28.3	0	0	0	112	N126 K131 G132	N126-D128 PolarHBondContact O-N 3.23Å; D128-K131 PolarHBondContact O-N 3.49Å; D128-G132 PolarHBondContact O-N 2.55Å; D128-G132 VanDerWaalsContact O-N 3.1Å
129	R	96.3	Very high	95.1	Very high	152 Å²	152	60.3 Å²	60.3	57%	0.574	32%	0.318	S	S	*	.	H	α-helix	trans	-63.8	-48.9	173.8	178.2	-177.3	164	-169.3	-7	110.9	N126 L127 K131 G132 E133	N126-R129 PolarHBondContact O-N 3.37Å; N126-R129 WeakPolarHBondContact OD1-CB 3.46Å; N126-R129 WeakPolarHBondContact OD1-CD 3.34Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 2.81Å; R129-K131 VanDerWaalsContact C-N 3.3Å; R129-K131 PolarHBondContact O-N 3.1Å; R129-G132 WeakPolarHBondContact O-CA 3.44Å; R129-G132 PolarHBondContact O-N 2.95Å; R129-G132 VanDerWaalsContact O-N 3.08Å; R129-E133 IonicContact CZ-OE1 3.24Å; R129-E133 VanDerWaalsContact CZ-OE1 3.27Å; R129-E133 IonicContact NE-OE1 2.81Å; R129-E133 PolarHBondContact NE-OE1 3.38Å; R129-E133 IonicContact NH2-OE1 3.58Å; R129-E133 PolarHBondContact NH2-OE1 2.95Å; R129-E133 PolarHBondContact O-N 3.31Å
130	W	96.1	Very high	95.1	Very high	13 Å²	13	59 Å²	59	5%	0.049	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-30.2	179.9	-73.5	-34.3	0	0	0	113.5	A123 N126 L127 F134 V153 I154 S157 L158 W161	A123-W130 HydrophobicContact CB-CH2 3.92Å; A123-W130 HydrophobicContact CB-CZ3 3.91Å; N126-W130 HydrophobicContact CB-CD2 4.28Å; N126-W130 HydrophobicContact CB-CE3 4.09Å; N126-W130 HydrophobicContact CB-CH2 4.18Å; N126-W130 HydrophobicContact CB-CZ2 4.36Å; N126-W130 HydrophobicContact CB-CZ3 4.02Å; N126-W130 VanDerWaalsContact ND2-CZ2 3.27Å; N126-W130 WeakPolarHBondContact ND2-CZ2 3.49Å; N126-W130 PolarHBondContact ND2-NE1 2.99Å; N126-W130 PolarHBondContact O-N 3.31Å; N126-W130 VanDerWaalsContact O-N 3.09Å; L127-W130 PolarHBondContact O-N 2.94Å; W130-F134 WeakPolarHBondContact O-CB 3.35Å; W130-F134 PolarHBondContact O-N 3.37Å; W130-V153 HydrophobicContact CB-CG1 3.99Å; W130-I154 HydrophobicContact CE3-CB 4.42Å; W130-I154 HydrophobicContact CE3-CG1 4.13Å; W130-I154 HydrophobicContact CZ3-CB 4.25Å; W130-I154 HydrophobicContact CZ3-CG1 4.21Å; W130-I154 HydrophobicContact CZ3-CG2 3.85Å; W130-S157 VanDerWaalsContact CD2-CB 3.4Å; W130-S157 VanDerWaalsContact CE2-CB 3.49Å; W130-L158 HydrophobicContact CH2-CD2 3.74Å; W130-L158 HydrophobicContact CH2-CG 3.9Å; W130-L158 HydrophobicContact CZ2-CD2 4.33Å; W130-L158 HydrophobicContact CZ3-CG 4.46Å; W130-W161 HydrophobicContact CZ2-CE3 4.24Å; W130-W161 HydrophobicContact CZ2-CZ3 4.38Å
131	K	96.6	Very high	95.1	Very high	30 Å²	30	60.1 Å²	60.1	13%	0.13	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-42.4	168.5	-75.2	-175.9	-179.9	-168.5	0	111.9	L127 D128 R129 F134 W135 I142 N150	L127-K131 HydrophobicContact CD1-CD 4.38Å; L127-K131 HydrophobicContact CD1-CG 4.09Å; L127-K131 HydrophobicContact CG-CD 4.33Å; L127-K131 HydrophobicContact CG-CG 4.42Å; L127-K131 WeakPolarHBondContact O-CG 3.32Å; L127-K131 PolarHBondContact O-N 3Å; D128-K131 PolarHBondContact O-N 3.49Å; R129-K131 VanDerWaalsContact C-N 3.3Å; R129-K131 PolarHBondContact O-N 3.1Å; K131-F134 PolarHBondContact O-N 2.76Å; K131-W135 VanDerWaalsContact O-CB 3.31Å; K131-W135 WeakPolarHBondContact O-CB 3.23Å; K131-W135 PolarHBondContact O-N 3.18Å; K131-I142 HydrophobicContact CD-CB 4.37Å; K131-I142 HydrophobicContact CG-CB 4.41Å; K131-I142 PolarHBondContact NZ-O 3.06Å; K131-N150 WeakPolarHBondContact CE-OD1 3.46Å; K131-N150 PolarHBondContact NZ-OD1 2.76Å
132	G	96.7	Very high	95.2	Very high	32 Å²	32	58.4 Å²	58.4	33%	0.33	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-52.1	173.6	0	0	0	0	0	111.9	D128 R129 F134 W135 D136	D128-G132 PolarHBondContact O-N 2.55Å; D128-G132 VanDerWaalsContact O-N 3.1Å; R129-G132 WeakPolarHBondContact O-CA 3.44Å; R129-G132 PolarHBondContact O-N 2.95Å; R129-G132 VanDerWaalsContact O-N 3.08Å; G132-F134 VanDerWaalsContact C-N 3.31Å; G132-F134 PolarHBondContact O-N 2.87Å; G132-W135 WeakPolarHBondContact O-CB 3.49Å; G132-W135 PolarHBondContact O-N 3.14Å; G132-W135 VanDerWaalsContact O-N 3.17Å; G132-D136 VanDerWaalsContact O-CG 3.23Å; G132-D136 PolarHBondContact O-N 2.85Å
133	E	94.8	Very high	95.3	Very high	63 Å²	63	58.9 Å²	58.9	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-41	177.8	-69.1	179.5	-177.7	0	0	112	R129 D136 V137	R129-E133 IonicContact CZ-OE1 3.24Å; R129-E133 VanDerWaalsContact CZ-OE1 3.27Å; R129-E133 IonicContact NE-OE1 2.81Å; R129-E133 PolarHBondContact NE-OE1 3.38Å; R129-E133 IonicContact NH2-OE1 3.58Å; R129-E133 PolarHBondContact NH2-OE1 2.95Å; R129-E133 PolarHBondContact O-N 3.31Å; E133-D136 PolarHBondContact O-N 2.89Å; E133-V137 WeakPolarHBondContact O-CG2 3.29Å; E133-V137 PolarHBondContact O-N 3.16Å
134	F	96.6	Very high	95.2	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-67.2	-40.1	177.2	-171.5	-113.5	0	0	0	112	W130 K131 G132 V137 S138 I140 I142 V187 I190 L191 M245	W130-F134 WeakPolarHBondContact O-CB 3.35Å; W130-F134 PolarHBondContact O-N 3.37Å; K131-F134 PolarHBondContact O-N 2.76Å; G132-F134 VanDerWaalsContact C-N 3.31Å; G132-F134 PolarHBondContact O-N 2.87Å; F134-V137 PolarHBondContact O-N 3.29Å; F134-S138 WeakPolarHBondContact O-CB 3.21Å; F134-S138 PolarHBondContact O-N 3.31Å; F134-S138 PolarHBondContact O-OG 2.73Å; F134-I140 HydrophobicContact CD1-CB 4.37Å; F134-I140 HydrophobicContact CE1-CB 3.74Å; F134-I140 HydrophobicContact CE1-CD1 4.29Å; F134-I140 HydrophobicContact CE1-CG2 3.95Å; F134-I140 HydrophobicContact CZ-CB 4.43Å; F134-I140 HydrophobicContact CZ-CD1 4.14Å; F134-I142 HydrophobicContact CD1-CD1 4.4Å; F134-I142 HydrophobicContact CD1-CG1 4.25Å; F134-I142 HydrophobicContact CE1-CD1 4.14Å; F134-I142 HydrophobicContact CE1-CG1 4.5Å; F134-V187 HydrophobicContact CD2-CG1 3.9Å; F134-V187 HydrophobicContact CE2-CB 4.47Å; F134-V187 HydrophobicContact CE2-CG1 3.79Å; F134-V187 HydrophobicContact CE2-CG2 4.37Å; F134-V187 HydrophobicContact CZ-CG1 4.47Å; F134-V187 HydrophobicContact CZ-CG2 4.29Å; F134-I190 HydrophobicContact CE2-CB 4.26Å; F134-I190 HydrophobicContact CE2-CD1 3.96Å; F134-I190 HydrophobicContact CE2-CG2 3.99Å; F134-I190 HydrophobicContact CZ-CD1 4.01Å; F134-L191 HydrophobicContact CD2-CD2 4.13Å; F134-L191 HydrophobicContact CD2-CG 4.39Å; F134-M245 HydrophobicContact CE1-CG 4.21Å; F134-M245 HydrophobicContact CZ-CG 4.21Å
135	W	97	Very high	95.2	Very high	127 Å²	127	71.9 Å²	71.9	48%	0.481	36%	0.356	S	S	.	.	H	α-helix	trans	-62.5	-47.4	174.1	173.5	-92.7	0	0	0	111.8	K131 G132 V137 S138 N139 I140	K131-W135 VanDerWaalsContact O-CB 3.31Å; K131-W135 WeakPolarHBondContact O-CB 3.23Å; K131-W135 PolarHBondContact O-N 3.18Å; G132-W135 WeakPolarHBondContact O-CB 3.49Å; G132-W135 PolarHBondContact O-N 3.14Å; G132-W135 VanDerWaalsContact O-N 3.17Å; W135-V137 PolarHBondContact O-N 2.82Å; W135-S138 PolarHBondContact O-N 3.09Å; W135-N139 WeakPolarHBondContact CZ3-O 3.48Å; W135-N139 VanDerWaalsContact O-CA 3.24Å; W135-N139 WeakPolarHBondContact O-CA 3.31Å; W135-N139 PolarHBondContact O-N 3.31Å; W135-I140 VanDerWaalsContact CE3-C 3.46Å
136	D	95.8	Very high	95.2	Very high	125 Å²	125	64.5 Å²	64.5	67%	0.668	33%	0.329	S	S	*	.	H	α-helix	trans	-60.3	-32.4	-178.1	-68.5	-20.2	0	0	0	112.3	G132 E133	G132-D136 VanDerWaalsContact O-CG 3.23Å; G132-D136 PolarHBondContact O-N 2.85Å; E133-D136 PolarHBondContact O-N 2.89Å
137	V	94.6	Very high	95.3	Very high	62 Å²	62	72.9 Å²	72.9	38%	0.376	36%	0.36	S	S	.	.	H	α-helix	trans	-84.4	-41.6	-179.9	165.7	0	0	0	0	112.9	E133 F134 W135 I190 S194	E133-V137 WeakPolarHBondContact O-CG2 3.29Å; E133-V137 PolarHBondContact O-N 3.16Å; F134-V137 PolarHBondContact O-N 3.29Å; W135-V137 PolarHBondContact O-N 2.82Å; V137-I190 HydrophobicContact CG1-CG2 4.47Å; V137-S194 WeakPolarHBondContact CG1-OG 3.24Å; V137-S194 WeakPolarHBondContact CG2-OG 3.23Å
138	S	94.2	Very high	95.3	Very high	28 Å²	28	74.8 Å²	74.8	20%	0.196	37%	0.368	C	S	.	.	H	α-helix	trans	-115.5	-15.9	-166	70.3	0	0	0	0	114.7	F134 W135 I140	F134-S138 WeakPolarHBondContact O-CB 3.21Å; F134-S138 PolarHBondContact O-N 3.31Å; F134-S138 PolarHBondContact O-OG 2.73Å; W135-S138 PolarHBondContact O-N 3.09Å; S138-I140 PolarHBondContact O-N 3.28Å; S138-I140 WeakPolarHBondContact OG-CB 3.32Å; S138-I140 WeakPolarHBondContact OG-CG1 3.43Å; S138-I140 PolarHBondContact OG-N 3.1Å
139	N	95.6	Very high	95.3	Very high	115 Å²	115	69 Å²	69	62%	0.615	34%	0.337	S	S	*	.			trans	55.9	27.7	-166.8	-56.8	-70.9	0	0	0	113.7	W135	W135-N139 WeakPolarHBondContact CZ3-O 3.48Å; W135-N139 VanDerWaalsContact O-CA 3.24Å; W135-N139 WeakPolarHBondContact O-CA 3.31Å; W135-N139 PolarHBondContact O-N 3.31Å
140	I	96.1	Very high	95.4	Very high	15 Å²	15	62.3 Å²	62.3	8%	0.077	31%	0.313	C	S	.	.			trans	-101.2	115.1	177.7	-57.1	171.6	0	0	0	109.5	F134 W135 S138 I142 C244 M245 A248	F134-I140 HydrophobicContact CD1-CB 4.37Å; F134-I140 HydrophobicContact CE1-CB 3.74Å; F134-I140 HydrophobicContact CE1-CD1 4.29Å; F134-I140 HydrophobicContact CE1-CG2 3.95Å; F134-I140 HydrophobicContact CZ-CB 4.43Å; F134-I140 HydrophobicContact CZ-CD1 4.14Å; W135-I140 VanDerWaalsContact CE3-C 3.46Å; S138-I140 PolarHBondContact O-N 3.28Å; S138-I140 WeakPolarHBondContact OG-CB 3.32Å; S138-I140 WeakPolarHBondContact OG-CG1 3.43Å; S138-I140 PolarHBondContact OG-N 3.1Å; I140-I142 HydrophobicContact CG2-CD1 4.18Å; I140-C244 HydrophobicContact CD1-CB 3.88Å; I140-C244 WeakPolarHBondContact CD1-O 3.26Å; I140-C244 HydrophobicContact CG1-CB 3.91Å; I140-C244 HydrophobicContact CG2-CB 3.92Å; I140-M245 HydrophobicContact CG2-CG 4.2Å; I140-A248 HydrophobicContact CD1-CB 3.79Å
141	G	94.9	Very high	95.4	Very high	39 Å²	39	63.4 Å²	63.4	40%	0.402	32%	0.32	S	S	.	.			trans	-85.4	134.4	178.6	0	0	0	0	0	111.5	H241	G141-H241 WeakPolarHBondContact O-CB 3.25Å
142	I	96.5	Very high	95.5	Very high	21 Å²	21	62 Å²	62	11%	0.108	31%	0.314	C	S	.	.			trans	-107.6	112.5	179.3	-53.6	-60	0	0	0	110.5	K131 F134 I140 A149 N150 V153 M245	K131-I142 HydrophobicContact CD-CB 4.37Å; K131-I142 HydrophobicContact CG-CB 4.41Å; K131-I142 PolarHBondContact NZ-O 3.06Å; F134-I142 HydrophobicContact CD1-CD1 4.4Å; F134-I142 HydrophobicContact CD1-CG1 4.25Å; F134-I142 HydrophobicContact CE1-CD1 4.14Å; F134-I142 HydrophobicContact CE1-CG1 4.5Å; I140-I142 HydrophobicContact CG2-CD1 4.18Å; I142-A149 HydrophobicContact CG2-CB 3.78Å; I142-N150 WeakPolarHBondContact CG2-OD1 3.29Å; I142-V153 HydrophobicContact CD1-CG2 4.25Å; I142-V153 HydrophobicContact CG1-CG2 3.82Å; I142-M245 HydrophobicContact CD1-CE 4.42Å; I142-M245 HydrophobicContact CD1-CG 4.29Å; I142-M245 HydrophobicContact CD1-SD 3.64Å
143	P	94.8	Very high	95.5	Very high	37 Å²	37	60.5 Å²	60.5	24%	0.24	30%	0.298	C	S	.	.			trans	-59	140.6	179.2	-23.2	33.6	0	0	0	112.7	H145 D146 N150	P143-H145 VanDerWaalsContact C-N 3.32Å; P143-H145 VanDerWaalsContact CB-CE1 3.47Å; P143-H145 WeakPolarHBondContact CB-CE1 3.46Å; P143-H145 PolarHBondContact O-N 2.98Å; P143-D146 HydrophobicContact CB-CB 4.47Å; P143-D146 PolarHBondContact O-N 3.33Å; P143-N150 PolarHBondContact O-OD1 2.81Å
144	F	90.8	Very high	95.6	Very high	170 Å²	170	57.6 Å²	57.6	75%	0.746	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-38.8	-179.6	176.5	-97.1	0	0	0	113.2	D146 N150	F144-D146 VanDerWaalsContact C-N 3.31Å; F144-D146 PolarHBondContact O-N 3.46Å; F144-N150 PolarHBondContact O-ND2 3.12Å
145	H	93.3	Very high	95.7	Very high	152 Å²	152	57.6 Å²	57.6	70%	0.704	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.2	-176.1	62.7	-90.8	0	0	0	113.8	P143 R147	P143-H145 VanDerWaalsContact C-N 3.32Å; P143-H145 VanDerWaalsContact CB-CE1 3.47Å; P143-H145 WeakPolarHBondContact CB-CE1 3.46Å; P143-H145 PolarHBondContact O-N 2.98Å; H145-R147 PolarHBondContact O-N 3.14Å; H145-R147 VanDerWaalsContact O-N 3.13Å
146	D	94.9	Very high	95.7	Very high	16 Å²	16	51.5 Å²	51.5	9%	0.086	26%	0.262	C	S	.	.			trans	-84.5	90.3	178.9	-169.3	-17.2	0	0	0	110.8	P143 F144 E148 A149 N150 H241 R242	P143-D146 HydrophobicContact CB-CB 4.47Å; P143-D146 PolarHBondContact O-N 3.33Å; F144-D146 VanDerWaalsContact C-N 3.31Å; F144-D146 PolarHBondContact O-N 3.46Å; D146-E148 VanDerWaalsContact C-N 3.3Å; D146-E148 PolarHBondContact O-N 3.13Å; D146-E148 PolarHBondContact OD1-N 3.26Å; D146-E148 VanDerWaalsContact OD1-N 3.07Å; D146-A149 HydrophobicContact CB-CB 4.12Å; D146-A149 PolarHBondContact O-N 3.08Å; D146-A149 PolarHBondContact OD1-N 3.38Å; D146-A149 VanDerWaalsContact OD1-N 3.16Å; D146-N150 PolarHBondContact O-N 3.46Å; D146-N150 PolarHBondContact O-ND2 2.9Å; D146-H241 IonicContact OD2-CD2 2.65Å; D146-H241 IonicContact OD2-CE1 2.68Å; D146-H241 IonicContact OD2-NE2 2.64Å; D146-H241 PolarHBondContact OD2-NE2 3.43Å; D146-R242 VanDerWaalsContact CG-NH2 3.28Å; D146-R242 IonicContact OD1-CZ 3.62Å; D146-R242 IonicContact OD1-NE 3.2Å; D146-R242 IonicContact OD1-NH2 2.78Å; D146-R242 PolarHBondContact OD1-NH2 3.26Å; D146-R242 IonicContact OD2-CZ 3.76Å; D146-R242 VanDerWaalsContact OD2-CZ 3.3Å; D146-R242 IonicContact OD2-NE 3.99Å; D146-R242 PolarHBondContact OD2-NE 3.03Å; D146-R242 IonicContact OD2-NH2 3.87Å; D146-R242 PolarHBondContact OD2-NH2 2.96Å
147	R	94.9	Very high	95.8	Very high	187 Å²	187	45.9 Å²	45.9	71%	0.706	23%	0.232	S	C	*	.	H	α-helix	trans	-59	-38.2	178.7	-176.6	175.5	174.8	168.1	1.9	113.1	H145 N150 D151	H145-R147 PolarHBondContact O-N 3.14Å; H145-R147 VanDerWaalsContact O-N 3.13Å; R147-N150 WeakPolarHBondContact O-CB 3.37Å; R147-N150 PolarHBondContact O-N 3.16Å; R147-D151 WeakPolarHBondContact CG-OD2 3.36Å; R147-D151 IonicContact NE-OD2 3.73Å; R147-D151 WeakPolarHBondContact O-CB 3.43Å; R147-D151 PolarHBondContact O-N 2.83Å
148	E	95.3	Very high	96	Very high	65 Å²	65	42.9 Å²	42.9	30%	0.304	21%	0.214	S	C	.	.	H	α-helix	trans	-67.9	-43.2	-176.8	-170.2	-179.1	-179.8	0	0	111	D146 D151 A152 W183 Q184 R242	D146-E148 VanDerWaalsContact C-N 3.3Å; D146-E148 PolarHBondContact O-N 3.13Å; D146-E148 PolarHBondContact OD1-N 3.26Å; D146-E148 VanDerWaalsContact OD1-N 3.07Å; E148-D151 PolarHBondContact O-N 3.41Å; E148-A152 WeakPolarHBondContact O-CB 3.16Å; E148-A152 PolarHBondContact O-N 2.99Å; E148-W183 HydrophobicContact CG-CH2 3.91Å; E148-W183 HydrophobicContact CG-CZ2 4.23Å; E148-W183 WeakPolarHBondContact OE1-CZ2 3.41Å; E148-Q184 PolarHBondContact OE1-NE2 3.31Å; E148-R242 IonicContact OE2-CZ 3.11Å; E148-R242 IonicContact OE2-NH1 3.96Å; E148-R242 PolarHBondContact OE2-NH1 3.2Å; E148-R242 IonicContact OE2-NH2 3.79Å; E148-R242 PolarHBondContact OE2-NH2 2.83Å
149	A	96.4	Very high	96.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-38.8	175	0	0	0	0	0	111.7	I142 D146 A152 V153 M245	I142-A149 HydrophobicContact CG2-CB 3.78Å; D146-A149 HydrophobicContact CB-CB 4.12Å; D146-A149 PolarHBondContact O-N 3.08Å; D146-A149 PolarHBondContact OD1-N 3.38Å; D146-A149 VanDerWaalsContact OD1-N 3.16Å; A149-A152 PolarHBondContact O-N 2.93Å; A149-V153 WeakPolarHBondContact O-CG2 3.38Å; A149-V153 PolarHBondContact O-N 3.31Å; A149-M245 HydrophobicContact CB-SD 4.36Å
150	N	97.1	Very high	96.2	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.064	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-47.5	174.4	-66.7	-31.8	0	0	0	112.1	L127 K131 I142 P143 F144 D146 R147 A152 V153 I154	L127-N150 HydrophobicContact CD1-CB 4.18Å; L127-N150 HydrophobicContact CD2-CB 3.97Å; K131-N150 WeakPolarHBondContact CE-OD1 3.46Å; K131-N150 PolarHBondContact NZ-OD1 2.76Å; I142-N150 WeakPolarHBondContact CG2-OD1 3.29Å; P143-N150 PolarHBondContact O-OD1 2.81Å; F144-N150 PolarHBondContact O-ND2 3.12Å; D146-N150 PolarHBondContact O-N 3.46Å; D146-N150 PolarHBondContact O-ND2 2.9Å; R147-N150 WeakPolarHBondContact O-CB 3.37Å; R147-N150 PolarHBondContact O-N 3.16Å; N150-A152 VanDerWaalsContact C-N 3.32Å; N150-A152 PolarHBondContact O-N 2.82Å; N150-V153 PolarHBondContact O-N 3.43Å; N150-I154 PolarHBondContact O-N 3.47Å; N150-I154 VanDerWaalsContact O-N 3.1Å
151	D	97.1	Very high	96.3	Very high	36 Å²	36	38.2 Å²	38.2	19%	0.193	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-36.7	-179	-65.1	-17	0	0	0	110.6	W35 I120 R147 E148 V153 I154 F155	W35-D151 HydrophobicContact CH2-CB 3.68Å; W35-D151 HydrophobicContact CZ3-CB 4.32Å; I120-D151 HydrophobicContact CD1-CB 4.48Å; I120-D151 HydrophobicContact CG2-CB 4.26Å; R147-D151 WeakPolarHBondContact CG-OD2 3.36Å; R147-D151 IonicContact NE-OD2 3.73Å; R147-D151 WeakPolarHBondContact O-CB 3.43Å; R147-D151 PolarHBondContact O-N 2.83Å; E148-D151 PolarHBondContact O-N 3.41Å; D151-V153 PolarHBondContact O-N 3.39Å; D151-I154 PolarHBondContact O-N 3.25Å; D151-F155 VanDerWaalsContact O-CB 3.32Å; D151-F155 WeakPolarHBondContact O-CB 3.35Å; D151-F155 PolarHBondContact O-N 3.43Å
152	A	97.3	Very high	96.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-37.8	172.3	0	0	0	0	0	112.7	E148 A149 N150 G156 W183 M245	E148-A152 WeakPolarHBondContact O-CB 3.16Å; E148-A152 PolarHBondContact O-N 2.99Å; A149-A152 PolarHBondContact O-N 2.93Å; N150-A152 VanDerWaalsContact C-N 3.32Å; N150-A152 PolarHBondContact O-N 2.82Å; A152-G156 PolarHBondContact O-N 3.18Å; A152-W183 HydrophobicContact CB-CZ3 4.41Å; A152-M245 HydrophobicContact CB-CE 3.99Å
153	V	97.8	Very high	96.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-44.7	174.6	172.4	0	0	0	0	111.7	L127 W130 I142 A149 N150 D151 S157 V187 M245	L127-V153 HydrophobicContact CD1-CG1 4.5Å; W130-V153 HydrophobicContact CB-CG1 3.99Å; I142-V153 HydrophobicContact CD1-CG2 4.25Å; I142-V153 HydrophobicContact CG1-CG2 3.82Å; A149-V153 WeakPolarHBondContact O-CG2 3.38Å; A149-V153 PolarHBondContact O-N 3.31Å; N150-V153 PolarHBondContact O-N 3.43Å; D151-V153 PolarHBondContact O-N 3.39Å; V153-S157 VanDerWaalsContact O-CB 3.25Å; V153-S157 WeakPolarHBondContact O-CB 3.28Å; V153-S157 PolarHBondContact O-N 3.09Å; V153-S157 PolarHBondContact O-OG 3.36Å; V153-V187 HydrophobicContact CG2-CG2 4.45Å; V153-M245 HydrophobicContact CG2-CE 4.41Å
154	I	97.7	Very high	96.4	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-50.1	176.5	-68.3	160.3	0	0	0	110.2	I120 A123 A124 L127 W130 N150 D151 G156 S157 L158	I120-I154 HydrophobicContact CB-CG2 4.12Å; I120-I154 HydrophobicContact CG1-CG2 4.32Å; I120-I154 HydrophobicContact CG2-CB 3.9Å; I120-I154 HydrophobicContact CG2-CD1 3.87Å; I120-I154 HydrophobicContact CG2-CG2 3.61Å; A123-I154 HydrophobicContact CB-CG2 3.86Å; A124-I154 HydrophobicContact CB-CD1 4.31Å; L127-I154 HydrophobicContact CB-CD1 4.26Å; L127-I154 HydrophobicContact CB-CG1 4.34Å; L127-I154 HydrophobicContact CD1-CD1 4.01Å; L127-I154 HydrophobicContact CD1-CG1 3.8Å; L127-I154 HydrophobicContact CG-CD1 4.49Å; W130-I154 HydrophobicContact CE3-CB 4.42Å; W130-I154 HydrophobicContact CE3-CG1 4.13Å; W130-I154 HydrophobicContact CZ3-CB 4.25Å; W130-I154 HydrophobicContact CZ3-CG1 4.21Å; W130-I154 HydrophobicContact CZ3-CG2 3.85Å; N150-I154 PolarHBondContact O-N 3.47Å; N150-I154 VanDerWaalsContact O-N 3.1Å; D151-I154 PolarHBondContact O-N 3.25Å; I154-G156 PolarHBondContact O-N 3.19Å; I154-S157 PolarHBondContact O-N 2.82Å; I154-L158 HydrophobicContact CG2-CD1 3.93Å; I154-L158 HydrophobicContact CG2-CG 4.49Å; I154-L158 WeakPolarHBondContact O-CG 3.36Å; I154-L158 PolarHBondContact O-N 2.83Å
155	F	98.1	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.1	-46.5	-179.5	177.3	-120	0	0	0	112.4	V33 W35 I66 F118 I120 D151 L158 T159 A185	V33-F155 HydrophobicContact CG1-CE1 3.87Å; V33-F155 HydrophobicContact CG1-CZ 3.69Å; W35-F155 HydrophobicContact CE3-CD1 4.09Å; W35-F155 HydrophobicContact CE3-CG 4.4Å; W35-F155 HydrophobicContact CZ3-CB 4.03Å; W35-F155 HydrophobicContact CZ3-CD1 4.37Å; W35-F155 HydrophobicContact CZ3-CG 4.27Å; I66-F155 HydrophobicContact CG2-CE2 4.1Å; I66-F155 HydrophobicContact CG2-CZ 4.19Å; F118-F155 HydrophobicContact CB-CD2 4.48Å; F118-F155 HydrophobicContact CD2-CD2 4.22Å; F118-F155 HydrophobicContact CD2-CE2 4.02Å; I120-F155 HydrophobicContact CD1-CB 3.94Å; I120-F155 HydrophobicContact CG1-CB 4.37Å; D151-F155 VanDerWaalsContact O-CB 3.32Å; D151-F155 WeakPolarHBondContact O-CB 3.35Å; D151-F155 PolarHBondContact O-N 3.43Å; F155-L158 PolarHBondContact O-N 3.2Å; F155-T159 WeakPolarHBondContact O-CB 3.27Å; F155-T159 PolarHBondContact O-N 3.49Å; F155-T159 PolarHBondContact O-OG1 3.22Å; F155-A185 HydrophobicContact CE1-CB 4.1Å
156	G	97.4	Very high	96.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.7	-40.8	176.5	0	0	0	0	0	112.8	A152 I154 T159 A160 G188	A152-G156 PolarHBondContact O-N 3.18Å; I154-G156 PolarHBondContact O-N 3.19Å; G156-T159 PolarHBondContact O-N 3.44Å; G156-A160 WeakPolarHBondContact O-CB 3.23Å; G156-A160 PolarHBondContact O-N 3.31Å; G156-G188 VanDerWaalsContact CA-N 3.34Å; G156-G188 VanDerWaalsContact O-CA 3.22Å; G156-G188 WeakPolarHBondContact O-CA 3.46Å
157	S	97.6	Very high	96.4	Very high	6 Å²	6	24.3 Å²	24.3	4%	0.042	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-43.2	178.6	-57.4	0	0	0	0	112.1	W130 V153 I154 T159 A160 W161	W130-S157 VanDerWaalsContact CD2-CB 3.4Å; W130-S157 VanDerWaalsContact CE2-CB 3.49Å; V153-S157 VanDerWaalsContact O-CB 3.25Å; V153-S157 WeakPolarHBondContact O-CB 3.28Å; V153-S157 PolarHBondContact O-N 3.09Å; V153-S157 PolarHBondContact O-OG 3.36Å; I154-S157 PolarHBondContact O-N 2.82Å; S157-T159 VanDerWaalsContact C-N 3.35Å; S157-A160 PolarHBondContact O-N 3.34Å; S157-W161 VanDerWaalsContact O-CB 3.29Å; S157-W161 WeakPolarHBondContact O-CB 3.37Å; S157-W161 PolarHBondContact O-N 3.19Å
158	L	97.8	Very high	96.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-41.6	173.4	-72.1	172	0	0	0	111.9	C100 F118 A123 W130 I154 F155 W161 F162	C100-L158 HydrophobicContact CB-CD2 4.14Å; F118-L158 HydrophobicContact CB-CB 4.5Å; F118-L158 HydrophobicContact CB-CD1 3.85Å; F118-L158 HydrophobicContact CD1-CB 3.85Å; F118-L158 HydrophobicContact CD1-CD1 4.12Å; F118-L158 HydrophobicContact CD1-CG 4.42Å; F118-L158 HydrophobicContact CD2-CB 4.14Å; F118-L158 HydrophobicContact CE1-CB 4.07Å; F118-L158 HydrophobicContact CE2-CB 4.32Å; F118-L158 HydrophobicContact CG-CB 3.91Å; F118-L158 HydrophobicContact CG-CD1 4.09Å; F118-L158 HydrophobicContact CZ-CB 4.3Å; A123-L158 HydrophobicContact CB-CD1 3.79Å; A123-L158 HydrophobicContact CB-CD2 4.15Å; A123-L158 HydrophobicContact CB-CG 4.29Å; W130-L158 HydrophobicContact CH2-CD2 3.74Å; W130-L158 HydrophobicContact CH2-CG 3.9Å; W130-L158 HydrophobicContact CZ2-CD2 4.33Å; W130-L158 HydrophobicContact CZ3-CG 4.46Å; I154-L158 HydrophobicContact CG2-CD1 3.93Å; I154-L158 HydrophobicContact CG2-CG 4.49Å; I154-L158 WeakPolarHBondContact O-CG 3.36Å; I154-L158 PolarHBondContact O-N 2.83Å; F155-L158 PolarHBondContact O-N 3.2Å; L158-W161 PolarHBondContact O-N 3.36Å; L158-F162 WeakPolarHBondContact O-CB 3.34Å; L158-F162 PolarHBondContact O-N 2.85Å
159	T	97.9	Very high	95.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63.9	-48.2	177.8	-57.9	0	0	0	0	111.4	V33 I66 F155 G156 S157 W161 F162 L163 F180	V33-T159 HydrophobicContact CG1-CG2 4.03Å; V33-T159 HydrophobicContact CG2-CG2 4.17Å; I66-T159 HydrophobicContact CD1-CG2 4.34Å; I66-T159 HydrophobicContact CG2-CG2 4.44Å; F155-T159 WeakPolarHBondContact O-CB 3.27Å; F155-T159 PolarHBondContact O-N 3.49Å; F155-T159 PolarHBondContact O-OG1 3.22Å; G156-T159 PolarHBondContact O-N 3.44Å; S157-T159 VanDerWaalsContact C-N 3.35Å; T159-W161 VanDerWaalsContact C-N 3.32Å; T159-W161 PolarHBondContact O-N 3.29Å; T159-F162 PolarHBondContact O-N 2.91Å; T159-L163 HydrophobicContact CG2-CD1 4.23Å; T159-L163 WeakPolarHBondContact O-CG 3.43Å; T159-L163 PolarHBondContact O-N 3.25Å; T159-F180 HydrophobicContact CG2-CE1 3.94Å; T159-F180 HydrophobicContact CG2-CZ 4.38Å
160	A	97.4	Very high	95.1	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-63.6	-38.5	177.9	0	0	0	0	0	111.9	G156 S157 L163 K164 L191	G156-A160 WeakPolarHBondContact O-CB 3.23Å; G156-A160 PolarHBondContact O-N 3.31Å; S157-A160 PolarHBondContact O-N 3.34Å; A160-L163 PolarHBondContact O-N 3.47Å; A160-K164 WeakPolarHBondContact O-CB 3.29Å; A160-K164 PolarHBondContact O-N 3.39Å; A160-L191 HydrophobicContact CB-CB 3.63Å; A160-L191 HydrophobicContact CB-CD1 4.36Å
161	W	96.9	Very high	93.5	Very high	59 Å²	59	28.2 Å²	28.2	22%	0.223	14%	0.144	C	C	.	.	H	α-helix	trans	-63.7	-46.6	174.8	-172.7	5.1	0	0	0	111.5	I95 Q98 W130 S157 L158 T159 L163 K164 E165	I95-W161 HydrophobicContact CG1-CD2 4.29Å; I95-W161 HydrophobicContact CG1-CG 4.49Å; Q98-W161 HydrophobicContact CB-CH2 3.59Å; Q98-W161 HydrophobicContact CB-CZ2 4.13Å; Q98-W161 HydrophobicContact CG-CH2 3.8Å; Q98-W161 HydrophobicContact CG-CZ2 3.83Å; W130-W161 HydrophobicContact CZ2-CE3 4.24Å; W130-W161 HydrophobicContact CZ2-CZ3 4.38Å; S157-W161 VanDerWaalsContact O-CB 3.29Å; S157-W161 WeakPolarHBondContact O-CB 3.37Å; S157-W161 PolarHBondContact O-N 3.19Å; L158-W161 PolarHBondContact O-N 3.36Å; T159-W161 VanDerWaalsContact C-N 3.32Å; T159-W161 PolarHBondContact O-N 3.29Å; W161-L163 PolarHBondContact O-N 3.27Å; W161-K164 WeakPolarHBondContact O-CB 3.31Å; W161-K164 PolarHBondContact O-N 2.85Å; W161-K164 VanDerWaalsContact O-N 3.16Å; W161-E165 PolarHBondContact NE1-OE1 3.33Å; W161-E165 VanDerWaalsContact NE1-OE1 3.09Å; W161-E165 WeakPolarHBondContact O-CG 3.47Å; W161-E165 PolarHBondContact O-N 3.34Å
162	F	97.4	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-47.4	175.3	170.7	-98.5	0	0	0	112.5	F31 I66 V88 A91 M92 I95 L116 F118 L158 T159 K164 E165 L166	F31-F162 HydrophobicContact CD1-CE1 4.09Å; F31-F162 AromaticContact CE1-CE1 3.64Å; F31-F162 HydrophobicContact CE1-CE1 3.64Å; F31-F162 AromaticContact CE1-CZ 3.98Å; F31-F162 HydrophobicContact CE1-CZ 3.98Å; F31-F162 HydrophobicContact CZ-CE1 4.08Å; F31-F162 HydrophobicContact CZ-CZ 4.3Å; I66-F162 HydrophobicContact CD1-CD1 4.07Å; I66-F162 HydrophobicContact CD1-CE1 4.15Å; V88-F162 HydrophobicContact CG1-CE2 4.36Å; V88-F162 HydrophobicContact CG1-CZ 4.12Å; A91-F162 HydrophobicContact CB-CD2 3.91Å; A91-F162 HydrophobicContact CB-CE2 3.71Å; M92-F162 HydrophobicContact CG-CD2 4.49Å; M92-F162 HydrophobicContact CG-CE2 4.05Å; I95-F162 HydrophobicContact CD1-CB 3.62Å; I95-F162 HydrophobicContact CD1-CD2 4.23Å; I95-F162 HydrophobicContact CD1-CG 4.44Å; L116-F162 HydrophobicContact CD1-CD1 4.46Å; L116-F162 HydrophobicContact CD1-CD2 3.98Å; L116-F162 HydrophobicContact CD1-CE1 4.03Å; L116-F162 HydrophobicContact CD1-CE2 3.48Å; L116-F162 VanDerWaalsContact CD1-CE2 3.48Å; L116-F162 HydrophobicContact CD1-CG 4.44Å; L116-F162 HydrophobicContact CD1-CZ 3.52Å; F118-F162 HydrophobicContact CE1-CB 4.42Å; F118-F162 HydrophobicContact CZ-CB 3.67Å; F118-F162 HydrophobicContact CZ-CG 4.14Å; L158-F162 WeakPolarHBondContact O-CB 3.34Å; L158-F162 PolarHBondContact O-N 2.85Å; T159-F162 PolarHBondContact O-N 2.91Å; F162-K164 PolarHBondContact O-N 3.36Å; F162-E165 PolarHBondContact O-N 3.22Å; F162-L166 HydrophobicContact CE1-CD2 4.09Å; F162-L166 HydrophobicContact CZ-CD2 4.21Å; F162-L166 VanDerWaalsContact O-CB 3.28Å; F162-L166 WeakPolarHBondContact O-CB 3.39Å; F162-L166 PolarHBondContact O-N 2.98Å
163	L	96.4	Very high	90	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-35.7	177.3	-70	174.9	0	0	0	111.9	F31 T159 A160 W161 S167 I176 A178 F180 L197	F31-L163 HydrophobicContact CD2-CD2 4.31Å; F31-L163 HydrophobicContact CG-CD2 4.41Å; T159-L163 HydrophobicContact CG2-CD1 4.23Å; T159-L163 WeakPolarHBondContact O-CG 3.43Å; T159-L163 PolarHBondContact O-N 3.25Å; A160-L163 PolarHBondContact O-N 3.47Å; W161-L163 PolarHBondContact O-N 3.27Å; L163-S167 VanDerWaalsContact O-CB 3.29Å; L163-S167 WeakPolarHBondContact O-CB 3.41Å; L163-S167 PolarHBondContact O-N 3.33Å; L163-S167 PolarHBondContact O-OG 3.46Å; L163-I176 HydrophobicContact CD2-CG2 4.2Å; L163-A178 HydrophobicContact CD1-CB 3.94Å; L163-A178 HydrophobicContact CD2-CB 4.47Å; L163-F180 HydrophobicContact CD1-CZ 3.99Å; L163-L197 HydrophobicContact CB-CD1 4.24Å
164	K	95.3	Very high	88.2	Confident	90 Å²	90	41.2 Å²	41.2	39%	0.391	21%	0.208	S	C	.	.	H	α-helix	trans	-63.7	-54.4	173.6	179.9	-178.2	178.4	-179.2	0	111.5	A160 W161 F162 L166 S167 C168 L197	A160-K164 WeakPolarHBondContact O-CB 3.29Å; A160-K164 PolarHBondContact O-N 3.39Å; W161-K164 WeakPolarHBondContact O-CB 3.31Å; W161-K164 PolarHBondContact O-N 2.85Å; W161-K164 VanDerWaalsContact O-N 3.16Å; F162-K164 PolarHBondContact O-N 3.36Å; K164-L166 PolarHBondContact O-N 3.45Å; K164-S167 PolarHBondContact O-N 3.22Å; K164-S167 VanDerWaalsContact O-N 3.16Å; K164-S167 PolarHBondContact O-OG 3.21Å; K164-C168 PolarHBondContact O-N 3.2Å; K164-C168 VanDerWaalsContact O-N 3.09Å; K164-C168 PolarHBondContact O-SG 3.33Å; K164-L197 HydrophobicContact CB-CD1 3.93Å; K164-L197 HydrophobicContact CB-CD2 3.82Å; K164-L197 HydrophobicContact CD-CD2 4.44Å; K164-L197 HydrophobicContact CG-CD2 3.84Å
165	E	94.6	Very high	87.2	Confident	40 Å²	40	42.4 Å²	42.4	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-59.6	-37.4	179.9	-66.6	-56.8	150.3	0	0	112.3	A91 T94 W161 F162 Q169	A91-E165 HydrophobicContact CB-CB 3.86Å; T94-E165 HydrophobicContact CG2-CG 4.1Å; W161-E165 PolarHBondContact NE1-OE1 3.33Å; W161-E165 VanDerWaalsContact NE1-OE1 3.09Å; W161-E165 WeakPolarHBondContact O-CG 3.47Å; W161-E165 PolarHBondContact O-N 3.34Å; F162-E165 PolarHBondContact O-N 3.22Å; E165-Q169 PolarHBondContact O-NE2 2.96Å; E165-Q169 VanDerWaalsContact O-NE2 3.14Å
166	L	93.6	Very high	87	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-47.8	175.3	-177.3	66.2	0	0	0	111.2	L29 F31 A87 V88 A91 F162 K164 C168 Q169 F170 I176	L29-L166 HydrophobicContact CD1-CD2 4.45Å; F31-L166 HydrophobicContact CD2-CD2 4.35Å; F31-L166 HydrophobicContact CE1-CD2 4.34Å; F31-L166 HydrophobicContact CE2-CD2 3.33Å; F31-L166 HydrophobicContact CZ-CD2 3.33Å; A87-L166 HydrophobicContact CB-CD1 3.92Å; V88-L166 HydrophobicContact CG2-CD1 4.1Å; A91-L166 HydrophobicContact CB-CB 4.2Å; F162-L166 HydrophobicContact CE1-CD2 4.09Å; F162-L166 HydrophobicContact CZ-CD2 4.21Å; F162-L166 VanDerWaalsContact O-CB 3.28Å; F162-L166 WeakPolarHBondContact O-CB 3.39Å; F162-L166 PolarHBondContact O-N 2.98Å; K164-L166 PolarHBondContact O-N 3.45Å; L166-C168 PolarHBondContact O-N 3.48Å; L166-Q169 WeakPolarHBondContact O-CB 3.16Å; L166-Q169 PolarHBondContact O-N 2.96Å; L166-F170 HydrophobicContact CD1-CE2 3.93Å; L166-F170 HydrophobicContact CG-CE2 4.02Å; L166-F170 VanDerWaalsContact O-CD2 3.23Å; L166-F170 WeakPolarHBondContact O-CD2 3.39Å; L166-F170 WeakPolarHBondContact O-CE2 3.45Å; L166-I176 HydrophobicContact CD2-CD1 3.9Å; L166-I176 HydrophobicContact CD2-CG1 4.46Å; L166-I176 HydrophobicContact CG-CD1 3.92Å
167	S	91.4	Very high	86.9	Confident	13 Å²	13	42.6 Å²	42.6	9%	0.091	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-33.7	179.6	69.8	0	0	0	0	112.8	L163 K164 Q169 F170	L163-S167 VanDerWaalsContact O-CB 3.29Å; L163-S167 WeakPolarHBondContact O-CB 3.41Å; L163-S167 PolarHBondContact O-N 3.33Å; L163-S167 PolarHBondContact O-OG 3.46Å; K164-S167 PolarHBondContact O-N 3.22Å; K164-S167 VanDerWaalsContact O-N 3.16Å; K164-S167 PolarHBondContact O-OG 3.21Å; S167-Q169 PolarHBondContact O-N 3.43Å; S167-F170 PolarHBondContact O-N 2.97Å
168	C	88.9	Confident	86.9	Confident	81 Å²	81	42.3 Å²	42.3	55%	0.547	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.3	174.8	-66.5	0	0	0	0	114.1	K164 L166 F170	K164-C168 PolarHBondContact O-N 3.2Å; K164-C168 VanDerWaalsContact O-N 3.09Å; K164-C168 PolarHBondContact O-SG 3.33Å; L166-C168 PolarHBondContact O-N 3.48Å; C168-F170 VanDerWaalsContact C-N 3.33Å
169	Q	85.9	Confident	87	Confident	54 Å²	54	42.3 Å²	42.3	25%	0.252	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-7.2	175.8	-53.9	-47.4	-53.4	0	0	113.2	A87 K90 E165 L166 S167	A87-Q169 HydrophobicContact CB-CB 3.86Å; A87-Q169 HydrophobicContact CB-CG 4.11Å; K90-Q169 VanDerWaalsContact CD-OE1 3.26Å; K90-Q169 VanDerWaalsContact CE-OE1 3.24Å; E165-Q169 PolarHBondContact O-NE2 2.96Å; E165-Q169 VanDerWaalsContact O-NE2 3.14Å; L166-Q169 WeakPolarHBondContact O-CB 3.16Å; L166-Q169 PolarHBondContact O-N 2.96Å; S167-Q169 PolarHBondContact O-N 3.43Å
170	F	82.8	Confident	87	Confident	54 Å²	54	42.3 Å²	42.3	24%	0.237	21%	0.213	C	C	.	.	S	Bend	trans	-111.8	111.5	-178	-61.2	-82	0	0	0	109.9	L29 A87 L166 S167 C168 D172 I176	L29-F170 HydrophobicContact CD1-CE2 4.21Å; L29-F170 HydrophobicContact CD1-CZ 3.74Å; A87-F170 HydrophobicContact CB-CE2 4.28Å; A87-F170 HydrophobicContact CB-CZ 4.03Å; L166-F170 HydrophobicContact CD1-CE2 3.93Å; L166-F170 HydrophobicContact CG-CE2 4.02Å; L166-F170 VanDerWaalsContact O-CD2 3.23Å; L166-F170 WeakPolarHBondContact O-CD2 3.39Å; L166-F170 WeakPolarHBondContact O-CE2 3.45Å; S167-F170 PolarHBondContact O-N 2.97Å; C168-F170 VanDerWaalsContact C-N 3.33Å; F170-D172 VanDerWaalsContact C-N 3.34Å; F170-D172 PolarHBondContact O-N 3.49Å; F170-I176 HydrophobicContact CD2-CD1 4.25Å; F170-I176 HydrophobicContact CE2-CD1 4.25Å
171	D	63.8	Low	87.1	Confident	157 Å²	157	42.2 Å²	42.2	84%	0.84	21%	0.213	S	C	*	.	S	Bend	trans	-71.2	81.3	178.7	-66.9	-37.3	0	0	0	110.8	K173	D171-K173 PolarHBondContact O-N 3.44Å
172	D	59.8	Low	87.1	Confident	156 Å²	156	40.1 Å²	40.1	83%	0.834	21%	0.206	S	C	*	.	S	Bend	trans	68.3	18.3	174.3	-64.5	-34.3	0	0	0	117.5	F170	F170-D172 VanDerWaalsContact C-N 3.34Å; F170-D172 PolarHBondContact O-N 3.49Å
173	K	62.3	Low	87.1	Confident	133 Å²	133	40.6 Å²	40.6	58%	0.578	21%	0.207	S	C	*	.			trans	-109.5	109.4	168.8	-64.8	-174	-177.4	-176.6	0	110.3	D171 N175	D171-K173 PolarHBondContact O-N 3.44Å; K173-N175 PolarHBondContact O-N 2.92Å; K173-N175 VanDerWaalsContact O-N 3.15Å
174	P	59.5	Low	87.1	Confident	19 Å²	19	41.9 Å²	41.9	12%	0.123	21%	0.213	C	C	.	.			trans	-78.2	107.6	173.5	26.1	-20.7	0	0	0	109.5	F618 K621	P174-F618 HydrophobicContact CB-CD1 3.62Å; P174-F618 HydrophobicContact CB-CD2 3.95Å; P174-F618 HydrophobicContact CB-CE1 3.11Å; P174-F618 HydrophobicContact CB-CE2 3.49Å; P174-F618 VanDerWaalsContact CB-CE2 3.49Å; P174-F618 HydrophobicContact CB-CG 4.02Å; P174-F618 HydrophobicContact CB-CZ 3.06Å; P174-F618 HydrophobicContact CG-CB 4.37Å; P174-F618 HydrophobicContact CG-CD1 3.16Å; P174-F618 HydrophobicContact CG-CD2 3.87Å; P174-F618 HydrophobicContact CG-CE1 3.24Å; P174-F618 HydrophobicContact CG-CE2 3.95Å; P174-F618 HydrophobicContact CG-CG 3.51Å; P174-F618 HydrophobicContact CG-CZ 3.68Å; P174-K621 VanDerWaalsContact CD-NZ 3.29Å
175	N	76.3	Confident	87.2	Confident	28 Å²	28	37.6 Å²	37.6	15%	0.15	19%	0.194	C	C	.	.			trans	-117.5	23.7	-175.7	-72.9	8.9	0	0	0	110.8	D27 L28 L29 K173	D27-N175 WeakPolarHBondContact O-CB 3.35Å; D27-N175 PolarHBondContact O-ND2 2.93Å; D27-N175 PolarHBondContact O-OD1 3.42Å; L28-N175 CarbonylContact C-O 3.56Å; L29-N175 WeakPolarHBondContact CB-O 3.32Å; L29-N175 PolarHBondContact N-O 2.84Å; K173-N175 PolarHBondContact O-N 2.92Å; K173-N175 VanDerWaalsContact O-N 3.15Å
176	I	93.5	Very high	87.3	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.7	-168.1	-52.7	171.4	0	0	0	110.7	L29 F31 L163 L166 F170 V199 A200	L29-I176 WeakPolarHBondContact O-CA 3.27Å; F31-I176 HydrophobicContact CD2-CG2 3.83Å; F31-I176 HydrophobicContact CE2-CG2 4.06Å; L163-I176 HydrophobicContact CD2-CG2 4.2Å; L166-I176 HydrophobicContact CD2-CD1 3.9Å; L166-I176 HydrophobicContact CD2-CG1 4.46Å; L166-I176 HydrophobicContact CG-CD1 3.92Å; F170-I176 HydrophobicContact CD2-CD1 4.25Å; F170-I176 HydrophobicContact CE2-CD1 4.25Å; I176-V199 HydrophobicContact CB-CG1 4.29Å; I176-V199 HydrophobicContact CB-CG2 4.2Å; I176-V199 HydrophobicContact CD1-CG2 4.42Å; I176-V199 HydrophobicContact CG2-CB 4.48Å; I176-V199 HydrophobicContact CG2-CG1 3.77Å; I176-V199 HydrophobicContact CG2-CG2 4.05Å; I176-A200 PolarHBondContact O-N 3.45Å
177	I	96.4	Very high	87.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.3	167.5	-52	180	0	0	0	108	L29 L30 F31 W59 A200 I202 R610 L614	L29-I177 PolarHBondContact O-N 3.49Å; L30-I177 HydrophobicContact CD1-CB 3.97Å; L30-I177 HydrophobicContact CD1-CG2 3.88Å; F31-I177 PolarHBondContact N-O 2.93Å; W59-I177 HydrophobicContact CH2-CD1 3.66Å; W59-I177 HydrophobicContact CZ2-CD1 4.18Å; I177-A200 CarbonylContact C-O 3.53Å; I177-A200 WeakPolarHBondContact CA-O 3.41Å; I177-A200 HydrophobicContact CG1-CB 4.45Å; I177-I202 HydrophobicContact CG2-CD1 3.97Å; I177-R610 HydrophobicContact CD1-CB 4.08Å; I177-L614 HydrophobicContact CD1-CD1 3.81Å; I177-L614 HydrophobicContact CD1-CD2 4.06Å; I177-L614 HydrophobicContact CD1-CG 3.84Å; I177-L614 HydrophobicContact CG1-CD2 3.84Å; I177-L614 HydrophobicContact CG1-CG 4.14Å
178	A	98	Very high	87.8	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.1	173.8	0	0	0	0	0	110.4	F31 L163 F180 V199 A200 T201 I202	F31-A178 CarbonylContact O-C 3.55Å; F31-A178 VanDerWaalsContact O-CA 3.32Å; F31-A178 WeakPolarHBondContact O-CA 3.33Å; L163-A178 HydrophobicContact CD1-CB 3.94Å; L163-A178 HydrophobicContact CD2-CB 4.47Å; A178-F180 HydrophobicContact CB-CD2 4.31Å; A178-F180 HydrophobicContact CB-CE2 3.48Å; A178-F180 VanDerWaalsContact CB-CE2 3.48Å; A178-F180 HydrophobicContact CB-CZ 4Å; A178-F180 WeakPolarHBondContact O-CD2 3.48Å; A178-V199 HydrophobicContact CB-CG1 3.61Å; A178-A200 PolarHBondContact N-O 3.38Å; A178-T201 WeakPolarHBondContact O-CA 3.46Å; A178-I202 PolarHBondContact O-N 2.83Å
179	H	98.6	Very high	88.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	111.4	-178.8	-165	153.5	0	0	0	109.7	F31 E32 V33 H181 I202 T204 Y606	F31-H179 PolarHBondContact O-N 3.34Å; E32-H179 CarbonylContact C-O 3.57Å; E32-H179 WeakPolarHBondContact CA-O 3.4Å; E32-H179 HydrophobicContact CG-CB 4.38Å; V33-H179 PolarHBondContact N-O 3.14Å; H179-H181 AromaticContact CD2-CE1 3.95Å; H179-H181 AromaticContact CD2-NE2 3.9Å; H179-H181 AromaticContact NE2-CE1 3.69Å; H179-I202 HydrophobicContact CB-CB 4.28Å; H179-I202 HydrophobicContact CB-CD1 4.41Å; H179-T204 PolarHBondContact NE2-OG1 2.75Å; H179-Y606 AromaticContact CE1-CD1 3.57Å; H179-Y606 AromaticContact CE1-CE1 3.63Å
180	F	98.7	Very high	88.8	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.4	-177.3	-62.5	-98.2	0	0	0	111.2	V33 T159 L163 A178 A185 L189 T201 I202 F203 T204	V33-F180 HydrophobicContact CB-CD1 3.71Å; V33-F180 HydrophobicContact CB-CE1 4.02Å; V33-F180 HydrophobicContact CB-CG 4.3Å; V33-F180 HydrophobicContact CG1-CD1 3.93Å; V33-F180 HydrophobicContact CG1-CE1 4.07Å; V33-F180 HydrophobicContact CG2-CD1 3.99Å; V33-F180 HydrophobicContact CG2-CE1 3.86Å; V33-F180 HydrophobicContact CG2-CZ 4.28Å; T159-F180 HydrophobicContact CG2-CE1 3.94Å; T159-F180 HydrophobicContact CG2-CZ 4.38Å; L163-F180 HydrophobicContact CD1-CZ 3.99Å; A178-F180 HydrophobicContact CB-CD2 4.31Å; A178-F180 HydrophobicContact CB-CE2 3.48Å; A178-F180 VanDerWaalsContact CB-CE2 3.48Å; A178-F180 HydrophobicContact CB-CZ 4Å; A178-F180 WeakPolarHBondContact O-CD2 3.48Å; F180-A185 HydrophobicContact CB-CB 4.44Å; F180-A185 HydrophobicContact CD1-CB 4.19Å; F180-A185 VanDerWaalsContact CD1-O 3.23Å; F180-A185 WeakPolarHBondContact CD1-O 3.35Å; F180-L189 HydrophobicContact CB-CD1 4.24Å; F180-L189 HydrophobicContact CD1-CB 4.17Å; F180-L189 HydrophobicContact CD2-CB 3.7Å; F180-L189 HydrophobicContact CD2-CD1 3.75Å; F180-L189 HydrophobicContact CD2-CG 4.02Å; F180-L189 HydrophobicContact CE1-CB 4.27Å; F180-L189 HydrophobicContact CE2-CB 3.8Å; F180-L189 HydrophobicContact CE2-CD1 4.41Å; F180-L189 HydrophobicContact CE2-CG 4.21Å; F180-L189 HydrophobicContact CG-CB 3.88Å; F180-L189 HydrophobicContact CG-CD1 4.19Å; F180-L189 HydrophobicContact CZ-CB 4.09Å; F180-T201 HydrophobicContact CE2-CG2 4.33Å; F180-I202 PolarHBondContact N-O 3.08Å; F180-F203 HydrophobicContact CB-CD2 4.16Å; F180-F203 WeakPolarHBondContact O-CA 3.47Å; F180-T204 PolarHBondContact O-N 3.07Å
181	H	98.3	Very high	89.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.8	173.9	-65.6	-77.8	0	0	0	111.4	E32 V33 I44 H179 A185 H206	E32-H181 WeakPolarHBondContact CG-NE2 3.36Å; E32-H181 IonicContact OE1-CE1 3.93Å; E32-H181 IonicContact OE1-NE2 2.94Å; E32-H181 PolarHBondContact OE1-NE2 3.45Å; E32-H181 VanDerWaalsContact OE1-NE2 3.16Å; V33-H181 PolarHBondContact O-N 3.02Å; I44-H181 HydrophobicContact CG2-CB 4.24Å; H179-H181 AromaticContact CD2-CE1 3.95Å; H179-H181 AromaticContact CD2-NE2 3.9Å; H179-H181 AromaticContact NE2-CE1 3.69Å; H181-A185 WeakPolarHBondContact O-CB 3.1Å; H181-H206 AromaticContact CG-NE2 3.83Å; H181-H206 AromaticContact ND1-NE2 3.15Å; H181-H206 PolarHBondContact ND1-NE2 2.96Å; H181-H206 VanDerWaalsContact ND1-NE2 3.15Å
182	E	97.3	Very high	91	Very high	15 Å²	15	19.1 Å²	19.1	7%	0.07	10%	0.095	C	C	.	.	H	α-helix	trans	60.7	162.2	-179.8	-76.7	-59.1	171.3	0	0	117.5	I44 Q184 A185 G186 F203 T204 H206 A207	I44-E182 HydrophobicContact CD1-CB 4.17Å; I44-E182 HydrophobicContact CD1-CG 3.37Å; E182-Q184 PolarHBondContact O-N 3.27Å; E182-Q184 VanDerWaalsContact O-N 3.12Å; E182-A185 PolarHBondContact O-N 2.95Å; E182-A185 VanDerWaalsContact O-N 3.09Å; E182-G186 PolarHBondContact O-N 3.26Å; E182-G186 VanDerWaalsContact O-N 3.09Å; E182-F203 WeakPolarHBondContact O-CE2 3.43Å; E182-T204 PolarHBondContact N-O 3.24Å; E182-H206 HydrophobicContact CG-CB 4.49Å; E182-H206 WeakPolarHBondContact OE1-CA 3.47Å; E182-H206 WeakPolarHBondContact OE1-CB 3.43Å; E182-H206 PolarHBondContact OE1-N 2.8Å; E182-A207 PolarHBondContact OE1-N 3.48Å
183	W	96.9	Very high	92.7	Very high	10 Å²	10	16.3 Å²	16.3	4%	0.038	7%	0.073	C	C	.	.	H	α-helix	trans	-56.6	-28.1	-176.7	72.5	-86.9	0	0	0	113.9	E148 A152 A185 G186 L209 R242 M245 E246	E148-W183 HydrophobicContact CG-CH2 3.91Å; E148-W183 HydrophobicContact CG-CZ2 4.23Å; E148-W183 WeakPolarHBondContact OE1-CZ2 3.41Å; A152-W183 HydrophobicContact CB-CZ3 4.41Å; W183-A185 VanDerWaalsContact C-N 3.34Å; W183-A185 PolarHBondContact O-N 3.48Å; W183-G186 PolarHBondContact O-N 3.26Å; W183-G186 VanDerWaalsContact O-N 3.13Å; W183-L209 HydrophobicContact CD2-CD1 4.29Å; W183-L209 HydrophobicContact CG-CD1 4.05Å; W183-R242 HydrophobicContact CE3-CB 4.35Å; W183-R242 HydrophobicContact CH2-CB 4.31Å; W183-R242 HydrophobicContact CH2-CG 3.86Å; W183-R242 HydrophobicContact CZ2-CG 4.39Å; W183-R242 HydrophobicContact CZ3-CB 4.19Å; W183-R242 HydrophobicContact CZ3-CG 3.99Å; W183-M245 HydrophobicContact CE3-CB 4.38Å; W183-M245 HydrophobicContact CE3-CE 4.06Å; W183-M245 HydrophobicContact CE3-SD 4.12Å; W183-M245 HydrophobicContact CZ3-CE 4.01Å; W183-M245 HydrophobicContact CZ3-SD 4.01Å; W183-E246 HydrophobicContact CB-CB 3.7Å; W183-E246 HydrophobicContact CB-CG 4.2Å
184	Q	96.9	Very high	94.3	Very high	26 Å²	26	12.7 Å²	12.7	12%	0.121	6%	0.064	C	C	.	.	H	α-helix	trans	-64.1	-36.5	177.9	-67.8	135.9	-37.2	0	0	112.4	W35 E148 E182	W35-Q184 HydrophobicContact CB-CB 3.96Å; W35-Q184 HydrophobicContact CD2-CB 4.44Å; W35-Q184 HydrophobicContact CE3-CB 4.34Å; W35-Q184 HydrophobicContact CG-CB 4.29Å; E148-Q184 PolarHBondContact OE1-NE2 3.31Å; E182-Q184 PolarHBondContact O-N 3.27Å; E182-Q184 VanDerWaalsContact O-N 3.12Å
185	A	97.3	Very high	95.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-86.7	-19.2	173	0	0	0	0	0	112.1	V33 F155 F180 H181 E182 W183 V187 G188	V33-A185 HydrophobicContact CG1-CB 4.03Å; F155-A185 HydrophobicContact CE1-CB 4.1Å; F180-A185 HydrophobicContact CB-CB 4.44Å; F180-A185 HydrophobicContact CD1-CB 4.19Å; F180-A185 VanDerWaalsContact CD1-O 3.23Å; F180-A185 WeakPolarHBondContact CD1-O 3.35Å; H181-A185 WeakPolarHBondContact O-CB 3.1Å; E182-A185 PolarHBondContact O-N 2.95Å; E182-A185 VanDerWaalsContact O-N 3.09Å; W183-A185 VanDerWaalsContact C-N 3.34Å; W183-A185 PolarHBondContact O-N 3.48Å; A185-V187 VanDerWaalsContact C-N 3.25Å; A185-V187 PolarHBondContact O-N 3.26Å; A185-V187 VanDerWaalsContact O-N 3.14Å; A185-G188 PolarHBondContact O-N 3.11Å; A185-G188 VanDerWaalsContact O-N 3.16Å
186	G	96.9	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61	-21.9	-171.8	0	0	0	0	0	116.3	E182 W183 G188 L189 I190 S249	E182-G186 PolarHBondContact O-N 3.26Å; E182-G186 VanDerWaalsContact O-N 3.09Å; W183-G186 PolarHBondContact O-N 3.26Å; W183-G186 VanDerWaalsContact O-N 3.13Å; G186-G188 VanDerWaalsContact C-N 3.3Å; G186-G188 PolarHBondContact O-N 3.34Å; G186-L189 WeakPolarHBondContact O-CB 3.42Å; G186-L189 PolarHBondContact O-N 2.64Å; G186-I190 WeakPolarHBondContact O-CG1 3.37Å; G186-I190 PolarHBondContact O-N 2.9Å; G186-I190 VanDerWaalsContact O-N 3.15Å; G186-S249 WeakPolarHBondContact CA-OG 3.46Å; G186-S249 PolarHBondContact O-OG 3.04Å
187	V	97.8	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.8	-39.4	175.3	177.8	0	0	0	0	111.5	F134 V153 A185 L189 I190 L191 M245	F134-V187 HydrophobicContact CD2-CG1 3.9Å; F134-V187 HydrophobicContact CE2-CB 4.47Å; F134-V187 HydrophobicContact CE2-CG1 3.79Å; F134-V187 HydrophobicContact CE2-CG2 4.37Å; F134-V187 HydrophobicContact CZ-CG1 4.47Å; F134-V187 HydrophobicContact CZ-CG2 4.29Å; V153-V187 HydrophobicContact CG2-CG2 4.45Å; A185-V187 VanDerWaalsContact C-N 3.25Å; A185-V187 PolarHBondContact O-N 3.26Å; A185-V187 VanDerWaalsContact O-N 3.14Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 2.77Å; V187-I190 PolarHBondContact O-N 2.8Å; V187-L191 HydrophobicContact CG1-CD1 3.92Å; V187-L191 HydrophobicContact CG1-CG 4.28Å; V187-L191 WeakPolarHBondContact O-CG 3.4Å; V187-L191 PolarHBondContact O-N 3.15Å; V187-M245 HydrophobicContact CG2-CE 3.21Å
188	G	97.4	Very high	96.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.1	-40.6	177.9	0	0	0	0	0	111.6	G156 A185 G186 L191 S192	G156-G188 VanDerWaalsContact CA-N 3.34Å; G156-G188 VanDerWaalsContact O-CA 3.22Å; G156-G188 WeakPolarHBondContact O-CA 3.46Å; A185-G188 PolarHBondContact O-N 3.11Å; A185-G188 VanDerWaalsContact O-N 3.16Å; G186-G188 VanDerWaalsContact C-N 3.3Å; G186-G188 PolarHBondContact O-N 3.34Å; G188-L191 PolarHBondContact O-N 3.27Å; G188-S192 WeakPolarHBondContact O-CB 3.42Å; G188-S192 PolarHBondContact O-N 3.39Å; G188-S192 PolarHBondContact O-OG 3.41Å
189	L	97.9	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.4	-48.8	175.8	-174.5	161.1	0	0	0	112	F180 G186 V187 L191 S192 R193 T201 F203 C252 A253	F180-L189 HydrophobicContact CB-CD1 4.24Å; F180-L189 HydrophobicContact CD1-CB 4.17Å; F180-L189 HydrophobicContact CD2-CB 3.7Å; F180-L189 HydrophobicContact CD2-CD1 3.75Å; F180-L189 HydrophobicContact CD2-CG 4.02Å; F180-L189 HydrophobicContact CE1-CB 4.27Å; F180-L189 HydrophobicContact CE2-CB 3.8Å; F180-L189 HydrophobicContact CE2-CD1 4.41Å; F180-L189 HydrophobicContact CE2-CG 4.21Å; F180-L189 HydrophobicContact CG-CB 3.88Å; F180-L189 HydrophobicContact CG-CD1 4.19Å; F180-L189 HydrophobicContact CZ-CB 4.09Å; G186-L189 WeakPolarHBondContact O-CB 3.42Å; G186-L189 PolarHBondContact O-N 2.64Å; V187-L189 VanDerWaalsContact C-N 3.28Å; V187-L189 PolarHBondContact O-N 2.77Å; L189-L191 VanDerWaalsContact C-N 3.34Å; L189-L191 PolarHBondContact O-N 3.24Å; L189-S192 PolarHBondContact O-N 3.34Å; L189-R193 HydrophobicContact CD2-CG 4.15Å; L189-R193 WeakPolarHBondContact O-CG 3.36Å; L189-R193 PolarHBondContact O-N 3.47Å; L189-T201 HydrophobicContact CG-CG2 4.47Å; L189-F203 HydrophobicContact CD1-CB 3.69Å; L189-F203 HydrophobicContact CD1-CD2 4.15Å; L189-F203 HydrophobicContact CD1-CG 4.32Å; L189-C252 HydrophobicContact CD2-CB 3.46Å; L189-C252 VanDerWaalsContact CD2-CB 3.46Å; L189-A253 HydrophobicContact CD1-CB 3.84Å; L189-A253 HydrophobicContact CD2-CB 4.33Å
190	I	97.9	Very high	96.1	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.015	13%	0.13	C	C	.	.	H	α-helix	trans	-58.4	-48.7	-179.3	-64.3	162.7	0	0	0	109.9	F134 V137 G186 V187 R193 S194 A248 C252	F134-I190 HydrophobicContact CE2-CB 4.26Å; F134-I190 HydrophobicContact CE2-CD1 3.96Å; F134-I190 HydrophobicContact CE2-CG2 3.99Å; F134-I190 HydrophobicContact CZ-CD1 4.01Å; V137-I190 HydrophobicContact CG1-CG2 4.47Å; G186-I190 WeakPolarHBondContact O-CG1 3.37Å; G186-I190 PolarHBondContact O-N 2.9Å; G186-I190 VanDerWaalsContact O-N 3.15Å; V187-I190 PolarHBondContact O-N 2.8Å; I190-R193 PolarHBondContact O-N 3.05Å; I190-S194 PolarHBondContact O-N 2.88Å; I190-A248 HydrophobicContact CD1-CB 3.56Å; I190-A248 HydrophobicContact CG1-CB 4.12Å; I190-C252 HydrophobicContact CG1-CB 4.49Å
