A0A087X4M1_POEFO Loading...

Protein O-glucosyltransferase 2

AlphaFold DB , UniProt , Accession A0A087X4M1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 503 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	36	Very low	33.7	Very low	236 Å²	236	163.3 Å²	163.3	100%	1.163	84%	0.841	S	S	*	*				0	137.3	0	-97.1	168.5	62.6	0	0	108.7
2	S	33.5	Very low	33.4	Very low	109 Å²	109	158.8 Å²	158.8	76%	0.762	84%	0.835	S	S	*	*			trans	70.2	95.6	170.7	-65.5	0	0	0	0	116.7
3	V	32.8	Very low	33.3	Very low	143 Å²	143	158.4 Å²	158.4	87%	0.867	83%	0.832	S	S	*	*				92.1	123.6	70.9	170.4	0	0	0	0	111.6
4	R	34.3	Very low	33	Very low	232 Å²	232	159.1 Å²	159.1	88%	0.875	83%	0.829	S	S	*	*			trans	-57.5	149.5	-178.5	-66.5	168.4	168	-177.8	-4.6	113.5
5	L	32.6	Very low	32.9	Very low	154 Å²	154	155.6 Å²	155.6	81%	0.806	82%	0.817	S	S	*	*			trans	-153.7	112.3	133.6	-144.6	72	0	0	0	110.4	L7	L5-L7 HydrophobicContact CD2-CD1 3.84Å; L5-L7 HydrophobicContact CG-CD1 4.41Å
6	L	37.1	Very low	32.6	Very low	155 Å²	155	157.8 Å²	157.8	81%	0.812	82%	0.818	S	S	*	*			trans	-85.5	125.7	167.6	-126.2	89.9	0	0	0	106.9
7	L	33.6	Very low	32.3	Very low	153 Å²	153	160.9 Å²	160.9	80%	0.801	82%	0.817	S	S	*	*			trans	-126.2	107.3	166.1	-104.9	133.6	0	0	0	108.5	L5	L5-L7 HydrophobicContact CD2-CD1 3.84Å; L5-L7 HydrophobicContact CG-CD1 4.41Å
8	L	33.5	Very low	31.9	Very low	145 Å²	145	158.3 Å²	158.3	76%	0.759	81%	0.814	S	S	*	*			trans	-74.7	123.7	173.5	-86.4	143.1	0	0	0	109.4	V10	L8-V10 PolarHBondContact O-N 2.88Å
9	L	32.2	Very low	31.6	Very low	156 Å²	156	158.4 Å²	158.4	82%	0.817	81%	0.811	S	S	*	*			trans	-70.3	109.1	164.4	-89.2	141.7	0	0	0	109
10	V	32.6	Very low	31.6	Very low	131 Å²	131	158.6 Å²	158.6	79%	0.794	81%	0.813	S	S	*	*			trans	-87.5	107.7	167.6	177.5	0	0	0	0	107.6	L8 S12	L8-V10 PolarHBondContact O-N 2.88Å; V10-S12 PolarHBondContact O-N 3.02Å
11	F	32.6	Very low	31.6	Very low	182 Å²	182	155.7 Å²	155.7	80%	0.798	81%	0.807	S	S	*	*			trans	-75.1	111.5	164.2	-90.1	-93.5	0	0	0	108.6	L13	F11-L13 PolarHBondContact O-N 3.37Å
12	S	30	Very low	31.4	Very low	109 Å²	109	147.9 Å²	147.9	76%	0.762	79%	0.787	S	S	*	*			trans	-76	100.2	167.9	40.9	0	0	0	0	109.9	V10 E14	V10-S12 PolarHBondContact O-N 3.02Å; S12-E14 PolarHBondContact O-N 3.05Å
13	L	32.1	Very low	31.2	Very low	154 Å²	154	150.7 Å²	150.7	81%	0.806	79%	0.788	S	S	*	*			trans	-79	96.6	162.6	-91.8	141.5	0	0	0	108.2	F11 V15	F11-L13 PolarHBondContact O-N 3.37Å; L13-V15 VanDerWaalsContact C-N 3.29Å; L13-V15 PolarHBondContact O-N 2.73Å
14	E	29.2	Very low	31.4	Very low	169 Å²	169	153.6 Å²	153.6	79%	0.79	79%	0.789	S	S	*	*			trans	-69.1	91	161.4	-79	-165.2	164.6	0	0	108.8	S12 F16	S12-E14 PolarHBondContact O-N 3.05Å; E14-F16 PolarHBondContact O-N 3.49Å
15	V	31.5	Very low	31.7	Very low	106 Å²	106	148.5 Å²	148.5	64%	0.642	78%	0.783	S	S	*	*			trans	-77.2	104.4	160.6	177.8	0	0	0	0	106.3	L13 R17	L13-V15 VanDerWaalsContact C-N 3.29Å; L13-V15 PolarHBondContact O-N 2.73Å; V15-R17 HydrophobicContact CG1-CG 4.26Å; V15-R17 PolarHBondContact O-N 3.49Å
16	F	28.6	Very low	32.5	Very low	191 Å²	191	144 Å²	144	84%	0.838	77%	0.773	S	S	*	*			trans	-60.5	84.8	160.8	-99.4	-93.7	0	0	0	108.5	E14 C18	E14-F16 PolarHBondContact O-N 3.49Å; F16-C18 PolarHBondContact O-N 3.05Å
17	R	26.4	Very low	33.7	Very low	210 Å²	210	139 Å²	139	79%	0.792	75%	0.752	S	S	*	*			trans	-76.2	104.3	158.1	-100.3	-178	174.9	-179.4	-0.8	106.1	V15 E19	V15-R17 HydrophobicContact CG1-CG 4.26Å; V15-R17 PolarHBondContact O-N 3.49Å; R17-E19 PolarHBondContact O-N 2.78Å
18	C	25.6	Very low	36.3	Very low	114 Å²	114	136.7 Å²	136.7	77%	0.77	74%	0.744	S	S	*	*			trans	-63.5	86.7	160.2	-162.6	0	0	0	0	107	F16 L20	F16-C18 PolarHBondContact O-N 3.05Å; C18-L20 VanDerWaalsContact C-N 3.26Å; C18-L20 PolarHBondContact O-N 2.96Å
19	E	26.7	Very low	39.1	Very low	161 Å²	161	131.4 Å²	131.4	75%	0.752	72%	0.716	S	S	*	*			trans	-66.8	95.4	159.9	-78.7	-175.6	168.7	0	0	106.4	R17 S21	R17-E19 PolarHBondContact O-N 2.78Å; E19-S21 PolarHBondContact O-N 3.5Å
20	L	30.7	Very low	42.1	Very low	162 Å²	162	125.2 Å²	125.2	85%	0.848	69%	0.685	S	S	*	*			trans	-64.4	79.6	153.5	-85.5	153.9	0	0	0	106.8	C18 G22	C18-L20 VanDerWaalsContact C-N 3.26Å; C18-L20 PolarHBondContact O-N 2.96Å; L20-G22 PolarHBondContact O-N 3.08Å
21	S	31.9	Very low	45.1	Very low	98 Å²	98	119.2 Å²	119.2	69%	0.685	65%	0.65	S	S	*	*			trans	-62.5	92.2	155	48.9	0	0	0	0	106.2	E19 E23	E19-S21 PolarHBondContact O-N 3.5Å; S21-E23 PolarHBondContact O-N 2.97Å
22	G	31.7	Very low	48	Very low	72 Å²	72	114.5 Å²	114.5	74%	0.742	64%	0.644	S	S	*	*			trans	-64.4	79.6	160.9	0	0	0	0	0	108.1	L20 K24	L20-G22 PolarHBondContact O-N 3.08Å; G22-K24 VanDerWaalsContact C-N 3.33Å; G22-K24 PolarHBondContact O-N 3.43Å
23	E	30.3	Very low	51.1	Low	167 Å²	167	113.7 Å²	113.7	78%	0.78	63%	0.627	S	S	*	*			trans	-51.7	107.7	153.3	-82.6	-173.9	151.3	0	0	105.6	S21 V25	S21-E23 PolarHBondContact O-N 2.97Å; E23-V25 PolarHBondContact O-N 2.97Å
24	K	36.3	Very low	54.2	Low	204 Å²	204	106.4 Å²	106.4	89%	0.887	59%	0.589	S	S	*	*			trans	-58.2	95.8	159.8	-86.1	-179.8	175.3	176.6	0	104.9	G22 G26	G22-K24 VanDerWaalsContact C-N 3.33Å; G22-K24 PolarHBondContact O-N 3.43Å; K24-G26 PolarHBondContact O-N 2.86Å
25	V	39.9	Very low	57.5	Low	126 Å²	126	102.4 Å²	102.4	76%	0.764	57%	0.573	S	S	*	*			trans	-51.5	100.9	163.7	177.5	0	0	0	0	104.6	E23 S27	E23-V25 PolarHBondContact O-N 2.97Å; V25-S27 PolarHBondContact O-N 2.78Å
26	G	51.1	Low	60.7	Low	58 Å²	58	98.3 Å²	98.3	60%	0.598	55%	0.548	S	S	*	.			trans	-55.6	114.9	178.6	0	0	0	0	0	106.2	K24 V28	K24-G26 PolarHBondContact O-N 2.86Å; G26-V28 PolarHBondContact O-N 2.8Å
27	S	61.9	Low	64	Low	52 Å²	52	94.8 Å²	94.8	36%	0.364	53%	0.529	S	S	.	.			trans	-57.3	109	-173.9	67.3	0	0	0	0	107.9	V25 I29	V25-S27 PolarHBondContact O-N 2.78Å; S27-I29 PolarHBondContact O-N 2.96Å; S27-I29 VanDerWaalsContact O-N 3.07Å
28	V	87.4	Confident	67.3	Low	103 Å²	103	85.3 Å²	85.3	62%	0.624	50%	0.497	S	S	*	.			trans	-65	116.6	-177.6	-179.9	0	0	0	0	107.3	G26 S30 S59	G26-V28 PolarHBondContact O-N 2.8Å; V28-S30 PolarHBondContact O-N 3.34Å; V28-S59 PolarHBondContact O-N 2.88Å
29	I	93.4	Very high	70.7	Confident	34 Å²	34	80.7 Å²	80.7	17%	0.174	47%	0.465	C	S	.	.	B	Isolated β-bridge	trans	-66	131	-178.9	-53.2	169.2	0	0	0	108.3	S27 A56 L64 P68 T72 F73 L118	S27-I29 PolarHBondContact O-N 2.96Å; S27-I29 VanDerWaalsContact O-N 3.07Å; I29-A56 HydrophobicContact CG2-CB 4.25Å; I29-L64 HydrophobicContact CD1-CD2 4.49Å; I29-L64 HydrophobicContact CG1-CD2 4.21Å; I29-P68 HydrophobicContact CD1-CB 3.37Å; I29-P68 HydrophobicContact CD1-CG 3.9Å; I29-P68 HydrophobicContact CG1-CB 4.41Å; I29-T72 HydrophobicContact CD1-CG2 3.57Å; I29-F73 HydrophobicContact CG2-CZ 4.47Å; I29-L118 HydrophobicContact CB-CD2 3.95Å; I29-L118 HydrophobicContact CG2-CD1 4.48Å; I29-L118 HydrophobicContact CG2-CD2 3.69Å
30	S	94.9	Very high	74.1	Confident	26 Å²	26	73.1 Å²	73.1	18%	0.182	43%	0.43	C	S	.	.			trans	-94.2	115.8	177.8	178.9	0	0	0	0	110.3	V28 A32 K33 T34 V57	V28-S30 PolarHBondContact O-N 3.34Å; S30-A32 VanDerWaalsContact C-N 3.26Å; S30-A32 PolarHBondContact O-N 3.3Å; S30-K33 PolarHBondContact O-N 2.91Å; S30-K33 PolarHBondContact OG-N 3.38Å; S30-T34 WeakPolarHBondContact O-CB 3.33Å; S30-T34 PolarHBondContact O-N 3.04Å; S30-T34 PolarHBondContact O-OG1 3.49Å; S30-V57 PolarHBondContact N-O 2.77Å
31	A	94.1	Very high	77.3	Confident	5 Å²	5	66.3 Å²	66.3	4%	0.041	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-41.4	173.3	0	0	0	0	0	111.8	L118 Q121 V123 A124	A31-L118 HydrophobicContact CB-CB 4.41Å; A31-L118 HydrophobicContact CB-CD2 4.08Å; A31-Q121 HydrophobicContact CB-CB 4.48Å; A31-Q121 HydrophobicContact CB-CG 4.08Å; A31-V123 HydrophobicContact CB-CG1 4.04Å; A31-V123 VanDerWaalsContact O-CA 3.26Å; A31-V123 WeakPolarHBondContact O-CA 3.31Å; A31-V123 WeakPolarHBondContact O-CB 3.43Å; A31-A124 PolarHBondContact O-N 3.1Å
32	A	93.7	Very high	80.3	Confident	83 Å²	83	65.3 Å²	65.3	69%	0.686	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-34.9	-178.1	0	0	0	0	0	113.2	S30	S30-A32 VanDerWaalsContact C-N 3.26Å; S30-A32 PolarHBondContact O-N 3.3Å
33	K	95.6	Very high	83.4	Confident	92 Å²	92	62.6 Å²	62.6	40%	0.4	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-16.4	-179	-60.4	-174.9	173.1	-177	0	114.1	S30 V57 S59 S60	S30-K33 PolarHBondContact O-N 2.91Å; S30-K33 PolarHBondContact OG-N 3.38Å; K33-V57 HydrophobicContact CB-CB 4.11Å; K33-V57 HydrophobicContact CB-CG1 3.76Å; K33-V57 WeakPolarHBondContact O-CB 3.23Å; K33-V57 VanDerWaalsContact O-CG2 3.3Å; K33-V57 WeakPolarHBondContact O-CG2 3.47Å; K33-S59 PolarHBondContact NZ-O 3.41Å; K33-S60 VanDerWaalsContact NZ-C 3.33Å; K33-S60 PolarHBondContact NZ-O 2.95Å
34	T	97.7	Very high	86.4	Confident	2 Å²	2	58 Å²	58	1%	0.012	33%	0.33	C	S	.	.			trans	-51.8	139.4	172.5	-69.7	0	0	0	0	109.5	S30 I54 Q55 F73 V123 A124	S30-T34 WeakPolarHBondContact O-CB 3.33Å; S30-T34 PolarHBondContact O-N 3.04Å; S30-T34 PolarHBondContact O-OG1 3.49Å; T34-I54 HydrophobicContact CG2-CG2 3.55Å; T34-Q55 WeakPolarHBondContact CG2-O 3.44Å; T34-F73 HydrophobicContact CG2-CE1 3.81Å; T34-F73 HydrophobicContact CG2-CZ 3.82Å; T34-V123 HydrophobicContact CG2-CB 3.96Å; T34-V123 HydrophobicContact CG2-CG1 4.43Å; T34-V123 HydrophobicContact CG2-CG2 3.99Å; T34-A124 WeakPolarHBondContact O-CB 3.37Å
35	L	98.2	Very high	89.2	Confident	85 Å²	85	48.4 Å²	48.4	45%	0.445	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.9	-179.1	-49.9	173.4	0	0	0	109.9	W37 I54 Q55 V57	L35-W37 HydrophobicContact CB-CE3 4.07Å; L35-W37 HydrophobicContact CB-CZ3 3.92Å; L35-I54 CarbonylContact O-C 3.47Å; L35-I54 VanDerWaalsContact O-CA 3.32Å; L35-I54 WeakPolarHBondContact O-CA 3.48Å; L35-Q55 HydrophobicContact CB-CB 4.15Å; L35-Q55 PolarHBondContact N-O 2.92Å; L35-Q55 VanDerWaalsContact N-O 3.07Å; L35-Q55 PolarHBondContact O-N 2.91Å; L35-V57 HydrophobicContact CG-CG2 4.16Å
36	V	98.6	Very high	91.8	Very high	19 Å²	19	42.8 Å²	42.8	12%	0.115	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.1	174.3	-166.5	0	0	0	0	109.2	L41 F52 Y53 I54 V123 A124 Y128	V36-L41 HydrophobicContact CG1-CD1 3.97Å; V36-F52 HydrophobicContact CG1-CD2 3.51Å; V36-F52 HydrophobicContact CG1-CE2 3.72Å; V36-Y53 VanDerWaalsContact CA-O 3.26Å; V36-Y53 WeakPolarHBondContact CA-O 3.25Å; V36-Y53 VanDerWaalsContact CG1-O 3.31Å; V36-Y53 WeakPolarHBondContact CG1-O 3.45Å; V36-I54 HydrophobicContact CG1-CG1 4.15Å; V36-I54 HydrophobicContact CG2-CG1 4.33Å; V36-I54 HydrophobicContact CG2-CG2 4.37Å; V36-V123 HydrophobicContact CG2-CG2 3.79Å; V36-A124 HydrophobicContact CG2-CB 3.99Å; V36-Y128 HydrophobicContact CB-CE2 4.08Å; V36-Y128 WeakPolarHBondContact CB-OH 3.26Å; V36-Y128 HydrophobicContact CG1-CE2 4.04Å; V36-Y128 HydrophobicContact CG2-CE2 4.32Å
37	W	97.9	Very high	94	Very high	118 Å²	118	40.4 Å²	40.4	45%	0.447	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	157	-178.7	71.8	99.4	0	0	0	111.1	L35 F52 Y53 Q55	L35-W37 HydrophobicContact CB-CE3 4.07Å; L35-W37 HydrophobicContact CB-CZ3 3.92Å; W37-F52 WeakPolarHBondContact O-CB 3.47Å; W37-Y53 HydrophobicContact CZ2-CD2 4.45Å; W37-Y53 HydrophobicContact CZ2-CG 4.16Å; W37-Y53 PolarHBondContact N-O 2.71Å; W37-Y53 VanDerWaalsContact N-O 3.12Å; W37-Y53 AromaticContact NE1-CD2 3.75Å; W37-Y53 PolarHBondContact O-N 3.46Å; W37-Q55 HydrophobicContact CH2-CB 3.78Å; W37-Q55 HydrophobicContact CZ3-CB 3.58Å
38	G	96.8	Very high	95.7	Very high	11 Å²	11	38 Å²	38	11%	0.113	21%	0.212	C	C	.	.	S	Bend	trans	145.4	168.8	170.5	0	0	0	0	0	113.1	G40 L41	G38-G40 VanDerWaalsContact C-N 3.26Å; G38-G40 PolarHBondContact O-N 3.24Å; G38-L41 PolarHBondContact O-N 3.01Å; G38-L41 VanDerWaalsContact O-N 3.15Å
39	P	96.5	Very high	96.1	Very high	17 Å²	17	33.4 Å²	33.4	11%	0.11	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-64.8	-28.1	-173.5	23.9	-32.5	0	0	0	113.5	L41 E42 I45 F51	P39-L41 PolarHBondContact O-N 2.97Å; P39-L41 VanDerWaalsContact O-N 3.1Å; P39-E42 PolarHBondContact O-N 3.03Å; P39-E42 VanDerWaalsContact O-N 3.1Å; P39-I45 HydrophobicContact CB-CD1 3.61Å; P39-I45 HydrophobicContact CB-CG2 4.02Å; P39-F51 WeakPolarHBondContact CD-O 3.32Å; P39-F51 HydrophobicContact CG-CD1 4.37Å; P39-F51 HydrophobicContact CG-CD2 4.06Å; P39-F51 HydrophobicContact CG-CE1 3.89Å; P39-F51 HydrophobicContact CG-CE2 3.52Å; P39-F51 HydrophobicContact CG-CG 4.45Å; P39-F51 HydrophobicContact CG-CZ 3.42Å; P39-F51 VanDerWaalsContact CG-CZ 3.42Å
40	G	97.3	Very high	96.3	Very high	1 Å²	1	32 Å²	32	1%	0.01	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-70.5	2.7	175.9	0	0	0	0	0	114.7	G38 F51 Y103 I114	G38-G40 VanDerWaalsContact C-N 3.26Å; G38-G40 PolarHBondContact O-N 3.24Å; G40-F51 VanDerWaalsContact CA-O 3.32Å; G40-F51 WeakPolarHBondContact CA-O 3.33Å; G40-F51 PolarHBondContact N-O 3.35Å; G40-Y103 PolarHBondContact O-OH 3.36Å; G40-I114 WeakPolarHBondContact O-CD1 3.49Å
41	L	97.3	Very high	96.5	Very high	20 Å²	20	31 Å²	31	11%	0.105	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-99.8	2.8	170.2	-58.1	177.7	0	0	0	112.6	V36 G38 P39 F52 I114 Y128 L130	V36-L41 HydrophobicContact CG1-CD1 3.97Å; G38-L41 PolarHBondContact O-N 3.01Å; G38-L41 VanDerWaalsContact O-N 3.15Å; P39-L41 PolarHBondContact O-N 2.97Å; P39-L41 VanDerWaalsContact O-N 3.1Å; L41-F52 HydrophobicContact CD1-CB 4.31Å; L41-F52 HydrophobicContact CD1-CG 4.49Å; L41-F52 HydrophobicContact CD2-CB 4.25Å; L41-F52 HydrophobicContact CD2-CD1 3.81Å; L41-F52 HydrophobicContact CD2-CD2 4.13Å; L41-F52 HydrophobicContact CD2-CE1 4.12Å; L41-F52 HydrophobicContact CD2-CE2 4.41Å; L41-F52 HydrophobicContact CD2-CG 3.81Å; L41-F52 HydrophobicContact CD2-CZ 4.4Å; L41-F52 HydrophobicContact CG-CB 3.87Å; L41-F52 HydrophobicContact CG-CD1 4.34Å; L41-F52 HydrophobicContact CG-CD2 4.47Å; L41-F52 HydrophobicContact CG-CG 4Å; L41-I114 HydrophobicContact CD2-CD1 3.91Å; L41-Y128 HydrophobicContact CD1-CD1 3.97Å; L41-Y128 HydrophobicContact CD1-CE1 4.01Å; L41-Y128 HydrophobicContact CD1-CG 4.33Å; L41-Y128 HydrophobicContact CD2-CD1 4.39Å; L41-Y128 HydrophobicContact CD2-CD2 4.16Å; L41-Y128 HydrophobicContact CD2-CG 3.97Å; L41-L130 VanDerWaalsContact O-CD1 3.3Å; L41-L130 WeakPolarHBondContact O-CD1 3.27Å
42	E	96.4	Very high	96.7	Very high	76 Å²	76	30.8 Å²	30.8	36%	0.355	17%	0.167	S	C	.	.			trans	-109.4	129.8	-176.8	-52.3	-66	168.9	0	0	110.1	P39 D44 I45 R50 R154	P39-E42 PolarHBondContact O-N 3.03Å; P39-E42 VanDerWaalsContact O-N 3.1Å; E42-D44 PolarHBondContact O-N 3.01Å; E42-I45 HydrophobicContact CB-CB 4.3Å; E42-I45 HydrophobicContact CB-CD1 3.84Å; E42-I45 HydrophobicContact CB-CG1 3.94Å; E42-I45 HydrophobicContact CG-CD1 3.9Å; E42-R50 PolarHBondContact O-NH1 3.17Å; E42-R154 IonicContact OE1-CZ 2.7Å; E42-R154 IonicContact OE1-NH2 2.77Å; E42-R154 PolarHBondContact OE1-NH2 3.42Å
43	A	95.5	Very high	96.9	Very high	16 Å²	16	27.9 Å²	27.9	13%	0.132	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-45	-178.3	0	0	0	0	0	111.8	I45 R50 L130 V134	A43-I45 VanDerWaalsContact C-N 3.32Å; A43-I45 PolarHBondContact O-N 3.28Å; A43-R50 PolarHBondContact O-NH1 2.85Å; A43-R50 PolarHBondContact O-NH2 3.14Å; A43-L130 HydrophobicContact CB-CB 4.02Å; A43-L130 HydrophobicContact CB-CG 4.44Å; A43-V134 HydrophobicContact CB-CG2 4.14Å
44	D	93.8	Very high	97.1	Very high	70 Å²	70	23.5 Å²	23.5	37%	0.374	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.6	-172.7	-75.8	-55.2	0	0	0	115.4	E42 V46 N152 R496	E42-D44 PolarHBondContact O-N 3.01Å; D44-V46 PolarHBondContact O-N 3.45Å; D44-N152 HydrophobicContact CB-CB 3.96Å; D44-N152 VanDerWaalsContact CB-ND2 3.34Å; D44-N152 WeakPolarHBondContact CB-ND2 3.03Å; D44-R496 IonicContact OD1-NH2 2.71Å; D44-R496 PolarHBondContact OD1-NH2 2.92Å; D44-R496 VanDerWaalsContact OD1-NH2 3.15Å
45	I	95.6	Very high	97.1	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.015	12%	0.124	C	C	.	.			trans	-85.3	107.7	175.7	-66.2	-179.7	0	0	0	109.3	P39 E42 A43 L47 R50 N152 M153	P39-I45 HydrophobicContact CB-CD1 3.61Å; P39-I45 HydrophobicContact CB-CG2 4.02Å; E42-I45 HydrophobicContact CB-CB 4.3Å; E42-I45 HydrophobicContact CB-CD1 3.84Å; E42-I45 HydrophobicContact CB-CG1 3.94Å; E42-I45 HydrophobicContact CG-CD1 3.9Å; A43-I45 VanDerWaalsContact C-N 3.32Å; A43-I45 PolarHBondContact O-N 3.28Å; I45-L47 HydrophobicContact CG2-CD1 3.98Å; I45-L47 HydrophobicContact CG2-CG 3.95Å; I45-R50 PolarHBondContact O-NE 2.88Å; I45-R50 PolarHBondContact O-NH1 3.35Å; I45-R50 PolarHBondContact O-NH2 3.24Å; I45-R50 VanDerWaalsContact O-NH2 3.15Å; I45-N152 WeakPolarHBondContact CD1-O 3.28Å; I45-N152 VanDerWaalsContact CG1-O 3.24Å; I45-N152 WeakPolarHBondContact CG1-O 3.05Å; I45-M153 HydrophobicContact CB-SD 4.17Å; I45-M153 HydrophobicContact CG1-SD 4.17Å; I45-M153 HydrophobicContact CG2-CE 4.24Å; I45-M153 HydrophobicContact CG2-SD 3.73Å
46	V	95.3	Very high	97.1	Very high	8 Å²	8	20.4 Å²	20.4	5%	0.048	10%	0.103	C	C	.	.			trans	-101.4	115	179.1	-173.4	0	0	0	0	109.6	D44 K226	D44-V46 PolarHBondContact O-N 3.45Å; V46-K226 HydrophobicContact CB-CD 4.37Å; V46-K226 HydrophobicContact CB-CG 4.14Å; V46-K226 HydrophobicContact CG1-CD 4.4Å; V46-K226 HydrophobicContact CG1-CG 4.07Å; V46-K226 WeakPolarHBondContact O-CD 3.49Å; V46-K226 WeakPolarHBondContact O-CE 3.22Å
47	L	96.9	Very high	97	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.037	10%	0.098	C	C	.	.			trans	-132.5	152.4	176.9	-66.9	173.8	0	0	0	110.5	I45 A49 R50 F51 M153 D452 F455	I45-L47 HydrophobicContact CG2-CD1 3.98Å; I45-L47 HydrophobicContact CG2-CG 3.95Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3.4Å; L47-R50 HydrophobicContact CB-CG 4.28Å; L47-F51 HydrophobicContact CD1-CD1 4.4Å; L47-F51 HydrophobicContact CD1-CE1 3.97Å; L47-M153 HydrophobicContact CD2-CE 3.8Å; L47-M153 HydrophobicContact CG-CE 4.43Å; L47-D452 HydrophobicContact CD1-CB 4.22Å; L47-F455 HydrophobicContact CD2-CD2 3.59Å; L47-F455 HydrophobicContact CD2-CE2 4.03Å; L47-F455 HydrophobicContact CD2-CG 4.41Å
48	P	96.1	Very high	96.8	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.019	8%	0.083	C	C	.	.	S	Bend	trans	-53.6	-48.5	173.6	-23.4	29.2	0	0	0	113	R104 E137 L279 F455	P48-R104 WeakPolarHBondContact O-CG 3.29Å; P48-R104 PolarHBondContact O-NH1 3.23Å; P48-E137 HydrophobicContact CB-CG 4.1Å; P48-E137 VanDerWaalsContact CD-OE2 3.31Å; P48-E137 WeakPolarHBondContact CD-OE2 3.34Å; P48-E137 HydrophobicContact CG-CG 4.26Å; P48-E137 WeakPolarHBondContact CG-OE2 3.35Å; P48-L279 VanDerWaalsContact CB-O 3.28Å; P48-L279 WeakPolarHBondContact CB-O 3.32Å; P48-L279 HydrophobicContact CG-CD2 4.09Å; P48-F455 HydrophobicContact CG-CE2 3.97Å; P48-F455 HydrophobicContact CG-CZ 4.06Å