191	L	97.4	Very high	96.1	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.037	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-43.3	179.9	-68.4	176.3	0	0	0	111.9	F134 A160 V187 G188 L189 R193 S194 Q195	F134-L191 HydrophobicContact CD2-CD2 4.13Å; F134-L191 HydrophobicContact CD2-CG 4.39Å; A160-L191 HydrophobicContact CB-CB 3.63Å; A160-L191 HydrophobicContact CB-CD1 4.36Å; V187-L191 HydrophobicContact CG1-CD1 3.92Å; V187-L191 HydrophobicContact CG1-CG 4.28Å; V187-L191 WeakPolarHBondContact O-CG 3.4Å; V187-L191 PolarHBondContact O-N 3.15Å; G188-L191 PolarHBondContact O-N 3.27Å; L189-L191 VanDerWaalsContact C-N 3.34Å; L189-L191 PolarHBondContact O-N 3.24Å; L191-R193 VanDerWaalsContact C-N 3.29Å; L191-R193 PolarHBondContact O-N 2.96Å; L191-S194 PolarHBondContact O-N 2.81Å; L191-Q195 WeakPolarHBondContact O-CB 3.47Å; L191-Q195 VanDerWaalsContact O-CG 3.28Å; L191-Q195 WeakPolarHBondContact O-CG 3.45Å; L191-Q195 PolarHBondContact O-N 2.86Å
192	S	96.5	Very high	96.1	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-40	176	-66.5	0	0	0	0	112.3	G188 L189 K196 L197	G188-S192 WeakPolarHBondContact O-CB 3.42Å; G188-S192 PolarHBondContact O-N 3.39Å; G188-S192 PolarHBondContact O-OG 3.41Å; L189-S192 PolarHBondContact O-N 3.34Å; S192-K196 PolarHBondContact O-N 2.91Å; S192-L197 WeakPolarHBondContact O-CG 3.28Å; S192-L197 PolarHBondContact O-N 3.45Å
193	R	95.4	Very high	96.2	Very high	96 Å²	96	26 Å²	26	36%	0.362	13%	0.127	S	C	.	.	H	α-helix	trans	-72.3	-42.8	178.2	-72.2	-70.5	-61.6	144.2	-3.4	112.5	L189 I190 L191 Q195 K196 C252 H254	L189-R193 HydrophobicContact CD2-CG 4.15Å; L189-R193 WeakPolarHBondContact O-CG 3.36Å; L189-R193 PolarHBondContact O-N 3.47Å; I190-R193 PolarHBondContact O-N 3.05Å; L191-R193 VanDerWaalsContact C-N 3.29Å; L191-R193 PolarHBondContact O-N 2.96Å; R193-Q195 VanDerWaalsContact C-N 3.28Å; R193-Q195 PolarHBondContact O-N 2.67Å; R193-K196 PolarHBondContact O-N 2.46Å; R193-C252 HydrophobicContact CB-CB 4.24Å; R193-C252 WeakPolarHBondContact CD-O 3.44Å; R193-C252 HydrophobicContact CG-CB 4.23Å; R193-C252 VanDerWaalsContact CG-O 3.3Å; R193-C252 WeakPolarHBondContact CG-O 3.45Å; R193-C252 PolarHBondContact NE-O 3.36Å; R193-H254 VanDerWaalsContact CD-CE1 3.46Å; R193-H254 WeakPolarHBondContact CD-CE1 3.46Å; R193-H254 VanDerWaalsContact CZ-NE2 3.27Å; R193-H254 PolarHBondContact NH1-CE1 3.48Å; R193-H254 PolarHBondContact NH1-NE2 2.97Å
194	S	95.1	Very high	96.3	Very high	57 Å²	57	25.5 Å²	25.5	40%	0.399	13%	0.125	S	C	.	.	H	α-helix	trans	-63.4	-35.5	176.8	-177.3	0	0	0	0	112.8	V137 I190 L191 K196	V137-S194 WeakPolarHBondContact CG1-OG 3.24Å; V137-S194 WeakPolarHBondContact CG2-OG 3.23Å; I190-S194 PolarHBondContact O-N 2.88Å; L191-S194 PolarHBondContact O-N 2.81Å; S194-K196 PolarHBondContact O-N 3.24Å
195	Q	94.1	Very high	96.3	Very high	79 Å²	79	24.3 Å²	24.3	37%	0.369	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.9	177.1	-66.3	176.8	27	0	0	112.8	L191 R193 L197	L191-Q195 WeakPolarHBondContact O-CB 3.47Å; L191-Q195 VanDerWaalsContact O-CG 3.28Å; L191-Q195 WeakPolarHBondContact O-CG 3.45Å; L191-Q195 PolarHBondContact O-N 2.86Å; R193-Q195 VanDerWaalsContact C-N 3.28Å; R193-Q195 PolarHBondContact O-N 2.67Å; Q195-L197 VanDerWaalsContact C-N 3.26Å; Q195-L197 HydrophobicContact CB-CD2 4.05Å; Q195-L197 HydrophobicContact CB-CG 4.1Å; Q195-L197 PolarHBondContact O-N 3.41Å
196	K	93.3	Very high	96.2	Very high	185 Å²	185	25.1 Å²	25.1	80%	0.804	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	40.5	-178	-55.3	-178.5	-178.5	-179.7	0	112.8	S192 R193 S194	S192-K196 PolarHBondContact O-N 2.91Å; R193-K196 PolarHBondContact O-N 2.46Å; S194-K196 PolarHBondContact O-N 3.24Å
197	L	93.3	Very high	96.1	Very high	17 Å²	17	26.1 Å²	26.1	9%	0.089	13%	0.132	C	C	.	.			trans	-64.4	141.4	176	-56.7	-175.2	0	0	0	109.9	L163 K164 S192 Q195 V199	L163-L197 HydrophobicContact CB-CD1 4.24Å; K164-L197 HydrophobicContact CB-CD1 3.93Å; K164-L197 HydrophobicContact CB-CD2 3.82Å; K164-L197 HydrophobicContact CD-CD2 4.44Å; K164-L197 HydrophobicContact CG-CD2 3.84Å; S192-L197 WeakPolarHBondContact O-CG 3.28Å; S192-L197 PolarHBondContact O-N 3.45Å; Q195-L197 VanDerWaalsContact C-N 3.26Å; Q195-L197 HydrophobicContact CB-CD2 4.05Å; Q195-L197 HydrophobicContact CB-CG 4.1Å; Q195-L197 PolarHBondContact O-N 3.41Å; L197-V199 HydrophobicContact CB-CG2 4.16Å; L197-V199 PolarHBondContact O-N 3.16Å
198	P	91.8	Very high	96	Very high	62 Å²	62	26.2 Å²	26.2	40%	0.403	13%	0.132	S	C	.	.	S	Bend	trans	-78.5	62.2	179.2	34.5	-36.8	0	0	0	111
199	V	94.1	Very high	95.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.137	C	C	.	.			trans	-128.4	128.3	-176.7	179.8	0	0	0	0	109.2	I176 A178 L197 T201 H254	I176-V199 HydrophobicContact CB-CG1 4.29Å; I176-V199 HydrophobicContact CB-CG2 4.2Å; I176-V199 HydrophobicContact CD1-CG2 4.42Å; I176-V199 HydrophobicContact CG2-CB 4.48Å; I176-V199 HydrophobicContact CG2-CG1 3.77Å; I176-V199 HydrophobicContact CG2-CG2 4.05Å; A178-V199 HydrophobicContact CB-CG1 3.61Å; L197-V199 HydrophobicContact CB-CG2 4.16Å; L197-V199 PolarHBondContact O-N 3.16Å; V199-T201 HydrophobicContact CG1-CG2 4.34Å; V199-T201 PolarHBondContact O-N 3.16Å; V199-H254 PolarHBondContact O-CE1 2.89Å
200	A	95.1	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	125.4	171.8	0	0	0	0	0	109.1	I176 I177 A178 A613 L614 T617 F618	I176-A200 PolarHBondContact O-N 3.45Å; I177-A200 CarbonylContact C-O 3.53Å; I177-A200 WeakPolarHBondContact CA-O 3.41Å; I177-A200 HydrophobicContact CG1-CB 4.45Å; A178-A200 PolarHBondContact N-O 3.38Å; A200-A613 HydrophobicContact CB-CB 4.16Å; A200-L614 HydrophobicContact CB-CD2 4.12Å; A200-T617 WeakPolarHBondContact CA-OG1 3.31Å; A200-T617 HydrophobicContact CB-CG2 4.5Å; A200-F618 HydrophobicContact CB-CE2 4.07Å
201	T	97.7	Very high	95.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.9	-172.7	62.1	0	0	0	0	112.7	A178 F180 L189 V199 H254 V255	A178-T201 WeakPolarHBondContact O-CA 3.46Å; F180-T201 HydrophobicContact CE2-CG2 4.33Å; L189-T201 HydrophobicContact CG-CG2 4.47Å; V199-T201 HydrophobicContact CG1-CG2 4.34Å; V199-T201 PolarHBondContact O-N 3.16Å; T201-H254 PolarHBondContact N-ND1 3Å; T201-H254 VanDerWaalsContact N-ND1 3.11Å; T201-H254 WeakPolarHBondContact O-CB 3.24Å; T201-H254 PolarHBondContact O-N 2.75Å; T201-H254 VanDerWaalsContact O-N 3.08Å; T201-H254 PolarHBondContact OG1-N 3.19Å; T201-H254 PolarHBondContact OG1-ND1 3.3Å; T201-V255 PolarHBondContact O-N 3.27Å
202	I	98.6	Very high	94.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.4	176.2	-50.5	167.5	0	0	0	107.9	I177 A178 H179 F180 V255 T257 R610 A613	I177-I202 HydrophobicContact CG2-CD1 3.97Å; A178-I202 PolarHBondContact O-N 2.83Å; H179-I202 HydrophobicContact CB-CB 4.28Å; H179-I202 HydrophobicContact CB-CD1 4.41Å; F180-I202 PolarHBondContact N-O 3.08Å; I202-V255 CarbonylContact C-O 3.6Å; I202-V255 WeakPolarHBondContact CA-O 3.43Å; I202-V255 HydrophobicContact CG1-CB 4.38Å; I202-V255 HydrophobicContact CG2-CB 4.36Å; I202-V255 HydrophobicContact CG2-CG1 4.31Å; I202-T257 HydrophobicContact CG2-CG2 4.18Å; I202-R610 HydrophobicContact CD1-CB 4.31Å; I202-R610 HydrophobicContact CD1-CG 3.81Å; I202-A613 HydrophobicContact CD1-CB 4.07Å; I202-A613 HydrophobicContact CG1-CB 3.62Å
203	F	98.7	Very high	94.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.4	172	-175	-106.1	0	0	0	110.1	F180 E182 L189 S249 V250 A253 V255 F256 T257	F180-F203 HydrophobicContact CB-CD2 4.16Å; F180-F203 WeakPolarHBondContact O-CA 3.47Å; E182-F203 WeakPolarHBondContact O-CE2 3.43Å; L189-F203 HydrophobicContact CD1-CB 3.69Å; L189-F203 HydrophobicContact CD1-CD2 4.15Å; L189-F203 HydrophobicContact CD1-CG 4.32Å; F203-S249 VanDerWaalsContact CE2-CB 3.49Å; F203-V250 HydrophobicContact CD1-CB 4.42Å; F203-V250 HydrophobicContact CD1-CG2 3.61Å; F203-V250 HydrophobicContact CE1-CG2 3.45Å; F203-V250 VanDerWaalsContact CE1-CG2 3.45Å; F203-A253 HydrophobicContact CB-CB 3.59Å; F203-V255 PolarHBondContact N-O 2.71Å; F203-F256 AromaticContact CD1-CD2 3.88Å; F203-F256 HydrophobicContact CD1-CD2 3.88Å; F203-F256 AromaticContact CD1-CE2 3.99Å; F203-F256 HydrophobicContact CD1-CE2 3.99Å; F203-F256 HydrophobicContact CE1-CE2 4.41Å; F203-F256 WeakPolarHBondContact O-CD2 3.45Å; F203-T257 PolarHBondContact O-N 3.16Å
204	T	98.4	Very high	94.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.8	171.7	-56.1	0	0	0	0	110.1	H179 F180 E182 T257 V259	H179-T204 PolarHBondContact NE2-OG1 2.75Å; F180-T204 PolarHBondContact O-N 3.07Å; E182-T204 PolarHBondContact N-O 3.24Å; T204-T257 WeakPolarHBondContact CA-O 3.39Å; T204-T257 WeakPolarHBondContact CB-OG1 3.47Å; T204-T257 WeakPolarHBondContact CG2-OG1 3.46Å; T204-T257 PolarHBondContact OG1-OG1 3.16Å; T204-V259 HydrophobicContact CG2-CG1 4.15Å
205	T	97.6	Very high	94.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.6	164.3	-177.8	0	0	0	0	109.4	A207 F256 T257 T258 L271	T205-A207 PolarHBondContact OG1-O 2.93Å; T205-F256 HydrophobicContact CG2-CE2 3.57Å; T205-F256 HydrophobicContact CG2-CZ 3.7Å; T205-T257 PolarHBondContact N-O 3.03Å; T205-T257 VanDerWaalsContact N-O 3.14Å; T205-T258 HydrophobicContact CG2-CG2 3.65Å; T205-L271 HydrophobicContact CG2-CD1 4.4Å
206	H	95.7	Very high	93.7	Very high	17 Å²	17	28 Å²	28	8%	0.079	14%	0.142	C	C	.	.	S	Bend	trans	-91.5	-22.4	176.6	-69.5	-97.4	0	0	0	111.1	I44 H181 E182 V259 P512	I44-H206 HydrophobicContact CD1-CB 4.39Å; I44-H206 HydrophobicContact CG1-CB 4.31Å; H181-H206 AromaticContact CG-NE2 3.83Å; H181-H206 AromaticContact ND1-NE2 3.15Å; H181-H206 PolarHBondContact ND1-NE2 2.96Å; H181-H206 VanDerWaalsContact ND1-NE2 3.15Å; E182-H206 HydrophobicContact CG-CB 4.49Å; E182-H206 WeakPolarHBondContact OE1-CA 3.47Å; E182-H206 WeakPolarHBondContact OE1-CB 3.43Å; E182-H206 PolarHBondContact OE1-N 2.8Å; H206-V259 HydrophobicContact CB-CG1 4.48Å; H206-V259 WeakPolarHBondContact ND1-CG1 3.37Å; H206-P512 WeakPolarHBondContact O-CB 3.34Å
207	A	94.6	Very high	93.2	Very high	22 Å²	22	21.9 Å²	21.9	18%	0.182	13%	0.126	C	C	.	.	S	Bend	trans	-160.3	149.1	171.7	0	0	0	0	0	108.4	E182 T205 P512	E182-A207 PolarHBondContact OE1-N 3.48Å; T205-A207 PolarHBondContact OG1-O 2.93Å; A207-P512 HydrophobicContact CB-CB 4.22Å; A207-P512 HydrophobicContact CB-CG 3.56Å
208	T	95.4	Very high	92.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	15%	0.151	C	C	.	.			trans	-79.1	144.5	169.6	88.4	0	0	0	0	110.3	L210 G211 R212 E246 E266 A267 L271 Y510	T208-L210 PolarHBondContact O-N 3.41Å; T208-G211 PolarHBondContact OG1-N 2.94Å; T208-R212 PolarHBondContact O-N 3.44Å; T208-E246 WeakPolarHBondContact CA-OE1 3.48Å; T208-E266 VanDerWaalsContact CB-OE1 3.29Å; T208-E266 WeakPolarHBondContact CB-OE1 3.43Å; T208-E266 HydrophobicContact CG2-CB 4.41Å; T208-E266 HydrophobicContact CG2-CG 3.71Å; T208-E266 WeakPolarHBondContact CG2-OE1 3.33Å; T208-E266 PolarHBondContact OG1-OE1 3.26Å; T208-A267 HydrophobicContact CG2-CB 4.44Å; T208-L271 HydrophobicContact CG2-CD1 3.94Å; T208-L271 HydrophobicContact CG2-CG 4.26Å; T208-Y510 PolarHBondContact O-OH 2.9Å
209	L	93.9	Very high	92.2	Very high	22 Å²	22	25 Å²	25	12%	0.115	15%	0.146	C	C	.	.	H	α-helix	trans	-54.7	-54.7	175	-79.7	168.2	0	0	0	110.4	W183 G211 R212 Y213 R242 E246	W183-L209 HydrophobicContact CD2-CD1 4.29Å; W183-L209 HydrophobicContact CG-CD1 4.05Å; L209-G211 PolarHBondContact O-N 3.21Å; L209-R212 PolarHBondContact O-N 2.91Å; L209-Y213 VanDerWaalsContact O-CD2 3.28Å; L209-Y213 WeakPolarHBondContact O-CD2 3.44Å; L209-Y213 PolarHBondContact O-N 2.64Å; L209-R242 HydrophobicContact CD1-CB 3.74Å; L209-R242 WeakPolarHBondContact CD1-O 3.39Å; L209-E246 WeakPolarHBondContact CB-OE2 3.29Å; L209-E246 HydrophobicContact CD1-CB 4.07Å; L209-E246 PolarHBondContact N-OE1 3.4Å; L209-E246 PolarHBondContact N-OE2 2.76Å
210	L	93.2	Very high	92	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-41.4	-174.4	-81.7	170.6	0	0	0	113.5	T208 R212 Y213 L214 I230 E233 A234 I239 Y243 M270	T208-L210 PolarHBondContact O-N 3.41Å; L210-R212 PolarHBondContact O-N 3.44Å; L210-Y213 PolarHBondContact O-N 3.02Å; L210-Y213 VanDerWaalsContact O-N 3.14Å; L210-L214 HydrophobicContact CB-CD1 4.3Å; L210-L214 WeakPolarHBondContact O-CB 3.47Å; L210-L214 VanDerWaalsContact O-CG 3.32Å; L210-L214 WeakPolarHBondContact O-CG 3.03Å; L210-L214 PolarHBondContact O-N 3.07Å; L210-I230 HydrophobicContact CD1-CB 4.32Å; L210-I230 HydrophobicContact CD1-CG2 3.44Å; L210-I230 VanDerWaalsContact CD1-CG2 3.44Å; L210-E233 HydrophobicContact CD2-CB 4.14Å; L210-A234 HydrophobicContact CD1-CB 4.35Å; L210-A234 HydrophobicContact CD2-CB 4.02Å; L210-I239 HydrophobicContact CD2-CD1 4.11Å; L210-Y243 HydrophobicContact CD1-CD2 3.55Å; L210-Y243 HydrophobicContact CD1-CE2 3.67Å; L210-Y243 HydrophobicContact CD1-CG 4.18Å; L210-Y243 HydrophobicContact CG-CD2 4.1Å; L210-M270 HydrophobicContact CB-SD 4.32Å
211	G	92.1	Very high	91.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.2	-38.1	179.2	0	0	0	0	0	112.5	T208 L209 Y213 C215 E266	T208-G211 PolarHBondContact OG1-N 2.94Å; L209-G211 PolarHBondContact O-N 3.21Å; G211-Y213 PolarHBondContact O-N 3.2Å; G211-C215 VanDerWaalsContact O-CB 3.31Å; G211-C215 WeakPolarHBondContact O-CB 3.41Å; G211-C215 PolarHBondContact O-N 3.2Å; G211-C215 PolarHBondContact O-SG 2.76Å; G211-E266 VanDerWaalsContact CA-OE1 3.27Å; G211-E266 WeakPolarHBondContact CA-OE1 3.4Å
212	R	88.6	Confident	91.6	Very high	102 Å²	102	29 Å²	29	39%	0.385	17%	0.166	S	C	.	.	H	α-helix	trans	-63.6	-43.1	176.1	-168.7	173.1	-175.8	-173.3	-5.6	112.4	T208 L209 L210 A216 R332 E334 Y510	T208-R212 PolarHBondContact O-N 3.44Å; L209-R212 PolarHBondContact O-N 2.91Å; L210-R212 PolarHBondContact O-N 3.44Å; R212-A216 WeakPolarHBondContact O-CB 3.18Å; R212-A216 PolarHBondContact O-N 3.26Å; R212-R332 VanDerWaalsContact NH2-NH1 3.2Å; R212-E334 IonicContact CZ-OE1 3.49Å; R212-E334 IonicContact NE-OE1 3.75Å; R212-E334 IonicContact NH2-OE1 2.69Å; R212-E334 PolarHBondContact NH2-OE1 3.44Å; R212-Y510 HydrophobicContact CB-CE1 3.79Å; R212-Y510 HydrophobicContact CG-CE1 4.11Å; R212-Y510 PolarHBondContact N-OH 2.85Å
213	Y	90.3	Very high	91.3	Very high	91 Å²	91	33.2 Å²	33.2	36%	0.357	19%	0.189	S	C	.	.	H	α-helix	trans	-72	-40.3	179.3	-80.8	-88	0	0	0	112.7	L209 L210 G211 A216 A217 I239	L209-Y213 VanDerWaalsContact O-CD2 3.28Å; L209-Y213 WeakPolarHBondContact O-CD2 3.44Å; L209-Y213 PolarHBondContact O-N 2.64Å; L210-Y213 PolarHBondContact O-N 3.02Å; L210-Y213 VanDerWaalsContact O-N 3.14Å; G211-Y213 PolarHBondContact O-N 3.2Å; Y213-A216 PolarHBondContact O-N 2.9Å; Y213-A217 PolarHBondContact O-N 3.1Å; Y213-A217 VanDerWaalsContact O-N 3.16Å; Y213-I239 HydrophobicContact CD2-CD1 3.52Å; Y213-I239 HydrophobicContact CE1-CG2 4.47Å; Y213-I239 HydrophobicContact CE2-CD1 3.73Å; Y213-I239 HydrophobicContact CE2-CG2 4.18Å; Y213-I239 HydrophobicContact CG-CD1 4.03Å
214	L	91.3	Very high	91	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-43.1	179.8	-72.5	167.3	0	0	0	111.3	L210 A216 A217 I219 F221 F228 E233 M270	L210-L214 HydrophobicContact CB-CD1 4.3Å; L210-L214 WeakPolarHBondContact O-CB 3.47Å; L210-L214 VanDerWaalsContact O-CG 3.32Å; L210-L214 WeakPolarHBondContact O-CG 3.03Å; L210-L214 PolarHBondContact O-N 3.07Å; L214-A216 PolarHBondContact O-N 3.32Å; L214-A217 PolarHBondContact O-N 2.68Å; L214-I219 HydrophobicContact CD2-CD1 3.95Å; L214-F221 HydrophobicContact CB-CD2 3.74Å; L214-F221 HydrophobicContact CB-CE2 4.08Å; L214-F221 HydrophobicContact CD1-CD2 3.88Å; L214-F221 HydrophobicContact CD1-CE2 3.6Å; L214-F221 HydrophobicContact CG-CD2 4.45Å; L214-F221 HydrophobicContact CG-CE2 4.48Å; L214-F228 HydrophobicContact CD1-CD1 4.36Å; L214-F228 HydrophobicContact CD1-CD2 4.49Å; L214-F228 HydrophobicContact CD1-CE1 4.44Å; L214-F228 HydrophobicContact CD1-CG 4.39Å; L214-F228 HydrophobicContact CD2-CD1 4.28Å; L214-F228 HydrophobicContact CD2-CE1 4.01Å; L214-E233 HydrophobicContact CD2-CG 4.3Å; L214-E233 WeakPolarHBondContact CD2-OE2 2.85Å; L214-M270 HydrophobicContact CD1-SD 4.42Å
215	C	89.3	Confident	90.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-37.3	175.9	-67.2	0	0	0	0	112.3	G211 A217 S218 F221 N337 Y509 Y510	G211-C215 VanDerWaalsContact O-CB 3.31Å; G211-C215 WeakPolarHBondContact O-CB 3.41Å; G211-C215 PolarHBondContact O-N 3.2Å; G211-C215 PolarHBondContact O-SG 2.76Å; C215-A217 PolarHBondContact O-N 3.45Å; C215-S218 PolarHBondContact O-N 2.65Å; C215-S218 VanDerWaalsContact O-N 3.08Å; C215-F221 WeakPolarHBondContact SG-CD1 3.28Å; C215-F221 VanDerWaalsContact SG-CG 3.56Å; C215-N337 WeakPolarHBondContact CB-OD1 3.48Å; C215-N337 PolarHBondContact O-OD1 3.15Å; C215-Y509 HydrophobicContact CB-CD1 4.29Å; C215-Y509 HydrophobicContact CB-CE1 4.35Å; C215-Y510 HydrophobicContact CB-CD2 4.13Å; C215-Y510 HydrophobicContact CB-CG 3.96Å; C215-Y510 WeakPolarHBondContact SG-CD2 3.47Å
216	A	85.6	Confident	90.4	Very high	65 Å²	65	41.4 Å²	41.4	54%	0.537	23%	0.232	S	C	.	.	H	α-helix	trans	-64.1	-28.9	175.3	0	0	0	0	0	112.8	R212 Y213 L214 S218	R212-A216 WeakPolarHBondContact O-CB 3.18Å; R212-A216 PolarHBondContact O-N 3.26Å; Y213-A216 PolarHBondContact O-N 2.9Å; L214-A216 PolarHBondContact O-N 3.32Å; A216-S218 PolarHBondContact O-N 2.95Å
217	A	81.5	Confident	90.3	Very high	56 Å²	56	46.9 Å²	46.9	46%	0.463	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	4.8	175.3	0	0	0	0	0	113.8	Y213 L214 C215 I219	Y213-A217 PolarHBondContact O-N 3.1Å; Y213-A217 VanDerWaalsContact O-N 3.16Å; L214-A217 PolarHBondContact O-N 2.68Å; C215-A217 PolarHBondContact O-N 3.45Å; A217-I219 HydrophobicContact CB-CD1 3.97Å; A217-I219 HydrophobicContact CB-CG1 4.06Å; A217-I219 PolarHBondContact O-N 2.86Å
218	S	79.2	Confident	90.3	Very high	88 Å²	88	47.1 Å²	47.1	62%	0.615	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	29.8	-178.4	-53.6	0	0	0	0	113.9	C215 A216	C215-S218 PolarHBondContact O-N 2.65Å; C215-S218 VanDerWaalsContact O-N 3.08Å; A216-S218 PolarHBondContact O-N 2.95Å
219	I	85.3	Confident	90.2	Very high	57 Å²	57	51.4 Å²	51.4	29%	0.292	28%	0.278	S	S	.	.			trans	-81.6	144.6	172.6	-59.7	170	0	0	0	108.3	L214 A217 F221 F228	L214-I219 HydrophobicContact CD2-CD1 3.95Å; A217-I219 HydrophobicContact CB-CD1 3.97Å; A217-I219 HydrophobicContact CB-CG1 4.06Å; A217-I219 PolarHBondContact O-N 2.86Å; I219-F221 PolarHBondContact O-N 3.16Å; I219-F228 HydrophobicContact CG2-CE1 3.98Å; I219-F228 HydrophobicContact CG2-CZ 3.8Å
220	D	89.1	Confident	90.3	Very high	71 Å²	71	50.8 Å²	50.8	38%	0.38	27%	0.274	S	S	.	.			trans	-68.9	94.7	170.3	-173	8.1	0	0	0	110	N223 N224 Y509	D220-N223 VanDerWaalsContact CG-ND2 3.31Å; D220-N223 PolarHBondContact OD1-ND2 2.88Å; D220-N223 WeakPolarHBondContact OD2-CB 3.31Å; D220-N223 PolarHBondContact OD2-ND2 3.32Å; D220-N224 PolarHBondContact O-ND2 3.3Å; D220-Y509 PolarHBondContact OD1-OH 2.82Å
221	F	92.1	Very high	90.3	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.			trans	-80.5	-57.6	-168.2	179.2	-118.8	0	0	0	112.2	L214 C215 I219 N223 N224 L225 F228 E266 M270 Y509 Y510	L214-F221 HydrophobicContact CB-CD2 3.74Å; L214-F221 HydrophobicContact CB-CE2 4.08Å; L214-F221 HydrophobicContact CD1-CD2 3.88Å; L214-F221 HydrophobicContact CD1-CE2 3.6Å; L214-F221 HydrophobicContact CG-CD2 4.45Å; L214-F221 HydrophobicContact CG-CE2 4.48Å; C215-F221 WeakPolarHBondContact SG-CD1 3.28Å; C215-F221 VanDerWaalsContact SG-CG 3.56Å; I219-F221 PolarHBondContact O-N 3.16Å; F221-N223 VanDerWaalsContact C-N 3.28Å; F221-N223 PolarHBondContact O-N 3.46Å; F221-N224 PolarHBondContact O-N 3.25Å; F221-L225 HydrophobicContact CD1-CD2 4.12Å; F221-L225 HydrophobicContact CD2-CD2 4.09Å; F221-L225 HydrophobicContact CE1-CD2 3.79Å; F221-L225 HydrophobicContact CE2-CD2 3.72Å; F221-L225 HydrophobicContact CG-CD2 4.27Å; F221-L225 HydrophobicContact CZ-CD2 3.58Å; F221-L225 WeakPolarHBondContact O-CD2 3.36Å; F221-L225 PolarHBondContact O-N 2.95Å; F221-F228 AromaticContact CD2-CE2 3.92Å; F221-F228 HydrophobicContact CD2-CE2 3.92Å; F221-F228 HydrophobicContact CD2-CZ 4.36Å; F221-F228 HydrophobicContact CE2-CE2 4.45Å; F221-E266 HydrophobicContact CE1-CG 3.93Å; F221-E266 HydrophobicContact CZ-CG 3.76Å; F221-M270 HydrophobicContact CE2-CE 4.26Å; F221-M270 HydrophobicContact CE2-SD 4.3Å; F221-M270 HydrophobicContact CZ-CG 4.42Å; F221-Y509 HydrophobicContact CB-CE1 4.29Å; F221-Y509 PolarHBondContact N-OH 2.99Å; F221-Y510 HydrophobicContact CE1-CE2 4.27Å
222	Y	92.4	Very high	90.5	Very high	14 Å²	14	59.3 Å²	59.3	6%	0.055	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-21.8	-170.3	-70.4	-75	0	0	0	114.6	L225 I262 Y509 L532	Y222-L225 HydrophobicContact CD1-CD1 4.34Å; Y222-I262 HydrophobicContact CD1-CD1 3.82Å; Y222-I262 HydrophobicContact CD1-CG1 4.29Å; Y222-I262 HydrophobicContact CE1-CD1 3.56Å; Y222-I262 HydrophobicContact CE1-CG1 3.52Å; Y222-Y509 HydrophobicContact CD2-CE2 4.3Å; Y222-Y509 VanDerWaalsContact CE2-O 3.28Å; Y222-Y509 WeakPolarHBondContact CE2-O 3.5Å; Y222-L532 HydrophobicContact CD1-CD2 4.15Å; Y222-L532 HydrophobicContact CD2-CD1 3.82Å; Y222-L532 HydrophobicContact CD2-CD2 3.63Å; Y222-L532 HydrophobicContact CD2-CG 4.26Å; Y222-L532 HydrophobicContact CE1-CD2 4.41Å; Y222-L532 HydrophobicContact CE2-CB 4.31Å; Y222-L532 HydrophobicContact CE2-CD1 4.04Å; Y222-L532 HydrophobicContact CE2-CD2 3.91Å; Y222-L532 HydrophobicContact CE2-CG 4.32Å; Y222-L532 HydrophobicContact CG-CD2 3.73Å
223	N	92.1	Very high	90.8	Very high	89 Å²	89	56 Å²	56	48%	0.476	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-14.9	177.7	-65.4	-37.5	0	0	0	113.4	D220 F221	D220-N223 VanDerWaalsContact CG-ND2 3.31Å; D220-N223 PolarHBondContact OD1-ND2 2.88Å; D220-N223 WeakPolarHBondContact OD2-CB 3.31Å; D220-N223 PolarHBondContact OD2-ND2 3.32Å; F221-N223 VanDerWaalsContact C-N 3.28Å; F221-N223 PolarHBondContact O-N 3.46Å
224	N	93.3	Very high	91	Very high	43 Å²	43	51.6 Å²	51.6	23%	0.23	29%	0.286	C	S	.	.	S	Bend	trans	-124.2	21.1	-173.2	-58.4	-58.4	0	0	0	112.6	D220 F221 D226 Q227 F228	D220-N224 PolarHBondContact O-ND2 3.3Å; F221-N224 PolarHBondContact O-N 3.25Å; N224-D226 PolarHBondContact O-N 2.94Å; N224-D226 VanDerWaalsContact O-N 3.12Å; N224-Q227 HydrophobicContact CB-CB 4.34Å; N224-Q227 PolarHBondContact O-N 3.09Å; N224-Q227 PolarHBondContact OD1-NE2 2.98Å; N224-Q227 VanDerWaalsContact OD1-NE2 3.14Å; N224-Q227 PolarHBondContact OD1-OE1 2.89Å; N224-F228 HydrophobicContact CB-CE2 3.98Å; N224-F228 HydrophobicContact CB-CZ 4.2Å; N224-F228 WeakPolarHBondContact O-CD2 3.24Å; N224-F228 VanDerWaalsContact O-CE2 3.25Å; N224-F228 WeakPolarHBondContact O-CE2 3.36Å
225	L	92.5	Very high	91.2	Very high	10 Å²	10	52.9 Å²	52.9	5%	0.052	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.4	-175.1	-69.2	175.8	0	0	0	113.5	F221 Y222 I265 H269 M270	F221-L225 HydrophobicContact CD1-CD2 4.12Å; F221-L225 HydrophobicContact CD2-CD2 4.09Å; F221-L225 HydrophobicContact CE1-CD2 3.79Å; F221-L225 HydrophobicContact CE2-CD2 3.72Å; F221-L225 HydrophobicContact CG-CD2 4.27Å; F221-L225 HydrophobicContact CZ-CD2 3.58Å; F221-L225 WeakPolarHBondContact O-CD2 3.36Å; F221-L225 PolarHBondContact O-N 2.95Å; Y222-L225 HydrophobicContact CD1-CD1 4.34Å; L225-I265 HydrophobicContact CD1-CG2 3.87Å; L225-H269 HydrophobicContact CB-CB 4.05Å; L225-M270 HydrophobicContact CD2-CE 4.05Å; L225-M270 WeakPolarHBondContact O-CE 3.4Å
226	D	91.7	Very high	91.4	Very high	119 Å²	119	58.6 Å²	58.6	64%	0.636	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-17.5	179.2	62.2	-40	0	0	0	113.9	N224	N224-D226 PolarHBondContact O-N 2.94Å; N224-D226 VanDerWaalsContact O-N 3.12Å
227	Q	93.6	Very high	91.8	Very high	131 Å²	131	58.4 Å²	58.4	61%	0.612	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-13.5	-174.6	-61.9	173.3	37	0	0	113.6	N224 D229	N224-Q227 HydrophobicContact CB-CB 4.34Å; N224-Q227 PolarHBondContact O-N 3.09Å; N224-Q227 PolarHBondContact OD1-NE2 2.98Å; N224-Q227 VanDerWaalsContact OD1-NE2 3.14Å; N224-Q227 PolarHBondContact OD1-OE1 2.89Å; Q227-D229 PolarHBondContact O-N 2.83Å
228	F	93.3	Very high	92.4	Very high	28 Å²	28	62.7 Å²	62.7	12%	0.123	32%	0.322	C	S	.	.			trans	-73.5	128.2	-178.5	-69.4	-69.4	0	0	0	112.4	L214 I219 F221 N224 I230 E233 M270	L214-F228 HydrophobicContact CD1-CD1 4.36Å; L214-F228 HydrophobicContact CD1-CD2 4.49Å; L214-F228 HydrophobicContact CD1-CE1 4.44Å; L214-F228 HydrophobicContact CD1-CG 4.39Å; L214-F228 HydrophobicContact CD2-CD1 4.28Å; L214-F228 HydrophobicContact CD2-CE1 4.01Å; I219-F228 HydrophobicContact CG2-CE1 3.98Å; I219-F228 HydrophobicContact CG2-CZ 3.8Å; F221-F228 AromaticContact CD2-CE2 3.92Å; F221-F228 HydrophobicContact CD2-CE2 3.92Å; F221-F228 HydrophobicContact CD2-CZ 4.36Å; F221-F228 HydrophobicContact CE2-CE2 4.45Å; N224-F228 HydrophobicContact CB-CE2 3.98Å; N224-F228 HydrophobicContact CB-CZ 4.2Å; N224-F228 WeakPolarHBondContact O-CD2 3.24Å; N224-F228 VanDerWaalsContact O-CE2 3.25Å; N224-F228 WeakPolarHBondContact O-CE2 3.36Å; F228-I230 PolarHBondContact O-N 3.22Å; F228-E233 HydrophobicContact CD1-CG 4.18Å; F228-M270 HydrophobicContact CB-CE 4.32Å; F228-M270 HydrophobicContact CD2-CE 4.02Å
229	D	94.6	Very high	93.2	Very high	91 Å²	91	58.9 Å²	58.9	49%	0.487	29%	0.294	S	S	.	.			trans	-80.6	93.8	163.1	-176.9	-14.5	0	0	0	109.1	Q227 D231 K232 E233	Q227-D229 PolarHBondContact O-N 2.83Å; D229-D231 VanDerWaalsContact C-N 3.34Å; D229-D231 PolarHBondContact O-N 3.08Å; D229-D231 PolarHBondContact OD1-N 3.28Å; D229-K232 HydrophobicContact CB-CB 3.95Å; D229-K232 VanDerWaalsContact CG-CB 3.48Å; D229-K232 WeakPolarHBondContact O-CB 3.46Å; D229-K232 PolarHBondContact O-N 3.38Å; D229-K232 PolarHBondContact OD1-N 3.43Å; D229-E233 VanDerWaalsContact O-CG 3.28Å; D229-E233 WeakPolarHBondContact O-CG 3.37Å; D229-E233 PolarHBondContact O-N 2.84Å
230	I	94.7	Very high	93.8	Very high	8 Å²	8	61.3 Å²	61.3	4%	0.041	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-40.4	-169.9	-72	154.1	0	0	0	113.1	L210 F228 E233 A234 Y243 H269 M270 K272	L210-I230 HydrophobicContact CD1-CB 4.32Å; L210-I230 HydrophobicContact CD1-CG2 3.44Å; L210-I230 VanDerWaalsContact CD1-CG2 3.44Å; F228-I230 PolarHBondContact O-N 3.22Å; I230-E233 PolarHBondContact O-N 3.15Å; I230-A234 WeakPolarHBondContact O-CB 3.22Å; I230-A234 PolarHBondContact O-N 2.76Å; I230-Y243 HydrophobicContact CG2-CD1 4.43Å; I230-Y243 HydrophobicContact CG2-CD2 4.35Å; I230-Y243 HydrophobicContact CG2-CE1 3.6Å; I230-Y243 HydrophobicContact CG2-CE2 3.49Å; I230-Y243 VanDerWaalsContact CG2-CE2 3.49Å; I230-Y243 WeakPolarHBondContact CG2-OH 3.19Å; I230-H269 WeakPolarHBondContact CD1-O 3.45Å; I230-M270 HydrophobicContact CD1-SD 4.43Å; I230-M270 HydrophobicContact CG1-CE 4.47Å; I230-M270 HydrophobicContact CG1-SD 3.99Å; I230-K272 HydrophobicContact CD1-CD 4.49Å; I230-K272 VanDerWaalsContact CD1-NZ 3.27Å
231	D	94.4	Very high	94.1	Very high	68 Å²	68	58.8 Å²	58.8	36%	0.364	29%	0.286	S	S	.	.	H	α-helix	trans	-68.8	-40.6	-178.9	-65.9	-42.3	0	0	0	110.1	D229 G235 Y240 R247	D229-D231 VanDerWaalsContact C-N 3.34Å; D229-D231 PolarHBondContact O-N 3.08Å; D229-D231 PolarHBondContact OD1-N 3.28Å; D231-G235 PolarHBondContact O-N 3.02Å; D231-Y240 HydrophobicContact CB-CE2 3.85Å; D231-R247 IonicContact OD1-NH1 3Å
232	K	95.6	Very high	94.4	Very high	113 Å²	113	60.5 Å²	60.5	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-63.7	-49.1	173.2	-177.6	-176.8	170.9	-171.3	0	111.9	D229 A234 G235 E236	D229-K232 HydrophobicContact CB-CB 3.95Å; D229-K232 VanDerWaalsContact CG-CB 3.48Å; D229-K232 WeakPolarHBondContact O-CB 3.46Å; D229-K232 PolarHBondContact O-N 3.38Å; D229-K232 PolarHBondContact OD1-N 3.43Å; K232-A234 VanDerWaalsContact C-N 3.28Å; K232-A234 PolarHBondContact O-N 3.11Å; K232-G235 PolarHBondContact O-N 3.35Å; K232-G235 VanDerWaalsContact O-N 3.16Å; K232-E236 WeakPolarHBondContact CE-OE1 3.27Å; K232-E236 HydrophobicContact CG-CG 4.31Å; K232-E236 IonicContact NZ-OE1 3.18Å; K232-E236 WeakPolarHBondContact O-CG 3.49Å; K232-E236 PolarHBondContact O-N 3.17Å
233	E	94.8	Very high	94.6	Very high	31 Å²	31	59.9 Å²	59.9	15%	0.145	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-38	-179	-68.1	-64.2	154.6	0	0	111.9	L210 L214 F228 D229 I230 R237	L210-E233 HydrophobicContact CD2-CB 4.14Å; L214-E233 HydrophobicContact CD2-CG 4.3Å; L214-E233 WeakPolarHBondContact CD2-OE2 2.85Å; F228-E233 HydrophobicContact CD1-CG 4.18Å; D229-E233 VanDerWaalsContact O-CG 3.28Å; D229-E233 WeakPolarHBondContact O-CG 3.37Å; D229-E233 PolarHBondContact O-N 2.84Å; I230-E233 PolarHBondContact O-N 3.15Å; E233-R237 PolarHBondContact O-N 3.01Å; E233-R237 PolarHBondContact O-NH1 2.94Å; E233-R237 IonicContact OE2-CZ 2.86Å; E233-R237 IonicContact OE2-NH1 3.79Å; E233-R237 PolarHBondContact OE2-NH1 3.46Å; E233-R237 IonicContact OE2-NH2 3.78Å; E233-R237 PolarHBondContact OE2-NH2 3.3Å
234	A	95.1	Very high	94.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-72.1	-38.5	175.6	0	0	0	0	0	112.5	L210 I230 K232 Q238 I239 Y240 Y243	L210-A234 HydrophobicContact CD1-CB 4.35Å; L210-A234 HydrophobicContact CD2-CB 4.02Å; I230-A234 WeakPolarHBondContact O-CB 3.22Å; I230-A234 PolarHBondContact O-N 2.76Å; K232-A234 VanDerWaalsContact C-N 3.28Å; K232-A234 PolarHBondContact O-N 3.11Å; A234-Q238 PolarHBondContact O-N 2.86Å; A234-I239 HydrophobicContact CB-CG1 4.29Å; A234-I239 WeakPolarHBondContact O-CG1 3.03Å; A234-I239 PolarHBondContact O-N 2.87Å; A234-Y240 HydrophobicContact CB-CD2 4.1Å; A234-Y240 PolarHBondContact O-N 3.45Å; A234-Y243 HydrophobicContact CB-CD1 4.13Å; A234-Y243 HydrophobicContact CB-CG 4.04Å
235	G	94.8	Very high	95.1	Very high	27 Å²	27	54.6 Å²	54.6	28%	0.278	26%	0.264	S	S	.	.	H	α-helix	trans	-64.6	-48.2	176	0	0	0	0	0	113.2	D231 K232 R237 Q238	D231-G235 PolarHBondContact O-N 3.02Å; K232-G235 PolarHBondContact O-N 3.35Å; K232-G235 VanDerWaalsContact O-N 3.16Å; G235-R237 PolarHBondContact O-N 3.45Å; G235-Q238 PolarHBondContact O-N 3.47Å; G235-Q238 PolarHBondContact O-NE2 3.24Å
236	E	94.4	Very high	95.3	Very high	122 Å²	122	54.1 Å²	54.1	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-60.5	-30.5	179	-73.5	-177	171.8	0	0	112.4	K232	K232-E236 WeakPolarHBondContact CE-OE1 3.27Å; K232-E236 HydrophobicContact CG-CG 4.31Å; K232-E236 IonicContact NZ-OE1 3.18Å; K232-E236 WeakPolarHBondContact O-CG 3.49Å; K232-E236 PolarHBondContact O-N 3.17Å
237	R	93.4	Very high	95.6	Very high	61 Å²	61	52.1 Å²	52.1	23%	0.23	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	2.8	177.8	-71.1	171.4	-174.1	71.1	-2.8	114.4	E233 G235 I239	E233-R237 PolarHBondContact O-N 3.01Å; E233-R237 PolarHBondContact O-NH1 2.94Å; E233-R237 IonicContact OE2-CZ 2.86Å; E233-R237 IonicContact OE2-NH1 3.79Å; E233-R237 PolarHBondContact OE2-NH1 3.46Å; E233-R237 IonicContact OE2-NH2 3.78Å; E233-R237 PolarHBondContact OE2-NH2 3.3Å; G235-R237 PolarHBondContact O-N 3.45Å; R237-I239 HydrophobicContact CB-CD1 4.29Å; R237-I239 HydrophobicContact CB-CG1 4Å; R237-I239 PolarHBondContact O-N 3.14Å
238	Q	94.2	Very high	95.8	Very high	146 Å²	146	47 Å²	47	68%	0.682	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	31.8	-179.5	-56	-66.4	-65.5	0	0	113.5	A234 G235	A234-Q238 PolarHBondContact O-N 2.86Å; G235-Q238 PolarHBondContact O-N 3.47Å; G235-Q238 PolarHBondContact O-NE2 3.24Å
239	I	95.8	Very high	96	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.036	22%	0.219	C	C	.	.			trans	-118.1	10.7	177.7	61.5	171.4	0	0	0	112.6	L210 Y213 A234 R237 H241 R242 Y243	L210-I239 HydrophobicContact CD2-CD1 4.11Å; Y213-I239 HydrophobicContact CD2-CD1 3.52Å; Y213-I239 HydrophobicContact CE1-CG2 4.47Å; Y213-I239 HydrophobicContact CE2-CD1 3.73Å; Y213-I239 HydrophobicContact CE2-CG2 4.18Å; Y213-I239 HydrophobicContact CG-CD1 4.03Å; A234-I239 HydrophobicContact CB-CG1 4.29Å; A234-I239 WeakPolarHBondContact O-CG1 3.03Å; A234-I239 PolarHBondContact O-N 2.87Å; R237-I239 HydrophobicContact CB-CD1 4.29Å; R237-I239 HydrophobicContact CB-CG1 4Å; R237-I239 PolarHBondContact O-N 3.14Å; I239-H241 VanDerWaalsContact C-N 3.32Å; I239-H241 PolarHBondContact O-N 3.3Å; I239-R242 WeakPolarHBondContact O-CB 3.36Å; I239-R242 PolarHBondContact O-N 2.92Å; I239-Y243 PolarHBondContact O-N 3.36Å
240	Y	97.1	Very high	96.2	Very high	109 Å²	109	41.3 Å²	41.3	43%	0.427	20%	0.195	S	C	.	.	H	α-helix	trans	-52	-45.9	-175	-173.9	-103.3	0	0	0	113.2	D231 A234 R242 Y243 C244	D231-Y240 HydrophobicContact CB-CE2 3.85Å; A234-Y240 HydrophobicContact CB-CD2 4.1Å; A234-Y240 PolarHBondContact O-N 3.45Å; Y240-R242 PolarHBondContact O-N 3.45Å; Y240-Y243 PolarHBondContact O-N 2.94Å; Y240-C244 VanDerWaalsContact CE1-SG 3.59Å; Y240-C244 WeakPolarHBondContact O-CB 3.38Å; Y240-C244 PolarHBondContact O-N 3.5Å; Y240-C244 PolarHBondContact O-SG 3.23Å
241	H	96.6	Very high	96.3	Very high	17 Å²	17	45.3 Å²	45.3	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-39.8	177.7	56.5	-71.1	0	0	0	112.8	G141 D146 I239 C244 M245	G141-H241 WeakPolarHBondContact O-CB 3.25Å; D146-H241 IonicContact OD2-CD2 2.65Å; D146-H241 IonicContact OD2-CE1 2.68Å; D146-H241 IonicContact OD2-NE2 2.64Å; D146-H241 PolarHBondContact OD2-NE2 3.43Å; I239-H241 VanDerWaalsContact C-N 3.32Å; I239-H241 PolarHBondContact O-N 3.3Å; H241-C244 PolarHBondContact O-N 3.14Å; H241-M245 WeakPolarHBondContact O-CG 3.02Å; H241-M245 PolarHBondContact O-N 2.85Å
242	R	97.6	Very high	96.5	Very high	37 Å²	37	44 Å²	44	14%	0.14	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-43	176.5	-56.8	-179.3	179.3	-152.3	-8.7	111.3	D146 E148 W183 L209 I239 Y240 M245 E246	D146-R242 VanDerWaalsContact CG-NH2 3.28Å; D146-R242 IonicContact OD1-CZ 3.62Å; D146-R242 IonicContact OD1-NE 3.2Å; D146-R242 IonicContact OD1-NH2 2.78Å; D146-R242 PolarHBondContact OD1-NH2 3.26Å; D146-R242 IonicContact OD2-CZ 3.76Å; D146-R242 VanDerWaalsContact OD2-CZ 3.3Å; D146-R242 IonicContact OD2-NE 3.99Å; D146-R242 PolarHBondContact OD2-NE 3.03Å; D146-R242 IonicContact OD2-NH2 3.87Å; D146-R242 PolarHBondContact OD2-NH2 2.96Å; E148-R242 IonicContact OE2-CZ 3.11Å; E148-R242 IonicContact OE2-NH1 3.96Å; E148-R242 PolarHBondContact OE2-NH1 3.2Å; E148-R242 IonicContact OE2-NH2 3.79Å; E148-R242 PolarHBondContact OE2-NH2 2.83Å; W183-R242 HydrophobicContact CE3-CB 4.35Å; W183-R242 HydrophobicContact CH2-CB 4.31Å; W183-R242 HydrophobicContact CH2-CG 3.86Å; W183-R242 HydrophobicContact CZ2-CG 4.39Å; W183-R242 HydrophobicContact CZ3-CB 4.19Å; W183-R242 HydrophobicContact CZ3-CG 3.99Å; L209-R242 HydrophobicContact CD1-CB 3.74Å; L209-R242 WeakPolarHBondContact CD1-O 3.39Å; I239-R242 WeakPolarHBondContact O-CB 3.36Å; I239-R242 PolarHBondContact O-N 2.92Å; Y240-R242 PolarHBondContact O-N 3.45Å; R242-M245 WeakPolarHBondContact O-CB 2.99Å; R242-M245 PolarHBondContact O-N 3.28Å; R242-E246 PolarHBondContact O-N 2.76Å
243	Y	97.2	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-45.7	173.8	166.7	-102.6	0	0	0	111.4	L210 I230 A234 I239 Y240 M245 E246 R247 M270 L271	L210-Y243 HydrophobicContact CD1-CD2 3.55Å; L210-Y243 HydrophobicContact CD1-CE2 3.67Å; L210-Y243 HydrophobicContact CD1-CG 4.18Å; L210-Y243 HydrophobicContact CG-CD2 4.1Å; I230-Y243 HydrophobicContact CG2-CD1 4.43Å; I230-Y243 HydrophobicContact CG2-CD2 4.35Å; I230-Y243 HydrophobicContact CG2-CE1 3.6Å; I230-Y243 HydrophobicContact CG2-CE2 3.49Å; I230-Y243 VanDerWaalsContact CG2-CE2 3.49Å; I230-Y243 WeakPolarHBondContact CG2-OH 3.19Å; A234-Y243 HydrophobicContact CB-CD1 4.13Å; A234-Y243 HydrophobicContact CB-CG 4.04Å; I239-Y243 PolarHBondContact O-N 3.36Å; Y240-Y243 PolarHBondContact O-N 2.94Å; Y243-M245 VanDerWaalsContact C-N 3.31Å; Y243-M245 PolarHBondContact O-N 3.21Å; Y243-E246 WeakPolarHBondContact O-CB 3.43Å; Y243-E246 PolarHBondContact O-N 3.36Å; Y243-R247 WeakPolarHBondContact O-CB 3.36Å; Y243-R247 PolarHBondContact O-N 3.2Å; Y243-R247 WeakPolarHBondContact OH-CD 3.29Å; Y243-R247 PolarHBondContact OH-NH1 3.14Å; Y243-M270 WeakPolarHBondContact CE2-O 3.23Å; Y243-M270 PolarHBondContact OH-O 3.12Å; Y243-L271 HydrophobicContact CD2-CD2 4.49Å; Y243-L271 HydrophobicContact CE2-CD2 3.98Å
244	C	97.5	Very high	96.6	Very high	21 Å²	21	38.6 Å²	38.6	14%	0.142	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-39.5	176.2	-70.2	0	0	0	0	112	I140 Y240 H241 A248	I140-C244 HydrophobicContact CD1-CB 3.88Å; I140-C244 WeakPolarHBondContact CD1-O 3.26Å; I140-C244 HydrophobicContact CG1-CB 3.91Å; I140-C244 HydrophobicContact CG2-CB 3.92Å; Y240-C244 VanDerWaalsContact CE1-SG 3.59Å; Y240-C244 WeakPolarHBondContact O-CB 3.38Å; Y240-C244 PolarHBondContact O-N 3.5Å; Y240-C244 PolarHBondContact O-SG 3.23Å; H241-C244 PolarHBondContact O-N 3.14Å; C244-A248 WeakPolarHBondContact O-CB 3.46Å; C244-A248 PolarHBondContact O-N 3.2Å
245	M	97.7	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-49.2	174.5	-67	163.4	79.2	0	0	111	F134 I140 I142 A149 A152 V153 W183 V187 H241 R242 Y243 A248 S249	F134-M245 HydrophobicContact CE1-CG 4.21Å; F134-M245 HydrophobicContact CZ-CG 4.21Å; I140-M245 HydrophobicContact CG2-CG 4.2Å; I142-M245 HydrophobicContact CD1-CE 4.42Å; I142-M245 HydrophobicContact CD1-CG 4.29Å; I142-M245 HydrophobicContact CD1-SD 3.64Å; A149-M245 HydrophobicContact CB-SD 4.36Å; A152-M245 HydrophobicContact CB-CE 3.99Å; V153-M245 HydrophobicContact CG2-CE 4.41Å; W183-M245 HydrophobicContact CE3-CB 4.38Å; W183-M245 HydrophobicContact CE3-CE 4.06Å; W183-M245 HydrophobicContact CE3-SD 4.12Å; W183-M245 HydrophobicContact CZ3-CE 4.01Å; W183-M245 HydrophobicContact CZ3-SD 4.01Å; V187-M245 HydrophobicContact CG2-CE 3.21Å; H241-M245 WeakPolarHBondContact O-CG 3.02Å; H241-M245 PolarHBondContact O-N 2.85Å; R242-M245 WeakPolarHBondContact O-CB 2.99Å; R242-M245 PolarHBondContact O-N 3.28Å; Y243-M245 VanDerWaalsContact C-N 3.31Å; Y243-M245 PolarHBondContact O-N 3.21Å; M245-A248 PolarHBondContact O-N 3.29Å; M245-S249 PolarHBondContact O-N 3.06Å; M245-S249 PolarHBondContact O-OG 2.88Å
246	E	98.1	Very high	96.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-56.7	-52.6	177	-176.1	178.9	-125.8	0	0	111.6	W183 T208 L209 R242 Y243 A248 S249 V250 L271	W183-E246 HydrophobicContact CB-CB 3.7Å; W183-E246 HydrophobicContact CB-CG 4.2Å; T208-E246 WeakPolarHBondContact CA-OE1 3.48Å; L209-E246 WeakPolarHBondContact CB-OE2 3.29Å; L209-E246 HydrophobicContact CD1-CB 4.07Å; L209-E246 PolarHBondContact N-OE1 3.4Å; L209-E246 PolarHBondContact N-OE2 2.76Å; R242-E246 PolarHBondContact O-N 2.76Å; Y243-E246 WeakPolarHBondContact O-CB 3.43Å; Y243-E246 PolarHBondContact O-N 3.36Å; E246-A248 PolarHBondContact O-N 3.27Å; E246-S249 PolarHBondContact O-N 2.48Å; E246-V250 WeakPolarHBondContact O-CG2 3.44Å; E246-V250 PolarHBondContact O-N 3.2Å; E246-L271 HydrophobicContact CG-CD1 4.21Å; E246-L271 HydrophobicContact CG-CD2 3.91Å; E246-L271 WeakPolarHBondContact OE2-CD2 3.38Å
247	R	97.8	Very high	97.1	Very high	77 Å²	77	31.5 Å²	31.5	29%	0.291	15%	0.146	S	C	.	.	H	α-helix	trans	-61.2	-44.1	178.9	-170.8	-173.6	-173.6	170.7	-13.2	111.6	D231 Y243 S249 V250 H251 L271	D231-R247 IonicContact OD1-NH1 3Å; Y243-R247 WeakPolarHBondContact O-CB 3.36Å; Y243-R247 PolarHBondContact O-N 3.2Å; Y243-R247 WeakPolarHBondContact OH-CD 3.29Å; Y243-R247 PolarHBondContact OH-NH1 3.14Å; R247-S249 VanDerWaalsContact C-N 3.34Å; R247-S249 PolarHBondContact O-N 2.85Å; R247-V250 WeakPolarHBondContact O-CB 3.42Å; R247-V250 PolarHBondContact O-N 3.12Å; R247-H251 PolarHBondContact O-CD2 3.24Å; R247-H251 PolarHBondContact O-N 3.4Å; R247-L271 HydrophobicContact CB-CD2 4.46Å
248	A	97.8	Very high	97.3	Very high	22 Å²	22	28.6 Å²	28.6	18%	0.182	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-41.6	178.1	0	0	0	0	0	111.5	I140 I190 C244 M245 E246 V250 H251 C252	I140-A248 HydrophobicContact CD1-CB 3.79Å; I190-A248 HydrophobicContact CD1-CB 3.56Å; I190-A248 HydrophobicContact CG1-CB 4.12Å; C244-A248 WeakPolarHBondContact O-CB 3.46Å; C244-A248 PolarHBondContact O-N 3.2Å; M245-A248 PolarHBondContact O-N 3.29Å; E246-A248 PolarHBondContact O-N 3.27Å; A248-V250 VanDerWaalsContact C-N 3.34Å; A248-V250 PolarHBondContact O-N 3.25Å; A248-H251 PolarHBondContact O-N 2.97Å; A248-C252 VanDerWaalsContact O-CB 3.3Å; A248-C252 WeakPolarHBondContact O-CB 3.5Å; A248-C252 PolarHBondContact O-N 2.97Å; A248-C252 PolarHBondContact O-SG 3.2Å
249	S	97.8	Very high	97.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61	-42.7	175.1	-59.5	0	0	0	0	112.4	G186 F203 M245 E246 R247 A253	G186-S249 WeakPolarHBondContact CA-OG 3.46Å; G186-S249 PolarHBondContact O-OG 3.04Å; F203-S249 VanDerWaalsContact CE2-CB 3.49Å; M245-S249 PolarHBondContact O-N 3.06Å; M245-S249 PolarHBondContact O-OG 2.88Å; E246-S249 PolarHBondContact O-N 2.48Å; R247-S249 VanDerWaalsContact C-N 3.34Å; R247-S249 PolarHBondContact O-N 2.85Å; S249-A253 WeakPolarHBondContact O-CB 3.38Å; S249-A253 PolarHBondContact O-N 2.63Å
250	V	97.7	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.7	-47.2	174.1	169	0	0	0	0	111.5	F203 E246 R247 A248 F256 L271 R273	F203-V250 HydrophobicContact CD1-CB 4.42Å; F203-V250 HydrophobicContact CD1-CG2 3.61Å; F203-V250 HydrophobicContact CE1-CG2 3.45Å; F203-V250 VanDerWaalsContact CE1-CG2 3.45Å; E246-V250 WeakPolarHBondContact O-CG2 3.44Å; E246-V250 PolarHBondContact O-N 3.2Å; R247-V250 WeakPolarHBondContact O-CB 3.42Å; R247-V250 PolarHBondContact O-N 3.12Å; A248-V250 VanDerWaalsContact C-N 3.34Å; A248-V250 PolarHBondContact O-N 3.25Å; V250-F256 HydrophobicContact CB-CD2 4.4Å; V250-F256 HydrophobicContact CB-CE2 4.4Å; V250-F256 HydrophobicContact CG1-CD1 3.71Å; V250-F256 HydrophobicContact CG1-CD2 4.03Å; V250-F256 HydrophobicContact CG1-CE1 3.81Å; V250-F256 HydrophobicContact CG1-CE2 4.11Å; V250-F256 HydrophobicContact CG1-CG 3.85Å; V250-F256 HydrophobicContact CG1-CZ 4.02Å; V250-F256 HydrophobicContact CG2-CD2 3.93Å; V250-F256 HydrophobicContact CG2-CE2 3.55Å; V250-F256 HydrophobicContact CG2-CZ 3.88Å; V250-L271 HydrophobicContact CG1-CB 4.34Å; V250-L271 HydrophobicContact CG2-CB 4.35Å; V250-L271 HydrophobicContact CG2-CD1 3.73Å; V250-R273 HydrophobicContact CG1-CB 3.62Å; V250-R273 HydrophobicContact CG1-CG 4.11Å; V250-R273 WeakPolarHBondContact O-CD 3.42Å; V250-R273 PolarHBondContact O-NH1 3.44Å
251	H	97.8	Very high	97.1	Very high	93 Å²	93	20.9 Å²	20.9	43%	0.431	10%	0.104	S	C	.	.	H	α-helix	trans	-76.4	-28.8	-176.4	-79.7	-96.2	0	0	0	113.4	R247 A248 L271 K272	R247-H251 PolarHBondContact O-CD2 3.24Å; R247-H251 PolarHBondContact O-N 3.4Å; A248-H251 PolarHBondContact O-N 2.97Å; H251-L271 PolarHBondContact NE2-O 3.42Å; H251-K272 PolarHBondContact CE1-O 3.13Å; H251-K272 VanDerWaalsContact CE1-O 3.29Å; H251-K272 PolarHBondContact NE2-O 2.68Å
252	C	97	Very high	96.9	Very high	41 Å²	41	20.1 Å²	20.1	28%	0.277	10%	0.1	S	C	.	.	H	α-helix	trans	-77.9	-24	178.7	-71.2	0	0	0	0	113.6	L189 I190 R193 A248	L189-C252 HydrophobicContact CD2-CB 3.46Å; L189-C252 VanDerWaalsContact CD2-CB 3.46Å; I190-C252 HydrophobicContact CG1-CB 4.49Å; R193-C252 HydrophobicContact CB-CB 4.24Å; R193-C252 WeakPolarHBondContact CD-O 3.44Å; R193-C252 HydrophobicContact CG-CB 4.23Å; R193-C252 VanDerWaalsContact CG-O 3.3Å; R193-C252 WeakPolarHBondContact CG-O 3.45Å; R193-C252 PolarHBondContact NE-O 3.36Å; A248-C252 VanDerWaalsContact O-CB 3.3Å; A248-C252 WeakPolarHBondContact O-CB 3.5Å; A248-C252 PolarHBondContact O-N 2.97Å; A248-C252 PolarHBondContact O-SG 3.2Å
253	A	97.8	Very high	96.8	Very high	5 Å²	5	18.4 Å²	18.4	4%	0.041	9%	0.093	C	C	.	.			trans	-66.6	140.8	-174.9	0	0	0	0	0	112.4	L189 F203 S249 V255 R273	L189-A253 HydrophobicContact CD1-CB 3.84Å; L189-A253 HydrophobicContact CD2-CB 4.33Å; F203-A253 HydrophobicContact CB-CB 3.59Å; S249-A253 WeakPolarHBondContact O-CB 3.38Å; S249-A253 PolarHBondContact O-N 2.63Å; A253-V255 VanDerWaalsContact C-N 3.33Å; A253-V255 WeakPolarHBondContact CB-O 3.38Å; A253-R273 PolarHBondContact O-NH1 3.49Å; A253-R273 PolarHBondContact O-NH2 2.89Å
254	H	96.7	Very high	96.8	Very high	24 Å²	24	18.6 Å²	18.6	11%	0.111	10%	0.095	C	C	.	.	S	Bend	trans	-65.6	-41.7	171.3	-61.4	98.8	0	0	0	110.5	R193 V199 T201 R273 R616 T617	R193-H254 VanDerWaalsContact CD-CE1 3.46Å; R193-H254 WeakPolarHBondContact CD-CE1 3.46Å; R193-H254 VanDerWaalsContact CZ-NE2 3.27Å; R193-H254 PolarHBondContact NH1-CE1 3.48Å; R193-H254 PolarHBondContact NH1-NE2 2.97Å; V199-H254 PolarHBondContact O-CE1 2.89Å; T201-H254 PolarHBondContact N-ND1 3Å; T201-H254 VanDerWaalsContact N-ND1 3.11Å; T201-H254 WeakPolarHBondContact O-CB 3.24Å; T201-H254 PolarHBondContact O-N 2.75Å; T201-H254 VanDerWaalsContact O-N 3.08Å; T201-H254 PolarHBondContact OG1-N 3.19Å; T201-H254 PolarHBondContact OG1-ND1 3.3Å; H254-R273 PolarHBondContact O-NH2 2.89Å; H254-R616 WeakPolarHBondContact O-CD 3.31Å; H254-R616 PolarHBondContact O-NH1 3.35Å; H254-T617 PolarHBondContact CD2-OG1 3.49Å
255	V	97.6	Very high	96.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128	174	175.9	0	0	0	0	109.6	T201 I202 F203 A253 T257 D276 V277 A609 L612 A613	T201-V255 PolarHBondContact O-N 3.27Å; I202-V255 CarbonylContact C-O 3.6Å; I202-V255 WeakPolarHBondContact CA-O 3.43Å; I202-V255 HydrophobicContact CG1-CB 4.38Å; I202-V255 HydrophobicContact CG2-CB 4.36Å; I202-V255 HydrophobicContact CG2-CG1 4.31Å; F203-V255 PolarHBondContact N-O 2.71Å; A253-V255 VanDerWaalsContact C-N 3.33Å; A253-V255 WeakPolarHBondContact CB-O 3.38Å; V255-T257 HydrophobicContact CG1-CG2 3.84Å; V255-D276 WeakPolarHBondContact CA-OD2 3.22Å; V255-D276 HydrophobicContact CG1-CB 4.06Å; V255-V277 HydrophobicContact CG1-CG2 4.49Å; V255-A609 HydrophobicContact CG1-CB 4.31Å; V255-L612 HydrophobicContact CG1-CD2 4.27Å; V255-L612 HydrophobicContact CG2-CB 4.03Å; V255-L612 HydrophobicContact CG2-CD2 3.98Å; V255-L612 HydrophobicContact CG2-CG 3.73Å; V255-A613 HydrophobicContact CB-CB 4.29Å; V255-A613 HydrophobicContact CG2-CB 3.75Å
256	F	98.4	Very high	96.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.5	174.1	172.1	-134.1	0	0	0	109.7	F203 T205 V250 T258 A267 L271 R273 P275 D276	F203-F256 AromaticContact CD1-CD2 3.88Å; F203-F256 HydrophobicContact CD1-CD2 3.88Å; F203-F256 AromaticContact CD1-CE2 3.99Å; F203-F256 HydrophobicContact CD1-CE2 3.99Å; F203-F256 HydrophobicContact CE1-CE2 4.41Å; F203-F256 WeakPolarHBondContact O-CD2 3.45Å; T205-F256 HydrophobicContact CG2-CE2 3.57Å; T205-F256 HydrophobicContact CG2-CZ 3.7Å; V250-F256 HydrophobicContact CB-CD2 4.4Å; V250-F256 HydrophobicContact CB-CE2 4.4Å; V250-F256 HydrophobicContact CG1-CD1 3.71Å; V250-F256 HydrophobicContact CG1-CD2 4.03Å; V250-F256 HydrophobicContact CG1-CE1 3.81Å; V250-F256 HydrophobicContact CG1-CE2 4.11Å; V250-F256 HydrophobicContact CG1-CG 3.85Å; V250-F256 HydrophobicContact CG1-CZ 4.02Å; V250-F256 HydrophobicContact CG2-CD2 3.93Å; V250-F256 HydrophobicContact CG2-CE2 3.55Å; V250-F256 HydrophobicContact CG2-CZ 3.88Å; F256-T258 HydrophobicContact CE1-CG2 4.32Å; F256-T258 HydrophobicContact CE2-CG2 4.28Å; F256-T258 HydrophobicContact CZ-CG2 3.74Å; F256-A267 HydrophobicContact CE1-CB 3.92Å; F256-A267 HydrophobicContact CZ-CB 3.76Å; F256-L271 HydrophobicContact CZ-CD1 4.37Å; F256-R273 HydrophobicContact CD1-CB 4.36Å; F256-R273 HydrophobicContact CD1-CG 3.98Å; F256-R273 WeakPolarHBondContact CE1-O 3.44Å; F256-P275 VanDerWaalsContact CD1-CA 3.42Å; F256-P275 HydrophobicContact CD1-CB 3.9Å; F256-P275 HydrophobicContact CE1-CB 3.9Å; F256-P275 CarbonylContact O-C 3.58Å; F256-P275 WeakPolarHBondContact O-CA 3.23Å; F256-D276 PolarHBondContact N-OD2 3.03Å; F256-D276 WeakPolarHBondContact O-CB 3.43Å; F256-D276 PolarHBondContact O-N 3.39Å
257	T	97.9	Very high	96.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.7	177.1	81	0	0	0	0	112.6	I202 F203 T204 T205 V255 V277 T279 A609	I202-T257 HydrophobicContact CG2-CG2 4.18Å; F203-T257 PolarHBondContact O-N 3.16Å; T204-T257 WeakPolarHBondContact CA-O 3.39Å; T204-T257 WeakPolarHBondContact CB-OG1 3.47Å; T204-T257 WeakPolarHBondContact CG2-OG1 3.46Å; T204-T257 PolarHBondContact OG1-OG1 3.16Å; T205-T257 PolarHBondContact N-O 3.03Å; T205-T257 VanDerWaalsContact N-O 3.14Å; V255-T257 HydrophobicContact CG1-CG2 3.84Å; T257-V277 WeakPolarHBondContact CA-O 3.44Å; T257-V277 WeakPolarHBondContact CB-O 3.48Å; T257-V277 HydrophobicContact CG2-CB 3.9Å; T257-T279 HydrophobicContact CG2-CG2 4.17Å; T257-T279 PolarHBondContact OG1-OG1 3.26Å; T257-A609 HydrophobicContact CG2-CB 3.99Å
258	T	97.4	Very high	96.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	163.4	171.8	57.2	0	0	0	0	109.1	T205 F256 S260 T263 A267 P275 V277 V278 T279	T205-T258 HydrophobicContact CG2-CG2 3.65Å; F256-T258 HydrophobicContact CE1-CG2 4.32Å; F256-T258 HydrophobicContact CE2-CG2 4.28Å; F256-T258 HydrophobicContact CZ-CG2 3.74Å; T258-S260 PolarHBondContact OG1-O 3.14Å; T258-T263 HydrophobicContact CG2-CG2 4.11Å; T258-A267 HydrophobicContact CG2-CB 4.04Å; T258-P275 HydrophobicContact CG2-CB 3.92Å; T258-P275 HydrophobicContact CG2-CG 3.98Å; T258-V277 PolarHBondContact N-O 3.27Å; T258-V278 CarbonylContact O-C 3.59Å; T258-V278 WeakPolarHBondContact O-CA 3.41Å; T258-T279 PolarHBondContact O-N 2.95Å; T258-T279 PolarHBondContact O-OG1 2.87Å
259	V	96.1	Very high	96.2	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	10%	0.103	C	C	.	.	S	Bend	trans	-86.9	-8.7	-178	-63.3	0	0	0	0	114.7	T204 H206 T279 P280 P512 W513	T204-V259 HydrophobicContact CG2-CG1 4.15Å; H206-V259 HydrophobicContact CB-CG1 4.48Å; H206-V259 WeakPolarHBondContact ND1-CG1 3.37Å; V259-T279 WeakPolarHBondContact CA-O 3.38Å; V259-P280 WeakPolarHBondContact O-CA 3.2Å; V259-P512 HydrophobicContact CG2-CB 4.34Å; V259-W513 HydrophobicContact CG2-CB 4.35Å
260	S	94.8	Very high	96	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.014	10%	0.104	C	C	.	.	S	Bend	trans	-157.9	161.9	178.6	71.9	0	0	0	0	112.8	T258 I262 T263 A264 P512	T258-S260 PolarHBondContact OG1-O 3.14Å; S260-I262 VanDerWaalsContact C-N 3.29Å; S260-I262 PolarHBondContact O-N 3.02Å; S260-I262 VanDerWaalsContact OG-CG2 3.29Å; S260-I262 WeakPolarHBondContact OG-CG2 3.5Å; S260-T263 PolarHBondContact O-N 2.99Å; S260-T263 WeakPolarHBondContact OG-CB 3.35Å; S260-T263 PolarHBondContact OG-N 3Å; S260-T263 PolarHBondContact OG-OG1 2.9Å; S260-T263 VanDerWaalsContact OG-OG1 3.12Å; S260-A264 PolarHBondContact O-N 3.17Å; S260-P512 WeakPolarHBondContact CB-O 3.41Å; S260-P512 PolarHBondContact OG-O 3.48Å
261	Q	91.6	Very high	96	Very high	98 Å²	98	20.8 Å²	20.8	46%	0.458	10%	0.104	S	C	.	.	H	α-helix	trans	-65.1	-31.6	177.2	-167.6	60.1	23.2	0	0	113	A264 I265	Q261-A264 WeakPolarHBondContact O-CB 2.9Å; Q261-A264 PolarHBondContact O-N 2.67Å; Q261-I265 WeakPolarHBondContact O-CG1 3.38Å; Q261-I265 PolarHBondContact O-N 3.12Å
262	I	93.6	Very high	95.9	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-70.7	-40.2	177.5	-169.6	62.3	0	0	0	111	Y222 S260 A264 I265 E266 L532	Y222-I262 HydrophobicContact CD1-CD1 3.82Å; Y222-I262 HydrophobicContact CD1-CG1 4.29Å; Y222-I262 HydrophobicContact CE1-CD1 3.56Å; Y222-I262 HydrophobicContact CE1-CG1 3.52Å; S260-I262 VanDerWaalsContact C-N 3.29Å; S260-I262 PolarHBondContact O-N 3.02Å; S260-I262 VanDerWaalsContact OG-CG2 3.29Å; S260-I262 WeakPolarHBondContact OG-CG2 3.5Å; I262-A264 VanDerWaalsContact C-N 3.29Å; I262-A264 PolarHBondContact O-N 2.89Å; I262-I265 PolarHBondContact O-N 2.77Å; I262-E266 PolarHBondContact O-N 2.84Å; I262-E266 VanDerWaalsContact O-N 3.09Å; I262-L532 HydrophobicContact CD1-CD2 4.11Å
263	T	95.8	Very high	95.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-69	-28.3	173.1	-57.3	0	0	0	0	111.9	T258 S260 E266 A267 P512	T258-T263 HydrophobicContact CG2-CG2 4.11Å; S260-T263 PolarHBondContact O-N 2.99Å; S260-T263 WeakPolarHBondContact OG-CB 3.35Å; S260-T263 PolarHBondContact OG-N 3Å; S260-T263 PolarHBondContact OG-OG1 2.9Å; S260-T263 VanDerWaalsContact OG-OG1 3.12Å; T263-E266 WeakPolarHBondContact O-CB 3.49Å; T263-E266 PolarHBondContact O-N 3.35Å; T263-A267 VanDerWaalsContact O-CB 3.31Å; T263-A267 WeakPolarHBondContact O-CB 3.39Å; T263-A267 PolarHBondContact O-N 3.44Å; T263-P512 WeakPolarHBondContact OG1-CA 3.32Å
264	A	95.3	Very high	95.7	Very high	5 Å²	5	25.2 Å²	25.2	4%	0.041	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-47.7	171.3	0	0	0	0	0	112.4	S260 Q261 I262 E266 A267 E268 P275 V278	S260-A264 PolarHBondContact O-N 3.17Å; Q261-A264 WeakPolarHBondContact O-CB 2.9Å; Q261-A264 PolarHBondContact O-N 2.67Å; I262-A264 VanDerWaalsContact C-N 3.29Å; I262-A264 PolarHBondContact O-N 2.89Å; A264-E266 VanDerWaalsContact C-N 3.28Å; A264-E266 PolarHBondContact O-N 2.9Å; A264-A267 PolarHBondContact O-N 3.22Å; A264-E268 PolarHBondContact O-N 3.01Å; A264-P275 HydrophobicContact CB-CG 3.38Å; A264-V278 HydrophobicContact CB-CG2 4.33Å
265	I	94.5	Very high	95.7	Very high	36 Å²	36	25.2 Å²	25.2	19%	0.185	12%	0.121	C	C	.	.	H	α-helix	trans	-62.3	-40.3	176.9	-64.6	165	0	0	0	110.5	L225 Q261 I262 E268 H269	L225-I265 HydrophobicContact CD1-CG2 3.87Å; Q261-I265 WeakPolarHBondContact O-CG1 3.38Å; Q261-I265 PolarHBondContact O-N 3.12Å; I262-I265 PolarHBondContact O-N 2.77Å; I265-E268 WeakPolarHBondContact O-CB 3.27Å; I265-H269 PolarHBondContact O-N 3.49Å; I265-H269 PolarHBondContact O-ND1 3.09Å
266	E	95	Very high	95.5	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-48.7	175.2	-173.7	-171.6	166.8	0	0	112.1	T208 G211 F221 I262 T263 A264 E268 H269 M270 Y510	T208-E266 VanDerWaalsContact CB-OE1 3.29Å; T208-E266 WeakPolarHBondContact CB-OE1 3.43Å; T208-E266 HydrophobicContact CG2-CB 4.41Å; T208-E266 HydrophobicContact CG2-CG 3.71Å; T208-E266 WeakPolarHBondContact CG2-OE1 3.33Å; T208-E266 PolarHBondContact OG1-OE1 3.26Å; G211-E266 VanDerWaalsContact CA-OE1 3.27Å; G211-E266 WeakPolarHBondContact CA-OE1 3.4Å; F221-E266 HydrophobicContact CE1-CG 3.93Å; F221-E266 HydrophobicContact CZ-CG 3.76Å; I262-E266 PolarHBondContact O-N 2.84Å; I262-E266 VanDerWaalsContact O-N 3.09Å; T263-E266 WeakPolarHBondContact O-CB 3.49Å; T263-E266 PolarHBondContact O-N 3.35Å; A264-E266 VanDerWaalsContact C-N 3.28Å; A264-E266 PolarHBondContact O-N 2.9Å; E266-E268 VanDerWaalsContact C-N 3.33Å; E266-E268 PolarHBondContact O-N 3.15Å; E266-H269 PolarHBondContact O-N 2.89Å; E266-M270 HydrophobicContact CG-CG 4.14Å; E266-M270 WeakPolarHBondContact O-CB 3.06Å; E266-M270 WeakPolarHBondContact O-CG 3.17Å; E266-M270 PolarHBondContact O-N 2.94Å; E266-Y510 PolarHBondContact OE1-OH 2.64Å; E266-Y510 VanDerWaalsContact OE1-OH 3.06Å
267	A	96.1	Very high	95.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.2	-35.5	-179.7	0	0	0	0	0	112.7	T208 F256 T258 T263 A264 H269 L271 K272	T208-A267 HydrophobicContact CG2-CB 4.44Å; F256-A267 HydrophobicContact CE1-CB 3.92Å; F256-A267 HydrophobicContact CZ-CB 3.76Å; T258-A267 HydrophobicContact CG2-CB 4.04Å; T263-A267 VanDerWaalsContact O-CB 3.31Å; T263-A267 WeakPolarHBondContact O-CB 3.39Å; T263-A267 PolarHBondContact O-N 3.44Å; A264-A267 PolarHBondContact O-N 3.22Å; A267-H269 VanDerWaalsContact C-N 3.27Å; A267-H269 PolarHBondContact O-N 2.99Å; A267-L271 HydrophobicContact CB-CD1 4.12Å; A267-L271 CarbonylContact O-C 3.49Å; A267-L271 VanDerWaalsContact O-CA 3.27Å; A267-L271 WeakPolarHBondContact O-CA 3.5Å; A267-L271 VanDerWaalsContact O-CB 3.29Å; A267-L271 WeakPolarHBondContact O-CB 3.37Å; A267-L271 PolarHBondContact O-N 3.09Å; A267-K272 PolarHBondContact O-N 3.16Å
268	E	95.9	Very high	95	Very high	79 Å²	79	28.9 Å²	28.9	37%	0.369	14%	0.142	S	C	.	.	H	α-helix	trans	-53.5	-47.7	172.5	-177.4	171.5	-153.7	0	0	111.2	A264 I265 E266 K272 N274	A264-E268 PolarHBondContact O-N 3.01Å; I265-E268 WeakPolarHBondContact O-CB 3.27Å; E266-E268 VanDerWaalsContact C-N 3.33Å; E266-E268 PolarHBondContact O-N 3.15Å; E268-K272 VanDerWaalsContact O-CA 3.23Å; E268-K272 WeakPolarHBondContact O-CA 3.37Å; E268-K272 PolarHBondContact O-N 3.14Å; E268-N274 WeakPolarHBondContact CB-OD1 3.44Å; E268-N274 WeakPolarHBondContact CG-OD1 3.39Å; E268-N274 PolarHBondContact OE1-ND2 3.41Å; E268-N274 PolarHBondContact OE1-OD1 3.22Å; E268-N274 PolarHBondContact OE2-OD1 3.02Å
269	H	95.1	Very high	94.9	Very high	49 Å²	49	28.9 Å²	28.9	23%	0.227	14%	0.142	C	C	.	.	H	α-helix	trans	-81.8	-46.5	-175.2	-66.3	76.3	0	0	0	111.6	L225 I230 I265 E266 A267 K272	L225-H269 HydrophobicContact CB-CB 4.05Å; I230-H269 WeakPolarHBondContact CD1-O 3.45Å; I265-H269 PolarHBondContact O-N 3.49Å; I265-H269 PolarHBondContact O-ND1 3.09Å; E266-H269 PolarHBondContact O-N 2.89Å; A267-H269 VanDerWaalsContact C-N 3.27Å; A267-H269 PolarHBondContact O-N 2.99Å; H269-K272 VanDerWaalsContact O-CD 3.28Å; H269-K272 WeakPolarHBondContact O-CD 3.41Å; H269-K272 WeakPolarHBondContact O-CE 3.11Å; H269-K272 PolarHBondContact O-NZ 2.78Å
270	M	94.3	Very high	94.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-81	-38.7	-173.9	-61.4	-60.7	121.5	0	0	113	L210 L214 F221 L225 F228 I230 Y243 E266	L210-M270 HydrophobicContact CB-SD 4.32Å; L214-M270 HydrophobicContact CD1-SD 4.42Å; F221-M270 HydrophobicContact CE2-CE 4.26Å; F221-M270 HydrophobicContact CE2-SD 4.3Å; F221-M270 HydrophobicContact CZ-CG 4.42Å; L225-M270 HydrophobicContact CD2-CE 4.05Å; L225-M270 WeakPolarHBondContact O-CE 3.4Å; F228-M270 HydrophobicContact CB-CE 4.32Å; F228-M270 HydrophobicContact CD2-CE 4.02Å; I230-M270 HydrophobicContact CD1-SD 4.43Å; I230-M270 HydrophobicContact CG1-CE 4.47Å; I230-M270 HydrophobicContact CG1-SD 3.99Å; Y243-M270 WeakPolarHBondContact CE2-O 3.23Å; Y243-M270 PolarHBondContact OH-O 3.12Å; E266-M270 HydrophobicContact CG-CG 4.14Å; E266-M270 WeakPolarHBondContact O-CB 3.06Å; E266-M270 WeakPolarHBondContact O-CG 3.17Å; E266-M270 PolarHBondContact O-N 2.94Å
271	L	96.8	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-4.6	-175.3	-52.5	177.6	0	0	0	112.6	T205 T208 Y243 E246 R247 V250 H251 F256 A267 R273	T205-L271 HydrophobicContact CG2-CD1 4.4Å; T208-L271 HydrophobicContact CG2-CD1 3.94Å; T208-L271 HydrophobicContact CG2-CG 4.26Å; Y243-L271 HydrophobicContact CD2-CD2 4.49Å; Y243-L271 HydrophobicContact CE2-CD2 3.98Å; E246-L271 HydrophobicContact CG-CD1 4.21Å; E246-L271 HydrophobicContact CG-CD2 3.91Å; E246-L271 WeakPolarHBondContact OE2-CD2 3.38Å; R247-L271 HydrophobicContact CB-CD2 4.46Å; V250-L271 HydrophobicContact CG1-CB 4.34Å; V250-L271 HydrophobicContact CG2-CB 4.35Å; V250-L271 HydrophobicContact CG2-CD1 3.73Å; H251-L271 PolarHBondContact NE2-O 3.42Å; F256-L271 HydrophobicContact CZ-CD1 4.37Å; A267-L271 HydrophobicContact CB-CD1 4.12Å; A267-L271 CarbonylContact O-C 3.49Å; A267-L271 VanDerWaalsContact O-CA 3.27Å; A267-L271 WeakPolarHBondContact O-CA 3.5Å; A267-L271 VanDerWaalsContact O-CB 3.29Å; A267-L271 WeakPolarHBondContact O-CB 3.37Å; A267-L271 PolarHBondContact O-N 3.09Å; L271-R273 PolarHBondContact O-N 2.89Å
272	K	95.9	Very high	94.6	Very high	100 Å²	100	24.4 Å²	24.4	44%	0.435	12%	0.121	S	C	.	.	S	Bend	trans	59.2	30.4	175.2	-52.3	-57.6	-174.9	-164.3	0	113.7	I230 H251 A267 E268 H269	I230-K272 HydrophobicContact CD1-CD 4.49Å; I230-K272 VanDerWaalsContact CD1-NZ 3.27Å; H251-K272 PolarHBondContact CE1-O 3.13Å; H251-K272 VanDerWaalsContact CE1-O 3.29Å; H251-K272 PolarHBondContact NE2-O 2.68Å; A267-K272 PolarHBondContact O-N 3.16Å; E268-K272 VanDerWaalsContact O-CA 3.23Å; E268-K272 WeakPolarHBondContact O-CA 3.37Å; E268-K272 PolarHBondContact O-N 3.14Å; H269-K272 VanDerWaalsContact O-CD 3.28Å; H269-K272 WeakPolarHBondContact O-CD 3.41Å; H269-K272 WeakPolarHBondContact O-CE 3.11Å; H269-K272 PolarHBondContact O-NZ 2.78Å
273	R	96.1	Very high	94.4	Very high	46 Å²	46	25.1 Å²	25.1	17%	0.174	13%	0.125	C	C	.	.	S	Bend	trans	-147.1	129.7	173	-178.4	179.5	170.5	169.7	0.1	109	V250 A253 H254 F256 L271 D276	V250-R273 HydrophobicContact CG1-CB 3.62Å; V250-R273 HydrophobicContact CG1-CG 4.11Å; V250-R273 WeakPolarHBondContact O-CD 3.42Å; V250-R273 PolarHBondContact O-NH1 3.44Å; A253-R273 PolarHBondContact O-NH1 3.49Å; A253-R273 PolarHBondContact O-NH2 2.89Å; H254-R273 PolarHBondContact O-NH2 2.89Å; F256-R273 HydrophobicContact CD1-CB 4.36Å; F256-R273 HydrophobicContact CD1-CG 3.98Å; F256-R273 WeakPolarHBondContact CE1-O 3.44Å; L271-R273 PolarHBondContact O-N 2.89Å; R273-D276 IonicContact CZ-OD2 3.75Å; R273-D276 IonicContact NH2-OD2 3.02Å; R273-D276 PolarHBondContact NH2-OD2 2.96Å
274	N	95.9	Very high	93.8	Very high	87 Å²	87	27.3 Å²	27.3	47%	0.465	14%	0.137	S	C	.	.			trans	-71.2	133.9	170.1	-80.7	-42.6	0	0	0	110.1	E268	E268-N274 WeakPolarHBondContact CB-OD1 3.44Å; E268-N274 WeakPolarHBondContact CG-OD1 3.39Å; E268-N274 PolarHBondContact OE1-ND2 3.41Å; E268-N274 PolarHBondContact OE1-OD1 3.22Å; E268-N274 PolarHBondContact OE2-OD1 3.02Å
275	P	95.6	Very high	93.1	Very high	24 Å²	24	28.2 Å²	28.2	16%	0.156	14%	0.14	C	C	.	.			trans	-65	142	173	27.7	-32.5	0	0	0	110.6	F256 T258 A264	F256-P275 VanDerWaalsContact CD1-CA 3.42Å; F256-P275 HydrophobicContact CD1-CB 3.9Å; F256-P275 HydrophobicContact CE1-CB 3.9Å; F256-P275 CarbonylContact O-C 3.58Å; F256-P275 WeakPolarHBondContact O-CA 3.23Å; T258-P275 HydrophobicContact CG2-CB 3.92Å; T258-P275 HydrophobicContact CG2-CG 3.98Å; A264-P275 HydrophobicContact CB-CG 3.38Å
276	D	93.7	Very high	92	Very high	40 Å²	40	33.8 Å²	33.8	21%	0.214	16%	0.163	C	C	.	.	S	Bend	trans	-74.2	-36.8	177.1	-62	-73.5	0	0	0	111.1	V255 F256 R273 L612 R616	V255-D276 WeakPolarHBondContact CA-OD2 3.22Å; V255-D276 HydrophobicContact CG1-CB 4.06Å; F256-D276 PolarHBondContact N-OD2 3.03Å; F256-D276 WeakPolarHBondContact O-CB 3.43Å; F256-D276 PolarHBondContact O-N 3.39Å; R273-D276 IonicContact CZ-OD2 3.75Å; R273-D276 IonicContact NH2-OD2 3.02Å; R273-D276 PolarHBondContact NH2-OD2 2.96Å; D276-L612 HydrophobicContact CB-CD2 4.05Å; D276-R616 IonicContact OD1-CZ 3.83Å; D276-R616 VanDerWaalsContact OD1-CZ 3.26Å; D276-R616 IonicContact OD1-NH1 3.06Å; D276-R616 PolarHBondContact OD1-NH1 2.99Å; D276-R616 IonicContact OD1-NH2 3.26Å; D276-R616 PolarHBondContact OD1-NH2 3.44Å; D276-R616 IonicContact OD2-NH1 2.76Å; D276-R616 PolarHBondContact OD2-NH1 3.49Å
277	V	92.2	Very high	90.3	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142.1	-178	-170.7	0	0	0	0	109.3	V255 T257 T258 T279 A609 L612	V255-V277 HydrophobicContact CG1-CG2 4.49Å; T257-V277 WeakPolarHBondContact CA-O 3.44Å; T257-V277 WeakPolarHBondContact CB-O 3.48Å; T257-V277 HydrophobicContact CG2-CB 3.9Å; T258-V277 PolarHBondContact N-O 3.27Å; V277-T279 HydrophobicContact CG1-CG2 4.23Å; V277-A609 HydrophobicContact CB-CB 4.48Å; V277-A609 HydrophobicContact CG2-CB 4.32Å; V277-L612 HydrophobicContact CG2-CD2 4.06Å
278	V	93.5	Very high	88.5	Confident	33 Å²	33	41.7 Å²	41.7	20%	0.2	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.5	164.7	177.6	0	0	0	0	107.7	T258 A264 P280 Y605	T258-V278 CarbonylContact O-C 3.59Å; T258-V278 WeakPolarHBondContact O-CA 3.41Å; A264-V278 HydrophobicContact CB-CG2 4.33Å; V278-P280 HydrophobicContact CG1-CG 4.37Å; V278-P280 WeakPolarHBondContact O-CD 3.41Å; V278-Y605 VanDerWaalsContact O-CD1 3.26Å; V278-Y605 WeakPolarHBondContact O-CD1 3.43Å
279	T	94.5	Very high	86.2	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.			trans	-115	83.5	-179.1	53.3	0	0	0	0	109.6	T257 T258 V259 V277 Y606	T257-T279 HydrophobicContact CG2-CG2 4.17Å; T257-T279 PolarHBondContact OG1-OG1 3.26Å; T258-T279 PolarHBondContact O-N 2.95Å; T258-T279 PolarHBondContact O-OG1 2.87Å; V259-T279 WeakPolarHBondContact CA-O 3.38Å; V277-T279 HydrophobicContact CG1-CG2 4.23Å; T279-Y606 HydrophobicContact CG2-CD2 4.26Å; T279-Y606 HydrophobicContact CG2-CE2 4.31Å
280	P	93.6	Very high	84.2	Confident	4 Å²	4	43.6 Å²	43.6	3%	0.026	23%	0.227	C	C	.	.			trans	-60.2	147.6	-178.7	-18.2	30.6	0	0	0	111.8	V259 V278 W513 F538 L602 Y605	V259-P280 WeakPolarHBondContact O-CA 3.2Å; V278-P280 HydrophobicContact CG1-CG 4.37Å; V278-P280 WeakPolarHBondContact O-CD 3.41Å; P280-W513 HydrophobicContact CB-CH2 3.55Å; P280-W513 HydrophobicContact CB-CZ2 4.34Å; P280-W513 HydrophobicContact CB-CZ3 3.65Å; P280-F538 HydrophobicContact CB-CD2 4.15Å; P280-F538 HydrophobicContact CB-CE2 4.27Å; P280-F538 HydrophobicContact CG-CD2 3.96Å; P280-F538 HydrophobicContact CG-CE2 4.02Å; P280-L602 HydrophobicContact CB-CD1 4.35Å; P280-L602 HydrophobicContact CB-CD2 4Å; P280-L602 HydrophobicContact CG-CD2 4.21Å; P280-Y605 HydrophobicContact CG-CD2 4.42Å; P280-Y605 HydrophobicContact CG-CE2 4.36Å
281	N	93.1	Very high	82.7	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	25%	0.251	C	S	.	.			trans	-85.1	121.2	-178.3	-61.2	-48.2	0	0	0	111.2	W513 Y515	N281-W513 HydrophobicContact CB-CD2 4.09Å; N281-W513 HydrophobicContact CB-CG 3.94Å; N281-W513 WeakPolarHBondContact ND2-CB 3.48Å; N281-W513 VanDerWaalsContact O-CE2 3.26Å; N281-W513 WeakPolarHBondContact O-CZ2 3.04Å; N281-W513 PolarHBondContact O-NE1 3.28Å; N281-Y515 HydrophobicContact CB-CE1 3.9Å; N281-Y515 VanDerWaalsContact CB-OH 3.26Å; N281-Y515 WeakPolarHBondContact CB-OH 3.48Å; N281-Y515 PolarHBondContact ND2-OH 3.45Å
282	G	91.1	Very high	81.7	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.277	C	S	.	.			trans	-90.3	179.1	174.3	0	0	0	0	0	114.7	L597 W599 L602	G282-L597 CarbonylContact C-O 3.52Å; G282-L597 WeakPolarHBondContact CA-O 3.26Å; G282-W599 VanDerWaalsContact O-CE2 3.23Å; G282-W599 WeakPolarHBondContact O-CZ2 2.82Å; G282-W599 PolarHBondContact O-NE1 3.28Å; G282-L602 VanDerWaalsContact CA-CD1 3.48Å
283	L	88.2	Confident	81.1	Confident	17 Å²	17	52.9 Å²	52.9	9%	0.089	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-132.9	154	174.5	-67	171.8	0	0	0	109.8	I285 Y515 A518 E519 V522 L597 D598 W599	L283-I285 PolarHBondContact O-N 3.49Å; L283-Y515 HydrophobicContact CD2-CD1 4.32Å; L283-A518 HydrophobicContact CD1-CB 4.08Å; L283-E519 HydrophobicContact CD1-CG 3.96Å; L283-V522 HydrophobicContact CD1-CG2 3.94Å; L283-L597 PolarHBondContact N-O 3.45Å; L283-D598 WeakPolarHBondContact O-CA 3.02Å; L283-W599 PolarHBondContact O-N 3.15Å
284	N	84.3	Confident	80.5	Confident	46 Å²	46	51.1 Å²	51.1	25%	0.246	27%	0.267	C	S	.	.			trans	-82.7	111.4	170.4	-74.6	-18.3	0	0	0	109.4	T50 E110	T50-N284 VanDerWaalsContact O-CG 3.29Å; T50-N284 PolarHBondContact O-ND2 3.39Å; T50-N284 PolarHBondContact O-OD1 3.25Å; E110-N284 PolarHBondContact OE2-ND2 2.98Å
285	I	80.8	Confident	80	Confident	23 Å²	23	48.3 Å²	48.3	12%	0.118	25%	0.251	C	S	.	.			trans	-93.1	113	-176.8	-53.2	179.2	0	0	0	109.1	L283 K287 V522 S594 D598	L283-I285 PolarHBondContact O-N 3.49Å; I285-K287 HydrophobicContact CG2-CG 4.45Å; I285-K287 PolarHBondContact O-N 3.05Å; I285-K287 VanDerWaalsContact O-N 3.16Å; I285-V522 HydrophobicContact CD1-CG2 4.11Å; I285-V522 HydrophobicContact CG1-CG1 4.15Å; I285-V522 HydrophobicContact CG1-CG2 4.19Å; I285-V522 HydrophobicContact CG2-CG1 4.19Å; I285-S594 WeakPolarHBondContact CD1-O 3.45Å; I285-D598 WeakPolarHBondContact CB-OD2 3.08Å; I285-D598 HydrophobicContact CD1-CB 3.7Å; I285-D598 HydrophobicContact CG1-CB 4.2Å
286	K	70.1	Confident	79.8	Confident	153 Å²	153	52 Å²	52	67%	0.665	27%	0.269	S	S	*	.			trans	-80.1	95.8	170.3	-65.2	-174.5	179.9	-177.6	0	107.9	E110 F288	E110-K286 WeakPolarHBondContact OE1-CE 3.38Å; E110-K286 IonicContact OE1-NZ 3.3Å; E110-K286 PolarHBondContact OE1-NZ 2.99Å; K286-F288 PolarHBondContact O-N 3.36Å
287	K	60.5	Low	79.8	Confident	87 Å²	87	51.4 Å²	51.4	38%	0.378	27%	0.266	S	S	.	.			trans	-63.9	123.2	174.1	-64.9	-161.6	176.1	-154.3	0	109.6	I285 D595	I285-K287 HydrophobicContact CG2-CG 4.45Å; I285-K287 PolarHBondContact O-N 3.05Å; I285-K287 VanDerWaalsContact O-N 3.16Å; K287-D595 WeakPolarHBondContact CE-OD1 3.37Å; K287-D595 VanDerWaalsContact NZ-CG 3.33Å; K287-D595 IonicContact NZ-OD1 3.17Å; K287-D595 PolarHBondContact NZ-OD1 3.36Å; K287-D595 IonicContact NZ-OD2 3.54Å; K287-D595 PolarHBondContact NZ-OD2 3.09Å
288	F	58	Low	79.9	Confident	81 Å²	81	51.9 Å²	51.9	36%	0.355	27%	0.268	S	S	.	.			trans	-68.3	145.5	170.5	-65.9	-77	0	0	0	109.6	K286 A290 E293 F294 L297	K286-F288 PolarHBondContact O-N 3.36Å; F288-A290 PolarHBondContact O-N 3.16Å; F288-E293 HydrophobicContact CB-CB 4.2Å; F288-E293 HydrophobicContact CD1-CB 4.32Å; F288-E293 VanDerWaalsContact CD1-CD 3.43Å; F288-E293 HydrophobicContact CD1-CG 4.02Å; F288-E293 VanDerWaalsContact CD1-OE2 3.27Å; F288-E293 WeakPolarHBondContact CD1-OE2 3.29Å; F288-E293 HydrophobicContact CE1-CG 4.46Å; F288-E293 HydrophobicContact CG-CB 4.24Å; F288-E293 HydrophobicContact CG-CG 4.44Å; F288-F294 HydrophobicContact CE2-CB 4.45Å; F288-L297 HydrophobicContact CE1-CD1 4.1Å; F288-L297 HydrophobicContact CZ-CD1 3.84Å
289	S	46.1	Very low	79.9	Confident	136 Å²	136	53.5 Å²	53.5	95%	0.951	28%	0.281	S	S	*	.	S	Bend	trans	-64.4	-21.8	175.5	-60.4	0	0	0	0	112.1
290	A	54.5	Low	80	Confident	31 Å²	31	58 Å²	58	26%	0.256	30%	0.303	S	S	.	.	S	Bend	trans	-128.8	122.3	177.5	0	0	0	0	0	111	F288 H292 E293	F288-A290 PolarHBondContact O-N 3.16Å; A290-H292 PolarHBondContact O-N 2.79Å; A290-H292 VanDerWaalsContact O-N 3.16Å; A290-E293 VanDerWaalsContact O-CB 3.25Å; A290-E293 WeakPolarHBondContact O-CB 3.38Å; A290-E293 PolarHBondContact O-N 2.91Å
291	M	62.9	Low	80.2	Confident	104 Å²	104	59.1 Å²	59.1	51%	0.512	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.7	-178.4	-68.6	-109.4	-167.7	0	0	113.2	E293 F294	M291-E293 VanDerWaalsContact C-N 3.29Å; M291-E293 PolarHBondContact O-N 3.04Å; M291-F294 WeakPolarHBondContact O-CD1 3.35Å; M291-F294 WeakPolarHBondContact O-CE1 3.32Å
292	H	75.3	Confident	80.4	Confident	116 Å²	116	60.6 Å²	60.6	54%	0.537	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.5	-180	61.2	-91.4	0	0	0	114.3	A290 F294 Q295 N296	A290-H292 PolarHBondContact O-N 2.79Å; A290-H292 VanDerWaalsContact O-N 3.16Å; H292-F294 PolarHBondContact O-N 2.96Å; H292-Q295 PolarHBondContact O-N 3.48Å; H292-N296 PolarHBondContact O-N 2.85Å
293	E	83	Confident	80.6	Confident	77 Å²	77	62.8 Å²	62.8	36%	0.36	33%	0.331	S	S	.	.	H	α-helix	trans	-64	-39.3	-176.6	-171.6	171.4	-179.9	0	0	112.1	F288 A290 M291 Q295 N296 L297	F288-E293 HydrophobicContact CB-CB 4.2Å; F288-E293 HydrophobicContact CD1-CB 4.32Å; F288-E293 VanDerWaalsContact CD1-CD 3.43Å; F288-E293 HydrophobicContact CD1-CG 4.02Å; F288-E293 VanDerWaalsContact CD1-OE2 3.27Å; F288-E293 WeakPolarHBondContact CD1-OE2 3.29Å; F288-E293 HydrophobicContact CE1-CG 4.46Å; F288-E293 HydrophobicContact CG-CB 4.24Å; F288-E293 HydrophobicContact CG-CG 4.44Å; A290-E293 VanDerWaalsContact O-CB 3.25Å; A290-E293 WeakPolarHBondContact O-CB 3.38Å; A290-E293 PolarHBondContact O-N 2.91Å; M291-E293 VanDerWaalsContact C-N 3.29Å; M291-E293 PolarHBondContact O-N 3.04Å; E293-Q295 VanDerWaalsContact C-N 3.25Å; E293-Q295 PolarHBondContact O-N 2.95Å; E293-N296 WeakPolarHBondContact O-CB 3.5Å; E293-N296 PolarHBondContact O-N 3.49Å; E293-N296 VanDerWaalsContact O-N 3.12Å; E293-L297 WeakPolarHBondContact O-CG 3.4Å; E293-L297 PolarHBondContact O-N 3.3Å
294	F	83.8	Confident	81	Confident	9 Å²	9	67.2 Å²	67.2	4%	0.039	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-30	178.8	81.3	-90.6	0	0	0	112.5	F288 M291 H292 L297 H298 R587 N588 E591	F288-F294 HydrophobicContact CE2-CB 4.45Å; M291-F294 WeakPolarHBondContact O-CD1 3.35Å; M291-F294 WeakPolarHBondContact O-CE1 3.32Å; H292-F294 PolarHBondContact O-N 2.96Å; F294-L297 PolarHBondContact O-N 2.69Å; F294-H298 PolarHBondContact O-N 3.12Å; F294-R587 HydrophobicContact CE2-CB 4.26Å; F294-N588 VanDerWaalsContact CZ-OD1 3.28Å; F294-N588 WeakPolarHBondContact CZ-OD1 3.32Å; F294-E591 HydrophobicContact CD1-CG 4.11Å; F294-E591 HydrophobicContact CE1-CB 4.21Å; F294-E591 HydrophobicContact CE1-CG 4Å; F294-E591 HydrophobicContact CE2-CB 4.35Å; F294-E591 HydrophobicContact CG-CG 4.5Å; F294-E591 HydrophobicContact CZ-CB 4Å; F294-E591 HydrophobicContact CZ-CG 4.25Å
295	Q	86.1	Confident	81.6	Confident	28 Å²	28	65 Å²	65	13%	0.131	34%	0.335	C	S	.	.	H	α-helix	trans	-69	-37.8	174.7	-69	-70.2	-8.7	0	0	111.8	H292 E293 H298 S299 I584 R587 N588	H292-Q295 PolarHBondContact O-N 3.48Å; E293-Q295 VanDerWaalsContact C-N 3.25Å; E293-Q295 PolarHBondContact O-N 2.95Å; Q295-H298 PolarHBondContact O-N 3.27Å; Q295-S299 PolarHBondContact O-N 3.37Å; Q295-S299 VanDerWaalsContact O-N 3.1Å; Q295-I584 PolarHBondContact NE2-O 3.03Å; Q295-R587 VanDerWaalsContact OE1-CZ 3.29Å; Q295-N588 PolarHBondContact NE2-OD1 3.03Å
296	N	90.8	Very high	82.4	Confident	100 Å²	100	65.2 Å²	65.2	54%	0.535	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-43.4	173.5	-70.7	-24.8	0	0	0	110.9	H292 E293 H298 S299 M300	H292-N296 PolarHBondContact O-N 2.85Å; E293-N296 WeakPolarHBondContact O-CB 3.5Å; E293-N296 PolarHBondContact O-N 3.49Å; E293-N296 VanDerWaalsContact O-N 3.12Å; N296-H298 PolarHBondContact O-N 2.72Å; N296-S299 PolarHBondContact O-N 2.88Å; N296-M300 PolarHBondContact O-N 2.91Å
297	L	92.9	Very high	83.6	Confident	29 Å²	29	60.3 Å²	60.3	15%	0.152	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-43.2	174.8	-66.7	176.2	0	0	0	111.6	F288 E293 F294 S299 M300 Y301	F288-L297 HydrophobicContact CE1-CD1 4.1Å; F288-L297 HydrophobicContact CZ-CD1 3.84Å; E293-L297 WeakPolarHBondContact O-CG 3.4Å; E293-L297 PolarHBondContact O-N 3.3Å; F294-L297 PolarHBondContact O-N 2.69Å; L297-S299 VanDerWaalsContact C-N 3.33Å; L297-S299 PolarHBondContact O-N 2.7Å; L297-M300 HydrophobicContact CD2-CE 4.43Å; L297-M300 PolarHBondContact O-N 3.31Å; L297-Y301 HydrophobicContact CB-CD2 4.17Å; L297-Y301 HydrophobicContact CB-CE2 4.12Å; L297-Y301 HydrophobicContact CD2-CE2 4Å; L297-Y301 WeakPolarHBondContact O-CD2 3.28Å; L297-Y301 PolarHBondContact O-N 3.49Å
298	H	94.6	Very high	85.3	Confident	12 Å²	12	56.5 Å²	56.5	6%	0.056	30%	0.298	C	S	.	.	H	α-helix	trans	-54.9	-49.3	173.8	170.4	71.8	0	0	0	111.4	F294 Q295 N296 M300 K302 R499 C501 R587	F294-H298 PolarHBondContact O-N 3.12Å; Q295-H298 PolarHBondContact O-N 3.27Å; N296-H298 PolarHBondContact O-N 2.72Å; H298-M300 PolarHBondContact O-N 3.44Å; H298-K302 WeakPolarHBondContact O-CB 3.42Å; H298-K302 PolarHBondContact O-N 3.44Å; H298-R499 WeakPolarHBondContact CA-O 3.4Å; H298-R499 WeakPolarHBondContact CB-O 3.27Å; H298-R499 PolarHBondContact ND1-O 2.9Å; H298-C501 PolarHBondContact CE1-O 3.18Å; H298-C501 PolarHBondContact ND1-O 3.35Å; H298-R587 VanDerWaalsContact CD2-CZ 3.41Å; H298-R587 PolarHBondContact CD2-NH1 3.31Å; H298-R587 PolarHBondContact CD2-NH2 3.05Å; H298-R587 PolarHBondContact NE2-NH1 3.49Å
299	S	94.9	Very high	87.1	Confident	67 Å²	67	52.6 Å²	52.6	47%	0.469	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-41.3	179.2	-168.8	0	0	0	0	112.5	Q295 N296 L297 A303	Q295-S299 PolarHBondContact O-N 3.37Å; Q295-S299 VanDerWaalsContact O-N 3.1Å; N296-S299 PolarHBondContact O-N 2.88Å; L297-S299 VanDerWaalsContact C-N 3.33Å; L297-S299 PolarHBondContact O-N 2.7Å; S299-A303 PolarHBondContact O-N 3.4Å; S299-A303 VanDerWaalsContact O-N 3.17Å
300	M	95.8	Very high	89.4	Confident	94 Å²	94	50.3 Å²	50.3	46%	0.463	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-51.3	179.1	-173.4	-165.9	-57.8	0	0	111.6	N296 L297 H298 A303 R304	N296-M300 PolarHBondContact O-N 2.91Å; L297-M300 HydrophobicContact CD2-CE 4.43Å; L297-M300 PolarHBondContact O-N 3.31Å; H298-M300 PolarHBondContact O-N 3.44Å; M300-A303 WeakPolarHBondContact O-CB 3.03Å; M300-A303 PolarHBondContact O-N 3Å; M300-R304 PolarHBondContact O-N 3.49Å
301	Y	97.2	Very high	91.3	Very high	28 Å²	28	48.8 Å²	48.8	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-73.9	-33.1	-177.3	-67	-55.5	0	0	0	112.5	L297 A303 R304 I305 L492 E496 R499	L297-Y301 HydrophobicContact CB-CD2 4.17Å; L297-Y301 HydrophobicContact CB-CE2 4.12Å; L297-Y301 HydrophobicContact CD2-CE2 4Å; L297-Y301 WeakPolarHBondContact O-CD2 3.28Å; L297-Y301 PolarHBondContact O-N 3.49Å; Y301-A303 VanDerWaalsContact C-N 3.26Å; Y301-A303 PolarHBondContact O-N 2.9Å; Y301-R304 WeakPolarHBondContact O-CB 3.39Å; Y301-R304 PolarHBondContact O-N 2.84Å; Y301-R304 VanDerWaalsContact O-N 3.1Å; Y301-I305 WeakPolarHBondContact O-CG1 3.12Å; Y301-I305 PolarHBondContact O-N 3.36Å; Y301-L492 HydrophobicContact CD1-CD2 3.85Å; Y301-L492 HydrophobicContact CE1-CD2 4.32Å; Y301-E496 WeakPolarHBondContact CB-O 3.25Å; Y301-E496 HydrophobicContact CD1-CB 3.7Å; Y301-E496 HydrophobicContact CD1-CG 4.33Å; Y301-E496 HydrophobicContact CD2-CB 4.37Å; Y301-E496 HydrophobicContact CE1-CB 3.5Å; Y301-E496 VanDerWaalsContact CE1-CB 3.5Å; Y301-E496 VanDerWaalsContact CE1-CD 3.42Å; Y301-E496 HydrophobicContact CE1-CG 3.6Å; Y301-E496 WeakPolarHBondContact CE1-OE1 3.31Å; Y301-E496 HydrophobicContact CE2-CB 4.19Å; Y301-E496 HydrophobicContact CE2-CG 4.25Å; Y301-E496 HydrophobicContact CG-CB 4.14Å; Y301-E496 VanDerWaalsContact CZ-OE1 3.3Å; Y301-E496 WeakPolarHBondContact OH-CG 3.49Å; Y301-E496 PolarHBondContact OH-OE1 2.91Å; Y301-R499 HydrophobicContact CD2-CB 3.89Å
302	K	97.3	Very high	92.9	Very high	35 Å²	35	43.9 Å²	43.9	15%	0.152	22%	0.215	C	C	.	.	H	α-helix	trans	-56.2	-42	169.4	178.8	178.9	171.4	167.2	0	111.2	H298 R304 I305 Q306 F326 H502	H298-K302 WeakPolarHBondContact O-CB 3.42Å; H298-K302 PolarHBondContact O-N 3.44Å; K302-R304 VanDerWaalsContact C-N 3.34Å; K302-R304 PolarHBondContact O-N 3.16Å; K302-I305 PolarHBondContact O-N 3.16Å; K302-Q306 WeakPolarHBondContact O-CG 3.43Å; K302-Q306 PolarHBondContact O-N 2.85Å; K302-F326 HydrophobicContact CG-CD2 4.26Å; K302-F326 HydrophobicContact CG-CE2 3.95Å; K302-H502 PolarHBondContact NZ-CE1 3.07Å; K302-H502 PolarHBondContact NZ-NE2 2.93Å
303	A	96.5	Very high	93.8	Very high	45 Å²	45	38.4 Å²	38.4	37%	0.372	19%	0.19	S	C	.	.	H	α-helix	trans	-63.7	-38.6	177.2	0	0	0	0	0	112	S299 M300 Y301 Q306 E307	S299-A303 PolarHBondContact O-N 3.4Å; S299-A303 VanDerWaalsContact O-N 3.17Å; M300-A303 WeakPolarHBondContact O-CB 3.03Å; M300-A303 PolarHBondContact O-N 3Å; Y301-A303 VanDerWaalsContact C-N 3.26Å; Y301-A303 PolarHBondContact O-N 2.9Å; A303-Q306 WeakPolarHBondContact O-CB 3.29Å; A303-Q306 PolarHBondContact O-N 3.48Å; A303-E307 PolarHBondContact O-N 3.44Å
304	R	95.9	Very high	94.2	Very high	111 Å²	111	35.2 Å²	35.2	42%	0.419	17%	0.174	S	C	.	.	H	α-helix	trans	-65.1	-41.1	174.8	-65.5	-173.6	-178.4	177.8	6.9	112.3	M300 Y301 K302 Q306 E307 F308 L492 E496	M300-R304 PolarHBondContact O-N 3.49Å; Y301-R304 WeakPolarHBondContact O-CB 3.39Å; Y301-R304 PolarHBondContact O-N 2.84Å; Y301-R304 VanDerWaalsContact O-N 3.1Å; K302-R304 VanDerWaalsContact C-N 3.34Å; K302-R304 PolarHBondContact O-N 3.16Å; R304-Q306 VanDerWaalsContact C-N 3.35Å; R304-E307 WeakPolarHBondContact O-CB 3.02Å; R304-E307 PolarHBondContact O-N 3.39Å; R304-F308 PolarHBondContact O-N 2.79Å; R304-L492 HydrophobicContact CB-CD1 4.38Å; R304-L492 HydrophobicContact CB-CD2 4.04Å; R304-L492 VanDerWaalsContact CD-CD2 3.5Å; R304-L492 HydrophobicContact CG-CD2 4.44Å; R304-E496 IonicContact NH1-OE1 2.66Å; R304-E496 IonicContact NH1-OE2 3.24Å
305	I	97.4	Very high	94.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-41.3	173.7	-63.1	171.9	0	0	0	110.6	Y301 K302 E307 F308 V309 F326 F366 L492 F497	Y301-I305 WeakPolarHBondContact O-CG1 3.12Å; Y301-I305 PolarHBondContact O-N 3.36Å; K302-I305 PolarHBondContact O-N 3.16Å; I305-E307 VanDerWaalsContact C-N 3.28Å; I305-E307 PolarHBondContact O-N 3.29Å; I305-F308 WeakPolarHBondContact O-CB 3.33Å; I305-F308 PolarHBondContact O-N 3.04Å; I305-F308 VanDerWaalsContact O-N 3.15Å; I305-V309 HydrophobicContact CG2-CG2 4.4Å; I305-V309 WeakPolarHBondContact O-CG2 3.38Å; I305-V309 PolarHBondContact O-N 3.04Å; I305-F326 HydrophobicContact CB-CD2 4.37Å; I305-F326 HydrophobicContact CB-CE2 4.12Å; I305-F326 HydrophobicContact CG2-CD1 4.1Å; I305-F326 HydrophobicContact CG2-CD2 3.86Å; I305-F326 HydrophobicContact CG2-CE1 4.02Å; I305-F326 HydrophobicContact CG2-CE2 3.73Å; I305-F326 HydrophobicContact CG2-CG 4.06Å; I305-F326 HydrophobicContact CG2-CZ 3.83Å; I305-F366 HydrophobicContact CG2-CE2 4.01Å; I305-F366 HydrophobicContact CG2-CZ 3.85Å; I305-L492 HydrophobicContact CG1-CD1 3.72Å; I305-F497 HydrophobicContact CD1-CD2 3.82Å; I305-F497 HydrophobicContact CD1-CE2 4.06Å; I305-F497 HydrophobicContact CG1-CD2 4.15Å; I305-F497 HydrophobicContact CG1-CE2 4.47Å
306	Q	96.8	Very high	94.7	Very high	27 Å²	27	36 Å²	36	13%	0.126	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-37.4	175.4	-75.2	177.1	-20.2	0	0	112.1	K302 A303 R304 V309 R310 L321 F326	K302-Q306 WeakPolarHBondContact O-CG 3.43Å; K302-Q306 PolarHBondContact O-N 2.85Å; A303-Q306 WeakPolarHBondContact O-CB 3.29Å; A303-Q306 PolarHBondContact O-N 3.48Å; R304-Q306 VanDerWaalsContact C-N 3.35Å; Q306-V309 PolarHBondContact O-N 2.94Å; Q306-R310 WeakPolarHBondContact O-CG 3.4Å; Q306-R310 PolarHBondContact O-N 3.47Å; Q306-L321 HydrophobicContact CB-CD1 4.45Å; Q306-L321 HydrophobicContact CG-CB 4.35Å; Q306-L321 PolarHBondContact NE2-O 3.48Å; Q306-F326 HydrophobicContact CG-CE2 3.85Å; Q306-F326 HydrophobicContact CG-CZ 3.75Å
307	E	94.8	Very high	94.5	Very high	49 Å²	49	34.8 Å²	34.8	23%	0.229	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-44.7	173.4	-74.4	-54.2	118.3	0	0	112.2	A303 R304 I305 V309 R310 G311 R387	A303-E307 PolarHBondContact O-N 3.44Å; R304-E307 WeakPolarHBondContact O-CB 3.02Å; R304-E307 PolarHBondContact O-N 3.39Å; I305-E307 VanDerWaalsContact C-N 3.28Å; I305-E307 PolarHBondContact O-N 3.29Å; E307-V309 VanDerWaalsContact C-N 3.33Å; E307-V309 PolarHBondContact O-N 3.2Å; E307-R310 PolarHBondContact O-N 2.99Å; E307-R310 WeakPolarHBondContact OE1-CD 3.49Å; E307-R310 IonicContact OE1-CZ 3.2Å; E307-R310 IonicContact OE1-NE 2.88Å; E307-R310 IonicContact OE1-NH1 4Å; E307-R310 PolarHBondContact OE1-NH1 3.33Å; E307-G311 PolarHBondContact O-N 3.06Å; E307-G311 VanDerWaalsContact O-N 3.15Å; E307-R387 WeakPolarHBondContact O-CD 2.9Å; E307-R387 IonicContact OE2-CZ 3.99Å; E307-R387 IonicContact OE2-NH1 2.77Å; E307-R387 PolarHBondContact OE2-NH1 2.82Å
308	F	96	Very high	94.3	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-47.2	173.1	168.3	-97.6	0	0	0	111.3	R304 I305 R310 G311 H312 F366 Q384 T446 I477 L489 L490	R304-F308 PolarHBondContact O-N 2.79Å; I305-F308 WeakPolarHBondContact O-CB 3.33Å; I305-F308 PolarHBondContact O-N 3.04Å; I305-F308 VanDerWaalsContact O-N 3.15Å; F308-R310 PolarHBondContact O-N 3.39Å; F308-G311 PolarHBondContact O-N 3.22Å; F308-G311 VanDerWaalsContact O-N 3.11Å; F308-H312 HydrophobicContact CE1-CB 4.2Å; F308-H312 HydrophobicContact CZ-CB 4.16Å; F308-H312 AromaticContact CZ-ND1 3.77Å; F308-H312 WeakPolarHBondContact O-CB 3.3Å; F308-H312 PolarHBondContact O-N 3.37Å; F308-F366 AromaticContact CD1-CE1 3.93Å; F308-F366 HydrophobicContact CD1-CE1 3.93Å; F308-F366 HydrophobicContact CD1-CZ 4.1Å; F308-F366 AromaticContact CE1-CE1 3.63Å; F308-F366 HydrophobicContact CE1-CE1 3.63Å; F308-F366 HydrophobicContact CE1-CZ 4.15Å; F308-Q384 PolarHBondContact O-NE2 3.44Å; F308-T446 HydrophobicContact CZ-CG2 4.09Å; F308-I477 HydrophobicContact CE1-CD1 3.79Å; F308-I477 HydrophobicContact CE1-CG2 4.39Å; F308-I477 HydrophobicContact CZ-CG2 4.39Å; F308-L489 WeakPolarHBondContact CD2-O 3.44Å; F308-L489 HydrophobicContact CE2-CB 4.34Å; F308-L490 HydrophobicContact CB-CD1 3.69Å; F308-L490 HydrophobicContact CD1-CD1 4.49Å; F308-L490 HydrophobicContact CD2-CB 4.27Å; F308-L490 HydrophobicContact CD2-CD1 4.39Å; F308-L490 HydrophobicContact CG-CD1 3.94Å
309	V	97	Very high	94.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-40.3	179.5	173.4	0	0	0	0	111.8	I305 Q306 E307 G311 H312 F313 F319 L321 F326 V364 F366	I305-V309 HydrophobicContact CG2-CG2 4.4Å; I305-V309 WeakPolarHBondContact O-CG2 3.38Å; I305-V309 PolarHBondContact O-N 3.04Å; Q306-V309 PolarHBondContact O-N 2.94Å; E307-V309 VanDerWaalsContact C-N 3.33Å; E307-V309 PolarHBondContact O-N 3.2Å; V309-G311 VanDerWaalsContact C-N 3.28Å; V309-G311 PolarHBondContact O-N 3.24Å; V309-H312 PolarHBondContact O-N 3.02Å; V309-F313 HydrophobicContact CG1-CD2 3.76Å; V309-F313 HydrophobicContact CG1-CE2 4.24Å; V309-F313 WeakPolarHBondContact O-CB 3.42Å; V309-F313 WeakPolarHBondContact O-CD2 3.42Å; V309-F313 PolarHBondContact O-N 3.28Å; V309-F319 HydrophobicContact CG1-CE2 4.32Å; V309-F319 HydrophobicContact CG1-CZ 4.15Å; V309-L321 HydrophobicContact CB-CD2 4.41Å; V309-L321 HydrophobicContact CG1-CD2 3.77Å; V309-F326 HydrophobicContact CG2-CE1 3.85Å; V309-F326 HydrophobicContact CG2-CZ 4.25Å; V309-V364 HydrophobicContact CG2-CG1 4.37Å; V309-F366 HydrophobicContact CG2-CZ 4.22Å
310	R	94.9	Very high	94.3	Very high	87 Å²	87	36.6 Å²	36.6	33%	0.328	19%	0.189	S	C	.	.	H	α-helix	trans	-56.9	-43.1	173.5	-74.4	176.9	179.8	99	7.7	111.6	Q306 E307 F308 Y314 L317 L321 R387	Q306-R310 WeakPolarHBondContact O-CG 3.4Å; Q306-R310 PolarHBondContact O-N 3.47Å; E307-R310 PolarHBondContact O-N 2.99Å; E307-R310 WeakPolarHBondContact OE1-CD 3.49Å; E307-R310 IonicContact OE1-CZ 3.2Å; E307-R310 IonicContact OE1-NE 2.88Å; E307-R310 IonicContact OE1-NH1 4Å; E307-R310 PolarHBondContact OE1-NH1 3.33Å; F308-R310 PolarHBondContact O-N 3.39Å; R310-Y314 PolarHBondContact O-N 2.83Å; R310-L317 HydrophobicContact CG-CD2 4.21Å; R310-L321 HydrophobicContact CG-CD1 3.48Å; R310-L321 VanDerWaalsContact CG-CD1 3.48Å; R310-R387 HydrophobicContact CB-CG 4.42Å
311	G	94.1	Very high	94.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-71.3	-40.7	177	0	0	0	0	0	113.1	E307 F308 V309 Y314 G383	E307-G311 PolarHBondContact O-N 3.06Å; E307-G311 VanDerWaalsContact O-N 3.15Å; F308-G311 PolarHBondContact O-N 3.22Å; F308-G311 VanDerWaalsContact O-N 3.11Å; V309-G311 VanDerWaalsContact C-N 3.28Å; V309-G311 PolarHBondContact O-N 3.24Å; G311-Y314 VanDerWaalsContact O-CD1 3.24Å; G311-Y314 WeakPolarHBondContact O-CD1 3.25Å; G311-G383 CarbonylContact O-C 3.47Å; G311-G383 VanDerWaalsContact O-CA 3.25Å; G311-G383 WeakPolarHBondContact O-CA 3.43Å
312	H	95.8	Very high	94	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-69.4	-38.1	-178	-163.9	80.5	0	0	0	112.7	F308 V309 P443	F308-H312 HydrophobicContact CE1-CB 4.2Å; F308-H312 HydrophobicContact CZ-CB 4.16Å; F308-H312 AromaticContact CZ-ND1 3.77Å; F308-H312 WeakPolarHBondContact O-CB 3.3Å; F308-H312 PolarHBondContact O-N 3.37Å; V309-H312 PolarHBondContact O-N 3.02Å; H312-P443 PolarHBondContact CE1-O 3.09Å; H312-P443 PolarHBondContact NE2-O 3.44Å
313	F	95.1	Very high	94	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	24.2	179.8	-68.5	-97.3	0	0	0	112.9	V309 G315 H316 L317 F319 P442 N468 K475 I477	V309-F313 HydrophobicContact CG1-CD2 3.76Å; V309-F313 HydrophobicContact CG1-CE2 4.24Å; V309-F313 WeakPolarHBondContact O-CB 3.42Å; V309-F313 WeakPolarHBondContact O-CD2 3.42Å; V309-F313 PolarHBondContact O-N 3.28Å; F313-G315 PolarHBondContact O-N 2.97Å; F313-H316 CarbonylContact O-C 3.48Å; F313-H316 WeakPolarHBondContact O-CA 3.41Å; F313-H316 PolarHBondContact O-N 3.17Å; F313-L317 HydrophobicContact CB-CD1 4.38Å; F313-L317 PolarHBondContact O-N 2.75Å; F313-F319 HydrophobicContact CD1-CE1 4.06Å; F313-F319 HydrophobicContact CD1-CZ 4.29Å; F313-F319 HydrophobicContact CG-CE1 4.32Å; F313-F319 HydrophobicContact CG-CZ 4.21Å; F313-P442 HydrophobicContact CD1-CB 3.66Å; F313-P442 HydrophobicContact CD1-CG 3.48Å; F313-P442 VanDerWaalsContact CD1-CG 3.48Å; F313-P442 HydrophobicContact CE1-CB 3.69Å; F313-P442 HydrophobicContact CE1-CG 3.9Å; F313-P442 HydrophobicContact CG-CB 4.25Å; F313-P442 HydrophobicContact CG-CG 4.22Å; F313-P442 HydrophobicContact CZ-CB 4.31Å; F313-N468 HydrophobicContact CE1-CB 4.08Å; F313-K475 HydrophobicContact CE1-CB 3.95Å; F313-K475 HydrophobicContact CE1-CD 4.03Å; F313-K475 HydrophobicContact CE1-CG 3.87Å; F313-K475 HydrophobicContact CZ-CB 3.65Å; F313-K475 HydrophobicContact CZ-CG 4.02Å; F313-I477 HydrophobicContact CE2-CD1 3.88Å; F313-I477 HydrophobicContact CE2-CG1 4.41Å; F313-I477 HydrophobicContact CZ-CD1 4.46Å
314	Y	91.3	Very high	94	Very high	10 Å²	10	40.3 Å²	40.3	4%	0.039	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	137.3	177.7	81.3	-81.7	0	0	0	111.7	R310 G311 H316 E379 G383 V386 R438	R310-Y314 PolarHBondContact O-N 2.83Å; G311-Y314 VanDerWaalsContact O-CD1 3.24Å; G311-Y314 WeakPolarHBondContact O-CD1 3.25Å; Y314-H316 PolarHBondContact O-N 3.38Å; Y314-H316 VanDerWaalsContact O-N 3.09Å; Y314-E379 PolarHBondContact OH-OE2 2.89Å; Y314-G383 VanDerWaalsContact CD1-CA 3.4Å; Y314-V386 HydrophobicContact CD2-CG1 4.43Å; Y314-R438 HydrophobicContact CD2-CB 4.37Å; Y314-R438 HydrophobicContact CE2-CB 3.78Å; Y314-R438 HydrophobicContact CE2-CG 4Å; Y314-R438 VanDerWaalsContact CZ-CD 3.42Å; Y314-R438 PolarHBondContact OH-NE 3.35Å
315	G	88.9	Confident	94.2	Very high	36 Å²	36	35.2 Å²	35.2	37%	0.371	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	-3.6	-173.8	0	0	0	0	0	115.4	F313 R470	F313-G315 PolarHBondContact O-N 2.97Å; G315-R470 PolarHBondContact O-NH2 2.96Å
316	H	90.1	Very high	94.2	Very high	18 Å²	18	35.2 Å²	35.2	8%	0.083	18%	0.179	C	C	.	.			trans	-133.1	18.3	-177.7	-71.8	80	0	0	0	112.4	F313 Y314 D318 C440 P442	F313-H316 CarbonylContact O-C 3.48Å; F313-H316 WeakPolarHBondContact O-CA 3.41Å; F313-H316 PolarHBondContact O-N 3.17Å; Y314-H316 PolarHBondContact O-N 3.38Å; Y314-H316 VanDerWaalsContact O-N 3.09Å; H316-D318 PolarHBondContact O-N 2.92Å; H316-C440 PolarHBondContact CE1-O 2.72Å; H316-C440 VanDerWaalsContact CE1-O 3.23Å; H316-P442 HydrophobicContact CB-CG 3.7Å
317	L	87.3	Confident	94.3	Very high	73 Å²	73	33.9 Å²	33.9	38%	0.382	17%	0.173	S	C	.	.			trans	-82.7	71.2	176.3	-166	73.4	0	0	0	109.7	R310 F313 F319 L321	R310-L317 HydrophobicContact CG-CD2 4.21Å; F313-L317 HydrophobicContact CB-CD1 4.38Å; F313-L317 PolarHBondContact O-N 2.75Å; L317-F319 VanDerWaalsContact C-N 3.33Å; L317-F319 HydrophobicContact CD1-CD2 4.49Å; L317-F319 HydrophobicContact CD1-CE1 4.14Å; L317-F319 HydrophobicContact CD1-CE2 3.99Å; L317-F319 HydrophobicContact CD1-CZ 3.79Å; L317-L321 HydrophobicContact CD1-CD1 4.39Å; L317-L321 HydrophobicContact CD1-CD2 4.13Å; L317-L321 HydrophobicContact CD1-CG 4.26Å; L317-L321 HydrophobicContact CD2-CD1 4.23Å
318	D	89.1	Confident	94.5	Very high	74 Å²	74	31.6 Å²	31.6	40%	0.396	16%	0.162	S	C	.	.			trans	-95	14.8	-179.9	62.2	-15	0	0	0	113.5	H316 R470	H316-D318 PolarHBondContact O-N 2.92Å; D318-R470 VanDerWaalsContact OD2-CA 3.26Å; D318-R470 WeakPolarHBondContact OD2-CA 3.45Å; D318-R470 WeakPolarHBondContact OD2-CB 3.19Å; D318-R470 VanDerWaalsContact OD2-CG 3.25Å; D318-R470 WeakPolarHBondContact OD2-CG 3.46Å
319	F	94.4	Very high	94.6	Very high	19 Å²	19	31.3 Å²	31.3	8%	0.083	16%	0.161	C	C	.	.	S	Bend	trans	-132.4	154.9	-179.4	58.2	-90.1	0	0	0	112	V309 F313 L317 L321 T324 T362 V364	V309-F319 HydrophobicContact CG1-CE2 4.32Å; V309-F319 HydrophobicContact CG1-CZ 4.15Å; F313-F319 HydrophobicContact CD1-CE1 4.06Å; F313-F319 HydrophobicContact CD1-CZ 4.29Å; F313-F319 HydrophobicContact CG-CE1 4.32Å; F313-F319 HydrophobicContact CG-CZ 4.21Å; L317-F319 VanDerWaalsContact C-N 3.33Å; L317-F319 HydrophobicContact CD1-CD2 4.49Å; L317-F319 HydrophobicContact CD1-CE1 4.14Å; L317-F319 HydrophobicContact CD1-CE2 3.99Å; L317-F319 HydrophobicContact CD1-CZ 3.79Å; F319-L321 HydrophobicContact CD2-CD2 4.49Å; F319-L321 HydrophobicContact CE2-CD2 3.88Å; F319-T324 WeakPolarHBondContact CD2-OG1 3.42Å; F319-T324 HydrophobicContact CE2-CG2 4.48Å; F319-T362 HydrophobicContact CB-CG2 4.28Å; F319-T362 WeakPolarHBondContact CB-OG1 3.4Å; F319-T362 HydrophobicContact CD1-CG2 4.29Å; F319-T362 HydrophobicContact CD2-CG2 3.75Å; F319-T362 HydrophobicContact CE2-CG2 4.08Å; F319-T362 HydrophobicContact CG-CG2 3.85Å; F319-T362 HydrophobicContact CZ-CG2 4.5Å; F319-V364 HydrophobicContact CE2-CG2 4.46Å
320	S	94.1	Very high	94.6	Very high	54 Å²	54	31.5 Å²	31.5	38%	0.378	16%	0.163	S	C	.	.			trans	-82.2	123.3	178.8	175.2	0	0	0	0	111.5	E322 K323 T324	S320-E322 PolarHBondContact O-N 3.33Å; S320-E322 PolarHBondContact OG-N 2.94Å; S320-K323 CarbonylContact O-C 3.39Å; S320-K323 PolarHBondContact O-N 2.83Å; S320-K323 VanDerWaalsContact O-N 3.16Å; S320-T324 PolarHBondContact O-N 3.38Å; S320-T324 PolarHBondContact O-OG1 2.84Å
321	L	94.6	Very high	94.5	Very high	13 Å²	13	28.4 Å²	28.4	7%	0.068	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-67.6	-19.7	176	-67.6	171.8	0	0	0	113.6	Q306 V309 R310 L317 F319 K323 T324	Q306-L321 HydrophobicContact CB-CD1 4.45Å; Q306-L321 HydrophobicContact CG-CB 4.35Å; Q306-L321 PolarHBondContact NE2-O 3.48Å; V309-L321 HydrophobicContact CB-CD2 4.41Å; V309-L321 HydrophobicContact CG1-CD2 3.77Å; R310-L321 HydrophobicContact CG-CD1 3.48Å; R310-L321 VanDerWaalsContact CG-CD1 3.48Å; L317-L321 HydrophobicContact CD1-CD1 4.39Å; L317-L321 HydrophobicContact CD1-CD2 4.13Å; L317-L321 HydrophobicContact CD1-CG 4.26Å; L317-L321 HydrophobicContact CD2-CD1 4.23Å; F319-L321 HydrophobicContact CD2-CD2 4.49Å; F319-L321 HydrophobicContact CE2-CD2 3.88Å; L321-K323 VanDerWaalsContact C-N 3.35Å; L321-T324 WeakPolarHBondContact CA-OG1 3.25Å; L321-T324 PolarHBondContact O-N 2.88Å
322	E	93.5	Very high	94.3	Very high	161 Å²	161	33.8 Å²	33.8	75%	0.752	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-70.7	-35.8	173.6	-63.6	-175.8	168.3	0	0	111.5	S320 T324	S320-E322 PolarHBondContact O-N 3.33Å; S320-E322 PolarHBondContact OG-N 2.94Å; E322-T324 VanDerWaalsContact C-N 3.33Å
323	K	95.7	Very high	94.2	Very high	105 Å²	105	36.5 Å²	36.5	46%	0.457	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-95.9	16.6	175.8	-59.1	-173.3	178.8	-178.4	0	112.3	S320 L321 D360 V361 T362	S320-K323 CarbonylContact O-C 3.39Å; S320-K323 PolarHBondContact O-N 2.83Å; S320-K323 VanDerWaalsContact O-N 3.16Å; L321-K323 VanDerWaalsContact C-N 3.35Å; K323-D360 HydrophobicContact CD-CB 4.33Å; K323-D360 WeakPolarHBondContact CD-OD2 3.31Å; K323-D360 WeakPolarHBondContact CE-OD2 3.48Å; K323-D360 IonicContact NZ-OD2 2.8Å; K323-D360 PolarHBondContact NZ-OD2 3.38Å; K323-V361 WeakPolarHBondContact O-CA 3.44Å; K323-T362 PolarHBondContact O-N 3.42Å; K323-T362 VanDerWaalsContact O-N 3.09Å
324	T	98.2	Very high	94.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.8	172.8	-60.3	0	0	0	0	111.4	F319 S320 L321 E322 F326 T362 V364	F319-T324 WeakPolarHBondContact CD2-OG1 3.42Å; F319-T324 HydrophobicContact CE2-CG2 4.48Å; S320-T324 PolarHBondContact O-N 3.38Å; S320-T324 PolarHBondContact O-OG1 2.84Å; L321-T324 WeakPolarHBondContact CA-OG1 3.25Å; L321-T324 PolarHBondContact O-N 2.88Å; E322-T324 VanDerWaalsContact C-N 3.33Å; T324-F326 HydrophobicContact CG2-CD1 4.14Å; T324-F326 HydrophobicContact CG2-CE1 3.62Å; T324-F326 HydrophobicContact CG2-CZ 4.16Å; T324-T362 CarbonylContact C-O 3.59Å; T324-T362 WeakPolarHBondContact CA-O 3.36Å; T324-V364 HydrophobicContact CG2-CB 4.29Å; T324-V364 HydrophobicContact CG2-CG2 3.68Å
325	L	98.6	Very high	94.2	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142.6	170.1	-58.3	178.2	0	0	0	109.9	F327 V361 T362 V363 V364 H502 F575 C576	L325-F327 HydrophobicContact CB-CD1 4.45Å; L325-F327 HydrophobicContact CB-CE1 3.9Å; L325-F327 HydrophobicContact CB-CZ 4.48Å; L325-F327 HydrophobicContact CD1-CE1 4.31Å; L325-F327 HydrophobicContact CD1-CZ 4.38Å; L325-V361 HydrophobicContact CD1-CG1 3.97Å; L325-V361 HydrophobicContact CG-CG1 4.14Å; L325-T362 PolarHBondContact N-O 3.28Å; L325-V363 WeakPolarHBondContact O-CA 3.46Å; L325-V364 PolarHBondContact O-N 2.83Å; L325-H502 HydrophobicContact CD2-CB 4.45Å; L325-F575 HydrophobicContact CD1-CD1 4.12Å; L325-F575 HydrophobicContact CD1-CE1 4.24Å; L325-C576 HydrophobicContact CD1-CB 4.38Å
326	F	98.7	Very high	94.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	110.8	179.4	-62.6	-48.5	0	0	0	109	K302 I305 Q306 V309 T324 V364 F366 C501 H502 L503	K302-F326 HydrophobicContact CG-CD2 4.26Å; K302-F326 HydrophobicContact CG-CE2 3.95Å; I305-F326 HydrophobicContact CB-CD2 4.37Å; I305-F326 HydrophobicContact CB-CE2 4.12Å; I305-F326 HydrophobicContact CG2-CD1 4.1Å; I305-F326 HydrophobicContact CG2-CD2 3.86Å; I305-F326 HydrophobicContact CG2-CE1 4.02Å; I305-F326 HydrophobicContact CG2-CE2 3.73Å; I305-F326 HydrophobicContact CG2-CG 4.06Å; I305-F326 HydrophobicContact CG2-CZ 3.83Å; Q306-F326 HydrophobicContact CG-CE2 3.85Å; Q306-F326 HydrophobicContact CG-CZ 3.75Å; V309-F326 HydrophobicContact CG2-CE1 3.85Å; V309-F326 HydrophobicContact CG2-CZ 4.25Å; T324-F326 HydrophobicContact CG2-CD1 4.14Å; T324-F326 HydrophobicContact CG2-CE1 3.62Å; T324-F326 HydrophobicContact CG2-CZ 4.16Å; F326-V364 WeakPolarHBondContact CA-O 3.48Å; F326-V364 HydrophobicContact CD1-CB 3.92Å; F326-V364 HydrophobicContact CD1-CG1 4.45Å; F326-V364 HydrophobicContact CE1-CB 4.08Å; F326-V364 HydrophobicContact CE1-CG2 4.38Å; F326-F366 AromaticContact CD1-CE2 3.99Å; F326-F366 HydrophobicContact CD1-CE2 3.99Å; F326-C501 HydrophobicContact CB-CB 4.38Å; F326-H502 AromaticContact CD2-CE1 3.71Å; F326-H502 AromaticContact CD2-ND1 3.82Å; F326-H502 PolarHBondContact N-ND1 3.26Å; F326-H502 PolarHBondContact O-N 2.92Å; F326-L503 PolarHBondContact O-N 3.13Å