49	A	96.9	Very high	96.6	Very high	6 Å²	6	18.4 Å²	18.4	5%	0.05	10%	0.104	C	C	.	.	S	Bend	trans	-123.6	121.8	166.7	0	0	0	0	0	108.4	L47 Y103 S281 M282 M290	L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3.4Å; A49-Y103 WeakPolarHBondContact CA-O 3.14Å; A49-S281 VanDerWaalsContact CB-OG 3.29Å; A49-S281 WeakPolarHBondContact CB-OG 3.12Å; A49-M282 HydrophobicContact CB-CB 4.46Å; A49-M282 HydrophobicContact CB-CG 4.2Å; A49-M282 HydrophobicContact CB-SD 4.12Å; A49-M290 HydrophobicContact CB-CE 3.82Å
50	R	97.9	Very high	96.5	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.015	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	151.2	177.1	-66.8	-179.3	-177.7	-131.8	4.6	109.3	E42 A43 I45 L47 R102 Y103 Y135	E42-R50 PolarHBondContact O-NH1 3.17Å; A43-R50 PolarHBondContact O-NH1 2.85Å; A43-R50 PolarHBondContact O-NH2 3.14Å; I45-R50 PolarHBondContact O-NE 2.88Å; I45-R50 PolarHBondContact O-NH1 3.35Å; I45-R50 PolarHBondContact O-NH2 3.24Å; I45-R50 VanDerWaalsContact O-NH2 3.15Å; L47-R50 HydrophobicContact CB-CG 4.28Å; R50-R102 CarbonylContact O-C 3.57Å; R50-R102 VanDerWaalsContact O-CA 3.28Å; R50-R102 WeakPolarHBondContact O-CA 3.41Å; R50-Y103 HydrophobicContact CB-CD1 4.01Å; R50-Y103 HydrophobicContact CB-CD2 4.31Å; R50-Y103 HydrophobicContact CB-CE1 3.48Å; R50-Y103 VanDerWaalsContact CB-CE1 3.48Å; R50-Y103 HydrophobicContact CB-CE2 3.84Å; R50-Y103 HydrophobicContact CB-CG 4.4Å; R50-Y103 WeakPolarHBondContact CD-OH 3.21Å; R50-Y103 HydrophobicContact CG-CE2 4.3Å; R50-Y103 PolarHBondContact N-O 2.89Å; R50-Y103 PolarHBondContact O-N 3.37Å; R50-Y135 PolarHBondContact NH2-O 3Å
51	F	98.3	Very high	96.3	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.022	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	152.1	-176.7	65.9	-88.6	0	0	0	113.7	P39 G40 L47 Y53 L100 V101 R102 M290 M450 D452	P39-F51 WeakPolarHBondContact CD-O 3.32Å; P39-F51 HydrophobicContact CG-CD1 4.37Å; P39-F51 HydrophobicContact CG-CD2 4.06Å; P39-F51 HydrophobicContact CG-CE1 3.89Å; P39-F51 HydrophobicContact CG-CE2 3.52Å; P39-F51 HydrophobicContact CG-CG 4.45Å; P39-F51 HydrophobicContact CG-CZ 3.42Å; P39-F51 VanDerWaalsContact CG-CZ 3.42Å; G40-F51 VanDerWaalsContact CA-O 3.32Å; G40-F51 WeakPolarHBondContact CA-O 3.33Å; G40-F51 PolarHBondContact N-O 3.35Å; L47-F51 HydrophobicContact CD1-CD1 4.4Å; L47-F51 HydrophobicContact CD1-CE1 3.97Å; F51-Y53 HydrophobicContact CD2-CE2 4.09Å; F51-Y53 AromaticContact CE2-CE2 3.99Å; F51-Y53 HydrophobicContact CE2-CE2 3.99Å; F51-L100 HydrophobicContact CB-CD1 3.89Å; F51-L100 HydrophobicContact CD2-CD1 4.01Å; F51-L100 HydrophobicContact CG-CD1 4.32Å; F51-V101 CarbonylContact C-O 3.58Å; F51-V101 WeakPolarHBondContact CA-O 3.49Å; F51-V101 WeakPolarHBondContact CB-O 3.29Å; F51-R102 HydrophobicContact CB-CB 4.26Å; F51-M290 HydrophobicContact CB-SD 3.52Å; F51-M290 VanDerWaalsContact CB-SD 3.52Å; F51-M290 HydrophobicContact CD1-SD 3.74Å; F51-M290 HydrophobicContact CG-SD 3.72Å; F51-M450 HydrophobicContact CD1-CE 4.09Å; F51-M450 HydrophobicContact CD2-CE 3.69Å; F51-M450 HydrophobicContact CE1-CB 4.45Å; F51-M450 HydrophobicContact CE1-CE 3.81Å; F51-M450 HydrophobicContact CE2-CE 3.39Å; F51-M450 HydrophobicContact CG-CE 4.04Å; F51-M450 HydrophobicContact CZ-CB 3.93Å; F51-M450 HydrophobicContact CZ-CE 3.45Å; F51-M450 VanDerWaalsContact CZ-CE 3.45Å; F51-M450 HydrophobicContact CZ-CG 4.38Å; F51-D452 WeakPolarHBondContact CZ-OD1 3.18Å
52	F	98.5	Very high	96.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	166.7	172.4	65.6	-91.2	0	0	0	110.2	V36 W37 L41 I54 V75 M77 V101 Y103 I114 V116	V36-F52 HydrophobicContact CG1-CD2 3.51Å; V36-F52 HydrophobicContact CG1-CE2 3.72Å; W37-F52 WeakPolarHBondContact O-CB 3.47Å; L41-F52 HydrophobicContact CD1-CB 4.31Å; L41-F52 HydrophobicContact CD1-CG 4.49Å; L41-F52 HydrophobicContact CD2-CB 4.25Å; L41-F52 HydrophobicContact CD2-CD1 3.81Å; L41-F52 HydrophobicContact CD2-CD2 4.13Å; L41-F52 HydrophobicContact CD2-CE1 4.12Å; L41-F52 HydrophobicContact CD2-CE2 4.41Å; L41-F52 HydrophobicContact CD2-CG 3.81Å; L41-F52 HydrophobicContact CD2-CZ 4.4Å; L41-F52 HydrophobicContact CG-CB 3.87Å; L41-F52 HydrophobicContact CG-CD1 4.34Å; L41-F52 HydrophobicContact CG-CD2 4.47Å; L41-F52 HydrophobicContact CG-CG 4Å; F52-I54 HydrophobicContact CD2-CG1 4.41Å; F52-I54 HydrophobicContact CE2-CD1 4.29Å; F52-I54 HydrophobicContact CE2-CG1 4.07Å; F52-V75 HydrophobicContact CZ-CG1 4.17Å; F52-V75 HydrophobicContact CZ-CG2 4.38Å; F52-M77 HydrophobicContact CE1-CE 4.08Å; F52-V101 HydrophobicContact CD1-CB 4.02Å; F52-V101 HydrophobicContact CD1-CG1 4.24Å; F52-V101 HydrophobicContact CD2-CB 4.05Å; F52-V101 HydrophobicContact CD2-CG2 4.13Å; F52-V101 HydrophobicContact CE1-CB 3.65Å; F52-V101 HydrophobicContact CE1-CG1 3.48Å; F52-V101 VanDerWaalsContact CE1-CG1 3.48Å; F52-V101 HydrophobicContact CE1-CG2 4.35Å; F52-V101 HydrophobicContact CE2-CB 3.7Å; F52-V101 HydrophobicContact CE2-CG1 4.2Å; F52-V101 HydrophobicContact CE2-CG2 3.54Å; F52-V101 HydrophobicContact CG-CB 4.21Å; F52-V101 HydrophobicContact CZ-CB 3.49Å; F52-V101 VanDerWaalsContact CZ-CB 3.49Å; F52-V101 HydrophobicContact CZ-CG1 3.47Å; F52-V101 VanDerWaalsContact CZ-CG1 3.47Å; F52-V101 HydrophobicContact CZ-CG2 3.67Å; F52-V101 PolarHBondContact N-O 3.18Å; F52-V101 PolarHBondContact O-N 2.69Å; F52-Y103 HydrophobicContact CD1-CE1 4.28Å; F52-Y103 HydrophobicContact CE1-CD1 4.47Å; F52-Y103 HydrophobicContact CE1-CE1 4.35Å; F52-I114 HydrophobicContact CE1-CG2 4.05Å; F52-I114 HydrophobicContact CZ-CG2 3.93Å; F52-V116 HydrophobicContact CE2-CG2 3.96Å; F52-V116 HydrophobicContact CZ-CG2 4.05Å
53	Y	98.3	Very high	96.3	Very high	22 Å²	22	29.3 Å²	29.3	9%	0.086	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	149.1	-175	-57.8	-83	0	0	0	111	V36 W37 F51 F99 L100	V36-Y53 VanDerWaalsContact CA-O 3.26Å; V36-Y53 WeakPolarHBondContact CA-O 3.25Å; V36-Y53 VanDerWaalsContact CG1-O 3.31Å; V36-Y53 WeakPolarHBondContact CG1-O 3.45Å; W37-Y53 HydrophobicContact CZ2-CD2 4.45Å; W37-Y53 HydrophobicContact CZ2-CG 4.16Å; W37-Y53 PolarHBondContact N-O 2.71Å; W37-Y53 VanDerWaalsContact N-O 3.12Å; W37-Y53 AromaticContact NE1-CD2 3.75Å; W37-Y53 PolarHBondContact O-N 3.46Å; F51-Y53 HydrophobicContact CD2-CE2 4.09Å; F51-Y53 AromaticContact CE2-CE2 3.99Å; F51-Y53 HydrophobicContact CE2-CE2 3.99Å; Y53-F99 CarbonylContact C-O 3.5Å; Y53-F99 VanDerWaalsContact CA-O 3.28Å; Y53-F99 WeakPolarHBondContact CA-O 3.33Å; Y53-L100 HydrophobicContact CD1-CB 4.42Å; Y53-L100 HydrophobicContact CD1-CD1 3.95Å; Y53-L100 HydrophobicContact CE1-CB 4.44Å; Y53-L100 HydrophobicContact CE1-CD1 3.6Å; Y53-L100 HydrophobicContact CE1-CG 4.47Å
54	I	98.6	Very high	96.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.7	168.1	-53.7	164.5	0	0	0	107.3	T34 L35 V36 F52 F73 V75 S98 F99 V101 V116	T34-I54 HydrophobicContact CG2-CG2 3.55Å; L35-I54 CarbonylContact O-C 3.47Å; L35-I54 VanDerWaalsContact O-CA 3.32Å; L35-I54 WeakPolarHBondContact O-CA 3.48Å; V36-I54 HydrophobicContact CG1-CG1 4.15Å; V36-I54 HydrophobicContact CG2-CG1 4.33Å; V36-I54 HydrophobicContact CG2-CG2 4.37Å; F52-I54 HydrophobicContact CD2-CG1 4.41Å; F52-I54 HydrophobicContact CE2-CD1 4.29Å; F52-I54 HydrophobicContact CE2-CG1 4.07Å; I54-F73 HydrophobicContact CB-CD2 4.44Å; I54-F73 HydrophobicContact CB-CE2 4.47Å; I54-F73 HydrophobicContact CD1-CB 3.96Å; I54-F73 HydrophobicContact CD1-CD2 4.31Å; I54-F73 HydrophobicContact CD1-CG 4.06Å; I54-F73 HydrophobicContact CG2-CD1 4.14Å; I54-F73 HydrophobicContact CG2-CD2 3.84Å; I54-F73 HydrophobicContact CG2-CE1 3.91Å; I54-F73 HydrophobicContact CG2-CE2 3.57Å; I54-F73 HydrophobicContact CG2-CG 4.11Å; I54-F73 HydrophobicContact CG2-CZ 3.62Å; I54-V75 HydrophobicContact CD1-CG2 4.42Å; I54-S98 CarbonylContact O-C 3.49Å; I54-S98 VanDerWaalsContact O-CA 3.24Å; I54-S98 WeakPolarHBondContact O-CA 3.3Å; I54-F99 HydrophobicContact CB-CB 4.23Å; I54-F99 PolarHBondContact N-O 3.09Å; I54-F99 PolarHBondContact O-N 2.83Å; I54-V101 HydrophobicContact CD1-CG2 3.55Å; I54-V101 HydrophobicContact CG1-CG2 4.08Å; I54-V116 HydrophobicContact CD1-CG1 3.5Å; I54-V116 VanDerWaalsContact CD1-CG1 3.5Å; I54-V116 HydrophobicContact CG1-CG1 4.12Å
55	Q	98.1	Very high	96.3	Very high	22 Å²	22	31.8 Å²	31.8	10%	0.103	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.7	170.2	176.2	63.2	60	0	0	108.7	T34 L35 W37 V57 N63 L64 G97	T34-Q55 WeakPolarHBondContact CG2-O 3.44Å; L35-Q55 HydrophobicContact CB-CB 4.15Å; L35-Q55 PolarHBondContact N-O 2.92Å; L35-Q55 VanDerWaalsContact N-O 3.07Å; L35-Q55 PolarHBondContact O-N 2.91Å; W37-Q55 HydrophobicContact CH2-CB 3.78Å; W37-Q55 HydrophobicContact CZ3-CB 3.58Å; Q55-V57 HydrophobicContact CG-CG2 4.16Å; Q55-V57 PolarHBondContact O-N 3.5Å; Q55-N63 HydrophobicContact CG-CB 4.12Å; Q55-L64 PolarHBondContact NE2-O 3.01Å; Q55-G97 PolarHBondContact NE2-O 2.78Å
56	A	97.9	Very high	96.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.212	C	C	.	.			trans	-69.1	132.9	171.5	0	0	0	0	0	109.6	I29 L64 P68 F73 G97	I29-A56 HydrophobicContact CG2-CB 4.25Å; A56-L64 HydrophobicContact CB-CB 4.26Å; A56-L64 HydrophobicContact CB-CD1 4.36Å; A56-L64 HydrophobicContact CB-CD2 4.02Å; A56-L64 HydrophobicContact CB-CG 4.44Å; A56-L64 PolarHBondContact O-N 2.94Å; A56-P68 HydrophobicContact CB-CG 4.11Å; A56-F73 HydrophobicContact CB-CE2 4.11Å; A56-F73 HydrophobicContact CB-CZ 4.07Å; A56-G97 WeakPolarHBondContact CB-O 3.47Å; A56-G97 PolarHBondContact N-O 2.81Å
57	V	97.1	Very high	96.1	Very high	4 Å²	4	37 Å²	37	2%	0.024	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-129	135.5	-179.5	-177	0	0	0	0	108.6	S30 K33 L35 Q55 G61 K62 N63	S30-V57 PolarHBondContact N-O 2.77Å; K33-V57 HydrophobicContact CB-CB 4.11Å; K33-V57 HydrophobicContact CB-CG1 3.76Å; K33-V57 WeakPolarHBondContact O-CB 3.23Å; K33-V57 VanDerWaalsContact O-CG2 3.3Å; K33-V57 WeakPolarHBondContact O-CG2 3.47Å; L35-V57 HydrophobicContact CG-CG2 4.16Å; Q55-V57 HydrophobicContact CG-CG2 4.16Å; Q55-V57 PolarHBondContact O-N 3.5Å; V57-G61 VanDerWaalsContact CG1-C 3.4Å; V57-K62 WeakPolarHBondContact CA-O 3.27Å; V57-N63 WeakPolarHBondContact CG2-OD1 3.32Å
58	D	94.8	Very high	95.9	Very high	22 Å²	22	38.7 Å²	38.7	12%	0.118	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-76.2	174.2	178.8	69.8	21.1	0	0	0	112.9	S60 G61 K62 L64	D58-S60 VanDerWaalsContact CG-OG 3.27Å; D58-S60 PolarHBondContact O-N 3.03Å; D58-S60 VanDerWaalsContact OD1-CA 3.3Å; D58-S60 WeakPolarHBondContact OD1-CA 3.34Å; D58-S60 WeakPolarHBondContact OD1-CB 3.25Å; D58-S60 PolarHBondContact OD1-N 3.33Å; D58-S60 PolarHBondContact OD1-OG 2.93Å; D58-S60 PolarHBondContact OD2-OG 2.7Å; D58-G61 PolarHBondContact O-N 3.41Å; D58-G61 PolarHBondContact OD1-N 2.77Å; D58-K62 PolarHBondContact N-O 3.13Å; D58-K62 PolarHBondContact OD1-N 2.67Å; D58-L64 HydrophobicContact CB-CD1 3.98Å
59	S	92.4	Very high	95.8	Very high	80 Å²	80	40 Å²	40	56%	0.559	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-23.7	176.5	58.5	0	0	0	0	113.8	V28 K33	V28-S59 PolarHBondContact O-N 2.88Å; K33-S59 PolarHBondContact NZ-O 3.41Å
60	S	93.1	Very high	95.5	Very high	85 Å²	85	45.9 Å²	45.9	59%	0.594	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.4	175.5	81.8	0	0	0	0	112.8	K33 D58	K33-S60 VanDerWaalsContact NZ-C 3.33Å; K33-S60 PolarHBondContact NZ-O 2.95Å; D58-S60 VanDerWaalsContact CG-OG 3.27Å; D58-S60 PolarHBondContact O-N 3.03Å; D58-S60 VanDerWaalsContact OD1-CA 3.3Å; D58-S60 WeakPolarHBondContact OD1-CA 3.34Å; D58-S60 WeakPolarHBondContact OD1-CB 3.25Å; D58-S60 PolarHBondContact OD1-N 3.33Å; D58-S60 PolarHBondContact OD1-OG 2.93Å; D58-S60 PolarHBondContact OD2-OG 2.7Å
61	G	93.1	Very high	95.3	Very high	40 Å²	40	55.3 Å²	55.3	41%	0.412	32%	0.318	S	S	.	.	S	Bend	trans	97.5	14.9	-175.6	0	0	0	0	0	113.7	V57 D58	V57-G61 VanDerWaalsContact CG1-C 3.4Å; D58-G61 PolarHBondContact O-N 3.41Å; D58-G61 PolarHBondContact OD1-N 2.77Å
62	K	96.1	Very high	95.2	Very high	141 Å²	141	56 Å²	56	61%	0.613	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-92.7	134.9	176.5	-171.7	-179	177.8	-179	0	110.3	V57 D58 L64	V57-K62 WeakPolarHBondContact CA-O 3.27Å; D58-K62 PolarHBondContact N-O 3.13Å; D58-K62 PolarHBondContact OD1-N 2.67Å; K62-L64 PolarHBondContact O-N 3.17Å
63	N	97.4	Very high	95.2	Very high	77 Å²	77	56.4 Å²	56.4	41%	0.412	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-62.4	130.6	172.4	-70.3	-2.4	0	0	0	109.7	Q55 V57	Q55-N63 HydrophobicContact CG-CB 4.12Å; V57-N63 WeakPolarHBondContact CG2-OD1 3.32Å
64	L	96.3	Very high	95.2	Very high	18 Å²	18	59.6 Å²	59.6	9%	0.094	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-64.1	141.7	167.4	-84.2	66.9	0	0	0	108.8	I29 Q55 A56 D58 K62 P68 D96	I29-L64 HydrophobicContact CD1-CD2 4.49Å; I29-L64 HydrophobicContact CG1-CD2 4.21Å; Q55-L64 PolarHBondContact NE2-O 3.01Å; A56-L64 HydrophobicContact CB-CB 4.26Å; A56-L64 HydrophobicContact CB-CD1 4.36Å; A56-L64 HydrophobicContact CB-CD2 4.02Å; A56-L64 HydrophobicContact CB-CG 4.44Å; A56-L64 PolarHBondContact O-N 2.94Å; D58-L64 HydrophobicContact CB-CD1 3.98Å; K62-L64 PolarHBondContact O-N 3.17Å; L64-P68 HydrophobicContact CD2-CB 3.92Å; L64-P68 HydrophobicContact CD2-CG 4.14Å; L64-D96 VanDerWaalsContact O-O 3.1Å
65	T	93.3	Very high	95.2	Very high	121 Å²	121	60.4 Å²	60.4	74%	0.742	35%	0.345	S	S	*	.	S	Bend	trans	-112.2	9	177.6	59.8	0	0	0	0	112.2	D96	T65-D96 VanDerWaalsContact C-C 3.48Å; T65-D96 CarbonylContact C-O 3.5Å; T65-D96 VanDerWaalsContact C-O 3.28Å; T65-D96 VanDerWaalsContact CA-O 3.25Å; T65-D96 WeakPolarHBondContact CA-O 3.34Å
66	S	92.5	Very high	95.1	Very high	72 Å²	72	64 Å²	64	50%	0.503	36%	0.361	S	S	.	.	S	Bend	trans	-144.3	149.3	-179.8	58.3	0	0	0	0	109.5	P68 G97	S66-P68 WeakPolarHBondContact O-CD 3.47Å; S66-G97 WeakPolarHBondContact O-CA 3.5Å
67	S	93.7	Very high	95.1	Very high	48 Å²	48	64.3 Å²	64.3	34%	0.336	36%	0.362	S	S	.	.			trans	-50.2	127.3	175.5	170.8	0	0	0	0	112.2	G69 D93 R95	S67-G69 VanDerWaalsContact C-N 3.26Å; S67-G69 WeakPolarHBondContact OG-CA 3.45Å; S67-G69 PolarHBondContact OG-N 2.8Å; S67-D93 VanDerWaalsContact CB-OD2 3.25Å; S67-D93 WeakPolarHBondContact CB-OD2 3.47Å; S67-D93 PolarHBondContact OG-OD2 3.32Å; S67-R95 PolarHBondContact N-O 2.87Å
68	P	93.9	Very high	94.9	Very high	43 Å²	43	67.2 Å²	67.2	28%	0.279	38%	0.38	S	S	.	.	S	Bend	trans	-83.4	2.4	164.3	29.4	-27.5	0	0	0	114	I29 A56 L64 S66 T72 F99	I29-P68 HydrophobicContact CD1-CB 3.37Å; I29-P68 HydrophobicContact CD1-CG 3.9Å; I29-P68 HydrophobicContact CG1-CB 4.41Å; A56-P68 HydrophobicContact CB-CG 4.11Å; L64-P68 HydrophobicContact CD2-CB 3.92Å; L64-P68 HydrophobicContact CD2-CG 4.14Å; S66-P68 WeakPolarHBondContact O-CD 3.47Å; P68-T72 VanDerWaalsContact C-OG1 3.25Å; P68-T72 HydrophobicContact CB-CG2 4.24Å; P68-T72 HydrophobicContact CG-CG2 3.94Å; P68-T72 WeakPolarHBondContact CG-OG1 3.41Å; P68-T72 PolarHBondContact O-OG1 2.98Å; P68-T72 VanDerWaalsContact O-OG1 3.12Å; P68-F99 HydrophobicContact CG-CE2 3.72Å; P68-F99 HydrophobicContact CG-CZ 3.78Å
69	G	93.8	Very high	94.8	Very high	29 Å²	29	66.5 Å²	66.5	30%	0.299	38%	0.376	S	S	.	.			trans	115.7	143.6	-177.8	0	0	0	0	0	113.4	S67 K71 T72 F99	S67-G69 VanDerWaalsContact C-N 3.26Å; S67-G69 WeakPolarHBondContact OG-CA 3.45Å; S67-G69 PolarHBondContact OG-N 2.8Å; G69-K71 PolarHBondContact O-N 2.99Å; G69-K71 VanDerWaalsContact O-N 3.08Å; G69-T72 WeakPolarHBondContact O-CB 3.5Å; G69-T72 PolarHBondContact O-N 3.04Å; G69-T72 VanDerWaalsContact O-N 3.09Å; G69-T72 PolarHBondContact O-OG1 2.85Å; G69-F99 WeakPolarHBondContact O-CE1 3.47Å; G69-F99 WeakPolarHBondContact O-CZ 3.42Å
70	E	90.9	Very high	94.6	Very high	130 Å²	130	66 Å²	66	61%	0.607	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-26	-174.6	-63.9	-180	171.6	0	0	114	D93	E70-D93 HydrophobicContact CG-CB 4.1Å
71	K	93.8	Very high	94.2	Very high	202 Å²	202	65.9 Å²	65.9	88%	0.878	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	19.2	-178.9	-60.1	-176.1	-178.6	179	0	113.4	G69	G69-K71 PolarHBondContact O-N 2.99Å; G69-K71 VanDerWaalsContact O-N 3.08Å
72	T	96.3	Very high	93.6	Very high	20 Å²	20	68.7 Å²	68.7	12%	0.123	37%	0.37	C	S	.	.	S	Bend	trans	-62.7	-43.6	-179	-64.7	0	0	0	0	112.5	I29 P68 G69 L118	I29-T72 HydrophobicContact CD1-CG2 3.57Å; P68-T72 VanDerWaalsContact C-OG1 3.25Å; P68-T72 HydrophobicContact CB-CG2 4.24Å; P68-T72 HydrophobicContact CG-CG2 3.94Å; P68-T72 WeakPolarHBondContact CG-OG1 3.41Å; P68-T72 PolarHBondContact O-OG1 2.98Å; P68-T72 VanDerWaalsContact O-OG1 3.12Å; G69-T72 WeakPolarHBondContact O-CB 3.5Å; G69-T72 PolarHBondContact O-N 3.04Å; G69-T72 VanDerWaalsContact O-N 3.09Å; G69-T72 PolarHBondContact O-OG1 2.85Å; T72-L118 HydrophobicContact CG2-CD1 3.67Å; T72-L118 WeakPolarHBondContact O-CD1 3.43Å
73	F	97.8	Very high	92.7	Very high	8 Å²	8	70 Å²	70	4%	0.035	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.6	-178.6	-61.8	-73.3	0	0	0	111.3	I29 T34 I54 A56 F99 L117 L118 V123	I29-F73 HydrophobicContact CG2-CZ 4.47Å; T34-F73 HydrophobicContact CG2-CE1 3.81Å; T34-F73 HydrophobicContact CG2-CZ 3.82Å; I54-F73 HydrophobicContact CB-CD2 4.44Å; I54-F73 HydrophobicContact CB-CE2 4.47Å; I54-F73 HydrophobicContact CD1-CB 3.96Å; I54-F73 HydrophobicContact CD1-CD2 4.31Å; I54-F73 HydrophobicContact CD1-CG 4.06Å; I54-F73 HydrophobicContact CG2-CD1 4.14Å; I54-F73 HydrophobicContact CG2-CD2 3.84Å; I54-F73 HydrophobicContact CG2-CE1 3.91Å; I54-F73 HydrophobicContact CG2-CE2 3.57Å; I54-F73 HydrophobicContact CG2-CG 4.11Å; I54-F73 HydrophobicContact CG2-CZ 3.62Å; A56-F73 HydrophobicContact CB-CE2 4.11Å; A56-F73 HydrophobicContact CB-CZ 4.07Å; F73-F99 HydrophobicContact CD2-CD1 4.38Å; F73-F99 AromaticContact CD2-CD2 3.52Å; F73-F99 HydrophobicContact CD2-CD2 3.52Å; F73-F99 HydrophobicContact CD2-CE1 4.41Å; F73-F99 AromaticContact CD2-CE2 3.59Å; F73-F99 HydrophobicContact CD2-CE2 3.59Å; F73-F99 AromaticContact CD2-CG 3.96Å; F73-F99 HydrophobicContact CD2-CG 3.96Å; F73-F99 HydrophobicContact CD2-CZ 4.05Å; F73-F99 AromaticContact CE2-CD2 3.53Å; F73-F99 HydrophobicContact CE2-CD2 3.53Å; F73-F99 AromaticContact CE2-CE2 3.47Å; F73-F99 HydrophobicContact CE2-CE2 3.47Å; F73-F99 VanDerWaalsContact CE2-CE2 3.47Å; F73-F99 HydrophobicContact CE2-CG 4.4Å; F73-F99 HydrophobicContact CE2-CZ 4.26Å; F73-L117 WeakPolarHBondContact CA-O 3.4Å; F73-L118 HydrophobicContact CD1-CB 4.25Å; F73-L118 HydrophobicContact CD1-CD1 4.48Å; F73-L118 HydrophobicContact CE1-CB 4.15Å; F73-L118 HydrophobicContact CE1-CD1 4.22Å; F73-V123 HydrophobicContact CD1-CG1 4.27Å; F73-V123 HydrophobicContact CE1-CG1 4.03Å