327	F	98.8	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	154.1	171.9	-59.3	-10.5	0	0	0	109	L325 L350 V363 V364 V365 F366 L503 V505 L572 F575	L325-F327 HydrophobicContact CB-CD1 4.45Å; L325-F327 HydrophobicContact CB-CE1 3.9Å; L325-F327 HydrophobicContact CB-CZ 4.48Å; L325-F327 HydrophobicContact CD1-CE1 4.31Å; L325-F327 HydrophobicContact CD1-CZ 4.38Å; F327-L350 HydrophobicContact CE2-CD2 4.41Å; F327-V363 HydrophobicContact CB-CG1 4.41Å; F327-V363 HydrophobicContact CD1-CG1 4.32Å; F327-V363 HydrophobicContact CD2-CG1 3.41Å; F327-V363 VanDerWaalsContact CD2-CG1 3.41Å; F327-V363 HydrophobicContact CE1-CG1 4.49Å; F327-V363 HydrophobicContact CE2-CG1 3.61Å; F327-V363 HydrophobicContact CE2-CG2 4.35Å; F327-V363 HydrophobicContact CG-CG1 3.79Å; F327-V363 HydrophobicContact CZ-CG1 4.16Å; F327-V363 HydrophobicContact CZ-CG2 4.5Å; F327-V364 PolarHBondContact N-O 3.35Å; F327-V365 HydrophobicContact CB-CG1 4.37Å; F327-V365 HydrophobicContact CB-CG2 4.24Å; F327-V365 CarbonylContact O-C 3.5Å; F327-V365 VanDerWaalsContact O-CA 3.31Å; F327-V365 WeakPolarHBondContact O-CA 3.47Å; F327-F366 PolarHBondContact O-N 2.92Å; F327-L503 VanDerWaalsContact CA-O 3.28Å; F327-L503 WeakPolarHBondContact CA-O 3.47Å; F327-L503 HydrophobicContact CD1-CB 3.51Å; F327-L503 HydrophobicContact CD1-CD2 4.18Å; F327-L503 HydrophobicContact CD1-CG 4.43Å; F327-L503 HydrophobicContact CD2-CD2 4.41Å; F327-L503 HydrophobicContact CE1-CB 3.69Å; F327-L503 HydrophobicContact CE1-CD2 3.95Å; F327-L503 HydrophobicContact CE1-CG 4.49Å; F327-L503 HydrophobicContact CE2-CD2 4.19Å; F327-L503 HydrophobicContact CG-CB 4.23Å; F327-L503 HydrophobicContact CG-CD2 4.42Å; F327-L503 HydrophobicContact CZ-CD2 3.96Å; F327-V505 HydrophobicContact CB-CG2 4.38Å; F327-L572 HydrophobicContact CD2-CD2 4.1Å; F327-L572 HydrophobicContact CE2-CB 4.4Å; F327-L572 HydrophobicContact CE2-CD2 3.87Å; F327-F575 AromaticContact CE1-CD1 3.67Å; F327-F575 HydrophobicContact CE1-CD1 3.67Å; F327-F575 AromaticContact CE1-CE1 3.78Å; F327-F575 HydrophobicContact CE1-CE1 3.78Å; F327-F575 AromaticContact CZ-CD1 3.75Å; F327-F575 HydrophobicContact CZ-CD1 3.75Å; F327-F575 HydrophobicContact CZ-CE1 4.34Å
328	F	98.7	Very high	94.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	154	175.2	75.3	-77.3	0	0	0	112.3	A330 F366 F497 V498 C501 L503 V505 F506 C520	F328-A330 HydrophobicContact CD2-CB 4.05Å; F328-A330 HydrophobicContact CE2-CB 4.17Å; F328-F366 CarbonylContact C-O 3.21Å; F328-F366 WeakPolarHBondContact CA-O 3.4Å; F328-F366 HydrophobicContact CB-CB 4Å; F328-F497 HydrophobicContact CB-CE1 3.81Å; F328-F497 HydrophobicContact CB-CZ 4.03Å; F328-F497 HydrophobicContact CD1-CE1 4.47Å; F328-F497 AromaticContact CD2-CE1 3.98Å; F328-F497 HydrophobicContact CD2-CE1 3.98Å; F328-F497 AromaticContact CG-CE1 3.84Å; F328-F497 HydrophobicContact CG-CE1 3.84Å; F328-F497 HydrophobicContact CG-CZ 4.48Å; F328-V498 HydrophobicContact CE1-CG1 4.36Å; F328-V498 HydrophobicContact CE2-CG2 3.88Å; F328-V498 HydrophobicContact CZ-CB 4.2Å; F328-V498 HydrophobicContact CZ-CG1 3.89Å; F328-V498 HydrophobicContact CZ-CG2 3.67Å; F328-C501 HydrophobicContact CD1-CB 3.56Å; F328-C501 HydrophobicContact CE1-CB 3.79Å; F328-L503 PolarHBondContact N-O 3.43Å; F328-L503 VanDerWaalsContact N-O 3.16Å; F328-V505 PolarHBondContact O-N 2.6Å; F328-F506 HydrophobicContact CD2-CE1 4.41Å; F328-F506 HydrophobicContact CD2-CZ 4.41Å; F328-F506 HydrophobicContact CE2-CE1 4.01Å; F328-F506 AromaticContact CE2-CZ 3.7Å; F328-F506 HydrophobicContact CE2-CZ 3.7Å; F328-F506 AromaticContact CZ-CZ 3.83Å; F328-F506 HydrophobicContact CZ-CZ 3.83Å; F328-C520 VanDerWaalsContact CZ-SG 3.53Å
329	I	98.4	Very high	95.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.5	163.5	-172.9	172.3	0	0	0	107.3	A340 F343 F366 F367 I368 M369 V505 F506	I329-A340 HydrophobicContact CD1-CB 4.48Å; I329-F343 HydrophobicContact CB-CD1 4Å; I329-F343 HydrophobicContact CB-CE1 3.97Å; I329-F343 HydrophobicContact CD1-CD1 4.26Å; I329-F343 HydrophobicContact CG2-CD1 3.86Å; I329-F343 HydrophobicContact CG2-CE1 3.91Å; I329-F366 PolarHBondContact N-O 3.16Å; I329-F367 HydrophobicContact CG2-CB 4.15Å; I329-F367 HydrophobicContact CG2-CD1 3.26Å; I329-F367 HydrophobicContact CG2-CD2 4.38Å; I329-F367 HydrophobicContact CG2-CE1 3.61Å; I329-F367 HydrophobicContact CG2-CG 3.68Å; I329-F367 HydrophobicContact CG2-CZ 4.29Å; I329-I368 PolarHBondContact O-N 2.95Å; I329-M369 HydrophobicContact CD1-CE 3.61Å; I329-M369 HydrophobicContact CG1-CE 3.7Å; I329-M369 HydrophobicContact CG2-CE 4.17Å; I329-V505 WeakPolarHBondContact CB-O 3.37Å; I329-V505 VanDerWaalsContact CG1-O 3.29Å; I329-V505 WeakPolarHBondContact CG1-O 3.48Å; I329-F506 HydrophobicContact CG1-CD1 4.26Å
330	A	96.1	Very high	95.4	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.041	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.5	-178.7	0	0	0	0	0	110.4	F328 I368 Y494 T516	F328-A330 HydrophobicContact CD2-CB 4.05Å; F328-A330 HydrophobicContact CE2-CB 4.17Å; A330-I368 WeakPolarHBondContact CA-O 3.47Å; A330-I368 HydrophobicContact CB-CB 3.97Å; A330-Y494 HydrophobicContact CB-CE2 3.93Å; A330-T516 HydrophobicContact CB-CG2 4.1Å
331	G	92.3	Very high	95.5	Very high	22 Å²	22	31.6 Å²	31.6	23%	0.227	15%	0.151	C	C	.	.	S	Bend	trans	154.3	-169.3	175.4	0	0	0	0	0	113	I368 P370	G331-I368 PolarHBondContact N-O 3.03Å; G331-I368 VanDerWaalsContact N-O 3.17Å; G331-P370 WeakPolarHBondContact O-CD 2.85Å
332	R	91.1	Very high	95.6	Very high	113 Å²	113	31.5 Å²	31.5	43%	0.426	15%	0.15	S	C	.	.	S	Bend	trans	-59.6	149.2	170.3	-62.3	-173.4	-59.3	-151.7	-0.2	110	R212 E334	R212-R332 VanDerWaalsContact NH2-NH1 3.2Å; R332-E334 HydrophobicContact CB-CG 4.18Å; R332-E334 IonicContact CZ-OE1 3.52Å; R332-E334 IonicContact CZ-OE2 2.63Å; R332-E334 IonicContact NE-OE1 2.76Å; R332-E334 PolarHBondContact NE-OE1 3.33Å; R332-E334 IonicContact NE-OE2 3.21Å; R332-E334 PolarHBondContact NE-OE2 2.87Å; R332-E334 IonicContact NH2-OE1 3.11Å; R332-E334 PolarHBondContact NH2-OE1 2.86Å; R332-E334 IonicContact NH2-OE2 3.95Å; R332-E334 PolarHBondContact NH2-OE2 3.24Å; R332-E334 PolarHBondContact O-N 3Å
333	Y	93.5	Very high	95.8	Very high	57 Å²	57	23.8 Å²	23.8	22%	0.224	12%	0.115	C	C	.	.	S	Bend	trans	-73.8	78.8	176.4	-156.7	-52.6	0	0	0	110.3	M369 P370 A371 D455 I457	Y333-M369 HydrophobicContact CD2-CB 3.86Å; Y333-M369 WeakPolarHBondContact CD2-O 3.44Å; Y333-M369 HydrophobicContact CE2-CB 4.41Å; Y333-M369 HydrophobicContact CG-CB 4.26Å; Y333-P370 WeakPolarHBondContact CB-O 3.5Å; Y333-A371 HydrophobicContact CD2-CB 3.53Å; Y333-A371 HydrophobicContact CE2-CB 3.62Å; Y333-D455 PolarHBondContact OH-OD1 3.03Å; Y333-D455 PolarHBondContact OH-OD2 3.42Å; Y333-I457 HydrophobicContact CE1-CD1 4.2Å; Y333-I457 HydrophobicContact CE1-CG1 4.41Å; Y333-I457 HydrophobicContact CE2-CD1 4.2Å; Y333-I457 WeakPolarHBondContact OH-CG1 3.32Å
334	E	92.7	Very high	95.9	Very high	34 Å²	34	18.8 Å²	18.8	16%	0.159	9%	0.093	C	C	.	.			trans	-125.5	89.9	175.9	-60.9	172.5	152.3	0	0	108.2	R212 R332 S336 N337 K338	R212-E334 IonicContact CZ-OE1 3.49Å; R212-E334 IonicContact NE-OE1 3.75Å; R212-E334 IonicContact NH2-OE1 2.69Å; R212-E334 PolarHBondContact NH2-OE1 3.44Å; R332-E334 HydrophobicContact CB-CG 4.18Å; R332-E334 IonicContact CZ-OE1 3.52Å; R332-E334 IonicContact CZ-OE2 2.63Å; R332-E334 IonicContact NE-OE1 2.76Å; R332-E334 PolarHBondContact NE-OE1 3.33Å; R332-E334 IonicContact NE-OE2 3.21Å; R332-E334 PolarHBondContact NE-OE2 2.87Å; R332-E334 IonicContact NH2-OE1 3.11Å; R332-E334 PolarHBondContact NH2-OE1 2.86Å; R332-E334 IonicContact NH2-OE2 3.95Å; R332-E334 PolarHBondContact NH2-OE2 3.24Å; R332-E334 PolarHBondContact O-N 3Å; E334-S336 PolarHBondContact O-N 3.5Å; E334-N337 HydrophobicContact CB-CB 3.97Å; E334-N337 PolarHBondContact O-N 3.28Å; E334-K338 HydrophobicContact CB-CG 4.16Å; E334-K338 WeakPolarHBondContact O-CB 3.45Å; E334-K338 PolarHBondContact O-N 2.95Å
335	F	94.1	Very high	95.9	Very high	43 Å²	43	21.3 Å²	21.3	19%	0.189	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-52.5	-167.1	-179.1	-117.6	0	0	0	114	A340 D341 L344 P456 I457 T460	F335-A340 HydrophobicContact CD2-CB 3.84Å; F335-A340 HydrophobicContact CE2-CB 4.22Å; F335-A340 WeakPolarHBondContact O-CB 3.47Å; F335-A340 PolarHBondContact O-N 3.49Å; F335-D341 HydrophobicContact CD1-CB 4.12Å; F335-D341 HydrophobicContact CE1-CB 3.54Å; F335-D341 HydrophobicContact CE2-CB 4.08Å; F335-D341 HydrophobicContact CZ-CB 3.5Å; F335-D341 PolarHBondContact O-N 3.39Å; F335-L344 HydrophobicContact CE2-CD1 4.1Å; F335-P456 HydrophobicContact CB-CB 4.08Å; F335-P456 HydrophobicContact CD1-CB 3.65Å; F335-P456 HydrophobicContact CD2-CB 3.8Å; F335-P456 HydrophobicContact CE1-CB 3.96Å; F335-P456 HydrophobicContact CE2-CB 4.12Å; F335-P456 HydrophobicContact CG-CB 3.56Å; F335-P456 HydrophobicContact CG-CG 4.47Å; F335-P456 HydrophobicContact CZ-CB 4.2Å; F335-I457 HydrophobicContact CD2-CG1 3.76Å; F335-I457 HydrophobicContact CE2-CG1 4.02Å; F335-T460 VanDerWaalsContact CZ-OG1 3.25Å; F335-T460 WeakPolarHBondContact CZ-OG1 3.49Å
336	S	92.7	Very high	95.9	Very high	34 Å²	34	21.1 Å²	21.1	24%	0.238	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-42.5	-180	-44	0	0	0	0	112.5	E334 K338 G339	E334-S336 PolarHBondContact O-N 3.5Å; S336-K338 PolarHBondContact O-N 3.23Å; S336-G339 WeakPolarHBondContact O-CA 3.28Å; S336-G339 PolarHBondContact O-N 3.48Å
337	N	93.4	Very high	95.9	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.037	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-40.3	-175.7	-69.1	-6.4	0	0	0	112.3	C215 E334 G339 S508 Y509 Y510	C215-N337 WeakPolarHBondContact CB-OD1 3.48Å; C215-N337 PolarHBondContact O-OD1 3.15Å; E334-N337 HydrophobicContact CB-CB 3.97Å; E334-N337 PolarHBondContact O-N 3.28Å; N337-G339 PolarHBondContact O-N 3.02Å; N337-S508 CarbonylContact O-C 3.44Å; N337-S508 VanDerWaalsContact O-CA 3.27Å; N337-S508 WeakPolarHBondContact O-CA 3.21Å; N337-S508 WeakPolarHBondContact O-CB 3.39Å; N337-Y509 PolarHBondContact O-N 3Å; N337-Y510 PolarHBondContact O-N 2.87Å
338	K	95.3	Very high	95.9	Very high	15 Å²	15	22.7 Å²	22.7	7%	0.065	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.5	174.4	-64.2	-66.4	178.4	177	0	113.2	E334 S336 M369 E511	E334-K338 HydrophobicContact CB-CG 4.16Å; E334-K338 WeakPolarHBondContact O-CB 3.45Å; E334-K338 PolarHBondContact O-N 2.95Å; S336-K338 PolarHBondContact O-N 3.23Å; K338-M369 HydrophobicContact CB-CE 4Å; K338-E511 WeakPolarHBondContact CD-OE2 3.22Å; K338-E511 IonicContact NZ-OE1 3.78Å; K338-E511 PolarHBondContact NZ-OE1 2.9Å; K338-E511 IonicContact NZ-OE2 2.93Å; K338-E511 PolarHBondContact NZ-OE2 3.17Å
339	G	95.8	Very high	95.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	23.5	176.6	0	0	0	0	0	114.5	S336 N337 D341 M342 F343 P507	S336-G339 WeakPolarHBondContact O-CA 3.28Å; S336-G339 PolarHBondContact O-N 3.48Å; N337-G339 PolarHBondContact O-N 3.02Å; G339-D341 VanDerWaalsContact CA-OD1 3.25Å; G339-D341 WeakPolarHBondContact CA-OD1 3.37Å; G339-D341 PolarHBondContact O-N 2.97Å; G339-M342 PolarHBondContact O-N 3.48Å; G339-F343 WeakPolarHBondContact O-CB 3.5Å; G339-F343 PolarHBondContact O-N 3.43Å; G339-P507 WeakPolarHBondContact O-CG 3.46Å
340	A	97.1	Very high	95.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.6	-32.2	177.9	0	0	0	0	0	111.5	I329 F335 L344 F367 M369 I457	I329-A340 HydrophobicContact CD1-CB 4.48Å; F335-A340 HydrophobicContact CD2-CB 3.84Å; F335-A340 HydrophobicContact CE2-CB 4.22Å; F335-A340 WeakPolarHBondContact O-CB 3.47Å; F335-A340 PolarHBondContact O-N 3.49Å; A340-L344 WeakPolarHBondContact O-CB 3.36Å; A340-L344 VanDerWaalsContact O-CG 3.27Å; A340-L344 WeakPolarHBondContact O-CG 3.35Å; A340-L344 PolarHBondContact O-N 3.04Å; A340-F367 HydrophobicContact CB-CE1 4.29Å; A340-M369 HydrophobicContact CB-CE 4.09Å; A340-M369 HydrophobicContact CB-SD 4.32Å; A340-I457 HydrophobicContact CB-CD1 4.48Å; A340-I457 HydrophobicContact CB-CG1 4.49Å
341	D	96.1	Very high	96	Very high	49 Å²	49	25.6 Å²	25.6	26%	0.262	13%	0.125	S	C	.	.	H	α-helix	trans	-57.3	-55.7	171.6	63.9	-30.3	0	0	0	112.5	F335 G339 F343 L344 E345	F335-D341 HydrophobicContact CD1-CB 4.12Å; F335-D341 HydrophobicContact CE1-CB 3.54Å; F335-D341 HydrophobicContact CE2-CB 4.08Å; F335-D341 HydrophobicContact CZ-CB 3.5Å; F335-D341 PolarHBondContact O-N 3.39Å; G339-D341 VanDerWaalsContact CA-OD1 3.25Å; G339-D341 WeakPolarHBondContact CA-OD1 3.37Å; G339-D341 PolarHBondContact O-N 2.97Å; D341-F343 VanDerWaalsContact C-N 3.32Å; D341-F343 PolarHBondContact O-N 3.2Å; D341-L344 PolarHBondContact O-N 2.99Å; D341-E345 PolarHBondContact O-N 3.14Å
342	M	96.5	Very high	96.2	Very high	11 Å²	11	31 Å²	31	5%	0.054	14%	0.143	C	C	.	.	H	α-helix	trans	-68.4	-34.7	-179.6	-167.1	-179.9	83.2	0	0	111.2	G339 E345 A346 P507 V554 R556 C565 L568	G339-M342 PolarHBondContact O-N 3.48Å; M342-E345 PolarHBondContact O-N 3.29Å; M342-A346 WeakPolarHBondContact O-CB 3.39Å; M342-A346 PolarHBondContact O-N 3.4Å; M342-P507 HydrophobicContact CE-CB 3.43Å; M342-P507 VanDerWaalsContact CE-CB 3.43Å; M342-P507 HydrophobicContact CE-CG 4.29Å; M342-V554 HydrophobicContact CE-CG1 4.16Å; M342-R556 HydrophobicContact CE-CG 4.39Å; M342-R556 PolarHBondContact SD-NH1 2.81Å; M342-C565 HydrophobicContact CG-CB 4.05Å; M342-L568 HydrophobicContact CE-CB 4.24Å; M342-L568 HydrophobicContact CE-CD2 3.68Å
343	F	98.4	Very high	96.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.2	-48.7	177.1	-173.4	-151.2	0	0	0	111.3	I329 G339 D341 E345 A346 L347 V365 F367 V505 P507 L568 L572	I329-F343 HydrophobicContact CB-CD1 4Å; I329-F343 HydrophobicContact CB-CE1 3.97Å; I329-F343 HydrophobicContact CD1-CD1 4.26Å; I329-F343 HydrophobicContact CG2-CD1 3.86Å; I329-F343 HydrophobicContact CG2-CE1 3.91Å; G339-F343 WeakPolarHBondContact O-CB 3.5Å; G339-F343 PolarHBondContact O-N 3.43Å; D341-F343 VanDerWaalsContact C-N 3.32Å; D341-F343 PolarHBondContact O-N 3.2Å; F343-E345 VanDerWaalsContact C-N 3.3Å; F343-E345 PolarHBondContact O-N 3.26Å; F343-A346 PolarHBondContact O-N 3.45Å; F343-A346 VanDerWaalsContact O-N 3.15Å; F343-L347 HydrophobicContact CD1-CD1 4.48Å; F343-L347 HydrophobicContact CD2-CD1 4.28Å; F343-L347 HydrophobicContact CD2-CD2 4.2Å; F343-L347 HydrophobicContact CD2-CG 3.95Å; F343-L347 HydrophobicContact CE1-CD1 4.29Å; F343-L347 HydrophobicContact CE2-CD1 4.07Å; F343-L347 HydrophobicContact CE2-CD2 3.56Å; F343-L347 HydrophobicContact CE2-CG 3.78Å; F343-L347 HydrophobicContact CG-CD1 4.49Å; F343-L347 HydrophobicContact CZ-CD1 4.08Å; F343-L347 HydrophobicContact CZ-CD2 4.03Å; F343-L347 HydrophobicContact CZ-CG 4.27Å; F343-L347 VanDerWaalsContact O-CG 3.28Å; F343-L347 WeakPolarHBondContact O-CG 3.38Å; F343-L347 PolarHBondContact O-N 2.96Å; F343-V365 HydrophobicContact CE1-CG1 3.46Å; F343-V365 VanDerWaalsContact CE1-CG1 3.46Å; F343-V365 HydrophobicContact CZ-CG1 3.43Å; F343-V365 VanDerWaalsContact CZ-CG1 3.43Å; F343-F367 AromaticContact CD1-CE1 3.81Å; F343-F367 HydrophobicContact CD1-CE1 3.81Å; F343-F367 HydrophobicContact CD1-CE2 4.41Å; F343-F367 AromaticContact CD1-CZ 3.57Å; F343-F367 HydrophobicContact CD1-CZ 3.57Å; F343-F367 HydrophobicContact CE1-CE1 4.4Å; F343-F367 HydrophobicContact CE1-CE2 4.32Å; F343-F367 AromaticContact CE1-CZ 3.92Å; F343-F367 HydrophobicContact CE1-CZ 3.92Å; F343-F367 HydrophobicContact CG-CZ 4.4Å; F343-V505 HydrophobicContact CD2-CB 4.29Å; F343-V505 HydrophobicContact CD2-CG1 3.56Å; F343-V505 HydrophobicContact CE1-CB 4.13Å; F343-V505 HydrophobicContact CE1-CG1 4.4Å; F343-V505 HydrophobicContact CE2-CB 3.77Å; F343-V505 HydrophobicContact CE2-CG1 3.44Å; F343-V505 VanDerWaalsContact CE2-CG1 3.44Å; F343-V505 HydrophobicContact CE2-CG2 4Å; F343-V505 HydrophobicContact CG-CG1 4.12Å; F343-V505 HydrophobicContact CZ-CB 3.67Å; F343-V505 HydrophobicContact CZ-CG1 3.88Å; F343-V505 HydrophobicContact CZ-CG2 3.93Å; F343-P507 HydrophobicContact CB-CG 3.99Å; F343-L568 HydrophobicContact CD2-CD2 4.43Å; F343-L572 HydrophobicContact CD2-CD1 4.42Å; F343-L572 HydrophobicContact CE2-CD1 4.03Å
344	L	98.3	Very high	96.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.9	-41.2	177.5	-75.3	167.5	0	0	0	112.3	F335 A340 D341 L347 S348 F367 I457 T460 I461 I464	F335-L344 HydrophobicContact CE2-CD1 4.1Å; A340-L344 WeakPolarHBondContact O-CB 3.36Å; A340-L344 VanDerWaalsContact O-CG 3.27Å; A340-L344 WeakPolarHBondContact O-CG 3.35Å; A340-L344 PolarHBondContact O-N 3.04Å; D341-L344 PolarHBondContact O-N 2.99Å; L344-L347 WeakPolarHBondContact O-CB 3.49Å; L344-L347 PolarHBondContact O-N 2.84Å; L344-S348 PolarHBondContact O-N 2.87Å; L344-S348 VanDerWaalsContact O-N 3.11Å; L344-F367 HydrophobicContact CD1-CE1 4.45Å; L344-F367 HydrophobicContact CD2-CE1 4.04Å; L344-F367 HydrophobicContact CD2-CE2 3.9Å; L344-F367 HydrophobicContact CD2-CZ 3.39Å; L344-F367 HydrophobicContact CG-CE1 3.94Å; L344-F367 HydrophobicContact CG-CZ 3.69Å; L344-I457 HydrophobicContact CD1-CG2 4.18Å; L344-T460 HydrophobicContact CB-CG2 3.8Å; L344-T460 HydrophobicContact CD1-CG2 3.67Å; L344-T460 HydrophobicContact CG-CG2 4.36Å; L344-I461 HydrophobicContact CD2-CD1 4.39Å; L344-I461 HydrophobicContact CD2-CG1 3.79Å; L344-I464 HydrophobicContact CB-CD1 4.14Å; L344-I464 HydrophobicContact CD2-CD1 4.45Å; L344-I464 WeakPolarHBondContact O-CD1 3.34Å
345	E	98.1	Very high	96.9	Very high	53 Å²	53	29 Å²	29	25%	0.248	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-43.7	175.8	-169.9	58.9	-142.8	0	0	111.5	D341 M342 F343 L347 S348 R349 R463	D341-E345 PolarHBondContact O-N 3.14Å; M342-E345 PolarHBondContact O-N 3.29Å; F343-E345 VanDerWaalsContact C-N 3.3Å; F343-E345 PolarHBondContact O-N 3.26Å; E345-L347 VanDerWaalsContact C-N 3.29Å; E345-L347 PolarHBondContact O-N 3.46Å; E345-S348 WeakPolarHBondContact O-CB 3.28Å; E345-S348 PolarHBondContact O-N 2.87Å; E345-R349 PolarHBondContact O-N 3.22Å; E345-R349 IonicContact OE1-NE 2.72Å; E345-R349 IonicContact OE1-NH2 3.82Å; E345-R463 IonicContact OE2-NH2 3.63Å; E345-R463 PolarHBondContact OE2-NH2 3.34Å
346	A	98.5	Very high	97.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-33.6	176.6	0	0	0	0	0	112.6	M342 F343 R349 L350 C565 L568 T569 L572	M342-A346 WeakPolarHBondContact O-CB 3.39Å; M342-A346 PolarHBondContact O-N 3.4Å; F343-A346 PolarHBondContact O-N 3.45Å; F343-A346 VanDerWaalsContact O-N 3.15Å; A346-R349 PolarHBondContact O-N 2.76Å; A346-L350 WeakPolarHBondContact O-CB 3.38Å; A346-L350 PolarHBondContact O-N 3.18Å; A346-C565 PolarHBondContact N-SG 3.32Å; A346-L568 HydrophobicContact CB-CB 4.21Å; A346-L568 HydrophobicContact CB-CD2 3.61Å; A346-L568 HydrophobicContact CB-CG 3.74Å; A346-T569 WeakPolarHBondContact CA-OG1 3.5Å; A346-T569 PolarHBondContact O-OG1 3.03Å; A346-L572 HydrophobicContact CB-CD1 4.41Å
347	L	98.5	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.4	-36.7	174.5	-69.3	177.9	0	0	0	112.5	F343 L344 E345 L350 N351 V365 F367 L466 V474 V476 L572	F343-L347 HydrophobicContact CD1-CD1 4.48Å; F343-L347 HydrophobicContact CD2-CD1 4.28Å; F343-L347 HydrophobicContact CD2-CD2 4.2Å; F343-L347 HydrophobicContact CD2-CG 3.95Å; F343-L347 HydrophobicContact CE1-CD1 4.29Å; F343-L347 HydrophobicContact CE2-CD1 4.07Å; F343-L347 HydrophobicContact CE2-CD2 3.56Å; F343-L347 HydrophobicContact CE2-CG 3.78Å; F343-L347 HydrophobicContact CG-CD1 4.49Å; F343-L347 HydrophobicContact CZ-CD1 4.08Å; F343-L347 HydrophobicContact CZ-CD2 4.03Å; F343-L347 HydrophobicContact CZ-CG 4.27Å; F343-L347 VanDerWaalsContact O-CG 3.28Å; F343-L347 WeakPolarHBondContact O-CG 3.38Å; F343-L347 PolarHBondContact O-N 2.96Å; L344-L347 WeakPolarHBondContact O-CB 3.49Å; L344-L347 PolarHBondContact O-N 2.84Å; E345-L347 VanDerWaalsContact C-N 3.29Å; E345-L347 PolarHBondContact O-N 3.46Å; L347-L350 HydrophobicContact CD2-CD2 4.27Å; L347-L350 PolarHBondContact O-N 3.26Å; L347-N351 WeakPolarHBondContact O-CB 3.32Å; L347-N351 PolarHBondContact O-N 3.49Å; L347-V365 HydrophobicContact CD1-CB 4.1Å; L347-V365 HydrophobicContact CD1-CG1 3.86Å; L347-V365 HydrophobicContact CD1-CG2 3.96Å; L347-V365 HydrophobicContact CD2-CG2 3.74Å; L347-V365 HydrophobicContact CG-CG2 4.5Å; L347-F367 HydrophobicContact CD1-CE2 4.07Å; L347-F367 HydrophobicContact CD1-CZ 4.04Å; L347-L466 HydrophobicContact CB-CD1 4.08Å; L347-V474 HydrophobicContact CB-CG1 4.22Å; L347-V474 HydrophobicContact CD2-CG1 4.05Å; L347-V476 HydrophobicContact CD1-CG2 4.38Å; L347-L572 HydrophobicContact CD2-CD1 4.3Å
348	S	98.2	Very high	97.3	Very high	32 Å²	32	43.1 Å²	43.1	22%	0.224	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-48	173.6	-175.8	0	0	0	0	111	L344 E345 L350 N351 F352	L344-S348 PolarHBondContact O-N 2.87Å; L344-S348 VanDerWaalsContact O-N 3.11Å; E345-S348 WeakPolarHBondContact O-CB 3.28Å; E345-S348 PolarHBondContact O-N 2.87Å; S348-L350 PolarHBondContact O-N 3.4Å; S348-N351 WeakPolarHBondContact O-CB 3.31Å; S348-N351 PolarHBondContact O-N 3.4Å; S348-F352 PolarHBondContact O-N 3.42Å; S348-F352 VanDerWaalsContact O-N 3.08Å
349	R	98.3	Very high	97.2	Very high	57 Å²	57	43.7 Å²	43.7	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-41.5	175.9	-60.7	175.3	-169.6	-162.4	0.4	111.8	E345 A346 F352 L353 D562 N566 T569	E345-R349 PolarHBondContact O-N 3.22Å; E345-R349 IonicContact OE1-NE 2.72Å; E345-R349 IonicContact OE1-NH2 3.82Å; A346-R349 PolarHBondContact O-N 2.76Å; R349-F352 WeakPolarHBondContact O-CB 3.27Å; R349-F352 PolarHBondContact O-N 2.81Å; R349-L353 WeakPolarHBondContact O-CG 3.28Å; R349-L353 PolarHBondContact O-N 2.81Å; R349-D562 IonicContact CZ-OD1 2.6Å; R349-D562 VanDerWaalsContact CZ-OD1 3.25Å; R349-D562 PolarHBondContact NH1-O 3.21Å; R349-D562 IonicContact NH1-OD1 2.81Å; R349-D562 PolarHBondContact NH1-OD1 3.26Å; R349-D562 IonicContact NH1-OD2 3.87Å; R349-D562 IonicContact NH2-OD1 3.53Å; R349-D562 PolarHBondContact NH2-OD1 3.37Å; R349-N566 VanDerWaalsContact NH1-CG 3.25Å; R349-N566 PolarHBondContact NH1-OD1 3Å; R349-T569 HydrophobicContact CB-CG2 3.71Å
350	L	98.5	Very high	97.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-43.9	175.1	179.7	64.9	0	0	0	112	F327 A346 L347 S348 F352 L353 L354 V363 V474 L572 Y573	F327-L350 HydrophobicContact CE2-CD2 4.41Å; A346-L350 WeakPolarHBondContact O-CB 3.38Å; A346-L350 PolarHBondContact O-N 3.18Å; L347-L350 HydrophobicContact CD2-CD2 4.27Å; L347-L350 PolarHBondContact O-N 3.26Å; S348-L350 PolarHBondContact O-N 3.4Å; L350-F352 VanDerWaalsContact C-N 3.3Å; L350-F352 PolarHBondContact O-N 3.18Å; L350-L353 PolarHBondContact O-N 2.79Å; L350-L354 HydrophobicContact CD1-CD1 4.14Å; L350-L354 HydrophobicContact CD1-CG 4.13Å; L350-L354 HydrophobicContact CG-CD1 3.97Å; L350-L354 HydrophobicContact CG-CG 4.36Å; L350-L354 WeakPolarHBondContact O-CG 3.45Å; L350-L354 PolarHBondContact O-N 2.82Å; L350-V363 HydrophobicContact CD2-CG2 4.43Å; L350-V474 HydrophobicContact CB-CG2 4.35Å; L350-V474 HydrophobicContact CD2-CG2 4.01Å; L350-V474 HydrophobicContact CG-CG2 3.99Å; L350-L572 HydrophobicContact CD1-CB 4.31Å; L350-L572 HydrophobicContact CD2-CB 3.95Å; L350-L572 HydrophobicContact CD2-CD1 4.32Å; L350-Y573 HydrophobicContact CD1-CD2 4.12Å
351	N	98.3	Very high	97.1	Very high	11 Å²	11	48.6 Å²	48.6	6%	0.059	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-44	176.7	-171.7	44.7	0	0	0	111	L347 S348 R355 L466 D472 R473 V474	L347-N351 WeakPolarHBondContact O-CB 3.32Å; L347-N351 PolarHBondContact O-N 3.49Å; S348-N351 WeakPolarHBondContact O-CB 3.31Å; S348-N351 PolarHBondContact O-N 3.4Å; N351-R355 WeakPolarHBondContact O-CB 3.44Å; N351-R355 VanDerWaalsContact O-CG 3.22Å; N351-R355 WeakPolarHBondContact O-CG 3.47Å; N351-R355 PolarHBondContact O-N 2.92Å; N351-R355 VanDerWaalsContact O-N 3.09Å; N351-L466 HydrophobicContact CB-CD2 3.99Å; N351-L466 WeakPolarHBondContact ND2-CD2 3.28Å; N351-D472 PolarHBondContact ND2-OD1 3.19Å; N351-D472 WeakPolarHBondContact OD1-CA 3.39Å; N351-R473 PolarHBondContact OD1-N 3.03Å; N351-V474 HydrophobicContact CB-CB 4Å; N351-V474 HydrophobicContact CB-CG2 3.84Å; N351-V474 PolarHBondContact OD1-N 3.1Å; N351-V474 VanDerWaalsContact OD1-N 3.12Å
352	F	97.9	Very high	97.2	Very high	136 Å²	136	46.3 Å²	46.3	60%	0.596	22%	0.222	S	C	*	.	H	α-helix	trans	-60.1	-50.7	175.3	178.4	-97.8	0	0	0	111.8	S348 R349 L350 L354 R355 V356	S348-F352 PolarHBondContact O-N 3.42Å; S348-F352 VanDerWaalsContact O-N 3.08Å; R349-F352 WeakPolarHBondContact O-CB 3.27Å; R349-F352 PolarHBondContact O-N 2.81Å; L350-F352 VanDerWaalsContact C-N 3.3Å; L350-F352 PolarHBondContact O-N 3.18Å; F352-L354 PolarHBondContact O-N 2.96Å; F352-R355 PolarHBondContact O-N 3.46Å; F352-V356 HydrophobicContact CD1-CG2 4.16Å; F352-V356 HydrophobicContact CD2-CG2 4.22Å; F352-V356 HydrophobicContact CE1-CG2 3.77Å; F352-V356 HydrophobicContact CE2-CG2 3.83Å; F352-V356 HydrophobicContact CG-CG2 4.37Å; F352-V356 HydrophobicContact CZ-CG2 3.59Å; F352-V356 WeakPolarHBondContact O-CG2 3.22Å; F352-V356 PolarHBondContact O-N 2.67Å
353	L	97.8	Very high	97.3	Very high	37 Å²	37	45.8 Å²	45.8	19%	0.194	22%	0.219	C	C	.	.	H	α-helix	trans	-59.3	-47.6	179.6	-70.1	175.2	0	0	0	112.3	R349 L350 R355 V356 H357 T569 Y573	R349-L353 WeakPolarHBondContact O-CG 3.28Å; R349-L353 PolarHBondContact O-N 2.81Å; L350-L353 PolarHBondContact O-N 2.79Å; L353-R355 VanDerWaalsContact C-N 3.27Å; L353-R355 PolarHBondContact O-N 2.8Å; L353-V356 PolarHBondContact O-N 3.29Å; L353-H357 WeakPolarHBondContact O-CB 3.22Å; L353-H357 PolarHBondContact O-CD2 3.49Å; L353-H357 VanDerWaalsContact O-CD2 3.27Å; L353-H357 PolarHBondContact O-N 2.84Å; L353-T569 HydrophobicContact CD1-CG2 3.65Å; L353-Y573 HydrophobicContact CB-CD2 4.02Å; L353-Y573 HydrophobicContact CB-CE2 4.1Å; L353-Y573 HydrophobicContact CD1-CD2 4.37Å; L353-Y573 HydrophobicContact CD1-CG 4.21Å
354	L	97.6	Very high	97.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-35.4	179.2	-69.7	174.6	0	0	0	112.1	L350 F352 K358 S359 V363 R473 V474 Y573 C576	L350-L354 HydrophobicContact CD1-CD1 4.14Å; L350-L354 HydrophobicContact CD1-CG 4.13Å; L350-L354 HydrophobicContact CG-CD1 3.97Å; L350-L354 HydrophobicContact CG-CG 4.36Å; L350-L354 WeakPolarHBondContact O-CG 3.45Å; L350-L354 PolarHBondContact O-N 2.82Å; F352-L354 PolarHBondContact O-N 2.96Å; L354-K358 PolarHBondContact O-N 3.08Å; L354-S359 PolarHBondContact O-N 3.17Å; L354-V363 HydrophobicContact CD1-CG2 4.09Å; L354-R473 HydrophobicContact CB-CB 3.66Å; L354-R473 HydrophobicContact CB-CG 4.01Å; L354-R473 HydrophobicContact CD1-CB 3.99Å; L354-R473 HydrophobicContact CG-CB 4.5Å; L354-V474 HydrophobicContact CD1-CG2 4.1Å; L354-Y573 HydrophobicContact CD2-CD2 4.15Å; L354-Y573 HydrophobicContact CD2-CE2 4.09Å; L354-C576 HydrophobicContact CD2-CB 4.29Å
355	R	96.3	Very high	97.3	Very high	121 Å²	121	45.8 Å²	45.8	46%	0.457	22%	0.219	S	C	.	.	H	α-helix	trans	-71.5	-46.3	176.5	-73.7	176.3	64	-176.1	-4.3	112.3	N351 F352 L353 K358 T471 D472 R473	N351-R355 WeakPolarHBondContact O-CB 3.44Å; N351-R355 VanDerWaalsContact O-CG 3.22Å; N351-R355 WeakPolarHBondContact O-CG 3.47Å; N351-R355 PolarHBondContact O-N 2.92Å; N351-R355 VanDerWaalsContact O-N 3.09Å; F352-R355 PolarHBondContact O-N 3.46Å; L353-R355 VanDerWaalsContact C-N 3.27Å; L353-R355 PolarHBondContact O-N 2.8Å; R355-K358 PolarHBondContact O-N 2.84Å; R355-T471 WeakPolarHBondContact CD-O 3.49Å; R355-D472 IonicContact NH1-OD1 2.75Å; R355-R473 HydrophobicContact CG-CG 3.95Å
356	V	96.8	Very high	97.4	Very high	84 Å²	84	43.3 Å²	43.3	51%	0.509	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-43.9	-180	170.3	0	0	0	0	110.9	F352 L353 K358	F352-V356 HydrophobicContact CD1-CG2 4.16Å; F352-V356 HydrophobicContact CD2-CG2 4.22Å; F352-V356 HydrophobicContact CE1-CG2 3.77Å; F352-V356 HydrophobicContact CE2-CG2 3.83Å; F352-V356 HydrophobicContact CG-CG2 4.37Å; F352-V356 HydrophobicContact CZ-CG2 3.59Å; F352-V356 WeakPolarHBondContact O-CG2 3.22Å; F352-V356 PolarHBondContact O-N 2.67Å; L353-V356 PolarHBondContact O-N 3.29Å; V356-K358 PolarHBondContact O-N 2.75Å
357	H	95.8	Very high	97.4	Very high	117 Å²	117	43.3 Å²	43.3	54%	0.542	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	2.3	176.1	-73.1	-81	0	0	0	113.8	L353 S359 Y573	L353-H357 WeakPolarHBondContact O-CB 3.22Å; L353-H357 PolarHBondContact O-CD2 3.49Å; L353-H357 VanDerWaalsContact O-CD2 3.27Å; L353-H357 PolarHBondContact O-N 2.84Å; H357-S359 PolarHBondContact O-N 3.42Å; H357-S359 VanDerWaalsContact O-N 3.15Å; H357-Y573 PolarHBondContact CD2-OH 3.1Å
358	K	94.3	Very high	97.3	Very high	181 Å²	181	43.7 Å²	43.7	79%	0.787	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	38.1	-178.8	-59.9	-179.9	-179.7	175.8	0	113	L354 R355 V356	L354-K358 PolarHBondContact O-N 3.08Å; R355-K358 PolarHBondContact O-N 2.84Å; V356-K358 PolarHBondContact O-N 2.75Å
359	S	94.3	Very high	97.2	Very high	26 Å²	26	42.1 Å²	42.1	18%	0.182	20%	0.198	C	C	.	.			trans	-60.1	143.5	177.4	-176.2	0	0	0	0	110.5	L354 H357 V361 R473	L354-S359 PolarHBondContact O-N 3.17Å; H357-S359 PolarHBondContact O-N 3.42Å; H357-S359 VanDerWaalsContact O-N 3.15Å; S359-V361 WeakPolarHBondContact OG-CB 3.39Å; S359-V361 PolarHBondContact OG-N 3.06Å; S359-R473 PolarHBondContact O-NE 3.31Å; S359-R473 PolarHBondContact O-NH2 3.42Å; S359-R473 VanDerWaalsContact O-NH2 3.14Å
360	D	93.9	Very high	97	Very high	83 Å²	83	41.1 Å²	41.1	44%	0.444	20%	0.199	S	C	.	.			trans	-89.6	-8.4	172.8	62.2	-15.4	0	0	0	112.4	K323	K323-D360 HydrophobicContact CD-CB 4.33Å; K323-D360 WeakPolarHBondContact CD-OD2 3.31Å; K323-D360 WeakPolarHBondContact CE-OD2 3.48Å; K323-D360 IonicContact NZ-OD2 2.8Å; K323-D360 PolarHBondContact NZ-OD2 3.38Å
361	V	96.9	Very high	96.9	Very high	21 Å²	21	42.6 Å²	42.6	13%	0.127	21%	0.211	C	C	.	.			trans	-72.1	136.4	174.2	178.6	0	0	0	0	109.9	K323 L325 S359 C576	K323-V361 WeakPolarHBondContact O-CA 3.44Å; L325-V361 HydrophobicContact CD1-CG1 3.97Å; L325-V361 HydrophobicContact CG-CG1 4.14Å; S359-V361 WeakPolarHBondContact OG-CB 3.39Å; S359-V361 PolarHBondContact OG-N 3.06Å; V361-C576 HydrophobicContact CG1-CB 4.35Å
362	T	98.3	Very high	96.7	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.6	171.3	-58.9	0	0	0	0	109.2	F319 K323 T324 L325 R473 K475	F319-T362 HydrophobicContact CB-CG2 4.28Å; F319-T362 WeakPolarHBondContact CB-OG1 3.4Å; F319-T362 HydrophobicContact CD1-CG2 4.29Å; F319-T362 HydrophobicContact CD2-CG2 3.75Å; F319-T362 HydrophobicContact CE2-CG2 4.08Å; F319-T362 HydrophobicContact CG-CG2 3.85Å; F319-T362 HydrophobicContact CZ-CG2 4.5Å; K323-T362 PolarHBondContact O-N 3.42Å; K323-T362 VanDerWaalsContact O-N 3.09Å; T324-T362 CarbonylContact C-O 3.59Å; T324-T362 WeakPolarHBondContact CA-O 3.36Å; L325-T362 PolarHBondContact N-O 3.28Å; T362-R473 CarbonylContact C-O 3.56Å; T362-R473 WeakPolarHBondContact CA-O 3.35Å; T362-K475 HydrophobicContact CG2-CG 4.16Å
363	V	98.6	Very high	96.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.5	176.3	-176.2	0	0	0	0	108.1	L325 F327 L350 L354 V365 R473 V474 K475 C576	L325-V363 WeakPolarHBondContact O-CA 3.46Å; F327-V363 HydrophobicContact CB-CG1 4.41Å; F327-V363 HydrophobicContact CD1-CG1 4.32Å; F327-V363 HydrophobicContact CD2-CG1 3.41Å; F327-V363 VanDerWaalsContact CD2-CG1 3.41Å; F327-V363 HydrophobicContact CE1-CG1 4.49Å; F327-V363 HydrophobicContact CE2-CG1 3.61Å; F327-V363 HydrophobicContact CE2-CG2 4.35Å; F327-V363 HydrophobicContact CG-CG1 3.79Å; F327-V363 HydrophobicContact CZ-CG1 4.16Å; F327-V363 HydrophobicContact CZ-CG2 4.5Å; L350-V363 HydrophobicContact CD2-CG2 4.43Å; L354-V363 HydrophobicContact CD1-CG2 4.09Å; V363-V365 HydrophobicContact CG1-CG2 3.73Å; V363-R473 PolarHBondContact N-O 2.9Å; V363-V474 HydrophobicContact CB-CG2 4.34Å; V363-V474 CarbonylContact O-C 3.53Å; V363-V474 WeakPolarHBondContact O-CA 3.31Å; V363-K475 PolarHBondContact O-N 3.39Å; V363-C576 VanDerWaalsContact CG2-SG 3.58Å
364	V	98.8	Very high	96.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.2	170.7	177.5	0	0	0	0	107.7	V309 F319 T324 L325 F326 F327 F366 K475 I477	V309-V364 HydrophobicContact CG2-CG1 4.37Å; F319-V364 HydrophobicContact CE2-CG2 4.46Å; T324-V364 HydrophobicContact CG2-CB 4.29Å; T324-V364 HydrophobicContact CG2-CG2 3.68Å; L325-V364 PolarHBondContact O-N 2.83Å; F326-V364 WeakPolarHBondContact CA-O 3.48Å; F326-V364 HydrophobicContact CD1-CB 3.92Å; F326-V364 HydrophobicContact CD1-CG1 4.45Å; F326-V364 HydrophobicContact CE1-CB 4.08Å; F326-V364 HydrophobicContact CE1-CG2 4.38Å; F327-V364 PolarHBondContact N-O 3.35Å; V364-F366 HydrophobicContact CG1-CD2 4.43Å; V364-F366 HydrophobicContact CG1-CE2 3.82Å; V364-F366 HydrophobicContact CG1-CZ 4.17Å; V364-K475 WeakPolarHBondContact CA-O 3.4Å; V364-K475 HydrophobicContact CG2-CB 4.11Å; V364-K475 HydrophobicContact CG2-CG 4.17Å; V364-I477 HydrophobicContact CG1-CD1 3.71Å; V364-I477 HydrophobicContact CG1-CG1 4.25Å
365	V	98.8	Very high	95.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.5	-172.3	-171	0	0	0	0	110.5	F327 F343 L347 V363 F367 V474 K475 I477	F327-V365 HydrophobicContact CB-CG1 4.37Å; F327-V365 HydrophobicContact CB-CG2 4.24Å; F327-V365 CarbonylContact O-C 3.5Å; F327-V365 VanDerWaalsContact O-CA 3.31Å; F327-V365 WeakPolarHBondContact O-CA 3.47Å; F343-V365 HydrophobicContact CE1-CG1 3.46Å; F343-V365 VanDerWaalsContact CE1-CG1 3.46Å; F343-V365 HydrophobicContact CZ-CG1 3.43Å; F343-V365 VanDerWaalsContact CZ-CG1 3.43Å; L347-V365 HydrophobicContact CD1-CB 4.1Å; L347-V365 HydrophobicContact CD1-CG1 3.86Å; L347-V365 HydrophobicContact CD1-CG2 3.96Å; L347-V365 HydrophobicContact CD2-CG2 3.74Å; L347-V365 HydrophobicContact CG-CG2 4.5Å; V363-V365 HydrophobicContact CG1-CG2 3.73Å; V365-F367 HydrophobicContact CB-CE2 4.45Å; V365-F367 HydrophobicContact CG1-CD2 4.25Å; V365-F367 HydrophobicContact CG1-CE2 3.74Å; V365-F367 HydrophobicContact CG1-CZ 4.47Å; V365-V474 HydrophobicContact CG2-CG1 3.98Å; V365-K475 PolarHBondContact N-O 3.23Å; V365-I477 PolarHBondContact O-N 2.99Å
366	F	98.7	Very high	95.8	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.1	177.8	-67.4	-96.4	0	0	0	111.2	I305 F308 V309 F326 F327 F328 I329 V364 I368 I477 F497	I305-F366 HydrophobicContact CG2-CE2 4.01Å; I305-F366 HydrophobicContact CG2-CZ 3.85Å; F308-F366 AromaticContact CD1-CE1 3.93Å; F308-F366 HydrophobicContact CD1-CE1 3.93Å; F308-F366 HydrophobicContact CD1-CZ 4.1Å; F308-F366 AromaticContact CE1-CE1 3.63Å; F308-F366 HydrophobicContact CE1-CE1 3.63Å; F308-F366 HydrophobicContact CE1-CZ 4.15Å; V309-F366 HydrophobicContact CG2-CZ 4.22Å; F326-F366 AromaticContact CD1-CE2 3.99Å; F326-F366 HydrophobicContact CD1-CE2 3.99Å; F327-F366 PolarHBondContact O-N 2.92Å; F328-F366 CarbonylContact C-O 3.21Å; F328-F366 WeakPolarHBondContact CA-O 3.4Å; F328-F366 HydrophobicContact CB-CB 4Å; I329-F366 PolarHBondContact N-O 3.16Å; V364-F366 HydrophobicContact CG1-CD2 4.43Å; V364-F366 HydrophobicContact CG1-CE2 3.82Å; V364-F366 HydrophobicContact CG1-CZ 4.17Å; F366-I368 HydrophobicContact CB-CD1 4.04Å; F366-I368 HydrophobicContact CB-CG1 4.44Å; F366-I477 CarbonylContact C-O 3.5Å; F366-I477 WeakPolarHBondContact CA-O 3.21Å; F366-I477 HydrophobicContact CD1-CB 4.19Å; F366-I477 HydrophobicContact CD1-CD1 4.39Å; F366-I477 HydrophobicContact CD1-CG2 4.34Å; F366-I477 HydrophobicContact CE1-CB 4.42Å; F366-I477 HydrophobicContact CE1-CD1 3.82Å; F366-I477 HydrophobicContact CE1-CG2 4.44Å; F366-I477 HydrophobicContact CZ-CD1 3.97Å; F366-F497 HydrophobicContact CB-CE2 4.46Å; F366-F497 HydrophobicContact CB-CZ 3.66Å; F366-F497 HydrophobicContact CD1-CE2 4.04Å; F366-F497 HydrophobicContact CD1-CZ 4.08Å; F366-F497 HydrophobicContact CD2-CE2 4.13Å; F366-F497 AromaticContact CD2-CZ 3.9Å; F366-F497 HydrophobicContact CD2-CZ 3.9Å; F366-F497 HydrophobicContact CE1-CE2 4.26Å; F366-F497 HydrophobicContact CE2-CE2 4.37Å; F366-F497 AromaticContact CG-CE2 3.96Å; F366-F497 HydrophobicContact CG-CE2 3.96Å; F366-F497 AromaticContact CG-CZ 3.63Å; F366-F497 HydrophobicContact CG-CZ 3.63Å; F366-F497 HydrophobicContact CZ-CE2 4.43Å
367	F	98.4	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	102.5	168.8	-71.2	-107	0	0	0	107.8	I329 A340 F343 L344 L347 V365 M369 I457 V476 I477 L478 H479	I329-F367 HydrophobicContact CG2-CB 4.15Å; I329-F367 HydrophobicContact CG2-CD1 3.26Å; I329-F367 HydrophobicContact CG2-CD2 4.38Å; I329-F367 HydrophobicContact CG2-CE1 3.61Å; I329-F367 HydrophobicContact CG2-CG 3.68Å; I329-F367 HydrophobicContact CG2-CZ 4.29Å; A340-F367 HydrophobicContact CB-CE1 4.29Å; F343-F367 AromaticContact CD1-CE1 3.81Å; F343-F367 HydrophobicContact CD1-CE1 3.81Å; F343-F367 HydrophobicContact CD1-CE2 4.41Å; F343-F367 AromaticContact CD1-CZ 3.57Å; F343-F367 HydrophobicContact CD1-CZ 3.57Å; F343-F367 HydrophobicContact CE1-CE1 4.4Å; F343-F367 HydrophobicContact CE1-CE2 4.32Å; F343-F367 AromaticContact CE1-CZ 3.92Å; F343-F367 HydrophobicContact CE1-CZ 3.92Å; F343-F367 HydrophobicContact CG-CZ 4.4Å; L344-F367 HydrophobicContact CD1-CE1 4.45Å; L344-F367 HydrophobicContact CD2-CE1 4.04Å; L344-F367 HydrophobicContact CD2-CE2 3.9Å; L344-F367 HydrophobicContact CD2-CZ 3.39Å; L344-F367 HydrophobicContact CG-CE1 3.94Å; L344-F367 HydrophobicContact CG-CZ 3.69Å; L347-F367 HydrophobicContact CD1-CE2 4.07Å; L347-F367 HydrophobicContact CD1-CZ 4.04Å; V365-F367 HydrophobicContact CB-CE2 4.45Å; V365-F367 HydrophobicContact CG1-CD2 4.25Å; V365-F367 HydrophobicContact CG1-CE2 3.74Å; V365-F367 HydrophobicContact CG1-CZ 4.47Å; F367-M369 PolarHBondContact O-N 3.02Å; F367-I457 HydrophobicContact CD1-CD1 4.2Å; F367-V476 HydrophobicContact CD2-CG1 3.79Å; F367-V476 HydrophobicContact CE2-CG1 3.68Å; F367-I477 PolarHBondContact N-O 3.39Å; F367-L478 HydrophobicContact CB-CD1 3.66Å; F367-H479 CarbonylContact O-C 3.52Å; F367-H479 PolarHBondContact O-N 3.48Å
368	I	97.7	Very high	95.4	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	82.9	178.8	-47.5	-56	0	0	0	108.3	I329 A330 G331 F366 H479 L483 F497	I329-I368 PolarHBondContact O-N 2.95Å; A330-I368 WeakPolarHBondContact CA-O 3.47Å; A330-I368 HydrophobicContact CB-CB 3.97Å; G331-I368 PolarHBondContact N-O 3.03Å; G331-I368 VanDerWaalsContact N-O 3.17Å; F366-I368 HydrophobicContact CB-CD1 4.04Å; F366-I368 HydrophobicContact CB-CG1 4.44Å; I368-H479 HydrophobicContact CD1-CB 3.69Å; I368-L483 HydrophobicContact CD1-CD1 4.35Å; I368-L483 HydrophobicContact CD1-CD2 4.26Å; I368-L483 HydrophobicContact CD1-CG 4.47Å; I368-L483 HydrophobicContact CG1-CD1 4.29Å; I368-L483 HydrophobicContact CG2-CD1 4.22Å; I368-L483 HydrophobicContact CG2-CG 4Å; I368-F497 HydrophobicContact CD1-CE1 4.32Å; I368-F497 HydrophobicContact CD1-CZ 4.23Å; I368-F497 HydrophobicContact CG1-CE1 3.95Å; I368-F497 HydrophobicContact CG1-CZ 4.31Å
369	M	96.2	Very high	95.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.			trans	-133.7	102.3	-175.1	-69.8	-170.8	173.5	0	0	110.1	I329 Y333 K338 A340 F367 A371 I457 H479 P480	I329-M369 HydrophobicContact CD1-CE 3.61Å; I329-M369 HydrophobicContact CG1-CE 3.7Å; I329-M369 HydrophobicContact CG2-CE 4.17Å; Y333-M369 HydrophobicContact CD2-CB 3.86Å; Y333-M369 WeakPolarHBondContact CD2-O 3.44Å; Y333-M369 HydrophobicContact CE2-CB 4.41Å; Y333-M369 HydrophobicContact CG-CB 4.26Å; K338-M369 HydrophobicContact CB-CE 4Å; A340-M369 HydrophobicContact CB-CE 4.09Å; A340-M369 HydrophobicContact CB-SD 4.32Å; F367-M369 PolarHBondContact O-N 3.02Å; M369-A371 PolarHBondContact O-N 3.41Å; M369-I457 HydrophobicContact SD-CD1 3.79Å; M369-H479 PolarHBondContact N-O 2.93Å; M369-P480 VanDerWaalsContact O-CA 3.23Å; M369-P480 WeakPolarHBondContact O-CA 3.29Å
370	P	94.3	Very high	95.2	Very high	35 Å²	35	41 Å²	41	23%	0.227	22%	0.219	C	C	.	.			trans	-56.4	126.7	-175.8	-25.7	33.5	0	0	0	112.6	G331 Y333 P480 F482	G331-P370 WeakPolarHBondContact O-CD 2.85Å; Y333-P370 WeakPolarHBondContact CB-O 3.5Å; P370-P480 WeakPolarHBondContact CA-O 3.29Å; P370-F482 HydrophobicContact CB-CD2 4.29Å; P370-F482 HydrophobicContact CB-CE2 4.06Å; P370-F482 HydrophobicContact CB-CZ 4.27Å; P370-F482 HydrophobicContact CG-CD1 3.7Å; P370-F482 HydrophobicContact CG-CD2 3.86Å; P370-F482 HydrophobicContact CG-CE1 3.52Å; P370-F482 HydrophobicContact CG-CE2 3.69Å; P370-F482 HydrophobicContact CG-CG 3.88Å; P370-F482 HydrophobicContact CG-CZ 3.53Å
371	A	95.1	Very high	95.1	Very high	31 Å²	31	40.2 Å²	40.2	26%	0.256	22%	0.215	S	C	.	.			trans	-133.4	175.4	-179.7	0	0	0	0	0	111.2	Y333 M369 T373 M449 P480	Y333-A371 HydrophobicContact CD2-CB 3.53Å; Y333-A371 HydrophobicContact CE2-CB 3.62Å; M369-A371 PolarHBondContact O-N 3.41Å; A371-T373 PolarHBondContact O-N 2.86Å; A371-M449 HydrophobicContact CB-CE 3.51Å; A371-M449 HydrophobicContact CB-SD 4.27Å; A371-P480 HydrophobicContact CB-CB 3.73Å; A371-P480 PolarHBondContact N-O 3Å
372	K	94.2	Very high	94.9	Very high	171 Å²	171	44.1 Å²	44.1	74%	0.743	23%	0.23	S	C	*	.			trans	-78.3	116.1	174.4	-67.3	-176.6	-179.2	176.8	0	110.2	I450	K372-I450 HydrophobicContact CB-CB 4.32Å; K372-I450 HydrophobicContact CB-CD1 3.98Å; K372-I450 HydrophobicContact CB-CG1 4.26Å; K372-I450 PolarHBondContact O-N 2.92Å
373	T	94.8	Very high	94.6	Very high	40 Å²	40	44 Å²	44	25%	0.245	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	155.5	-174.6	58.6	0	0	0	0	113	A371 H447 N448 M449 P480	A371-T373 PolarHBondContact O-N 2.86Å; T373-H447 HydrophobicContact CG2-CB 3.7Å; T373-N448 CarbonylContact C-O 3.51Å; T373-N448 VanDerWaalsContact CA-O 3.32Å; T373-N448 WeakPolarHBondContact CA-O 3.47Å; T373-M449 HydrophobicContact CG2-SD 3.81Å; T373-P480 HydrophobicContact CG2-CB 3.9Å; T373-P480 HydrophobicContact CG2-CG 3.58Å
374	N	92.5	Very high	94.3	Very high	98 Å²	98	44.9 Å²	44.9	52%	0.524	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	93.2	170.8	-77.4	-17.9	0	0	0	110.6	N448	N374-N448 PolarHBondContact N-O 3.25Å; N374-N448 WeakPolarHBondContact O-CB 3.48Å; N374-N448 PolarHBondContact O-ND2 2.84Å
375	N	90.4	Very high	94	Very high	138 Å²	138	47.8 Å²	47.8	74%	0.738	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.9	174.5	179.6	-57.7	-39	0	0	0	114.5	N448	N375-N448 PolarHBondContact O-N 3.35Å; N375-N448 VanDerWaalsContact O-N 3.15Å
376	F	93.8	Very high	93.7	Very high	49 Å²	49	48.3 Å²	48.3	22%	0.215	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	151.9	174	-57.2	-68.9	0	0	0	112.1	V378 L381 H447 N448 P488 L489	F376-V378 PolarHBondContact O-N 3.45Å; F376-L381 HydrophobicContact CB-CD1 3.7Å; F376-L381 HydrophobicContact CB-CD2 4.28Å; F376-L381 HydrophobicContact CB-CG 3.79Å; F376-L381 HydrophobicContact CD2-CD1 4.32Å; F376-L381 HydrophobicContact CD2-CD2 4.25Å; F376-L381 HydrophobicContact CG-CD1 4.41Å; F376-L381 HydrophobicContact CG-CD2 4.36Å; F376-L381 HydrophobicContact CG-CG 4.4Å; F376-H447 AromaticContact CD1-CD2 3.45Å; F376-H447 VanDerWaalsContact CD1-CD2 3.45Å; F376-H447 WeakPolarHBondContact CD1-CD2 3.35Å; F376-H447 AromaticContact CD1-CE1 3.96Å; F376-H447 AromaticContact CD1-NE2 3.08Å; F376-H447 WeakPolarHBondContact CD1-NE2 3.4Å; F376-H447 AromaticContact CE1-CD2 3.84Å; F376-H447 AromaticContact CE1-CE1 3.88Å; F376-H447 AromaticContact CE1-NE2 3.02Å; F376-H447 WeakPolarHBondContact CE1-NE2 3.27Å; F376-N448 PolarHBondContact O-ND2 2.7Å; F376-N448 VanDerWaalsContact O-ND2 3.15Å; F376-P488 HydrophobicContact CD2-CG 4.1Å; F376-P488 HydrophobicContact CE2-CG 3.44Å; F376-P488 VanDerWaalsContact CE2-CG 3.44Å; F376-P488 HydrophobicContact CZ-CG 3.74Å; F376-L489 HydrophobicContact CB-CD1 4.34Å; F376-L489 HydrophobicContact CD1-CD1 3.29Å; F376-L489 HydrophobicContact CD1-CG 3.84Å; F376-L489 HydrophobicContact CE1-CD1 3.82Å; F376-L489 HydrophobicContact CE1-CG 4.1Å; F376-L489 HydrophobicContact CG-CD1 4.02Å; F376-L489 HydrophobicContact CG-CG 4.32Å
377	N	92.3	Very high	93.3	Very high	30 Å²	30	51.2 Å²	51.2	16%	0.16	27%	0.271	C	S	.	.			trans	-67	129.6	168.9	-175.5	-20.8	0	0	0	109.5	E379 T380 L381 T446	N377-E379 PolarHBondContact O-N 3.35Å; N377-E379 PolarHBondContact OD1-N 3.1Å; N377-T380 PolarHBondContact O-N 2.91Å; N377-T380 VanDerWaalsContact O-N 3.12Å; N377-L381 PolarHBondContact O-N 2.86Å; N377-L381 VanDerWaalsContact O-N 3.17Å; N377-T446 WeakPolarHBondContact CB-O 3.3Å; N377-T446 PolarHBondContact N-O 3.43Å
378	V	92.3	Very high	93	Very high	103 Å²	103	57 Å²	57	62%	0.624	30%	0.297	S	S	*	.	H	α-helix	trans	-57.3	-39.2	-178.9	179.8	0	0	0	0	111.4	F376 T380 L381 K382	F376-V378 PolarHBondContact O-N 3.45Å; V378-T380 VanDerWaalsContact C-N 3.32Å; V378-T380 PolarHBondContact O-N 3.49Å; V378-L381 PolarHBondContact O-N 3.2Å; V378-K382 VanDerWaalsContact O-CB 3.24Å; V378-K382 WeakPolarHBondContact O-CB 3.46Å; V378-K382 PolarHBondContact O-N 3.37Å
379	E	91.1	Very high	92.7	Very high	51 Å²	51	61.6 Å²	61.6	24%	0.238	32%	0.318	C	S	.	.	H	α-helix	trans	-65.8	-36.1	-179.8	-75.6	-60.7	132.1	0	0	112.4	Y314 N377 G383 R438	Y314-E379 PolarHBondContact OH-OE2 2.89Å; N377-E379 PolarHBondContact O-N 3.35Å; N377-E379 PolarHBondContact OD1-N 3.1Å; E379-G383 PolarHBondContact O-N 3.39Å; E379-R438 IonicContact OE2-CZ 2.93Å; E379-R438 IonicContact OE2-NE 2.62Å; E379-R438 PolarHBondContact OE2-NE 3.33Å; E379-R438 IonicContact OE2-NH2 2.77Å
380	T	91.6	Very high	92.4	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.006	33%	0.333	C	S	.	.	H	α-helix	trans	-69.1	-45.3	178	-52.3	0	0	0	0	110.9	N377 V378 G383 Q384 T446 L489	N377-T380 PolarHBondContact O-N 2.91Å; N377-T380 VanDerWaalsContact O-N 3.12Å; V378-T380 VanDerWaalsContact C-N 3.32Å; V378-T380 PolarHBondContact O-N 3.49Å; T380-G383 PolarHBondContact O-N 3.45Å; T380-Q384 PolarHBondContact O-N 3.19Å; T380-T446 HydrophobicContact CG2-CG2 4.21Å; T380-L489 HydrophobicContact CG2-CD1 3.75Å; T380-L489 HydrophobicContact CG2-CD2 3.74Å; T380-L489 HydrophobicContact CG2-CG 4.36Å
381	L	92.7	Very high	92.3	Very high	68 Å²	68	69.1 Å²	69.1	36%	0.356	35%	0.346	S	S	.	.	H	α-helix	trans	-63	-45	175.7	-76	173.1	0	0	0	112	F376 N377 V378 G383 Q384 A385 P488 L489	F376-L381 HydrophobicContact CB-CD1 3.7Å; F376-L381 HydrophobicContact CB-CD2 4.28Å; F376-L381 HydrophobicContact CB-CG 3.79Å; F376-L381 HydrophobicContact CD2-CD1 4.32Å; F376-L381 HydrophobicContact CD2-CD2 4.25Å; F376-L381 HydrophobicContact CG-CD1 4.41Å; F376-L381 HydrophobicContact CG-CD2 4.36Å; F376-L381 HydrophobicContact CG-CG 4.4Å; N377-L381 PolarHBondContact O-N 2.86Å; N377-L381 VanDerWaalsContact O-N 3.17Å; V378-L381 PolarHBondContact O-N 3.2Å; L381-G383 VanDerWaalsContact C-N 3.29Å; L381-G383 PolarHBondContact O-N 3.15Å; L381-Q384 PolarHBondContact O-N 3.1Å; L381-A385 PolarHBondContact O-N 2.99Å; L381-P488 HydrophobicContact CD2-CG 4.43Å; L381-L489 HydrophobicContact CD2-CD2 3.61Å; L381-L489 HydrophobicContact CD2-CG 4.32Å; L381-L489 HydrophobicContact CG-CD2 4.14Å
382	K	91.8	Very high	92.2	Very high	102 Å²	102	71.6 Å²	71.6	44%	0.443	36%	0.355	S	S	.	.	H	α-helix	trans	-58.5	-43.1	176.6	-176.2	-177.5	176.1	-171.1	0	111.2	V378 Q384 A385 V386	V378-K382 VanDerWaalsContact O-CB 3.24Å; V378-K382 WeakPolarHBondContact O-CB 3.46Å; V378-K382 PolarHBondContact O-N 3.37Å; K382-Q384 VanDerWaalsContact C-N 3.35Å; K382-Q384 PolarHBondContact O-N 3.09Å; K382-A385 PolarHBondContact O-N 3.29Å; K382-V386 HydrophobicContact CG-CG2 4.4Å; K382-V386 WeakPolarHBondContact O-CG2 3.37Å; K382-V386 PolarHBondContact O-N 3.38Å
383	G	92	Very high	92.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.1	-44.1	176.2	0	0	0	0	0	113.1	G311 Y314 E379 T380 L381 V386 R387	G311-G383 CarbonylContact O-C 3.47Å; G311-G383 VanDerWaalsContact O-CA 3.25Å; G311-G383 WeakPolarHBondContact O-CA 3.43Å; Y314-G383 VanDerWaalsContact CD1-CA 3.4Å; E379-G383 PolarHBondContact O-N 3.39Å; T380-G383 PolarHBondContact O-N 3.45Å; L381-G383 VanDerWaalsContact C-N 3.29Å; L381-G383 PolarHBondContact O-N 3.15Å; G383-V386 PolarHBondContact O-N 3.04Å; G383-R387 WeakPolarHBondContact O-CB 3.25Å; G383-R387 PolarHBondContact O-N 3.18Å
384	Q	93.1	Very high	91.9	Very high	18 Å²	18	65.1 Å²	65.1	8%	0.084	34%	0.335	C	S	.	.	H	α-helix	trans	-66.3	-37.8	176.3	-63.8	-51.7	-32.1	0	0	113	F308 T380 L381 K382 K388 L489	F308-Q384 PolarHBondContact O-NE2 3.44Å; T380-Q384 PolarHBondContact O-N 3.19Å; L381-Q384 PolarHBondContact O-N 3.1Å; K382-Q384 VanDerWaalsContact C-N 3.35Å; K382-Q384 PolarHBondContact O-N 3.09Å; Q384-K388 PolarHBondContact O-N 3.22Å; Q384-L489 HydrophobicContact CG-CD2 4.01Å
385	A	92.4	Very high	92	Very high	61 Å²	61	62.5 Å²	62.5	50%	0.504	32%	0.32	S	S	.	.	H	α-helix	trans	-65.8	-45.2	175.8	0	0	0	0	0	112.2	L381 K382 R387 K388 Q389	L381-A385 PolarHBondContact O-N 2.99Å; K382-A385 PolarHBondContact O-N 3.29Å; A385-R387 PolarHBondContact O-N 3.12Å; A385-K388 PolarHBondContact O-N 3.49Å; A385-Q389 PolarHBondContact O-N 3.37Å
386	V	91.6	Very high	92.1	Very high	10 Å²	10	58.7 Å²	58.7	6%	0.061	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-44.4	177	170.7	0	0	0	0	110.9	Y314 K382 G383 K388 Q389 L390 T436	Y314-V386 HydrophobicContact CD2-CG1 4.43Å; K382-V386 HydrophobicContact CG-CG2 4.4Å; K382-V386 WeakPolarHBondContact O-CG2 3.37Å; K382-V386 PolarHBondContact O-N 3.38Å; G383-V386 PolarHBondContact O-N 3.04Å; V386-K388 PolarHBondContact O-N 3.49Å; V386-Q389 PolarHBondContact O-N 2.83Å; V386-L390 HydrophobicContact CG1-CD1 4.4Å; V386-L390 WeakPolarHBondContact O-CG 3.37Å; V386-L390 PolarHBondContact O-N 3.43Å; V386-T436 HydrophobicContact CG1-CG2 4.1Å