74	E	97.9	Very high	91.9	Very high	89 Å²	89	73.5 Å²	73.5	42%	0.416	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.8	171.2	-176.5	-176.7	-156.1	0	0	108.9	K76 L117	E74-K76 HydrophobicContact CG-CG 4.49Å; E74-K76 WeakPolarHBondContact OE1-CE 3.37Å; E74-K76 IonicContact OE1-NZ 2.72Å; E74-K76 PolarHBondContact OE1-NZ 2.7Å; E74-K76 IonicContact OE2-NZ 2.69Å; E74-K76 PolarHBondContact OE2-NZ 2.75Å; E74-L117 HydrophobicContact CB-CB 4.33Å; E74-L117 PolarHBondContact N-O 2.93Å; E74-L117 PolarHBondContact O-N 2.98Å
75	V	98.1	Very high	91.5	Very high	17 Å²	17	74.9 Å²	74.9	10%	0.103	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.7	177.2	-179.8	0	0	0	0	109.9	F52 I54 M77 I89 V91 V101 I114 H115 V116	F52-V75 HydrophobicContact CZ-CG1 4.17Å; F52-V75 HydrophobicContact CZ-CG2 4.38Å; I54-V75 HydrophobicContact CD1-CG2 4.42Å; V75-M77 HydrophobicContact CG1-CE 4.09Å; V75-I89 HydrophobicContact CB-CG2 4.26Å; V75-I89 HydrophobicContact CG1-CG2 4.2Å; V75-V91 HydrophobicContact CB-CG2 4.05Å; V75-V91 HydrophobicContact CG2-CG2 3.69Å; V75-V101 HydrophobicContact CB-CG1 4.45Å; V75-V101 HydrophobicContact CG1-CG1 4.22Å; V75-V101 HydrophobicContact CG2-CG1 4.13Å; V75-V101 HydrophobicContact CG2-CG2 3.94Å; V75-I114 HydrophobicContact CG1-CG2 4.13Å; V75-H115 CarbonylContact C-O 3.53Å; V75-H115 VanDerWaalsContact CA-O 3.26Å; V75-H115 WeakPolarHBondContact CA-O 3.48Å; V75-V116 HydrophobicContact CG2-CG1 4.36Å; V75-V116 HydrophobicContact CG2-CG2 4.42Å
76	K	96.8	Very high	91.4	Very high	97 Å²	97	76.3 Å²	76.3	42%	0.422	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.7	175.7	-64.3	178.1	175.6	150.1	0	109.8	E74 H115	E74-K76 HydrophobicContact CG-CG 4.49Å; E74-K76 WeakPolarHBondContact OE1-CE 3.37Å; E74-K76 IonicContact OE1-NZ 2.72Å; E74-K76 PolarHBondContact OE1-NZ 2.7Å; E74-K76 IonicContact OE2-NZ 2.69Å; E74-K76 PolarHBondContact OE2-NZ 2.75Å; K76-H115 HydrophobicContact CB-CB 4.2Å; K76-H115 PolarHBondContact N-O 2.84Å; K76-H115 PolarHBondContact O-N 3.38Å
77	M	96.9	Very high	91.6	Very high	8 Å²	8	74 Å²	74	4%	0.039	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.3	177.9	-62.9	-178.1	-176.1	0	0	110.3	F52 V75 T85 I87 I89 Y103 L112 R113 I114	F52-M77 HydrophobicContact CE1-CE 4.08Å; V75-M77 HydrophobicContact CG1-CE 4.09Å; M77-T85 PolarHBondContact O-OG1 3.17Å; M77-I87 HydrophobicContact CB-CD1 3.88Å; M77-I87 HydrophobicContact SD-CD1 4.17Å; M77-I87 HydrophobicContact SD-CG2 3.85Å; M77-I89 HydrophobicContact CB-CD1 4.03Å; M77-I89 HydrophobicContact CE-CD1 4.35Å; M77-I89 HydrophobicContact CE-CG1 4.42Å; M77-I89 HydrophobicContact CG-CD1 3.7Å; M77-I89 HydrophobicContact SD-CD1 3.91Å; M77-I89 HydrophobicContact SD-CG1 4.15Å; M77-Y103 HydrophobicContact CE-CD1 3.34Å; M77-Y103 HydrophobicContact CE-CD2 3.94Å; M77-Y103 HydrophobicContact CE-CE1 3.63Å; M77-Y103 HydrophobicContact CE-CE2 4.18Å; M77-Y103 HydrophobicContact CE-CG 3.49Å; M77-Y103 VanDerWaalsContact CE-CG 3.49Å; M77-Y103 HydrophobicContact SD-CD1 4.24Å; M77-Y103 HydrophobicContact SD-CD2 3.71Å; M77-Y103 HydrophobicContact SD-CE1 4.47Å; M77-Y103 HydrophobicContact SD-CE2 3.95Å; M77-Y103 HydrophobicContact SD-CG 3.85Å; M77-L112 HydrophobicContact CB-CD1 4.34Å; M77-R113 VanDerWaalsContact CA-O 3.31Å; M77-R113 WeakPolarHBondContact CA-O 3.47Å; M77-I114 HydrophobicContact CE-CD1 4.17Å; M77-I114 HydrophobicContact CE-CG1 4.19Å; M77-I114 HydrophobicContact CE-CG2 3.93Å; M77-I114 HydrophobicContact CG-CB 4.49Å; M77-I114 HydrophobicContact CG-CG1 4.12Å; M77-I114 HydrophobicContact CG-CG2 4.29Å; M77-I114 HydrophobicContact SD-CG1 4.36Å
78	V	95	Very high	91.7	Very high	65 Å²	65	77 Å²	77	39%	0.394	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.8	-177.9	-61.1	0	0	0	0	110.2	R113	V78-R113 HydrophobicContact CG2-CB 3.99Å; V78-R113 PolarHBondContact N-O 3.04Å; V78-R113 PolarHBondContact O-N 3.35Å
79	S	92.3	Very high	91.9	Very high	6 Å²	6	77.2 Å²	77.2	4%	0.042	38%	0.375	C	S	.	.			trans	-113.6	123.3	173	-178.5	0	0	0	0	107.7	T81 E82 T110	S79-T81 PolarHBondContact O-N 3.14Å; S79-T81 VanDerWaalsContact O-N 3.16Å; S79-T81 PolarHBondContact OG-OG1 3.13Å; S79-E82 PolarHBondContact O-N 3.17Å; S79-E82 VanDerWaalsContact O-O 3.08Å; S79-T110 PolarHBondContact OG-O 2.87Å
80	P	88.3	Confident	92.1	Very high	71 Å²	71	78.3 Å²	78.3	46%	0.461	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.1	-177.6	-23.1	33.8	0	0	0	113.7	D111 R113	P80-D111 VanDerWaalsContact CD-O 3.3Å; P80-D111 WeakPolarHBondContact CD-O 3.31Å; P80-R113 HydrophobicContact CG-CG 4.47Å
81	T	83.4	Confident	92.4	Very high	82 Å²	82	74.1 Å²	74.1	50%	0.503	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-11.6	-177	61.4	0	0	0	0	113.5	S79	S79-T81 PolarHBondContact O-N 3.14Å; S79-T81 VanDerWaalsContact O-N 3.16Å; S79-T81 PolarHBondContact OG-OG1 3.13Å
82	E	81.4	Confident	92.6	Very high	98 Å²	98	65.6 Å²	65.6	46%	0.458	32%	0.319	S	S	.	.			trans	-120.5	137.9	-173.3	-62.2	-61.9	154.2	0	0	111	S79 F84 Y109	S79-E82 PolarHBondContact O-N 3.17Å; S79-E82 VanDerWaalsContact O-O 3.08Å; E82-F84 VanDerWaalsContact C-N 3.31Å; E82-F84 PolarHBondContact O-N 3.43Å; E82-Y109 HydrophobicContact CG-CD1 3.94Å; E82-Y109 HydrophobicContact CG-CE1 4.25Å
83	Q	76.5	Confident	92.6	Very high	170 Å²	170	65.2 Å²	65.2	79%	0.794	32%	0.316	S	S	*	.	S	Bend	trans	-69.4	-30.7	176.3	-167.9	-179.6	3.5	0	0	112.3
84	F	81.3	Confident	92.5	Very high	149 Å²	149	66.2 Å²	66.2	65%	0.654	32%	0.32	S	S	*	.			trans	-139.5	131.4	-177.4	-58.1	-76.4	0	0	0	111.9	E82	E82-F84 VanDerWaalsContact C-N 3.31Å; E82-F84 PolarHBondContact O-N 3.43Å
85	T	88.1	Confident	92.3	Very high	47 Å²	47	67.2 Å²	67.2	29%	0.288	32%	0.32	S	S	.	.			trans	-98	114.7	171.7	46.9	0	0	0	0	110.4	M77 I87 Y109	M77-T85 PolarHBondContact O-OG1 3.17Å; T85-I87 VanDerWaalsContact C-N 3.3Å; T85-I87 HydrophobicContact CG2-CD1 4.45Å; T85-I87 PolarHBondContact O-N 3.35Å; T85-I87 VanDerWaalsContact O-N 3.16Å; T85-Y109 HydrophobicContact CG2-CD1 4.3Å; T85-Y109 HydrophobicContact CG2-CE1 4.01Å
86	R	91.3	Very high	92	Very high	152 Å²	152	68.7 Å²	68.7	57%	0.574	33%	0.327	S	S	*	.			trans	-86.7	73.5	171.6	-66.7	-178	-175.2	-170.3	1.6	109.1	Y106 Y109	R86-Y106 WeakPolarHBondContact O-CD2 3.46Å; R86-Y106 PolarHBondContact O-N 3.33Å; R86-Y109 PolarHBondContact N-OH 3.26Å
87	I	95.3	Very high	91.9	Very high	24 Å²	24	64 Å²	64	12%	0.123	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.4	178.8	-55.6	177	0	0	0	108.3	M77 T85 I89 Y103 R104 M105 Y109 L112	M77-I87 HydrophobicContact CB-CD1 3.88Å; M77-I87 HydrophobicContact SD-CD1 4.17Å; M77-I87 HydrophobicContact SD-CG2 3.85Å; T85-I87 VanDerWaalsContact C-N 3.3Å; T85-I87 HydrophobicContact CG2-CD1 4.45Å; T85-I87 PolarHBondContact O-N 3.35Å; T85-I87 VanDerWaalsContact O-N 3.16Å; I87-I89 HydrophobicContact CG2-CD1 4.4Å; I87-I89 HydrophobicContact CG2-CG1 3.81Å; I87-Y103 HydrophobicContact CG2-CD2 3.7Å; I87-Y103 HydrophobicContact CG2-CG 4.26Å; I87-R104 WeakPolarHBondContact CA-O 3.44Å; I87-M105 HydrophobicContact CD1-CG 4.27Å; I87-M105 HydrophobicContact CG1-CG 4.14Å; I87-M105 HydrophobicContact CG2-CG 4.38Å; I87-Y109 HydrophobicContact CD1-CD2 3.93Å; I87-Y109 HydrophobicContact CD1-CE2 3.61Å; I87-Y109 HydrophobicContact CG1-CD2 4.35Å; I87-Y109 HydrophobicContact CG1-CE2 3.54Å; I87-L112 HydrophobicContact CD1-CD1 3.74Å; I87-L112 HydrophobicContact CD1-CD2 4.12Å
88	W	96.6	Very high	91.9	Very high	111 Å²	111	63.8 Å²	63.8	42%	0.42	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.5	171.9	-177.5	30.1	0	0	0	109.3	Q90 Y103 R104 Y106 M282	W88-Q90 HydrophobicContact CZ2-CG 4.46Å; W88-Q90 VanDerWaalsContact CZ2-NE2 3.32Å; W88-Y103 CarbonylContact O-C 3.2Å; W88-Y103 WeakPolarHBondContact O-CA 3.4Å; W88-Y103 WeakPolarHBondContact O-CB 3.01Å; W88-R104 PolarHBondContact N-O 2.99Å; W88-R104 PolarHBondContact O-N 3.42Å; W88-Y106 HydrophobicContact CB-CE2 3.99Å; W88-M282 HydrophobicContact CB-CE 4.4Å; W88-M282 HydrophobicContact CD2-CE 3.7Å; W88-M282 HydrophobicContact CE3-CB 3.77Å; W88-M282 HydrophobicContact CE3-CE 3.83Å; W88-M282 HydrophobicContact CG-CE 3.98Å; W88-M282 HydrophobicContact CZ3-CB 3.7Å; W88-M282 HydrophobicContact CZ3-CE 4.43Å; W88-M282 WeakPolarHBondContact CZ3-O 3.47Å; W88-M282 WeakPolarHBondContact O-CE 3.12Å
89	I	97.8	Very high	92.1	Very high	46 Å²	46	60.7 Å²	60.7	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139	-174.9	-54.3	168.5	0	0	0	109.2	V75 M77 I87 V101	V75-I89 HydrophobicContact CB-CG2 4.26Å; V75-I89 HydrophobicContact CG1-CG2 4.2Å; M77-I89 HydrophobicContact CB-CD1 4.03Å; M77-I89 HydrophobicContact CE-CD1 4.35Å; M77-I89 HydrophobicContact CE-CG1 4.42Å; M77-I89 HydrophobicContact CG-CD1 3.7Å; M77-I89 HydrophobicContact SD-CD1 3.91Å; M77-I89 HydrophobicContact SD-CG1 4.15Å; I87-I89 HydrophobicContact CG2-CD1 4.4Å; I87-I89 HydrophobicContact CG2-CG1 3.81Å; I89-V101 HydrophobicContact CG2-CG1 4.17Å
90	Q	97.8	Very high	92.4	Very high	53 Å²	53	60.4 Å²	60.4	25%	0.248	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.1	167.8	-67.2	-177.7	-35.2	0	0	109.8	W88 L92 V101 R102 M282	W88-Q90 HydrophobicContact CZ2-CG 4.46Å; W88-Q90 VanDerWaalsContact CZ2-NE2 3.32Å; Q90-L92 HydrophobicContact CB-CD2 4.09Å; Q90-L92 HydrophobicContact CB-CG 4.47Å; Q90-V101 WeakPolarHBondContact O-CA 3.38Å; Q90-R102 HydrophobicContact CB-CG 4.07Å; Q90-R102 PolarHBondContact N-O 3.09Å; Q90-R102 PolarHBondContact O-N 3.03Å; Q90-M282 HydrophobicContact CB-CE 4.41Å; Q90-M282 HydrophobicContact CG-CE 4.02Å
91	V	98.2	Very high	92.9	Very high	41 Å²	41	57 Å²	57	25%	0.248	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	111.8	171.1	-177.3	0	0	0	0	106.7	V75 F99 V101	V75-V91 HydrophobicContact CB-CG2 4.05Å; V75-V91 HydrophobicContact CG2-CG2 3.69Å; V91-F99 HydrophobicContact CG1-CB 4.33Å; V91-F99 HydrophobicContact CG1-CD1 3.92Å; V91-F99 HydrophobicContact CG1-CG 4.49Å; V91-V101 HydrophobicContact CG1-CG2 4.31Å; V91-V101 HydrophobicContact CG2-CG1 4.44Å; V91-V101 HydrophobicContact CG2-CG2 4.27Å
92	L	97.4	Very high	93.6	Very high	24 Å²	24	54 Å²	54	13%	0.126	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119	-174	-55.6	-178.3	0	0	0	109.9	Q90 R94 F99 L100 R102 A294	Q90-L92 HydrophobicContact CB-CD2 4.09Å; Q90-L92 HydrophobicContact CB-CG 4.47Å; L92-R94 PolarHBondContact O-N 2.9Å; L92-F99 CarbonylContact O-C 3.58Å; L92-F99 VanDerWaalsContact O-CA 3.23Å; L92-F99 WeakPolarHBondContact O-CA 3.28Å; L92-L100 HydrophobicContact CB-CB 4.35Å; L92-L100 VanDerWaalsContact CB-O 3.27Å; L92-L100 WeakPolarHBondContact CB-O 3.31Å; L92-L100 PolarHBondContact N-O 2.69Å; L92-L100 PolarHBondContact O-N 3.17Å; L92-R102 HydrophobicContact CD1-CG 4.18Å; L92-A294 HydrophobicContact CB-CB 3.59Å; L92-A294 HydrophobicContact CD1-CB 4.39Å; L92-A294 HydrophobicContact CG-CB 4.41Å
93	D	96.6	Very high	94.4	Very high	11 Å²	11	49.4 Å²	49.4	6%	0.059	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.2	174.3	-175.1	-9.3	0	0	0	110.3	S67 E70 R95 F99 A294	S67-D93 VanDerWaalsContact CB-OD2 3.25Å; S67-D93 WeakPolarHBondContact CB-OD2 3.47Å; S67-D93 PolarHBondContact OG-OD2 3.32Å; E70-D93 HydrophobicContact CG-CB 4.1Å; D93-R95 PolarHBondContact O-N 2.98Å; D93-R95 WeakPolarHBondContact OD1-CA 3.34Å; D93-R95 PolarHBondContact OD1-N 3.12Å; D93-F99 HydrophobicContact CB-CD1 3.95Å; D93-F99 HydrophobicContact CB-CE1 3.72Å; D93-A294 WeakPolarHBondContact O-CA 3.24Å; D93-A294 VanDerWaalsContact O-CB 3.28Å; D93-A294 WeakPolarHBondContact O-CB 3.34Å
94	R	95.4	Very high	95.3	Very high	29 Å²	29	43.1 Å²	43.1	11%	0.109	19%	0.19	C	C	.	.			trans	-84.5	0.9	-179.8	-67.9	173.9	39.9	-171.2	-19	113.3	L92 D96 S98 L100 Q293	L92-R94 PolarHBondContact O-N 2.9Å; R94-D96 WeakPolarHBondContact CB-OD1 3.31Å; R94-D96 IonicContact CZ-OD2 3.52Å; R94-D96 IonicContact NE-OD1 3.42Å; R94-D96 IonicContact NE-OD2 3.68Å; R94-D96 PolarHBondContact NE-OD2 3.31Å; R94-D96 IonicContact NH2-OD2 2.94Å; R94-D96 PolarHBondContact NH2-OD2 3.47Å; R94-D96 PolarHBondContact O-N 2.89Å; R94-S98 WeakPolarHBondContact CB-O 3.47Å; R94-S98 WeakPolarHBondContact CD-OG 3.29Å; R94-S98 PolarHBondContact N-O 2.81Å; R94-S98 PolarHBondContact NE-OG 3.15Å; R94-S98 VanDerWaalsContact NE-OG 3.16Å; R94-S98 PolarHBondContact NH2-OG 3.4Å; R94-L100 HydrophobicContact CG-CB 4.3Å; R94-Q293 HydrophobicContact CG-CB 4.28Å
95	R	93.3	Very high	95.9	Very high	111 Å²	111	36.5 Å²	36.5	42%	0.419	16%	0.161	S	C	.	.	S	Bend	trans	64.5	2.9	179.1	-54.8	-179.5	176.2	-161.6	-9.7	115.7	S67 D93 G297	S67-R95 PolarHBondContact N-O 2.87Å; D93-R95 PolarHBondContact O-N 2.98Å; D93-R95 WeakPolarHBondContact OD1-CA 3.34Å; D93-R95 PolarHBondContact OD1-N 3.12Å; R95-G297 PolarHBondContact NH1-O 3.35Å
96	D	92.9	Very high	96.1	Very high	47 Å²	47	38.2 Å²	38.2	25%	0.251	16%	0.163	S	C	.	.	S	Bend	trans	-106.2	13.2	179.7	63	9.5	0	0	0	112.7	L64 T65 R94 S98 R446	L64-D96 VanDerWaalsContact O-O 3.1Å; T65-D96 VanDerWaalsContact C-C 3.48Å; T65-D96 CarbonylContact C-O 3.5Å; T65-D96 VanDerWaalsContact C-O 3.28Å; T65-D96 VanDerWaalsContact CA-O 3.25Å; T65-D96 WeakPolarHBondContact CA-O 3.34Å; R94-D96 WeakPolarHBondContact CB-OD1 3.31Å; R94-D96 IonicContact CZ-OD2 3.52Å; R94-D96 IonicContact NE-OD1 3.42Å; R94-D96 IonicContact NE-OD2 3.68Å; R94-D96 PolarHBondContact NE-OD2 3.31Å; R94-D96 IonicContact NH2-OD2 2.94Å; R94-D96 PolarHBondContact NH2-OD2 3.47Å; R94-D96 PolarHBondContact O-N 2.89Å; D96-S98 VanDerWaalsContact C-N 3.29Å; D96-S98 WeakPolarHBondContact OD1-CB 3.14Å; D96-S98 PolarHBondContact OD1-N 2.83Å; D96-S98 PolarHBondContact OD1-OG 2.94Å; D96-R446 IonicContact OD2-NH1 2.75Å
97	G	95.1	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	85.5	-1	-175.2	0	0	0	0	0	114.1	Q55 A56 S66	Q55-G97 PolarHBondContact NE2-O 2.78Å; A56-G97 WeakPolarHBondContact CB-O 3.47Å; A56-G97 PolarHBondContact N-O 2.81Å; S66-G97 WeakPolarHBondContact O-CA 3.5Å
98	S	97	Very high	96.1	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	160	170.4	78.3	0	0	0	0	112.4	I54 R94 D96	I54-S98 CarbonylContact O-C 3.49Å; I54-S98 VanDerWaalsContact O-CA 3.24Å; I54-S98 WeakPolarHBondContact O-CA 3.3Å; R94-S98 WeakPolarHBondContact CB-O 3.47Å; R94-S98 WeakPolarHBondContact CD-OG 3.29Å; R94-S98 PolarHBondContact N-O 2.81Å; R94-S98 PolarHBondContact NE-OG 3.15Å; R94-S98 VanDerWaalsContact NE-OG 3.16Å; R94-S98 PolarHBondContact NH2-OG 3.4Å; D96-S98 VanDerWaalsContact C-N 3.29Å; D96-S98 WeakPolarHBondContact OD1-CB 3.14Å; D96-S98 PolarHBondContact OD1-N 2.83Å; D96-S98 PolarHBondContact OD1-OG 2.94Å
99	F	98.3	Very high	95.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145	177.4	-62.3	-105.9	0	0	0	109.2	Y53 I54 P68 G69 F73 V91 L92 D93	Y53-F99 CarbonylContact C-O 3.5Å; Y53-F99 VanDerWaalsContact CA-O 3.28Å; Y53-F99 WeakPolarHBondContact CA-O 3.33Å; I54-F99 HydrophobicContact CB-CB 4.23Å; I54-F99 PolarHBondContact N-O 3.09Å; I54-F99 PolarHBondContact O-N 2.83Å; P68-F99 HydrophobicContact CG-CE2 3.72Å; P68-F99 HydrophobicContact CG-CZ 3.78Å; G69-F99 WeakPolarHBondContact O-CE1 3.47Å; G69-F99 WeakPolarHBondContact O-CZ 3.42Å; F73-F99 HydrophobicContact CD2-CD1 4.38Å; F73-F99 AromaticContact CD2-CD2 3.52Å; F73-F99 HydrophobicContact CD2-CD2 3.52Å; F73-F99 HydrophobicContact CD2-CE1 4.41Å; F73-F99 AromaticContact CD2-CE2 3.59Å; F73-F99 HydrophobicContact CD2-CE2 3.59Å; F73-F99 AromaticContact CD2-CG 3.96Å; F73-F99 HydrophobicContact CD2-CG 3.96Å; F73-F99 HydrophobicContact CD2-CZ 4.05Å; F73-F99 AromaticContact CE2-CD2 3.53Å; F73-F99 HydrophobicContact CE2-CD2 3.53Å; F73-F99 AromaticContact CE2-CE2 3.47Å; F73-F99 HydrophobicContact CE2-CE2 3.47Å; F73-F99 VanDerWaalsContact CE2-CE2 3.47Å; F73-F99 HydrophobicContact CE2-CG 4.4Å; F73-F99 HydrophobicContact CE2-CZ 4.26Å; V91-F99 HydrophobicContact CG1-CB 4.33Å; V91-F99 HydrophobicContact CG1-CD1 3.92Å; V91-F99 HydrophobicContact CG1-CG 4.49Å; L92-F99 CarbonylContact O-C 3.58Å; L92-F99 VanDerWaalsContact O-CA 3.23Å; L92-F99 WeakPolarHBondContact O-CA 3.28Å; D93-F99 HydrophobicContact CB-CD1 3.95Å; D93-F99 HydrophobicContact CB-CE1 3.72Å
100	L	98.1	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	110.7	170.5	173.2	59.3	0	0	0	108.1	F51 Y53 L92 R94 M290 Q293	F51-L100 HydrophobicContact CB-CD1 3.89Å; F51-L100 HydrophobicContact CD2-CD1 4.01Å; F51-L100 HydrophobicContact CG-CD1 4.32Å; Y53-L100 HydrophobicContact CD1-CB 4.42Å; Y53-L100 HydrophobicContact CD1-CD1 3.95Å; Y53-L100 HydrophobicContact CE1-CB 4.44Å; Y53-L100 HydrophobicContact CE1-CD1 3.6Å; Y53-L100 HydrophobicContact CE1-CG 4.47Å; L92-L100 HydrophobicContact CB-CB 4.35Å; L92-L100 VanDerWaalsContact CB-O 3.27Å; L92-L100 WeakPolarHBondContact CB-O 3.31Å; L92-L100 PolarHBondContact N-O 2.69Å; L92-L100 PolarHBondContact O-N 3.17Å; R94-L100 HydrophobicContact CG-CB 4.3Å; L100-M290 HydrophobicContact CD2-CB 3.59Å; L100-M290 HydrophobicContact CD2-CG 3.85Å; L100-Q293 HydrophobicContact CD2-CB 4.37Å
101	V	98.6	Very high	95.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.2	170.6	-173.7	0	0	0	0	107.5	F51 F52 I54 V75 I89 Q90 V91	F51-V101 CarbonylContact C-O 3.58Å; F51-V101 WeakPolarHBondContact CA-O 3.49Å; F51-V101 WeakPolarHBondContact CB-O 3.29Å; F52-V101 HydrophobicContact CD1-CB 4.02Å; F52-V101 HydrophobicContact CD1-CG1 4.24Å; F52-V101 HydrophobicContact CD2-CB 4.05Å; F52-V101 HydrophobicContact CD2-CG2 4.13Å; F52-V101 HydrophobicContact CE1-CB 3.65Å; F52-V101 HydrophobicContact CE1-CG1 3.48Å; F52-V101 VanDerWaalsContact CE1-CG1 3.48Å; F52-V101 HydrophobicContact CE1-CG2 4.35Å; F52-V101 HydrophobicContact CE2-CB 3.7Å; F52-V101 HydrophobicContact CE2-CG1 4.2Å; F52-V101 HydrophobicContact CE2-CG2 3.54Å; F52-V101 HydrophobicContact CG-CB 4.21Å; F52-V101 HydrophobicContact CZ-CB 3.49Å; F52-V101 VanDerWaalsContact CZ-CB 3.49Å; F52-V101 HydrophobicContact CZ-CG1 3.47Å; F52-V101 VanDerWaalsContact CZ-CG1 3.47Å; F52-V101 HydrophobicContact CZ-CG2 3.67Å; F52-V101 PolarHBondContact N-O 3.18Å; F52-V101 PolarHBondContact O-N 2.69Å; I54-V101 HydrophobicContact CD1-CG2 3.55Å; I54-V101 HydrophobicContact CG1-CG2 4.08Å; V75-V101 HydrophobicContact CB-CG1 4.45Å; V75-V101 HydrophobicContact CG1-CG1 4.22Å; V75-V101 HydrophobicContact CG2-CG1 4.13Å; V75-V101 HydrophobicContact CG2-CG2 3.94Å; I89-V101 HydrophobicContact CG2-CG1 4.17Å; Q90-V101 WeakPolarHBondContact O-CA 3.38Å; V91-V101 HydrophobicContact CG1-CG2 4.31Å; V91-V101 HydrophobicContact CG2-CG1 4.44Å; V91-V101 HydrophobicContact CG2-CG2 4.27Å
102	R	98	Very high	95.4	Very high	20 Å²	20	24.4 Å²	24.4	8%	0.075	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.5	171.9	62.3	174	-170.1	-178.6	2.9	110.4	R50 F51 Q90 L92 M282 D288 M290	R50-R102 CarbonylContact O-C 3.57Å; R50-R102 VanDerWaalsContact O-CA 3.28Å; R50-R102 WeakPolarHBondContact O-CA 3.41Å; F51-R102 HydrophobicContact CB-CB 4.26Å; Q90-R102 HydrophobicContact CB-CG 4.07Å; Q90-R102 PolarHBondContact N-O 3.09Å; Q90-R102 PolarHBondContact O-N 3.03Å; L92-R102 HydrophobicContact CD1-CG 4.18Å; R102-M282 HydrophobicContact CB-SD 3.8Å; R102-M282 HydrophobicContact CG-CE 4.27Å; R102-M282 HydrophobicContact CG-CG 4.29Å; R102-M282 HydrophobicContact CG-SD 3.49Å; R102-M282 WeakPolarHBondContact CG-SD 3.48Å; R102-D288 IonicContact CZ-OD2 3.68Å; R102-D288 IonicContact NH1-OD1 2.76Å; R102-D288 PolarHBondContact NH1-OD1 2.94Å; R102-D288 IonicContact NH1-OD2 3.04Å; R102-D288 PolarHBondContact NH1-OD2 3.45Å; R102-M290 HydrophobicContact CB-CE 4.37Å; R102-M290 HydrophobicContact CB-SD 3.83Å
103	Y	98	Very high	95.4	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147	179.3	68.4	-83	0	0	0	112.8	G40 A49 R50 F52 M77 I87 W88 M105	G40-Y103 PolarHBondContact O-OH 3.36Å; A49-Y103 WeakPolarHBondContact CA-O 3.14Å; R50-Y103 HydrophobicContact CB-CD1 4.01Å; R50-Y103 HydrophobicContact CB-CD2 4.31Å; R50-Y103 HydrophobicContact CB-CE1 3.48Å; R50-Y103 VanDerWaalsContact CB-CE1 3.48Å; R50-Y103 HydrophobicContact CB-CE2 3.84Å; R50-Y103 HydrophobicContact CB-CG 4.4Å; R50-Y103 WeakPolarHBondContact CD-OH 3.21Å; R50-Y103 HydrophobicContact CG-CE2 4.3Å; R50-Y103 PolarHBondContact N-O 2.89Å; R50-Y103 PolarHBondContact O-N 3.37Å; F52-Y103 HydrophobicContact CD1-CE1 4.28Å; F52-Y103 HydrophobicContact CE1-CD1 4.47Å; F52-Y103 HydrophobicContact CE1-CE1 4.35Å; M77-Y103 HydrophobicContact CE-CD1 3.34Å; M77-Y103 HydrophobicContact CE-CD2 3.94Å; M77-Y103 HydrophobicContact CE-CE1 3.63Å; M77-Y103 HydrophobicContact CE-CE2 4.18Å; M77-Y103 HydrophobicContact CE-CG 3.49Å; M77-Y103 VanDerWaalsContact CE-CG 3.49Å; M77-Y103 HydrophobicContact SD-CD1 4.24Å; M77-Y103 HydrophobicContact SD-CD2 3.71Å; M77-Y103 HydrophobicContact SD-CE1 4.47Å; M77-Y103 HydrophobicContact SD-CE2 3.95Å; M77-Y103 HydrophobicContact SD-CG 3.85Å; I87-Y103 HydrophobicContact CG2-CD2 3.7Å; I87-Y103 HydrophobicContact CG2-CG 4.26Å; W88-Y103 CarbonylContact O-C 3.2Å; W88-Y103 WeakPolarHBondContact O-CA 3.4Å; W88-Y103 WeakPolarHBondContact O-CB 3.01Å; Y103-M105 HydrophobicContact CD2-CG 4.02Å; Y103-M105 HydrophobicContact CE2-CG 3.91Å; Y103-M105 HydrophobicContact CE2-SD 3.87Å
104	R	96.5	Very high	95.5	Very high	37 Å²	37	27.7 Å²	27.7	14%	0.14	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.7	175.5	-174.6	166	-171.1	109.7	1.6	109.6	P48 I87 W88 Y106 L279 S281 M282	P48-R104 WeakPolarHBondContact O-CG 3.29Å; P48-R104 PolarHBondContact O-NH1 3.23Å; I87-R104 WeakPolarHBondContact CA-O 3.44Å; W88-R104 PolarHBondContact N-O 2.99Å; W88-R104 PolarHBondContact O-N 3.42Å; R104-Y106 HydrophobicContact CG-CE1 4.27Å; R104-Y106 HydrophobicContact CG-CE2 4.36Å; R104-L279 PolarHBondContact NH1-O 3.2Å; R104-S281 PolarHBondContact NH1-O 3.28Å; R104-M282 HydrophobicContact CB-CB 4.14Å; R104-M282 HydrophobicContact CB-SD 4.43Å; R104-M282 VanDerWaalsContact CD-O 3.32Å; R104-M282 WeakPolarHBondContact CD-O 3.48Å
105	M	94.8	Very high	95.6	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.049	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134.5	176	-68.2	171.2	49.7	0	0	109.5	I87 Y103 A107 Y109 L112 V134 H136	I87-M105 HydrophobicContact CD1-CG 4.27Å; I87-M105 HydrophobicContact CG1-CG 4.14Å; I87-M105 HydrophobicContact CG2-CG 4.38Å; Y103-M105 HydrophobicContact CD2-CG 4.02Å; Y103-M105 HydrophobicContact CE2-CG 3.91Å; Y103-M105 HydrophobicContact CE2-SD 3.87Å; M105-A107 VanDerWaalsContact CE-O 3.27Å; M105-A107 WeakPolarHBondContact CE-O 3.35Å; M105-Y109 HydrophobicContact CE-CD2 3.52Å; M105-Y109 HydrophobicContact CE-CE2 4.04Å; M105-Y109 HydrophobicContact CG-CE2 4.47Å; M105-L112 HydrophobicContact SD-CD2 4.25Å; M105-V134 HydrophobicContact CE-CB 4.17Å; M105-V134 HydrophobicContact CE-CG1 3.74Å; M105-V134 WeakPolarHBondContact CE-O 3.47Å; M105-V134 HydrophobicContact SD-CG1 3.82Å; M105-H136 HydrophobicContact CB-CB 3.85Å; M105-H136 HydrophobicContact CE-CB 4.39Å
106	Y	92	Very high	95.8	Very high	84 Å²	84	23 Å²	23	33%	0.329	11%	0.108	S	C	.	.	S	Bend	trans	-106.8	2.3	174.2	-60.9	-81	0	0	0	112.7	R86 W88 R104 F490	R86-Y106 WeakPolarHBondContact O-CD2 3.46Å; R86-Y106 PolarHBondContact O-N 3.33Å; W88-Y106 HydrophobicContact CB-CE2 3.99Å; R104-Y106 HydrophobicContact CG-CE1 4.27Å; R104-Y106 HydrophobicContact CG-CE2 4.36Å; Y106-F490 WeakPolarHBondContact O-CB 3.32Å; Y106-F490 VanDerWaalsContact O-CD1 3.29Å; Y106-F490 WeakPolarHBondContact O-CD1 3.47Å; Y106-F490 VanDerWaalsContact O-CD2 3.28Å; Y106-F490 WeakPolarHBondContact O-CD2 3.3Å; Y106-F490 WeakPolarHBondContact O-CG 3.43Å
107	A	92.4	Very high	96.1	Very high	20 Å²	20	21.5 Å²	21.5	17%	0.165	10%	0.1	C	C	.	.	S	Bend	trans	-150.7	161.2	172.7	0	0	0	0	0	109.9	M105 Y109 F490	M105-A107 VanDerWaalsContact CE-O 3.27Å; M105-A107 WeakPolarHBondContact CE-O 3.35Å; A107-Y109 HydrophobicContact CB-CE1 4.45Å; A107-Y109 WeakPolarHBondContact O-CD2 3.24Å; A107-Y109 WeakPolarHBondContact O-CE2 3.46Å; A107-F490 HydrophobicContact CB-CD1 4.17Å
108	T	93	Very high	96.2	Very high	23 Å²	23	22.2 Å²	22.2	14%	0.141	10%	0.104	C	C	.	.			trans	-81.2	138	174.1	-65.6	0	0	0	0	109.9	V134 Y135 H136 C492	T108-V134 WeakPolarHBondContact CA-O 3.27Å; T108-Y135 HydrophobicContact CG2-CD1 3.63Å; T108-Y135 HydrophobicContact CG2-CE1 4.01Å; T108-Y135 HydrophobicContact CG2-CG 4.49Å; T108-H136 PolarHBondContact N-ND1 3.05Å; T108-H136 PolarHBondContact OG1-ND1 2.83Å; T108-C492 PolarHBondContact OG1-SG 2.78Å
109	Y	93.2	Very high	95.9	Very high	5 Å²	5	31.6 Å²	31.6	2%	0.02	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	161.9	179.7	-62.1	-67.1	0	0	0	111.7	E82 T85 R86 I87 M105 A107 L112 R133 V134	E82-Y109 HydrophobicContact CG-CD1 3.94Å; E82-Y109 HydrophobicContact CG-CE1 4.25Å; T85-Y109 HydrophobicContact CG2-CD1 4.3Å; T85-Y109 HydrophobicContact CG2-CE1 4.01Å; R86-Y109 PolarHBondContact N-OH 3.26Å; I87-Y109 HydrophobicContact CD1-CD2 3.93Å; I87-Y109 HydrophobicContact CD1-CE2 3.61Å; I87-Y109 HydrophobicContact CG1-CD2 4.35Å; I87-Y109 HydrophobicContact CG1-CE2 3.54Å; M105-Y109 HydrophobicContact CE-CD2 3.52Å; M105-Y109 HydrophobicContact CE-CE2 4.04Å; M105-Y109 HydrophobicContact CG-CE2 4.47Å; A107-Y109 HydrophobicContact CB-CE1 4.45Å; A107-Y109 WeakPolarHBondContact O-CD2 3.24Å; A107-Y109 WeakPolarHBondContact O-CE2 3.46Å; Y109-L112 HydrophobicContact CD2-CD1 4.14Å; Y109-L112 HydrophobicContact CG-CD1 4.21Å; Y109-R133 WeakPolarHBondContact O-CA 3.32Å; Y109-V134 PolarHBondContact N-O 3.29Å; Y109-V134 VanDerWaalsContact N-O 3.14Å; Y109-V134 PolarHBondContact O-N 2.9Å
110	T	92.6	Very high	95.6	Very high	28 Å²	28	35.5 Å²	35.5	17%	0.172	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.1	171.3	-55.9	0	0	0	0	109.2	S79 L112 G132 R133	S79-T110 PolarHBondContact OG-O 2.87Å; T110-L112 VanDerWaalsContact C-N 3.33Å; T110-L112 PolarHBondContact O-N 3.42Å; T110-G132 WeakPolarHBondContact CA-O 3.37Å; T110-R133 WeakPolarHBondContact OG1-CD 3.29Å; T110-R133 PolarHBondContact OG1-NH1 2.98Å
111	D	93.5	Very high	95.6	Very high	61 Å²	61	41.3 Å²	41.3	33%	0.326	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.7	46.3	177.6	-58.7	-37.8	0	0	0	113.2	P80 R113 L130 Q131 G132	P80-D111 VanDerWaalsContact CD-O 3.3Å; P80-D111 WeakPolarHBondContact CD-O 3.31Å; D111-R113 WeakPolarHBondContact O-CG 3.43Å; D111-R113 PolarHBondContact O-N 2.96Å; D111-L130 CarbonylContact C-O 3.57Å; D111-L130 VanDerWaalsContact CA-O 3.24Å; D111-L130 WeakPolarHBondContact CA-O 3.45Å; D111-Q131 WeakPolarHBondContact OD1-CA 3.35Å; D111-G132 PolarHBondContact N-O 3.32Å; D111-G132 PolarHBondContact OD1-N 2.93Å
112	L	96.3	Very high	95.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	125.6	-177.8	-176.1	68.5	0	0	0	110.4	M77 I87 M105 Y109 T110 L130 V134	M77-L112 HydrophobicContact CB-CD1 4.34Å; I87-L112 HydrophobicContact CD1-CD1 3.74Å; I87-L112 HydrophobicContact CD1-CD2 4.12Å; M105-L112 HydrophobicContact SD-CD2 4.25Å; Y109-L112 HydrophobicContact CD2-CD1 4.14Å; Y109-L112 HydrophobicContact CG-CD1 4.21Å; T110-L112 VanDerWaalsContact C-N 3.33Å; T110-L112 PolarHBondContact O-N 3.42Å; L112-L130 HydrophobicContact CB-CB 4.35Å; L112-L130 HydrophobicContact CD2-CD2 4.49Å; L112-L130 PolarHBondContact N-O 2.98Å; L112-L130 PolarHBondContact O-N 3.1Å; L112-V134 HydrophobicContact CB-CG2 3.97Å; L112-V134 HydrophobicContact CD2-CG1 4.35Å
113	R	97.4	Very high	95.4	Very high	104 Å²	104	43.8 Å²	43.8	39%	0.392	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.2	180	-54.5	-173.6	-178.7	171.7	1.7	110.6	M77 V78 P80 D111 Y128 I129	M77-R113 VanDerWaalsContact CA-O 3.31Å; M77-R113 WeakPolarHBondContact CA-O 3.47Å; V78-R113 HydrophobicContact CG2-CB 3.99Å; V78-R113 PolarHBondContact N-O 3.04Å; V78-R113 PolarHBondContact O-N 3.35Å; P80-R113 HydrophobicContact CG-CG 4.47Å; D111-R113 WeakPolarHBondContact O-CG 3.43Å; D111-R113 PolarHBondContact O-N 2.96Å; R113-Y128 CarbonylContact C-O 3.16Å; R113-Y128 WeakPolarHBondContact CA-O 3.36Å; R113-I129 HydrophobicContact CG-CG1 4.39Å
114	I	98.2	Very high	95.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	106.2	177.5	-52.3	175.6	0	0	0	108.9	G40 L41 F52 V75 M77 V116 S126 P127 Y128 L130	G40-I114 WeakPolarHBondContact O-CD1 3.49Å; L41-I114 HydrophobicContact CD2-CD1 3.91Å; F52-I114 HydrophobicContact CE1-CG2 4.05Å; F52-I114 HydrophobicContact CZ-CG2 3.93Å; V75-I114 HydrophobicContact CG1-CG2 4.13Å; M77-I114 HydrophobicContact CE-CD1 4.17Å; M77-I114 HydrophobicContact CE-CG1 4.19Å; M77-I114 HydrophobicContact CE-CG2 3.93Å; M77-I114 HydrophobicContact CG-CB 4.49Å; M77-I114 HydrophobicContact CG-CG1 4.12Å; M77-I114 HydrophobicContact CG-CG2 4.29Å; M77-I114 HydrophobicContact SD-CG1 4.36Å; I114-V116 HydrophobicContact CG2-CG2 4.19Å; I114-S126 PolarHBondContact O-OG 2.89Å; I114-P127 WeakPolarHBondContact O-CA 3.38Å; I114-Y128 PolarHBondContact N-O 3.37Å; I114-Y128 PolarHBondContact O-N 3.23Å; I114-L130 HydrophobicContact CD1-CD1 3.71Å; I114-L130 HydrophobicContact CD1-CD2 4.18Å; I114-L130 HydrophobicContact CG1-CD1 4.2Å
115	H	98.1	Very high	95.2	Very high	40 Å²	40	52.4 Å²	52.4	19%	0.185	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.4	174.5	-60.5	-109.9	0	0	0	108.5	V75 K76 L117 H122 S126	V75-H115 CarbonylContact C-O 3.53Å; V75-H115 VanDerWaalsContact CA-O 3.26Å; V75-H115 WeakPolarHBondContact CA-O 3.48Å; K76-H115 HydrophobicContact CB-CB 4.2Å; K76-H115 PolarHBondContact N-O 2.84Å; K76-H115 PolarHBondContact O-N 3.38Å; H115-L117 HydrophobicContact CB-CG 4.5Å; H115-H122 AromaticContact CG-CE1 3.84Å; H115-H122 AromaticContact ND1-CE1 3.16Å; H115-H122 PolarHBondContact ND1-CE1 3.33Å; H115-H122 AromaticContact ND1-NE2 3.52Å; H115-S126 WeakPolarHBondContact CA-OG 3.38Å
116	V	98.4	Very high	95.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.2	175	-173	0	0	0	0	106.2	F52 I54 V75 I114 V123 S126 Y128	F52-V116 HydrophobicContact CE2-CG2 3.96Å; F52-V116 HydrophobicContact CZ-CG2 4.05Å; I54-V116 HydrophobicContact CD1-CG1 3.5Å; I54-V116 VanDerWaalsContact CD1-CG1 3.5Å; I54-V116 HydrophobicContact CG1-CG1 4.12Å; V75-V116 HydrophobicContact CG2-CG1 4.36Å; V75-V116 HydrophobicContact CG2-CG2 4.42Å; I114-V116 HydrophobicContact CG2-CG2 4.19Å; V116-V123 HydrophobicContact CB-CG2 3.77Å; V116-V123 HydrophobicContact CG1-CG2 3.43Å; V116-V123 VanDerWaalsContact CG1-CG2 3.43Å; V116-V123 PolarHBondContact O-N 3.43Å; V116-S126 PolarHBondContact N-OG 3.11Å; V116-S126 PolarHBondContact O-OG 3.37Å; V116-Y128 HydrophobicContact CG2-CD2 4.35Å; V116-Y128 HydrophobicContact CG2-CE2 4.27Å
117	L	98.1	Very high	95.5	Very high	17 Å²	17	50.9 Å²	50.9	9%	0.089	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.4	-167	-54.6	173.8	0	0	0	110.7	F73 E74 H115 Q121	F73-L117 WeakPolarHBondContact CA-O 3.4Å; E74-L117 HydrophobicContact CB-CB 4.33Å; E74-L117 PolarHBondContact N-O 2.93Å; E74-L117 PolarHBondContact O-N 2.98Å; H115-L117 HydrophobicContact CB-CG 4.5Å; L117-Q121 CarbonylContact C-O 3.5Å; L117-Q121 VanDerWaalsContact CA-O 3.24Å; L117-Q121 WeakPolarHBondContact CA-O 3.4Å
118	L	96.9	Very high	95.8	Very high	15 Å²	15	51.4 Å²	51.4	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.1	164.8	175.5	67.4	0	0	0	107.1	I29 A31 T72 F73 A120 Q121 V123	I29-L118 HydrophobicContact CB-CD2 3.95Å; I29-L118 HydrophobicContact CG2-CD1 4.48Å; I29-L118 HydrophobicContact CG2-CD2 3.69Å; A31-L118 HydrophobicContact CB-CB 4.41Å; A31-L118 HydrophobicContact CB-CD2 4.08Å; T72-L118 HydrophobicContact CG2-CD1 3.67Å; T72-L118 WeakPolarHBondContact O-CD1 3.43Å; F73-L118 HydrophobicContact CD1-CB 4.25Å; F73-L118 HydrophobicContact CD1-CD1 4.48Å; F73-L118 HydrophobicContact CE1-CB 4.15Å; F73-L118 HydrophobicContact CE1-CD1 4.22Å; L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 3.28Å; L118-Q121 PolarHBondContact N-O 3.01Å; L118-Q121 WeakPolarHBondContact O-CB 3.01Å; L118-Q121 PolarHBondContact O-N 2.74Å; L118-V123 HydrophobicContact CB-CG1 3.53Å
119	K	92.2	Very high	96	Very high	198 Å²	198	54.6 Å²	54.6	86%	0.861	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	50.8	-177	-59.5	-179.7	177.8	179.8	0	112.9	Q121	K119-Q121 PolarHBondContact O-N 2.64Å; K119-Q121 VanDerWaalsContact O-N 3.14Å
120	A	92.3	Very high	96.1	Very high	83 Å²	83	54.5 Å²	54.5	69%	0.686	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	0.8	-175.5	0	0	0	0	0	116.7	L118	L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 3.28Å
121	Q	96.2	Very high	96.1	Very high	122 Å²	122	60.6 Å²	60.6	57%	0.57	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	134.9	173	-172.6	179.9	7.9	0	0	110.9	A31 L117 L118 K119	A31-Q121 HydrophobicContact CB-CB 4.48Å; A31-Q121 HydrophobicContact CB-CG 4.08Å; L117-Q121 CarbonylContact C-O 3.5Å; L117-Q121 VanDerWaalsContact CA-O 3.24Å; L117-Q121 WeakPolarHBondContact CA-O 3.4Å; L118-Q121 PolarHBondContact N-O 3.01Å; L118-Q121 WeakPolarHBondContact O-CB 3.01Å; L118-Q121 PolarHBondContact O-N 2.74Å; K119-Q121 PolarHBondContact O-N 2.64Å; K119-Q121 VanDerWaalsContact O-N 3.14Å
122	H	97.6	Very high	96	Very high	72 Å²	72	59.2 Å²	59.2	33%	0.333	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	136.8	172.4	-81.8	-79.4	0	0	0	112.5	H115 S126	H115-H122 AromaticContact CG-CE1 3.84Å; H115-H122 AromaticContact ND1-CE1 3.16Å; H115-H122 PolarHBondContact ND1-CE1 3.33Å; H115-H122 AromaticContact ND1-NE2 3.52Å; H122-S126 WeakPolarHBondContact CB-O 3.35Å; H122-S126 VanDerWaalsContact ND1-C 3.27Å; H122-S126 VanDerWaalsContact ND1-CB 3.33Å; H122-S126 WeakPolarHBondContact ND1-CB 3.44Å; H122-S126 PolarHBondContact ND1-O 2.82Å; H122-S126 PolarHBondContact ND1-OG 3.06Å
123	V	96.4	Very high	95.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-102.4	149.3	175.3	-49.7	0	0	0	0	111.5	A31 T34 V36 F73 V116 L118 K125 S126	A31-V123 HydrophobicContact CB-CG1 4.04Å; A31-V123 VanDerWaalsContact O-CA 3.26Å; A31-V123 WeakPolarHBondContact O-CA 3.31Å; A31-V123 WeakPolarHBondContact O-CB 3.43Å; T34-V123 HydrophobicContact CG2-CB 3.96Å; T34-V123 HydrophobicContact CG2-CG1 4.43Å; T34-V123 HydrophobicContact CG2-CG2 3.99Å; V36-V123 HydrophobicContact CG2-CG2 3.79Å; F73-V123 HydrophobicContact CD1-CG1 4.27Å; F73-V123 HydrophobicContact CE1-CG1 4.03Å; V116-V123 HydrophobicContact CB-CG2 3.77Å; V116-V123 HydrophobicContact CG1-CG2 3.43Å; V116-V123 VanDerWaalsContact CG1-CG2 3.43Å; V116-V123 PolarHBondContact O-N 3.43Å; L118-V123 HydrophobicContact CB-CG1 3.53Å; V123-K125 PolarHBondContact O-N 3.37Å; V123-S126 WeakPolarHBondContact O-CB 3.07Å; V123-S126 PolarHBondContact O-N 3.41Å
124	A	94.9	Very high	95.7	Very high	43 Å²	43	58.8 Å²	58.8	36%	0.355	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	-125.4	-180	0	0	0	0	0	112.3	A31 T34 V36 S126 Y128	A31-A124 PolarHBondContact O-N 3.1Å; T34-A124 WeakPolarHBondContact O-CB 3.37Å; V36-A124 HydrophobicContact CG2-CB 3.99Å; A124-S126 VanDerWaalsContact C-N 3.34Å; A124-Y128 VanDerWaalsContact CB-OH 3.25Å; A124-Y128 WeakPolarHBondContact CB-OH 3.36Å
125	K	95.3	Very high	95.5	Very high	176 Å²	176	59.2 Å²	59.2	77%	0.765	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	11.3	178.9	-60.1	-179	-179.6	179.2	0	113.5	V123 P127 Y128	V123-K125 PolarHBondContact O-N 3.37Å; K125-P127 CarbonylContact O-C 3.54Å; K125-Y128 HydrophobicContact CB-CE1 3.96Å; K125-Y128 PolarHBondContact N-OH 3.04Å
126	S	96.5	Very high	95.3	Very high	12 Å²	12	57.7 Å²	57.7	8%	0.084	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-62.4	141	-178.3	-171	0	0	0	0	111.1	I114 H115 V116 H122 V123 A124	I114-S126 PolarHBondContact O-OG 2.89Å; H115-S126 WeakPolarHBondContact CA-OG 3.38Å; V116-S126 PolarHBondContact N-OG 3.11Å; V116-S126 PolarHBondContact O-OG 3.37Å; H122-S126 WeakPolarHBondContact CB-O 3.35Å; H122-S126 VanDerWaalsContact ND1-C 3.27Å; H122-S126 VanDerWaalsContact ND1-CB 3.33Å; H122-S126 WeakPolarHBondContact ND1-CB 3.44Å; H122-S126 PolarHBondContact ND1-O 2.82Å; H122-S126 PolarHBondContact ND1-OG 3.06Å; V123-S126 WeakPolarHBondContact O-CB 3.07Å; V123-S126 PolarHBondContact O-N 3.41Å; A124-S126 VanDerWaalsContact C-N 3.34Å
127	P	97	Very high	95.1	Very high	49 Å²	49	58.5 Å²	58.5	32%	0.318	30%	0.301	S	S	.	.	S	Bend	cis	-72.4	138.3	1.8	30.4	-34.1	0	0	0	113.5	I114 K125	I114-P127 WeakPolarHBondContact O-CA 3.38Å; K125-P127 CarbonylContact O-C 3.54Å
128	Y	97.8	Very high	94.8	Very high	32 Å²	32	59.3 Å²	59.3	13%	0.125	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.7	169.3	-61.9	-91.3	0	0	0	108.4	V36 L41 R113 I114 V116 A124 K125	V36-Y128 HydrophobicContact CB-CE2 4.08Å; V36-Y128 WeakPolarHBondContact CB-OH 3.26Å; V36-Y128 HydrophobicContact CG1-CE2 4.04Å; V36-Y128 HydrophobicContact CG2-CE2 4.32Å; L41-Y128 HydrophobicContact CD1-CD1 3.97Å; L41-Y128 HydrophobicContact CD1-CE1 4.01Å; L41-Y128 HydrophobicContact CD1-CG 4.33Å; L41-Y128 HydrophobicContact CD2-CD1 4.39Å; L41-Y128 HydrophobicContact CD2-CD2 4.16Å; L41-Y128 HydrophobicContact CD2-CG 3.97Å; R113-Y128 CarbonylContact C-O 3.16Å; R113-Y128 WeakPolarHBondContact CA-O 3.36Å; I114-Y128 PolarHBondContact N-O 3.37Å; I114-Y128 PolarHBondContact O-N 3.23Å; V116-Y128 HydrophobicContact CG2-CD2 4.35Å; V116-Y128 HydrophobicContact CG2-CE2 4.27Å; A124-Y128 VanDerWaalsContact CB-OH 3.25Å; A124-Y128 WeakPolarHBondContact CB-OH 3.36Å; K125-Y128 HydrophobicContact CB-CE1 3.96Å; K125-Y128 PolarHBondContact N-OH 3.04Å
129	I	96.9	Very high	94.7	Very high	89 Å²	89	58.9 Å²	58.9	46%	0.456	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.8	-177.3	-56	170.9	0	0	0	108	R113 Q131	R113-I129 HydrophobicContact CG-CG1 4.39Å; I129-Q131 HydrophobicContact CG2-CG 4.08Å; I129-Q131 PolarHBondContact O-N 3.43Å