387	R	91.3	Very high	91.9	Very high	62 Å²	62	57.1 Å²	57.1	23%	0.234	30%	0.298	C	S	.	.	H	α-helix	trans	-56.6	-48.8	174.2	-179.8	-157	64.3	83	8.5	111.5	E307 R310 G383 A385 Q389 L390 W391	E307-R387 WeakPolarHBondContact O-CD 2.9Å; E307-R387 IonicContact OE2-CZ 3.99Å; E307-R387 IonicContact OE2-NH1 2.77Å; E307-R387 PolarHBondContact OE2-NH1 2.82Å; R310-R387 HydrophobicContact CB-CG 4.42Å; G383-R387 WeakPolarHBondContact O-CB 3.25Å; G383-R387 PolarHBondContact O-N 3.18Å; A385-R387 PolarHBondContact O-N 3.12Å; R387-Q389 PolarHBondContact O-N 3.41Å; R387-L390 WeakPolarHBondContact O-CB 3.43Å; R387-L390 PolarHBondContact O-N 3.06Å; R387-W391 PolarHBondContact O-N 3.15Å
388	K	91.7	Very high	91.8	Very high	123 Å²	123	61.5 Å²	61.5	54%	0.535	32%	0.316	S	S	.	.	H	α-helix	trans	-61.1	-45	179.3	-173.7	178.1	178.3	-179.1	0	111.3	Q384 A385 V386 L390 W391 D392	Q384-K388 PolarHBondContact O-N 3.22Å; A385-K388 PolarHBondContact O-N 3.49Å; V386-K388 PolarHBondContact O-N 3.49Å; K388-L390 PolarHBondContact O-N 3.02Å; K388-W391 WeakPolarHBondContact O-CB 3.14Å; K388-W391 PolarHBondContact O-N 3.05Å; K388-D392 VanDerWaalsContact O-CG 3.23Å; K388-D392 PolarHBondContact O-N 3.33Å
389	Q	91.2	Very high	91.8	Very high	102 Å²	102	62 Å²	62	48%	0.477	31%	0.312	S	S	.	.	H	α-helix	trans	-60.2	-42.6	177.5	-174.4	-176.7	11.1	0	0	112.7	A385 V386 R387 T393	A385-Q389 PolarHBondContact O-N 3.37Å; V386-Q389 PolarHBondContact O-N 2.83Å; R387-Q389 PolarHBondContact O-N 3.41Å; Q389-T393 WeakPolarHBondContact O-CB 3.34Å; Q389-T393 PolarHBondContact O-N 3.13Å; Q389-T393 PolarHBondContact O-OG1 3.45Å
390	L	91.1	Very high	91.7	Very high	60 Å²	60	63.5 Å²	63.5	31%	0.314	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-46.2	174.4	-78.3	169	0	0	0	111.6	V386 R387 K388 T393 A394 A432 T436	V386-L390 HydrophobicContact CG1-CD1 4.4Å; V386-L390 WeakPolarHBondContact O-CG 3.37Å; V386-L390 PolarHBondContact O-N 3.43Å; R387-L390 WeakPolarHBondContact O-CB 3.43Å; R387-L390 PolarHBondContact O-N 3.06Å; K388-L390 PolarHBondContact O-N 3.02Å; L390-T393 WeakPolarHBondContact O-CB 3.34Å; L390-T393 PolarHBondContact O-N 2.78Å; L390-A394 WeakPolarHBondContact O-CB 3.41Å; L390-A394 PolarHBondContact O-N 3.09Å; L390-A432 HydrophobicContact CD2-CB 3.81Å; L390-A432 WeakPolarHBondContact CD2-O 3.5Å; L390-T436 HydrophobicContact CD1-CG2 3.56Å; L390-T436 HydrophobicContact CD2-CG2 3.91Å; L390-T436 HydrophobicContact CG-CG2 4.07Å
391	W	91.5	Very high	91.6	Very high	133 Å²	133	66.2 Å²	66.2	50%	0.504	33%	0.329	S	S	.	.	H	α-helix	trans	-60.6	-49.8	179	179.5	-95.1	0	0	0	111.4	R387 K388 T393 A394 Q395	R387-W391 PolarHBondContact O-N 3.15Å; K388-W391 WeakPolarHBondContact O-CB 3.14Å; K388-W391 PolarHBondContact O-N 3.05Å; W391-T393 VanDerWaalsContact C-N 3.28Å; W391-T393 PolarHBondContact O-N 3.05Å; W391-A394 PolarHBondContact O-N 3.45Å; W391-A394 VanDerWaalsContact O-N 3.11Å; W391-Q395 HydrophobicContact CD2-CG 4.43Å; W391-Q395 HydrophobicContact CG-CG 4.46Å; W391-Q395 HydrophobicContact CZ2-CG 4.41Å; W391-Q395 WeakPolarHBondContact O-CG 3.29Å; W391-Q395 PolarHBondContact O-N 2.85Å
392	D	93.1	Very high	91.4	Very high	83 Å²	83	64.6 Å²	64.6	44%	0.444	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-39	-179.9	-65.2	-17.1	0	0	0	111.2	K388 Q395 S396	K388-D392 VanDerWaalsContact O-CG 3.23Å; K388-D392 PolarHBondContact O-N 3.33Å; D392-Q395 PolarHBondContact O-N 2.97Å; D392-S396 WeakPolarHBondContact O-CB 3.22Å; D392-S396 PolarHBondContact O-N 3.28Å
393	T	91.9	Very high	91.4	Very high	22 Å²	22	66.5 Å²	66.5	14%	0.135	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-48.3	173.2	-60.3	0	0	0	0	111.3	Q389 L390 W391 Q395 S396 V397 I428 M429 A432	Q389-T393 WeakPolarHBondContact O-CB 3.34Å; Q389-T393 PolarHBondContact O-N 3.13Å; Q389-T393 PolarHBondContact O-OG1 3.45Å; L390-T393 WeakPolarHBondContact O-CB 3.34Å; L390-T393 PolarHBondContact O-N 2.78Å; W391-T393 VanDerWaalsContact C-N 3.28Å; W391-T393 PolarHBondContact O-N 3.05Å; T393-Q395 PolarHBondContact O-N 3.18Å; T393-S396 PolarHBondContact O-N 3.37Å; T393-V397 WeakPolarHBondContact O-CG2 3.42Å; T393-V397 PolarHBondContact O-N 3.47Å; T393-I428 HydrophobicContact CG2-CG2 3.63Å; T393-M429 HydrophobicContact CG2-CG 4.47Å; T393-A432 HydrophobicContact CG2-CB 4.22Å
394	A	91.6	Very high	91.1	Very high	53 Å²	53	69.6 Å²	69.6	44%	0.438	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-40.4	179.1	0	0	0	0	0	112.2	L390 W391 V397 K398	L390-A394 WeakPolarHBondContact O-CB 3.41Å; L390-A394 PolarHBondContact O-N 3.09Å; W391-A394 PolarHBondContact O-N 3.45Å; W391-A394 VanDerWaalsContact O-N 3.11Å; A394-V397 PolarHBondContact O-N 2.85Å; A394-K398 VanDerWaalsContact O-CB 3.28Å; A394-K398 WeakPolarHBondContact O-CB 3.45Å; A394-K398 PolarHBondContact O-N 2.93Å
395	Q	93.7	Very high	91	Very high	44 Å²	44	71.5 Å²	71.5	21%	0.206	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-44	175.8	-68.8	-56.6	-37.2	0	0	111.7	W391 D392 T393 V397 K398 E399	W391-Q395 HydrophobicContact CD2-CG 4.43Å; W391-Q395 HydrophobicContact CG-CG 4.46Å; W391-Q395 HydrophobicContact CZ2-CG 4.41Å; W391-Q395 WeakPolarHBondContact O-CG 3.29Å; W391-Q395 PolarHBondContact O-N 2.85Å; D392-Q395 PolarHBondContact O-N 2.97Å; T393-Q395 PolarHBondContact O-N 3.18Å; Q395-V397 PolarHBondContact O-N 3.18Å; Q395-K398 WeakPolarHBondContact O-CB 3.45Å; Q395-K398 PolarHBondContact O-N 3.04Å; Q395-E399 WeakPolarHBondContact O-CG 3.32Å; Q395-E399 PolarHBondContact O-N 3.28Å
396	S	91.5	Very high	90.9	Very high	57 Å²	57	75.3 Å²	75.3	40%	0.399	36%	0.363	S	S	.	.	H	α-helix	trans	-60.7	-45	177.1	-172.3	0	0	0	0	112	D392 T393 E399 K400	D392-S396 WeakPolarHBondContact O-CB 3.22Å; D392-S396 PolarHBondContact O-N 3.28Å; T393-S396 PolarHBondContact O-N 3.37Å; S396-E399 PolarHBondContact O-N 3.25Å; S396-K400 WeakPolarHBondContact O-CG 3.49Å; S396-K400 PolarHBondContact O-N 3.44Å; S396-K400 VanDerWaalsContact O-N 3.12Å
397	V	90.2	Very high	90.7	Very high	16 Å²	16	79 Å²	79	10%	0.097	38%	0.382	C	S	.	.	H	α-helix	trans	-65	-42	176.5	175.4	0	0	0	0	110.9	T393 A394 Q395 E399 K400 F401 L421 D425 M429	T393-V397 WeakPolarHBondContact O-CG2 3.42Å; T393-V397 PolarHBondContact O-N 3.47Å; A394-V397 PolarHBondContact O-N 2.85Å; Q395-V397 PolarHBondContact O-N 3.18Å; V397-E399 PolarHBondContact O-N 3.09Å; V397-K400 PolarHBondContact O-N 3.09Å; V397-F401 WeakPolarHBondContact O-CB 3.41Å; V397-F401 PolarHBondContact O-N 3.37Å; V397-L421 HydrophobicContact CG1-CD2 3.64Å; V397-D425 HydrophobicContact CG2-CB 4.25Å; V397-M429 HydrophobicContact CG1-CE 4.49Å; V397-M429 HydrophobicContact CG1-SD 4.31Å; V397-M429 HydrophobicContact CG2-CG 4.22Å; V397-M429 HydrophobicContact CG2-SD 4.42Å
398	K	90.9	Very high	90.6	Very high	122 Å²	122	76.7 Å²	76.7	53%	0.53	38%	0.377	S	S	.	.	H	α-helix	trans	-58.3	-44.4	176.1	-173.8	-163.6	75.8	177.5	0	111.9	A394 Q395 F401 G402	A394-K398 VanDerWaalsContact O-CB 3.28Å; A394-K398 WeakPolarHBondContact O-CB 3.45Å; A394-K398 PolarHBondContact O-N 2.93Å; Q395-K398 WeakPolarHBondContact O-CB 3.45Å; Q395-K398 PolarHBondContact O-N 3.04Å; K398-F401 PolarHBondContact O-N 2.87Å; K398-G402 PolarHBondContact O-N 3.04Å
399	E	91.8	Very high	90.5	Very high	115 Å²	115	76 Å²	76	54%	0.537	38%	0.378	S	S	.	.	H	α-helix	trans	-65.4	-44.4	178.7	-74.6	179.3	-173.5	0	0	112.3	Q395 S396 V397 G402 K403	Q395-E399 WeakPolarHBondContact O-CG 3.32Å; Q395-E399 PolarHBondContact O-N 3.28Å; S396-E399 PolarHBondContact O-N 3.25Å; V397-E399 PolarHBondContact O-N 3.09Å; E399-G402 PolarHBondContact O-N 3.19Å; E399-K403 WeakPolarHBondContact O-CG 3.42Å; E399-K403 PolarHBondContact O-N 3.15Å; E399-K403 VanDerWaalsContact O-N 3.07Å
400	K	88.8	Confident	90.5	Very high	81 Å²	81	76.5 Å²	76.5	35%	0.352	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-46.2	175	-70.1	-177.7	-170.8	-179.8	0	111.5	S396 V397 K403 K404 D425	S396-K400 WeakPolarHBondContact O-CG 3.49Å; S396-K400 PolarHBondContact O-N 3.44Å; S396-K400 VanDerWaalsContact O-N 3.12Å; V397-K400 PolarHBondContact O-N 3.09Å; K400-K403 PolarHBondContact O-N 3Å; K400-K404 PolarHBondContact O-N 3.12Å; K400-K404 VanDerWaalsContact O-N 3.1Å; K400-D425 WeakPolarHBondContact CD-OD1 3.29Å; K400-D425 IonicContact NZ-OD1 2.72Å; K400-D425 PolarHBondContact NZ-OD1 2.87Å
401	F	89.1	Confident	90.5	Very high	59 Å²	59	81 Å²	81	26%	0.259	40%	0.401	S	S	.	.	H	α-helix	trans	-58.5	-48.3	176.7	-179.3	-86.6	0	0	0	110.9	V397 K398 K403 K404 L405 L417 I420 L421	V397-F401 WeakPolarHBondContact O-CB 3.41Å; V397-F401 PolarHBondContact O-N 3.37Å; K398-F401 PolarHBondContact O-N 2.87Å; F401-K403 PolarHBondContact O-N 2.81Å; F401-K404 PolarHBondContact O-N 3.38Å; F401-L405 HydrophobicContact CE1-CB 4.38Å; F401-L405 HydrophobicContact CE1-CD2 3.91Å; F401-L405 VanDerWaalsContact O-CB 3.32Å; F401-L405 WeakPolarHBondContact O-CB 3.39Å; F401-L405 PolarHBondContact O-N 3.42Å; F401-L417 HydrophobicContact CE2-CD2 4.03Å; F401-L417 HydrophobicContact CZ-CD2 3.91Å; F401-I420 HydrophobicContact CB-CG2 4.47Å; F401-I420 HydrophobicContact CD2-CB 4.09Å; F401-I420 HydrophobicContact CD2-CG2 3.24Å; F401-I420 HydrophobicContact CE2-CB 3.97Å; F401-I420 HydrophobicContact CE2-CD1 3.77Å; F401-I420 HydrophobicContact CE2-CG2 3.52Å; F401-I420 HydrophobicContact CG-CG2 3.99Å; F401-I420 HydrophobicContact CZ-CD1 4.06Å; F401-I420 HydrophobicContact CZ-CG2 4.45Å; F401-L421 HydrophobicContact CD2-CD2 4.29Å
402	G	90.3	Very high	90.3	Very high	33 Å²	33	78.2 Å²	78.2	34%	0.34	41%	0.412	S	S	.	.	H	α-helix	trans	-58.8	-42.4	178.8	0	0	0	0	0	113.1	K398 E399 L405 Y406	K398-G402 PolarHBondContact O-N 3.04Å; E399-G402 PolarHBondContact O-N 3.19Å; G402-L405 PolarHBondContact O-N 2.83Å; G402-Y406 WeakPolarHBondContact O-CB 3.42Å; G402-Y406 PolarHBondContact O-N 2.8Å
403	K	89.9	Confident	90	Very high	143 Å²	143	80.1 Å²	80.1	62%	0.622	42%	0.419	S	S	*	.	H	α-helix	trans	-63.3	-44.8	175.6	-72.5	176	-176.5	175.9	0	112.4	E399 K400 F401 Y406 N407	E399-K403 WeakPolarHBondContact O-CG 3.42Å; E399-K403 PolarHBondContact O-N 3.15Å; E399-K403 VanDerWaalsContact O-N 3.07Å; K400-K403 PolarHBondContact O-N 3Å; F401-K403 PolarHBondContact O-N 2.81Å; K403-Y406 PolarHBondContact O-N 3.02Å; K403-N407 VanDerWaalsContact O-CG 3.27Å; K403-N407 PolarHBondContact O-N 3.45Å; K403-N407 PolarHBondContact O-ND2 2.86Å
404	K	87.4	Confident	89.6	Confident	65 Å²	65	87 Å²	87	28%	0.283	45%	0.453	S	S	.	.	H	α-helix	trans	-66.7	-42	178.5	-73.3	-177.8	-177.9	179.8	0	112	K400 F401 N407 A408 I420 D422	K400-K404 PolarHBondContact O-N 3.12Å; K400-K404 VanDerWaalsContact O-N 3.1Å; F401-K404 PolarHBondContact O-N 3.38Å; K404-N407 PolarHBondContact O-N 3.2Å; K404-A408 PolarHBondContact O-N 3.18Å; K404-I420 HydrophobicContact CB-CG2 3.86Å; K404-I420 HydrophobicContact CD-CG2 4.04Å; K404-I420 WeakPolarHBondContact CD-O 3.26Å; K404-I420 PolarHBondContact NZ-O 3.01Å; K404-D422 IonicContact NZ-OD1 3.9Å; K404-D422 PolarHBondContact NZ-OD1 2.82Å; K404-D422 IonicContact NZ-OD2 2.68Å; K404-D422 PolarHBondContact NZ-OD2 3.48Å
405	L	89.7	Confident	89.1	Confident	57 Å²	57	85.9 Å²	85.9	30%	0.298	44%	0.441	S	S	.	.	H	α-helix	trans	-58.9	-49.5	174.6	175.2	58.9	0	0	0	110.9	F401 G402 N407 A408 L409 P415	F401-L405 HydrophobicContact CE1-CB 4.38Å; F401-L405 HydrophobicContact CE1-CD2 3.91Å; F401-L405 VanDerWaalsContact O-CB 3.32Å; F401-L405 WeakPolarHBondContact O-CB 3.39Å; F401-L405 PolarHBondContact O-N 3.42Å; G402-L405 PolarHBondContact O-N 2.83Å; L405-N407 VanDerWaalsContact C-N 3.34Å; L405-N407 PolarHBondContact O-N 2.89Å; L405-A408 PolarHBondContact O-N 3.45Å; L405-L409 HydrophobicContact CD1-CD1 4.03Å; L405-L409 HydrophobicContact CD1-CG 4.12Å; L405-L409 HydrophobicContact CG-CD1 4.09Å; L405-L409 WeakPolarHBondContact O-CG 3.21Å; L405-L409 PolarHBondContact O-N 2.73Å; L405-P415 HydrophobicContact CD1-CG 3.46Å; L405-P415 VanDerWaalsContact CD1-CG 3.46Å
406	Y	90.2	Very high	88.5	Confident	142 Å²	142	87.1 Å²	87.1	56%	0.557	45%	0.449	S	S	*	.	H	α-helix	trans	-57.8	-45.1	177.3	179.1	-109.1	0	0	0	112.3	G402 K403 A408 L409 L410	G402-Y406 WeakPolarHBondContact O-CB 3.42Å; G402-Y406 PolarHBondContact O-N 2.8Å; K403-Y406 PolarHBondContact O-N 3.02Å; Y406-A408 VanDerWaalsContact C-N 3.34Å; Y406-A408 PolarHBondContact O-N 2.97Å; Y406-L409 PolarHBondContact O-N 3.14Å; Y406-L410 HydrophobicContact CD1-CD1 3.91Å; Y406-L410 HydrophobicContact CD1-CG 4.45Å; Y406-L410 HydrophobicContact CE1-CD1 3.39Å; Y406-L410 HydrophobicContact CE1-CG 4.09Å; Y406-L410 HydrophobicContact CE2-CD1 4.43Å; Y406-L410 HydrophobicContact CE2-CD2 4.43Å; Y406-L410 HydrophobicContact CE2-CG 4.28Å; Y406-L410 WeakPolarHBondContact O-CG 3.39Å; Y406-L410 PolarHBondContact O-N 2.71Å
407	N	89.1	Confident	87.6	Confident	87 Å²	87	90 Å²	90	47%	0.465	46%	0.46	S	S	.	.	H	α-helix	trans	-64.7	-35	178.5	-72.5	-19.5	0	0	0	113.5	K403 K404 L405 K411	K403-N407 VanDerWaalsContact O-CG 3.27Å; K403-N407 PolarHBondContact O-N 3.45Å; K403-N407 PolarHBondContact O-ND2 2.86Å; K404-N407 PolarHBondContact O-N 3.2Å; L405-N407 VanDerWaalsContact C-N 3.34Å; L405-N407 PolarHBondContact O-N 2.89Å; N407-K411 WeakPolarHBondContact O-CG 3.35Å; N407-K411 PolarHBondContact O-N 2.85Å
408	A	87.4	Confident	86.9	Confident	14 Å²	14	96 Å²	96	12%	0.116	49%	0.491	C	S	.	.	H	α-helix	trans	-71.1	-43.3	175.8	0	0	0	0	0	111.6	K404 L405 Y406 L410 K411 G412 E413 P415	K404-A408 PolarHBondContact O-N 3.18Å; L405-A408 PolarHBondContact O-N 3.45Å; Y406-A408 VanDerWaalsContact C-N 3.34Å; Y406-A408 PolarHBondContact O-N 2.97Å; A408-L410 VanDerWaalsContact C-N 3.32Å; A408-L410 PolarHBondContact O-N 3.25Å; A408-K411 WeakPolarHBondContact O-CB 3.27Å; A408-K411 PolarHBondContact O-N 2.94Å; A408-G412 PolarHBondContact O-N 3.25Å; A408-E413 CarbonylContact C-O 3.55Å; A408-E413 PolarHBondContact O-N 3.08Å; A408-E413 VanDerWaalsContact O-N 3.14Å; A408-P415 HydrophobicContact CB-CB 3.58Å; A408-P415 HydrophobicContact CB-CG 3.88Å
409	L	90	Very high	86.2	Confident	107 Å²	107	98 Å²	98	56%	0.56	50%	0.5	S	S	*	.	H	α-helix	trans	-61.1	-39.4	175.8	-67.9	174.5	0	0	0	112	L405 Y406 K411 G412	L405-L409 HydrophobicContact CD1-CD1 4.03Å; L405-L409 HydrophobicContact CD1-CG 4.12Å; L405-L409 HydrophobicContact CG-CD1 4.09Å; L405-L409 WeakPolarHBondContact O-CG 3.21Å; L405-L409 PolarHBondContact O-N 2.73Å; Y406-L409 PolarHBondContact O-N 3.14Å; L409-K411 PolarHBondContact O-N 2.88Å; L409-G412 PolarHBondContact O-N 3.46Å
410	L	91.9	Very high	85.5	Confident	113 Å²	113	93 Å²	93	59%	0.592	48%	0.477	S	S	*	.	H	α-helix	trans	-60.7	-28.2	174	-79.2	179.2	0	0	0	113.5	Y406 A408 G412	Y406-L410 HydrophobicContact CD1-CD1 3.91Å; Y406-L410 HydrophobicContact CD1-CG 4.45Å; Y406-L410 HydrophobicContact CE1-CD1 3.39Å; Y406-L410 HydrophobicContact CE1-CG 4.09Å; Y406-L410 HydrophobicContact CE2-CD1 4.43Å; Y406-L410 HydrophobicContact CE2-CD2 4.43Å; Y406-L410 HydrophobicContact CE2-CG 4.28Å; Y406-L410 WeakPolarHBondContact O-CG 3.39Å; Y406-L410 PolarHBondContact O-N 2.71Å; A408-L410 VanDerWaalsContact C-N 3.32Å; A408-L410 PolarHBondContact O-N 3.25Å; L410-G412 VanDerWaalsContact C-N 3.33Å
411	K	89.8	Confident	85.2	Confident	156 Å²	156	91.8 Å²	91.8	68%	0.678	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.5	177.5	-67.4	175.7	-178.3	-174.9	0	113.1	N407 A408 L409 E413	N407-K411 WeakPolarHBondContact O-CG 3.35Å; N407-K411 PolarHBondContact O-N 2.85Å; A408-K411 WeakPolarHBondContact O-CB 3.27Å; A408-K411 PolarHBondContact O-N 2.94Å; L409-K411 PolarHBondContact O-N 2.88Å; K411-E413 VanDerWaalsContact C-N 3.26Å; K411-E413 HydrophobicContact CB-CG 4.34Å; K411-E413 PolarHBondContact O-N 3.28Å
412	G	88.6	Confident	85	Confident	73 Å²	73	92.4 Å²	92.4	75%	0.753	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	16.4	-174.6	0	0	0	0	0	113.8	A408 L409 L410	A408-G412 PolarHBondContact O-N 3.25Å; L409-G412 PolarHBondContact O-N 3.46Å; L410-G412 VanDerWaalsContact C-N 3.33Å
413	E	86.8	Confident	84.8	Confident	123 Å²	123	101.2 Å²	101.2	58%	0.575	50%	0.503	S	S	*	.			trans	-99.7	135.5	178.9	-65.8	177.8	176.9	0	0	110.2	A408 K411 P415	A408-E413 CarbonylContact C-O 3.55Å; A408-E413 PolarHBondContact O-N 3.08Å; A408-E413 VanDerWaalsContact O-N 3.14Å; K411-E413 VanDerWaalsContact C-N 3.26Å; K411-E413 HydrophobicContact CB-CG 4.34Å; K411-E413 PolarHBondContact O-N 3.28Å; E413-P415 VanDerWaalsContact O-CD 3.31Å; E413-P415 WeakPolarHBondContact O-CD 3.07Å
414	I	83.4	Confident	84.7	Confident	166 Å²	166	100 Å²	100	85%	0.851	50%	0.503	S	S	*	.			trans	-77.4	115.6	168.3	-59	174.4	0	0	0	107.2
415	P	79.9	Confident	84.6	Confident	31 Å²	31	97 Å²	97	20%	0.201	49%	0.49	C	S	.	.			trans	-75.9	137.1	-173.2	28.8	-32.2	0	0	0	112.2	L405 A408 E413 L417 I420	L405-P415 HydrophobicContact CD1-CG 3.46Å; L405-P415 VanDerWaalsContact CD1-CG 3.46Å; A408-P415 HydrophobicContact CB-CB 3.58Å; A408-P415 HydrophobicContact CB-CG 3.88Å; E413-P415 VanDerWaalsContact O-CD 3.31Å; E413-P415 WeakPolarHBondContact O-CD 3.07Å; P415-L417 PolarHBondContact O-N 2.87Å; P415-I420 HydrophobicContact CB-CD1 3.58Å; P415-I420 HydrophobicContact CB-CG1 3.97Å; P415-I420 HydrophobicContact CG-CD1 3.93Å
416	D	81.9	Confident	84.5	Confident	70 Å²	70	97.5 Å²	97.5	37%	0.374	49%	0.492	S	S	.	.			trans	-76.2	114.8	175.2	177.1	0.8	0	0	0	110.5	N418 K419 I420	D416-N418 PolarHBondContact O-N 3.47Å; D416-N418 PolarHBondContact OD1-N 2.62Å; D416-N418 VanDerWaalsContact OD1-N 3.07Å; D416-K419 HydrophobicContact CB-CB 4.31Å; D416-K419 HydrophobicContact CB-CD 4.12Å; D416-K419 HydrophobicContact CB-CG 4.21Å; D416-K419 PolarHBondContact O-N 3.21Å; D416-K419 WeakPolarHBondContact OD2-CE 3.37Å; D416-K419 IonicContact OD2-NZ 2.75Å; D416-I420 WeakPolarHBondContact O-CG1 3.43Å; D416-I420 PolarHBondContact O-N 2.93Å
417	L	73.2	Confident	84.5	Confident	117 Å²	117	94.2 Å²	94.2	61%	0.613	49%	0.487	S	S	*	.	H	α-helix	trans	-52.7	-31.7	-178.1	-69.8	167.5	0	0	0	113.4	F401 P415 K419 I420	F401-L417 HydrophobicContact CE2-CD2 4.03Å; F401-L417 HydrophobicContact CZ-CD2 3.91Å; P415-L417 PolarHBondContact O-N 2.87Å; L417-K419 VanDerWaalsContact C-N 3.3Å; L417-K419 PolarHBondContact O-N 2.98Å; L417-I420 HydrophobicContact CD2-CD1 4.32Å
418	N	75.3	Confident	84.5	Confident	143 Å²	143	93.9 Å²	93.9	77%	0.765	49%	0.485	S	S	*	.	H	α-helix	trans	-75.6	-18.2	179.4	-65.7	-43.2	0	0	0	113.3	D416	D416-N418 PolarHBondContact O-N 3.47Å; D416-N418 PolarHBondContact OD1-N 2.62Å; D416-N418 VanDerWaalsContact OD1-N 3.07Å
419	K	75.8	Confident	84.6	Confident	163 Å²	163	96 Å²	96	71%	0.709	49%	0.493	S	S	*	.	H	α-helix	trans	-99.9	-16.4	178.4	-65.2	-179.5	-173.5	171.8	0	113.1	D416 L417	D416-K419 HydrophobicContact CB-CB 4.31Å; D416-K419 HydrophobicContact CB-CD 4.12Å; D416-K419 HydrophobicContact CB-CG 4.21Å; D416-K419 PolarHBondContact O-N 3.21Å; D416-K419 WeakPolarHBondContact OD2-CE 3.37Å; D416-K419 IonicContact OD2-NZ 2.75Å; L417-K419 VanDerWaalsContact C-N 3.3Å; L417-K419 PolarHBondContact O-N 2.98Å
420	I	77.8	Confident	84.6	Confident	10 Å²	10	96.8 Å²	96.8	5%	0.051	49%	0.492	C	S	.	.	H	α-helix	trans	-75.8	-37.4	-179.8	-60.2	165.2	0	0	0	111	F401 K404 P415 D416 L417	F401-I420 HydrophobicContact CB-CG2 4.47Å; F401-I420 HydrophobicContact CD2-CB 4.09Å; F401-I420 HydrophobicContact CD2-CG2 3.24Å; F401-I420 HydrophobicContact CE2-CB 3.97Å; F401-I420 HydrophobicContact CE2-CD1 3.77Å; F401-I420 HydrophobicContact CE2-CG2 3.52Å; F401-I420 HydrophobicContact CG-CG2 3.99Å; F401-I420 HydrophobicContact CZ-CD1 4.06Å; F401-I420 HydrophobicContact CZ-CG2 4.45Å; K404-I420 HydrophobicContact CB-CG2 3.86Å; K404-I420 HydrophobicContact CD-CG2 4.04Å; K404-I420 WeakPolarHBondContact CD-O 3.26Å; K404-I420 PolarHBondContact NZ-O 3.01Å; P415-I420 HydrophobicContact CB-CD1 3.58Å; P415-I420 HydrophobicContact CB-CG1 3.97Å; P415-I420 HydrophobicContact CG-CD1 3.93Å; D416-I420 WeakPolarHBondContact O-CG1 3.43Å; D416-I420 PolarHBondContact O-N 2.93Å; L417-I420 HydrophobicContact CD2-CD1 4.32Å
421	L	82.6	Confident	84.5	Confident	56 Å²	56	100.6 Å²	100.6	29%	0.293	50%	0.498	S	S	.	.	S	Bend	trans	-88.4	123	178.2	-67.7	172.7	0	0	0	110.8	V397 F401 M429	V397-L421 HydrophobicContact CG1-CD2 3.64Å; F401-L421 HydrophobicContact CD2-CD2 4.29Å; L421-M429 HydrophobicContact CD1-CE 4.45Å
422	D	84.1	Confident	84.4	Confident	71 Å²	71	93.3 Å²	93.3	38%	0.38	47%	0.468	S	S	.	.			trans	-78.5	159	178.5	-61.1	-33	0	0	0	111.1	K404 D424 D425 I426	K404-D422 IonicContact NZ-OD1 3.9Å; K404-D422 PolarHBondContact NZ-OD1 2.82Å; K404-D422 IonicContact NZ-OD2 2.68Å; K404-D422 PolarHBondContact NZ-OD2 3.48Å; D422-D424 PolarHBondContact O-N 2.94Å; D422-D425 PolarHBondContact N-OD2 3.5Å; D422-D425 PolarHBondContact O-N 3.35Å; D422-D425 VanDerWaalsContact O-N 3.1Å; D422-I426 PolarHBondContact O-N 3.2Å; D422-I426 VanDerWaalsContact O-N 3.1Å
423	R	85.8	Confident	84.3	Confident	218 Å²	218	94.7 Å²	94.7	82%	0.823	46%	0.457	S	S	*	.	H	α-helix	trans	-56.9	-33.4	173.4	-80.5	-173	160.5	-167.1	-4.3	112.6	I426 T427	R423-I426 PolarHBondContact O-N 2.75Å; R423-T427 WeakPolarHBondContact O-CB 3.27Å; R423-T427 PolarHBondContact O-N 3.33Å; R423-T427 PolarHBondContact O-OG1 3.16Å
424	D	87.1	Confident	84.4	Confident	117 Å²	117	95.1 Å²	95.1	63%	0.626	46%	0.457	S	S	*	.	H	α-helix	trans	-67.6	-42	177.5	-66.6	-17.2	0	0	0	111.2	D422 I426 T427 I428	D422-D424 PolarHBondContact O-N 2.94Å; D424-I426 VanDerWaalsContact C-N 3.34Å; D424-I426 PolarHBondContact O-N 3.36Å; D424-T427 WeakPolarHBondContact O-CB 3.36Å; D424-T427 PolarHBondContact O-N 3.2Å; D424-T427 VanDerWaalsContact O-N 3.12Å; D424-I428 VanDerWaalsContact O-CG1 3.31Å; D424-I428 WeakPolarHBondContact O-CG1 3.44Å; D424-I428 PolarHBondContact O-N 3.49Å
425	D	86.9	Confident	84.4	Confident	3 Å²	3	89.1 Å²	89.1	2%	0.016	43%	0.43	C	S	.	.	H	α-helix	trans	-63	-42.7	176.5	-62	-39.2	0	0	0	110.8	V397 K400 D422 T427 I428 M429	V397-D425 HydrophobicContact CG2-CB 4.25Å; K400-D425 WeakPolarHBondContact CD-OD1 3.29Å; K400-D425 IonicContact NZ-OD1 2.72Å; K400-D425 PolarHBondContact NZ-OD1 2.87Å; D422-D425 PolarHBondContact N-OD2 3.5Å; D422-D425 PolarHBondContact O-N 3.35Å; D422-D425 VanDerWaalsContact O-N 3.1Å; D425-T427 VanDerWaalsContact C-N 3.29Å; D425-T427 PolarHBondContact O-N 3.13Å; D425-I428 PolarHBondContact O-N 3.24Å; D425-M429 WeakPolarHBondContact O-CB 3.47Å; D425-M429 VanDerWaalsContact O-CG 3.31Å; D425-M429 WeakPolarHBondContact O-CG 3.4Å; D425-M429 PolarHBondContact O-N 3.29Å
426	I	87.8	Confident	84.6	Confident	67 Å²	67	89.2 Å²	89.2	34%	0.344	43%	0.43	S	S	.	.	H	α-helix	trans	-60.5	-40.6	173.8	-64	171.3	0	0	0	111	D422 R423 D424 M429 K430	D422-I426 PolarHBondContact O-N 3.2Å; D422-I426 VanDerWaalsContact O-N 3.1Å; R423-I426 PolarHBondContact O-N 2.75Å; D424-I426 VanDerWaalsContact C-N 3.34Å; D424-I426 PolarHBondContact O-N 3.36Å; I426-M429 HydrophobicContact CG1-CE 4.27Å; I426-M429 PolarHBondContact O-N 3.41Å; I426-K430 HydrophobicContact CG2-CD 4.17Å; I426-K430 HydrophobicContact CG2-CG 4.5Å; I426-K430 WeakPolarHBondContact O-CB 3.4Å; I426-K430 VanDerWaalsContact O-CG 3.32Å; I426-K430 WeakPolarHBondContact O-CG 3.04Å; I426-K430 PolarHBondContact O-N 3.27Å
427	T	90.4	Very high	84.7	Confident	74 Å²	74	91.7 Å²	91.7	45%	0.454	44%	0.439	S	S	.	.	H	α-helix	trans	-66.9	-44.1	179.8	-59.4	0	0	0	0	111.3	R423 D424 D425 K430 R431	R423-T427 WeakPolarHBondContact O-CB 3.27Å; R423-T427 PolarHBondContact O-N 3.33Å; R423-T427 PolarHBondContact O-OG1 3.16Å; D424-T427 WeakPolarHBondContact O-CB 3.36Å; D424-T427 PolarHBondContact O-N 3.2Å; D424-T427 VanDerWaalsContact O-N 3.12Å; D425-T427 VanDerWaalsContact C-N 3.29Å; D425-T427 PolarHBondContact O-N 3.13Å; T427-K430 PolarHBondContact O-N 3.21Å; T427-R431 WeakPolarHBondContact O-CG 3.36Å; T427-R431 PolarHBondContact O-N 3.33Å
428	I	88.7	Confident	85.2	Confident	79 Å²	79	87.5 Å²	87.5	41%	0.405	42%	0.415	S	S	.	.	H	α-helix	trans	-64.2	-44.6	177	-63.3	166.3	0	0	0	110.2	T393 D424 D425 K430 R431 A432	T393-I428 HydrophobicContact CG2-CG2 3.63Å; D424-I428 VanDerWaalsContact O-CG1 3.31Å; D424-I428 WeakPolarHBondContact O-CG1 3.44Å; D424-I428 PolarHBondContact O-N 3.49Å; D425-I428 PolarHBondContact O-N 3.24Å; I428-K430 PolarHBondContact O-N 2.99Å; I428-R431 PolarHBondContact O-N 3.09Å; I428-A432 WeakPolarHBondContact O-CB 2.97Å; I428-A432 PolarHBondContact O-N 3.41Å
429	M	88.9	Confident	85.6	Confident	60 Å²	60	89.9 Å²	89.9	30%	0.296	42%	0.421	S	S	.	.	H	α-helix	trans	-58.9	-45.4	174.9	-74	-171.9	-72.7	0	0	111.8	T393 V397 L421 D425 I426 R431 A432 I433	T393-M429 HydrophobicContact CG2-CG 4.47Å; V397-M429 HydrophobicContact CG1-CE 4.49Å; V397-M429 HydrophobicContact CG1-SD 4.31Å; V397-M429 HydrophobicContact CG2-CG 4.22Å; V397-M429 HydrophobicContact CG2-SD 4.42Å; L421-M429 HydrophobicContact CD1-CE 4.45Å; D425-M429 WeakPolarHBondContact O-CB 3.47Å; D425-M429 VanDerWaalsContact O-CG 3.31Å; D425-M429 WeakPolarHBondContact O-CG 3.4Å; D425-M429 PolarHBondContact O-N 3.29Å; I426-M429 HydrophobicContact CG1-CE 4.27Å; I426-M429 PolarHBondContact O-N 3.41Å; M429-R431 PolarHBondContact O-N 3.19Å; M429-A432 PolarHBondContact O-N 3.33Å; M429-I433 VanDerWaalsContact O-CG1 3.31Å; M429-I433 WeakPolarHBondContact O-CG1 3.48Å; M429-I433 PolarHBondContact O-N 3.26Å
430	K	90.4	Very high	86.3	Confident	123 Å²	123	84.8 Å²	84.8	54%	0.535	41%	0.405	S	S	.	.	H	α-helix	trans	-60.2	-45.1	175.2	-76.5	177.3	179.2	-178.7	0	112	I426 T427 I428 A432 I433 F434	I426-K430 HydrophobicContact CG2-CD 4.17Å; I426-K430 HydrophobicContact CG2-CG 4.5Å; I426-K430 WeakPolarHBondContact O-CB 3.4Å; I426-K430 VanDerWaalsContact O-CG 3.32Å; I426-K430 WeakPolarHBondContact O-CG 3.04Å; I426-K430 PolarHBondContact O-N 3.27Å; T427-K430 PolarHBondContact O-N 3.21Å; I428-K430 PolarHBondContact O-N 2.99Å; K430-A432 VanDerWaalsContact C-N 3.31Å; K430-A432 PolarHBondContact O-N 3.29Å; K430-I433 PolarHBondContact O-N 2.87Å; K430-F434 HydrophobicContact CB-CE2 4.4Å; K430-F434 WeakPolarHBondContact O-CD2 3.48Å; K430-F434 PolarHBondContact O-N 3.49Å
431	R	89.5	Confident	87	Confident	192 Å²	192	87.5 Å²	87.5	73%	0.725	42%	0.42	S	S	*	.	H	α-helix	trans	-60.2	-41.6	176.7	-71.5	-178.4	91.6	-178.9	7	111.7	T427 I428 M429 F434 S435	T427-R431 WeakPolarHBondContact O-CG 3.36Å; T427-R431 PolarHBondContact O-N 3.33Å; I428-R431 PolarHBondContact O-N 3.09Å; M429-R431 PolarHBondContact O-N 3.19Å; R431-F434 PolarHBondContact O-N 2.99Å; R431-S435 PolarHBondContact O-N 3.4Å
432	A	87.2	Confident	87.6	Confident	4 Å²	4	85 Å²	85	3%	0.033	41%	0.407	C	S	.	.	H	α-helix	trans	-66.8	-36.8	176.5	0	0	0	0	0	111.8	L390 T393 I428 M429 K430 S435 T436	L390-A432 HydrophobicContact CD2-CB 3.81Å; L390-A432 WeakPolarHBondContact CD2-O 3.5Å; T393-A432 HydrophobicContact CG2-CB 4.22Å; I428-A432 WeakPolarHBondContact O-CB 2.97Å; I428-A432 PolarHBondContact O-N 3.41Å; M429-A432 PolarHBondContact O-N 3.33Å; K430-A432 VanDerWaalsContact C-N 3.31Å; K430-A432 PolarHBondContact O-N 3.29Å; A432-S435 PolarHBondContact O-N 2.96Å; A432-S435 PolarHBondContact O-OG 3.45Å; A432-T436 WeakPolarHBondContact O-CG2 3.32Å
433	I	87.9	Confident	88.2	Confident	102 Å²	102	82.5 Å²	82.5	52%	0.523	40%	0.395	S	S	.	.	H	α-helix	trans	-64.8	-43.9	172.6	-68.2	163.8	0	0	0	110.9	M429 K430 S435 T436	M429-I433 VanDerWaalsContact O-CG1 3.31Å; M429-I433 WeakPolarHBondContact O-CG1 3.48Å; M429-I433 PolarHBondContact O-N 3.26Å; K430-I433 PolarHBondContact O-N 2.87Å; I433-S435 PolarHBondContact O-N 3.36Å; I433-T436 WeakPolarHBondContact O-CB 3.43Å; I433-T436 PolarHBondContact O-N 2.97Å; I433-T436 PolarHBondContact O-OG1 2.84Å
434	F	87.5	Confident	88.7	Confident	131 Å²	131	73.5 Å²	73.5	58%	0.575	36%	0.363	S	S	*	.	H	α-helix	trans	-61.7	-30.3	178.6	-77.8	-64.1	0	0	0	113	K430 R431 T436 Q437	K430-F434 HydrophobicContact CB-CE2 4.4Å; K430-F434 WeakPolarHBondContact O-CD2 3.48Å; K430-F434 PolarHBondContact O-N 3.49Å; R431-F434 PolarHBondContact O-N 2.99Å; F434-T436 PolarHBondContact O-N 2.77Å; F434-Q437 PolarHBondContact O-N 2.68Å
435	S	84.1	Confident	89.2	Confident	41 Å²	41	68.5 Å²	68.5	29%	0.287	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-12	175.4	69.1	0	0	0	0	114.1	R431 A432 I433 Q437	R431-S435 PolarHBondContact O-N 3.4Å; A432-S435 PolarHBondContact O-N 2.96Å; A432-S435 PolarHBondContact O-OG 3.45Å; I433-S435 PolarHBondContact O-N 3.36Å; S435-Q437 VanDerWaalsContact C-N 3.35Å
436	T	84.6	Confident	89.7	Confident	32 Å²	32	68.4 Å²	68.4	20%	0.196	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-10.6	176	72.1	0	0	0	0	114.1	V386 L390 A432 I433 F434 R438	V386-T436 HydrophobicContact CG1-CG2 4.1Å; L390-T436 HydrophobicContact CD1-CG2 3.56Å; L390-T436 HydrophobicContact CD2-CG2 3.91Å; L390-T436 HydrophobicContact CG-CG2 4.07Å; A432-T436 WeakPolarHBondContact O-CG2 3.32Å; I433-T436 WeakPolarHBondContact O-CB 3.43Å; I433-T436 PolarHBondContact O-N 2.97Å; I433-T436 PolarHBondContact O-OG1 2.84Å; F434-T436 PolarHBondContact O-N 2.77Å; T436-R438 PolarHBondContact O-N 3.02Å
437	Q	83.8	Confident	90.1	Very high	123 Å²	123	65.3 Å²	65.3	58%	0.575	32%	0.321	S	S	*	.			trans	-67.2	127.1	-179.1	-66.8	-171.6	-8.8	0	0	110.1	F434 S435	F434-Q437 PolarHBondContact O-N 2.68Å; S435-Q437 VanDerWaalsContact C-N 3.35Å
438	R	83.6	Confident	90.4	Very high	28 Å²	28	65.1 Å²	65.1	11%	0.106	32%	0.317	C	S	.	.			trans	-132.8	136.1	-177.6	-167.7	-176.2	-172.8	-167.8	-21.4	110.1	Y314 E379 T436 C440 L441	Y314-R438 HydrophobicContact CD2-CB 4.37Å; Y314-R438 HydrophobicContact CE2-CB 3.78Å; Y314-R438 HydrophobicContact CE2-CG 4Å; Y314-R438 VanDerWaalsContact CZ-CD 3.42Å; Y314-R438 PolarHBondContact OH-NE 3.35Å; E379-R438 IonicContact OE2-CZ 2.93Å; E379-R438 IonicContact OE2-NE 2.62Å; E379-R438 PolarHBondContact OE2-NE 3.33Å; E379-R438 IonicContact OE2-NH2 2.77Å; T436-R438 PolarHBondContact O-N 3.02Å; R438-C440 VanDerWaalsContact CD-O 3.25Å; R438-C440 WeakPolarHBondContact CD-O 3.44Å; R438-C440 WeakPolarHBondContact CG-O 3.36Å; R438-C440 PolarHBondContact NE-O 3.43Å; R438-C440 PolarHBondContact NE-SG 3.39Å; R438-C440 PolarHBondContact NH2-SG 3.23Å; R438-L441 PolarHBondContact NH2-O 3.31Å
439	H	82.4	Confident	90.7	Very high	194 Å²	194	62.4 Å²	62.4	90%	0.898	30%	0.303	S	S	*	.	S	Bend	trans	-97.6	-18.5	179.2	-62.5	-65.3	0	0	0	114
440	C	90.9	Very high	91	Very high	55 Å²	55	64.1 Å²	64.1	37%	0.372	31%	0.312	S	S	.	.	S	Bend	trans	-102.7	158.7	177	56.2	0	0	0	0	112.1	H316 R438	H316-C440 PolarHBondContact CE1-O 2.72Å; H316-C440 VanDerWaalsContact CE1-O 3.23Å; R438-C440 VanDerWaalsContact CD-O 3.25Å; R438-C440 WeakPolarHBondContact CD-O 3.44Å; R438-C440 WeakPolarHBondContact CG-O 3.36Å; R438-C440 PolarHBondContact NE-O 3.43Å; R438-C440 PolarHBondContact NE-SG 3.39Å; R438-C440 PolarHBondContact NH2-SG 3.23Å
441	L	93.7	Very high	91.2	Very high	68 Å²	68	62.3 Å²	62.3	36%	0.356	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-71.7	155.1	175.8	-65.6	175	0	0	0	111.7	R438 F467 N469	R438-L441 PolarHBondContact NH2-O 3.31Å; L441-F467 HydrophobicContact CD1-CB 4.26Å; L441-N469 VanDerWaalsContact CD1-OD1 3.32Å; L441-N469 WeakPolarHBondContact CD1-OD1 3.31Å
442	P	95.5	Very high	91.4	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.019	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-51.1	125	169.7	-25.5	35.7	0	0	0	111.7	F313 H316 N468	F313-P442 HydrophobicContact CD1-CB 3.66Å; F313-P442 HydrophobicContact CD1-CG 3.48Å; F313-P442 VanDerWaalsContact CD1-CG 3.48Å; F313-P442 HydrophobicContact CE1-CB 3.69Å; F313-P442 HydrophobicContact CE1-CG 3.9Å; F313-P442 HydrophobicContact CG-CB 4.25Å; F313-P442 HydrophobicContact CG-CG 4.22Å; F313-P442 HydrophobicContact CZ-CB 4.31Å; H316-P442 HydrophobicContact CB-CG 3.7Å; P442-N468 HydrophobicContact CB-CB 4.08Å; P442-N468 HydrophobicContact CG-CB 4.48Å; P442-N468 PolarHBondContact O-ND2 3.47Å
443	P	95.9	Very high	91.7	Very high	19 Å²	19	58.6 Å²	58.6	12%	0.123	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-67.8	142.6	-173.2	29.9	-30.8	0	0	0	109.6	H312 T445	H312-P443 PolarHBondContact CE1-O 3.09Å; H312-P443 PolarHBondContact NE2-O 3.44Å; P443-T445 VanDerWaalsContact C-N 3.27Å
444	V	97	Very high	92.1	Very high	28 Å²	28	59.2 Å²	59.2	17%	0.17	32%	0.318	C	S	.	.	S	Bend	trans	-77.8	-14.3	177.4	-62.9	0	0	0	0	112.6	L458 I461 I477 L478	V444-L458 HydrophobicContact CG2-CD2 3.83Å; V444-I461 HydrophobicContact CB-CG2 4.37Å; V444-I461 HydrophobicContact CG1-CG2 4.07Å; V444-I461 HydrophobicContact CG2-CG2 4.37Å; V444-I477 CarbonylContact O-C 3.59Å; V444-I477 WeakPolarHBondContact O-CA 3.47Å; V444-L478 WeakPolarHBondContact O-CB 3.35Å; V444-L478 PolarHBondContact O-N 2.95Å
445	T	97	Very high	92.6	Very high	13 Å²	13	53.6 Å²	53.6	8%	0.08	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-127.9	143.9	175.9	-178.8	0	0	0	0	111.4	P443 H447 L458 L478	P443-T445 VanDerWaalsContact C-N 3.27Å; T445-H447 WeakPolarHBondContact CG2-O 3.3Å; T445-H447 PolarHBondContact OG1-N 3.15Å; T445-H447 PolarHBondContact OG1-O 2.82Å; T445-L458 HydrophobicContact CG2-CD2 4.4Å; T445-L478 CarbonylContact C-O 3.49Å; T445-L478 VanDerWaalsContact CA-O 3.31Å; T445-L478 WeakPolarHBondContact CA-O 3.38Å
446	T	96.8	Very high	93.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-85.4	-14.1	179.2	64.4	0	0	0	0	113.9	F308 N377 T380 I477 L478 H479	F308-T446 HydrophobicContact CZ-CG2 4.09Å; N377-T446 WeakPolarHBondContact CB-O 3.3Å; N377-T446 PolarHBondContact N-O 3.43Å; T380-T446 HydrophobicContact CG2-CG2 4.21Å; T446-I477 HydrophobicContact CG2-CG2 3.7Å; T446-L478 PolarHBondContact N-O 3.24Å; T446-H479 PolarHBondContact OG1-ND1 3.17Å
447	H	96.1	Very high	93.7	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	161.6	-175.2	-65.8	94.8	0	0	0	111.8	T373 F376 T445 M449 H479 P480 E481	T373-H447 HydrophobicContact CG2-CB 3.7Å; F376-H447 AromaticContact CD1-CD2 3.45Å; F376-H447 VanDerWaalsContact CD1-CD2 3.45Å; F376-H447 WeakPolarHBondContact CD1-CD2 3.35Å; F376-H447 AromaticContact CD1-CE1 3.96Å; F376-H447 AromaticContact CD1-NE2 3.08Å; F376-H447 WeakPolarHBondContact CD1-NE2 3.4Å; F376-H447 AromaticContact CE1-CD2 3.84Å; F376-H447 AromaticContact CE1-CE1 3.88Å; F376-H447 AromaticContact CE1-NE2 3.02Å; F376-H447 WeakPolarHBondContact CE1-NE2 3.27Å; T445-H447 WeakPolarHBondContact CG2-O 3.3Å; T445-H447 PolarHBondContact OG1-N 3.15Å; T445-H447 PolarHBondContact OG1-O 2.82Å; H447-M449 PolarHBondContact O-N 3Å; H447-H479 AromaticContact CE1-CE1 3.64Å; H447-H479 AromaticContact CE1-ND1 3.82Å; H447-P480 HydrophobicContact CB-CG 3.65Å; H447-P480 VanDerWaalsContact ND1-CD 3.31Å; H447-P480 WeakPolarHBondContact ND1-CD 3.43Å; H447-P480 WeakPolarHBondContact ND1-CG 3.28Å; H447-E481 IonicContact CE1-OE2 3.25Å; H447-E481 IonicContact NE2-OE2 3.56Å; H447-E481 PolarHBondContact NE2-OE2 3.13Å; H447-E481 VanDerWaalsContact NE2-OE2 3.11Å
448	N	95.9	Very high	94.4	Very high	69 Å²	69	46.9 Å²	46.9	37%	0.369	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	113.5	168	-45.8	-59.1	0	0	0	108.5	T373 N374 N375 F376	T373-N448 CarbonylContact C-O 3.51Å; T373-N448 VanDerWaalsContact CA-O 3.32Å; T373-N448 WeakPolarHBondContact CA-O 3.47Å; N374-N448 PolarHBondContact N-O 3.25Å; N374-N448 WeakPolarHBondContact O-CB 3.48Å; N374-N448 PolarHBondContact O-ND2 2.84Å; N375-N448 PolarHBondContact O-N 3.35Å; N375-N448 VanDerWaalsContact O-N 3.15Å; F376-N448 PolarHBondContact O-ND2 2.7Å; F376-N448 VanDerWaalsContact O-ND2 3.15Å
449	M	95.8	Very high	95.1	Very high	22 Å²	22	48.4 Å²	48.4	11%	0.108	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	139.9	178.1	-62.8	-62.8	-77.9	0	0	110.2	A371 T373 H447 D451 D452 D455 L458 P480	A371-M449 HydrophobicContact CB-CE 3.51Å; A371-M449 HydrophobicContact CB-SD 4.27Å; T373-M449 HydrophobicContact CG2-SD 3.81Å; H447-M449 PolarHBondContact O-N 3Å; M449-D451 VanDerWaalsContact C-N 3.34Å; M449-D452 HydrophobicContact CB-CB 4.04Å; M449-D455 HydrophobicContact CE-CB 4.49Å; M449-D455 WeakPolarHBondContact CE-OD2 3.46Å; M449-L458 HydrophobicContact CB-CD1 4.43Å; M449-L458 HydrophobicContact CG-CD1 3.7Å; M449-P480 HydrophobicContact CE-CB 4.38Å; M449-P480 HydrophobicContact SD-CB 3.77Å; M449-P480 HydrophobicContact SD-CG 3.64Å
450	I	95.4	Very high	95.8	Very high	97 Å²	97	39.8 Å²	39.8	50%	0.497	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-41	175.8	-65.5	-171.2	0	0	0	110.6	K372	K372-I450 HydrophobicContact CB-CB 4.32Å; K372-I450 HydrophobicContact CB-CD1 3.98Å; K372-I450 HydrophobicContact CB-CG1 4.26Å; K372-I450 PolarHBondContact O-N 2.92Å
451	D	93.8	Very high	96.1	Very high	85 Å²	85	37.2 Å²	37.2	46%	0.455	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	63.6	178.3	-167.9	2.4	0	0	0	111.1	M449 G453 N454 D455	M449-D451 VanDerWaalsContact C-N 3.34Å; D451-G453 PolarHBondContact O-N 2.81Å; D451-N454 PolarHBondContact O-N 3.16Å; D451-N454 PolarHBondContact OD1-N 3.43Å; D451-N454 PolarHBondContact OD1-ND2 2.7Å; D451-N454 WeakPolarHBondContact OD2-CB 3.44Å; D451-N454 PolarHBondContact OD2-ND2 3.03Å; D451-D455 WeakPolarHBondContact O-CB 3.36Å; D451-D455 PolarHBondContact O-N 3.32Å; D451-D455 VanDerWaalsContact O-N 3.12Å
452	D	94.3	Very high	96.3	Very high	72 Å²	72	38.2 Å²	38.2	39%	0.385	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.7	179.6	-178.6	-98.7	0	0	0	113.6	M449 L458 R462	M449-D452 HydrophobicContact CB-CB 4.04Å; D452-L458 VanDerWaalsContact OD2-CD1 3.23Å; D452-L458 WeakPolarHBondContact OD2-CD1 3.25Å; D452-R462 PolarHBondContact O-NH1 2.81Å; D452-R462 PolarHBondContact O-NH2 3.49Å; D452-R462 IonicContact OD1-CZ 3.25Å; D452-R462 IonicContact OD1-NH2 3.18Å; D452-R462 PolarHBondContact OD1-NH2 3.19Å; D452-R462 IonicContact OD2-NH2 2.71Å; D452-R462 PolarHBondContact OD2-NH2 3.47Å
453	G	94.7	Very high	96.4	Very high	45 Å²	45	46.2 Å²	46.2	46%	0.464	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-33.9	-175.8	0	0	0	0	0	113.7	D451 N459	D451-G453 PolarHBondContact O-N 2.81Å; G453-N459 PolarHBondContact O-ND2 3.47Å; G453-N459 PolarHBondContact O-OD1 2.9Å
454	N	95.7	Very high	96.4	Very high	116 Å²	116	46.8 Å²	46.8	62%	0.62	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-3	178.4	-57.1	-51.2	0	0	0	113.6	D451 P456	D451-N454 PolarHBondContact O-N 3.16Å; D451-N454 PolarHBondContact OD1-N 3.43Å; D451-N454 PolarHBondContact OD1-ND2 2.7Å; D451-N454 WeakPolarHBondContact OD2-CB 3.44Å; D451-N454 PolarHBondContact OD2-ND2 3.03Å; N454-P456 VanDerWaalsContact O-CD 3.28Å; N454-P456 WeakPolarHBondContact O-CD 3.29Å
455	D	96.9	Very high	96.4	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.064	25%	0.249	C	C	.	.			trans	-57.9	118.7	178.8	-177.8	-86.7	0	0	0	111.9	Y333 M449 D451 I457 L458 N459	Y333-D455 PolarHBondContact OH-OD1 3.03Å; Y333-D455 PolarHBondContact OH-OD2 3.42Å; M449-D455 HydrophobicContact CE-CB 4.49Å; M449-D455 WeakPolarHBondContact CE-OD2 3.46Å; D451-D455 WeakPolarHBondContact O-CB 3.36Å; D451-D455 PolarHBondContact O-N 3.32Å; D451-D455 VanDerWaalsContact O-N 3.12Å; D455-I457 PolarHBondContact O-N 3.04Å; D455-I457 PolarHBondContact OD1-N 3.37Å; D455-I457 VanDerWaalsContact OD1-N 3.16Å; D455-L458 HydrophobicContact CB-CB 4.08Å; D455-L458 HydrophobicContact CB-CD1 3.99Å; D455-L458 HydrophobicContact CB-CG 4.25Å; D455-L458 PolarHBondContact O-N 2.67Å; D455-L458 WeakPolarHBondContact OD1-CB 2.88Å; D455-L458 VanDerWaalsContact OD1-CG 3.28Å; D455-L458 WeakPolarHBondContact OD1-CG 3.28Å; D455-L458 PolarHBondContact OD1-N 3.34Å; D455-N459 VanDerWaalsContact O-CB 3.26Å; D455-N459 WeakPolarHBondContact O-CB 3.41Å; D455-N459 PolarHBondContact O-N 3.16Å; D455-N459 PolarHBondContact O-ND2 3.41Å
456	P	96.1	Very high	96.3	Very high	52 Å²	52	46.3 Å²	46.3	34%	0.338	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-37.2	-174.4	-26.4	35.5	0	0	0	114.5	F335 N454 T460	F335-P456 HydrophobicContact CB-CB 4.08Å; F335-P456 HydrophobicContact CD1-CB 3.65Å; F335-P456 HydrophobicContact CD2-CB 3.8Å; F335-P456 HydrophobicContact CE1-CB 3.96Å; F335-P456 HydrophobicContact CE2-CB 4.12Å; F335-P456 HydrophobicContact CG-CB 3.56Å; F335-P456 HydrophobicContact CG-CG 4.47Å; F335-P456 HydrophobicContact CZ-CB 4.2Å; N454-P456 VanDerWaalsContact O-CD 3.28Å; N454-P456 WeakPolarHBondContact O-CD 3.29Å; P456-T460 VanDerWaalsContact O-CB 3.31Å; P456-T460 WeakPolarHBondContact O-CB 3.32Å; P456-T460 PolarHBondContact O-N 2.86Å; P456-T460 PolarHBondContact O-OG1 3.48Å
457	I	97	Very high	96.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-50.7	179.4	-69.1	177.4	0	0	0	109.4	Y333 F335 A340 L344 F367 M369 D455 N459 T460 I461 L478	Y333-I457 HydrophobicContact CE1-CD1 4.2Å; Y333-I457 HydrophobicContact CE1-CG1 4.41Å; Y333-I457 HydrophobicContact CE2-CD1 4.2Å; Y333-I457 WeakPolarHBondContact OH-CG1 3.32Å; F335-I457 HydrophobicContact CD2-CG1 3.76Å; F335-I457 HydrophobicContact CE2-CG1 4.02Å; A340-I457 HydrophobicContact CB-CD1 4.48Å; A340-I457 HydrophobicContact CB-CG1 4.49Å; L344-I457 HydrophobicContact CD1-CG2 4.18Å; F367-I457 HydrophobicContact CD1-CD1 4.2Å; M369-I457 HydrophobicContact SD-CD1 3.79Å; D455-I457 PolarHBondContact O-N 3.04Å; D455-I457 PolarHBondContact OD1-N 3.37Å; D455-I457 VanDerWaalsContact OD1-N 3.16Å; I457-N459 PolarHBondContact O-N 2.95Å; I457-T460 PolarHBondContact O-N 3.18Å; I457-I461 HydrophobicContact CG2-CD1 3.79Å; I457-I461 HydrophobicContact CG2-CG1 4.49Å; I457-I461 VanDerWaalsContact O-CG1 3.3Å; I457-I461 WeakPolarHBondContact O-CG1 3.27Å; I457-I461 PolarHBondContact O-N 3.19Å; I457-L478 HydrophobicContact CB-CD2 4.39Å; I457-L478 HydrophobicContact CD1-CD1 4.03Å; I457-L478 HydrophobicContact CG2-CD1 4.24Å; I457-L478 HydrophobicContact CG2-CD2 4.01Å
458	L	97.6	Very high	96.3	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-41.3	179.9	-67.9	175.6	0	0	0	112	V444 T445 M449 D452 D455 T460 I461 R462 L478	V444-L458 HydrophobicContact CG2-CD2 3.83Å; T445-L458 HydrophobicContact CG2-CD2 4.4Å; M449-L458 HydrophobicContact CB-CD1 4.43Å; M449-L458 HydrophobicContact CG-CD1 3.7Å; D452-L458 VanDerWaalsContact OD2-CD1 3.23Å; D452-L458 WeakPolarHBondContact OD2-CD1 3.25Å; D455-L458 HydrophobicContact CB-CB 4.08Å; D455-L458 HydrophobicContact CB-CD1 3.99Å; D455-L458 HydrophobicContact CB-CG 4.25Å; D455-L458 PolarHBondContact O-N 2.67Å; D455-L458 WeakPolarHBondContact OD1-CB 2.88Å; D455-L458 VanDerWaalsContact OD1-CG 3.28Å; D455-L458 WeakPolarHBondContact OD1-CG 3.28Å; D455-L458 PolarHBondContact OD1-N 3.34Å; L458-T460 VanDerWaalsContact C-N 3.31Å; L458-T460 PolarHBondContact O-N 3.03Å; L458-I461 PolarHBondContact O-N 3.33Å; L458-R462 VanDerWaalsContact O-CG 3.28Å; L458-R462 WeakPolarHBondContact O-CG 3.36Å; L458-R462 PolarHBondContact O-N 3.23Å; L458-L478 HydrophobicContact CD1-CD2 4.45Å; L458-L478 HydrophobicContact CD2-CD2 3.94Å; L458-L478 HydrophobicContact CG-CD2 3.91Å
459	N	97.7	Very high	96.3	Very high	61 Å²	61	49.5 Å²	49.5	33%	0.326	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-39.9	174.3	-80.8	-27.3	0	0	0	112.4	G453 D455 I457 R462 R463	G453-N459 PolarHBondContact O-ND2 3.47Å; G453-N459 PolarHBondContact O-OD1 2.9Å; D455-N459 VanDerWaalsContact O-CB 3.26Å; D455-N459 WeakPolarHBondContact O-CB 3.41Å; D455-N459 PolarHBondContact O-N 3.16Å; D455-N459 PolarHBondContact O-ND2 3.41Å; I457-N459 PolarHBondContact O-N 2.95Å; N459-R462 PolarHBondContact O-N 2.98Å; N459-R462 PolarHBondContact OD1-NH1 3.03Å; N459-R463 WeakPolarHBondContact O-CB 3.4Å; N459-R463 PolarHBondContact O-N 3.14Å
460	T	97.5	Very high	96.2	Very high	13 Å²	13	55.2 Å²	55.2	8%	0.08	28%	0.28	C	S	.	.	H	α-helix	trans	-67.4	-43.1	176.1	-58.8	0	0	0	0	111.3	F335 L344 P456 I457 L458 R462 R463 I464	F335-T460 VanDerWaalsContact CZ-OG1 3.25Å; F335-T460 WeakPolarHBondContact CZ-OG1 3.49Å; L344-T460 HydrophobicContact CB-CG2 3.8Å; L344-T460 HydrophobicContact CD1-CG2 3.67Å; L344-T460 HydrophobicContact CG-CG2 4.36Å; P456-T460 VanDerWaalsContact O-CB 3.31Å; P456-T460 WeakPolarHBondContact O-CB 3.32Å; P456-T460 PolarHBondContact O-N 2.86Å; P456-T460 PolarHBondContact O-OG1 3.48Å; I457-T460 PolarHBondContact O-N 3.18Å; L458-T460 VanDerWaalsContact C-N 3.31Å; L458-T460 PolarHBondContact O-N 3.03Å; T460-R462 VanDerWaalsContact C-N 3.31Å; T460-R462 PolarHBondContact O-N 2.78Å; T460-R463 WeakPolarHBondContact O-CB 3.35Å; T460-R463 PolarHBondContact O-N 3.18Å; T460-R463 VanDerWaalsContact O-N 3.13Å; T460-I464 HydrophobicContact CG2-CG2 4.41Å; T460-I464 VanDerWaalsContact O-CG1 3.31Å; T460-I464 WeakPolarHBondContact O-CG1 3.14Å; T460-I464 PolarHBondContact O-N 3.35Å
461	I	97.6	Very high	96.1	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-57	-44.5	173.8	-70.1	167.2	0	0	0	110.9	L344 V444 I457 L458 G465 L466 V476	L344-I461 HydrophobicContact CD2-CD1 4.39Å; L344-I461 HydrophobicContact CD2-CG1 3.79Å; V444-I461 HydrophobicContact CB-CG2 4.37Å; V444-I461 HydrophobicContact CG1-CG2 4.07Å; V444-I461 HydrophobicContact CG2-CG2 4.37Å; I457-I461 HydrophobicContact CG2-CD1 3.79Å; I457-I461 HydrophobicContact CG2-CG1 4.49Å; I457-I461 VanDerWaalsContact O-CG1 3.3Å; I457-I461 WeakPolarHBondContact O-CG1 3.27Å; I457-I461 PolarHBondContact O-N 3.19Å; L458-I461 PolarHBondContact O-N 3.33Å; I461-G465 PolarHBondContact O-N 3.07Å; I461-L466 WeakPolarHBondContact CG2-O 3.28Å; I461-L466 PolarHBondContact O-N 3.45Å; I461-V476 HydrophobicContact CD1-CG1 3.8Å; I461-V476 HydrophobicContact CG1-CG1 4.45Å
462	R	97.3	Very high	96.3	Very high	89 Å²	89	50.9 Å²	50.9	34%	0.336	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-43.8	175	-69.3	172.5	-164.4	122.2	6.1	111.9	D452 L458 N459 T460 F467	D452-R462 PolarHBondContact O-NH1 2.81Å; D452-R462 PolarHBondContact O-NH2 3.49Å; D452-R462 IonicContact OD1-CZ 3.25Å; D452-R462 IonicContact OD1-NH2 3.18Å; D452-R462 PolarHBondContact OD1-NH2 3.19Å; D452-R462 IonicContact OD2-NH2 2.71Å; D452-R462 PolarHBondContact OD2-NH2 3.47Å; L458-R462 VanDerWaalsContact O-CG 3.28Å; L458-R462 WeakPolarHBondContact O-CG 3.36Å; L458-R462 PolarHBondContact O-N 3.23Å; N459-R462 PolarHBondContact O-N 2.98Å; N459-R462 PolarHBondContact OD1-NH1 3.03Å; T460-R462 VanDerWaalsContact C-N 3.31Å; T460-R462 PolarHBondContact O-N 2.78Å; R462-F467 HydrophobicContact CB-CE1 4.35Å; R462-F467 HydrophobicContact CB-CZ 4.47Å; R462-F467 HydrophobicContact CG-CE1 4.13Å
463	R	97.5	Very high	96.4	Very high	171 Å²	171	50.8 Å²	50.8	65%	0.645	26%	0.255	S	S	*	.	H	α-helix	trans	-62.2	-44.9	179.1	-174	-170.1	74.4	179.7	4.2	112.3	E345 N459 T460	E345-R463 IonicContact OE2-NH2 3.63Å; E345-R463 PolarHBondContact OE2-NH2 3.34Å; N459-R463 WeakPolarHBondContact O-CB 3.4Å; N459-R463 PolarHBondContact O-N 3.14Å; T460-R463 WeakPolarHBondContact O-CB 3.35Å; T460-R463 PolarHBondContact O-N 3.18Å; T460-R463 VanDerWaalsContact O-N 3.13Å
464	I	96.6	Very high	96.6	Very high	31 Å²	31	48.6 Å²	48.6	16%	0.159	23%	0.233	C	C	.	.	H	α-helix	trans	-85.7	-11.8	-176.6	69.8	-173.9	0	0	0	113.5	L344 T460 L466	L344-I464 HydrophobicContact CB-CD1 4.14Å; L344-I464 HydrophobicContact CD2-CD1 4.45Å; L344-I464 WeakPolarHBondContact O-CD1 3.34Å; T460-I464 HydrophobicContact CG2-CG2 4.41Å; T460-I464 VanDerWaalsContact O-CG1 3.31Å; T460-I464 WeakPolarHBondContact O-CG1 3.14Å; T460-I464 PolarHBondContact O-N 3.35Å; I464-L466 HydrophobicContact CD1-CB 4.35Å; I464-L466 HydrophobicContact CD1-CD1 3.68Å; I464-L466 HydrophobicContact CD1-CG 3.99Å; I464-L466 HydrophobicContact CG1-CB 4.2Å; I464-L466 HydrophobicContact CG1-CD1 4.26Å; I464-L466 HydrophobicContact CG1-CG 4Å
465	G	96.2	Very high	96.7	Very high	27 Å²	27	43.2 Å²	43.2	28%	0.278	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	19.8	174.5	0	0	0	0	0	115.9	I461 F467	I461-G465 PolarHBondContact O-N 3.07Å; G465-F467 VanDerWaalsContact C-N 3.33Å; G465-F467 PolarHBondContact O-N 3.14Å
466	L	95.9	Very high	96.8	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	20%	0.201	C	C	.	.			trans	-82.9	71.4	178	-72.7	-177.5	0	0	0	112	L347 N351 I461 I464 N468 V476	L347-L466 HydrophobicContact CB-CD1 4.08Å; N351-L466 HydrophobicContact CB-CD2 3.99Å; N351-L466 WeakPolarHBondContact ND2-CD2 3.28Å; I461-L466 WeakPolarHBondContact CG2-O 3.28Å; I461-L466 PolarHBondContact O-N 3.45Å; I464-L466 HydrophobicContact CD1-CB 4.35Å; I464-L466 HydrophobicContact CD1-CD1 3.68Å; I464-L466 HydrophobicContact CD1-CG 3.99Å; I464-L466 HydrophobicContact CG1-CB 4.2Å; I464-L466 HydrophobicContact CG1-CD1 4.26Å; I464-L466 HydrophobicContact CG1-CG 4Å; L466-N468 VanDerWaalsContact C-N 3.34Å; L466-N468 PolarHBondContact O-N 2.8Å; L466-V476 HydrophobicContact CB-CG2 4.44Å; L466-V476 HydrophobicContact CD1-CG2 4.15Å