130	L	96.1	Very high	94.7	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	91.1	173.8	-79.1	60.1	0	0	0	107.1	L41 A43 D111 L112 I114 V134	L41-L130 VanDerWaalsContact O-CD1 3.3Å; L41-L130 WeakPolarHBondContact O-CD1 3.27Å; A43-L130 HydrophobicContact CB-CB 4.02Å; A43-L130 HydrophobicContact CB-CG 4.44Å; D111-L130 CarbonylContact C-O 3.57Å; D111-L130 VanDerWaalsContact CA-O 3.24Å; D111-L130 WeakPolarHBondContact CA-O 3.45Å; L112-L130 HydrophobicContact CB-CB 4.35Å; L112-L130 HydrophobicContact CD2-CD2 4.49Å; L112-L130 PolarHBondContact N-O 2.98Å; L112-L130 PolarHBondContact O-N 3.1Å; I114-L130 HydrophobicContact CD1-CD1 3.71Å; I114-L130 HydrophobicContact CD1-CD2 4.18Å; I114-L130 HydrophobicContact CG1-CD1 4.2Å; L130-V134 HydrophobicContact CB-CG2 3.68Å; L130-V134 HydrophobicContact CD2-CG1 4.15Å; L130-V134 HydrophobicContact CD2-CG2 4.26Å
131	Q	92.4	Very high	94.8	Very high	155 Å²	155	49.7 Å²	49.7	72%	0.724	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	142.9	-175.2	-67.3	-178.7	-20.2	0	0	111.9	D111 I129	D111-Q131 WeakPolarHBondContact OD1-CA 3.35Å; I129-Q131 HydrophobicContact CG2-CG 4.08Å; I129-Q131 PolarHBondContact O-N 3.43Å
132	G	91.1	Very high	94.8	Very high	33 Å²	33	45 Å²	45	34%	0.34	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.1	-157.1	178.5	0	0	0	0	0	113.3	T110 D111	T110-G132 WeakPolarHBondContact CA-O 3.37Å; D111-G132 PolarHBondContact N-O 3.32Å; D111-G132 PolarHBondContact OD1-N 2.93Å
133	R	92.1	Very high	94.7	Very high	94 Å²	94	43 Å²	43	36%	0.355	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	126.1	-178.2	-68.1	-58.3	-166.7	170.5	6.9	111.8	Y109 T110 Y135 D495	Y109-R133 WeakPolarHBondContact O-CA 3.32Å; T110-R133 WeakPolarHBondContact OG1-CD 3.29Å; T110-R133 PolarHBondContact OG1-NH1 2.98Å; R133-Y135 HydrophobicContact CB-CE1 3.98Å; R133-Y135 HydrophobicContact CB-CE2 3.95Å; R133-Y135 HydrophobicContact CG-CE1 4.4Å; R133-D495 WeakPolarHBondContact CG-OD2 2.82Å; R133-D495 IonicContact CZ-OD2 3.99Å; R133-D495 IonicContact NE-OD2 2.74Å; R133-D495 PolarHBondContact NE-OD2 2.85Å; R133-D495 IonicContact NH2-OD2 3.47Å
134	V	94.6	Very high	94.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	97.1	173.3	-170.9	0	0	0	0	108.1	A43 M105 T108 Y109 L112 L130	A43-V134 HydrophobicContact CB-CG2 4.14Å; M105-V134 HydrophobicContact CE-CB 4.17Å; M105-V134 HydrophobicContact CE-CG1 3.74Å; M105-V134 WeakPolarHBondContact CE-O 3.47Å; M105-V134 HydrophobicContact SD-CG1 3.82Å; T108-V134 WeakPolarHBondContact CA-O 3.27Å; Y109-V134 PolarHBondContact N-O 3.29Å; Y109-V134 VanDerWaalsContact N-O 3.14Å; Y109-V134 PolarHBondContact O-N 2.9Å; L112-V134 HydrophobicContact CB-CG2 3.97Å; L112-V134 HydrophobicContact CD2-CG1 4.35Å; L130-V134 HydrophobicContact CB-CG2 3.68Å; L130-V134 HydrophobicContact CD2-CG1 4.15Å; L130-V134 HydrophobicContact CD2-CG2 4.26Å
135	Y	94.8	Very high	94.8	Very high	10 Å²	10	46.6 Å²	46.6	4%	0.039	25%	0.252	C	S	.	.			trans	-73.7	138.3	-176.4	-61.6	-66.1	0	0	0	112.3	R50 T108 R133 C139 C141 D495	R50-Y135 PolarHBondContact NH2-O 3Å; T108-Y135 HydrophobicContact CG2-CD1 3.63Å; T108-Y135 HydrophobicContact CG2-CE1 4.01Å; T108-Y135 HydrophobicContact CG2-CG 4.49Å; R133-Y135 HydrophobicContact CB-CE1 3.98Å; R133-Y135 HydrophobicContact CB-CE2 3.95Å; R133-Y135 HydrophobicContact CG-CE1 4.4Å; Y135-C139 HydrophobicContact CD1-CB 4.22Å; Y135-C139 WeakPolarHBondContact CD1-SG 3.5Å; Y135-C141 HydrophobicContact CD1-CB 4.25Å; Y135-C141 HydrophobicContact CE1-CB 4.13Å; Y135-C141 HydrophobicContact CE2-CB 4.46Å; Y135-C141 HydrophobicContact CG-CB 4.48Å; Y135-D495 WeakPolarHBondContact OH-CB 3.47Å; Y135-D495 PolarHBondContact OH-N 2.89Å
136	H	94.1	Very high	94.8	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.037	22%	0.221	C	C	.	.			trans	-85.5	165.6	169.3	74.7	-74.8	0	0	0	111.3	M105 T108 G138 C139	M105-H136 HydrophobicContact CB-CB 3.85Å; M105-H136 HydrophobicContact CE-CB 4.39Å; T108-H136 PolarHBondContact N-ND1 3.05Å; T108-H136 PolarHBondContact OG1-ND1 2.83Å; H136-G138 VanDerWaalsContact C-N 3.29Å; H136-G138 PolarHBondContact CD2-N 3.07Å; H136-G138 VanDerWaalsContact CD2-N 3.34Å; H136-G138 PolarHBondContact O-N 2.62Å; H136-C139 VanDerWaalsContact O-CB 3.32Å; H136-C139 WeakPolarHBondContact O-CB 3.4Å; H136-C139 PolarHBondContact O-N 2.87Å
137	E	93.1	Very high	94.9	Very high	17 Å²	17	42 Å²	42	8%	0.079	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.2	-174	174.3	53.5	-146.2	0	0	115.4	P48 C139 S222 R225 K226	P48-E137 HydrophobicContact CB-CG 4.1Å; P48-E137 VanDerWaalsContact CD-OE2 3.31Å; P48-E137 WeakPolarHBondContact CD-OE2 3.34Å; P48-E137 HydrophobicContact CG-CG 4.26Å; P48-E137 WeakPolarHBondContact CG-OE2 3.35Å; E137-C139 VanDerWaalsContact C-N 3.31Å; E137-S222 PolarHBondContact OE1-OG 3.22Å; E137-R225 PolarHBondContact O-NE 3.18Å; E137-R225 IonicContact OE1-CZ 3.81Å; E137-R225 IonicContact OE1-NH2 2.74Å; E137-R225 PolarHBondContact OE1-NH2 3.13Å; E137-K226 IonicContact OE1-NZ 2.65Å; E137-K226 PolarHBondContact OE1-NZ 2.97Å; E137-K226 WeakPolarHBondContact OE2-CE 3.41Å; E137-K226 IonicContact OE2-NZ 2.7Å; E137-K226 PolarHBondContact OE2-NZ 2.04Å
138	G	92.8	Very high	94.9	Very high	33 Å²	33	42.3 Å²	42.3	34%	0.34	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13	-179.4	0	0	0	0	0	113.8	H136 D140	H136-G138 VanDerWaalsContact C-N 3.29Å; H136-G138 PolarHBondContact CD2-N 3.07Å; H136-G138 VanDerWaalsContact CD2-N 3.34Å; H136-G138 PolarHBondContact O-N 2.62Å; G138-D140 PolarHBondContact O-N 3.03Å
139	C	93.6	Very high	94.9	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.041	24%	0.24	C	C	.	.			trans	-71.6	118.2	-179	-175.2	0	0	0	0	111.2	Y135 H136 E137 C141 C492	Y135-C139 HydrophobicContact CD1-CB 4.22Å; Y135-C139 WeakPolarHBondContact CD1-SG 3.5Å; H136-C139 VanDerWaalsContact O-CB 3.32Å; H136-C139 WeakPolarHBondContact O-CB 3.4Å; H136-C139 PolarHBondContact O-N 2.87Å; E137-C139 VanDerWaalsContact C-N 3.31Å; C139-C141 PolarHBondContact O-N 3.08Å; C139-C141 VanDerWaalsContact O-N 3.08Å; C139-C141 VanDerWaalsContact SG-CB 3.58Å; C139-C492 HydrophobicContact CB-CB 3.55Å; C139-C492 WeakPolarHBondContact CB-SG 3.31Å; C139-C492 WeakPolarHBondContact SG-CB 3.16Å; C139-C492 CovalentContact SG-SG 2.02Å; C139-C492 PolarHBondContact SG-SG 3.25Å
140	D	93.1	Very high	94.9	Very high	85 Å²	85	38.4 Å²	38.4	46%	0.455	23%	0.226	S	C	.	.			trans	-78.3	86	169.3	-166.7	4.3	0	0	0	109.9	G138 R225	G138-D140 PolarHBondContact O-N 3.03Å; D140-R225 HydrophobicContact CB-CG 4.12Å
141	C	94.3	Very high	95	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.02	26%	0.26	C	S	.	.			trans	-143.1	67.5	179.3	-165.8	0	0	0	0	111.7	Y135 C139 Q143 R225 C494 R496	Y135-C141 HydrophobicContact CD1-CB 4.25Å; Y135-C141 HydrophobicContact CE1-CB 4.13Å; Y135-C141 HydrophobicContact CE2-CB 4.46Å; Y135-C141 HydrophobicContact CG-CB 4.48Å; C139-C141 PolarHBondContact O-N 3.08Å; C139-C141 VanDerWaalsContact O-N 3.08Å; C139-C141 VanDerWaalsContact SG-CB 3.58Å; C141-Q143 PolarHBondContact O-N 2.72Å; C141-R225 CarbonylContact C-O 3.45Å; C141-R225 PolarHBondContact N-O 3.48Å; C141-R225 VanDerWaalsContact N-O 3.08Å; C141-C494 WeakPolarHBondContact CA-SG 3.49Å; C141-C494 HydrophobicContact CB-CB 3.54Å; C141-C494 WeakPolarHBondContact CB-SG 3.29Å; C141-C494 WeakPolarHBondContact SG-CA 3.5Å; C141-C494 WeakPolarHBondContact SG-CB 3Å; C141-C494 CovalentContact SG-SG 2.04Å; C141-C494 PolarHBondContact SG-SG 3.31Å; C141-R496 PolarHBondContact O-NH1 3.32Å; C141-R496 VanDerWaalsContact O-NH1 3.09Å
142	P	96.1	Very high	95.2	Very high	25 Å²	25	41 Å²	41	16%	0.162	24%	0.236	C	C	.	.			trans	-63.3	139.4	-174.4	22.4	-31.5	0	0	0	111.6	P144 T224 R225	P142-P144 VanDerWaalsContact O-CD 3.23Å; P142-P144 WeakPolarHBondContact O-CD 3.47Å; P142-T224 WeakPolarHBondContact CB-O 3.24Å; P142-R225 WeakPolarHBondContact CA-O 3.12Å; P142-R225 VanDerWaalsContact N-O 3.11Å
143	Q	96.5	Very high	95.4	Very high	29 Å²	29	39.5 Å²	39.5	14%	0.136	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-64.9	118.7	164.7	175.1	53.5	-106.5	0	0	109	C141 S145 V148 W149 K226 R228	C141-Q143 PolarHBondContact O-N 2.72Å; Q143-S145 VanDerWaalsContact C-N 3.29Å; Q143-S145 VanDerWaalsContact CG-O 3.31Å; Q143-S145 WeakPolarHBondContact CG-O 3.34Å; Q143-S145 PolarHBondContact O-N 3.22Å; Q143-V148 HydrophobicContact CG-CB 4.3Å; Q143-V148 HydrophobicContact CG-CG1 4.29Å; Q143-W149 HydrophobicContact CB-CB 4.06Å; Q143-W149 HydrophobicContact CB-CG 4.48Å; Q143-W149 HydrophobicContact CG-CB 3.8Å; Q143-K226 PolarHBondContact N-O 3.47Å; Q143-R228 PolarHBondContact O-N 3.02Å
144	P	95.7	Very high	95.7	Very high	74 Å²	74	42 Å²	42	48%	0.481	23%	0.23	S	C	.	.	S	Bend	trans	-63.7	-33.1	-177.6	-26.8	36.5	0	0	0	113.8	P142	P142-P144 VanDerWaalsContact O-CD 3.23Å; P142-P144 WeakPolarHBondContact O-CD 3.47Å
145	S	96.6	Very high	95.8	Very high	44 Å²	44	43 Å²	43	31%	0.308	24%	0.237	S	C	.	.			trans	-98.9	114.2	179.9	178.5	0	0	0	0	112	Q143 S147 V148 W149	Q143-S145 VanDerWaalsContact C-N 3.29Å; Q143-S145 VanDerWaalsContact CG-O 3.31Å; Q143-S145 WeakPolarHBondContact CG-O 3.34Å; Q143-S145 PolarHBondContact O-N 3.22Å; S145-S147 VanDerWaalsContact C-N 3.34Å; S145-S147 PolarHBondContact O-N 2.83Å; S145-S147 PolarHBondContact OG-OG 2.81Å; S145-S147 VanDerWaalsContact OG-OG 3.13Å; S145-V148 PolarHBondContact O-N 2.84Å; S145-W149 PolarHBondContact O-N 2.8Å
146	G	96.6	Very high	95.8	Very high	12 Å²	12	44.6 Å²	44.6	12%	0.124	25%	0.248	C	C	.	.	H	α-helix	trans	-51.7	-47.7	173.7	0	0	0	0	0	114.4	V148 W149 E150 Y459	G146-V148 VanDerWaalsContact C-N 3.31Å; G146-V148 PolarHBondContact O-N 3.11Å; G146-W149 WeakPolarHBondContact O-CB 3.4Å; G146-W149 PolarHBondContact O-N 2.97Å; G146-W149 VanDerWaalsContact O-N 3.11Å; G146-E150 WeakPolarHBondContact O-CG 3.01Å; G146-E150 PolarHBondContact O-N 2.82Å; G146-Y459 WeakPolarHBondContact CA-OH 3.38Å
147	S	97.1	Very high	95.8	Very high	79 Å²	79	53.3 Å²	53.3	55%	0.552	29%	0.289	S	S	*	.	H	α-helix	trans	-65.8	-33.2	-178.3	58.2	0	0	0	0	113	S145 K151	S145-S147 VanDerWaalsContact C-N 3.34Å; S145-S147 PolarHBondContact O-N 2.83Å; S145-S147 PolarHBondContact OG-OG 2.81Å; S145-S147 VanDerWaalsContact OG-OG 3.13Å; S147-K151 WeakPolarHBondContact O-CB 3.29Å; S147-K151 PolarHBondContact O-N 3.18Å; S147-K151 VanDerWaalsContact O-N 3.1Å
148	V	97.4	Very high	96	Very high	57 Å²	57	56.1 Å²	56.1	35%	0.345	31%	0.31	S	S	.	.	H	α-helix	trans	-67.2	-44.3	172.8	174.9	0	0	0	0	110	Q143 S145 G146 K151 N152	Q143-V148 HydrophobicContact CG-CB 4.3Å; Q143-V148 HydrophobicContact CG-CG1 4.29Å; S145-V148 PolarHBondContact O-N 2.84Å; G146-V148 VanDerWaalsContact C-N 3.31Å; G146-V148 PolarHBondContact O-N 3.11Å; V148-K151 PolarHBondContact O-N 2.66Å; V148-N152 WeakPolarHBondContact O-CB 3.2Å; V148-N152 VanDerWaalsContact O-CG 3.23Å; V148-N152 PolarHBondContact O-N 2.75Å; V148-N152 PolarHBondContact O-OD1 2.89Å
149	W	97.8	Very high	96.2	Very high	6 Å²	6	55.5 Å²	55.5	2%	0.023	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-46.4	177	-176.5	85.2	0	0	0	112	Q143 S145 G146 K151 N152 M153 L223 V227 F455 Y459	Q143-W149 HydrophobicContact CB-CB 4.06Å; Q143-W149 HydrophobicContact CB-CG 4.48Å; Q143-W149 HydrophobicContact CG-CB 3.8Å; S145-W149 PolarHBondContact O-N 2.8Å; G146-W149 WeakPolarHBondContact O-CB 3.4Å; G146-W149 PolarHBondContact O-N 2.97Å; G146-W149 VanDerWaalsContact O-N 3.11Å; W149-K151 PolarHBondContact O-N 2.66Å; W149-N152 PolarHBondContact O-N 2.86Å; W149-M153 HydrophobicContact CD2-CG 3.81Å; W149-M153 VanDerWaalsContact CE2-CG 3.48Å; W149-M153 HydrophobicContact CE3-CG 4.21Å; W149-M153 HydrophobicContact CG-CG 4.34Å; W149-M153 HydrophobicContact CH2-CG 4.05Å; W149-M153 HydrophobicContact CZ2-CE 4.28Å; W149-M153 HydrophobicContact CZ2-CG 3.65Å; W149-M153 HydrophobicContact CZ2-SD 4.3Å; W149-M153 HydrophobicContact CZ3-CG 4.29Å; W149-M153 WeakPolarHBondContact O-CB 3.45Å; W149-M153 WeakPolarHBondContact O-CG 3.3Å; W149-M153 PolarHBondContact O-N 2.85Å; W149-L223 HydrophobicContact CH2-CD2 4.4Å; W149-V227 HydrophobicContact CB-CB 4.1Å; W149-V227 HydrophobicContact CB-CG2 3.59Å; W149-V227 HydrophobicContact CD2-CB 3.8Å; W149-V227 HydrophobicContact CD2-CG1 3.95Å; W149-V227 HydrophobicContact CD2-CG2 3.97Å; W149-V227 HydrophobicContact CE3-CB 4.49Å; W149-V227 HydrophobicContact CE3-CG1 4.33Å; W149-V227 HydrophobicContact CE3-CG2 4.38Å; W149-V227 HydrophobicContact CG-CB 3.59Å; W149-V227 HydrophobicContact CG-CG1 4.29Å; W149-V227 HydrophobicContact CG-CG2 3.63Å; W149-V227 HydrophobicContact CZ2-CG1 4.28Å; W149-F455 HydrophobicContact CH2-CB 4.18Å; W149-F455 HydrophobicContact CZ2-CB 4.34Å; W149-Y459 AromaticContact CE3-CD1 3.92Å; W149-Y459 HydrophobicContact CE3-CD1 3.92Å; W149-Y459 HydrophobicContact CE3-CD2 4.02Å; W149-Y459 HydrophobicContact CE3-CE1 4.35Å; W149-Y459 HydrophobicContact CE3-CE2 4.43Å; W149-Y459 AromaticContact CE3-CG 3.77Å; W149-Y459 HydrophobicContact CE3-CG 3.77Å; W149-Y459 HydrophobicContact CH2-CG 4.12Å; W149-Y459 AromaticContact CZ3-CD1 3.68Å; W149-Y459 HydrophobicContact CZ3-CD1 3.68Å; W149-Y459 AromaticContact CZ3-CD2 3.9Å; W149-Y459 HydrophobicContact CZ3-CD2 3.9Å; W149-Y459 AromaticContact CZ3-CG 3.32Å; W149-Y459 HydrophobicContact CZ3-CG 3.32Å
150	E	97.9	Very high	96.4	Very high	33 Å²	33	58 Å²	58	15%	0.154	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-44.6	177.7	-70.8	-176.9	116.3	0	0	112.4	G146 M153 R154 C155 Y459 K463	G146-E150 WeakPolarHBondContact O-CG 3.01Å; G146-E150 PolarHBondContact O-N 2.82Å; E150-M153 PolarHBondContact O-N 3.04Å; E150-R154 PolarHBondContact O-N 3.3Å; E150-C155 HydrophobicContact CB-CB 4.27Å; E150-C155 PolarHBondContact O-N 3.46Å; E150-Y459 HydrophobicContact CG-CD1 3.62Å; E150-Y459 HydrophobicContact CG-CE1 3.39Å; E150-Y459 WeakPolarHBondContact OE1-CE1 3.41Å; E150-K463 IonicContact OE1-NZ 3.51Å; E150-K463 PolarHBondContact OE1-NZ 2.95Å; E150-K463 IonicContact OE2-NZ 3.97Å; E150-K463 PolarHBondContact OE2-NZ 3.38Å
151	K	97.4	Very high	96.7	Very high	169 Å²	169	54 Å²	54	74%	0.735	30%	0.298	S	S	*	.	H	α-helix	trans	-60.9	-45.6	176.6	-177.1	-177.8	177.8	-176.6	0	111.2	S147 V148 W149 R154	S147-K151 WeakPolarHBondContact O-CB 3.29Å; S147-K151 PolarHBondContact O-N 3.18Å; S147-K151 VanDerWaalsContact O-N 3.1Å; V148-K151 PolarHBondContact O-N 2.66Å; W149-K151 PolarHBondContact O-N 2.66Å; K151-R154 PolarHBondContact O-N 2.89Å; K151-R154 VanDerWaalsContact O-N 3.17Å
152	N	96	Very high	96.9	Very high	44 Å²	44	54.1 Å²	54.1	24%	0.235	30%	0.298	C	S	.	.	H	α-helix	trans	-66.1	-43.4	-179.9	-71.3	-4.2	0	0	0	111.5	D44 I45 V148 W149 R154	D44-N152 HydrophobicContact CB-CB 3.96Å; D44-N152 VanDerWaalsContact CB-ND2 3.34Å; D44-N152 WeakPolarHBondContact CB-ND2 3.03Å; I45-N152 WeakPolarHBondContact CD1-O 3.28Å; I45-N152 VanDerWaalsContact CG1-O 3.24Å; I45-N152 WeakPolarHBondContact CG1-O 3.05Å; V148-N152 WeakPolarHBondContact O-CB 3.2Å; V148-N152 VanDerWaalsContact O-CG 3.23Å; V148-N152 PolarHBondContact O-N 2.75Å; V148-N152 PolarHBondContact O-OD1 2.89Å; W149-N152 PolarHBondContact O-N 2.86Å; N152-R154 PolarHBondContact O-N 3.3Å
153	M	96.6	Very high	97	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-70.4	-9.1	174.7	-69.9	-61.3	-68.4	0	0	113.6	I45 L47 W149 E150 C155 D452 F455	I45-M153 HydrophobicContact CB-SD 4.17Å; I45-M153 HydrophobicContact CG1-SD 4.17Å; I45-M153 HydrophobicContact CG2-CE 4.24Å; I45-M153 HydrophobicContact CG2-SD 3.73Å; L47-M153 HydrophobicContact CD2-CE 3.8Å; L47-M153 HydrophobicContact CG-CE 4.43Å; W149-M153 HydrophobicContact CD2-CG 3.81Å; W149-M153 VanDerWaalsContact CE2-CG 3.48Å; W149-M153 HydrophobicContact CE3-CG 4.21Å; W149-M153 HydrophobicContact CG-CG 4.34Å; W149-M153 HydrophobicContact CH2-CG 4.05Å; W149-M153 HydrophobicContact CZ2-CE 4.28Å; W149-M153 HydrophobicContact CZ2-CG 3.65Å; W149-M153 HydrophobicContact CZ2-SD 4.3Å; W149-M153 HydrophobicContact CZ3-CG 4.29Å; W149-M153 WeakPolarHBondContact O-CB 3.45Å; W149-M153 WeakPolarHBondContact O-CG 3.3Å; W149-M153 PolarHBondContact O-N 2.85Å; E150-M153 PolarHBondContact O-N 3.04Å; M153-C155 PolarHBondContact O-N 3.36Å; M153-D452 HydrophobicContact CE-CB 4.19Å; M153-F455 HydrophobicContact CE-CB 4.26Å
154	R	96.6	Very high	97	Very high	146 Å²	146	61.6 Å²	61.6	55%	0.551	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	43	-174.7	-53.6	-177.9	-177.6	169	5.9	111.7	E42 E150 K151 N152 R453	E42-R154 IonicContact OE1-CZ 2.7Å; E42-R154 IonicContact OE1-NH2 2.77Å; E42-R154 PolarHBondContact OE1-NH2 3.42Å; E150-R154 PolarHBondContact O-N 3.3Å; K151-R154 PolarHBondContact O-N 2.89Å; K151-R154 VanDerWaalsContact O-N 3.17Å; N152-R154 PolarHBondContact O-N 3.3Å; R154-R453 PolarHBondContact O-NH1 2.98Å
155	C	97.6	Very high	97.2	Very high	22 Å²	22	58.3 Å²	58.3	15%	0.149	31%	0.311	C	S	.	.			trans	-61.9	143	177.5	-63.6	0	0	0	0	110.8	E150 M153 C456	E150-C155 HydrophobicContact CB-CB 4.27Å; E150-C155 PolarHBondContact O-N 3.46Å; M153-C155 PolarHBondContact O-N 3.36Å; C155-C456 WeakPolarHBondContact CA-SG 3.41Å; C155-C456 HydrophobicContact CB-CB 3.66Å; C155-C456 WeakPolarHBondContact CB-SG 3.29Å; C155-C456 VanDerWaalsContact SG-CA 3.59Å; C155-C456 WeakPolarHBondContact SG-CB 3.36Å; C155-C456 CovalentContact SG-SG 2.04Å; C155-C456 PolarHBondContact SG-SG 2.89Å
156	P	96	Very high	97.3	Very high	43 Å²	43	56.9 Å²	56.9	28%	0.279	30%	0.3	S	S	.	.			trans	-59.1	150.2	168	-18.1	33.2	0	0	0	110	S158 F159	P156-S158 PolarHBondContact O-N 2.96Å; P156-F159 HydrophobicContact CB-CZ 4.47Å; P156-F159 HydrophobicContact CG-CE1 4.01Å; P156-F159 HydrophobicContact CG-CE2 4.35Å; P156-F159 HydrophobicContact CG-CZ 3.78Å
157	E	93.9	Very high	97.3	Very high	192 Å²	192	60.8 Å²	60.8	90%	0.897	33%	0.325	S	S	*	.	S	Bend	trans	-62.2	-31.1	178.4	-65.1	-177.2	168.4	0	0	112.5
158	S	95.9	Very high	97.3	Very high	75 Å²	75	59.8 Å²	59.8	52%	0.524	31%	0.313	S	S	.	.			trans	-153.6	163.2	176.7	61.9	0	0	0	0	111.2	P156	P156-S158 PolarHBondContact O-N 2.96Å
159	F	98.2	Very high	97.2	Very high	20 Å²	20	57.8 Å²	57.8	9%	0.088	30%	0.299	C	S	.	.			trans	-119.1	124.7	170.6	-67.7	-92.2	0	0	0	108.9	P156 Q161 I162 S163 C456 Y457 T460	P156-F159 HydrophobicContact CB-CZ 4.47Å; P156-F159 HydrophobicContact CG-CE1 4.01Å; P156-F159 HydrophobicContact CG-CE2 4.35Å; P156-F159 HydrophobicContact CG-CZ 3.78Å; F159-Q161 PolarHBondContact O-N 3.47Å; F159-I162 HydrophobicContact CB-CB 4.17Å; F159-I162 HydrophobicContact CB-CD1 3.78Å; F159-I162 HydrophobicContact CB-CG1 3.85Å; F159-I162 HydrophobicContact CD2-CD1 3.82Å; F159-I162 HydrophobicContact CG-CD1 4.03Å; F159-I162 PolarHBondContact O-N 3.16Å; F159-I162 VanDerWaalsContact O-N 3.09Å; F159-S163 PolarHBondContact O-N 3.43Å; F159-S163 PolarHBondContact O-OG 2.83Å; F159-C456 HydrophobicContact CE2-CB 4.27Å; F159-C456 HydrophobicContact CZ-CB 3.88Å; F159-Y457 HydrophobicContact CB-CD2 4.18Å; F159-Y457 HydrophobicContact CB-CE2 4.1Å; F159-Y457 AromaticContact CD1-CD2 3.56Å; F159-Y457 HydrophobicContact CD1-CD2 3.56Å; F159-Y457 HydrophobicContact CD1-CE2 4.19Å; F159-Y457 HydrophobicContact CD1-CG 4.49Å; F159-Y457 HydrophobicContact CD2-CD2 4.39Å; F159-Y457 AromaticContact CE1-CD2 3.94Å; F159-Y457 HydrophobicContact CE1-CD2 3.94Å; F159-Y457 AromaticContact CG-CD2 3.79Å; F159-Y457 HydrophobicContact CG-CD2 3.79Å; F159-Y457 HydrophobicContact CG-CE2 4.23Å; F159-T460 HydrophobicContact CD2-CG2 4.02Å; F159-T460 HydrophobicContact CE2-CG2 4.45Å