467	F	96.4	Very high	96.9	Very high	87 Å²	87	40.2 Å²	40.2	38%	0.382	19%	0.185	S	C	.	.	S	Bend	trans	-91.4	19.6	-175.6	-57.7	-61.5	0	0	0	114.9	L441 R462 G465 N469	L441-F467 HydrophobicContact CD1-CB 4.26Å; R462-F467 HydrophobicContact CB-CE1 4.35Å; R462-F467 HydrophobicContact CB-CZ 4.47Å; R462-F467 HydrophobicContact CG-CE1 4.13Å; G465-F467 VanDerWaalsContact C-N 3.33Å; G465-F467 PolarHBondContact O-N 3.14Å; F467-N469 VanDerWaalsContact C-N 3.31Å; F467-N469 PolarHBondContact O-N 3.07Å
468	N	97	Very high	96.9	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.016	19%	0.185	C	C	.	.			trans	58.9	38.2	-173.5	-63.6	-34.7	0	0	0	113.4	F313 P442 L466 K475 V476	F313-N468 HydrophobicContact CE1-CB 4.08Å; P442-N468 HydrophobicContact CB-CB 4.08Å; P442-N468 HydrophobicContact CG-CB 4.48Å; P442-N468 PolarHBondContact O-ND2 3.47Å; L466-N468 VanDerWaalsContact C-N 3.34Å; L466-N468 PolarHBondContact O-N 2.8Å; N468-K475 WeakPolarHBondContact OD1-CA 3.25Å; N468-K475 WeakPolarHBondContact OD1-CB 3.48Å; N468-V476 PolarHBondContact ND2-O 2.89Å; N468-V476 PolarHBondContact OD1-N 3.49Å; N468-V476 PolarHBondContact OD1-O 3.09Å
469	N	95.6	Very high	96.9	Very high	49 Å²	49	40.2 Å²	40.2	26%	0.262	19%	0.185	S	C	.	.			trans	-65.1	159.2	176.3	-60.5	-76	0	0	0	110.9	L441 F467 T471 D472 K475	L441-N469 VanDerWaalsContact CD1-OD1 3.32Å; L441-N469 WeakPolarHBondContact CD1-OD1 3.31Å; F467-N469 VanDerWaalsContact C-N 3.31Å; F467-N469 PolarHBondContact O-N 3.07Å; N469-T471 PolarHBondContact O-N 3.27Å; N469-D472 VanDerWaalsContact CB-OD2 3.25Å; N469-D472 WeakPolarHBondContact CB-OD2 3.5Å; N469-D472 PolarHBondContact N-OD2 3.04Å; N469-D472 PolarHBondContact ND2-OD2 3.26Å; N469-D472 WeakPolarHBondContact O-CB 3.4Å; N469-D472 PolarHBondContact O-N 3.38Å; N469-K475 PolarHBondContact O-NZ 2.79Å
470	R	93.5	Very high	96.9	Very high	142 Å²	142	37.4 Å²	37.4	54%	0.536	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-38.9	174.8	-71.4	-169.3	-175.2	-160.9	-4.1	113.1	G315 D318 D472	G315-R470 PolarHBondContact O-NH2 2.96Å; D318-R470 VanDerWaalsContact OD2-CA 3.26Å; D318-R470 WeakPolarHBondContact OD2-CA 3.45Å; D318-R470 WeakPolarHBondContact OD2-CB 3.19Å; D318-R470 VanDerWaalsContact OD2-CG 3.25Å; D318-R470 WeakPolarHBondContact OD2-CG 3.46Å; R470-D472 VanDerWaalsContact C-N 3.31Å; R470-D472 PolarHBondContact O-N 2.68Å
471	T	94.1	Very high	96.7	Very high	85 Å²	85	40.6 Å²	40.6	52%	0.521	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.2	179.4	51	0	0	0	0	114	R355 N469 R473	R355-T471 WeakPolarHBondContact CD-O 3.49Å; N469-T471 PolarHBondContact O-N 3.27Å; T471-R473 PolarHBondContact O-N 3.13Å
472	D	96.4	Very high	96.4	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.032	22%	0.217	C	C	.	.			trans	-73.4	127.6	179.4	-65.4	-35.9	0	0	0	110.1	N351 R355 N469 R470 K475	N351-D472 PolarHBondContact ND2-OD1 3.19Å; N351-D472 WeakPolarHBondContact OD1-CA 3.39Å; R355-D472 IonicContact NH1-OD1 2.75Å; N469-D472 VanDerWaalsContact CB-OD2 3.25Å; N469-D472 WeakPolarHBondContact CB-OD2 3.5Å; N469-D472 PolarHBondContact N-OD2 3.04Å; N469-D472 PolarHBondContact ND2-OD2 3.26Å; N469-D472 WeakPolarHBondContact O-CB 3.4Å; N469-D472 PolarHBondContact O-N 3.38Å; R470-D472 VanDerWaalsContact C-N 3.31Å; R470-D472 PolarHBondContact O-N 2.68Å; D472-K475 VanDerWaalsContact O-CE 3.25Å; D472-K475 WeakPolarHBondContact O-CE 3.47Å; D472-K475 PolarHBondContact O-NZ 3.4Å
473	R	97.4	Very high	96.2	Very high	70 Å²	70	44.8 Å²	44.8	26%	0.264	21%	0.206	S	C	.	.	S	Bend	trans	-85.8	-18.4	172.5	-68.4	-56.3	-162.8	-152.2	2.9	112.5	N351 L354 R355 S359 T362 V363 T471	N351-R473 PolarHBondContact OD1-N 3.03Å; L354-R473 HydrophobicContact CB-CB 3.66Å; L354-R473 HydrophobicContact CB-CG 4.01Å; L354-R473 HydrophobicContact CD1-CB 3.99Å; L354-R473 HydrophobicContact CG-CB 4.5Å; R355-R473 HydrophobicContact CG-CG 3.95Å; S359-R473 PolarHBondContact O-NE 3.31Å; S359-R473 PolarHBondContact O-NH2 3.42Å; S359-R473 VanDerWaalsContact O-NH2 3.14Å; T362-R473 CarbonylContact C-O 3.56Å; T362-R473 WeakPolarHBondContact CA-O 3.35Å; V363-R473 PolarHBondContact N-O 2.9Å; T471-R473 PolarHBondContact O-N 3.13Å
474	V	98.3	Very high	95.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.4	171	-178.1	0	0	0	0	108.9	L347 L350 N351 L354 V363 V365	L347-V474 HydrophobicContact CB-CG1 4.22Å; L347-V474 HydrophobicContact CD2-CG1 4.05Å; L350-V474 HydrophobicContact CB-CG2 4.35Å; L350-V474 HydrophobicContact CD2-CG2 4.01Å; L350-V474 HydrophobicContact CG-CG2 3.99Å; N351-V474 HydrophobicContact CB-CB 4Å; N351-V474 HydrophobicContact CB-CG2 3.84Å; N351-V474 PolarHBondContact OD1-N 3.1Å; N351-V474 VanDerWaalsContact OD1-N 3.12Å; L354-V474 HydrophobicContact CD1-CG2 4.1Å; V363-V474 HydrophobicContact CB-CG2 4.34Å; V363-V474 CarbonylContact O-C 3.53Å; V363-V474 WeakPolarHBondContact O-CA 3.31Å; V365-V474 HydrophobicContact CG2-CG1 3.98Å
475	K	98.3	Very high	95.6	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.013	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144.8	175	-44.4	-60.4	-168.2	-173.9	0	109.3	F313 T362 V363 V364 V365 N468 N469 D472	F313-K475 HydrophobicContact CE1-CB 3.95Å; F313-K475 HydrophobicContact CE1-CD 4.03Å; F313-K475 HydrophobicContact CE1-CG 3.87Å; F313-K475 HydrophobicContact CZ-CB 3.65Å; F313-K475 HydrophobicContact CZ-CG 4.02Å; T362-K475 HydrophobicContact CG2-CG 4.16Å; V363-K475 PolarHBondContact O-N 3.39Å; V364-K475 WeakPolarHBondContact CA-O 3.4Å; V364-K475 HydrophobicContact CG2-CB 4.11Å; V364-K475 HydrophobicContact CG2-CG 4.17Å; V365-K475 PolarHBondContact N-O 3.23Å; N468-K475 WeakPolarHBondContact OD1-CA 3.25Å; N468-K475 WeakPolarHBondContact OD1-CB 3.48Å; N469-K475 PolarHBondContact O-NZ 2.79Å; D472-K475 VanDerWaalsContact O-CE 3.25Å; D472-K475 WeakPolarHBondContact O-CE 3.47Å; D472-K475 PolarHBondContact O-NZ 3.4Å
476	V	98.3	Very high	95.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	137	-176.5	-178.9	0	0	0	0	110.6	L347 F367 I461 L466 N468	L347-V476 HydrophobicContact CD1-CG2 4.38Å; F367-V476 HydrophobicContact CD2-CG1 3.79Å; F367-V476 HydrophobicContact CE2-CG1 3.68Å; I461-V476 HydrophobicContact CD1-CG1 3.8Å; I461-V476 HydrophobicContact CG1-CG1 4.45Å; L466-V476 HydrophobicContact CB-CG2 4.44Å; L466-V476 HydrophobicContact CD1-CG2 4.15Å; N468-V476 PolarHBondContact ND2-O 2.89Å; N468-V476 PolarHBondContact OD1-N 3.49Å; N468-V476 PolarHBondContact OD1-O 3.09Å
477	I	98.4	Very high	95.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	108.5	177.3	-50.3	178.3	0	0	0	108.8	F308 F313 V364 V365 F366 F367 V444 T446	F308-I477 HydrophobicContact CE1-CD1 3.79Å; F308-I477 HydrophobicContact CE1-CG2 4.39Å; F308-I477 HydrophobicContact CZ-CG2 4.39Å; F313-I477 HydrophobicContact CE2-CD1 3.88Å; F313-I477 HydrophobicContact CE2-CG1 4.41Å; F313-I477 HydrophobicContact CZ-CD1 4.46Å; V364-I477 HydrophobicContact CG1-CD1 3.71Å; V364-I477 HydrophobicContact CG1-CG1 4.25Å; V365-I477 PolarHBondContact O-N 2.99Å; F366-I477 CarbonylContact C-O 3.5Å; F366-I477 WeakPolarHBondContact CA-O 3.21Å; F366-I477 HydrophobicContact CD1-CB 4.19Å; F366-I477 HydrophobicContact CD1-CD1 4.39Å; F366-I477 HydrophobicContact CD1-CG2 4.34Å; F366-I477 HydrophobicContact CE1-CB 4.42Å; F366-I477 HydrophobicContact CE1-CD1 3.82Å; F366-I477 HydrophobicContact CE1-CG2 4.44Å; F366-I477 HydrophobicContact CZ-CD1 3.97Å; F367-I477 PolarHBondContact N-O 3.39Å; V444-I477 CarbonylContact O-C 3.59Å; V444-I477 WeakPolarHBondContact O-CA 3.47Å; T446-I477 HydrophobicContact CG2-CG2 3.7Å
478	L	98.1	Very high	94.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116.8	167.6	179.7	59.7	0	0	0	108.9	F367 V444 T445 T446 I457 L458 P480	F367-L478 HydrophobicContact CB-CD1 3.66Å; V444-L478 WeakPolarHBondContact O-CB 3.35Å; V444-L478 PolarHBondContact O-N 2.95Å; T445-L478 CarbonylContact C-O 3.49Å; T445-L478 VanDerWaalsContact CA-O 3.31Å; T445-L478 WeakPolarHBondContact CA-O 3.38Å; T446-L478 PolarHBondContact N-O 3.24Å; I457-L478 HydrophobicContact CB-CD2 4.39Å; I457-L478 HydrophobicContact CD1-CD1 4.03Å; I457-L478 HydrophobicContact CG2-CD1 4.24Å; I457-L478 HydrophobicContact CG2-CD2 4.01Å; L458-L478 HydrophobicContact CD1-CD2 4.45Å; L458-L478 HydrophobicContact CD2-CD2 3.94Å; L458-L478 HydrophobicContact CG-CD2 3.91Å; L478-P480 VanDerWaalsContact O-CD 3.26Å; L478-P480 WeakPolarHBondContact O-CD 3.41Å
479	H	97.4	Very high	94.4	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.019	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	89.6	172.4	-173.4	73.4	0	0	0	108.7	F367 I368 M369 T446 H447 E481	F367-H479 CarbonylContact O-C 3.52Å; F367-H479 PolarHBondContact O-N 3.48Å; I368-H479 HydrophobicContact CD1-CB 3.69Å; M369-H479 PolarHBondContact N-O 2.93Å; T446-H479 PolarHBondContact OG1-ND1 3.17Å; H447-H479 AromaticContact CE1-CE1 3.64Å; H447-H479 AromaticContact CE1-ND1 3.82Å; H479-E481 PolarHBondContact CD2-O 3.47Å; H479-E481 VanDerWaalsContact CD2-O 3.28Å; H479-E481 PolarHBondContact O-N 2.97Å
480	P	96.3	Very high	94.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	22%	0.221	C	C	.	.			trans	-80.5	38.1	-171.4	33	-39.7	0	0	0	114.3	M369 P370 A371 T373 H447 M449 L478	M369-P480 VanDerWaalsContact O-CA 3.23Å; M369-P480 WeakPolarHBondContact O-CA 3.29Å; P370-P480 WeakPolarHBondContact CA-O 3.29Å; A371-P480 HydrophobicContact CB-CB 3.73Å; A371-P480 PolarHBondContact N-O 3Å; T373-P480 HydrophobicContact CG2-CB 3.9Å; T373-P480 HydrophobicContact CG2-CG 3.58Å; H447-P480 HydrophobicContact CB-CG 3.65Å; H447-P480 VanDerWaalsContact ND1-CD 3.31Å; H447-P480 WeakPolarHBondContact ND1-CD 3.43Å; H447-P480 WeakPolarHBondContact ND1-CG 3.28Å; M449-P480 HydrophobicContact CE-CB 4.38Å; M449-P480 HydrophobicContact SD-CB 3.77Å; M449-P480 HydrophobicContact SD-CG 3.64Å; L478-P480 VanDerWaalsContact O-CD 3.26Å; L478-P480 WeakPolarHBondContact O-CD 3.41Å
481	E	93.5	Very high	94.2	Very high	81 Å²	81	39 Å²	39	38%	0.379	22%	0.217	S	C	.	.	S	Bend	trans	-142	160.1	178.7	-163.9	176.9	-169.6	0	0	109.8	H447 H479	H447-E481 IonicContact CE1-OE2 3.25Å; H447-E481 IonicContact NE2-OE2 3.56Å; H447-E481 PolarHBondContact NE2-OE2 3.13Å; H447-E481 VanDerWaalsContact NE2-OE2 3.11Å; H479-E481 PolarHBondContact CD2-O 3.47Å; H479-E481 VanDerWaalsContact CD2-O 3.28Å; H479-E481 PolarHBondContact O-N 2.97Å
482	F	91.5	Very high	94.2	Very high	159 Å²	159	34.9 Å²	34.9	70%	0.697	19%	0.193	S	C	*	.			trans	-67.8	139.8	167.7	-70	-69.8	0	0	0	110.4	P370	P370-F482 HydrophobicContact CB-CD2 4.29Å; P370-F482 HydrophobicContact CB-CE2 4.06Å; P370-F482 HydrophobicContact CB-CZ 4.27Å; P370-F482 HydrophobicContact CG-CD1 3.7Å; P370-F482 HydrophobicContact CG-CD2 3.86Å; P370-F482 HydrophobicContact CG-CE1 3.52Å; P370-F482 HydrophobicContact CG-CE2 3.69Å; P370-F482 HydrophobicContact CG-CG 3.88Å; P370-F482 HydrophobicContact CG-CZ 3.53Å
483	L	93.1	Very high	94.1	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.099	21%	0.208	C	C	.	.			trans	-68	138.2	175.2	-65.8	172.7	0	0	0	110.7	I368 L490 Y494 F497	I368-L483 HydrophobicContact CD1-CD1 4.35Å; I368-L483 HydrophobicContact CD1-CD2 4.26Å; I368-L483 HydrophobicContact CD1-CG 4.47Å; I368-L483 HydrophobicContact CG1-CD1 4.29Å; I368-L483 HydrophobicContact CG2-CD1 4.22Å; I368-L483 HydrophobicContact CG2-CG 4Å; L483-L490 HydrophobicContact CD2-CD2 3.74Å; L483-L490 HydrophobicContact CD2-CG 4.45Å; L483-Y494 HydrophobicContact CD1-CD2 4.43Å; L483-F497 HydrophobicContact CD1-CB 3.51Å; L483-F497 HydrophobicContact CD1-CD1 3.48Å; L483-F497 VanDerWaalsContact CD1-CD1 3.48Å; L483-F497 HydrophobicContact CD1-CD2 4.17Å; L483-F497 HydrophobicContact CD1-CE1 4.25Å; L483-F497 HydrophobicContact CD1-CG 3.43Å; L483-F497 VanDerWaalsContact CD1-CG 3.43Å
484	S	91.5	Very high	93.8	Very high	38 Å²	38	37.3 Å²	37.3	27%	0.266	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-146.4	137.9	176.7	176.6	0	0	0	0	110.1	T486 S487 L492	S484-T486 PolarHBondContact O-N 3.27Å; S484-T486 VanDerWaalsContact O-N 3.08Å; S484-T486 PolarHBondContact OG-N 2.96Å; S484-T486 PolarHBondContact OG-OG1 3.33Å; S484-S487 VanDerWaalsContact O-CB 3.23Å; S484-S487 WeakPolarHBondContact O-CB 3.47Å; S484-S487 PolarHBondContact O-N 3.36Å; S484-L492 CarbonylContact C-O 3.51Å; S484-L492 PolarHBondContact N-O 3.29Å
485	S	90.2	Very high	93.5	Very high	56 Å²	56	42.1 Å²	42.1	39%	0.392	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-21.7	169.4	49.5	0	0	0	0	113.7	P491 D493	S485-P491 WeakPolarHBondContact O-CB 3.35Å; S485-D493 WeakPolarHBondContact CB-OD1 3.43Å; S485-D493 PolarHBondContact N-OD1 3.47Å; S485-D493 PolarHBondContact OG-OD1 3.39Å; S485-D493 PolarHBondContact OG-OD2 3.45Å
486	T	91	Very high	93.4	Very high	123 Å²	123	43.6 Å²	43.6	76%	0.755	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-7.8	176.1	65	0	0	0	0	114.5	S484	S484-T486 PolarHBondContact O-N 3.27Å; S484-T486 VanDerWaalsContact O-N 3.08Å; S484-T486 PolarHBondContact OG-N 2.96Å; S484-T486 PolarHBondContact OG-OG1 3.33Å
487	S	90.5	Very high	93.3	Very high	13 Å²	13	43.6 Å²	43.6	9%	0.091	24%	0.236	C	C	.	.			trans	-65	132.7	-178.5	-178.4	0	0	0	0	111.4	S484 L489	S484-S487 VanDerWaalsContact O-CB 3.23Å; S484-S487 WeakPolarHBondContact O-CB 3.47Å; S484-S487 PolarHBondContact O-N 3.36Å; S487-L489 PolarHBondContact O-N 3.33Å; S487-L489 PolarHBondContact OG-N 3Å
488	P	88.8	Confident	93.2	Very high	83 Å²	83	43.6 Å²	43.6	54%	0.539	24%	0.236	S	C	.	.	S	Bend	trans	-71.4	-15.6	178	30	-35.7	0	0	0	113.2	F376 L381	F376-P488 HydrophobicContact CD2-CG 4.1Å; F376-P488 HydrophobicContact CE2-CG 3.44Å; F376-P488 VanDerWaalsContact CE2-CG 3.44Å; F376-P488 HydrophobicContact CZ-CG 3.74Å; L381-P488 HydrophobicContact CD2-CG 4.43Å
489	L	90	Very high	93.1	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	24%	0.243	C	C	.	.	S	Bend	trans	-91.3	-58.4	-179.1	-69	-173.2	0	0	0	111.9	F308 F376 T380 L381 Q384 S487	F308-L489 WeakPolarHBondContact CD2-O 3.44Å; F308-L489 HydrophobicContact CE2-CB 4.34Å; F376-L489 HydrophobicContact CB-CD1 4.34Å; F376-L489 HydrophobicContact CD1-CD1 3.29Å; F376-L489 HydrophobicContact CD1-CG 3.84Å; F376-L489 HydrophobicContact CE1-CD1 3.82Å; F376-L489 HydrophobicContact CE1-CG 4.1Å; F376-L489 HydrophobicContact CG-CD1 4.02Å; F376-L489 HydrophobicContact CG-CG 4.32Å; T380-L489 HydrophobicContact CG2-CD1 3.75Å; T380-L489 HydrophobicContact CG2-CD2 3.74Å; T380-L489 HydrophobicContact CG2-CG 4.36Å; L381-L489 HydrophobicContact CD2-CD2 3.61Å; L381-L489 HydrophobicContact CD2-CG 4.32Å; L381-L489 HydrophobicContact CG-CD2 4.14Å; Q384-L489 HydrophobicContact CG-CD2 4.01Å; S487-L489 PolarHBondContact O-N 3.33Å; S487-L489 PolarHBondContact OG-N 3Å
490	L	91.4	Very high	93.1	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	24%	0.242	C	C	.	.			trans	-130.1	85.8	-176	-175.2	62.1	0	0	0	107.9	F308 L483 L492 F497	F308-L490 HydrophobicContact CB-CD1 3.69Å; F308-L490 HydrophobicContact CD1-CD1 4.49Å; F308-L490 HydrophobicContact CD2-CB 4.27Å; F308-L490 HydrophobicContact CD2-CD1 4.39Å; F308-L490 HydrophobicContact CG-CD1 3.94Å; L483-L490 HydrophobicContact CD2-CD2 3.74Å; L483-L490 HydrophobicContact CD2-CG 4.45Å; L490-L492 HydrophobicContact CD1-CD1 3.71Å; L490-L492 HydrophobicContact CD1-CG 4.21Å; L490-L492 HydrophobicContact CG-CB 4.44Å; L490-L492 HydrophobicContact CG-CD1 4.15Å; L490-L492 HydrophobicContact CG-CG 4.39Å; L490-L492 PolarHBondContact O-N 3.27Å; L490-F497 HydrophobicContact CD2-CD2 3.89Å; L490-F497 HydrophobicContact CD2-CE2 4.12Å
491	P	92.8	Very high	93.2	Very high	71 Å²	71	45.2 Å²	45.2	46%	0.461	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-77	69.4	-176.6	32.2	-35.8	0	0	0	110.1	S485	S485-P491 WeakPolarHBondContact O-CB 3.35Å
492	L	94.4	Very high	93.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.			trans	-135.9	136.3	176.8	-65.6	175.2	0	0	0	108.4	Y301 R304 I305 S484 L490 E496 F497	Y301-L492 HydrophobicContact CD1-CD2 3.85Å; Y301-L492 HydrophobicContact CE1-CD2 4.32Å; R304-L492 HydrophobicContact CB-CD1 4.38Å; R304-L492 HydrophobicContact CB-CD2 4.04Å; R304-L492 VanDerWaalsContact CD-CD2 3.5Å; R304-L492 HydrophobicContact CG-CD2 4.44Å; I305-L492 HydrophobicContact CG1-CD1 3.72Å; S484-L492 CarbonylContact C-O 3.51Å; S484-L492 PolarHBondContact N-O 3.29Å; L490-L492 HydrophobicContact CD1-CD1 3.71Å; L490-L492 HydrophobicContact CD1-CG 4.21Å; L490-L492 HydrophobicContact CG-CB 4.44Å; L490-L492 HydrophobicContact CG-CD1 4.15Å; L490-L492 HydrophobicContact CG-CG 4.39Å; L490-L492 PolarHBondContact O-N 3.27Å; L492-E496 WeakPolarHBondContact CA-OE2 3.38Å; L492-E496 HydrophobicContact CB-CB 4.25Å; L492-E496 HydrophobicContact CD2-CB 4Å; L492-F497 HydrophobicContact CB-CB 4.31Å; L492-F497 HydrophobicContact CD1-CB 4.33Å; L492-F497 HydrophobicContact CD1-CD2 4.45Å
493	D	94.2	Very high	93.7	Very high	68 Å²	68	34 Å²	34	36%	0.364	19%	0.191	S	C	.	.			trans	-73.2	160.9	163.2	-65.3	-38.4	0	0	0	110	S485 E495 E496 F497	S485-D493 WeakPolarHBondContact CB-OD1 3.43Å; S485-D493 PolarHBondContact N-OD1 3.47Å; S485-D493 PolarHBondContact OG-OD1 3.39Å; S485-D493 PolarHBondContact OG-OD2 3.45Å; D493-E495 VanDerWaalsContact C-N 3.32Å; D493-E495 PolarHBondContact O-N 2.95Å; D493-E496 HydrophobicContact CB-CG 4.29Å; D493-E496 PolarHBondContact N-OE2 2.89Å; D493-E496 VanDerWaalsContact N-OE2 3.1Å; D493-E496 WeakPolarHBondContact O-CB 3.38Å; D493-E496 PolarHBondContact O-N 3.15Å; D493-F497 PolarHBondContact O-N 3.37Å
494	Y	92.5	Very high	94	Very high	58 Å²	58	33 Å²	33	23%	0.227	19%	0.187	C	C	.	.	H	α-helix	trans	-54	-45.8	-174.3	166.6	-100.4	0	0	0	112.9	A330 L483 E496 F497 V498 T516 E519	A330-Y494 HydrophobicContact CB-CE2 3.93Å; L483-Y494 HydrophobicContact CD1-CD2 4.43Å; Y494-E496 VanDerWaalsContact C-N 3.31Å; Y494-E496 PolarHBondContact O-N 3.18Å; Y494-F497 WeakPolarHBondContact O-CB 3.36Å; Y494-F497 PolarHBondContact O-N 3.48Å; Y494-V498 HydrophobicContact CD1-CG2 4.45Å; Y494-V498 HydrophobicContact CD2-CG2 4.13Å; Y494-V498 HydrophobicContact CE1-CG2 4.03Å; Y494-V498 HydrophobicContact CE2-CG2 3.68Å; Y494-V498 WeakPolarHBondContact O-CG2 3.28Å; Y494-V498 PolarHBondContact O-N 3.31Å; Y494-T516 VanDerWaalsContact OH-CG2 3.25Å; Y494-T516 WeakPolarHBondContact OH-CG2 3.38Å; Y494-E519 WeakPolarHBondContact CE1-OE2 3.46Å; Y494-E519 PolarHBondContact OH-OE2 3.2Å
495	E	91.9	Very high	94.3	Very high	102 Å²	102	31.2 Å²	31.2	48%	0.477	17%	0.174	S	C	.	.	H	α-helix	trans	-66.1	-34.2	179.9	-48.2	-171.7	179.5	0	0	113.2	D493 F497 R499 M523	D493-E495 VanDerWaalsContact C-N 3.32Å; D493-E495 PolarHBondContact O-N 2.95Å; E495-F497 VanDerWaalsContact C-N 3.35Å; E495-R499 VanDerWaalsContact O-CG 3.31Å; E495-R499 WeakPolarHBondContact O-CG 3.44Å; E495-R499 PolarHBondContact O-N 3.15Å; E495-R499 VanDerWaalsContact O-N 3.09Å; E495-R499 IonicContact OE2-CZ 2.89Å; E495-R499 IonicContact OE2-NH1 3.16Å; E495-R499 PolarHBondContact OE2-NH1 2.99Å; E495-R499 IonicContact OE2-NH2 3.27Å; E495-R499 PolarHBondContact OE2-NH2 2.93Å; E495-M523 HydrophobicContact CB-CE 3.54Å; E495-M523 HydrophobicContact CB-SD 4.09Å; E495-M523 HydrophobicContact CG-CE 3.65Å
496	E	95	Very high	94.7	Very high	33 Å²	33	28.9 Å²	28.9	15%	0.154	16%	0.157	C	C	.	.	H	α-helix	trans	-65.5	-43.1	176.5	-58.7	-168.5	124.9	0	0	110.4	Y301 R304 L492 D493 Y494 R499 G500	Y301-E496 WeakPolarHBondContact CB-O 3.25Å; Y301-E496 HydrophobicContact CD1-CB 3.7Å; Y301-E496 HydrophobicContact CD1-CG 4.33Å; Y301-E496 HydrophobicContact CD2-CB 4.37Å; Y301-E496 HydrophobicContact CE1-CB 3.5Å; Y301-E496 VanDerWaalsContact CE1-CB 3.5Å; Y301-E496 VanDerWaalsContact CE1-CD 3.42Å; Y301-E496 HydrophobicContact CE1-CG 3.6Å; Y301-E496 WeakPolarHBondContact CE1-OE1 3.31Å; Y301-E496 HydrophobicContact CE2-CB 4.19Å; Y301-E496 HydrophobicContact CE2-CG 4.25Å; Y301-E496 HydrophobicContact CG-CB 4.14Å; Y301-E496 VanDerWaalsContact CZ-OE1 3.3Å; Y301-E496 WeakPolarHBondContact OH-CG 3.49Å; Y301-E496 PolarHBondContact OH-OE1 2.91Å; R304-E496 IonicContact NH1-OE1 2.66Å; R304-E496 IonicContact NH1-OE2 3.24Å; L492-E496 WeakPolarHBondContact CA-OE2 3.38Å; L492-E496 HydrophobicContact CB-CB 4.25Å; L492-E496 HydrophobicContact CD2-CB 4Å; D493-E496 HydrophobicContact CB-CG 4.29Å; D493-E496 PolarHBondContact N-OE2 2.89Å; D493-E496 VanDerWaalsContact N-OE2 3.1Å; D493-E496 WeakPolarHBondContact O-CB 3.38Å; D493-E496 PolarHBondContact O-N 3.15Å; Y494-E496 VanDerWaalsContact C-N 3.31Å; Y494-E496 PolarHBondContact O-N 3.18Å; E496-R499 PolarHBondContact O-N 2.93Å; E496-G500 PolarHBondContact O-N 3.35Å; E496-G500 VanDerWaalsContact O-N 3.14Å
497	F	97.5	Very high	95	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.8	-46.2	175.9	172.3	-97.5	0	0	0	112.4	I305 F328 F366 I368 L483 L490 L492 D493 Y494 E495 R499 G500 C501	I305-F497 HydrophobicContact CD1-CD2 3.82Å; I305-F497 HydrophobicContact CD1-CE2 4.06Å; I305-F497 HydrophobicContact CG1-CD2 4.15Å; I305-F497 HydrophobicContact CG1-CE2 4.47Å; F328-F497 HydrophobicContact CB-CE1 3.81Å; F328-F497 HydrophobicContact CB-CZ 4.03Å; F328-F497 HydrophobicContact CD1-CE1 4.47Å; F328-F497 AromaticContact CD2-CE1 3.98Å; F328-F497 HydrophobicContact CD2-CE1 3.98Å; F328-F497 AromaticContact CG-CE1 3.84Å; F328-F497 HydrophobicContact CG-CE1 3.84Å; F328-F497 HydrophobicContact CG-CZ 4.48Å; F366-F497 HydrophobicContact CB-CE2 4.46Å; F366-F497 HydrophobicContact CB-CZ 3.66Å; F366-F497 HydrophobicContact CD1-CE2 4.04Å; F366-F497 HydrophobicContact CD1-CZ 4.08Å; F366-F497 HydrophobicContact CD2-CE2 4.13Å; F366-F497 AromaticContact CD2-CZ 3.9Å; F366-F497 HydrophobicContact CD2-CZ 3.9Å; F366-F497 HydrophobicContact CE1-CE2 4.26Å; F366-F497 HydrophobicContact CE2-CE2 4.37Å; F366-F497 AromaticContact CG-CE2 3.96Å; F366-F497 HydrophobicContact CG-CE2 3.96Å; F366-F497 AromaticContact CG-CZ 3.63Å; F366-F497 HydrophobicContact CG-CZ 3.63Å; F366-F497 HydrophobicContact CZ-CE2 4.43Å; I368-F497 HydrophobicContact CD1-CE1 4.32Å; I368-F497 HydrophobicContact CD1-CZ 4.23Å; I368-F497 HydrophobicContact CG1-CE1 3.95Å; I368-F497 HydrophobicContact CG1-CZ 4.31Å; L483-F497 HydrophobicContact CD1-CB 3.51Å; L483-F497 HydrophobicContact CD1-CD1 3.48Å; L483-F497 VanDerWaalsContact CD1-CD1 3.48Å; L483-F497 HydrophobicContact CD1-CD2 4.17Å; L483-F497 HydrophobicContact CD1-CE1 4.25Å; L483-F497 HydrophobicContact CD1-CG 3.43Å; L483-F497 VanDerWaalsContact CD1-CG 3.43Å; L490-F497 HydrophobicContact CD2-CD2 3.89Å; L490-F497 HydrophobicContact CD2-CE2 4.12Å; L492-F497 HydrophobicContact CB-CB 4.31Å; L492-F497 HydrophobicContact CD1-CB 4.33Å; L492-F497 HydrophobicContact CD1-CD2 4.45Å; D493-F497 PolarHBondContact O-N 3.37Å; Y494-F497 WeakPolarHBondContact O-CB 3.36Å; Y494-F497 PolarHBondContact O-N 3.48Å; E495-F497 VanDerWaalsContact C-N 3.35Å; F497-R499 PolarHBondContact O-N 3.36Å; F497-G500 PolarHBondContact O-N 3.2Å; F497-G500 VanDerWaalsContact O-N 3.14Å; F497-C501 VanDerWaalsContact CZ-SG 3.57Å; F497-C501 PolarHBondContact O-N 3.48Å; F497-C501 PolarHBondContact O-SG 2.83Å
498	V	96.5	Very high	95.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.7	-48.9	177.4	172.1	0	0	0	0	110.3	F328 Y494 G500 C501 M523 I525	F328-V498 HydrophobicContact CE1-CG1 4.36Å; F328-V498 HydrophobicContact CE2-CG2 3.88Å; F328-V498 HydrophobicContact CZ-CB 4.2Å; F328-V498 HydrophobicContact CZ-CG1 3.89Å; F328-V498 HydrophobicContact CZ-CG2 3.67Å; Y494-V498 HydrophobicContact CD1-CG2 4.45Å; Y494-V498 HydrophobicContact CD2-CG2 4.13Å; Y494-V498 HydrophobicContact CE1-CG2 4.03Å; Y494-V498 HydrophobicContact CE2-CG2 3.68Å; Y494-V498 WeakPolarHBondContact O-CG2 3.28Å; Y494-V498 PolarHBondContact O-N 3.31Å; V498-G500 PolarHBondContact O-N 3.46Å; V498-C501 WeakPolarHBondContact O-CB 3.36Å; V498-C501 PolarHBondContact O-N 3.44Å; V498-M523 HydrophobicContact CB-SD 3.8Å; V498-M523 HydrophobicContact CG1-CB 4.48Å; V498-M523 HydrophobicContact CG1-SD 3.63Å; V498-I525 HydrophobicContact CG1-CG1 4.17Å
499	R	95.4	Very high	95.7	Very high	40 Å²	40	20.2 Å²	20.2	15%	0.151	10%	0.098	C	C	.	.	H	α-helix	trans	-57.6	-35.1	177.5	-73.3	176.9	-176.9	103.1	2.3	112.8	H298 Y301 E495 E496 F497 C501 M523	H298-R499 WeakPolarHBondContact CA-O 3.4Å; H298-R499 WeakPolarHBondContact CB-O 3.27Å; H298-R499 PolarHBondContact ND1-O 2.9Å; Y301-R499 HydrophobicContact CD2-CB 3.89Å; E495-R499 VanDerWaalsContact O-CG 3.31Å; E495-R499 WeakPolarHBondContact O-CG 3.44Å; E495-R499 PolarHBondContact O-N 3.15Å; E495-R499 VanDerWaalsContact O-N 3.09Å; E495-R499 IonicContact OE2-CZ 2.89Å; E495-R499 IonicContact OE2-NH1 3.16Å; E495-R499 PolarHBondContact OE2-NH1 2.99Å; E495-R499 IonicContact OE2-NH2 3.27Å; E495-R499 PolarHBondContact OE2-NH2 2.93Å; E496-R499 PolarHBondContact O-N 2.93Å; F497-R499 PolarHBondContact O-N 3.36Å; R499-C501 VanDerWaalsContact C-N 3.31Å; R499-C501 PolarHBondContact O-N 2.92Å; R499-M523 HydrophobicContact CG-CB 4.05Å; R499-M523 HydrophobicContact CG-CG 4.18Å; R499-M523 HydrophobicContact CG-SD 3.93Å
500	G	96.6	Very high	95.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-74.9	-15.9	177	0	0	0	0	0	114.9	E496 F497 V498	E496-G500 PolarHBondContact O-N 3.35Å; E496-G500 VanDerWaalsContact O-N 3.14Å; F497-G500 PolarHBondContact O-N 3.2Å; F497-G500 VanDerWaalsContact O-N 3.14Å; V498-G500 PolarHBondContact O-N 3.46Å
501	C	98.3	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.			trans	-80.7	171	179	-69.6	0	0	0	0	112.6	H298 F326 F328 F497 V498 R499	H298-C501 PolarHBondContact CE1-O 3.18Å; H298-C501 PolarHBondContact ND1-O 3.35Å; F326-C501 HydrophobicContact CB-CB 4.38Å; F328-C501 HydrophobicContact CD1-CB 3.56Å; F328-C501 HydrophobicContact CE1-CB 3.79Å; F497-C501 VanDerWaalsContact CZ-SG 3.57Å; F497-C501 PolarHBondContact O-N 3.48Å; F497-C501 PolarHBondContact O-SG 2.83Å; V498-C501 WeakPolarHBondContact O-CB 3.36Å; V498-C501 PolarHBondContact O-N 3.44Å; R499-C501 VanDerWaalsContact C-N 3.31Å; R499-C501 PolarHBondContact O-N 2.92Å
502	H	98.4	Very high	96.1	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.014	9%	0.085	C	C	.	.	S	Bend	trans	-108.2	-32.6	179.6	-60.4	76.9	0	0	0	112.8	K302 L325 F326 F575	K302-H502 PolarHBondContact NZ-CE1 3.07Å; K302-H502 PolarHBondContact NZ-NE2 2.93Å; L325-H502 HydrophobicContact CD2-CB 4.45Å; F326-H502 AromaticContact CD2-CE1 3.71Å; F326-H502 AromaticContact CD2-ND1 3.82Å; F326-H502 PolarHBondContact N-ND1 3.26Å; F326-H502 PolarHBondContact O-N 2.92Å; H502-F575 HydrophobicContact CB-CE1 4.09Å; H502-F575 HydrophobicContact CB-CZ 4.29Å; H502-F575 WeakPolarHBondContact O-CZ 3.47Å
503	L	98.7	Very high	96.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	126.7	-178.1	-175	69.8	0	0	0	110	F326 F327 F328 V505 P526 V528 Y552 L572 F575	F326-L503 PolarHBondContact O-N 3.13Å; F327-L503 VanDerWaalsContact CA-O 3.28Å; F327-L503 WeakPolarHBondContact CA-O 3.47Å; F327-L503 HydrophobicContact CD1-CB 3.51Å; F327-L503 HydrophobicContact CD1-CD2 4.18Å; F327-L503 HydrophobicContact CD1-CG 4.43Å; F327-L503 HydrophobicContact CD2-CD2 4.41Å; F327-L503 HydrophobicContact CE1-CB 3.69Å; F327-L503 HydrophobicContact CE1-CD2 3.95Å; F327-L503 HydrophobicContact CE1-CG 4.49Å; F327-L503 HydrophobicContact CE2-CD2 4.19Å; F327-L503 HydrophobicContact CG-CB 4.23Å; F327-L503 HydrophobicContact CG-CD2 4.42Å; F327-L503 HydrophobicContact CZ-CD2 3.96Å; F328-L503 PolarHBondContact N-O 3.43Å; F328-L503 VanDerWaalsContact N-O 3.16Å; L503-V505 HydrophobicContact CD2-CG2 3.89Å; L503-V505 HydrophobicContact CG-CG2 3.95Å; L503-P526 WeakPolarHBondContact CA-O 3.25Å; L503-P526 HydrophobicContact CD1-CB 3.84Å; L503-V528 HydrophobicContact CD1-CG2 4.16Å; L503-V528 HydrophobicContact CD2-CG2 4.1Å; L503-V528 HydrophobicContact CG-CG2 4.3Å; L503-Y552 HydrophobicContact CD1-CD2 4.27Å; L503-Y552 HydrophobicContact CD1-CE2 4.15Å; L503-L572 HydrophobicContact CD2-CD2 3.64Å; L503-F575 HydrophobicContact CB-CE1 4.18Å; L503-F575 HydrophobicContact CB-CZ 4.18Å; L503-F575 HydrophobicContact CD1-CD2 4.23Å; L503-F575 HydrophobicContact CD1-CE2 4.15Å; L503-F575 HydrophobicContact CD2-CD1 4.33Å; L503-F575 HydrophobicContact CD2-CD2 4.47Å; L503-F575 HydrophobicContact CD2-CG 4.18Å
504	G	98.6	Very high	96	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	136.5	164.9	0	0	0	0	0	110.5	P526 S527 V528	G504-P526 PolarHBondContact N-O 3.2Å; G504-S527 CarbonylContact O-C 3.56Å; G504-S527 WeakPolarHBondContact O-CA 3.31Å; G504-V528 PolarHBondContact O-N 2.87Å
505	V	98.7	Very high	96	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	103.4	-176.9	-173.6	0	0	0	0	109.4	F327 F328 I329 F343 L503 P507 V528 L568 L572	F327-V505 HydrophobicContact CB-CG2 4.38Å; F328-V505 PolarHBondContact O-N 2.6Å; I329-V505 WeakPolarHBondContact CB-O 3.37Å; I329-V505 VanDerWaalsContact CG1-O 3.29Å; I329-V505 WeakPolarHBondContact CG1-O 3.48Å; F343-V505 HydrophobicContact CD2-CB 4.29Å; F343-V505 HydrophobicContact CD2-CG1 3.56Å; F343-V505 HydrophobicContact CE1-CB 4.13Å; F343-V505 HydrophobicContact CE1-CG1 4.4Å; F343-V505 HydrophobicContact CE2-CB 3.77Å; F343-V505 HydrophobicContact CE2-CG1 3.44Å; F343-V505 VanDerWaalsContact CE2-CG1 3.44Å; F343-V505 HydrophobicContact CE2-CG2 4Å; F343-V505 HydrophobicContact CG-CG1 4.12Å; F343-V505 HydrophobicContact CZ-CB 3.67Å; F343-V505 HydrophobicContact CZ-CG1 3.88Å; F343-V505 HydrophobicContact CZ-CG2 3.93Å; L503-V505 HydrophobicContact CD2-CG2 3.89Å; L503-V505 HydrophobicContact CG-CG2 3.95Å; V505-P507 VanDerWaalsContact C-CD 3.45Å; V505-P507 WeakPolarHBondContact O-CD 3.37Å; V505-V528 HydrophobicContact CG1-CB 4.22Å; V505-V528 HydrophobicContact CG1-CG2 4.44Å; V505-V528 HydrophobicContact CG2-CG2 4.27Å; V505-L568 HydrophobicContact CG1-CD1 3.99Å; V505-L572 HydrophobicContact CG1-CD2 4.44Å; V505-L572 HydrophobicContact CG2-CD2 3.84Å
506	F	98.2	Very high	96	Very high	7 Å²	7	10.6 Å²	10.6	3%	0.031	5%	0.048	C	C	.	.			trans	-124.8	69.6	-173.2	-42.7	-70.8	0	0	0	110.7	F328 I329 S508 T516 P517 C520 V528 T529	F328-F506 HydrophobicContact CD2-CE1 4.41Å; F328-F506 HydrophobicContact CD2-CZ 4.41Å; F328-F506 HydrophobicContact CE2-CE1 4.01Å; F328-F506 AromaticContact CE2-CZ 3.7Å; F328-F506 HydrophobicContact CE2-CZ 3.7Å; F328-F506 AromaticContact CZ-CZ 3.83Å; F328-F506 HydrophobicContact CZ-CZ 3.83Å; I329-F506 HydrophobicContact CG1-CD1 4.26Å; F506-S508 PolarHBondContact O-N 2.88Å; F506-T516 HydrophobicContact CD1-CG2 3.79Å; F506-T516 HydrophobicContact CE1-CG2 3.17Å; F506-T516 HydrophobicContact CE2-CG2 4.22Å; F506-T516 HydrophobicContact CZ-CG2 3.41Å; F506-T516 VanDerWaalsContact CZ-CG2 3.41Å; F506-P517 HydrophobicContact CD2-CB 3.72Å; F506-P517 HydrophobicContact CD2-CG 4.17Å; F506-P517 HydrophobicContact CE2-CB 4.1Å; F506-C520 VanDerWaalsContact CE2-SG 3.59Å; F506-V528 CarbonylContact C-O 3.04Å; F506-V528 WeakPolarHBondContact CA-O 3.45Å; F506-V528 PolarHBondContact N-O 3.44Å; F506-T529 WeakPolarHBondContact O-CA 3.4Å
507	P	97.6	Very high	96.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.041	C	C	.	.			trans	-80.2	49.7	-175.3	35	-34.9	0	0	0	111.9	G339 M342 F343 V505 T530 R556 L568	G339-P507 WeakPolarHBondContact O-CG 3.46Å; M342-P507 HydrophobicContact CE-CB 3.43Å; M342-P507 VanDerWaalsContact CE-CB 3.43Å; M342-P507 HydrophobicContact CE-CG 4.29Å; F343-P507 HydrophobicContact CB-CG 3.99Å; V505-P507 VanDerWaalsContact C-CD 3.45Å; V505-P507 WeakPolarHBondContact O-CD 3.37Å; P507-T530 VanDerWaalsContact CA-CG2 3.41Å; P507-T530 HydrophobicContact CB-CG2 4.26Å; P507-R556 PolarHBondContact O-NH1 2.8Å; P507-L568 HydrophobicContact CB-CD2 4.05Å; P507-L568 HydrophobicContact CG-CD2 4.12Å
508	S	96.5	Very high	95.9	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.014	4%	0.041	C	C	.	.			trans	-59.3	140.9	-172.5	-57.9	0	0	0	0	112.9	N337 F506 E511 T530	N337-S508 CarbonylContact O-C 3.44Å; N337-S508 VanDerWaalsContact O-CA 3.27Å; N337-S508 WeakPolarHBondContact O-CA 3.21Å; N337-S508 WeakPolarHBondContact O-CB 3.39Å; F506-S508 PolarHBondContact O-N 2.88Å; S508-E511 PolarHBondContact OG-OE2 2.98Å; S508-T530 VanDerWaalsContact O-CG2 3.28Å; S508-T530 WeakPolarHBondContact O-CG2 3.32Å; S508-T530 PolarHBondContact O-OG1 3.14Å
509	Y	95.7	Very high	95.6	Very high	34 Å²	34	11.2 Å²	11.2	13%	0.133	5%	0.051	C	C	.	.	S	Bend	trans	-87.6	-42.5	168.2	-175.9	-110	0	0	0	111.2	C215 D220 F221 Y222 N337 L532	C215-Y509 HydrophobicContact CB-CD1 4.29Å; C215-Y509 HydrophobicContact CB-CE1 4.35Å; D220-Y509 PolarHBondContact OD1-OH 2.82Å; F221-Y509 HydrophobicContact CB-CE1 4.29Å; F221-Y509 PolarHBondContact N-OH 2.99Å; Y222-Y509 HydrophobicContact CD2-CE2 4.3Å; Y222-Y509 VanDerWaalsContact CE2-O 3.28Å; Y222-Y509 WeakPolarHBondContact CE2-O 3.5Å; N337-Y509 PolarHBondContact O-N 3Å; Y509-L532 HydrophobicContact CD2-CD1 3.65Å; Y509-L532 HydrophobicContact CE2-CD1 3.85Å; Y509-L532 WeakPolarHBondContact O-CB 3.39Å
510	Y	94.9	Very high	95.6	Very high	4 Å²	4	9.3 Å²	9.3	2%	0.016	4%	0.044	C	C	.	.	S	Bend	trans	-126	102.5	177.9	-173.6	-98.3	0	0	0	110.2	T208 R212 C215 F221 E266 N337 P512	T208-Y510 PolarHBondContact O-OH 2.9Å; R212-Y510 HydrophobicContact CB-CE1 3.79Å; R212-Y510 HydrophobicContact CG-CE1 4.11Å; R212-Y510 PolarHBondContact N-OH 2.85Å; C215-Y510 HydrophobicContact CB-CD2 4.13Å; C215-Y510 HydrophobicContact CB-CG 3.96Å; C215-Y510 WeakPolarHBondContact SG-CD2 3.47Å; F221-Y510 HydrophobicContact CE1-CE2 4.27Å; E266-Y510 PolarHBondContact OE1-OH 2.64Å; E266-Y510 VanDerWaalsContact OE1-OH 3.06Å; N337-Y510 PolarHBondContact O-N 2.87Å; Y510-P512 HydrophobicContact CE1-CG 4Å
511	E	94.2	Very high	95.5	Very high	19 Å²	19	9.3 Å²	9.3	9%	0.089	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	-144	94.1	-178	-170.9	82.4	-130.9	0	0	109.9	K338 S508 W513 S533 G534	K338-E511 WeakPolarHBondContact CD-OE2 3.22Å; K338-E511 IonicContact NZ-OE1 3.78Å; K338-E511 PolarHBondContact NZ-OE1 2.9Å; K338-E511 IonicContact NZ-OE2 2.93Å; K338-E511 PolarHBondContact NZ-OE2 3.17Å; S508-E511 PolarHBondContact OG-OE2 2.98Å; E511-W513 PolarHBondContact O-N 3.5Å; E511-W513 VanDerWaalsContact O-N 3.14Å; E511-S533 WeakPolarHBondContact O-CA 3.47Å; E511-G534 PolarHBondContact O-N 3.06Å
512	P	93.7	Very high	95.2	Very high	17 Å²	17	10.9 Å²	10.9	11%	0.11	5%	0.053	C	C	.	.	S	Bend	trans	-58.2	-33.3	-175.3	-25.6	32.4	0	0	0	113.8	H206 A207 V259 S260 T263 Y510	H206-P512 WeakPolarHBondContact O-CB 3.34Å; A207-P512 HydrophobicContact CB-CB 4.22Å; A207-P512 HydrophobicContact CB-CG 3.56Å; V259-P512 HydrophobicContact CG2-CB 4.34Å; S260-P512 WeakPolarHBondContact CB-O 3.41Å; S260-P512 PolarHBondContact OG-O 3.48Å; T263-P512 WeakPolarHBondContact OG1-CA 3.32Å; Y510-P512 HydrophobicContact CE1-CG 4Å
513	W	94.4	Very high	94.8	Very high	7 Å²	7	11.5 Å²	11.5	3%	0.027	6%	0.056	C	C	.	.	S	Bend	trans	-126.3	-78.5	170.8	179.5	-117	0	0	0	112.1	V259 P280 N281 E511 Y515 S533 G534 F535 F538 L597	V259-W513 HydrophobicContact CG2-CB 4.35Å; P280-W513 HydrophobicContact CB-CH2 3.55Å; P280-W513 HydrophobicContact CB-CZ2 4.34Å; P280-W513 HydrophobicContact CB-CZ3 3.65Å; N281-W513 HydrophobicContact CB-CD2 4.09Å; N281-W513 HydrophobicContact CB-CG 3.94Å; N281-W513 WeakPolarHBondContact ND2-CB 3.48Å; N281-W513 VanDerWaalsContact O-CE2 3.26Å; N281-W513 WeakPolarHBondContact O-CZ2 3.04Å; N281-W513 PolarHBondContact O-NE1 3.28Å; E511-W513 PolarHBondContact O-N 3.5Å; E511-W513 VanDerWaalsContact O-N 3.14Å; W513-Y515 AromaticContact CD1-CE1 3.93Å; W513-Y515 AromaticContact CD1-CE2 3.94Å; W513-Y515 AromaticContact CD1-CZ 3.86Å; W513-S533 PolarHBondContact O-OG 3.21Å; W513-G534 CarbonylContact O-C 3.55Å; W513-G534 WeakPolarHBondContact O-CA 3.35Å; W513-G534 PolarHBondContact O-N 3.21Å; W513-G534 VanDerWaalsContact O-N 3.16Å; W513-F535 WeakPolarHBondContact O-CB 3.48Å; W513-F535 PolarHBondContact O-N 3.46Å; W513-F538 HydrophobicContact CH2-CB 3.92Å; W513-F538 HydrophobicContact CH2-CD1 4.2Å; W513-F538 HydrophobicContact CH2-CD2 4.36Å; W513-F538 AromaticContact CH2-CG 3.9Å; W513-F538 HydrophobicContact CH2-CG 3.9Å; W513-F538 HydrophobicContact CZ3-CB 3.98Å; W513-F538 HydrophobicContact CZ3-CG 4.36Å; W513-L597 HydrophobicContact CZ2-CD2 4.49Å
514	G	93	Very high	94.5	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.01	6%	0.056	C	C	.	.			trans	109	71.6	-174.4	0	0	0	0	0	112.4	P517 A518	G514-P517 VanDerWaalsContact O-CD 3.29Å; G514-P517 WeakPolarHBondContact O-CD 3.45Å; G514-P517 VanDerWaalsContact O-CG 3.29Å; G514-P517 WeakPolarHBondContact O-CG 3.16Å; G514-A518 PolarHBondContact O-N 3.14Å
515	Y	91.3	Very high	94.4	Very high	37 Å²	37	11.5 Å²	11.5	15%	0.145	6%	0.057	C	C	.	.	H	α-helix	trans	-63.3	-41.4	175.5	-73.3	-78.8	0	0	0	113	V47 N281 L283 W513 A518 E519	V47-Y515 WeakPolarHBondContact CG2-OH 3.22Å; N281-Y515 HydrophobicContact CB-CE1 3.9Å; N281-Y515 VanDerWaalsContact CB-OH 3.26Å; N281-Y515 WeakPolarHBondContact CB-OH 3.48Å; N281-Y515 PolarHBondContact ND2-OH 3.45Å; L283-Y515 HydrophobicContact CD2-CD1 4.32Å; W513-Y515 AromaticContact CD1-CE1 3.93Å; W513-Y515 AromaticContact CD1-CE2 3.94Å; W513-Y515 AromaticContact CD1-CZ 3.86Å; Y515-A518 CarbonylContact O-C 3.59Å; Y515-A518 WeakPolarHBondContact O-CA 3.17Å; Y515-A518 WeakPolarHBondContact O-CB 3.49Å; Y515-A518 PolarHBondContact O-N 2.96Å; Y515-E519 WeakPolarHBondContact O-CB 3.36Å; Y515-E519 VanDerWaalsContact O-CG 3.32Å; Y515-E519 WeakPolarHBondContact O-CG 3.22Å; Y515-E519 PolarHBondContact O-N 3.25Å
516	T	93	Very high	94.4	Very high	18 Å²	18	11.6 Å²	11.6	11%	0.11	6%	0.057	C	C	.	.	H	α-helix	trans	-57.3	-48.9	-174.7	-42.6	0	0	0	0	112.5	A330 Y494 F506 C520	A330-T516 HydrophobicContact CB-CG2 4.1Å; Y494-T516 VanDerWaalsContact OH-CG2 3.25Å; Y494-T516 WeakPolarHBondContact OH-CG2 3.38Å; F506-T516 HydrophobicContact CD1-CG2 3.79Å; F506-T516 HydrophobicContact CE1-CG2 3.17Å; F506-T516 HydrophobicContact CE2-CG2 4.22Å; F506-T516 HydrophobicContact CZ-CG2 3.41Å; F506-T516 VanDerWaalsContact CZ-CG2 3.41Å; T516-C520 PolarHBondContact O-N 3.38Å; T516-C520 PolarHBondContact O-SG 3.14Å
517	P	96	Very high	94.4	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.013	6%	0.055	C	C	.	.	H	α-helix	trans	-68.5	-30.5	172.3	24.5	-33.2	0	0	0	114.1	F506 G514 C520 T521 F535	F506-P517 HydrophobicContact CD2-CB 3.72Å; F506-P517 HydrophobicContact CD2-CG 4.17Å; F506-P517 HydrophobicContact CE2-CB 4.1Å; G514-P517 VanDerWaalsContact O-CD 3.29Å; G514-P517 WeakPolarHBondContact O-CD 3.45Å; G514-P517 VanDerWaalsContact O-CG 3.29Å; G514-P517 WeakPolarHBondContact O-CG 3.16Å; P517-C520 WeakPolarHBondContact O-CB 3.44Å; P517-C520 PolarHBondContact O-N 3.45Å; P517-T521 PolarHBondContact O-N 2.86Å; P517-T521 PolarHBondContact O-OG1 3.45Å; P517-F535 HydrophobicContact CB-CD1 3.66Å; P517-F535 HydrophobicContact CB-CE1 3.66Å; P517-F535 HydrophobicContact CB-CG 4.27Å; P517-F535 HydrophobicContact CB-CZ 4.23Å; P517-F535 HydrophobicContact CG-CB 4.28Å; P517-F535 HydrophobicContact CG-CD1 3.7Å; P517-F535 HydrophobicContact CG-CE1 4.23Å; P517-F535 HydrophobicContact CG-CG 3.97Å
518	A	93.5	Very high	94.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.8	-46.3	174.3	0	0	0	0	0	111.7	L283 G514 Y515 C520 T521 V522 F535 L597	L283-A518 HydrophobicContact CD1-CB 4.08Å; G514-A518 PolarHBondContact O-N 3.14Å; Y515-A518 CarbonylContact O-C 3.59Å; Y515-A518 WeakPolarHBondContact O-CA 3.17Å; Y515-A518 WeakPolarHBondContact O-CB 3.49Å; Y515-A518 PolarHBondContact O-N 2.96Å; A518-C520 VanDerWaalsContact C-N 3.33Å; A518-C520 PolarHBondContact O-N 3.06Å; A518-T521 WeakPolarHBondContact O-CB 3.45Å; A518-T521 PolarHBondContact O-N 2.9Å; A518-T521 VanDerWaalsContact O-N 3.13Å; A518-V522 WeakPolarHBondContact O-CG2 3.35Å; A518-V522 PolarHBondContact O-N 3.07Å; A518-F535 HydrophobicContact CB-CD2 3.79Å; A518-F535 HydrophobicContact CB-CE2 3.9Å; A518-L597 HydrophobicContact CB-CD1 4.18Å
519	E	91.9	Very high	94.5	Very high	45 Å²	45	11.1 Å²	11.1	21%	0.21	6%	0.055	C	C	.	.	H	α-helix	trans	-60.3	-41.4	173.8	-69.7	168.5	163.1	0	0	111.5	L283 Y494 Y515 T521 V522 M523	L283-E519 HydrophobicContact CD1-CG 3.96Å; Y494-E519 WeakPolarHBondContact CE1-OE2 3.46Å; Y494-E519 PolarHBondContact OH-OE2 3.2Å; Y515-E519 WeakPolarHBondContact O-CB 3.36Å; Y515-E519 VanDerWaalsContact O-CG 3.32Å; Y515-E519 WeakPolarHBondContact O-CG 3.22Å; Y515-E519 PolarHBondContact O-N 3.25Å; E519-T521 VanDerWaalsContact C-N 3.29Å; E519-T521 PolarHBondContact O-N 3.22Å; E519-V522 PolarHBondContact O-N 2.92Å; E519-M523 HydrophobicContact CB-CE 4.4Å; E519-M523 VanDerWaalsContact O-CG 3.29Å; E519-M523 WeakPolarHBondContact O-CG 3.41Å; E519-M523 PolarHBondContact O-N 3.01Å
520	C	94.6	Very high	94.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.2	-45.7	173.7	-68.1	0	0	0	0	111.2	F328 F506 T516 P517 A518 M523 G524 I525	F328-C520 VanDerWaalsContact CZ-SG 3.53Å; F506-C520 VanDerWaalsContact CE2-SG 3.59Å; T516-C520 PolarHBondContact O-N 3.38Å; T516-C520 PolarHBondContact O-SG 3.14Å; P517-C520 WeakPolarHBondContact O-CB 3.44Å; P517-C520 PolarHBondContact O-N 3.45Å; A518-C520 VanDerWaalsContact C-N 3.33Å; A518-C520 PolarHBondContact O-N 3.06Å; C520-M523 CarbonylContact O-C 3.53Å; C520-M523 PolarHBondContact O-N 3.26Å; C520-M523 VanDerWaalsContact O-N 3.12Å; C520-G524 PolarHBondContact O-N 3.5Å; C520-I525 CarbonylContact C-O 3.53Å; C520-I525 HydrophobicContact CB-CB 4.27Å; C520-I525 WeakPolarHBondContact CB-O 3.5Å; C520-I525 PolarHBondContact O-N 3.01Å
521	T	94.4	Very high	94.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.9	-45.9	-179.5	-54.3	0	0	0	0	111.3	P517 A518 E519 M523 G524 F535 M539 I551 T590 L593 L597	P517-T521 PolarHBondContact O-N 2.86Å; P517-T521 PolarHBondContact O-OG1 3.45Å; A518-T521 WeakPolarHBondContact O-CB 3.45Å; A518-T521 PolarHBondContact O-N 2.9Å; A518-T521 VanDerWaalsContact O-N 3.13Å; E519-T521 VanDerWaalsContact C-N 3.29Å; E519-T521 PolarHBondContact O-N 3.22Å; T521-M523 PolarHBondContact O-N 2.73Å; T521-G524 PolarHBondContact O-N 3.33Å; T521-F535 WeakPolarHBondContact OG1-CZ 3.2Å; T521-M539 HydrophobicContact CG2-CE 4.12Å; T521-I551 HydrophobicContact CG2-CD1 4.22Å; T521-I551 WeakPolarHBondContact OG1-CD1 3.26Å; T521-T590 HydrophobicContact CG2-CG2 4.09Å; T521-T590 WeakPolarHBondContact CG2-O 3.26Å; T521-L593 HydrophobicContact CG2-CB 3.81Å; T521-L597 HydrophobicContact CG2-CD1 3.9Å
522	V	90.9	Very high	94.8	Very high	33 Å²	33	9.1 Å²	9.1	20%	0.2	5%	0.047	C	C	.	.	H	α-helix	trans	-60.7	-29.8	175.3	173.7	0	0	0	0	112.2	L283 I285 A518 E519 G524 L597	L283-V522 HydrophobicContact CD1-CG2 3.94Å; I285-V522 HydrophobicContact CD1-CG2 4.11Å; I285-V522 HydrophobicContact CG1-CG1 4.15Å; I285-V522 HydrophobicContact CG1-CG2 4.19Å; I285-V522 HydrophobicContact CG2-CG1 4.19Å; A518-V522 WeakPolarHBondContact O-CG2 3.35Å; A518-V522 PolarHBondContact O-N 3.07Å; E519-V522 PolarHBondContact O-N 2.92Å; V522-G524 VanDerWaalsContact C-N 3.33Å; V522-L597 HydrophobicContact CG2-CB 4.49Å; V522-L597 HydrophobicContact CG2-CD1 4.35Å
523	M	90.9	Very high	94.9	Very high	15 Å²	15	8.4 Å²	8.4	7%	0.074	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	5.6	176.4	-64.6	-179.1	-158.1	0	0	113.9	E495 V498 R499 E519 C520 T521 I525	E495-M523 HydrophobicContact CB-CE 3.54Å; E495-M523 HydrophobicContact CB-SD 4.09Å; E495-M523 HydrophobicContact CG-CE 3.65Å; V498-M523 HydrophobicContact CB-SD 3.8Å; V498-M523 HydrophobicContact CG1-CB 4.48Å; V498-M523 HydrophobicContact CG1-SD 3.63Å; R499-M523 HydrophobicContact CG-CB 4.05Å; R499-M523 HydrophobicContact CG-CG 4.18Å; R499-M523 HydrophobicContact CG-SD 3.93Å; E519-M523 HydrophobicContact CB-CE 4.4Å; E519-M523 VanDerWaalsContact O-CG 3.29Å; E519-M523 WeakPolarHBondContact O-CG 3.41Å; E519-M523 PolarHBondContact O-N 3.01Å; C520-M523 CarbonylContact O-C 3.53Å; C520-M523 PolarHBondContact O-N 3.26Å; C520-M523 VanDerWaalsContact O-N 3.12Å; T521-M523 PolarHBondContact O-N 2.73Å; M523-I525 VanDerWaalsContact C-N 3.28Å; M523-I525 HydrophobicContact CB-CG1 4.17Å; M523-I525 PolarHBondContact O-N 3.49Å
524	G	92.8	Very high	95	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	24.8	-177.9	0	0	0	0	0	113.7	C520 T521 V522 R587	C520-G524 PolarHBondContact O-N 3.5Å; T521-G524 PolarHBondContact O-N 3.33Å; V522-G524 VanDerWaalsContact C-N 3.33Å; G524-R587 WeakPolarHBondContact O-CA 3.45Å; G524-R587 WeakPolarHBondContact O-CB 3.23Å; G524-R587 WeakPolarHBondContact O-CD 3.42Å; G524-R587 WeakPolarHBondContact O-CG 3.32Å
525	I	96.5	Very high	95.1	Very high	1 Å²	1	8 Å²	8	1%	0.005	4%	0.041	C	C	.	.			trans	-104	117.6	179.4	-54.7	-57.6	0	0	0	109.1	V498 C520 M523	V498-I525 HydrophobicContact CG1-CG1 4.17Å; C520-I525 CarbonylContact C-O 3.53Å; C520-I525 HydrophobicContact CB-CB 4.27Å; C520-I525 WeakPolarHBondContact CB-O 3.5Å; C520-I525 PolarHBondContact O-N 3.01Å; M523-I525 VanDerWaalsContact C-N 3.28Å; M523-I525 HydrophobicContact CB-CG1 4.17Å; M523-I525 PolarHBondContact O-N 3.49Å
526	P	98.1	Very high	95.4	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.006	3%	0.034	C	C	.	.			trans	-52.5	148	174.4	-30.2	36.4	0	0	0	111.6	L503 G504 G550 Y552 F575 Q586 R587	L503-P526 WeakPolarHBondContact CA-O 3.25Å; L503-P526 HydrophobicContact CD1-CB 3.84Å; G504-P526 PolarHBondContact N-O 3.2Å; P526-G550 CarbonylContact C-O 3.59Å; P526-G550 VanDerWaalsContact CA-O 3.27Å; P526-G550 WeakPolarHBondContact CA-O 3.31Å; P526-G550 WeakPolarHBondContact CB-O 3.28Å; P526-Y552 HydrophobicContact CB-CE2 4.41Å; P526-F575 HydrophobicContact CB-CE2 4.28Å; P526-F575 HydrophobicContact CG-CE2 4.38Å; P526-Q586 HydrophobicContact CG-CG 3.94Å; P526-R587 HydrophobicContact CG-CG 4.45Å
527	S	98.3	Very high	95.4	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.5	179.9	66.1	0	0	0	0	113	G504 G550 Y552	G504-S527 CarbonylContact O-C 3.56Å; G504-S527 WeakPolarHBondContact O-CA 3.31Å; S527-G550 PolarHBondContact N-O 2.97Å; S527-Y552 PolarHBondContact O-N 3.1Å
528	V	98.7	Very high	95.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.3	168.2	-169.6	0	0	0	0	108.6	L503 G504 V505 F506 Y552 V554 L568 I571	L503-V528 HydrophobicContact CD1-CG2 4.16Å; L503-V528 HydrophobicContact CD2-CG2 4.1Å; L503-V528 HydrophobicContact CG-CG2 4.3Å; G504-V528 PolarHBondContact O-N 2.87Å; V505-V528 HydrophobicContact CG1-CB 4.22Å; V505-V528 HydrophobicContact CG1-CG2 4.44Å; V505-V528 HydrophobicContact CG2-CG2 4.27Å; F506-V528 CarbonylContact C-O 3.04Å; F506-V528 WeakPolarHBondContact CA-O 3.45Å; F506-V528 PolarHBondContact N-O 3.44Å; V528-Y552 CarbonylContact C-O 3.46Å; V528-Y552 VanDerWaalsContact CA-O 3.31Å; V528-Y552 WeakPolarHBondContact CA-O 3.28Å; V528-Y552 HydrophobicContact CG2-CD2 4.24Å; V528-V554 HydrophobicContact CG1-CG2 3.68Å; V528-L568 HydrophobicContact CB-CD1 4.49Å; V528-L568 HydrophobicContact CG1-CD1 3.75Å; V528-I571 HydrophobicContact CG2-CG2 4.03Å
529	T	98.3	Very high	95.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	-169.6	175.9	-164.3	0	0	0	0	110.1	F506 S533 F535 Y552 I553 V554	F506-T529 WeakPolarHBondContact O-CA 3.4Å; T529-S533 WeakPolarHBondContact OG1-CB 3.49Å; T529-S533 PolarHBondContact OG1-OG 3Å; T529-F535 HydrophobicContact CG2-CD1 3.97Å; T529-F535 HydrophobicContact CG2-CE1 4.21Å; T529-Y552 PolarHBondContact N-O 3.3Å; T529-I553 HydrophobicContact CG2-CG1 3.98Å; T529-V554 PolarHBondContact O-N 3.17Å
530	T	98.1	Very high	95.3	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	159.7	-177.1	71.3	0	0	0	0	111.4	P507 S508 L532 S533 V554 R556	P507-T530 VanDerWaalsContact CA-CG2 3.41Å; P507-T530 HydrophobicContact CB-CG2 4.26Å; S508-T530 VanDerWaalsContact O-CG2 3.28Å; S508-T530 WeakPolarHBondContact O-CG2 3.32Å; S508-T530 PolarHBondContact O-OG1 3.14Å; T530-L532 PolarHBondContact O-N 3.46Å; T530-L532 PolarHBondContact OG1-N 3.26Å; T530-S533 WeakPolarHBondContact O-CB 3.43Å; T530-S533 PolarHBondContact O-N 3.2Å; T530-S533 VanDerWaalsContact O-N 3.14Å; T530-S533 PolarHBondContact OG1-N 2.92Å; T530-V554 VanDerWaalsContact CA-O 3.26Å; T530-V554 WeakPolarHBondContact CA-O 3.46Å; T530-V554 HydrophobicContact CG2-CB 4.42Å; T530-R556 VanDerWaalsContact CG2-CD 3.5Å; T530-R556 HydrophobicContact CG2-CG 3.89Å