160	A	97.5	Very high	97	Very high	59 Å²	59	62.3 Å²	62.3	49%	0.488	34%	0.338	S	S	.	.	H	α-helix	trans	-58.1	-35.3	-175.3	0	0	0	0	0	112.7	R164	A160-R164 VanDerWaalsContact O-CB 3.29Å; A160-R164 WeakPolarHBondContact O-CB 3.38Å; A160-R164 PolarHBondContact O-N 2.84Å
161	Q	98.3	Very high	96.9	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.009	35%	0.353	C	S	.	.	H	α-helix	trans	-66	-47.6	176.1	-174.4	63.4	42.5	0	0	112.5	F159 S163 R164 D165 H399 N402 Y457	F159-Q161 PolarHBondContact O-N 3.47Å; Q161-S163 PolarHBondContact O-N 3.01Å; Q161-R164 WeakPolarHBondContact O-CB 3.34Å; Q161-R164 PolarHBondContact O-N 2.04Å; Q161-D165 PolarHBondContact NE2-OD1 2.92Å; Q161-D165 PolarHBondContact NE2-OD2 3.18Å; Q161-D165 PolarHBondContact O-N 3.23Å; Q161-H399 WeakPolarHBondContact CB-O 2.97Å; Q161-H399 VanDerWaalsContact CG-O 3.29Å; Q161-H399 WeakPolarHBondContact CG-O 3.45Å; Q161-N402 PolarHBondContact OE1-ND2 2.84Å; Q161-Y457 HydrophobicContact CB-CE2 4.33Å; Q161-Y457 VanDerWaalsContact CG-OH 3.32Å; Q161-Y457 WeakPolarHBondContact CG-OH 3.37Å
162	I	98.7	Very high	96.9	Very high	4 Å²	4	56 Å²	56	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-49.2	178.1	-61.5	178.2	0	0	0	109.7	F159 R164 D165 L166 Y457 T460 L461 E464	F159-I162 HydrophobicContact CB-CB 4.17Å; F159-I162 HydrophobicContact CB-CD1 3.78Å; F159-I162 HydrophobicContact CB-CG1 3.85Å; F159-I162 HydrophobicContact CD2-CD1 3.82Å; F159-I162 HydrophobicContact CG-CD1 4.03Å; F159-I162 PolarHBondContact O-N 3.16Å; F159-I162 VanDerWaalsContact O-N 3.09Å; I162-R164 VanDerWaalsContact C-N 3.3Å; I162-R164 PolarHBondContact O-N 3.23Å; I162-D165 PolarHBondContact O-N 3.04Å; I162-L166 HydrophobicContact CG2-CD1 3.65Å; I162-L166 HydrophobicContact CG2-CG 4.09Å; I162-L166 WeakPolarHBondContact O-CB 3.4Å; I162-L166 WeakPolarHBondContact O-CG 3.39Å; I162-L166 PolarHBondContact O-N 3.37Å; I162-Y457 HydrophobicContact CD1-CD1 4.04Å; I162-Y457 HydrophobicContact CD1-CD2 4.09Å; I162-Y457 HydrophobicContact CD1-CE1 3.93Å; I162-Y457 HydrophobicContact CD1-CE2 3.99Å; I162-Y457 HydrophobicContact CD1-CG 4.12Å; I162-Y457 WeakPolarHBondContact CD1-O 3.5Å; I162-Y457 HydrophobicContact CG1-CD1 4.41Å; I162-Y457 HydrophobicContact CG1-CD2 4.34Å; I162-Y457 HydrophobicContact CG1-CE1 3.8Å; I162-Y457 HydrophobicContact CG1-CE2 3.72Å; I162-Y457 VanDerWaalsContact CG1-CZ 3.41Å; I162-T460 HydrophobicContact CD1-CG2 4.09Å; I162-L461 HydrophobicContact CD1-CB 3.88Å; I162-L461 HydrophobicContact CG1-CB 4.44Å; I162-L461 HydrophobicContact CG1-CD1 4.45Å; I162-L461 HydrophobicContact CG2-CD1 4.14Å; I162-E464 HydrophobicContact CG2-CB 4.49Å
163	S	98.3	Very high	97	Very high	67 Å²	67	56.2 Å²	56.2	47%	0.469	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-41.5	178.8	-59	0	0	0	0	112.1	F159 Q161 S167	F159-S163 PolarHBondContact O-N 3.43Å; F159-S163 PolarHBondContact O-OG 2.83Å; Q161-S163 PolarHBondContact O-N 3.01Å; S163-S167 VanDerWaalsContact O-CB 3.25Å; S163-S167 WeakPolarHBondContact O-CB 3.33Å; S163-S167 PolarHBondContact O-N 2.98Å
164	R	97.7	Very high	97.1	Very high	144 Å²	144	56.2 Å²	56.2	54%	0.543	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-51.7	176.9	179	-173.9	-64	-102	0.5	111.5	A160 Q161 I162 S167	A160-R164 VanDerWaalsContact O-CB 3.29Å; A160-R164 WeakPolarHBondContact O-CB 3.38Å; A160-R164 PolarHBondContact O-N 2.84Å; Q161-R164 WeakPolarHBondContact O-CB 3.34Å; Q161-R164 PolarHBondContact O-N 2.04Å; I162-R164 VanDerWaalsContact C-N 3.3Å; I162-R164 PolarHBondContact O-N 3.23Å; R164-S167 PolarHBondContact O-N 2.97Å; R164-S167 PolarHBondContact O-OG 3.17Å
165	D	98.3	Very high	97.2	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.027	30%	0.304	C	S	.	.	H	α-helix	trans	-68	-41.5	-175	-67.8	-14.6	0	0	0	111.6	Q161 I162 Y169 I267 V268	Q161-D165 PolarHBondContact NE2-OD1 2.92Å; Q161-D165 PolarHBondContact NE2-OD2 3.18Å; Q161-D165 PolarHBondContact O-N 3.23Å; I162-D165 PolarHBondContact O-N 3.04Å; D165-Y169 WeakPolarHBondContact O-CD2 3.24Å; D165-Y169 WeakPolarHBondContact O-CE2 3.44Å; D165-I267 HydrophobicContact CB-CB 4.44Å; D165-I267 HydrophobicContact CB-CG1 4.36Å; D165-I267 HydrophobicContact CB-CG2 4.3Å; D165-V268 PolarHBondContact OD2-N 3.22Å
166	L	98.4	Very high	97.2	Very high	15 Å²	15	52.5 Å²	52.5	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-74	-25.4	-180	-64.1	-171	0	0	0	113.4	I162 L168 Y169 I267 E464 Y465 L468	I162-L166 HydrophobicContact CG2-CD1 3.65Å; I162-L166 HydrophobicContact CG2-CG 4.09Å; I162-L166 WeakPolarHBondContact O-CB 3.4Å; I162-L166 WeakPolarHBondContact O-CG 3.39Å; I162-L166 PolarHBondContact O-N 3.37Å; L166-L168 PolarHBondContact O-N 3.45Å; L166-Y169 PolarHBondContact O-N 2.86Å; L166-I267 HydrophobicContact CD2-CD1 3.75Å; L166-I267 HydrophobicContact CD2-CG1 4.13Å; L166-I267 HydrophobicContact CD2-CG2 4.13Å; L166-E464 HydrophobicContact CD1-CB 3.63Å; L166-Y465 HydrophobicContact CD2-CD2 3.83Å; L166-L468 HydrophobicContact CB-CD1 4.23Å; L166-L468 HydrophobicContact CD2-CD1 4.26Å
167	S	97.2	Very high	97.2	Very high	93 Å²	93	51 Å²	51	65%	0.65	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.3	178.2	71	0	0	0	0	114.4	S163 R164 Y169	S163-S167 VanDerWaalsContact O-CB 3.25Å; S163-S167 WeakPolarHBondContact O-CB 3.33Å; S163-S167 PolarHBondContact O-N 2.98Å; R164-S167 PolarHBondContact O-N 2.97Å; R164-S167 PolarHBondContact O-OG 3.17Å; S167-Y169 VanDerWaalsContact C-N 3.26Å; S167-Y169 PolarHBondContact O-N 3.26Å
168	L	96.6	Very high	97.4	Very high	58 Å²	58	42.7 Å²	42.7	30%	0.304	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.3	177.2	-59.6	172.3	0	0	0	113.1	L166 P248 L252 R265	L166-L168 PolarHBondContact O-N 3.45Å; L168-P248 HydrophobicContact CD2-CB 4.3Å; L168-P248 HydrophobicContact CD2-CG 4.32Å; L168-L252 HydrophobicContact CB-CD1 4.01Å; L168-R265 HydrophobicContact CD1-CB 3.94Å; L168-R265 HydrophobicContact CD1-CG 4.21Å
169	Y	95.8	Very high	97.4	Very high	15 Å²	15	44.7 Å²	44.7	6%	0.059	27%	0.265	C	S	.	.			trans	-118.9	103.7	-174.2	-56.1	-85.9	0	0	0	109.6	D165 L166 S167 S171 L252 H253 P254 R265 I267	D165-Y169 WeakPolarHBondContact O-CD2 3.24Å; D165-Y169 WeakPolarHBondContact O-CE2 3.44Å; L166-Y169 PolarHBondContact O-N 2.86Å; S167-Y169 VanDerWaalsContact C-N 3.26Å; S167-Y169 PolarHBondContact O-N 3.26Å; Y169-S171 VanDerWaalsContact C-N 3.27Å; Y169-S171 PolarHBondContact O-N 3.23Å; Y169-L252 HydrophobicContact CD1-CB 4.31Å; Y169-L252 HydrophobicContact CE1-CB 3.58Å; Y169-L252 HydrophobicContact CE1-CD1 4.18Å; Y169-H253 PolarHBondContact OH-O 3.13Å; Y169-P254 HydrophobicContact CD1-CB 4.16Å; Y169-P254 HydrophobicContact CE1-CB 3.78Å; Y169-P254 HydrophobicContact CE1-CG 4.4Å; Y169-R265 PolarHBondContact OH-O 3.03Å; Y169-I267 HydrophobicContact CD2-CD1 4.4Å; Y169-I267 HydrophobicContact CE2-CD1 3.98Å; Y169-I267 HydrophobicContact CE2-CG1 3.93Å
170	A	93.6	Very high	97.4	Very high	102 Å²	102	46.1 Å²	46.1	84%	0.843	27%	0.272	S	S	*	.	S	Bend	trans	-66.4	-34	173.8	0	0	0	0	0	112
171	S	96.4	Very high	97.4	Very high	66 Å²	66	43.3 Å²	43.3	46%	0.462	25%	0.249	S	C	.	.			trans	-155.8	155.3	177.2	58	0	0	0	0	109.8	Y169 L468	Y169-S171 VanDerWaalsContact C-N 3.27Å; Y169-S171 PolarHBondContact O-N 3.23Å; S171-L468 CarbonylContact C-O 3.44Å; S171-L468 WeakPolarHBondContact CA-O 3.34Å
172	V	97.9	Very high	97.4	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-121.6	125.8	176.5	171.2	0	0	0	0	107.4	P174 N177 P254 Y465 L468 Q469 I470	V172-P174 VanDerWaalsContact O-CD 3.22Å; V172-P174 WeakPolarHBondContact O-CD 3.23Å; V172-N177 WeakPolarHBondContact CG1-ND2 3.36Å; V172-P254 HydrophobicContact CG1-CG 4.06Å; V172-P254 HydrophobicContact CG2-CG 4.19Å; V172-Y465 HydrophobicContact CG1-CE2 4.32Å; V172-Y465 WeakPolarHBondContact CG1-OH 3.39Å; V172-Y465 HydrophobicContact CG2-CD2 4.48Å; V172-Y465 HydrophobicContact CG2-CE2 3.76Å; V172-L468 HydrophobicContact CB-CB 4.27Å; V172-L468 HydrophobicContact CG2-CB 3.87Å; V172-L468 HydrophobicContact CG2-CD1 4.47Å; V172-L468 PolarHBondContact N-O 2.93Å; V172-Q469 HydrophobicContact CB-CG 4.21Å; V172-Q469 HydrophobicContact CG1-CG 4.06Å; V172-Q469 VanDerWaalsContact O-CA 3.27Å; V172-Q469 WeakPolarHBondContact O-CA 3.39Å; V172-I470 WeakPolarHBondContact O-CG1 3.43Å; V172-I470 PolarHBondContact O-N 2.86Å
173	D	98.1	Very high	97.2	Very high	48 Å²	48	52 Å²	52	26%	0.257	29%	0.288	S	S	.	.			trans	-105.4	99.9	174.8	-177.1	-21.1	0	0	0	109.3	D175 L176 N177 I470	D173-D175 VanDerWaalsContact C-N 3.29Å; D173-D175 PolarHBondContact O-N 2.99Å; D173-D175 PolarHBondContact OD1-N 2.99Å; D173-L176 HydrophobicContact CB-CB 3.86Å; D173-L176 HydrophobicContact CB-CD2 4.49Å; D173-L176 PolarHBondContact O-N 3.37Å; D173-L176 PolarHBondContact OD1-N 3.43Å; D173-N177 VanDerWaalsContact O-CB 3.25Å; D173-N177 WeakPolarHBondContact O-CB 3.21Å; D173-N177 PolarHBondContact O-N 2.46Å; D173-N177 PolarHBondContact O-ND2 3.03Å; D173-I470 HydrophobicContact CB-CD1 3.99Å; D173-I470 HydrophobicContact CB-CG1 4.07Å
174	P	98.3	Very high	97.1	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.013	28%	0.28	C	S	.	.	H	α-helix	trans	-52.9	-42.8	176	-29.3	34.4	0	0	0	113.9	V172 L176 N177 A178 E233 Q469 T471 R476	V172-P174 VanDerWaalsContact O-CD 3.22Å; V172-P174 WeakPolarHBondContact O-CD 3.23Å; P174-L176 PolarHBondContact O-N 2.81Å; P174-N177 PolarHBondContact O-N 2.9Å; P174-A178 VanDerWaalsContact O-CB 3.27Å; P174-A178 WeakPolarHBondContact O-CB 3.43Å; P174-A178 PolarHBondContact O-N 2.88Å; P174-E233 HydrophobicContact CB-CB 4.18Å; P174-E233 HydrophobicContact CB-CG 4.39Å; P174-Q469 HydrophobicContact CG-CB 4.04Å; P174-Q469 HydrophobicContact CG-CG 4.11Å; P174-Q469 VanDerWaalsContact CG-OE1 3.26Å; P174-T471 VanDerWaalsContact CD-OG1 3.29Å; P174-T471 WeakPolarHBondContact CD-OG1 3.37Å; P174-R476 PolarHBondContact O-NH2 3.47Å
175	D	98	Very high	97	Very high	40 Å²	40	46.3 Å²	46.3	21%	0.214	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-37.1	-174.3	-75.4	-35.7	0	0	0	111.8	D173 Q179 T471 K474 R476	D173-D175 VanDerWaalsContact C-N 3.29Å; D173-D175 PolarHBondContact O-N 2.99Å; D173-D175 PolarHBondContact OD1-N 2.99Å; D175-Q179 PolarHBondContact O-NE2 2.93Å; D175-T471 PolarHBondContact OD2-OG1 2.91Å; D175-K474 IonicContact OD1-NZ 2.92Å; D175-K474 PolarHBondContact OD1-NZ 3.31Å; D175-K474 IonicContact OD2-NZ 3.63Å; D175-K474 PolarHBondContact OD2-NZ 3.49Å; D175-R476 IonicContact OD1-CZ 3.6Å; D175-R476 IonicContact OD1-NH1 3.4Å; D175-R476 PolarHBondContact OD1-NH1 3.35Å; D175-R476 IonicContact OD1-NH2 3.13Å; D175-R476 PolarHBondContact OD1-NH2 3.11Å
176	L	97.2	Very high	96.5	Very high	50 Å²	50	46.5 Å²	46.5	26%	0.262	26%	0.26	S	S	.	.	H	α-helix	trans	-70.5	-46.8	172	-176.1	70.3	0	0	0	112	D173 P174 A178 Q179 E180	D173-L176 HydrophobicContact CB-CB 3.86Å; D173-L176 HydrophobicContact CB-CD2 4.49Å; D173-L176 PolarHBondContact O-N 3.37Å; D173-L176 PolarHBondContact OD1-N 3.43Å; P174-L176 PolarHBondContact O-N 2.81Å; L176-A178 VanDerWaalsContact C-N 3.3Å; L176-A178 PolarHBondContact O-N 3Å; L176-Q179 PolarHBondContact O-N 3.47Å; L176-E180 HydrophobicContact CD1-CG 4.06Å; L176-E180 WeakPolarHBondContact CD1-OE1 3.48Å; L176-E180 HydrophobicContact CG-CG 4.21Å; L176-E180 PolarHBondContact O-N 3.27Å
177	N	97.6	Very high	95.8	Very high	10 Å²	10	54 Å²	54	5%	0.053	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-40.8	-178.3	-78.9	-19.8	0	0	0	112	V172 D173 P174 Q179 E180 I181 F235 P254	V172-N177 WeakPolarHBondContact CG1-ND2 3.36Å; D173-N177 VanDerWaalsContact O-CB 3.25Å; D173-N177 WeakPolarHBondContact O-CB 3.21Å; D173-N177 PolarHBondContact O-N 2.46Å; D173-N177 PolarHBondContact O-ND2 3.03Å; P174-N177 PolarHBondContact O-N 2.9Å; N177-Q179 PolarHBondContact O-N 3.35Å; N177-Q179 VanDerWaalsContact O-N 3.12Å; N177-E180 PolarHBondContact O-N 3.01Å; N177-I181 HydrophobicContact CB-CD1 3.75Å; N177-I181 HydrophobicContact CB-CG1 4.35Å; N177-I181 VanDerWaalsContact O-CB 3.31Å; N177-I181 WeakPolarHBondContact O-CB 3.26Å; N177-I181 WeakPolarHBondContact O-CG1 3.5Å; N177-I181 PolarHBondContact O-N 3.36Å; N177-F235 HydrophobicContact CB-CE2 4.28Å; N177-P254 WeakPolarHBondContact ND2-CG 3.22Å
178	A	97.8	Very high	95.1	Very high	19 Å²	19	60.2 Å²	60.2	16%	0.157	30%	0.304	C	S	.	.	H	α-helix	trans	-57.3	-25.7	175.7	0	0	0	0	0	113.7	P174 L176 P182	P174-A178 VanDerWaalsContact O-CB 3.27Å; P174-A178 WeakPolarHBondContact O-CB 3.43Å; P174-A178 PolarHBondContact O-N 2.88Å; L176-A178 VanDerWaalsContact C-N 3.3Å; L176-A178 PolarHBondContact O-N 3Å; A178-P182 WeakPolarHBondContact O-CD 3.41Å; A178-P182 WeakPolarHBondContact O-CG 3.48Å
179	Q	96.6	Very high	94.7	Very high	116 Å²	116	60.6 Å²	60.6	54%	0.542	30%	0.304	S	S	.	.	H	α-helix	trans	-95.1	-43.3	178	-60.2	178.6	31	0	0	112.5	D175 L176 N177 K183	D175-Q179 PolarHBondContact O-NE2 2.93Å; L176-Q179 PolarHBondContact O-N 3.47Å; N177-Q179 PolarHBondContact O-N 3.35Å; N177-Q179 VanDerWaalsContact O-N 3.12Å; Q179-K183 VanDerWaalsContact O-CD 3.3Å; Q179-K183 WeakPolarHBondContact O-CD 3.09Å; Q179-K183 VanDerWaalsContact O-CG 3.28Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å
180	E	97.6	Very high	94.6	Very high	51 Å²	51	60.8 Å²	60.8	24%	0.238	31%	0.308	C	S	.	.	H	α-helix	trans	-81.7	-40.3	-171.2	-67.1	-171	168.5	0	0	113	L176 N177 K183 R184 K251 H253	L176-E180 HydrophobicContact CD1-CG 4.06Å; L176-E180 WeakPolarHBondContact CD1-OE1 3.48Å; L176-E180 HydrophobicContact CG-CG 4.21Å; L176-E180 PolarHBondContact O-N 3.27Å; N177-E180 PolarHBondContact O-N 3.01Å; E180-K183 PolarHBondContact O-N 2.97Å; E180-R184 PolarHBondContact O-N 3.03Å; E180-R184 VanDerWaalsContact O-N 3.14Å; E180-K251 IonicContact OE1-NZ 2.73Å; E180-K251 PolarHBondContact OE1-NZ 3.23Å; E180-K251 IonicContact OE2-NZ 3.37Å; E180-K251 PolarHBondContact OE2-NZ 3.11Å; E180-H253 VanDerWaalsContact CB-NE2 3.32Å; E180-H253 WeakPolarHBondContact CB-NE2 3.33Å; E180-H253 IonicContact OE2-CD2 3.93Å; E180-H253 IonicContact OE2-CE1 2.78Å; E180-H253 IonicContact OE2-NE2 2.97Å; E180-H253 PolarHBondContact OE2-NE2 2.96Å
181	I	97.7	Very high	94.8	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.5	-47.8	-174.4	-65.7	177.2	0	0	0	111.5	N177 K183 R184 F185 L191 F235 H253 I255	N177-I181 HydrophobicContact CB-CD1 3.75Å; N177-I181 HydrophobicContact CB-CG1 4.35Å; N177-I181 VanDerWaalsContact O-CB 3.31Å; N177-I181 WeakPolarHBondContact O-CB 3.26Å; N177-I181 WeakPolarHBondContact O-CG1 3.5Å; N177-I181 PolarHBondContact O-N 3.36Å; I181-K183 VanDerWaalsContact C-N 3.3Å; I181-K183 PolarHBondContact O-N 2.86Å; I181-R184 PolarHBondContact O-N 2.78Å; I181-R184 VanDerWaalsContact O-N 3.13Å; I181-F185 HydrophobicContact CG2-CD2 4.01Å; I181-F185 PolarHBondContact O-N 3.49Å; I181-L191 HydrophobicContact CG2-CD2 3.84Å; I181-F235 HydrophobicContact CB-CD1 4.29Å; I181-F235 HydrophobicContact CB-CD2 4.28Å; I181-F235 HydrophobicContact CB-CE1 4.1Å; I181-F235 HydrophobicContact CB-CE2 4.14Å; I181-F235 HydrophobicContact CB-CG 4.34Å; I181-F235 HydrophobicContact CB-CZ 4.02Å; I181-F235 HydrophobicContact CD1-CB 4.38Å; I181-F235 HydrophobicContact CD1-CD2 3.51Å; I181-F235 HydrophobicContact CD1-CE2 3.9Å; I181-F235 HydrophobicContact CD1-CG 3.98Å; I181-F235 HydrophobicContact CG1-CD2 4.47Å; I181-F235 HydrophobicContact CG2-CB 4.27Å; I181-F235 HydrophobicContact CG2-CD1 3.56Å; I181-F235 HydrophobicContact CG2-CD2 4.17Å; I181-F235 HydrophobicContact CG2-CE1 3.77Å; I181-F235 HydrophobicContact CG2-CE2 4.39Å; I181-F235 HydrophobicContact CG2-CG 3.73Å; I181-F235 HydrophobicContact CG2-CZ 4.18Å; I181-H253 HydrophobicContact CD1-CB 3.93Å; I181-H253 HydrophobicContact CG1-CB 3.75Å; I181-I255 HydrophobicContact CD1-CD1 3.84Å; I181-I255 HydrophobicContact CG1-CD1 4.28Å; I181-I255 HydrophobicContact CG2-CD1 3.5Å; I181-I255 VanDerWaalsContact CG2-CD1 3.5Å
182	P	96.7	Very high	94.9	Very high	22 Å²	22	52.8 Å²	52.8	14%	0.143	25%	0.245	C	C	.	.	H	α-helix	trans	-60.7	-36	175.8	-27.6	38.1	0	0	0	113.6	A178 R184 G186 F206 F235	A178-P182 WeakPolarHBondContact O-CD 3.41Å; A178-P182 WeakPolarHBondContact O-CG 3.48Å; P182-R184 VanDerWaalsContact C-N 3.29Å; P182-R184 PolarHBondContact O-N 3.09Å; P182-G186 VanDerWaalsContact O-CA 3.26Å; P182-G186 WeakPolarHBondContact O-CA 3.48Å; P182-G186 PolarHBondContact O-N 3.06Å; P182-F206 HydrophobicContact CB-CD1 3.92Å; P182-F206 HydrophobicContact CB-CE1 3.62Å; P182-F206 HydrophobicContact CB-CZ 4.01Å; P182-F206 HydrophobicContact CG-CD1 4.44Å; P182-F206 HydrophobicContact CG-CE1 3.83Å; P182-F206 HydrophobicContact CG-CE2 4.16Å; P182-F206 HydrophobicContact CG-CZ 3.67Å; P182-F235 HydrophobicContact CG-CE1 3.93Å; P182-F235 HydrophobicContact CG-CZ 4Å
183	K	95.9	Very high	94.9	Very high	165 Å²	165	52.9 Å²	52.9	72%	0.717	25%	0.245	S	C	*	.	H	α-helix	trans	-63.7	-36.8	176.3	-72.4	174.6	-174.3	172.7	0	111.9	Q179 E180 I181	Q179-K183 VanDerWaalsContact O-CD 3.3Å; Q179-K183 WeakPolarHBondContact O-CD 3.09Å; Q179-K183 VanDerWaalsContact O-CG 3.28Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; E180-K183 PolarHBondContact O-N 2.97Å; I181-K183 VanDerWaalsContact C-N 3.3Å; I181-K183 PolarHBondContact O-N 2.86Å
184	R	95.5	Very high	95	Very high	78 Å²	78	50.6 Å²	50.6	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-82.8	-38.4	-177.4	-172.3	174	169.4	-154.3	-7	113	E180 I181 P182 E244 H253	E180-R184 PolarHBondContact O-N 3.03Å; E180-R184 VanDerWaalsContact O-N 3.14Å; I181-R184 PolarHBondContact O-N 2.78Å; I181-R184 VanDerWaalsContact O-N 3.13Å; P182-R184 VanDerWaalsContact C-N 3.29Å; P182-R184 PolarHBondContact O-N 3.09Å; R184-E244 IonicContact CZ-OE1 3.39Å; R184-E244 IonicContact CZ-OE2 3.23Å; R184-E244 VanDerWaalsContact NH1-CD 3.33Å; R184-E244 IonicContact NH1-OE1 2.93Å; R184-E244 PolarHBondContact NH1-OE1 3.48Å; R184-E244 IonicContact NH1-OE2 3.72Å; R184-E244 PolarHBondContact NH1-OE2 2.67Å; R184-E244 IonicContact NH2-OE1 3.61Å; R184-E244 PolarHBondContact NH2-OE1 3.29Å; R184-E244 IonicContact NH2-OE2 3.71Å; R184-H253 PolarHBondContact NH1-ND1 3.27Å; R184-H253 VanDerWaalsContact NH1-ND1 3.17Å
185	F	95.1	Very high	95	Very high	15 Å²	15	50.5 Å²	50.5	7%	0.066	23%	0.233	C	C	.	.	H	α-helix	trans	-121.7	-26.8	-169.5	-58.2	-69.7	0	0	0	114.3	I181 Q187 R188 Q189 L191 L243 H253 I255	I181-F185 HydrophobicContact CG2-CD2 4.01Å; I181-F185 PolarHBondContact O-N 3.49Å; F185-Q187 VanDerWaalsContact C-N 3.28Å; F185-Q187 PolarHBondContact O-N 3.27Å; F185-Q187 VanDerWaalsContact O-N 3.13Å; F185-R188 PolarHBondContact O-N 2.78Å; F185-Q189 HydrophobicContact CB-CB 4.43Å; F185-Q189 HydrophobicContact CB-CG 4.26Å; F185-Q189 HydrophobicContact CD1-CG 4.38Å; F185-Q189 WeakPolarHBondContact O-CB 3.33Å; F185-Q189 PolarHBondContact O-N 2.94Å; F185-L191 HydrophobicContact CB-CD2 4.25Å; F185-L243 HydrophobicContact CB-CD1 4.42Å; F185-L243 HydrophobicContact CD1-CB 4.15Å; F185-L243 HydrophobicContact CD1-CD1 3.99Å; F185-L243 HydrophobicContact CE1-CB 3.76Å; F185-L243 HydrophobicContact CE1-CD1 4.44Å; F185-L243 HydrophobicContact CG-CD1 4.22Å; F185-L243 HydrophobicContact CZ-CB 4.16Å; F185-H253 HydrophobicContact CE2-CB 4.47Å; F185-I255 HydrophobicContact CD2-CD1 4.43Å; F185-I255 HydrophobicContact CE2-CD1 4.4Å; F185-I255 HydrophobicContact CE2-CG1 4.35Å
186	G	87.9	Confident	95	Very high	8 Å²	8	48.6 Å²	48.6	8%	0.082	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.9	-167	0	0	0	0	0	116.5	P182 F206 G207	P182-G186 VanDerWaalsContact O-CA 3.26Å; P182-G186 WeakPolarHBondContact O-CA 3.48Å; P182-G186 PolarHBondContact O-N 3.06Å; G186-F206 CarbonylContact O-C 3.58Å; G186-F206 WeakPolarHBondContact O-CB 3.14Å; G186-G207 PolarHBondContact O-N 3.06Å
187	Q	84.5	Confident	95.1	Very high	174 Å²	174	47.6 Å²	47.6	81%	0.813	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-26.5	175.5	-70.5	-174.4	-15	0	0	113.7	F185	F185-Q187 VanDerWaalsContact C-N 3.28Å; F185-Q187 PolarHBondContact O-N 3.27Å; F185-Q187 VanDerWaalsContact O-N 3.13Å
188	R	82.8	Confident	95.1	Very high	222 Å²	222	52.9 Å²	52.9	84%	0.838	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.2	-12.6	-168.3	-65.7	-175.8	179.5	178	-0.3	113.8	F185	F185-R188 PolarHBondContact O-N 2.78Å
189	Q	88.5	Confident	95.1	Very high	67 Å²	67	53.1 Å²	53.1	31%	0.313	24%	0.239	S	C	.	.	S	Bend	trans	-121.6	154.4	-176.8	-54.9	-58.4	-27.3	0	0	109.7	F185 L191 L243	F185-Q189 HydrophobicContact CB-CB 4.43Å; F185-Q189 HydrophobicContact CB-CG 4.26Å; F185-Q189 HydrophobicContact CD1-CG 4.38Å; F185-Q189 WeakPolarHBondContact O-CB 3.33Å; F185-Q189 PolarHBondContact O-N 2.94Å; Q189-L191 PolarHBondContact O-N 2.94Å; Q189-L243 HydrophobicContact CB-CD1 4.18Å; Q189-L243 HydrophobicContact CG-CD1 4.02Å; Q189-L243 HydrophobicContact CG-CD2 3.88Å
190	S	93.5	Very high	95.2	Very high	19 Å²	19	52.2 Å²	52.2	13%	0.133	23%	0.233	C	C	.	.			trans	-80.2	104.9	167.7	-59.8	0	0	0	0	108.9	H209 L238	S190-H209 WeakPolarHBondContact CB-O 3.48Å; S190-H209 VanDerWaalsContact OG-C 3.28Å; S190-H209 WeakPolarHBondContact OG-CB 3.44Å; S190-H209 PolarHBondContact OG-O 3.23Å; S190-L238 PolarHBondContact O-N 3.48Å
191	L	97.4	Very high	95.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	137.4	-171	-177.9	80.6	0	0	0	110.4	I181 F185 Q189 T205 F206 F235 V236	I181-L191 HydrophobicContact CG2-CD2 3.84Å; F185-L191 HydrophobicContact CB-CD2 4.25Å; Q189-L191 PolarHBondContact O-N 2.94Å; L191-T205 CarbonylContact O-C 3.58Å; L191-F206 HydrophobicContact CB-CB 4.28Å; L191-F206 HydrophobicContact CD2-CD2 4.24Å; L191-F206 PolarHBondContact N-O 3.44Å; L191-F206 PolarHBondContact O-N 3.05Å; L191-F235 HydrophobicContact CD1-CB 4.31Å; L191-F235 HydrophobicContact CD1-CD1 4.12Å; L191-F235 HydrophobicContact CD2-CD1 3.71Å; L191-F235 HydrophobicContact CD2-CE1 4Å; L191-F235 HydrophobicContact CG-CD1 3.93Å; L191-V236 WeakPolarHBondContact CA-O 3.47Å
192	C	98.1	Very high	95.3	Very high	0 Å²	0	52 Å²	52	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.6	172.5	-74.3	0	0	0	0	110.5	Y194 V203 F235 V236 L238	C192-Y194 HydrophobicContact CB-CD2 3.85Å; C192-Y194 HydrophobicContact CB-CE2 3.28Å; C192-V203 HydrophobicContact CB-CG2 3.97Å; C192-F235 CarbonylContact O-C 3.53Å; C192-F235 VanDerWaalsContact O-CA 3.31Å; C192-F235 WeakPolarHBondContact O-CA 3.34Å; C192-V236 HydrophobicContact CB-CB 4.44Å; C192-V236 PolarHBondContact N-O 2.91Å; C192-V236 PolarHBondContact O-N 2.98Å; C192-L238 VanDerWaalsContact SG-CD1 3.6Å
193	H	98.6	Very high	95.4	Very high	4 Å²	4	51 Å²	51	2%	0.019	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	111.5	170.6	-177.1	-176.1	0	0	0	108.4	V203 K204 F206 E233 F235 M479	H193-V203 CarbonylContact O-C 3.56Å; H193-V203 VanDerWaalsContact O-CA 3.24Å; H193-V203 WeakPolarHBondContact O-CA 3.26Å; H193-K204 HydrophobicContact CB-CB 4.47Å; H193-K204 PolarHBondContact N-O 3.49Å; H193-K204 PolarHBondContact O-N 2.87Å; H193-F206 HydrophobicContact CB-CE2 3.7Å; H193-E233 IonicContact CE1-OE1 3.5Å; H193-E233 PolarHBondContact CE1-OE1 3.27Å; H193-E233 WeakPolarHBondContact NE2-CG 3.12Å; H193-E233 IonicContact NE2-OE1 2.78Å; H193-E233 PolarHBondContact NE2-OE1 3.42Å; H193-F235 HydrophobicContact CB-CD1 3.88Å; H193-F235 HydrophobicContact CB-CE1 3.49Å; H193-F235 VanDerWaalsContact CB-CE1 3.49Å; H193-F235 HydrophobicContact CB-CZ 3.85Å; H193-F235 AromaticContact CD2-CE2 3.65Å; H193-F235 AromaticContact CD2-CZ 3.74Å; H193-F235 AromaticContact CE1-CE2 3.8Å; H193-F235 AromaticContact CE1-CZ 3.66Å; H193-F235 AromaticContact CG-CE1 3.64Å; H193-F235 AromaticContact CG-CE2 3.86Å; H193-F235 AromaticContact CG-CZ 3.43Å; H193-F235 VanDerWaalsContact CG-CZ 3.43Å; H193-F235 AromaticContact ND1-CE1 3.95Å; H193-F235 AromaticContact ND1-CE2 3.97Å; H193-F235 AromaticContact ND1-CZ 3.4Å; H193-F235 WeakPolarHBondContact ND1-CZ 3.4Å; H193-F235 AromaticContact NE2-CE2 3.62Å; H193-F235 AromaticContact NE2-CZ 3.87Å; H193-M479 HydrophobicContact CB-CE 4.32Å; H193-M479 WeakPolarHBondContact ND1-CE 3.16Å
194	Y	98.9	Very high	95.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.6	-179.8	-73.5	-86.4	0	0	0	111.4	C192 V201 Y202 V203 M216 D217 L220 E233 F234 V236	C192-Y194 HydrophobicContact CB-CD2 3.85Å; C192-Y194 HydrophobicContact CB-CE2 3.28Å; Y194-V201 HydrophobicContact CD1-CG1 3.98Å; Y194-V201 HydrophobicContact CE1-CG1 4.32Å; Y194-Y202 CarbonylContact C-O 3.55Å; Y194-Y202 VanDerWaalsContact CA-O 3.29Å; Y194-Y202 WeakPolarHBondContact CA-O 3.42Å; Y194-V203 HydrophobicContact CD1-CB 3.63Å; Y194-V203 HydrophobicContact CD1-CG2 3.76Å; Y194-V203 HydrophobicContact CD2-CG2 4.22Å; Y194-V203 HydrophobicContact CE1-CB 3.56Å; Y194-V203 HydrophobicContact CE1-CG1 4.24Å; Y194-V203 HydrophobicContact CE1-CG2 3.5Å; Y194-V203 VanDerWaalsContact CE1-CG2 3.5Å; Y194-V203 HydrophobicContact CE2-CG2 3.99Å; Y194-V203 HydrophobicContact CG-CB 4.33Å; Y194-V203 HydrophobicContact CG-CG2 4.11Å; Y194-M216 HydrophobicContact CD2-CG 4.43Å; Y194-M216 HydrophobicContact CE2-CB 4.29Å; Y194-M216 HydrophobicContact CE2-CG 3.69Å; Y194-D217 WeakPolarHBondContact CE1-OD1 3.34Å; Y194-D217 VanDerWaalsContact CZ-OD1 3.27Å; Y194-D217 PolarHBondContact OH-OD1 2.99Å; Y194-L220 HydrophobicContact CD1-CD1 3.58Å; Y194-L220 HydrophobicContact CE1-CD1 3.72Å; Y194-L220 HydrophobicContact CG-CD1 4.11Å; Y194-E233 CarbonylContact O-C 3.57Å; Y194-E233 WeakPolarHBondContact O-CA 3.45Å; Y194-F234 VanDerWaalsContact CB-CZ 3.44Å; Y194-F234 AromaticContact CD2-CE2 3.91Å; Y194-F234 HydrophobicContact CD2-CE2 3.91Å; Y194-F234 HydrophobicContact CD2-CZ 4.33Å; Y194-F234 HydrophobicContact CG-CE2 4.01Å; Y194-F234 AromaticContact CG-CZ 3.96Å; Y194-F234 HydrophobicContact CG-CZ 3.96Å; Y194-F234 PolarHBondContact N-O 2.98Å; Y194-F234 PolarHBondContact O-N 3.24Å; Y194-V236 HydrophobicContact CD2-CB 4.27Å; Y194-V236 HydrophobicContact CD2-CG2 3.76Å; Y194-V236 HydrophobicContact CE2-CB 4.13Å; Y194-V236 HydrophobicContact CE2-CG2 3.94Å
195	T	98.9	Very high	95.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.7	161.5	-61.7	0	0	0	0	108.4	K197 Y202 V232 P473 K474 M479	T195-K197 HydrophobicContact CG2-CB 4.07Å; T195-Y202 PolarHBondContact N-O 3.36Å; T195-Y202 PolarHBondContact O-N 3.08Å; T195-V232 WeakPolarHBondContact CA-O 3.47Å; T195-P473 HydrophobicContact CG2-CB 4.29Å; T195-K474 WeakPolarHBondContact CG2-O 3.2Å; T195-K474 PolarHBondContact OG1-O 2.88Å; T195-M479 VanDerWaalsContact OG1-CE 3.32Å; T195-M479 WeakPolarHBondContact OG1-CE 3.26Å; T195-M479 PolarHBondContact OG1-SD 2.56Å; T195-M479 VanDerWaalsContact OG1-SD 3.42Å
196	I	98.8	Very high	95.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.2	162.6	-55.9	173.2	0	0	0	106.2	K200 L220 L229 D231 V232 F234	I196-K200 CarbonylContact C-O 3.51Å; I196-K200 VanDerWaalsContact CA-O 3.29Å; I196-K200 WeakPolarHBondContact CA-O 3.3Å; I196-L220 HydrophobicContact CD1-CD2 3.9Å; I196-L229 HydrophobicContact CD1-CB 4.49Å; I196-L229 HydrophobicContact CD1-CD1 3.64Å; I196-L229 HydrophobicContact CG2-CB 4.06Å; I196-D231 CarbonylContact O-C 3.48Å; I196-D231 VanDerWaalsContact O-CA 3.24Å; I196-D231 WeakPolarHBondContact O-CA 3.43Å; I196-V232 HydrophobicContact CB-CG1 3.97Å; I196-V232 HydrophobicContact CD1-CG1 3.86Å; I196-V232 HydrophobicContact CG1-CG1 4.16Å; I196-V232 PolarHBondContact N-O 2.79Å; I196-V232 PolarHBondContact O-N 2.9Å; I196-F234 HydrophobicContact CD1-CE1 4Å; I196-F234 HydrophobicContact CD1-CZ 4.47Å; I196-F234 HydrophobicContact CG1-CE1 4.14Å
197	K	98.5	Very high	95.8	Very high	30 Å²	30	47.6 Å²	47.6	13%	0.13	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	124.3	180	-173.5	68.7	-178	174.1	0	108.8	T195 N199 K200 Y202 D231 E472 P473 V475	T195-K197 HydrophobicContact CG2-CB 4.07Å; K197-N199 PolarHBondContact O-N 2.88Å; K197-K200 PolarHBondContact N-O 2.8Å; K197-K200 WeakPolarHBondContact O-CB 3.4Å; K197-K200 PolarHBondContact O-N 2.98Å; K197-Y202 HydrophobicContact CB-CD2 4.45Å; K197-Y202 HydrophobicContact CB-CE2 4.2Å; K197-D231 WeakPolarHBondContact CA-OD1 3.26Å; K197-D231 HydrophobicContact CD-CB 4.4Å; K197-D231 VanDerWaalsContact CD-OD2 3.31Å; K197-D231 WeakPolarHBondContact CD-OD2 3.47Å; K197-D231 WeakPolarHBondContact CE-OD2 3.28Å; K197-D231 IonicContact NZ-OD2 2.82Å; K197-D231 PolarHBondContact NZ-OD2 3.49Å; K197-E472 IonicContact NZ-OE1 3.24Å; K197-E472 PolarHBondContact NZ-OE1 3.14Å; K197-P473 PolarHBondContact NZ-O 2.94Å; K197-V475 HydrophobicContact CB-CG2 4.03Å; K197-V475 HydrophobicContact CG-CG2 4.33Å
198	E	97.4	Very high	95.8	Very high	121 Å²	121	47.7 Å²	47.7	57%	0.565	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	41.6	-178.2	-61.4	175.4	-177.9	0	0	112.4	K200 D231	E198-K200 PolarHBondContact O-N 2.99Å; E198-D231 PolarHBondContact N-OD1 2.78Å
199	N	97.9	Very high	95.9	Very high	24 Å²	24	44 Å²	44	13%	0.128	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	13.5	-176.6	-156.1	54.3	0	0	0	115.5	K197 T224 V227 R228 L229	K197-N199 PolarHBondContact O-N 2.88Å; N199-T224 PolarHBondContact ND2-O 3.04Å; N199-T224 WeakPolarHBondContact O-CG2 3.37Å; N199-V227 PolarHBondContact OD1-O 2.82Å; N199-R228 HydrophobicContact CB-CG 4.1Å; N199-R228 WeakPolarHBondContact OD1-CA 3.41Å; N199-L229 PolarHBondContact OD1-N 3.08Å
200	K	98.6	Very high	96	Very high	96 Å²	96	42.2 Å²	42.2	42%	0.417	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	143.9	173.2	-68.1	175.6	-173	168.3	0	110.3	I196 K197 E198 Y202 F481	I196-K200 CarbonylContact C-O 3.51Å; I196-K200 VanDerWaalsContact CA-O 3.29Å; I196-K200 WeakPolarHBondContact CA-O 3.3Å; K197-K200 PolarHBondContact N-O 2.8Å; K197-K200 WeakPolarHBondContact O-CB 3.4Å; K197-K200 PolarHBondContact O-N 2.98Å; E198-K200 PolarHBondContact O-N 2.99Å; K200-Y202 HydrophobicContact CB-CD2 4.44Å; K200-Y202 HydrophobicContact CB-CE2 3.57Å; K200-F481 HydrophobicContact CB-CD2 4.46Å; K200-F481 HydrophobicContact CB-CE2 3.86Å; K200-F481 HydrophobicContact CD-CE2 4.25Å; K200-F481 HydrophobicContact CG-CE2 4.08Å
201	V	98.8	Very high	95.9	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.6	-176.4	-176.1	0	0	0	0	109.4	Y194 L220 L221 T224 F481 V482	Y194-V201 HydrophobicContact CD1-CG1 3.98Å; Y194-V201 HydrophobicContact CE1-CG1 4.32Å; V201-L220 HydrophobicContact CG1-CB 4.32Å; V201-L220 HydrophobicContact CG1-CD1 3.86Å; V201-L220 HydrophobicContact CG2-CB 4.05Å; V201-L221 HydrophobicContact CG2-CD2 4.37Å; V201-T224 HydrophobicContact CG2-CG2 4.01Å; V201-F481 WeakPolarHBondContact O-CD2 3.48Å; V201-V482 HydrophobicContact CB-CB 4.15Å; V201-V482 HydrophobicContact CB-CG2 4.42Å; V201-V482 HydrophobicContact CG1-CB 4.12Å; V201-V482 HydrophobicContact CG1-CG2 3.93Å; V201-V482 PolarHBondContact O-N 2.68Å
202	Y	98.9	Very high	95.7	Very high	45 Å²	45	48 Å²	48	18%	0.176	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.1	176	-58.2	-92.5	0	0	0	109.6	Y194 T195 K197 K200 V475 E480 F481	Y194-Y202 CarbonylContact C-O 3.55Å; Y194-Y202 VanDerWaalsContact CA-O 3.29Å; Y194-Y202 WeakPolarHBondContact CA-O 3.42Å; T195-Y202 PolarHBondContact N-O 3.36Å; T195-Y202 PolarHBondContact O-N 3.08Å; K197-Y202 HydrophobicContact CB-CD2 4.45Å; K197-Y202 HydrophobicContact CB-CE2 4.2Å; K200-Y202 HydrophobicContact CB-CD2 4.44Å; K200-Y202 HydrophobicContact CB-CE2 3.57Å; Y202-V475 HydrophobicContact CD1-CG1 3.68Å; Y202-V475 HydrophobicContact CD1-CG2 4.16Å; Y202-V475 HydrophobicContact CD2-CG1 4.47Å; Y202-V475 HydrophobicContact CD2-CG2 3.57Å; Y202-V475 HydrophobicContact CE1-CG1 4.1Å; Y202-V475 HydrophobicContact CE1-CG2 4.2Å; Y202-V475 HydrophobicContact CE2-CG2 3.61Å; Y202-V475 HydrophobicContact CG-CG1 3.89Å; Y202-V475 HydrophobicContact CG-CG2 3.85Å; Y202-E480 CarbonylContact C-O 3.58Å; Y202-E480 WeakPolarHBondContact CA-O 3.27Å; Y202-F481 HydrophobicContact CD1-CB 4.06Å; Y202-F481 HydrophobicContact CD1-CD2 4.2Å; Y202-F481 HydrophobicContact CE1-CB 3.94Å; Y202-F481 AromaticContact CE1-CD2 3.78Å; Y202-F481 HydrophobicContact CE1-CD2 3.78Å; Y202-F481 HydrophobicContact CE1-CG 4.25Å
203	V	98.6	Very high	95.6	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	144.1	-177.7	62.3	0	0	0	0	113.4	C192 H193 Y194 M479 E480 V482	C192-V203 HydrophobicContact CB-CG2 3.97Å; H193-V203 CarbonylContact O-C 3.56Å; H193-V203 VanDerWaalsContact O-CA 3.24Å; H193-V203 WeakPolarHBondContact O-CA 3.26Å; Y194-V203 HydrophobicContact CD1-CB 3.63Å; Y194-V203 HydrophobicContact CD1-CG2 3.76Å; Y194-V203 HydrophobicContact CD2-CG2 4.22Å; Y194-V203 HydrophobicContact CE1-CB 3.56Å; Y194-V203 HydrophobicContact CE1-CG1 4.24Å; Y194-V203 HydrophobicContact CE1-CG2 3.5Å; Y194-V203 VanDerWaalsContact CE1-CG2 3.5Å; Y194-V203 HydrophobicContact CE2-CG2 3.99Å; Y194-V203 HydrophobicContact CG-CB 4.33Å; Y194-V203 HydrophobicContact CG-CG2 4.11Å; V203-M479 CarbonylContact O-C 3.55Å; V203-M479 WeakPolarHBondContact O-CA 3.24Å; V203-E480 PolarHBondContact N-O 2.95Å; V203-E480 PolarHBondContact O-N 2.93Å; V203-V482 HydrophobicContact CB-CG2 4.29Å; V203-V482 HydrophobicContact CG1-CG2 3.48Å; V203-V482 VanDerWaalsContact CG1-CG2 3.48Å
204	K	98.1	Very high	95.5	Very high	73 Å²	73	54.8 Å²	54.8	32%	0.317	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131	167.2	-175.4	171.2	-170.8	169	0	109.6	H193 F206 E477 M479	H193-K204 HydrophobicContact CB-CB 4.47Å; H193-K204 PolarHBondContact N-O 3.49Å; H193-K204 PolarHBondContact O-N 2.87Å; K204-F206 HydrophobicContact CB-CE2 4.35Å; K204-F206 HydrophobicContact CD-CE1 4.46Å; K204-F206 HydrophobicContact CD-CE2 4.46Å; K204-F206 HydrophobicContact CD-CZ 3.87Å; K204-F206 HydrophobicContact CG-CE2 4.08Å; K204-F206 HydrophobicContact CG-CZ 3.93Å; K204-E477 PolarHBondContact NZ-O 3.25Å; K204-M479 HydrophobicContact CB-CG 3.85Å
205	T	97.3	Very high	95.4	Very high	48 Å²	48	56.1 Å²	56.1	29%	0.294	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	151.7	-178.4	54.7	0	0	0	0	111.4	L191 V210	L191-T205 CarbonylContact O-C 3.58Å; T205-V210 HydrophobicContact CG2-CB 4.04Å; T205-V210 HydrophobicContact CG2-CG1 4.49Å; T205-V210 HydrophobicContact CG2-CG2 3.97Å
206	F	96.4	Very high	95.3	Very high	41 Å²	41	56.1 Å²	56.1	18%	0.18	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	139.2	175.3	-54.9	-93.2	0	0	0	109.5	P182 G186 L191 H193 K204 V210 F235	P182-F206 HydrophobicContact CB-CD1 3.92Å; P182-F206 HydrophobicContact CB-CE1 3.62Å; P182-F206 HydrophobicContact CB-CZ 4.01Å; P182-F206 HydrophobicContact CG-CD1 4.44Å; P182-F206 HydrophobicContact CG-CE1 3.83Å; P182-F206 HydrophobicContact CG-CE2 4.16Å; P182-F206 HydrophobicContact CG-CZ 3.67Å; G186-F206 CarbonylContact O-C 3.58Å; G186-F206 WeakPolarHBondContact O-CB 3.14Å; L191-F206 HydrophobicContact CB-CB 4.28Å; L191-F206 HydrophobicContact CD2-CD2 4.24Å; L191-F206 PolarHBondContact N-O 3.44Å; L191-F206 PolarHBondContact O-N 3.05Å; H193-F206 HydrophobicContact CB-CE2 3.7Å; K204-F206 HydrophobicContact CB-CE2 4.35Å; K204-F206 HydrophobicContact CD-CE1 4.46Å; K204-F206 HydrophobicContact CD-CE2 4.46Å; K204-F206 HydrophobicContact CD-CZ 3.87Å; K204-F206 HydrophobicContact CG-CE2 4.08Å; K204-F206 HydrophobicContact CG-CZ 3.93Å; F206-V210 VanDerWaalsContact O-CG1 3.26Å; F206-V210 WeakPolarHBondContact O-CG1 3.46Å; F206-F235 HydrophobicContact CE2-CE1 4.2Å
207	G	91.5	Very high	95.3	Very high	33 Å²	33	57 Å²	57	34%	0.34	29%	0.289	S	S	.	.	S	Bend	trans	90.1	177.4	-176	0	0	0	0	0	113.9	G186	G186-G207 PolarHBondContact O-N 3.06Å
208	E	83.3	Confident	95.3	Very high	177 Å²	177	57.4 Å²	57.4	83%	0.827	30%	0.298	S	S	*	.	S	Bend	trans	-90.5	-25.3	-170.9	-63.2	-177.3	168.4	0	0	114
209	H	86.2	Confident	95.3	Very high	145 Å²	145	51.7 Å²	51.7	67%	0.671	27%	0.272	S	S	*	.			trans	-113.2	61.2	-171.9	-60.5	-44.6	0	0	0	112.7	S190	S190-H209 WeakPolarHBondContact CB-O 3.48Å; S190-H209 VanDerWaalsContact OG-C 3.28Å; S190-H209 WeakPolarHBondContact OG-CB 3.44Å; S190-H209 PolarHBondContact OG-O 3.23Å
210	V	89.9	Confident	95.4	Very high	28 Å²	28	50.6 Å²	50.6	17%	0.17	27%	0.266	C	S	.	.			trans	-97.1	4.2	-172.3	-61.6	0	0	0	0	114.4	T205 F206 F212 R213 L238	T205-V210 HydrophobicContact CG2-CB 4.04Å; T205-V210 HydrophobicContact CG2-CG1 4.49Å; T205-V210 HydrophobicContact CG2-CG2 3.97Å; F206-V210 VanDerWaalsContact O-CG1 3.26Å; F206-V210 WeakPolarHBondContact O-CG1 3.46Å; V210-F212 PolarHBondContact O-N 3.31Å; V210-F212 VanDerWaalsContact O-N 3.13Å; V210-R213 WeakPolarHBondContact O-CB 3.41Å; V210-R213 WeakPolarHBondContact O-CG 3.48Å; V210-R213 PolarHBondContact O-N 3.38Å; V210-L238 HydrophobicContact CB-CD1 4.22Å; V210-L238 WeakPolarHBondContact O-CD1 3.15Å
211	G	91.9	Very high	95.4	Very high	52 Å²	52	46.7 Å²	46.7	54%	0.536	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.5	-177.8	0	0	0	0	0	114.5	R213 I214	G211-R213 PolarHBondContact O-N 2.89Å; G211-R213 VanDerWaalsContact O-N 3.1Å; G211-I214 WeakPolarHBondContact O-CG1 3.35Å; G211-I214 WeakPolarHBondContact O-CG2 3.48Å; G211-I214 PolarHBondContact O-N 3.08Å