531	N	95.9	Very high	95	Very high	14 Å²	14	14.5 Å²	14.5	8%	0.075	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	10.3	169.4	65.3	-11.4	0	0	0	113.9	C537 I553 V554 D555 R556 R557	N531-C537 PolarHBondContact O-SG 3.31Å; N531-I553 HydrophobicContact CB-CG2 4.19Å; N531-V554 PolarHBondContact N-O 3.1Å; N531-V554 VanDerWaalsContact N-O 3.12Å; N531-V554 PolarHBondContact OD1-O 3.21Å; N531-D555 PolarHBondContact ND2-OD1 3.22Å; N531-R556 PolarHBondContact OD1-N 2.81Å; N531-R557 PolarHBondContact OD1-N 3.18Å
532	L	95.8	Very high	94.6	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	1.5	167.8	-64	179.2	0	0	0	112.3	Y222 I262 Y509 T530 R556 R557	Y222-L532 HydrophobicContact CD1-CD2 4.15Å; Y222-L532 HydrophobicContact CD2-CD1 3.82Å; Y222-L532 HydrophobicContact CD2-CD2 3.63Å; Y222-L532 HydrophobicContact CD2-CG 4.26Å; Y222-L532 HydrophobicContact CE1-CD2 4.41Å; Y222-L532 HydrophobicContact CE2-CB 4.31Å; Y222-L532 HydrophobicContact CE2-CD1 4.04Å; Y222-L532 HydrophobicContact CE2-CD2 3.91Å; Y222-L532 HydrophobicContact CE2-CG 4.32Å; Y222-L532 HydrophobicContact CG-CD2 3.73Å; I262-L532 HydrophobicContact CD1-CD2 4.11Å; Y509-L532 HydrophobicContact CD2-CD1 3.65Å; Y509-L532 HydrophobicContact CE2-CD1 3.85Å; Y509-L532 WeakPolarHBondContact O-CB 3.39Å; T530-L532 PolarHBondContact O-N 3.46Å; T530-L532 PolarHBondContact OG1-N 3.26Å; L532-R556 HydrophobicContact CD1-CB 3.75Å; L532-R556 WeakPolarHBondContact CD1-O 3.25Å; L532-R556 HydrophobicContact CG-CB 4.19Å; L532-R557 HydrophobicContact CD2-CB 3.72Å; L532-R557 HydrophobicContact CD2-CG 3.9Å; L532-R557 HydrophobicContact CG-CB 4.23Å
533	S	96.8	Very high	94.5	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.007	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-99.8	134.2	174.4	172.7	0	0	0	0	109.7	E511 W513 T529 T530 F535 G536 C537	E511-S533 WeakPolarHBondContact O-CA 3.47Å; W513-S533 PolarHBondContact O-OG 3.21Å; T529-S533 WeakPolarHBondContact OG1-CB 3.49Å; T529-S533 PolarHBondContact OG1-OG 3Å; T530-S533 WeakPolarHBondContact O-CB 3.43Å; T530-S533 PolarHBondContact O-N 3.2Å; T530-S533 VanDerWaalsContact O-N 3.14Å; T530-S533 PolarHBondContact OG1-N 2.92Å; S533-F535 VanDerWaalsContact C-N 3.27Å; S533-F535 PolarHBondContact O-N 3.42Å; S533-G536 WeakPolarHBondContact O-CA 3.35Å; S533-G536 PolarHBondContact O-N 3.08Å; S533-C537 PolarHBondContact O-N 3.26Å; S533-C537 PolarHBondContact O-SG 2.75Å
534	G	95.7	Very high	94.3	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-55.6	-40.7	179.3	0	0	0	0	0	113.8	E511 W513 C537 F538	E511-G534 PolarHBondContact O-N 3.06Å; W513-G534 CarbonylContact O-C 3.55Å; W513-G534 WeakPolarHBondContact O-CA 3.35Å; W513-G534 PolarHBondContact O-N 3.21Å; W513-G534 VanDerWaalsContact O-N 3.16Å; G534-C537 PolarHBondContact O-N 3.11Å; G534-F538 WeakPolarHBondContact O-CB 3.31Å; G534-F538 PolarHBondContact O-N 2.9Å
535	F	96.4	Very high	94.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.7	-41.6	174.1	171	-92.1	0	0	0	111.5	W513 P517 A518 T521 T529 S533 F538 M539 I551 L597	W513-F535 WeakPolarHBondContact O-CB 3.48Å; W513-F535 PolarHBondContact O-N 3.46Å; P517-F535 HydrophobicContact CB-CD1 3.66Å; P517-F535 HydrophobicContact CB-CE1 3.66Å; P517-F535 HydrophobicContact CB-CG 4.27Å; P517-F535 HydrophobicContact CB-CZ 4.23Å; P517-F535 HydrophobicContact CG-CB 4.28Å; P517-F535 HydrophobicContact CG-CD1 3.7Å; P517-F535 HydrophobicContact CG-CE1 4.23Å; P517-F535 HydrophobicContact CG-CG 3.97Å; A518-F535 HydrophobicContact CB-CD2 3.79Å; A518-F535 HydrophobicContact CB-CE2 3.9Å; T521-F535 WeakPolarHBondContact OG1-CZ 3.2Å; T529-F535 HydrophobicContact CG2-CD1 3.97Å; T529-F535 HydrophobicContact CG2-CE1 4.21Å; S533-F535 VanDerWaalsContact C-N 3.27Å; S533-F535 PolarHBondContact O-N 3.42Å; F535-F538 PolarHBondContact O-N 3.24Å; F535-M539 HydrophobicContact CD1-CG 4.36Å; F535-M539 HydrophobicContact CD2-CE 4.42Å; F535-M539 HydrophobicContact CD2-CG 4.37Å; F535-M539 HydrophobicContact CE1-CG 3.87Å; F535-M539 HydrophobicContact CE2-CE 3.39Å; F535-M539 HydrophobicContact CE2-CG 3.92Å; F535-M539 HydrophobicContact CZ-CE 3.48Å; F535-M539 VanDerWaalsContact CZ-CE 3.48Å; F535-M539 HydrophobicContact CZ-CG 3.63Å; F535-M539 HydrophobicContact CZ-SD 4.41Å; F535-M539 WeakPolarHBondContact O-CB 3.39Å; F535-M539 WeakPolarHBondContact O-CG 3.33Å; F535-M539 PolarHBondContact O-N 2.76Å; F535-I551 HydrophobicContact CE1-CG2 4.08Å; F535-I551 HydrophobicContact CZ-CD1 4.22Å; F535-L597 HydrophobicContact CD2-CD2 4.33Å; F535-L597 HydrophobicContact CE2-CD1 3.91Å; F535-L597 HydrophobicContact CE2-CD2 4.07Å
536	G	95.9	Very high	93.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.3	-45.9	177.5	0	0	0	0	0	111.7	S533 F538 M539 Q540 I553	S533-G536 WeakPolarHBondContact O-CA 3.35Å; S533-G536 PolarHBondContact O-N 3.08Å; G536-F538 PolarHBondContact O-N 3.09Å; G536-M539 PolarHBondContact O-N 2.86Å; G536-Q540 VanDerWaalsContact O-CB 3.32Å; G536-Q540 WeakPolarHBondContact O-CB 3.23Å; G536-Q540 PolarHBondContact O-N 3.14Å; G536-I553 WeakPolarHBondContact O-CD1 3.44Å
537	C	93.7	Very high	93.6	Very high	23 Å²	23	20.1 Å²	20.1	16%	0.155	12%	0.117	C	C	.	.	H	α-helix	trans	-58.8	-47	173.6	-62.9	0	0	0	0	111.6	N531 S533 G534 M539 Q540 E541	N531-C537 PolarHBondContact O-SG 3.31Å; S533-C537 PolarHBondContact O-N 3.26Å; S533-C537 PolarHBondContact O-SG 2.75Å; G534-C537 PolarHBondContact O-N 3.11Å; C537-M539 PolarHBondContact O-N 2.88Å; C537-Q540 PolarHBondContact O-N 2.87Å; C537-E541 PolarHBondContact O-N 2.75Å; C537-E541 VanDerWaalsContact O-N 3.11Å
538	F	94	Very high	93.3	Very high	11 Å²	11	20.8 Å²	20.8	5%	0.048	12%	0.123	C	C	.	.	H	α-helix	trans	-59.2	-48.8	179	178	-96.5	0	0	0	111.9	P280 W513 G534 F535 G536 Q540 E541 H542 L597 L602	P280-F538 HydrophobicContact CB-CD2 4.15Å; P280-F538 HydrophobicContact CB-CE2 4.27Å; P280-F538 HydrophobicContact CG-CD2 3.96Å; P280-F538 HydrophobicContact CG-CE2 4.02Å; W513-F538 HydrophobicContact CH2-CB 3.92Å; W513-F538 HydrophobicContact CH2-CD1 4.2Å; W513-F538 HydrophobicContact CH2-CD2 4.36Å; W513-F538 AromaticContact CH2-CG 3.9Å; W513-F538 HydrophobicContact CH2-CG 3.9Å; W513-F538 HydrophobicContact CZ3-CB 3.98Å; W513-F538 HydrophobicContact CZ3-CG 4.36Å; G534-F538 WeakPolarHBondContact O-CB 3.31Å; G534-F538 PolarHBondContact O-N 2.9Å; F535-F538 PolarHBondContact O-N 3.24Å; G536-F538 PolarHBondContact O-N 3.09Å; F538-Q540 PolarHBondContact O-N 2.79Å; F538-E541 PolarHBondContact O-N 2.83Å; F538-H542 AromaticContact CD2-CE1 3.51Å; F538-H542 AromaticContact CD2-ND1 3.52Å; F538-H542 AromaticContact CE2-CE1 3.37Å; F538-H542 WeakPolarHBondContact CE2-CE1 3.46Å; F538-H542 AromaticContact CE2-ND1 3.54Å; F538-H542 AromaticContact CE2-NE2 3.71Å; F538-H542 AromaticContact CG-ND1 3.97Å; F538-H542 WeakPolarHBondContact O-CB 3.49Å; F538-H542 PolarHBondContact O-N 3.44Å; F538-H542 PolarHBondContact O-ND1 3.12Å; F538-L597 HydrophobicContact CD1-CD2 4.26Å; F538-L597 HydrophobicContact CE1-CD2 3.99Å; F538-L602 HydrophobicContact CE2-CD2 3.89Å; F538-L602 HydrophobicContact CZ-CD2 3.76Å
539	M	93.8	Very high	93	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.4	-38	179	-73.6	-62.9	-169.5	0	0	112.7	T521 F535 G536 C537 E541 H542 V543 I551 L593 L597	T521-M539 HydrophobicContact CG2-CE 4.12Å; F535-M539 HydrophobicContact CD1-CG 4.36Å; F535-M539 HydrophobicContact CD2-CE 4.42Å; F535-M539 HydrophobicContact CD2-CG 4.37Å; F535-M539 HydrophobicContact CE1-CG 3.87Å; F535-M539 HydrophobicContact CE2-CE 3.39Å; F535-M539 HydrophobicContact CE2-CG 3.92Å; F535-M539 HydrophobicContact CZ-CE 3.48Å; F535-M539 VanDerWaalsContact CZ-CE 3.48Å; F535-M539 HydrophobicContact CZ-CG 3.63Å; F535-M539 HydrophobicContact CZ-SD 4.41Å; F535-M539 WeakPolarHBondContact O-CB 3.39Å; F535-M539 WeakPolarHBondContact O-CG 3.33Å; F535-M539 PolarHBondContact O-N 2.76Å; G536-M539 PolarHBondContact O-N 2.86Å; C537-M539 PolarHBondContact O-N 2.88Å; M539-E541 VanDerWaalsContact C-N 3.26Å; M539-E541 PolarHBondContact O-N 3.18Å; M539-H542 PolarHBondContact O-N 3.16Å; M539-V543 WeakPolarHBondContact O-CB 3.35Å; M539-V543 PolarHBondContact O-N 3.09Å; M539-V543 HydrophobicContact SD-CG2 4.03Å; M539-I551 HydrophobicContact CB-CG2 4.07Å; M539-I551 HydrophobicContact CG-CG2 4.14Å; M539-L593 HydrophobicContact SD-CD1 4.45Å; M539-L597 HydrophobicContact CE-CD1 3.76Å; M539-L597 HydrophobicContact CE-CD2 3.91Å; M539-L597 HydrophobicContact CE-CG 3.96Å
540	Q	91.7	Very high	92.8	Very high	109 Å²	109	20.8 Å²	20.8	51%	0.509	12%	0.123	S	C	.	.	H	α-helix	trans	-63.9	-33.1	177.1	-172	171.8	3.3	0	0	112.6	G536 C537 F538 I553	G536-Q540 VanDerWaalsContact O-CB 3.32Å; G536-Q540 WeakPolarHBondContact O-CB 3.23Å; G536-Q540 PolarHBondContact O-N 3.14Å; C537-Q540 PolarHBondContact O-N 2.87Å; F538-Q540 PolarHBondContact O-N 2.79Å; Q540-I553 HydrophobicContact CB-CD1 3.77Å; Q540-I553 HydrophobicContact CG-CD1 4.47Å
541	E	88.1	Confident	92.8	Very high	94 Å²	94	20.9 Å²	20.9	44%	0.439	12%	0.123	S	C	.	.	H	α-helix	trans	-78	-42.5	178.6	-176.4	173.3	-163.8	0	0	112.2	C537 F538 M539	C537-E541 PolarHBondContact O-N 2.75Å; C537-E541 VanDerWaalsContact O-N 3.11Å; F538-E541 PolarHBondContact O-N 2.83Å; M539-E541 VanDerWaalsContact C-N 3.26Å; M539-E541 PolarHBondContact O-N 3.18Å
542	H	86.7	Confident	92.9	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.019	12%	0.124	C	C	.	.	H	α-helix	trans	-94.4	-11.9	-169.6	-66	78.5	0	0	0	114.6	F538 M539 R636 Y637	F538-H542 AromaticContact CD2-CE1 3.51Å; F538-H542 AromaticContact CD2-ND1 3.52Å; F538-H542 AromaticContact CE2-CE1 3.37Å; F538-H542 WeakPolarHBondContact CE2-CE1 3.46Å; F538-H542 AromaticContact CE2-ND1 3.54Å; F538-H542 AromaticContact CE2-NE2 3.71Å; F538-H542 AromaticContact CG-ND1 3.97Å; F538-H542 WeakPolarHBondContact O-CB 3.49Å; F538-H542 PolarHBondContact O-N 3.44Å; F538-H542 PolarHBondContact O-ND1 3.12Å; M539-H542 PolarHBondContact O-N 3.16Å; H542-R636 CarbonylContact O-C 3.34Å; H542-R636 WeakPolarHBondContact O-CA 3.39Å; H542-Y637 PolarHBondContact O-N 3.12Å
543	V	88.1	Confident	93	Very high	3 Å²	3	23 Å²	23	2%	0.018	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-123.9	126.5	-178.8	-176.4	0	0	0	0	110	M539 D545 P546 Y549 L593 L596	M539-V543 WeakPolarHBondContact O-CB 3.35Å; M539-V543 PolarHBondContact O-N 3.09Å; M539-V543 HydrophobicContact SD-CG2 4.03Å; V543-D545 PolarHBondContact O-N 2.95Å; V543-P546 HydrophobicContact CB-CG 4.16Å; V543-P546 HydrophobicContact CG1-CG 4.32Å; V543-P546 WeakPolarHBondContact O-CD 3.33Å; V543-Y549 HydrophobicContact CG1-CD2 3.73Å; V543-Y549 HydrophobicContact CG1-CE2 4.14Å; V543-L593 HydrophobicContact CG1-CD2 4.47Å; V543-L593 HydrophobicContact CG2-CD1 4.36Å; V543-L593 HydrophobicContact CG2-CD2 3.96Å; V543-L596 HydrophobicContact CG2-CD1 4.04Å
544	A	86.4	Confident	93.1	Very high	55 Å²	55	23 Å²	23	46%	0.455	13%	0.132	S	C	.	.	S	Bend	trans	-68.1	-35.9	-175	0	0	0	0	0	113.7	R636 Y637	A544-R636 HydrophobicContact CB-CB 4.37Å; A544-Y637 WeakPolarHBondContact CB-O 3.47Å; A544-Y637 PolarHBondContact N-O 3.31Å
545	D	88.8	Confident	93.2	Very high	43 Å²	43	24.4 Å²	24.4	23%	0.23	14%	0.14	C	C	.	.			trans	-136.4	77.3	178.1	-174.2	-4.6	0	0	0	110.2	V543 A547 A548 Y549 R639	V543-D545 PolarHBondContact O-N 2.95Å; D545-A547 PolarHBondContact O-N 2.84Å; D545-A548 HydrophobicContact CB-CB 4.19Å; D545-A548 PolarHBondContact O-N 3.3Å; D545-A548 PolarHBondContact OD1-N 3.32Å; D545-A548 WeakPolarHBondContact OD2-CB 3.46Å; D545-Y549 WeakPolarHBondContact O-CD2 3.5Å; D545-R639 HydrophobicContact CB-CB 4.49Å; D545-R639 HydrophobicContact CB-CG 4.17Å; D545-R639 IonicContact OD2-CZ 3.76Å; D545-R639 IonicContact OD2-NE 2.8Å; D545-R639 PolarHBondContact OD2-NE 3.49Å
546	P	92.8	Very high	93.1	Very high	21 Å²	21	26 Å²	26	14%	0.136	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-56.9	-35.7	-175.2	-24.2	33	0	0	0	113.3	V543 A548 Y549 G550 I551 I553	V543-P546 HydrophobicContact CB-CG 4.16Å; V543-P546 HydrophobicContact CG1-CG 4.32Å; V543-P546 WeakPolarHBondContact O-CD 3.33Å; P546-A548 PolarHBondContact O-N 2.91Å; P546-Y549 CarbonylContact O-C 3.58Å; P546-Y549 PolarHBondContact O-N 3.28Å; P546-Y549 VanDerWaalsContact O-N 3.11Å; P546-G550 PolarHBondContact O-N 3.32Å; P546-I551 CarbonylContact C-O 3.4Å; P546-I551 HydrophobicContact CB-CB 3.98Å; P546-I551 HydrophobicContact CB-CG2 4.29Å; P546-I551 WeakPolarHBondContact CB-O 3.42Å; P546-I551 WeakPolarHBondContact O-CA 3.35Å; P546-I551 PolarHBondContact O-N 3.48Å; P546-I551 VanDerWaalsContact O-O 3.13Å; P546-I553 HydrophobicContact CB-CD1 4.22Å; P546-I553 HydrophobicContact CG-CD1 4.21Å
547	A	92.5	Very high	93	Very high	43 Å²	43	28.8 Å²	28.8	36%	0.355	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-66	-37.1	-177.5	0	0	0	0	0	112.3	D545 Y549 G550 I551 Y552 Q586	D545-A547 PolarHBondContact O-N 2.84Å; A547-Y549 PolarHBondContact O-N 3.48Å; A547-G550 PolarHBondContact O-N 3.43Å; A547-I551 WeakPolarHBondContact CA-O 3.29Å; A547-I551 PolarHBondContact N-O 2.81Å; A547-Y552 HydrophobicContact CB-CD1 4.21Å; A547-Y552 HydrophobicContact CB-CE1 4.41Å; A547-Q586 PolarHBondContact O-NE2 2.95Å
548	A	90.3	Very high	93	Very high	14 Å²	14	35 Å²	35	12%	0.116	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-63.4	-26.9	175	0	0	0	0	0	113.3	D545 P546 R589 P640 V643	D545-A548 HydrophobicContact CB-CB 4.19Å; D545-A548 PolarHBondContact O-N 3.3Å; D545-A548 PolarHBondContact OD1-N 3.32Å; D545-A548 WeakPolarHBondContact OD2-CB 3.46Å; P546-A548 PolarHBondContact O-N 2.91Å; A548-R589 WeakPolarHBondContact O-CD 3.41Å; A548-R589 PolarHBondContact O-NH1 2.88Å; A548-P640 HydrophobicContact CB-CG 3.98Å; A548-V643 HydrophobicContact CB-CG2 4.3Å
549	Y	92.6	Very high	93	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-91	6.2	173.3	-70.8	-84.9	0	0	0	113.7	V543 D545 P546 A547 R589 T590 L593 Y637 P638 P640	V543-Y549 HydrophobicContact CG1-CD2 3.73Å; V543-Y549 HydrophobicContact CG1-CE2 4.14Å; D545-Y549 WeakPolarHBondContact O-CD2 3.5Å; P546-Y549 CarbonylContact O-C 3.58Å; P546-Y549 PolarHBondContact O-N 3.28Å; P546-Y549 VanDerWaalsContact O-N 3.11Å; A547-Y549 PolarHBondContact O-N 3.48Å; Y549-R589 HydrophobicContact CD1-CB 3.79Å; Y549-R589 WeakPolarHBondContact CD1-O 3.23Å; Y549-R589 HydrophobicContact CE1-CB 4.33Å; Y549-T590 VanDerWaalsContact O-CA 3.23Å; Y549-T590 WeakPolarHBondContact O-CA 3.39Å; Y549-T590 WeakPolarHBondContact O-CB 3.35Å; Y549-T590 PolarHBondContact O-N 3.3Å; Y549-T590 PolarHBondContact O-OG1 2.9Å; Y549-L593 VanDerWaalsContact CB-CD1 3.47Å; Y549-L593 HydrophobicContact CD1-CD1 4.36Å; Y549-L593 HydrophobicContact CD1-CD2 3.94Å; Y549-L593 HydrophobicContact CD1-CG 3.96Å; Y549-L593 HydrophobicContact CE1-CD2 4.38Å; Y549-L593 HydrophobicContact CG-CD1 4Å; Y549-L593 HydrophobicContact CG-CD2 4.09Å; Y549-L593 HydrophobicContact CG-CG 4.1Å; Y549-Y637 HydrophobicContact CD1-CE1 4.46Å; Y549-Y637 AromaticContact CE1-CD1 3.87Å; Y549-Y637 HydrophobicContact CE1-CD1 3.87Å; Y549-Y637 AromaticContact CE1-CE1 3.48Å; Y549-Y637 HydrophobicContact CE1-CE1 3.48Å; Y549-Y637 VanDerWaalsContact CE1-CE1 3.48Å; Y549-Y637 AromaticContact CE2-CD1 3.9Å; Y549-Y637 HydrophobicContact CE2-CD1 3.9Å; Y549-Y637 HydrophobicContact CE2-CE1 4.33Å; Y549-Y637 AromaticContact CZ-CD1 3.41Å; Y549-Y637 VanDerWaalsContact CZ-CD1 3.41Å; Y549-Y637 AromaticContact CZ-CE1 3.4Å; Y549-Y637 VanDerWaalsContact OH-CD1 3.31Å; Y549-Y637 WeakPolarHBondContact OH-CD1 3.49Å; Y549-Y637 WeakPolarHBondContact OH-CE1 3.38Å; Y549-P638 WeakPolarHBondContact CE2-O 3.43Å; Y549-P638 VanDerWaalsContact CZ-O 3.27Å; Y549-P638 PolarHBondContact OH-O 3.4Å; Y549-P640 HydrophobicContact CD1-CG 4.44Å; Y549-P640 HydrophobicContact CD2-CG 4.14Å; Y549-P640 HydrophobicContact CE1-CG 3.94Å; Y549-P640 VanDerWaalsContact CE2-CD 3.44Å; Y549-P640 HydrophobicContact CE2-CG 3.63Å; Y549-P640 VanDerWaalsContact CZ-CG 3.48Å
550	G	95.3	Very high	93.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	16.1	179.2	0	0	0	0	0	114.8	P526 S527 P546 A547	P526-G550 CarbonylContact C-O 3.59Å; P526-G550 VanDerWaalsContact CA-O 3.27Å; P526-G550 WeakPolarHBondContact CA-O 3.31Å; P526-G550 WeakPolarHBondContact CB-O 3.28Å; S527-G550 PolarHBondContact N-O 2.97Å; P546-G550 PolarHBondContact O-N 3.32Å; A547-G550 PolarHBondContact O-N 3.43Å
551	I	97.9	Very high	93.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	102.6	170.4	-51.5	-56.3	0	0	0	108.6	T521 F535 M539 P546 A547 I553 T590 L593	T521-I551 HydrophobicContact CG2-CD1 4.22Å; T521-I551 WeakPolarHBondContact OG1-CD1 3.26Å; F535-I551 HydrophobicContact CE1-CG2 4.08Å; F535-I551 HydrophobicContact CZ-CD1 4.22Å; M539-I551 HydrophobicContact CB-CG2 4.07Å; M539-I551 HydrophobicContact CG-CG2 4.14Å; P546-I551 CarbonylContact C-O 3.4Å; P546-I551 HydrophobicContact CB-CB 3.98Å; P546-I551 HydrophobicContact CB-CG2 4.29Å; P546-I551 WeakPolarHBondContact CB-O 3.42Å; P546-I551 WeakPolarHBondContact O-CA 3.35Å; P546-I551 PolarHBondContact O-N 3.48Å; P546-I551 VanDerWaalsContact O-O 3.13Å; A547-I551 WeakPolarHBondContact CA-O 3.29Å; A547-I551 PolarHBondContact N-O 2.81Å; I551-I553 HydrophobicContact CG2-CG1 4.29Å; I551-T590 HydrophobicContact CD1-CG2 4.35Å; I551-L593 HydrophobicContact CD1-CD1 4.44Å; I551-L593 HydrophobicContact CG1-CD1 3.67Å
552	Y	98.3	Very high	93.7	Very high	27 Å²	27	41.5 Å²	41.5	11%	0.106	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.8	-179.1	-56	-84.5	0	0	0	110.1	L503 P526 S527 V528 T529 A547 I571 F575 Q578 Q586	L503-Y552 HydrophobicContact CD1-CD2 4.27Å; L503-Y552 HydrophobicContact CD1-CE2 4.15Å; P526-Y552 HydrophobicContact CB-CE2 4.41Å; S527-Y552 PolarHBondContact O-N 3.1Å; V528-Y552 CarbonylContact C-O 3.46Å; V528-Y552 VanDerWaalsContact CA-O 3.31Å; V528-Y552 WeakPolarHBondContact CA-O 3.28Å; V528-Y552 HydrophobicContact CG2-CD2 4.24Å; T529-Y552 PolarHBondContact N-O 3.3Å; A547-Y552 HydrophobicContact CB-CD1 4.21Å; A547-Y552 HydrophobicContact CB-CE1 4.41Å; Y552-I571 HydrophobicContact CD1-CG2 3.69Å; Y552-I571 HydrophobicContact CD2-CG2 4.16Å; Y552-I571 HydrophobicContact CE1-CG2 4.28Å; Y552-I571 HydrophobicContact CG-CG2 3.6Å; Y552-F575 HydrophobicContact CE2-CD2 4.29Å; Y552-Q578 PolarHBondContact OH-NE2 3.02Å; Y552-Q586 VanDerWaalsContact OH-CD 3.29Å; Y552-Q586 PolarHBondContact OH-NE2 3.34Å; Y552-Q586 PolarHBondContact OH-OE1 3.28Å
553	I	98.2	Very high	94.2	Very high	34 Å²	34	46 Å²	46	17%	0.174	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.3	-176.6	-52.5	177.9	0	0	0	108.9	T529 N531 G536 Q540 P546 I551	T529-I553 HydrophobicContact CG2-CG1 3.98Å; N531-I553 HydrophobicContact CB-CG2 4.19Å; G536-I553 WeakPolarHBondContact O-CD1 3.44Å; Q540-I553 HydrophobicContact CB-CD1 3.77Å; Q540-I553 HydrophobicContact CG-CD1 4.47Å; P546-I553 HydrophobicContact CB-CD1 4.22Å; P546-I553 HydrophobicContact CG-CD1 4.21Å; I551-I553 HydrophobicContact CG2-CG1 4.29Å
554	V	98.1	Very high	94.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.8	173.6	179.6	0	0	0	0	109	M342 V528 T529 T530 N531 R556 L568 I571	M342-V554 HydrophobicContact CE-CG1 4.16Å; V528-V554 HydrophobicContact CG1-CG2 3.68Å; T529-V554 PolarHBondContact O-N 3.17Å; T530-V554 VanDerWaalsContact CA-O 3.26Å; T530-V554 WeakPolarHBondContact CA-O 3.46Å; T530-V554 HydrophobicContact CG2-CB 4.42Å; N531-V554 PolarHBondContact N-O 3.1Å; N531-V554 VanDerWaalsContact N-O 3.12Å; N531-V554 PolarHBondContact OD1-O 3.21Å; V554-R556 HydrophobicContact CG1-CG 3.99Å; V554-R556 PolarHBondContact O-N 3.01Å; V554-L568 HydrophobicContact CG2-CB 4.17Å; V554-L568 HydrophobicContact CG2-CD1 4.17Å; V554-I571 HydrophobicContact CG2-CD1 3.9Å
555	D	97.2	Very high	95.2	Very high	31 Å²	31	43.5 Å²	43.5	17%	0.166	22%	0.223	C	C	.	.			trans	-81.5	104.6	173.6	-176	-1.2	0	0	0	109.1	N531 R557 F558 R559 S564	N531-D555 PolarHBondContact ND2-OD1 3.22Å; D555-R557 PolarHBondContact OD1-N 2.63Å; D555-R557 VanDerWaalsContact OD1-N 3.14Å; D555-F558 PolarHBondContact OD1-N 3.38Å; D555-R559 HydrophobicContact CB-CG 4.21Å; D555-R559 IonicContact OD2-NE 2.99Å; D555-S564 PolarHBondContact O-OG 2.82Å
556	R	95.6	Very high	95.7	Very high	32 Å²	32	44.6 Å²	44.6	12%	0.121	23%	0.229	C	C	.	.			trans	-109.3	0.5	175.3	-67.7	-162.5	70.2	140.4	2.3	112.9	M342 P507 T530 N531 L532 V554	M342-R556 HydrophobicContact CE-CG 4.39Å; M342-R556 PolarHBondContact SD-NH1 2.81Å; P507-R556 PolarHBondContact O-NH1 2.8Å; T530-R556 VanDerWaalsContact CG2-CD 3.5Å; T530-R556 HydrophobicContact CG2-CG 3.89Å; N531-R556 PolarHBondContact OD1-N 2.81Å; L532-R556 HydrophobicContact CD1-CB 3.75Å; L532-R556 WeakPolarHBondContact CD1-O 3.25Å; L532-R556 HydrophobicContact CG-CB 4.19Å; V554-R556 HydrophobicContact CG1-CG 3.99Å; V554-R556 PolarHBondContact O-N 3.01Å
557	R	93.2	Very high	95.9	Very high	60 Å²	60	45.8 Å²	45.8	23%	0.226	23%	0.233	C	C	.	.	S	Bend	trans	-97.6	-42.6	-176.7	-172	171.8	179.1	172.7	0.5	111.9	N531 L532 D555	N531-R557 PolarHBondContact OD1-N 3.18Å; L532-R557 HydrophobicContact CD2-CB 3.72Å; L532-R557 HydrophobicContact CD2-CG 3.9Å; L532-R557 HydrophobicContact CG-CB 4.23Å; D555-R557 PolarHBondContact OD1-N 2.63Å; D555-R557 VanDerWaalsContact OD1-N 3.14Å
558	F	94.1	Very high	96.2	Very high	152 Å²	152	43.8 Å²	43.8	67%	0.667	22%	0.216	S	C	*	.	S	Bend	trans	-112.5	12	-172.7	-51.7	-66.7	0	0	0	112.9	D555	D555-F558 PolarHBondContact OD1-N 3.38Å
559	R	94.3	Very high	96.6	Very high	119 Å²	119	43.3 Å²	43.3	45%	0.449	21%	0.212	S	C	.	.	S	Bend	trans	-130.1	153.7	-179.7	-67.4	-172.8	-176.8	-153.7	-6.9	111.2	D555 E563	D555-R559 HydrophobicContact CB-CG 4.21Å; D555-R559 IonicContact OD2-NE 2.99Å; R559-E563 HydrophobicContact CB-CB 4.07Å
560	S	95.5	Very high	96.9	Very high	49 Å²	49	48.8 Å²	48.8	34%	0.343	24%	0.238	S	C	.	.			trans	-64.4	159.2	172.2	66.1	0	0	0	0	111.6	D562 E563 S564	S560-D562 PolarHBondContact O-N 3.06Å; S560-E563 WeakPolarHBondContact CB-OE2 3.25Å; S560-E563 PolarHBondContact N-OE2 3.22Å; S560-E563 PolarHBondContact O-N 3.3Å; S560-E563 WeakPolarHBondContact OG-CB 3.3Å; S560-E563 VanDerWaalsContact OG-CD 3.27Å; S560-E563 VanDerWaalsContact OG-CG 3.25Å; S560-E563 WeakPolarHBondContact OG-CG 3.39Å; S560-E563 PolarHBondContact OG-N 2.93Å; S560-E563 PolarHBondContact OG-OE2 3Å; S560-S564 WeakPolarHBondContact O-CB 3.37Å; S560-S564 PolarHBondContact O-N 3.5Å; S560-S564 PolarHBondContact O-OG 2.99Å
561	P	94.5	Very high	97	Very high	101 Å²	101	50.2 Å²	50.2	66%	0.656	25%	0.245	S	C	*	.	H	α-helix	trans	-56.5	-35.5	175.1	-27.8	35.9	0	0	0	113.7	C565	P561-C565 VanDerWaalsContact O-CB 3.32Å; P561-C565 WeakPolarHBondContact O-CB 3.28Å; P561-C565 PolarHBondContact O-N 3.13Å
562	D	96.9	Very high	97.1	Very high	83 Å²	83	50.1 Å²	50.1	44%	0.444	24%	0.244	S	C	.	.	H	α-helix	trans	-70.2	-44	179	-172.5	65.9	0	0	0	112.2	R349 S560 S564 C565 N566	R349-D562 IonicContact CZ-OD1 2.6Å; R349-D562 VanDerWaalsContact CZ-OD1 3.25Å; R349-D562 PolarHBondContact NH1-O 3.21Å; R349-D562 IonicContact NH1-OD1 2.81Å; R349-D562 PolarHBondContact NH1-OD1 3.26Å; R349-D562 IonicContact NH1-OD2 3.87Å; R349-D562 IonicContact NH2-OD1 3.53Å; R349-D562 PolarHBondContact NH2-OD1 3.37Å; S560-D562 PolarHBondContact O-N 3.06Å; D562-S564 VanDerWaalsContact C-N 3.32Å; D562-S564 PolarHBondContact O-N 2.89Å; D562-C565 WeakPolarHBondContact O-CB 3.03Å; D562-C565 PolarHBondContact O-N 2.9Å; D562-N566 WeakPolarHBondContact O-CB 3.2Å; D562-N566 PolarHBondContact O-N 3.4Å; D562-N566 PolarHBondContact O-ND2 3.5Å; D562-N566 VanDerWaalsContact O-ND2 3.14Å; D562-N566 PolarHBondContact OD2-ND2 2.89Å
563	E	97.8	Very high	97.1	Very high	98 Å²	98	50.3 Å²	50.3	46%	0.458	25%	0.245	S	C	.	.	H	α-helix	trans	-63.9	-38.9	175.3	-71	166.3	139.5	0	0	111.9	R559 S560 N566 Q567	R559-E563 HydrophobicContact CB-CB 4.07Å; S560-E563 WeakPolarHBondContact CB-OE2 3.25Å; S560-E563 PolarHBondContact N-OE2 3.22Å; S560-E563 PolarHBondContact O-N 3.3Å; S560-E563 WeakPolarHBondContact OG-CB 3.3Å; S560-E563 VanDerWaalsContact OG-CD 3.27Å; S560-E563 VanDerWaalsContact OG-CG 3.25Å; S560-E563 WeakPolarHBondContact OG-CG 3.39Å; S560-E563 PolarHBondContact OG-N 2.93Å; S560-E563 PolarHBondContact OG-OE2 3Å; E563-N566 PolarHBondContact O-N 2.89Å; E563-Q567 WeakPolarHBondContact O-CB 3.48Å; E563-Q567 PolarHBondContact O-N 3.44Å
564	S	97.9	Very high	97	Very high	2 Å²	2	50 Å²	50	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-44	174.2	-56	0	0	0	0	111.1	D555 S560 D562 Q567 L568	D555-S564 PolarHBondContact O-OG 2.82Å; S560-S564 WeakPolarHBondContact O-CB 3.37Å; S560-S564 PolarHBondContact O-N 3.5Å; S560-S564 PolarHBondContact O-OG 2.99Å; D562-S564 VanDerWaalsContact C-N 3.32Å; D562-S564 PolarHBondContact O-N 2.89Å; S564-Q567 PolarHBondContact O-N 3.07Å; S564-L568 WeakPolarHBondContact O-CB 3.43Å; S564-L568 PolarHBondContact O-N 2.79Å
565	C	97.9	Very high	97	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.02	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-43.9	176.1	-171.4	0	0	0	0	111.4	M342 A346 P561 D562 Q567 L568 T569	M342-C565 HydrophobicContact CG-CB 4.05Å; A346-C565 PolarHBondContact N-SG 3.32Å; P561-C565 VanDerWaalsContact O-CB 3.32Å; P561-C565 WeakPolarHBondContact O-CB 3.28Å; P561-C565 PolarHBondContact O-N 3.13Å; D562-C565 WeakPolarHBondContact O-CB 3.03Å; D562-C565 PolarHBondContact O-N 2.9Å; C565-Q567 PolarHBondContact O-N 3.44Å; C565-L568 PolarHBondContact O-N 3.46Å; C565-T569 PolarHBondContact O-N 3.42Å; C565-T569 PolarHBondContact O-OG1 3.12Å; C565-T569 VanDerWaalsContact O-OG1 3.13Å
566	N	98.2	Very high	97	Very high	66 Å²	66	49 Å²	49	35%	0.353	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-44.5	175	-74.6	-37.2	0	0	0	111.8	R349 D562 E563 L568 T569 Q570	R349-N566 VanDerWaalsContact NH1-CG 3.25Å; R349-N566 PolarHBondContact NH1-OD1 3Å; D562-N566 WeakPolarHBondContact O-CB 3.2Å; D562-N566 PolarHBondContact O-N 3.4Å; D562-N566 PolarHBondContact O-ND2 3.5Å; D562-N566 VanDerWaalsContact O-ND2 3.14Å; D562-N566 PolarHBondContact OD2-ND2 2.89Å; E563-N566 PolarHBondContact O-N 2.89Å; N566-L568 PolarHBondContact O-N 3.16Å; N566-T569 PolarHBondContact O-N 2.57Å; N566-Q570 WeakPolarHBondContact O-CG 3.42Å; N566-Q570 PolarHBondContact O-N 2.7Å
567	Q	98.4	Very high	97.1	Very high	47 Å²	47	53.5 Å²	53.5	22%	0.22	27%	0.268	C	S	.	.	H	α-helix	trans	-60	-46.5	175.7	-173.8	-174.7	14.8	0	0	111.2	E563 S564 C565 T569 Q570 I571	E563-Q567 WeakPolarHBondContact O-CB 3.48Å; E563-Q567 PolarHBondContact O-N 3.44Å; S564-Q567 PolarHBondContact O-N 3.07Å; C565-Q567 PolarHBondContact O-N 3.44Å; Q567-T569 PolarHBondContact O-N 3.02Å; Q567-Q570 PolarHBondContact O-N 2.92Å; Q567-I571 HydrophobicContact CG-CD1 4.09Å; Q567-I571 WeakPolarHBondContact O-CG1 3.47Å; Q567-I571 PolarHBondContact O-N 3.42Å
568	L	98.6	Very high	97.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-47.8	175.5	176.7	59.1	0	0	0	111.1	M342 F343 A346 V505 P507 V528 V554 S564 C565 N566 Q570 I571 L572	M342-L568 HydrophobicContact CE-CB 4.24Å; M342-L568 HydrophobicContact CE-CD2 3.68Å; F343-L568 HydrophobicContact CD2-CD2 4.43Å; A346-L568 HydrophobicContact CB-CB 4.21Å; A346-L568 HydrophobicContact CB-CD2 3.61Å; A346-L568 HydrophobicContact CB-CG 3.74Å; V505-L568 HydrophobicContact CG1-CD1 3.99Å; P507-L568 HydrophobicContact CB-CD2 4.05Å; P507-L568 HydrophobicContact CG-CD2 4.12Å; V528-L568 HydrophobicContact CB-CD1 4.49Å; V528-L568 HydrophobicContact CG1-CD1 3.75Å; V554-L568 HydrophobicContact CG2-CB 4.17Å; V554-L568 HydrophobicContact CG2-CD1 4.17Å; S564-L568 WeakPolarHBondContact O-CB 3.43Å; S564-L568 PolarHBondContact O-N 2.79Å; C565-L568 PolarHBondContact O-N 3.46Å; N566-L568 PolarHBondContact O-N 3.16Å; L568-Q570 VanDerWaalsContact C-N 3.31Å; L568-Q570 PolarHBondContact O-N 2.79Å; L568-I571 PolarHBondContact O-N 2.74Å; L568-L572 HydrophobicContact CD1-CD1 4.23Å; L568-L572 HydrophobicContact CD1-CD2 4.4Å; L568-L572 HydrophobicContact CD1-CG 4.11Å; L568-L572 HydrophobicContact CG-CD1 4.16Å; L568-L572 HydrophobicContact CG-CG 4.44Å; L568-L572 VanDerWaalsContact O-CG 3.3Å; L568-L572 WeakPolarHBondContact O-CG 3.26Å; L568-L572 PolarHBondContact O-N 3.4Å
569	T	98.6	Very high	97.2	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-42.9	176.6	-63.9	0	0	0	0	112.1	A346 R349 L353 C565 N566 Q567 L572 Y573	A346-T569 WeakPolarHBondContact CA-OG1 3.5Å; A346-T569 PolarHBondContact O-OG1 3.03Å; R349-T569 HydrophobicContact CB-CG2 3.71Å; L353-T569 HydrophobicContact CD1-CG2 3.65Å; C565-T569 PolarHBondContact O-N 3.42Å; C565-T569 PolarHBondContact O-OG1 3.12Å; C565-T569 VanDerWaalsContact O-OG1 3.13Å; N566-T569 PolarHBondContact O-N 2.57Å; Q567-T569 PolarHBondContact O-N 3.02Å; T569-L572 PolarHBondContact O-N 3.43Å; T569-Y573 VanDerWaalsContact O-CB 3.3Å; T569-Y573 WeakPolarHBondContact O-CB 3.31Å; T569-Y573 PolarHBondContact O-N 2.86Å
570	Q	98.2	Very high	97.2	Very high	116 Å²	116	50.8 Å²	50.8	54%	0.542	26%	0.263	S	S	.	.	H	α-helix	trans	-65.2	-40.8	178.7	-68.7	-56.6	-24.5	0	0	112.3	N566 Q567 L568 Y573 G574	N566-Q570 WeakPolarHBondContact O-CG 3.42Å; N566-Q570 PolarHBondContact O-N 2.7Å; Q567-Q570 PolarHBondContact O-N 2.92Å; L568-Q570 VanDerWaalsContact C-N 3.31Å; L568-Q570 PolarHBondContact O-N 2.79Å; Q570-Y573 PolarHBondContact O-N 3.39Å; Q570-G574 PolarHBondContact O-N 2.93Å
571	I	98.3	Very high	97	Very high	29 Å²	29	54.9 Å²	54.9	15%	0.149	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-49.1	174.7	-69	161.5	0	0	0	110.3	V528 Y552 V554 Q567 L568 Y573 G574 F575	V528-I571 HydrophobicContact CG2-CG2 4.03Å; Y552-I571 HydrophobicContact CD1-CG2 3.69Å; Y552-I571 HydrophobicContact CD2-CG2 4.16Å; Y552-I571 HydrophobicContact CE1-CG2 4.28Å; Y552-I571 HydrophobicContact CG-CG2 3.6Å; V554-I571 HydrophobicContact CG2-CD1 3.9Å; Q567-I571 HydrophobicContact CG-CD1 4.09Å; Q567-I571 WeakPolarHBondContact O-CG1 3.47Å; Q567-I571 PolarHBondContact O-N 3.42Å; L568-I571 PolarHBondContact O-N 2.74Å; I571-Y573 VanDerWaalsContact C-N 3.34Å; I571-Y573 PolarHBondContact O-N 2.94Å; I571-G574 PolarHBondContact O-N 3.01Å; I571-F575 PolarHBondContact O-N 2.96Å
572	L	98.6	Very high	96.9	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-41.2	179.7	-63.3	177.9	0	0	0	111.9	F327 F343 A346 L347 L350 L503 V505 L568 T569 F575 C576	F327-L572 HydrophobicContact CD2-CD2 4.1Å; F327-L572 HydrophobicContact CE2-CB 4.4Å; F327-L572 HydrophobicContact CE2-CD2 3.87Å; F343-L572 HydrophobicContact CD2-CD1 4.42Å; F343-L572 HydrophobicContact CE2-CD1 4.03Å; A346-L572 HydrophobicContact CB-CD1 4.41Å; L347-L572 HydrophobicContact CD2-CD1 4.3Å; L350-L572 HydrophobicContact CD1-CB 4.31Å; L350-L572 HydrophobicContact CD2-CB 3.95Å; L350-L572 HydrophobicContact CD2-CD1 4.32Å; L503-L572 HydrophobicContact CD2-CD2 3.64Å; V505-L572 HydrophobicContact CG1-CD2 4.44Å; V505-L572 HydrophobicContact CG2-CD2 3.84Å; L568-L572 HydrophobicContact CD1-CD1 4.23Å; L568-L572 HydrophobicContact CD1-CD2 4.4Å; L568-L572 HydrophobicContact CD1-CG 4.11Å; L568-L572 HydrophobicContact CG-CD1 4.16Å; L568-L572 HydrophobicContact CG-CG 4.44Å; L568-L572 VanDerWaalsContact O-CG 3.3Å; L568-L572 WeakPolarHBondContact O-CG 3.26Å; L568-L572 PolarHBondContact O-N 3.4Å; T569-L572 PolarHBondContact O-N 3.43Å; L572-F575 PolarHBondContact O-N 2.92Å; L572-C576 PolarHBondContact O-N 3.15Å; L572-C576 VanDerWaalsContact O-N 3.09Å; L572-C576 PolarHBondContact O-SG 3.31Å
573	Y	98.4	Very high	96.8	Very high	30 Å²	30	52.5 Å²	52.5	12%	0.118	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-45.6	178	-177	-111.2	0	0	0	111.6	L350 L353 L354 H357 T569 Q570 I571 F575 C576 Q577	L350-Y573 HydrophobicContact CD1-CD2 4.12Å; L353-Y573 HydrophobicContact CB-CD2 4.02Å; L353-Y573 HydrophobicContact CB-CE2 4.1Å; L353-Y573 HydrophobicContact CD1-CD2 4.37Å; L353-Y573 HydrophobicContact CD1-CG 4.21Å; L354-Y573 HydrophobicContact CD2-CD2 4.15Å; L354-Y573 HydrophobicContact CD2-CE2 4.09Å; H357-Y573 PolarHBondContact CD2-OH 3.1Å; T569-Y573 VanDerWaalsContact O-CB 3.3Å; T569-Y573 WeakPolarHBondContact O-CB 3.31Å; T569-Y573 PolarHBondContact O-N 2.86Å; Q570-Y573 PolarHBondContact O-N 3.39Å; I571-Y573 VanDerWaalsContact C-N 3.34Å; I571-Y573 PolarHBondContact O-N 2.94Å; Y573-F575 VanDerWaalsContact C-N 3.32Å; Y573-F575 PolarHBondContact O-N 2.94Å; Y573-C576 WeakPolarHBondContact O-CB 3.48Å; Y573-C576 PolarHBondContact O-N 3.44Å; Y573-C576 VanDerWaalsContact O-N 3.09Å; Y573-Q577 PolarHBondContact O-N 3.28Å; Y573-Q577 PolarHBondContact OH-NE2 3.11Å
574	G	97.7	Very high	96.5	Very high	29 Å²	29	50.5 Å²	50.5	30%	0.299	24%	0.239	S	C	.	.	H	α-helix	trans	-59.9	-39.9	174.7	0	0	0	0	0	112.7	Q570 I571 C576 Q577	Q570-G574 PolarHBondContact O-N 2.93Å; I571-G574 PolarHBondContact O-N 3.01Å; G574-C576 VanDerWaalsContact C-N 3.32Å; G574-C576 PolarHBondContact O-N 2.83Å; G574-Q577 PolarHBondContact O-N 3.11Å
575	F	97.8	Very high	96.2	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-37.9	173.9	-169.9	-87.3	0	0	0	112.3	L325 F327 H502 L503 P526 Y552 I571 L572 Y573 Q577 Q578 R583	L325-F575 HydrophobicContact CD1-CD1 4.12Å; L325-F575 HydrophobicContact CD1-CE1 4.24Å; F327-F575 AromaticContact CE1-CD1 3.67Å; F327-F575 HydrophobicContact CE1-CD1 3.67Å; F327-F575 AromaticContact CE1-CE1 3.78Å; F327-F575 HydrophobicContact CE1-CE1 3.78Å; F327-F575 AromaticContact CZ-CD1 3.75Å; F327-F575 HydrophobicContact CZ-CD1 3.75Å; F327-F575 HydrophobicContact CZ-CE1 4.34Å; H502-F575 HydrophobicContact CB-CE1 4.09Å; H502-F575 HydrophobicContact CB-CZ 4.29Å; H502-F575 WeakPolarHBondContact O-CZ 3.47Å; L503-F575 HydrophobicContact CB-CE1 4.18Å; L503-F575 HydrophobicContact CB-CZ 4.18Å; L503-F575 HydrophobicContact CD1-CD2 4.23Å; L503-F575 HydrophobicContact CD1-CE2 4.15Å; L503-F575 HydrophobicContact CD2-CD1 4.33Å; L503-F575 HydrophobicContact CD2-CD2 4.47Å; L503-F575 HydrophobicContact CD2-CG 4.18Å; P526-F575 HydrophobicContact CB-CE2 4.28Å; P526-F575 HydrophobicContact CG-CE2 4.38Å; Y552-F575 HydrophobicContact CE2-CD2 4.29Å; I571-F575 PolarHBondContact O-N 2.96Å; L572-F575 PolarHBondContact O-N 2.92Å; Y573-F575 VanDerWaalsContact C-N 3.32Å; Y573-F575 PolarHBondContact O-N 2.94Å; F575-Q577 PolarHBondContact O-N 3.36Å; F575-Q578 WeakPolarHBondContact O-CB 3.38Å; F575-Q578 PolarHBondContact O-N 2.69Å; F575-R583 HydrophobicContact CZ-CG 4.26Å
576	C	97.4	Very high	95.9	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-24	176.9	-66.6	0	0	0	0	113.3	L325 L354 V361 V363 L572 Y573 G574 Q578	L325-C576 HydrophobicContact CD1-CB 4.38Å; L354-C576 HydrophobicContact CD2-CB 4.29Å; V361-C576 HydrophobicContact CG1-CB 4.35Å; V363-C576 VanDerWaalsContact CG2-SG 3.58Å; L572-C576 PolarHBondContact O-N 3.15Å; L572-C576 VanDerWaalsContact O-N 3.09Å; L572-C576 PolarHBondContact O-SG 3.31Å; Y573-C576 WeakPolarHBondContact O-CB 3.48Å; Y573-C576 PolarHBondContact O-N 3.44Å; Y573-C576 VanDerWaalsContact O-N 3.09Å; G574-C576 VanDerWaalsContact C-N 3.32Å; G574-C576 PolarHBondContact O-N 2.83Å; C576-Q578 VanDerWaalsContact C-N 3.33Å
577	Q	95.9	Very high	95.7	Very high	126 Å²	126	50 Å²	50	59%	0.589	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-12.1	178.4	-66.7	176.9	-31.5	0	0	113.3	Y573 G574 F575	Y573-Q577 PolarHBondContact O-N 3.28Å; Y573-Q577 PolarHBondContact OH-NE2 3.11Å; G574-Q577 PolarHBondContact O-N 3.11Å; F575-Q577 PolarHBondContact O-N 3.36Å
578	Q	95.6	Very high	95.3	Very high	38 Å²	38	48.2 Å²	48.2	18%	0.178	23%	0.226	C	C	.	.			trans	-66.3	146.6	-178.7	-65.9	-178.7	-8.8	0	0	112.2	Y552 F575 C576 Q582 R583	Y552-Q578 PolarHBondContact OH-NE2 3.02Å; F575-Q578 WeakPolarHBondContact O-CB 3.38Å; F575-Q578 PolarHBondContact O-N 2.69Å; C576-Q578 VanDerWaalsContact C-N 3.33Å; Q578-Q582 HydrophobicContact CB-CB 4.2Å; Q578-R583 HydrophobicContact CB-CG 4.04Å; Q578-R583 PolarHBondContact O-NH1 3.19Å
579	S	95.6	Very high	94.9	Very high	53 Å²	53	49.7 Å²	49.7	37%	0.371	23%	0.231	S	C	.	.			trans	-76.1	167.2	169.6	81.7	0	0	0	0	111.7	R581 Q582 R583	S579-R581 VanDerWaalsContact C-N 3.29Å; S579-R581 PolarHBondContact O-N 3.2Å; S579-R581 PolarHBondContact OG-N 3.44Å; S579-Q582 PolarHBondContact O-N 2.8Å; S579-Q582 WeakPolarHBondContact OG-CG 3.43Å; S579-Q582 PolarHBondContact OG-N 3.29Å; S579-Q582 VanDerWaalsContact OG-N 3.17Å; S579-R583 PolarHBondContact O-N 3.26Å
580	R	93	Very high	94.6	Very high	183 Å²	183	49.5 Å²	49.5	69%	0.691	23%	0.23	S	C	*	.	H	α-helix	trans	-60.3	-39.7	174.1	-176.9	179	177.8	178.1	-1	111.7	R583 I584	R580-R583 PolarHBondContact O-N 2.76Å; R580-I584 HydrophobicContact CG-CD1 4.1Å; R580-I584 WeakPolarHBondContact O-CG1 3.39Å; R580-I584 PolarHBondContact O-N 2.94Å; R580-I584 VanDerWaalsContact O-N 3.1Å
581	R	91.9	Very high	94.2	Very high	135 Å²	135	45.5 Å²	45.5	51%	0.509	21%	0.212	S	C	.	.	H	α-helix	trans	-63.6	-47.5	177.9	-175.7	177.1	177.7	177.8	-0.7	110.8	S579 R583 I584 I585	S579-R581 VanDerWaalsContact C-N 3.29Å; S579-R581 PolarHBondContact O-N 3.2Å; S579-R581 PolarHBondContact OG-N 3.44Å; R581-R583 VanDerWaalsContact C-N 3.33Å; R581-R583 PolarHBondContact O-N 2.9Å; R581-I584 PolarHBondContact O-N 3.08Å; R581-I584 VanDerWaalsContact O-N 3.15Å; R581-I585 HydrophobicContact CG-CD1 4.09Å; R581-I585 WeakPolarHBondContact O-CG1 3.34Å; R581-I585 PolarHBondContact O-N 3.28Å
582	Q	93.1	Very high	93.7	Very high	103 Å²	103	45.1 Å²	45.1	48%	0.481	21%	0.208	S	C	.	.	H	α-helix	trans	-59.4	-42.2	177.4	-73.5	169.7	-26.9	0	0	112.2	Q578 S579 I584 I585 Q586	Q578-Q582 HydrophobicContact CB-CB 4.2Å; S579-Q582 PolarHBondContact O-N 2.8Å; S579-Q582 WeakPolarHBondContact OG-CG 3.43Å; S579-Q582 PolarHBondContact OG-N 3.29Å; S579-Q582 VanDerWaalsContact OG-N 3.17Å; Q582-I584 PolarHBondContact O-N 3.03Å; Q582-I585 PolarHBondContact O-N 2.67Å; Q582-Q586 WeakPolarHBondContact O-CB 3.07Å; Q582-Q586 PolarHBondContact O-N 2.66Å
583	R	94.6	Very high	93.2	Very high	31 Å²	31	45.1 Å²	45.1	12%	0.117	21%	0.208	C	C	.	.	H	α-helix	trans	-63.8	-38.7	175.4	-75.7	-168.9	-64	-83.1	-2.1	113.3	F575 Q578 S579 R580 R581 Q586 R587	F575-R583 HydrophobicContact CZ-CG 4.26Å; Q578-R583 HydrophobicContact CB-CG 4.04Å; Q578-R583 PolarHBondContact O-NH1 3.19Å; S579-R583 PolarHBondContact O-N 3.26Å; R580-R583 PolarHBondContact O-N 2.76Å; R581-R583 VanDerWaalsContact C-N 3.33Å; R581-R583 PolarHBondContact O-N 2.9Å; R583-Q586 PolarHBondContact O-N 3.27Å; R583-R587 WeakPolarHBondContact O-CG 3.46Å; R583-R587 PolarHBondContact O-N 3.45Å
584	I	91.9	Very high	92.7	Very high	56 Å²	56	43.8 Å²	43.8	29%	0.287	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-48.6	176.7	-69.6	160.6	0	0	0	109.9	Q295 R580 R581 Q582 Q586 R587 N588	Q295-I584 PolarHBondContact NE2-O 3.03Å; R580-I584 HydrophobicContact CG-CD1 4.1Å; R580-I584 WeakPolarHBondContact O-CG1 3.39Å; R580-I584 PolarHBondContact O-N 2.94Å; R580-I584 VanDerWaalsContact O-N 3.1Å; R581-I584 PolarHBondContact O-N 3.08Å; R581-I584 VanDerWaalsContact O-N 3.15Å; Q582-I584 PolarHBondContact O-N 3.03Å; I584-Q586 VanDerWaalsContact C-N 3.34Å; I584-Q586 PolarHBondContact O-N 3.3Å; I584-R587 VanDerWaalsContact CG1-NH2 3.29Å; I584-R587 PolarHBondContact O-N 3.46Å; I584-N588 PolarHBondContact O-N 3.28Å; I584-N588 PolarHBondContact O-OD1 3.44Å
585	I	90.9	Very high	92.2	Very high	30 Å²	30	43.2 Å²	43.2	15%	0.154	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-46.3	177.5	-65.8	166.4	0	0	0	110.5	R581 Q582 R587 N588 R589 Y669	R581-I585 HydrophobicContact CG-CD1 4.09Å; R581-I585 WeakPolarHBondContact O-CG1 3.34Å; R581-I585 PolarHBondContact O-N 3.28Å; Q582-I585 PolarHBondContact O-N 2.67Å; I585-R587 VanDerWaalsContact C-N 3.34Å; I585-R587 PolarHBondContact O-N 3.44Å; I585-N588 PolarHBondContact O-N 3.24Å; I585-R589 WeakPolarHBondContact O-CG 3.25Å; I585-R589 PolarHBondContact O-N 3.02Å; I585-Y669 HydrophobicContact CG1-CE1 4.48Å; I585-Y669 HydrophobicContact CG1-CE2 4.4Å; I585-Y669 HydrophobicContact CG2-CE2 4.14Å
586	Q	92.4	Very high	91.7	Very high	15 Å²	15	43.2 Å²	43.2	7%	0.07	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-41.9	178.7	-175.6	165.7	72.6	0	0	112	P526 A547 Y552 Q582 R583 I584 N588 R589 T590	P526-Q586 HydrophobicContact CG-CG 3.94Å; A547-Q586 PolarHBondContact O-NE2 2.95Å; Y552-Q586 VanDerWaalsContact OH-CD 3.29Å; Y552-Q586 PolarHBondContact OH-NE2 3.34Å; Y552-Q586 PolarHBondContact OH-OE1 3.28Å; Q582-Q586 WeakPolarHBondContact O-CB 3.07Å; Q582-Q586 PolarHBondContact O-N 2.66Å; R583-Q586 PolarHBondContact O-N 3.27Å; I584-Q586 VanDerWaalsContact C-N 3.34Å; I584-Q586 PolarHBondContact O-N 3.3Å; Q586-N588 PolarHBondContact O-N 2.79Å; Q586-R589 PolarHBondContact O-N 2.89Å; Q586-T590 PolarHBondContact O-N 3.15Å; Q586-T590 PolarHBondContact O-OG1 3.37Å
587	R	93	Very high	91.4	Very high	16 Å²	16	43 Å²	43	6%	0.06	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-42.4	175	-76.6	-161.4	-63.5	-96.4	-0.6	113	F294 Q295 H298 G524 P526 R583 I584 I585 R589 T590 E591	F294-R587 HydrophobicContact CE2-CB 4.26Å; Q295-R587 VanDerWaalsContact OE1-CZ 3.29Å; H298-R587 VanDerWaalsContact CD2-CZ 3.41Å; H298-R587 PolarHBondContact CD2-NH1 3.31Å; H298-R587 PolarHBondContact CD2-NH2 3.05Å; H298-R587 PolarHBondContact NE2-NH1 3.49Å; G524-R587 WeakPolarHBondContact O-CA 3.45Å; G524-R587 WeakPolarHBondContact O-CB 3.23Å; G524-R587 WeakPolarHBondContact O-CD 3.42Å; G524-R587 WeakPolarHBondContact O-CG 3.32Å; P526-R587 HydrophobicContact CG-CG 4.45Å; R583-R587 WeakPolarHBondContact O-CG 3.46Å; R583-R587 PolarHBondContact O-N 3.45Å; I584-R587 VanDerWaalsContact CG1-NH2 3.29Å; I584-R587 PolarHBondContact O-N 3.46Å; I585-R587 VanDerWaalsContact C-N 3.34Å; I585-R587 PolarHBondContact O-N 3.44Å; R587-R589 VanDerWaalsContact C-N 3.34Å; R587-T590 PolarHBondContact O-N 2.8Å; R587-E591 PolarHBondContact O-N 3.15Å
588	N	90	Very high	91.1	Very high	9 Å²	9	37.3 Å²	37.3	5%	0.048	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-46.6	175.7	-70.8	7.4	0	0	0	110.8	F294 Q295 I584 I585 Q586 T590 E591 R592 E671	F294-N588 VanDerWaalsContact CZ-OD1 3.28Å; F294-N588 WeakPolarHBondContact CZ-OD1 3.32Å; Q295-N588 PolarHBondContact NE2-OD1 3.03Å; I584-N588 PolarHBondContact O-N 3.28Å; I584-N588 PolarHBondContact O-OD1 3.44Å; I585-N588 PolarHBondContact O-N 3.24Å; Q586-N588 PolarHBondContact O-N 2.79Å; N588-T590 PolarHBondContact O-N 3.33Å; N588-E591 PolarHBondContact O-N 3.48Å; N588-R592 WeakPolarHBondContact O-CG 3.38Å; N588-R592 PolarHBondContact O-N 2.94Å; N588-E671 WeakPolarHBondContact CB-OE1 3.31Å; N588-E671 PolarHBondContact ND2-OE1 3.34Å; N588-E671 PolarHBondContact ND2-OE2 3.01Å; N588-E671 VanDerWaalsContact ND2-OE2 3.12Å
589	R	90.1	Very high	90.9	Very high	30 Å²	30	35.6 Å²	35.6	11%	0.113	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-43.4	175.3	-66.7	178.6	-172.9	162.8	4.1	112.1	A548 Y549 I585 Q586 R587 E591 R592 S642 V643 E674	A548-R589 WeakPolarHBondContact O-CD 3.41Å; A548-R589 PolarHBondContact O-NH1 2.88Å; Y549-R589 HydrophobicContact CD1-CB 3.79Å; Y549-R589 WeakPolarHBondContact CD1-O 3.23Å; Y549-R589 HydrophobicContact CE1-CB 4.33Å; I585-R589 WeakPolarHBondContact O-CG 3.25Å; I585-R589 PolarHBondContact O-N 3.02Å; Q586-R589 PolarHBondContact O-N 2.89Å; R587-R589 VanDerWaalsContact C-N 3.34Å; R589-E591 VanDerWaalsContact C-N 3.31Å; R589-E591 PolarHBondContact O-N 3.4Å; R589-R592 WeakPolarHBondContact O-CB 3.04Å; R589-R592 PolarHBondContact O-N 2.91Å; R589-S642 PolarHBondContact NH2-OG 3.34Å; R589-V643 VanDerWaalsContact NH1-CG2 3.33Å; R589-E674 IonicContact NE-OE1 3.6Å
590	T	92.8	Very high	90.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-43.7	177.1	-55.9	0	0	0	0	111.6	T521 Y549 I551 Q586 R587 N588 R592 L593	T521-T590 HydrophobicContact CG2-CG2 4.09Å; T521-T590 WeakPolarHBondContact CG2-O 3.26Å; Y549-T590 VanDerWaalsContact O-CA 3.23Å; Y549-T590 WeakPolarHBondContact O-CA 3.39Å; Y549-T590 WeakPolarHBondContact O-CB 3.35Å; Y549-T590 PolarHBondContact O-N 3.3Å; Y549-T590 PolarHBondContact O-OG1 2.9Å; I551-T590 HydrophobicContact CD1-CG2 4.35Å; Q586-T590 PolarHBondContact O-N 3.15Å; Q586-T590 PolarHBondContact O-OG1 3.37Å; R587-T590 PolarHBondContact O-N 2.8Å; N588-T590 PolarHBondContact O-N 3.33Å; T590-R592 VanDerWaalsContact C-N 3.3Å; T590-R592 PolarHBondContact O-N 3.27Å; T590-L593 WeakPolarHBondContact O-CB 3.31Å; T590-L593 PolarHBondContact O-N 3.4Å; T590-L593 VanDerWaalsContact O-N 3.16Å
591	E	89.7	Confident	90.1	Very high	33 Å²	33	31 Å²	31	15%	0.154	13%	0.133	C	C	.	.	H	α-helix	trans	-62.6	-35.6	179.4	-166.7	-79	160.6	0	0	112.2	F294 R587 N588 R589 L593 S594	F294-E591 HydrophobicContact CD1-CG 4.11Å; F294-E591 HydrophobicContact CE1-CB 4.21Å; F294-E591 HydrophobicContact CE1-CG 4Å; F294-E591 HydrophobicContact CE2-CB 4.35Å; F294-E591 HydrophobicContact CG-CG 4.5Å; F294-E591 HydrophobicContact CZ-CB 4Å; F294-E591 HydrophobicContact CZ-CG 4.25Å; R587-E591 PolarHBondContact O-N 3.15Å; N588-E591 PolarHBondContact O-N 3.48Å; R589-E591 VanDerWaalsContact C-N 3.31Å; R589-E591 PolarHBondContact O-N 3.4Å; E591-L593 PolarHBondContact O-N 2.95Å; E591-L593 VanDerWaalsContact O-N 3.16Å; E591-S594 WeakPolarHBondContact O-CB 3.35Å; E591-S594 PolarHBondContact O-N 3.05Å; E591-S594 PolarHBondContact O-OG 2.8Å
592	R	86.8	Confident	90.1	Very high	20 Å²	20	24.6 Å²	24.6	8%	0.075	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-26.4	175.8	-66.3	179.1	-170.6	156.1	9.2	113.9	N588 R589 T590 S594 Y669 E674 D678	N588-R592 WeakPolarHBondContact O-CG 3.38Å; N588-R592 PolarHBondContact O-N 2.94Å; R589-R592 WeakPolarHBondContact O-CB 3.04Å; R589-R592 PolarHBondContact O-N 2.91Å; T590-R592 VanDerWaalsContact C-N 3.3Å; T590-R592 PolarHBondContact O-N 3.27Å; R592-S594 PolarHBondContact O-N 3.35Å; R592-Y669 PolarHBondContact NH2-OH 3.29Å; R592-E674 IonicContact CZ-OE2 3.35Å; R592-E674 VanDerWaalsContact CZ-OE2 3.3Å; R592-E674 IonicContact NH1-OE1 2.84Å; R592-E674 IonicContact NH1-OE2 3.25Å; R592-E674 PolarHBondContact NH1-OE2 2.63Å; R592-E674 IonicContact NH2-OE2 3.48Å; R592-E674 PolarHBondContact NH2-OE2 3.01Å; R592-D678 IonicContact NH1-OD2 3.17Å; R592-D678 PolarHBondContact NH1-OD2 2.75Å
593	L	89.6	Confident	89.9	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-75.4	-11.9	175.8	-64	-175.5	0	0	0	112.9	T521 M539 V543 Y549 I551 T590 E591 D595 L596 Y637	T521-L593 HydrophobicContact CG2-CB 3.81Å; M539-L593 HydrophobicContact SD-CD1 4.45Å; V543-L593 HydrophobicContact CG1-CD2 4.47Å; V543-L593 HydrophobicContact CG2-CD1 4.36Å; V543-L593 HydrophobicContact CG2-CD2 3.96Å; Y549-L593 VanDerWaalsContact CB-CD1 3.47Å; Y549-L593 HydrophobicContact CD1-CD1 4.36Å; Y549-L593 HydrophobicContact CD1-CD2 3.94Å; Y549-L593 HydrophobicContact CD1-CG 3.96Å; Y549-L593 HydrophobicContact CE1-CD2 4.38Å; Y549-L593 HydrophobicContact CG-CD1 4Å; Y549-L593 HydrophobicContact CG-CD2 4.09Å; Y549-L593 HydrophobicContact CG-CG 4.1Å; I551-L593 HydrophobicContact CD1-CD1 4.44Å; I551-L593 HydrophobicContact CG1-CD1 3.67Å; T590-L593 WeakPolarHBondContact O-CB 3.31Å; T590-L593 PolarHBondContact O-N 3.4Å; T590-L593 VanDerWaalsContact O-N 3.16Å; E591-L593 PolarHBondContact O-N 2.95Å; E591-L593 VanDerWaalsContact O-N 3.16Å; L593-D595 PolarHBondContact O-N 3.26Å; L593-L596 HydrophobicContact CD2-CD1 4.06Å; L593-L596 WeakPolarHBondContact O-CB 3.32Å; L593-L596 PolarHBondContact O-N 3.49Å; L593-L596 VanDerWaalsContact O-N 3.08Å; L593-Y637 HydrophobicContact CD2-CD1 3.99Å; L593-Y637 HydrophobicContact CD2-CD2 4.29Å; L593-Y637 HydrophobicContact CD2-CE1 4.25Å; L593-Y637 HydrophobicContact CD2-CG 4Å
594	S	87.9	Confident	89.5	Confident	3 Å²	3	21.4 Å²	21.4	2%	0.021	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-54.5	-41.1	-179.5	69.9	0	0	0	0	111.2	I285 E591 R592 L596 L597 D598	I285-S594 WeakPolarHBondContact CD1-O 3.45Å; E591-S594 WeakPolarHBondContact O-CB 3.35Å; E591-S594 PolarHBondContact O-N 3.05Å; E591-S594 PolarHBondContact O-OG 2.8Å; R592-S594 PolarHBondContact O-N 3.35Å; S594-L596 PolarHBondContact O-N 3.25Å; S594-L596 VanDerWaalsContact O-N 3.07Å; S594-L597 WeakPolarHBondContact O-CA 3.25Å; S594-L597 WeakPolarHBondContact O-CB 3.24Å; S594-L597 PolarHBondContact O-N 3.02Å; S594-D598 PolarHBondContact O-N 3.23Å
595	D	85.4	Confident	89.4	Confident	17 Å²	17	19.8 Å²	19.8	9%	0.091	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.5	179.6	-79.5	-36.6	0	0	0	114.3	S11 L12 K287 L593 L597	S11-D595 PolarHBondContact OG-OD2 3.01Å; L12-D595 HydrophobicContact CD2-CB 4.11Å; L12-D595 HydrophobicContact CG-CB 4.3Å; K287-D595 WeakPolarHBondContact CE-OD1 3.37Å; K287-D595 VanDerWaalsContact NZ-CG 3.33Å; K287-D595 IonicContact NZ-OD1 3.17Å; K287-D595 PolarHBondContact NZ-OD1 3.36Å; K287-D595 IonicContact NZ-OD2 3.54Å; K287-D595 PolarHBondContact NZ-OD2 3.09Å; L593-D595 PolarHBondContact O-N 3.26Å; D595-L597 VanDerWaalsContact C-N 3.26Å; D595-L597 PolarHBondContact O-N 3.29Å
596	L	88.1	Confident	89.5	Confident	4 Å²	4	18.4 Å²	18.4	2%	0.021	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-73	-19.2	175.1	-60.2	180	0	0	0	113.3	V543 L593 S594 Y601 F635 Y637	V543-L596 HydrophobicContact CG2-CD1 4.04Å; L593-L596 HydrophobicContact CD2-CD1 4.06Å; L593-L596 WeakPolarHBondContact O-CB 3.32Å; L593-L596 PolarHBondContact O-N 3.49Å; L593-L596 VanDerWaalsContact O-N 3.08Å; S594-L596 PolarHBondContact O-N 3.25Å; S594-L596 VanDerWaalsContact O-N 3.07Å; L596-Y601 WeakPolarHBondContact O-CD1 3.47Å; L596-F635 HydrophobicContact CD2-CE1 3.53Å; L596-F635 HydrophobicContact CD2-CZ 3.93Å; L596-Y637 HydrophobicContact CD1-CD2 4.05Å; L596-Y637 HydrophobicContact CD1-CG 4.47Å; L596-Y637 HydrophobicContact CD2-CD2 4.4Å; L596-Y637 HydrophobicContact CG-CD2 4.43Å
597	L	91.1	Very high	89.3	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-100.9	0	-178.1	-59	171.8	0	0	0	112.2	G282 L283 W513 A518 T521 V522 F535 F538 M539 S594 D595	G282-L597 CarbonylContact C-O 3.52Å; G282-L597 WeakPolarHBondContact CA-O 3.26Å; L283-L597 PolarHBondContact N-O 3.45Å; W513-L597 HydrophobicContact CZ2-CD2 4.49Å; A518-L597 HydrophobicContact CB-CD1 4.18Å; T521-L597 HydrophobicContact CG2-CD1 3.9Å; V522-L597 HydrophobicContact CG2-CB 4.49Å; V522-L597 HydrophobicContact CG2-CD1 4.35Å; F535-L597 HydrophobicContact CD2-CD2 4.33Å; F535-L597 HydrophobicContact CE2-CD1 3.91Å; F535-L597 HydrophobicContact CE2-CD2 4.07Å; F538-L597 HydrophobicContact CD1-CD2 4.26Å; F538-L597 HydrophobicContact CE1-CD2 3.99Å; M539-L597 HydrophobicContact CE-CD1 3.76Å; M539-L597 HydrophobicContact CE-CD2 3.91Å; M539-L597 HydrophobicContact CE-CG 3.96Å; S594-L597 WeakPolarHBondContact O-CA 3.25Å; S594-L597 WeakPolarHBondContact O-CB 3.24Å; S594-L597 PolarHBondContact O-N 3.02Å; D595-L597 VanDerWaalsContact C-N 3.26Å; D595-L597 PolarHBondContact O-N 3.29Å
598	D	90.6	Very high	89.1	Confident	8 Å²	8	20 Å²	20	4%	0.043	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-72.5	140.4	178.9	-161.9	-67.2	0	0	0	111	L283 I285 S594 R600 Y601 L602	L283-D598 WeakPolarHBondContact O-CA 3.02Å; I285-D598 WeakPolarHBondContact CB-OD2 3.08Å; I285-D598 HydrophobicContact CD1-CB 3.7Å; I285-D598 HydrophobicContact CG1-CB 4.2Å; S594-D598 PolarHBondContact O-N 3.23Å; D598-R600 PolarHBondContact O-N 3.34Å; D598-R600 VanDerWaalsContact O-N 3.15Å; D598-R600 VanDerWaalsContact OD1-CB 3.31Å; D598-R600 WeakPolarHBondContact OD1-CB 3.45Å; D598-R600 WeakPolarHBondContact OD1-CG 3.45Å; D598-R600 PolarHBondContact OD1-N 2.98Å; D598-Y601 PolarHBondContact O-N 3.41Å; D598-L602 PolarHBondContact O-N 2.89Å
599	W	90.4	Very high	89.2	Confident	1 Å²	1	19.5 Å²	19.5	0%	0.004	8%	0.084	C	C	.	.	H	α-helix	trans	-57.6	-23.1	172.5	-83	123.7	0	0	0	114.2	V47 T50 K51 I54 G282 L283 Y601 L602 G603 Y606	V47-W599 HydrophobicContact CG1-CH2 4.04Å; V47-W599 HydrophobicContact CG1-CZ2 4.07Å; T50-W599 PolarHBondContact OG1-NE1 2.98Å; K51-W599 HydrophobicContact CB-CD2 4Å; K51-W599 HydrophobicContact CB-CE3 4.31Å; K51-W599 HydrophobicContact CB-CH2 4.08Å; K51-W599 HydrophobicContact CB-CZ2 3.73Å; K51-W599 HydrophobicContact CB-CZ3 4.36Å; K51-W599 HydrophobicContact CD-CE3 4.35Å; K51-W599 HydrophobicContact CD-CH2 3.96Å; K51-W599 HydrophobicContact CD-CZ2 4.48Å; K51-W599 HydrophobicContact CD-CZ3 3.89Å; K51-W599 HydrophobicContact CG-CD2 4.07Å; K51-W599 HydrophobicContact CG-CE3 3.93Å; K51-W599 HydrophobicContact CG-CH2 4.12Å; K51-W599 HydrophobicContact CG-CZ2 4.25Å; K51-W599 HydrophobicContact CG-CZ3 3.96Å; I54-W599 HydrophobicContact CB-CB 4.25Å; I54-W599 HydrophobicContact CG2-CB 3.83Å; I54-W599 HydrophobicContact CG2-CG 4.36Å; G282-W599 VanDerWaalsContact O-CE2 3.23Å; G282-W599 WeakPolarHBondContact O-CZ2 2.82Å; G282-W599 PolarHBondContact O-NE1 3.28Å; L283-W599 PolarHBondContact O-N 3.15Å; W599-Y601 PolarHBondContact O-N 3.23Å; W599-L602 HydrophobicContact CE3-CB 4.22Å; W599-L602 HydrophobicContact CZ3-CB 4.45Å; W599-G603 VanDerWaalsContact O-CA 3.23Å; W599-G603 WeakPolarHBondContact O-CA 3.28Å; W599-G603 PolarHBondContact O-N 3.44Å; W599-Y606 HydrophobicContact CH2-CE2 4.03Å; W599-Y606 HydrophobicContact CZ3-CD2 4.13Å; W599-Y606 AromaticContact CZ3-CE2 3.72Å; W599-Y606 HydrophobicContact CZ3-CE2 3.72Å
600	R	87.4	Confident	89.3	Confident	134 Å²	134	18.2 Å²	18.2	51%	0.506	8%	0.079	S	C	.	.	H	α-helix	trans	-61.5	-31.6	171.1	-69.1	172.1	-175.1	-167.9	3.9	112.9	I54 D598	I54-R600 HydrophobicContact CD1-CG 4.17Å; D598-R600 PolarHBondContact O-N 3.34Å; D598-R600 VanDerWaalsContact O-N 3.15Å; D598-R600 VanDerWaalsContact OD1-CB 3.31Å; D598-R600 WeakPolarHBondContact OD1-CB 3.45Å; D598-R600 WeakPolarHBondContact OD1-CG 3.45Å; D598-R600 PolarHBondContact OD1-N 2.98Å
601	Y	85.3	Confident	89.2	Confident	7 Å²	7	19.2 Å²	19.2	3%	0.027	8%	0.083	C	C	.	.	H	α-helix	trans	-90.8	-52.1	174.7	-179.1	-117.4	0	0	0	110.8	L15 L596 D598 W599 G603 R604	L15-Y601 HydrophobicContact CD1-CD2 3.28Å; L15-Y601 HydrophobicContact CD1-CE2 3.58Å; L15-Y601 HydrophobicContact CD1-CG 4.12Å; L15-Y601 HydrophobicContact CD2-CD2 4.16Å; L15-Y601 HydrophobicContact CD2-CE2 3.58Å; L15-Y601 HydrophobicContact CG-CD2 4.34Å; L15-Y601 HydrophobicContact CG-CE2 4.18Å; L596-Y601 WeakPolarHBondContact O-CD1 3.47Å; D598-Y601 PolarHBondContact O-N 3.41Å; W599-Y601 PolarHBondContact O-N 3.23Å; Y601-G603 VanDerWaalsContact C-N 3.32Å; Y601-G603 PolarHBondContact O-N 3.44Å; Y601-R604 WeakPolarHBondContact O-CB 3.44Å; Y601-R604 VanDerWaalsContact O-CG 3.29Å; Y601-R604 WeakPolarHBondContact O-CG 3.33Å; Y601-R604 PolarHBondContact O-N 2.91Å
602	L	90.3	Very high	89.2	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-73.9	-21.1	-173.4	-64.7	180	0	0	0	113.9	P280 G282 F538 D598 W599 R604 Y605	P280-L602 HydrophobicContact CB-CD1 4.35Å; P280-L602 HydrophobicContact CB-CD2 4Å; P280-L602 HydrophobicContact CG-CD2 4.21Å; G282-L602 VanDerWaalsContact CA-CD1 3.48Å; F538-L602 HydrophobicContact CE2-CD2 3.89Å; F538-L602 HydrophobicContact CZ-CD2 3.76Å; D598-L602 PolarHBondContact O-N 2.89Å; W599-L602 HydrophobicContact CE3-CB 4.22Å; W599-L602 HydrophobicContact CZ3-CB 4.45Å; L602-R604 PolarHBondContact O-N 3.2Å; L602-Y605 HydrophobicContact CD2-CD2 4.17Å; L602-Y605 HydrophobicContact CD2-CE2 3.83Å; L602-Y605 WeakPolarHBondContact O-CD2 3.42Å; L602-Y605 PolarHBondContact O-N 3.17Å
603	G	88.6	Confident	89.5	Confident	8 Å²	8	17.9 Å²	17.9	8%	0.082	8%	0.079	C	C	.	.	H	α-helix	trans	-62.1	-23.6	174.2	0	0	0	0	0	113.2	W599 Y601 Y605 Y606 M607	W599-G603 VanDerWaalsContact O-CA 3.23Å; W599-G603 WeakPolarHBondContact O-CA 3.28Å; W599-G603 PolarHBondContact O-N 3.44Å; Y601-G603 VanDerWaalsContact C-N 3.32Å; Y601-G603 PolarHBondContact O-N 3.44Å; G603-Y605 VanDerWaalsContact C-N 3.31Å; G603-Y605 PolarHBondContact O-N 3.5Å; G603-Y606 WeakPolarHBondContact O-CB 3.25Å; G603-Y606 PolarHBondContact O-N 3Å; G603-M607 PolarHBondContact O-N 3.31Å; G603-M607 VanDerWaalsContact O-N 3.14Å
604	R	86.4	Confident	89.5	Confident	58 Å²	58	17.9 Å²	17.9	22%	0.219	8%	0.079	C	C	.	.	H	α-helix	trans	-60	-39.6	177.3	-60.3	176.9	-172	-170.3	-1.3	111.9	P16 W18 Y601 L602 Y606 M607 H608	P16-R604 PolarHBondContact O-NH1 3.04Å; W18-R604 HydrophobicContact CD2-CB 4.24Å; W18-R604 HydrophobicContact CE3-CB 3.8Å; W18-R604 HydrophobicContact CH2-CB 3.94Å; W18-R604 HydrophobicContact CZ2-CB 4.37Å; W18-R604 HydrophobicContact CZ3-CB 3.62Å; W18-R604 WeakPolarHBondContact CZ3-O 3.36Å; Y601-R604 WeakPolarHBondContact O-CB 3.44Å; Y601-R604 VanDerWaalsContact O-CG 3.29Å; Y601-R604 WeakPolarHBondContact O-CG 3.33Å; Y601-R604 PolarHBondContact O-N 2.91Å; L602-R604 PolarHBondContact O-N 3.2Å; R604-Y606 PolarHBondContact O-N 3.12Å; R604-M607 WeakPolarHBondContact O-CA 3.38Å; R604-M607 WeakPolarHBondContact O-CB 3.32Å; R604-M607 PolarHBondContact O-N 3.41Å; R604-H608 PolarHBondContact O-N 3.46Å
605	Y	89.9	Confident	89.6	Confident	22 Å²	22	18.6 Å²	18.6	9%	0.086	8%	0.084	C	C	.	.	H	α-helix	trans	-59.3	-33.5	176.3	-65.1	-85	0	0	0	112.5	W18 V278 P280 L602 G603 A609	W18-Y605 HydrophobicContact CH2-CD1 4.02Å; W18-Y605 HydrophobicContact CH2-CE1 4.28Å; W18-Y605 HydrophobicContact CH2-CG 4.25Å; W18-Y605 HydrophobicContact CZ2-CE1 4.38Å; V278-Y605 VanDerWaalsContact O-CD1 3.26Å; V278-Y605 WeakPolarHBondContact O-CD1 3.43Å; P280-Y605 HydrophobicContact CG-CD2 4.42Å; P280-Y605 HydrophobicContact CG-CE2 4.36Å; L602-Y605 HydrophobicContact CD2-CD2 4.17Å; L602-Y605 HydrophobicContact CD2-CE2 3.83Å; L602-Y605 WeakPolarHBondContact O-CD2 3.42Å; L602-Y605 PolarHBondContact O-N 3.17Å; G603-Y605 VanDerWaalsContact C-N 3.31Å; G603-Y605 PolarHBondContact O-N 3.5Å; Y605-A609 WeakPolarHBondContact O-CB 3.36Å; Y605-A609 PolarHBondContact O-N 3.21Å; Y605-A609 VanDerWaalsContact O-N 3.08Å
606	Y	92.8	Very high	89.9	Confident	1 Å²	1	23 Å²	23	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-71.3	-41.3	173.1	-79.4	-102	0	0	0	111.7	K51 H179 T279 W599 G603 R604 H608 A609 R610	K51-Y606 HydrophobicContact CD-CD1 3.99Å; K51-Y606 HydrophobicContact CD-CD2 4.1Å; K51-Y606 HydrophobicContact CD-CE1 3.81Å; K51-Y606 HydrophobicContact CD-CE2 3.94Å; K51-Y606 HydrophobicContact CD-CG 4.13Å; H179-Y606 AromaticContact CE1-CD1 3.57Å; H179-Y606 AromaticContact CE1-CE1 3.63Å; T279-Y606 HydrophobicContact CG2-CD2 4.26Å; T279-Y606 HydrophobicContact CG2-CE2 4.31Å; W599-Y606 HydrophobicContact CH2-CE2 4.03Å; W599-Y606 HydrophobicContact CZ3-CD2 4.13Å; W599-Y606 AromaticContact CZ3-CE2 3.72Å; W599-Y606 HydrophobicContact CZ3-CE2 3.72Å; G603-Y606 WeakPolarHBondContact O-CB 3.25Å; G603-Y606 PolarHBondContact O-N 3Å; R604-Y606 PolarHBondContact O-N 3.12Å; Y606-H608 VanDerWaalsContact C-N 3.34Å; Y606-H608 PolarHBondContact O-N 2.94Å; Y606-A609 PolarHBondContact O-N 2.89Å; Y606-R610 VanDerWaalsContact O-CG 3.23Å; Y606-R610 WeakPolarHBondContact O-CG 3.39Å; Y606-R610 PolarHBondContact O-N 2.99Å
607	M	89.7	Confident	90	Very high	61 Å²	61	24.2 Å²	24.2	30%	0.3	11%	0.107	S	C	.	.	H	α-helix	trans	-57.8	-47.5	175.2	-61.8	174.7	65.8	0	0	111.2	G603 R604 A609 R610 H611	G603-M607 PolarHBondContact O-N 3.31Å; G603-M607 VanDerWaalsContact O-N 3.14Å; R604-M607 WeakPolarHBondContact O-CA 3.38Å; R604-M607 WeakPolarHBondContact O-CB 3.32Å; R604-M607 PolarHBondContact O-N 3.41Å; M607-A609 PolarHBondContact O-N 3.18Å; M607-R610 WeakPolarHBondContact O-CB 3.34Å; M607-R610 PolarHBondContact O-N 3.46Å; M607-R610 VanDerWaalsContact O-N 3.16Å; M607-H611 PolarHBondContact O-N 2.97Å
608	H	88.3	Confident	89.8	Confident	3 Å²	3	25.4 Å²	25.4	1%	0.014	11%	0.112	C	C	.	.	H	α-helix	trans	-63	-42	177.2	178.3	92.9	0	0	0	112.5	W18 R604 Y606 R610 H611 L612 M624 P629	W18-H608 HydrophobicContact CE3-CB 4.29Å; W18-H608 HydrophobicContact CH2-CB 4.29Å; W18-H608 HydrophobicContact CZ3-CB 3.52Å; R604-H608 PolarHBondContact O-N 3.46Å; Y606-H608 VanDerWaalsContact C-N 3.34Å; Y606-H608 PolarHBondContact O-N 2.94Å; H608-R610 VanDerWaalsContact C-N 3.28Å; H608-R610 PolarHBondContact O-N 3.26Å; H608-H611 PolarHBondContact O-N 3.02Å; H608-L612 VanDerWaalsContact O-CB 3.3Å; H608-L612 WeakPolarHBondContact O-CB 3.45Å; H608-L612 PolarHBondContact O-N 3.05Å; H608-M624 WeakPolarHBondContact CE1-CE 3.24Å; H608-M624 VanDerWaalsContact ND1-CE 3.3Å; H608-M624 WeakPolarHBondContact ND1-CE 3.44Å; H608-P629 WeakPolarHBondContact NE2-CA 3.45Å
609	A	92.2	Very high	89.6	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.3	-36.3	174.7	0	0	0	0	0	112.6	V255 T257 V277 Y605 Y606 M607 A613	V255-A609 HydrophobicContact CG1-CB 4.31Å; T257-A609 HydrophobicContact CG2-CB 3.99Å; V277-A609 HydrophobicContact CB-CB 4.48Å; V277-A609 HydrophobicContact CG2-CB 4.32Å; Y605-A609 WeakPolarHBondContact O-CB 3.36Å; Y605-A609 PolarHBondContact O-N 3.21Å; Y605-A609 VanDerWaalsContact O-N 3.08Å; Y606-A609 PolarHBondContact O-N 2.89Å; M607-A609 PolarHBondContact O-N 3.18Å; A609-A613 WeakPolarHBondContact O-CB 3.47Å; A609-A613 PolarHBondContact O-N 3.49Å; A609-A613 VanDerWaalsContact O-N 3.09Å
610	R	92.5	Very high	89.3	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-69.1	-45.5	175.4	-66.6	165.7	-164.9	157.8	-2.1	111.9	L23 E58 W59 I177 I202 Y606 M607 H608 A613 L614	L23-R610 HydrophobicContact CD1-CB 4.39Å; E58-R610 IonicContact OE1-NH1 2.78Å; E58-R610 PolarHBondContact OE1-NH1 2.92Å; E58-R610 IonicContact OE2-NH1 3.67Å; E58-R610 PolarHBondContact OE2-NH1 3.41Å; W59-R610 VanDerWaalsContact NE1-NH1 3.17Å; I177-R610 HydrophobicContact CD1-CB 4.08Å; I202-R610 HydrophobicContact CD1-CB 4.31Å; I202-R610 HydrophobicContact CD1-CG 3.81Å; Y606-R610 VanDerWaalsContact O-CG 3.23Å; Y606-R610 WeakPolarHBondContact O-CG 3.39Å; Y606-R610 PolarHBondContact O-N 2.99Å; M607-R610 WeakPolarHBondContact O-CB 3.34Å; M607-R610 PolarHBondContact O-N 3.46Å; M607-R610 VanDerWaalsContact O-N 3.16Å; H608-R610 VanDerWaalsContact C-N 3.28Å; H608-R610 PolarHBondContact O-N 3.26Å; R610-A613 PolarHBondContact O-N 3.43Å; R610-L614 PolarHBondContact O-N 3.38Å
611	H	89.3	Confident	89	Confident	21 Å²	21	35.2 Å²	35.2	10%	0.097	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-44.9	177.4	-170.5	-144.5	0	0	0	111.5	L23 M607 H608 A613 L614 S615 M624	L23-H611 HydrophobicContact CD2-CB 4.18Å; L23-H611 VanDerWaalsContact CD2-CD2 3.45Å; L23-H611 WeakPolarHBondContact CD2-CD2 3.48Å; M607-H611 PolarHBondContact O-N 2.97Å; H608-H611 PolarHBondContact O-N 3.02Å; H611-A613 VanDerWaalsContact C-N 3.27Å; H611-A613 PolarHBondContact O-N 3.33Å; H611-L614 WeakPolarHBondContact O-CB 3.46Å; H611-L614 PolarHBondContact O-N 2.79Å; H611-L614 VanDerWaalsContact O-N 3.16Å; H611-S615 PolarHBondContact O-N 3Å; H611-M624 HydrophobicContact CB-SD 4.5Å
612	L	90	Very high	88.8	Confident	26 Å²	26	36.2 Å²	36.2	14%	0.136	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-34.3	175.4	-175.8	62.3	0	0	0	112.8	V255 D276 V277 H608 S615 R616 M624	V255-L612 HydrophobicContact CG1-CD2 4.27Å; V255-L612 HydrophobicContact CG2-CB 4.03Å; V255-L612 HydrophobicContact CG2-CD2 3.98Å; V255-L612 HydrophobicContact CG2-CG 3.73Å; D276-L612 HydrophobicContact CB-CD2 4.05Å; V277-L612 HydrophobicContact CG2-CD2 4.06Å; H608-L612 VanDerWaalsContact O-CB 3.3Å; H608-L612 WeakPolarHBondContact O-CB 3.45Å; H608-L612 PolarHBondContact O-N 3.05Å; L612-S615 PolarHBondContact O-OG 3.42Å; L612-S615 VanDerWaalsContact O-OG 3.09Å; L612-R616 HydrophobicContact CD1-CG 4.46Å; L612-R616 WeakPolarHBondContact O-CB 3.4Å; L612-R616 VanDerWaalsContact O-CG 3.27Å; L612-R616 WeakPolarHBondContact O-CG 3.49Å; L612-R616 PolarHBondContact O-N 3.06Å; L612-M624 HydrophobicContact CB-SD 4.16Å; L612-M624 HydrophobicContact CD1-SD 4.13Å
613	A	92.8	Very high	87.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.2	-39.7	176.5	0	0	0	0	0	111.6	A200 I202 V255 A609 R610 H611 T617	A200-A613 HydrophobicContact CB-CB 4.16Å; I202-A613 HydrophobicContact CD1-CB 4.07Å; I202-A613 HydrophobicContact CG1-CB 3.62Å; V255-A613 HydrophobicContact CB-CB 4.29Å; V255-A613 HydrophobicContact CG2-CB 3.75Å; A609-A613 WeakPolarHBondContact O-CB 3.47Å; A609-A613 PolarHBondContact O-N 3.49Å; A609-A613 VanDerWaalsContact O-N 3.09Å; R610-A613 PolarHBondContact O-N 3.43Å; H611-A613 VanDerWaalsContact C-N 3.27Å; H611-A613 PolarHBondContact O-N 3.33Å; A613-T617 WeakPolarHBondContact O-CB 3.5Å; A613-T617 PolarHBondContact O-N 2.85Å; A613-T617 VanDerWaalsContact O-N 3.15Å; A613-T617 PolarHBondContact O-OG1 2.87Å
614	L	91.1	Very high	87.1	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-47.4	174.8	-72.8	171.8	0	0	0	111.7	L23 L28 I177 A200 R610 H611 R616 T617 F618 F622	L23-L614 HydrophobicContact CD2-CD1 3.67Å; L28-L614 HydrophobicContact CD1-CD1 3.74Å; L28-L614 HydrophobicContact CD2-CD1 4.39Å; L28-L614 HydrophobicContact CD2-CD2 4.17Å; I177-L614 HydrophobicContact CD1-CD1 3.81Å; I177-L614 HydrophobicContact CD1-CD2 4.06Å; I177-L614 HydrophobicContact CD1-CG 3.84Å; I177-L614 HydrophobicContact CG1-CD2 3.84Å; I177-L614 HydrophobicContact CG1-CG 4.14Å; A200-L614 HydrophobicContact CB-CD2 4.12Å; R610-L614 PolarHBondContact O-N 3.38Å; H611-L614 WeakPolarHBondContact O-CB 3.46Å; H611-L614 PolarHBondContact O-N 2.79Å; H611-L614 VanDerWaalsContact O-N 3.16Å; L614-R616 VanDerWaalsContact C-N 3.33Å; L614-R616 PolarHBondContact O-N 3.45Å; L614-T617 PolarHBondContact O-N 3.11Å; L614-T617 VanDerWaalsContact O-N 3.14Å; L614-F618 HydrophobicContact CD2-CD2 4.01Å; L614-F618 HydrophobicContact CD2-CE2 4.17Å; L614-F618 PolarHBondContact O-N 3.24Å; L614-F622 HydrophobicContact CB-CB 4.25Å; L614-F622 HydrophobicContact CB-CD1 4.42Å; L614-F622 HydrophobicContact CB-CD2 3.93Å; L614-F622 HydrophobicContact CB-CE2 4.39Å; L614-F622 HydrophobicContact CB-CG 3.94Å; L614-F622 HydrophobicContact CD1-CD1 4.31Å; L614-F622 HydrophobicContact CD1-CE1 4.12Å; L614-F622 HydrophobicContact CD1-CE2 4.49Å; L614-F622 HydrophobicContact CD1-CZ 4.22Å; L614-F622 HydrophobicContact CD2-CD2 4.48Å; L614-F622 HydrophobicContact CD2-CE2 4.16Å
615	S	89.6	Confident	85.7	Confident	17 Å²	17	50.7 Å²	50.7	12%	0.119	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-37.9	-178.9	66.7	0	0	0	0	112.8	H611 L612 P619 F622	H611-S615 PolarHBondContact O-N 3Å; L612-S615 PolarHBondContact O-OG 3.42Å; L612-S615 VanDerWaalsContact O-OG 3.09Å; S615-P619 WeakPolarHBondContact O-CA 3.37Å; S615-F622 WeakPolarHBondContact CA-O 3.36Å; S615-F622 WeakPolarHBondContact CB-O 3.21Å
616	R	91.1	Very high	83.8	Confident	110 Å²	110	55.7 Å²	55.7	42%	0.415	28%	0.281	S	S	.	.	H	α-helix	trans	-70.2	-30.3	175.3	-72	176.6	179.6	-173.1	0.7	113.6	H254 D276 L612 L614	H254-R616 WeakPolarHBondContact O-CD 3.31Å; H254-R616 PolarHBondContact O-NH1 3.35Å; D276-R616 IonicContact OD1-CZ 3.83Å; D276-R616 VanDerWaalsContact OD1-CZ 3.26Å; D276-R616 IonicContact OD1-NH1 3.06Å; D276-R616 PolarHBondContact OD1-NH1 2.99Å; D276-R616 IonicContact OD1-NH2 3.26Å; D276-R616 PolarHBondContact OD1-NH2 3.44Å; D276-R616 IonicContact OD2-NH1 2.76Å; D276-R616 PolarHBondContact OD2-NH1 3.49Å; L612-R616 HydrophobicContact CD1-CG 4.46Å; L612-R616 WeakPolarHBondContact O-CB 3.4Å; L612-R616 VanDerWaalsContact O-CG 3.27Å; L612-R616 WeakPolarHBondContact O-CG 3.49Å; L612-R616 PolarHBondContact O-N 3.06Å; L614-R616 VanDerWaalsContact C-N 3.33Å; L614-R616 PolarHBondContact O-N 3.45Å
617	T	90.4	Very high	81.6	Confident	29 Å²	29	59.2 Å²	59.2	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-90.7	-35.4	-176	-45.1	0	0	0	0	111.6	A200 H254 A613 L614	A200-T617 WeakPolarHBondContact CA-OG1 3.31Å; A200-T617 HydrophobicContact CB-CG2 4.5Å; H254-T617 PolarHBondContact CD2-OG1 3.49Å; A613-T617 WeakPolarHBondContact O-CB 3.5Å; A613-T617 PolarHBondContact O-N 2.85Å; A613-T617 VanDerWaalsContact O-N 3.15Å; A613-T617 PolarHBondContact O-OG1 2.87Å; L614-T617 PolarHBondContact O-N 3.11Å; L614-T617 VanDerWaalsContact O-N 3.14Å
618	F	88	Confident	79.4	Confident	25 Å²	25	59.4 Å²	59.4	11%	0.11	32%	0.318	C	S	.	.			trans	-133.8	64.3	-173.7	-46.5	-58.6	0	0	0	111.1	P174 A200 L614 D620 K621 F622	P174-F618 HydrophobicContact CB-CD1 3.62Å; P174-F618 HydrophobicContact CB-CD2 3.95Å; P174-F618 HydrophobicContact CB-CE1 3.11Å; P174-F618 HydrophobicContact CB-CE2 3.49Å; P174-F618 VanDerWaalsContact CB-CE2 3.49Å; P174-F618 HydrophobicContact CB-CG 4.02Å; P174-F618 HydrophobicContact CB-CZ 3.06Å; P174-F618 HydrophobicContact CG-CB 4.37Å; P174-F618 HydrophobicContact CG-CD1 3.16Å; P174-F618 HydrophobicContact CG-CD2 3.87Å; P174-F618 HydrophobicContact CG-CE1 3.24Å; P174-F618 HydrophobicContact CG-CE2 3.95Å; P174-F618 HydrophobicContact CG-CG 3.51Å; P174-F618 HydrophobicContact CG-CZ 3.68Å; A200-F618 HydrophobicContact CB-CE2 4.07Å; L614-F618 HydrophobicContact CD2-CD2 4.01Å; L614-F618 HydrophobicContact CD2-CE2 4.17Å; L614-F618 PolarHBondContact O-N 3.24Å; F618-D620 PolarHBondContact O-N 3.39Å; F618-K621 PolarHBondContact O-N 3.36Å; F618-F622 HydrophobicContact CB-CD2 4.05Å; F618-F622 PolarHBondContact O-N 2.85Å
619	P	85.2	Confident	77.5	Confident	74 Å²	74	61.4 Å²	61.4	48%	0.481	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.3	-173.4	25.6	-35.5	0	0	0	113.3	S615 K621	S615-P619 WeakPolarHBondContact O-CA 3.37Å; P619-K621 PolarHBondContact O-N 3.22Å
620	D	84.6	Confident	75.2	Confident	162 Å²	162	64.2 Å²	64.2	87%	0.866	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.8	178.8	-54.6	-39.2	0	0	0	113.4	F618	F618-D620 PolarHBondContact O-N 3.39Å
621	K	80.4	Confident	72.8	Confident	114 Å²	114	70.7 Å²	70.7	50%	0.496	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-33	-175.6	-63.7	-170.7	-174.8	-172.3	0	113.3	P174 F618 P619	P174-K621 VanDerWaalsContact CD-NZ 3.29Å; F618-K621 PolarHBondContact O-N 3.36Å; P619-K621 PolarHBondContact O-N 3.22Å
622	F	81.4	Confident	70.8	Confident	28 Å²	28	71.2 Å²	71.2	12%	0.123	38%	0.382	C	S	.	.			trans	-124.4	104.8	-177.8	-60.2	-82.4	0	0	0	108.1	P24 L28 L614 S615 F618	P24-F622 HydrophobicContact CG-CE1 3.78Å; P24-F622 HydrophobicContact CG-CZ 4.25Å; L28-F622 HydrophobicContact CD2-CZ 4.15Å; L614-F622 HydrophobicContact CB-CB 4.25Å; L614-F622 HydrophobicContact CB-CD1 4.42Å; L614-F622 HydrophobicContact CB-CD2 3.93Å; L614-F622 HydrophobicContact CB-CE2 4.39Å; L614-F622 HydrophobicContact CB-CG 3.94Å; L614-F622 HydrophobicContact CD1-CD1 4.31Å; L614-F622 HydrophobicContact CD1-CE1 4.12Å; L614-F622 HydrophobicContact CD1-CE2 4.49Å; L614-F622 HydrophobicContact CD1-CZ 4.22Å; L614-F622 HydrophobicContact CD2-CD2 4.48Å; L614-F622 HydrophobicContact CD2-CE2 4.16Å; S615-F622 WeakPolarHBondContact CA-O 3.36Å; S615-F622 WeakPolarHBondContact CB-O 3.21Å; F618-F622 HydrophobicContact CB-CD2 4.05Å; F618-F622 PolarHBondContact O-N 2.85Å
623	E	72.6	Confident	68.4	Low	170 Å²	170	77.2 Å²	77.2	79%	0.794	41%	0.409	S	S	*	.			trans	-91.9	134	171.3	-69.9	-172.5	175.9	0	0	109
624	M	70.7	Confident	66.1	Low	40 Å²	40	79.2 Å²	79.2	20%	0.197	43%	0.43	C	S	.	.			trans	-133.1	121	171.6	-172.3	175.6	-172.3	0	0	106.5	H608 H611 L612	H608-M624 WeakPolarHBondContact CE1-CE 3.24Å; H608-M624 VanDerWaalsContact ND1-CE 3.3Å; H608-M624 WeakPolarHBondContact ND1-CE 3.44Å; H611-M624 HydrophobicContact CB-SD 4.5Å; L612-M624 HydrophobicContact CB-SD 4.16Å; L612-M624 HydrophobicContact CD1-SD 4.13Å
625	E	58	Low	64.4	Low	159 Å²	159	80 Å²	80	74%	0.743	43%	0.433	S	S	*	.			trans	-51.3	131.5	169.6	-86.6	-81	162.8	0	0	107.9	S627	E625-S627 PolarHBondContact O-N 2.83Å
626	P	49.2	Very low	63.3	Low	127 Å²	127	86.9 Å²	86.9	83%	0.825	46%	0.457	S	S	*	.			trans	-72.8	49.7	177.1	30.4	-33.3	0	0	0	110.6
627	S	46	Very low	62.5	Low	75 Å²	75	82.5 Å²	82.5	52%	0.524	44%	0.44	S	S	.	.			trans	-72.6	128.1	157.4	60.5	0	0	0	0	107	E625	E625-S627 PolarHBondContact O-N 2.83Å
628	A	45.2	Very low	61.8	Low	66 Å²	66	82 Å²	82	55%	0.545	44%	0.437	S	S	.	.			trans	-43.3	150.7	159.2	0	0	0	0	0	109.3
629	P	46.7	Very low	61.1	Low	44 Å²	44	84.5 Å²	84.5	29%	0.286	45%	0.446	S	S	.	.	S	Bend	trans	-40.5	125.3	169.5	16.9	-30.8	0	0	0	107.1	H608 K631	H608-P629 WeakPolarHBondContact NE2-CA 3.45Å; P629-K631 PolarHBondContact O-N 3.42Å
630	P	44.9	Very low	60.5	Low	59 Å²	59	81 Å²	81	38%	0.383	42%	0.424	S	S	.	.			trans	-51.3	110.6	-167.5	18.3	-30.6	0	0	0	105.7	W18 T632	W18-P630 HydrophobicContact CD2-CG 4.28Å; W18-P630 HydrophobicContact CZ2-CG 4.09Å; P630-T632 PolarHBondContact O-N 3.47Å; P630-T632 VanDerWaalsContact O-N 3.1Å
631	K	42.4	Very low	59.3	Low	138 Å²	138	75.5 Å²	75.5	60%	0.6	40%	0.398	S	S	*	.			trans	-52.4	132.6	-178.6	-71.4	-176.8	177.5	176.7	0	104.1	P629 E633	P629-K631 PolarHBondContact O-N 3.42Å; K631-E633 HydrophobicContact CB-CB 3.9Å; K631-E633 HydrophobicContact CB-CG 3.82Å; K631-E633 HydrophobicContact CD-CG 3.85Å; K631-E633 WeakPolarHBondContact CD-OE1 3.43Å; K631-E633 IonicContact NZ-OE1 3.52Å; K631-E633 PolarHBondContact NZ-OE1 3.1Å; K631-E633 IonicContact NZ-OE2 2.76Å; K631-E633 PolarHBondContact O-N 2.85Å
632	T	46.4	Very low	58.4	Low	33 Å²	33	72.7 Å²	72.7	20%	0.202	39%	0.392	C	S	.	.			trans	-65.7	28.1	165.7	40.7	0	0	0	0	111	P630 G634 F635	P630-T632 PolarHBondContact O-N 3.47Å; P630-T632 VanDerWaalsContact O-N 3.1Å; T632-G634 PolarHBondContact O-N 3.36Å; T632-F635 PolarHBondContact O-N 3.44Å
633	E	40	Very low	57.6	Low	151 Å²	151	72.9 Å²	72.9	71%	0.706	40%	0.396	S	S	*	.	S	Bend	trans	-61.6	76.1	159.4	-80.1	-178.6	-172	0	0	108.2	K631	K631-E633 HydrophobicContact CB-CB 3.9Å; K631-E633 HydrophobicContact CB-CG 3.82Å; K631-E633 HydrophobicContact CD-CG 3.85Å; K631-E633 WeakPolarHBondContact CD-OE1 3.43Å; K631-E633 IonicContact NZ-OE1 3.52Å; K631-E633 PolarHBondContact NZ-OE1 3.1Å; K631-E633 IonicContact NZ-OE2 2.76Å; K631-E633 PolarHBondContact O-N 2.85Å
634	G	44.4	Very low	56.4	Low	42 Å²	42	69.6 Å²	69.6	43%	0.433	39%	0.389	S	S	.	.	S	Bend	trans	160.4	-36.5	173.6	0	0	0	0	0	114.1	T632 R636	T632-G634 PolarHBondContact O-N 3.36Å; G634-R636 PolarHBondContact O-N 3.35Å
635	F	55.8	Low	55.1	Low	16 Å²	16	73.2 Å²	73.2	7%	0.07	42%	0.415	C	S	.	.			trans	-93.3	97.7	-179.9	-170.6	-92	0	0	0	110.8	L15 L596 T632 Y637 I682	L15-F635 HydrophobicContact CD2-CD1 4.22Å; L15-F635 HydrophobicContact CD2-CD2 3.68Å; L15-F635 HydrophobicContact CD2-CE1 3.98Å; L15-F635 HydrophobicContact CD2-CE2 3.35Å; L15-F635 HydrophobicContact CD2-CG 4.09Å; L15-F635 HydrophobicContact CD2-CZ 3.53Å; L15-F635 HydrophobicContact CG-CE2 4.31Å; L596-F635 HydrophobicContact CD2-CE1 3.53Å; L596-F635 HydrophobicContact CD2-CZ 3.93Å; T632-F635 PolarHBondContact O-N 3.44Å; F635-Y637 HydrophobicContact CZ-CD2 4.44Å; F635-I682 HydrophobicContact CD2-CG2 4.13Å; F635-I682 HydrophobicContact CE2-CG2 3.59Å
636	R	66.7	Low	54.1	Low	163 Å²	163	69.2 Å²	69.2	62%	0.615	41%	0.405	S	S	*	.			trans	-117.4	120.8	163.1	-75.3	-173.1	177.2	172.6	3.3	108.6	H542 A544 G634 P638	H542-R636 CarbonylContact O-C 3.34Å; H542-R636 WeakPolarHBondContact O-CA 3.39Å; A544-R636 HydrophobicContact CB-CB 4.37Å; G634-R636 PolarHBondContact O-N 3.35Å; R636-P638 VanDerWaalsContact O-N 3.15Å
637	Y	74.3	Confident	53.5	Low	18 Å²	18	69.2 Å²	69.2	7%	0.071	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-54.5	122.4	170.5	-155.6	-81	0	0	0	108	H542 A544 Y549 L593 L596 F635	H542-Y637 PolarHBondContact O-N 3.12Å; A544-Y637 WeakPolarHBondContact CB-O 3.47Å; A544-Y637 PolarHBondContact N-O 3.31Å; Y549-Y637 HydrophobicContact CD1-CE1 4.46Å; Y549-Y637 AromaticContact CE1-CD1 3.87Å; Y549-Y637 HydrophobicContact CE1-CD1 3.87Å; Y549-Y637 AromaticContact CE1-CE1 3.48Å; Y549-Y637 HydrophobicContact CE1-CE1 3.48Å; Y549-Y637 VanDerWaalsContact CE1-CE1 3.48Å; Y549-Y637 AromaticContact CE2-CD1 3.9Å; Y549-Y637 HydrophobicContact CE2-CD1 3.9Å; Y549-Y637 HydrophobicContact CE2-CE1 4.33Å; Y549-Y637 AromaticContact CZ-CD1 3.41Å; Y549-Y637 VanDerWaalsContact CZ-CD1 3.41Å; Y549-Y637 AromaticContact CZ-CE1 3.4Å; Y549-Y637 VanDerWaalsContact OH-CD1 3.31Å; Y549-Y637 WeakPolarHBondContact OH-CD1 3.49Å; Y549-Y637 WeakPolarHBondContact OH-CE1 3.38Å; L593-Y637 HydrophobicContact CD2-CD1 3.99Å; L593-Y637 HydrophobicContact CD2-CD2 4.29Å; L593-Y637 HydrophobicContact CD2-CE1 4.25Å; L593-Y637 HydrophobicContact CD2-CG 4Å; L596-Y637 HydrophobicContact CD1-CD2 4.05Å; L596-Y637 HydrophobicContact CD1-CG 4.47Å; L596-Y637 HydrophobicContact CD2-CD2 4.4Å; L596-Y637 HydrophobicContact CG-CD2 4.43Å; F635-Y637 HydrophobicContact CZ-CD2 4.44Å
638	P	75.4	Confident	52.7	Low	17 Å²	17	71.1 Å²	71.1	11%	0.11	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-67.9	163.2	-168.4	27.8	-35.3	0	0	0	111	Y549 R636 N681 I682	Y549-P638 WeakPolarHBondContact CE2-O 3.43Å; Y549-P638 VanDerWaalsContact CZ-O 3.27Å; Y549-P638 PolarHBondContact OH-O 3.4Å; R636-P638 VanDerWaalsContact O-N 3.15Å; P638-N681 HydrophobicContact CB-CB 4.11Å; P638-N681 HydrophobicContact CG-CB 4.14Å; P638-I682 HydrophobicContact CG-CG1 4.16Å
639	R	73.8	Confident	52.1	Low	79 Å²	79	74.5 Å²	74.5	30%	0.298	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-62.8	140	169.6	-172.3	176	-170.8	-168.6	-8	109.2	D545 S641 P644 S646	D545-R639 HydrophobicContact CB-CB 4.49Å; D545-R639 HydrophobicContact CB-CG 4.17Å; D545-R639 IonicContact OD2-CZ 3.76Å; D545-R639 IonicContact OD2-NE 2.8Å; D545-R639 PolarHBondContact OD2-NE 3.49Å; R639-S641 PolarHBondContact O-N 2.92Å; R639-P644 PolarHBondContact NH2-O 3.03Å; R639-S646 VanDerWaalsContact NH1-N 3.15Å; R639-S646 PolarHBondContact NH1-OG 3.5Å; R639-S646 PolarHBondContact NH2-OG 3.35Å
640	P	72.3	Confident	51.5	Low	1 Å²	1	77.4 Å²	77.4	1%	0.006	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-60.8	134	-178.9	-11.7	21.8	0	0	0	110.4	A548 Y549 S642 V643	A548-P640 HydrophobicContact CB-CG 3.98Å; Y549-P640 HydrophobicContact CD1-CG 4.44Å; Y549-P640 HydrophobicContact CD2-CG 4.14Å; Y549-P640 HydrophobicContact CE1-CG 3.94Å; Y549-P640 VanDerWaalsContact CE2-CD 3.44Å; Y549-P640 HydrophobicContact CE2-CG 3.63Å; Y549-P640 VanDerWaalsContact CZ-CG 3.48Å; P640-S642 PolarHBondContact O-N 3.14Å; P640-S642 VanDerWaalsContact O-N 3.17Å; P640-V643 HydrophobicContact CB-CG2 4.15Å; P640-V643 HydrophobicContact CG-CG2 4.1Å; P640-V643 PolarHBondContact O-N 3.41Å
641	S	58.1	Low	50.8	Low	46 Å²	46	83.5 Å²	83.5	32%	0.322	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.9	-176.4	55.8	0	0	0	0	114.3	R639 V643 E674 D678	R639-S641 PolarHBondContact O-N 2.92Å; S641-V643 VanDerWaalsContact C-N 3.29Å; S641-V643 PolarHBondContact O-N 3.21Å; S641-E674 WeakPolarHBondContact OG-CG 3.44Å; S641-D678 PolarHBondContact N-OD1 3.2Å; S641-D678 VanDerWaalsContact N-OD1 3.13Å; S641-D678 PolarHBondContact OG-OD1 2.84Å
642	S	63	Low	50.1	Low	54 Å²	54	86 Å²	86	38%	0.378	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	1.1	176.8	65.7	0	0	0	0	114.7	R589 P640 E674	R589-S642 PolarHBondContact NH2-OG 3.34Å; P640-S642 PolarHBondContact O-N 3.14Å; P640-S642 VanDerWaalsContact O-N 3.17Å; S642-E674 VanDerWaalsContact CB-OE1 3.24Å; S642-E674 WeakPolarHBondContact CB-OE1 3.31Å; S642-E674 PolarHBondContact OG-OE1 2.98Å
643	V	63.5	Low	49.4	Very low	33 Å²	33	90 Å²	90	20%	0.2	52%	0.52	C	S	.	.	S	Bend	trans	-95.9	120.2	170.9	-174.4	0	0	0	0	108.4	A548 R589 P640 S641	A548-V643 HydrophobicContact CB-CG2 4.3Å; R589-V643 VanDerWaalsContact NH1-CG2 3.33Å; P640-V643 HydrophobicContact CB-CG2 4.15Å; P640-V643 HydrophobicContact CG-CG2 4.1Å; P640-V643 PolarHBondContact O-N 3.41Å; S641-V643 VanDerWaalsContact C-N 3.29Å; S641-V643 PolarHBondContact O-N 3.21Å
644	P	47.1	Very low	48.9	Very low	101 Å²	101	87.9 Å²	87.9	66%	0.656	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-58.6	142.1	-179.4	20.5	-30.1	0	0	0	110.9	R639 S646	R639-P644 PolarHBondContact NH2-O 3.03Å; P644-S646 PolarHBondContact O-N 3.4Å
645	P	43.4	Very low	48.6	Very low	115 Å²	115	91.7 Å²	91.7	75%	0.747	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-58.1	134.8	177	22.8	-30.5	0	0	0	109.4
646	S	37	Very low	47.3	Very low	75 Å²	75	100 Å²	100	52%	0.524	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-63.2	140.8	175.6	-51.2	0	0	0	0	108.1	R639 P644 S648	R639-S646 VanDerWaalsContact NH1-N 3.15Å; R639-S646 PolarHBondContact NH1-OG 3.5Å; R639-S646 PolarHBondContact NH2-OG 3.35Å; P644-S646 PolarHBondContact O-N 3.4Å; S646-S648 PolarHBondContact O-N 3.37Å
647	P	36.4	Very low	45.5	Very low	128 Å²	128	101.1 Å²	101.1	83%	0.831	59%	0.589	S	S	*	*			trans	-63.8	108.4	-175.3	24.2	-31.5	0	0	0	109.7
648	S	30.8	Very low	43.8	Very low	114 Å²	114	105.7 Å²	105.7	80%	0.797	62%	0.623	S	S	*	*			trans	-68.9	126.9	163.5	32.9	0	0	0	0	108	S646	S646-S648 PolarHBondContact O-N 3.37Å
649	V	32.2	Very low	41.8	Very low	138 Å²	138	114.3 Å²	114.3	84%	0.836	66%	0.662	S	S	*	*	S	Bend	trans	-59.1	137.5	-177.7	-176.7	0	0	0	0	110.8
650	S	33.5	Very low	39.8	Very low	104 Å²	104	114.3 Å²	114.3	73%	0.727	69%	0.687	S	S	*	*			trans	84.1	96.5	167.4	72.1	0	0	0	0	118.7
651	Q	29.8	Very low	37.9	Very low	187 Å²	187	123.5 Å²	123.5	87%	0.874	73%	0.73	S	S	*	*				-173.9	164.4	94.4	-91.6	-166.2	5.4	0	0	111.5
652	H	27.8	Very low	36.8	Very low	190 Å²	190	129.2 Å²	129.2	88%	0.88	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-52.9	134.5	-158.6	-69.7	-75.2	0	0	0	117.5
653	S	31.3	Very low	35.4	Very low	119 Å²	119	135.5 Å²	135.5	83%	0.832	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-80.8	125	164.4	43	0	0	0	0	111.1
654	S	30.5	Very low	33.9	Very low	105 Å²	105	141.9 Å²	141.9	73%	0.734	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-78.5	141.2	156.7	39.5	0	0	0	0	109.4	H656	S654-H656 PolarHBondContact O-N 3.06Å
655	P	37.8	Very low	33.5	Very low	122 Å²	122	145.5 Å²	145.5	79%	0.792	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-78	118.9	-173.8	31.3	-30.8	0	0	0	109.5
656	H	29.3	Very low	33.3	Very low	190 Å²	190	147.6 Å²	147.6	88%	0.88	83%	0.826	S	S	*	*			trans	-104.6	125.5	156.5	-92.3	-0.4	0	0	0	109	S654	S654-H656 PolarHBondContact O-N 3.06Å
657	H	28.3	Very low	33.6	Very low	188 Å²	188	152.4 Å²	152.4	87%	0.87	84%	0.84	S	S	*	*			trans	-55.9	130.1	178.4	-96.9	-81.6	0	0	0	110.3	E659	H657-E659 PolarHBondContact O-N 3.07Å
658	S	39.2	Very low	34.2	Very low	113 Å²	113	157.5 Å²	157.5	79%	0.79	84%	0.843	S	S	*	*			trans	-75.7	102.1	170.8	51.7	0	0	0	0	110.4
659	E	32.4	Very low	35.3	Very low	198 Å²	198	155.3 Å²	155.3	93%	0.925	82%	0.818	S	S	*	*			trans	-145.6	115.7	151.8	-74.1	-162.2	162.8	0	0	108.2	H657	H657-E659 PolarHBondContact O-N 3.07Å
660	G	33.1	Very low	36.9	Very low	80 Å²	80	152.2 Å²	152.2	83%	0.825	80%	0.797	S	S	*	*			trans	108	69.9	169	0	0	0	0	0	115.9
661	E	31.4	Very low	38.2	Very low	194 Å²	194	149.4 Å²	149.4	91%	0.907	77%	0.772	S	S	*	*			trans	-121.1	76.8	159.5	-76.9	-174.9	-177.2	0	0	108.2
662	D	34.7	Very low	39.8	Very low	166 Å²	166	146.2 Å²	146.2	89%	0.888	76%	0.761	S	S	*	*	S	Bend	trans	-141.2	13.3	168.7	-89.1	-34.4	0	0	0	112.4
663	E	33.2	Very low	41.7	Very low	185 Å²	185	142 Å²	142	86%	0.864	74%	0.741	S	S	*	*	S	Bend	trans	-128.3	3.5	-175.8	-74.7	-169.1	167.1	0	0	117.4
664	D	31.8	Very low	43.4	Very low	168 Å²	168	136.7 Å²	136.7	90%	0.898	70%	0.704	S	S	*	*			trans	-107.6	40.6	178.5	-70.3	-33	0	0	0	113.7	D666	D664-D666 VanDerWaalsContact C-N 3.33Å
665	E	38.7	Very low	44.8	Very low	176 Å²	176	132.6 Å²	132.6	82%	0.822	68%	0.676	S	S	*	*			trans	-85.1	4.1	174.3	-96.1	-160.9	158.3	0	0	114.8
666	D	39.9	Very low	46	Very low	160 Å²	160	130.8 Å²	130.8	86%	0.856	66%	0.657	S	S	*	*			trans	-106.5	18.2	-169.8	-97.4	-17.7	0	0	0	116	D664 R668	D664-D666 VanDerWaalsContact C-N 3.33Å; D666-R668 PolarHBondContact O-N 3.31Å
667	E	43.7	Very low	47.7	Very low	175 Å²	175	127.9 Å²	127.9	82%	0.818	64%	0.638	S	S	*	*			trans	-72.5	98.4	158.5	-79.8	-166	172.8	0	0	109.1	Y669	E667-Y669 PolarHBondContact O-N 3.46Å
668	R	48.2	Very low	49.3	Very low	236 Å²	236	119 Å²	119	89%	0.891	60%	0.597	S	S	*	*			trans	-53.6	116.5	165.5	-93.2	-175.7	-175.7	-174.5	3	107.9	D666 D670	D666-R668 PolarHBondContact O-N 3.31Å; R668-D670 PolarHBondContact O-N 3.02Å
669	Y	54.3	Low	50.4	Low	68 Å²	68	117.6 Å²	117.6	27%	0.267	58%	0.575	S	S	.	*			trans	-57.8	106	166	170.7	-95.4	0	0	0	108	I585 R592 E667 E671 E674	I585-Y669 HydrophobicContact CG1-CE1 4.48Å; I585-Y669 HydrophobicContact CG1-CE2 4.4Å; I585-Y669 HydrophobicContact CG2-CE2 4.14Å; R592-Y669 PolarHBondContact NH2-OH 3.29Å; E667-Y669 PolarHBondContact O-N 3.46Å; Y669-E671 HydrophobicContact CE1-CB 3.93Å; Y669-E671 HydrophobicContact CE1-CG 4.45Å; Y669-E674 VanDerWaalsContact CE2-OE2 3.23Å; Y669-E674 WeakPolarHBondContact CE2-OE2 3.48Å; Y669-E674 PolarHBondContact OH-OE2 3.35Å
670	D	66.8	Low	51.6	Low	73 Å²	73	115.1 Å²	115.1	39%	0.39	56%	0.563	S	S	.	*			trans	-94.6	109.9	173.5	-167	-41.7	0	0	0	108.6	R668 D672 E673 E674	R668-D670 PolarHBondContact O-N 3.02Å; D670-D672 VanDerWaalsContact C-N 3.33Å; D670-D672 PolarHBondContact OD1-N 3.11Å; D670-E673 HydrophobicContact CB-CB 3.96Å; D670-E673 HydrophobicContact CB-CG 3.93Å; D670-E673 PolarHBondContact OD1-N 3Å; D670-E673 VanDerWaalsContact OD1-N 3.1Å; D670-E674 PolarHBondContact O-N 3.27Å; D670-E674 VanDerWaalsContact O-N 3.1Å
671	E	60.5	Low	52.6	Low	45 Å²	45	115.4 Å²	115.4	21%	0.21	55%	0.546	C	S	.	.	H	α-helix	trans	-68	-34.2	-176.6	-178.9	166.2	-156.3	0	0	112.4	N588 Y669 A675	N588-E671 WeakPolarHBondContact CB-OE1 3.31Å; N588-E671 PolarHBondContact ND2-OE1 3.34Å; N588-E671 PolarHBondContact ND2-OE2 3.01Å; N588-E671 VanDerWaalsContact ND2-OE2 3.12Å; Y669-E671 HydrophobicContact CE1-CB 3.93Å; Y669-E671 HydrophobicContact CE1-CG 4.45Å; E671-A675 WeakPolarHBondContact O-CB 3.32Å; E671-A675 PolarHBondContact O-N 3.3Å
672	D	63.4	Low	53.7	Low	120 Å²	120	107.2 Å²	107.2	64%	0.642	51%	0.508	S	S	*	.	H	α-helix	trans	-73.8	-39.1	-179.8	-69.9	-32.5	0	0	0	109.9	D670 A675 E676	D670-D672 VanDerWaalsContact C-N 3.33Å; D670-D672 PolarHBondContact OD1-N 3.11Å; D672-A675 PolarHBondContact O-N 2.89Å; D672-E676 WeakPolarHBondContact O-CB 3.46Å; D672-E676 PolarHBondContact O-N 3.19Å
673	E	68.1	Low	54	Low	100 Å²	100	107.6 Å²	107.6	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-63.2	-43.3	172.4	-73.8	-164.7	-175.8	0	0	112.5	D670 E676 R677	D670-E673 HydrophobicContact CB-CB 3.96Å; D670-E673 HydrophobicContact CB-CG 3.93Å; D670-E673 PolarHBondContact OD1-N 3Å; D670-E673 VanDerWaalsContact OD1-N 3.1Å; E673-E676 PolarHBondContact O-N 3.48Å; E673-R677 VanDerWaalsContact O-CG 3.32Å; E673-R677 WeakPolarHBondContact O-CG 3.32Å; E673-R677 PolarHBondContact O-N 2.92Å; E673-R677 IonicContact OE2-CZ 2.82Å; E673-R677 IonicContact OE2-NH2 3.92Å; E673-R677 PolarHBondContact OE2-NH2 3.07Å
674	E	66.6	Low	54.1	Low	8 Å²	8	102 Å²	102	4%	0.037	48%	0.483	C	S	.	.	H	α-helix	trans	-66.5	-42.3	179.2	-163.3	-165.5	-166.6	0	0	111.2	R589 R592 S641 S642 Y669 D670 E676 R677 D678	R589-E674 IonicContact NE-OE1 3.6Å; R592-E674 IonicContact CZ-OE2 3.35Å; R592-E674 VanDerWaalsContact CZ-OE2 3.3Å; R592-E674 IonicContact NH1-OE1 2.84Å; R592-E674 IonicContact NH1-OE2 3.25Å; R592-E674 PolarHBondContact NH1-OE2 2.63Å; R592-E674 IonicContact NH2-OE2 3.48Å; R592-E674 PolarHBondContact NH2-OE2 3.01Å; S641-E674 WeakPolarHBondContact OG-CG 3.44Å; S642-E674 VanDerWaalsContact CB-OE1 3.24Å; S642-E674 WeakPolarHBondContact CB-OE1 3.31Å; S642-E674 PolarHBondContact OG-OE1 2.98Å; Y669-E674 VanDerWaalsContact CE2-OE2 3.23Å; Y669-E674 WeakPolarHBondContact CE2-OE2 3.48Å; Y669-E674 PolarHBondContact OH-OE2 3.35Å; D670-E674 PolarHBondContact O-N 3.27Å; D670-E674 VanDerWaalsContact O-N 3.1Å; E674-E676 VanDerWaalsContact C-N 3.26Å; E674-E676 PolarHBondContact O-N 3.27Å; E674-R677 PolarHBondContact O-N 3.5Å; E674-D678 WeakPolarHBondContact O-CB 3.04Å; E674-D678 VanDerWaalsContact O-CG 3.25Å; E674-D678 PolarHBondContact O-N 3.33Å
675	A	59.8	Low	54.2	Low	19 Å²	19	98 Å²	98	16%	0.157	47%	0.466	C	S	.	.	H	α-helix	trans	-60.3	-37.8	175.1	0	0	0	0	0	111.7	E671 D672 R679	E671-A675 WeakPolarHBondContact O-CB 3.32Å; E671-A675 PolarHBondContact O-N 3.3Å; D672-A675 PolarHBondContact O-N 2.89Å; A675-R679 VanDerWaalsContact O-CG 3.24Å; A675-R679 WeakPolarHBondContact O-CG 3.38Å; A675-R679 PolarHBondContact O-N 2.72Å
676	E	62.8	Low	53.6	Low	84 Å²	84	97.8 Å²	97.8	39%	0.393	46%	0.463	S	S	.	.	H	α-helix	trans	-71.2	-38.7	176.4	-164.8	60.1	-154.7	0	0	112.5	D672 E673 E674 R679 Q680	D672-E676 WeakPolarHBondContact O-CB 3.46Å; D672-E676 PolarHBondContact O-N 3.19Å; E673-E676 PolarHBondContact O-N 3.48Å; E674-E676 VanDerWaalsContact C-N 3.26Å; E674-E676 PolarHBondContact O-N 3.27Å; E676-R679 WeakPolarHBondContact O-CB 3.16Å; E676-R679 PolarHBondContact O-N 2.82Å; E676-R679 WeakPolarHBondContact OE2-CD 3.31Å; E676-R679 IonicContact OE2-CZ 3.3Å; E676-R679 IonicContact OE2-NE 3.74Å; E676-R679 IonicContact OE2-NH1 3.43Å; E676-R679 PolarHBondContact OE2-NH1 3.37Å; E676-Q680 WeakPolarHBondContact O-CG 3.46Å; E676-Q680 PolarHBondContact O-N 3.41Å
677	R	64.1	Low	52.9	Low	130 Å²	130	95.6 Å²	95.6	49%	0.491	46%	0.46	S	S	.	.	H	α-helix	trans	-64.6	-42.2	173.2	-71.6	177.3	-160.1	-173.2	9	111.7	E673 E674 R679 Q680 N681	E673-R677 VanDerWaalsContact O-CG 3.32Å; E673-R677 WeakPolarHBondContact O-CG 3.32Å; E673-R677 PolarHBondContact O-N 2.92Å; E673-R677 IonicContact OE2-CZ 2.82Å; E673-R677 IonicContact OE2-NH2 3.92Å; E673-R677 PolarHBondContact OE2-NH2 3.07Å; E674-R677 PolarHBondContact O-N 3.5Å; R677-R679 VanDerWaalsContact C-N 3.31Å; R677-R679 PolarHBondContact O-N 3.07Å; R677-Q680 PolarHBondContact O-N 3.46Å; R677-N681 WeakPolarHBondContact O-CB 3.46Å; R677-N681 VanDerWaalsContact O-CG 3.31Å; R677-N681 PolarHBondContact O-N 2.88Å; R677-N681 VanDerWaalsContact O-N 3.11Å; R677-N681 PolarHBondContact O-ND2 2.91Å
678	D	61.8	Low	52.1	Low	1 Å²	1	94.6 Å²	94.6	1%	0.005	46%	0.459	C	S	.	.	H	α-helix	trans	-61.3	-43.4	176.4	-69.1	-15.4	0	0	0	109.6	R592 S641 E674 Q680 N681 I682	R592-D678 IonicContact NH1-OD2 3.17Å; R592-D678 PolarHBondContact NH1-OD2 2.75Å; S641-D678 PolarHBondContact N-OD1 3.2Å; S641-D678 VanDerWaalsContact N-OD1 3.13Å; S641-D678 PolarHBondContact OG-OD1 2.84Å; E674-D678 WeakPolarHBondContact O-CB 3.04Å; E674-D678 VanDerWaalsContact O-CG 3.25Å; E674-D678 PolarHBondContact O-N 3.33Å; D678-Q680 PolarHBondContact O-N 2.77Å; D678-N681 CarbonylContact O-C 3.48Å; D678-N681 PolarHBondContact O-N 3.19Å; D678-N681 VanDerWaalsContact O-N 3.08Å; D678-I682 WeakPolarHBondContact O-CG1 3.44Å; D678-I682 PolarHBondContact O-N 3.33Å; D678-I682 VanDerWaalsContact O-N 3.07Å
679	R	62.3	Low	51	Low	83 Å²	83	86.6 Å²	86.6	31%	0.313	45%	0.451	S	S	.	.	H	α-helix	trans	-57.3	-45.5	174.5	-74	168.9	-168.4	173.4	0.9	113.3	A675 E676 R677 N681 I682	A675-R679 VanDerWaalsContact O-CG 3.24Å; A675-R679 WeakPolarHBondContact O-CG 3.38Å; A675-R679 PolarHBondContact O-N 2.72Å; E676-R679 WeakPolarHBondContact O-CB 3.16Å; E676-R679 PolarHBondContact O-N 2.82Å; E676-R679 WeakPolarHBondContact OE2-CD 3.31Å; E676-R679 IonicContact OE2-CZ 3.3Å; E676-R679 IonicContact OE2-NE 3.74Å; E676-R679 IonicContact OE2-NH1 3.43Å; E676-R679 PolarHBondContact OE2-NH1 3.37Å; R677-R679 VanDerWaalsContact C-N 3.31Å; R677-R679 PolarHBondContact O-N 3.07Å; R679-N681 PolarHBondContact O-N 3.39Å; R679-I682 PolarHBondContact O-N 3.23Å
680	Q	57.4	Low	49.7	Very low	146 Å²	146	90 Å²	90	68%	0.682	48%	0.479	S	S	*	.	H	α-helix	trans	-64.7	-27.9	177.8	-70.2	176.8	12.2	0	0	112.5	E676 R677 D678	E676-Q680 WeakPolarHBondContact O-CG 3.46Å; E676-Q680 PolarHBondContact O-N 3.41Å; R677-Q680 PolarHBondContact O-N 3.46Å; D678-Q680 PolarHBondContact O-N 2.77Å
681	N	54.3	Low	47.8	Very low	86 Å²	86	93.6 Å²	93.6	46%	0.46	50%	0.497	S	S	.	.	H	α-helix	trans	-90.2	-5.4	-179.9	-70.1	-41.8	0	0	0	113.9	P638 R677 D678 R679 K683	P638-N681 HydrophobicContact CB-CB 4.11Å; P638-N681 HydrophobicContact CG-CB 4.14Å; R677-N681 WeakPolarHBondContact O-CB 3.46Å; R677-N681 VanDerWaalsContact O-CG 3.31Å; R677-N681 PolarHBondContact O-N 2.88Å; R677-N681 VanDerWaalsContact O-N 3.11Å; R677-N681 PolarHBondContact O-ND2 2.91Å; D678-N681 CarbonylContact O-C 3.48Å; D678-N681 PolarHBondContact O-N 3.19Å; D678-N681 VanDerWaalsContact O-N 3.08Å; R679-N681 PolarHBondContact O-N 3.39Å; N681-K683 PolarHBondContact O-N 2.93Å
682	I	55.6	Low	46.2	Very low	23 Å²	23	97.1 Å²	97.1	12%	0.118	52%	0.524	C	S	.	.	S	Bend	trans	-66.4	100.8	168.1	-62.3	169.1	0	0	0	107	F635 P638 D678 R679 S684	F635-I682 HydrophobicContact CD2-CG2 4.13Å; F635-I682 HydrophobicContact CE2-CG2 3.59Å; P638-I682 HydrophobicContact CG-CG1 4.16Å; D678-I682 WeakPolarHBondContact O-CG1 3.44Å; D678-I682 PolarHBondContact O-N 3.33Å; D678-I682 VanDerWaalsContact O-N 3.07Å; R679-I682 PolarHBondContact O-N 3.23Å; I682-S684 PolarHBondContact O-N 3.43Å; I682-S684 VanDerWaalsContact O-N 3.15Å
683	K	41.6	Very low	44.6	Very low	173 Å²	173	100.6 Å²	100.6	75%	0.752	54%	0.536	S	S	*	.			trans	-64.7	116.2	-179.4	-69.7	-174.6	178.1	-177.5	0	109.7	N681	N681-K683 PolarHBondContact O-N 2.93Å
684	S	34.4	Very low	42.7	Very low	67 Å²	67	99 Å²	99	47%	0.469	55%	0.547	S	S	.	.			trans	-76.8	149.8	164.2	66.3	0	0	0	0	110	I682 F686	I682-S684 PolarHBondContact O-N 3.43Å; I682-S684 VanDerWaalsContact O-N 3.15Å; S684-F686 PolarHBondContact O-N 3.45Å; S684-F686 VanDerWaalsContact O-N 3.09Å
685	P	33.2	Very low	40.9	Very low	85 Å²	85	108.5 Å²	108.5	55%	0.552	59%	0.588	S	S	*	*	S	Bend	trans	-67.5	-10.7	-175.4	-16.4	30	0	0	0	114.3
686	F	27.6	Very low	39.5	Very low	172 Å²	172	117.4 Å²	117.4	75%	0.754	62%	0.623	S	S	*	*			trans	-130.9	87	-177	-72	-81.7	0	0	0	111.5	S684 L688	S684-F686 PolarHBondContact O-N 3.45Å; S684-F686 VanDerWaalsContact O-N 3.09Å; F686-L688 PolarHBondContact O-N 3.34Å
687	S	24.8	Very low	37.9	Very low	113 Å²	113	122.8 Å²	122.8	79%	0.79	65%	0.645	S	S	*	*			trans	-89.9	82.6	151.2	16.3	0	0	0	0	107.7	G689	S687-G689 PolarHBondContact O-N 2.91Å
688	L	27.2	Very low	36.3	Very low	154 Å²	154	125.8 Å²	125.8	81%	0.806	67%	0.665	S	S	*	*			trans	-60.9	108.8	158	-100.4	155.9	0	0	0	106.3	F686 V690	F686-L688 PolarHBondContact O-N 3.34Å; L688-V690 PolarHBondContact O-N 2.92Å
689	G	25.5	Very low	34.7	Very low	69 Å²	69	135 Å²	135	71%	0.711	71%	0.707	S	S	*	*			trans	-54	108	-180	0	0	0	0	0	110.4	S687 L691	S687-G689 PolarHBondContact O-N 2.91Å; G689-L691 VanDerWaalsContact C-N 3.31Å; G689-L691 PolarHBondContact O-N 2.95Å
690	V	25.5	Very low	33.3	Very low	140 Å²	140	134.4 Å²	134.4	85%	0.848	73%	0.727	S	S	*	*			trans	-72	97.3	161.7	-179.8	0	0	0	0	105.8	L688	L688-V690 PolarHBondContact O-N 2.92Å
691	L	26.5	Very low	32	Very low	148 Å²	148	135.1 Å²	135.1	78%	0.775	73%	0.73	S	S	*	*			trans	-45.6	132.2	162.5	-84.1	153.9	0	0	0	108.6	G689 Q693	G689-L691 VanDerWaalsContact C-N 3.31Å; G689-L691 PolarHBondContact O-N 2.95Å; L691-Q693 PolarHBondContact O-N 3.12Å; L691-Q693 VanDerWaalsContact O-N 3.07Å
692	P	28.6	Very low	30.8	Very low	119 Å²	119	139.3 Å²	139.3	77%	0.773	74%	0.741	S	S	*	*			trans	-61.7	119.7	177.4	-7	18.1	0	0	0	108.1	G694	P692-G694 PolarHBondContact O-N 3.47Å
693	Q	28.3	Very low	29.5	Very low	192 Å²	192	148.4 Å²	148.4	90%	0.897	77%	0.774	S	S	*	*			trans	-56	111.6	172.3	-83.7	-175.4	-8	0	0	108.7	L691 K695	L691-Q693 PolarHBondContact O-N 3.12Å; L691-Q693 VanDerWaalsContact O-N 3.07Å; Q693-K695 PolarHBondContact O-N 3.46Å
694	G	28	Very low	29.1	Very low	68 Å²	68	151.2 Å²	151.2	70%	0.701	80%	0.797	S	S	*	*			trans	-56.2	130.9	176.7	0	0	0	0	0	110.7	P692 K696	P692-G694 PolarHBondContact O-N 3.47Å; G694-K696 PolarHBondContact O-N 3.1Å
695	K	30.1	Very low	28.9	Very low	206 Å²	206	155.5 Å²	155.5	90%	0.896	81%	0.814	S	S	*	*			trans	-50.3	110.7	164.7	-75.5	177.9	174.7	176.8	0	108.6	Q693 K697	Q693-K695 PolarHBondContact O-N 3.46Å; K695-K697 PolarHBondContact O-N 2.89Å
696	K	29.2	Very low	28.6	Very low	206 Å²	206	159.2 Å²	159.2	90%	0.896	83%	0.828	S	S	*	*			trans	-56.7	104	164.4	-83	-178.7	174.7	177.4	0	108	G694 Q698	G694-K696 PolarHBondContact O-N 3.1Å; K696-Q698 PolarHBondContact O-N 3.1Å
697	K	29.8	Very low	28.7	Very low	197 Å²	197	158.4 Å²	158.4	86%	0.857	83%	0.832	S	S	*	*			trans	-65.6	122.3	161.9	-85	-177.4	173.7	179.9	0	107.4	K695 H699	K695-K697 PolarHBondContact O-N 2.89Å; K697-H699 PolarHBondContact O-N 3.22Å
698	Q	30.1	Very low	28.9	Very low	194 Å²	194	161.1 Å²	161.1	91%	0.907	83%	0.834	S	S	*	*			trans	-59.3	122.7	168.2	-75.7	173.8	-16.1	0	0	108.8	K696 G700	K696-Q698 PolarHBondContact O-N 3.1Å; Q698-G700 PolarHBondContact O-N 2.8Å
699	H	29.5	Very low	29	Very low	194 Å²	194	161.6 Å²	161.6	90%	0.898	84%	0.836	S	S	*	*			trans	-74.9	105.1	161.2	-98.6	-58	0	0	0	107.8	K697	K697-H699 PolarHBondContact O-N 3.22Å
700	G	31.6	Very low	29.3	Very low	71 Å²	71	167.7 Å²	167.7	73%	0.732	84%	0.844	S	S	*	*			trans	-81.8	128.2	159.6	0	0	0	0	0	109.3	Q698	Q698-G700 PolarHBondContact O-N 2.8Å
701	E	30.8	Very low	29.5	Very low	160 Å²	160	169.7 Å²	169.7	75%	0.748	84%	0.844	S	S	*	*			trans	-68.7	154.1	173.6	-87.3	-178.8	149.3	0	0	113.6
702	Y	28.3	Very low	29.8	Very low	174 Å²	174	171.4 Å²	171.4	68%	0.682	85%	0.849	S	S	*	*			trans	84.7	117.5	152.7	-71.2	-63.5	0	0	0	122.5
703	R	29.9	Very low	29.9	Very low	214 Å²	214	175.8 Å²	175.8	81%	0.808	86%	0.856	S	S	*	*				97.5	120.7	120.5	-92.5	165.9	-176.4	-174.4	1.5	119.6
704	N	33.1	Very low	30	Very low	233 Å²	233	174.3 Å²	174.3	100%	1.246	85%	0.852	S	S	*	*			trans	79.2	0	159.1	-66.7	-1.5	0	0	0	117.5

Retrieved 704 of 704 residues in 1763.8 ms (Link to these results)

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