212	F	92.8	Very high	95.4	Very high	90 Å²	90	46.6 Å²	46.6	40%	0.395	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.9	175.4	-88	-119.3	0	0	0	113.5	V210 I214 F215 L238 Y272	V210-F212 PolarHBondContact O-N 3.31Å; V210-F212 VanDerWaalsContact O-N 3.13Å; F212-I214 PolarHBondContact O-N 3.35Å; F212-I214 VanDerWaalsContact O-N 3.11Å; F212-F215 HydrophobicContact CB-CD2 4.37Å; F212-F215 AromaticContact CD1-CD2 3.94Å; F212-F215 HydrophobicContact CD1-CD2 3.94Å; F212-F215 AromaticContact CD1-CE2 3.68Å; F212-F215 HydrophobicContact CD1-CE2 3.68Å; F212-F215 AromaticContact CE1-CE2 3.95Å; F212-F215 HydrophobicContact CE1-CE2 3.95Å; F212-F215 HydrophobicContact CG-CD2 4.34Å; F212-F215 HydrophobicContact CG-CE2 4.14Å; F212-F215 WeakPolarHBondContact O-CD2 3.43Å; F212-F215 PolarHBondContact O-N 3.37Å; F212-L238 HydrophobicContact CB-CB 4.18Å; F212-L238 HydrophobicContact CB-CD1 4.47Å; F212-Y272 HydrophobicContact CD1-CD1 4.21Å; F212-Y272 HydrophobicContact CD1-CE1 4.12Å; F212-Y272 HydrophobicContact CE1-CD1 4.34Å; F212-Y272 AromaticContact CE1-CE1 3.84Å; F212-Y272 HydrophobicContact CE1-CE1 3.84Å; F212-Y272 HydrophobicContact CE1-CE2 4.19Å; F212-Y272 AromaticContact CE1-CZ 3.8Å
213	R	95.8	Very high	95.3	Very high	41 Å²	41	44.5 Å²	44.5	16%	0.155	24%	0.241	C	C	.	.	H	α-helix	trans	-55.8	-25.7	172.1	70.5	177.3	-84.3	-156.2	-17.8	113.2	V210 G211 F215 M216 D217 L238 E480	V210-R213 WeakPolarHBondContact O-CB 3.41Å; V210-R213 WeakPolarHBondContact O-CG 3.48Å; V210-R213 PolarHBondContact O-N 3.38Å; G211-R213 PolarHBondContact O-N 2.89Å; G211-R213 VanDerWaalsContact O-N 3.1Å; R213-F215 PolarHBondContact O-N 3.02Å; R213-F215 VanDerWaalsContact O-N 3.08Å; R213-M216 PolarHBondContact O-N 2.95Å; R213-D217 IonicContact CZ-OD2 3.15Å; R213-D217 IonicContact NE-OD1 2.66Å; R213-D217 IonicContact NE-OD2 2.74Å; R213-D217 PolarHBondContact NE-OD2 3.34Å; R213-D217 IonicContact NH2-OD2 2.68Å; R213-D217 PolarHBondContact NH2-OD2 2.94Å; R213-D217 WeakPolarHBondContact O-CB 3.41Å; R213-D217 VanDerWaalsContact O-CG 3.31Å; R213-D217 PolarHBondContact O-N 3.22Å; R213-L238 HydrophobicContact CB-CD1 4.05Å; R213-E480 IonicContact NH1-OE2 3.06Å; R213-E480 PolarHBondContact NH1-OE2 3.49Å
214	I	96.7	Very high	95.3	Very high	105 Å²	105	44.5 Å²	44.5	54%	0.538	24%	0.241	S	C	.	.	H	α-helix	trans	-52.3	-34.4	178.7	62.4	174.1	0	0	0	112.6	G211 F212 A218	G211-I214 WeakPolarHBondContact O-CG1 3.35Å; G211-I214 WeakPolarHBondContact O-CG2 3.48Å; G211-I214 PolarHBondContact O-N 3.08Å; F212-I214 PolarHBondContact O-N 3.35Å; F212-I214 VanDerWaalsContact O-N 3.11Å; I214-A218 VanDerWaalsContact O-CB 3.25Å; I214-A218 WeakPolarHBondContact O-CB 3.49Å; I214-A218 PolarHBondContact O-N 3.05Å
215	F	96.8	Very high	95.3	Very high	28 Å²	28	42.2 Å²	42.2	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-73	-39	-179.8	-60.3	-62.8	0	0	0	112.1	F212 R213 I219 W258 Y272 E276	F212-F215 HydrophobicContact CB-CD2 4.37Å; F212-F215 AromaticContact CD1-CD2 3.94Å; F212-F215 HydrophobicContact CD1-CD2 3.94Å; F212-F215 AromaticContact CD1-CE2 3.68Å; F212-F215 HydrophobicContact CD1-CE2 3.68Å; F212-F215 AromaticContact CE1-CE2 3.95Å; F212-F215 HydrophobicContact CE1-CE2 3.95Å; F212-F215 HydrophobicContact CG-CD2 4.34Å; F212-F215 HydrophobicContact CG-CE2 4.14Å; F212-F215 WeakPolarHBondContact O-CD2 3.43Å; F212-F215 PolarHBondContact O-N 3.37Å; R213-F215 PolarHBondContact O-N 3.02Å; R213-F215 VanDerWaalsContact O-N 3.08Å; F215-I219 PolarHBondContact O-N 3.35Å; F215-W258 HydrophobicContact CB-CH2 4.47Å; F215-Y272 HydrophobicContact CD2-CD2 4.06Å; F215-Y272 AromaticContact CD2-CG 3.96Å; F215-Y272 HydrophobicContact CD2-CG 3.96Å; F215-Y272 AromaticContact CE2-CD2 3.9Å; F215-Y272 HydrophobicContact CE2-CD2 3.9Å; F215-Y272 HydrophobicContact CE2-CG 4.23Å; F215-Y272 HydrophobicContact CG-CD2 4.43Å; F215-Y272 HydrophobicContact CG-CG 4.32Å; F215-Y272 HydrophobicContact CZ-CD2 4.13Å; F215-E276 HydrophobicContact CD1-CB 4.27Å; F215-E276 HydrophobicContact CE1-CB 4.34Å; F215-E276 VanDerWaalsContact CE1-CD 3.47Å; F215-E276 HydrophobicContact CE1-CG 4.29Å; F215-E276 WeakPolarHBondContact CE1-OE2 3.44Å
216	M	98.1	Very high	95.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-72.2	-44.3	176.8	-169.6	67.4	-156.1	0	0	111	Y194 R213 A218 I219 L220 F234 V236 W258 M269 F462	Y194-M216 HydrophobicContact CD2-CG 4.43Å; Y194-M216 HydrophobicContact CE2-CB 4.29Å; Y194-M216 HydrophobicContact CE2-CG 3.69Å; R213-M216 PolarHBondContact O-N 2.95Å; M216-A218 VanDerWaalsContact C-N 3.29Å; M216-A218 PolarHBondContact O-N 3Å; M216-I219 HydrophobicContact CE-CG2 4.46Å; M216-I219 VanDerWaalsContact O-CG2 3.26Å; M216-I219 WeakPolarHBondContact O-CG2 3.48Å; M216-I219 PolarHBondContact O-N 2.89Å; M216-I219 HydrophobicContact SD-CG2 4.27Å; M216-L220 HydrophobicContact CE-CD1 3.87Å; M216-L220 HydrophobicContact CE-CD2 3.72Å; M216-L220 HydrophobicContact CE-CG 3.68Å; M216-L220 HydrophobicContact CG-CD1 4.1Å; M216-L220 HydrophobicContact CG-CG 4.46Å; M216-L220 VanDerWaalsContact O-CG 3.3Å; M216-L220 WeakPolarHBondContact O-CG 3.06Å; M216-L220 PolarHBondContact O-N 2.95Å; M216-L220 VanDerWaalsContact O-N 3.08Å; M216-F234 HydrophobicContact CE-CE2 3.83Å; M216-F234 HydrophobicContact CE-CZ 4.16Å; M216-V236 HydrophobicContact CE-CG2 4.36Å; M216-V236 HydrophobicContact CG-CG1 4.42Å; M216-V236 HydrophobicContact CG-CG2 4.21Å; M216-V236 HydrophobicContact SD-CG1 4.43Å; M216-V236 HydrophobicContact SD-CG2 4.23Å; M216-W258 HydrophobicContact CB-CH2 4.36Å; M216-W258 HydrophobicContact SD-CH2 4.17Å; M216-M269 HydrophobicContact SD-CE 4.31Å; M216-M269 HydrophobicContact SD-SD 3.94Å; M216-F462 HydrophobicContact CE-CE1 4.21Å; M216-F462 HydrophobicContact CE-CZ 3.56Å
217	D	98.5	Very high	95.3	Very high	17 Å²	17	38.2 Å²	38.2	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-55.8	-46.6	175.4	-68.2	-1.7	0	0	0	109.8	Y194 R213 I219 L220 L221 V482	Y194-D217 WeakPolarHBondContact CE1-OD1 3.34Å; Y194-D217 VanDerWaalsContact CZ-OD1 3.27Å; Y194-D217 PolarHBondContact OH-OD1 2.99Å; R213-D217 IonicContact CZ-OD2 3.15Å; R213-D217 IonicContact NE-OD1 2.66Å; R213-D217 IonicContact NE-OD2 2.74Å; R213-D217 PolarHBondContact NE-OD2 3.34Å; R213-D217 IonicContact NH2-OD2 2.68Å; R213-D217 PolarHBondContact NH2-OD2 2.94Å; R213-D217 WeakPolarHBondContact O-CB 3.41Å; R213-D217 VanDerWaalsContact O-CG 3.31Å; R213-D217 PolarHBondContact O-N 3.22Å; D217-I219 PolarHBondContact O-N 3.1Å; D217-L220 PolarHBondContact O-N 3.23Å; D217-L221 WeakPolarHBondContact O-CB 3.42Å; D217-L221 WeakPolarHBondContact O-CG 3.02Å; D217-L221 PolarHBondContact O-N 2.85Å; D217-V482 HydrophobicContact CB-CG1 4.08Å
218	A	98	Very high	95.6	Very high	40 Å²	40	43.2 Å²	43.2	33%	0.331	22%	0.217	S	C	.	.	H	α-helix	trans	-60.1	-45	-178.1	0	0	0	0	0	113.7	I214 M216 S222 L279	I214-A218 VanDerWaalsContact O-CB 3.25Å; I214-A218 WeakPolarHBondContact O-CB 3.49Å; I214-A218 PolarHBondContact O-N 3.05Å; M216-A218 VanDerWaalsContact C-N 3.29Å; M216-A218 PolarHBondContact O-N 3Å; A218-S222 WeakPolarHBondContact O-CB 3.31Å; A218-S222 PolarHBondContact O-N 3.23Å; A218-L279 HydrophobicContact CB-CD1 3.76Å
219	I	98.5	Very high	96.3	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-72.5	-37.1	179.4	-172.8	59	0	0	0	112.3	F215 M216 D217 S222 L223 T275 L279 F455 Y458	F215-I219 PolarHBondContact O-N 3.35Å; M216-I219 HydrophobicContact CE-CG2 4.46Å; M216-I219 VanDerWaalsContact O-CG2 3.26Å; M216-I219 WeakPolarHBondContact O-CG2 3.48Å; M216-I219 PolarHBondContact O-N 2.89Å; M216-I219 HydrophobicContact SD-CG2 4.27Å; D217-I219 PolarHBondContact O-N 3.1Å; I219-S222 PolarHBondContact O-N 3.2Å; I219-L223 HydrophobicContact CD1-CD1 4.46Å; I219-L223 HydrophobicContact CD1-CG 4.48Å; I219-L223 HydrophobicContact CG1-CD1 4.1Å; I219-L223 WeakPolarHBondContact O-CB 3.39Å; I219-L223 WeakPolarHBondContact O-CG 3.4Å; I219-L223 PolarHBondContact O-N 2.74Å; I219-T275 HydrophobicContact CB-CG2 3.7Å; I219-T275 HydrophobicContact CD1-CG2 4.24Å; I219-T275 HydrophobicContact CG1-CG2 4Å; I219-T275 HydrophobicContact CG2-CG2 4.17Å; I219-L279 HydrophobicContact CB-CD1 4.17Å; I219-L279 HydrophobicContact CD1-CD1 4.5Å; I219-L279 HydrophobicContact CD1-CD2 4.1Å; I219-F455 HydrophobicContact CD1-CD1 4.16Å; I219-F455 HydrophobicContact CD1-CE1 3.72Å; I219-F455 HydrophobicContact CD1-CZ 4.03Å; I219-Y458 HydrophobicContact CD1-CD2 4.12Å; I219-Y458 HydrophobicContact CD1-CE2 4.34Å; I219-Y458 HydrophobicContact CG1-CD1 4.43Å; I219-Y458 HydrophobicContact CG1-CD2 3.65Å; I219-Y458 HydrophobicContact CG1-CE1 4.48Å; I219-Y458 HydrophobicContact CG1-CE2 3.71Å; I219-Y458 HydrophobicContact CG1-CG 4.03Å; I219-Y458 HydrophobicContact CG2-CE1 4.23Å
220	L	98.8	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-49.5	176.1	-71.4	177.6	0	0	0	111.2	Y194 I196 V201 M216 D217 S222 L223 T224 F234 F462	Y194-L220 HydrophobicContact CD1-CD1 3.58Å; Y194-L220 HydrophobicContact CE1-CD1 3.72Å; Y194-L220 HydrophobicContact CG-CD1 4.11Å; I196-L220 HydrophobicContact CD1-CD2 3.9Å; V201-L220 HydrophobicContact CG1-CB 4.32Å; V201-L220 HydrophobicContact CG1-CD1 3.86Å; V201-L220 HydrophobicContact CG2-CB 4.05Å; M216-L220 HydrophobicContact CE-CD1 3.87Å; M216-L220 HydrophobicContact CE-CD2 3.72Å; M216-L220 HydrophobicContact CE-CG 3.68Å; M216-L220 HydrophobicContact CG-CD1 4.1Å; M216-L220 HydrophobicContact CG-CG 4.46Å; M216-L220 VanDerWaalsContact O-CG 3.3Å; M216-L220 WeakPolarHBondContact O-CG 3.06Å; M216-L220 PolarHBondContact O-N 2.95Å; M216-L220 VanDerWaalsContact O-N 3.08Å; D217-L220 PolarHBondContact O-N 3.23Å; L220-S222 VanDerWaalsContact C-N 3.29Å; L220-S222 PolarHBondContact O-N 3.24Å; L220-L223 PolarHBondContact O-N 3.36Å; L220-T224 WeakPolarHBondContact O-CG2 3.39Å; L220-T224 PolarHBondContact O-N 3.09Å; L220-T224 PolarHBondContact O-OG1 3.08Å; L220-F234 HydrophobicContact CD1-CZ 4.05Å; L220-F234 HydrophobicContact CD2-CZ 4.1Å; L220-F462 HydrophobicContact CD2-CE1 4.29Å; L220-F462 HydrophobicContact CD2-CE2 3.68Å; L220-F462 HydrophobicContact CD2-CZ 3.53Å
221	L	98.6	Very high	97.3	Very high	15 Å²	15	31.2 Å²	31.2	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-39.2	176.6	-66.9	175.1	0	0	0	111.6	V201 D217 T224 R225 V482 E483 Q484	V201-L221 HydrophobicContact CG2-CD2 4.37Å; D217-L221 WeakPolarHBondContact O-CB 3.42Å; D217-L221 WeakPolarHBondContact O-CG 3.02Å; D217-L221 PolarHBondContact O-N 2.85Å; L221-T224 WeakPolarHBondContact CA-OG1 3.04Å; L221-T224 PolarHBondContact O-OG1 3.15Å; L221-T224 VanDerWaalsContact O-OG1 3.1Å; L221-R225 WeakPolarHBondContact O-CG 3.36Å; L221-R225 PolarHBondContact O-N 3.4Å; L221-R225 PolarHBondContact O-NH1 2.86Å; L221-V482 HydrophobicContact CD1-CG1 3.88Å; L221-V482 HydrophobicContact CD2-CB 4.46Å; L221-V482 HydrophobicContact CD2-CG1 4.11Å; L221-V482 HydrophobicContact CG-CG1 4.18Å; L221-E483 WeakPolarHBondContact CD1-O 3.05Å; L221-Q484 HydrophobicContact CD2-CG 4.4Å; L221-Q484 PolarHBondContact O-NE2 3.45Å
222	S	98.3	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-39.1	176.3	-173.4	0	0	0	0	112.8	E137 A218 I219 L220 K226 L279 F455	E137-S222 PolarHBondContact OE1-OG 3.22Å; A218-S222 WeakPolarHBondContact O-CB 3.31Å; A218-S222 PolarHBondContact O-N 3.23Å; I219-S222 PolarHBondContact O-N 3.2Å; L220-S222 VanDerWaalsContact C-N 3.29Å; L220-S222 PolarHBondContact O-N 3.24Å; S222-K226 WeakPolarHBondContact O-CD 3.32Å; S222-K226 WeakPolarHBondContact O-CG 3.34Å; S222-K226 PolarHBondContact O-NZ 2.87Å; S222-K226 PolarHBondContact OG-NZ 3.08Å; S222-L279 WeakPolarHBondContact OG-CD2 3.19Å; S222-F455 WeakPolarHBondContact OG-CE1 3.46Å; S222-F455 VanDerWaalsContact OG-CZ 3.28Å; S222-F455 WeakPolarHBondContact OG-CZ 3.45Å
223	L	98.4	Very high	97.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-68.2	-47.3	174.9	-81.1	160.7	0	0	0	112.1	W149 I219 L220 R225 K226 V227 L229 F455 Y458 F462	W149-L223 HydrophobicContact CH2-CD2 4.4Å; I219-L223 HydrophobicContact CD1-CD1 4.46Å; I219-L223 HydrophobicContact CD1-CG 4.48Å; I219-L223 HydrophobicContact CG1-CD1 4.1Å; I219-L223 WeakPolarHBondContact O-CB 3.39Å; I219-L223 WeakPolarHBondContact O-CG 3.4Å; I219-L223 PolarHBondContact O-N 2.74Å; L220-L223 PolarHBondContact O-N 3.36Å; L223-R225 PolarHBondContact O-N 3.42Å; L223-K226 WeakPolarHBondContact O-CA 3.42Å; L223-K226 PolarHBondContact O-N 3.2Å; L223-V227 HydrophobicContact CD2-CG1 4.43Å; L223-V227 PolarHBondContact O-N 2.99Å; L223-L229 HydrophobicContact CB-CD1 4.03Å; L223-F455 HydrophobicContact CD2-CD1 3.69Å; L223-F455 HydrophobicContact CD2-CE1 4.36Å; L223-F455 HydrophobicContact CG-CD1 4.06Å; L223-F455 HydrophobicContact CG-CE1 4.27Å; L223-Y458 HydrophobicContact CD1-CG 4.37Å; L223-F462 HydrophobicContact CD1-CD2 4.35Å; L223-F462 HydrophobicContact CD1-CE2 3.99Å
224	T	98.1	Very high	98.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-65.4	-22.8	-176.9	54.2	0	0	0	0	113.2	P142 N199 V201 L220 L221 K226 L229 Q484	P142-T224 WeakPolarHBondContact CB-O 3.24Å; N199-T224 PolarHBondContact ND2-O 3.04Å; N199-T224 WeakPolarHBondContact O-CG2 3.37Å; V201-T224 HydrophobicContact CG2-CG2 4.01Å; L220-T224 WeakPolarHBondContact O-CG2 3.39Å; L220-T224 PolarHBondContact O-N 3.09Å; L220-T224 PolarHBondContact O-OG1 3.08Å; L221-T224 WeakPolarHBondContact CA-OG1 3.04Å; L221-T224 PolarHBondContact O-OG1 3.15Å; L221-T224 VanDerWaalsContact O-OG1 3.1Å; T224-K226 VanDerWaalsContact C-N 3.35Å; T224-L229 HydrophobicContact CG2-CD1 3.75Å; T224-L229 HydrophobicContact CG2-CG 4.3Å; T224-Q484 PolarHBondContact OG1-NE2 2.66Å
225	R	96.9	Very high	98.2	Very high	25 Å²	25	17.9 Å²	17.9	9%	0.094	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-24	168.7	-72.5	-168.9	-59.1	-86.5	3	113.9	E137 D140 C141 P142 L221 L223	E137-R225 PolarHBondContact O-NE 3.18Å; E137-R225 IonicContact OE1-CZ 3.81Å; E137-R225 IonicContact OE1-NH2 2.74Å; E137-R225 PolarHBondContact OE1-NH2 3.13Å; D140-R225 HydrophobicContact CB-CG 4.12Å; C141-R225 CarbonylContact C-O 3.45Å; C141-R225 PolarHBondContact N-O 3.48Å; C141-R225 VanDerWaalsContact N-O 3.08Å; P142-R225 WeakPolarHBondContact CA-O 3.12Å; P142-R225 VanDerWaalsContact N-O 3.11Å; L221-R225 WeakPolarHBondContact O-CG 3.36Å; L221-R225 PolarHBondContact O-N 3.4Å; L221-R225 PolarHBondContact O-NH1 2.86Å; L223-R225 PolarHBondContact O-N 3.42Å
226	K	96.8	Very high	98.3	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.017	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-34.9	-171.5	-68.1	173.7	-176.2	62.3	0	113.6	V46 E137 Q143 S222 L223 T224 F455	V46-K226 HydrophobicContact CB-CD 4.37Å; V46-K226 HydrophobicContact CB-CG 4.14Å; V46-K226 HydrophobicContact CG1-CD 4.4Å; V46-K226 HydrophobicContact CG1-CG 4.07Å; V46-K226 WeakPolarHBondContact O-CD 3.49Å; V46-K226 WeakPolarHBondContact O-CE 3.22Å; E137-K226 IonicContact OE1-NZ 2.65Å; E137-K226 PolarHBondContact OE1-NZ 2.97Å; E137-K226 WeakPolarHBondContact OE2-CE 3.41Å; E137-K226 IonicContact OE2-NZ 2.7Å; E137-K226 PolarHBondContact OE2-NZ 2.04Å; Q143-K226 PolarHBondContact N-O 3.47Å; S222-K226 WeakPolarHBondContact O-CD 3.32Å; S222-K226 WeakPolarHBondContact O-CG 3.34Å; S222-K226 PolarHBondContact O-NZ 2.87Å; S222-K226 PolarHBondContact OG-NZ 3.08Å; L223-K226 WeakPolarHBondContact O-CA 3.42Å; L223-K226 PolarHBondContact O-N 3.2Å; T224-K226 VanDerWaalsContact C-N 3.35Å; K226-F455 HydrophobicContact CD-CD1 4.16Å; K226-F455 HydrophobicContact CD-CE1 3.87Å; K226-F455 HydrophobicContact CD-CZ 4.39Å
227	V	97.9	Very high	98.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-150.7	142.5	-175.2	60.7	0	0	0	0	109.8	W149 N199 L223 L229 Y459	W149-V227 HydrophobicContact CB-CB 4.1Å; W149-V227 HydrophobicContact CB-CG2 3.59Å; W149-V227 HydrophobicContact CD2-CB 3.8Å; W149-V227 HydrophobicContact CD2-CG1 3.95Å; W149-V227 HydrophobicContact CD2-CG2 3.97Å; W149-V227 HydrophobicContact CE3-CB 4.49Å; W149-V227 HydrophobicContact CE3-CG1 4.33Å; W149-V227 HydrophobicContact CE3-CG2 4.38Å; W149-V227 HydrophobicContact CG-CB 3.59Å; W149-V227 HydrophobicContact CG-CG1 4.29Å; W149-V227 HydrophobicContact CG-CG2 3.63Å; W149-V227 HydrophobicContact CZ2-CG1 4.28Å; N199-V227 PolarHBondContact OD1-O 2.82Å; L223-V227 HydrophobicContact CD2-CG1 4.43Å; L223-V227 PolarHBondContact O-N 2.99Å; V227-L229 HydrophobicContact CG1-CD2 4.24Å; V227-L229 PolarHBondContact O-N 3.07Å; V227-Y459 HydrophobicContact CB-CE2 4.41Å; V227-Y459 HydrophobicContact CG1-CD2 3.61Å; V227-Y459 HydrophobicContact CG1-CE2 3.86Å; V227-Y459 HydrophobicContact CG2-CD2 4.21Å; V227-Y459 HydrophobicContact CG2-CE2 3.63Å
228	R	97.9	Very high	98.1	Very high	139 Å²	139	16.1 Å²	16.1	53%	0.525	8%	0.081	S	C	.	.	P	Polyproline II helix	trans	-69.3	116	172.6	-165.4	174.9	-176.1	165.5	1.1	109.2	Q143 N199	Q143-R228 PolarHBondContact O-N 3.02Å; N199-R228 HydrophobicContact CB-CG 4.1Å; N199-R228 WeakPolarHBondContact OD1-CA 3.41Å
229	L	98.4	Very high	97.9	Very high	5 Å²	5	15 Å²	15	3%	0.026	7%	0.074	C	C	.	.	P	Polyproline II helix	trans	-79.9	149.9	174.8	-66.8	179.5	0	0	0	110.6	I196 N199 L223 T224 V227 Y459	I196-L229 HydrophobicContact CD1-CB 4.49Å; I196-L229 HydrophobicContact CD1-CD1 3.64Å; I196-L229 HydrophobicContact CG2-CB 4.06Å; N199-L229 PolarHBondContact OD1-N 3.08Å; L223-L229 HydrophobicContact CB-CD1 4.03Å; T224-L229 HydrophobicContact CG2-CD1 3.75Å; T224-L229 HydrophobicContact CG2-CG 4.3Å; V227-L229 HydrophobicContact CG1-CD2 4.24Å; V227-L229 PolarHBondContact O-N 3.07Å; L229-Y459 HydrophobicContact CD2-CD2 3.66Å; L229-Y459 HydrophobicContact CD2-CE2 3.96Å
230	P	98.1	Very high	97.6	Very high	38 Å²	38	17.5 Å²	17.5	25%	0.247	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-64	154.8	169.7	29.8	-35	0	0	0	110.2	V232 S466	P230-V232 PolarHBondContact O-N 3.14Å; P230-S466 WeakPolarHBondContact CG-OG 3.25Å
231	D	98.8	Very high	97.5	Very high	55 Å²	55	24.1 Å²	24.1	29%	0.294	11%	0.112	S	C	.	.	P	Polyproline II helix	trans	-60.7	129.4	166.3	-71.1	-6.1	0	0	0	108.6	I196 K197 E198 P473	I196-D231 CarbonylContact O-C 3.48Å; I196-D231 VanDerWaalsContact O-CA 3.24Å; I196-D231 WeakPolarHBondContact O-CA 3.43Å; K197-D231 WeakPolarHBondContact CA-OD1 3.26Å; K197-D231 HydrophobicContact CD-CB 4.4Å; K197-D231 VanDerWaalsContact CD-OD2 3.31Å; K197-D231 WeakPolarHBondContact CD-OD2 3.47Å; K197-D231 WeakPolarHBondContact CE-OD2 3.28Å; K197-D231 IonicContact NZ-OD2 2.82Å; K197-D231 PolarHBondContact NZ-OD2 3.49Å; E198-D231 PolarHBondContact N-OD1 2.78Å; D231-P473 HydrophobicContact CB-CB 4.33Å; D231-P473 HydrophobicContact CB-CG 4.07Å
232	V	98.8	Very high	97.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	141.5	-176	64.8	0	0	0	0	111.7	T195 I196 P230 F234 Y465	T195-V232 WeakPolarHBondContact CA-O 3.47Å; I196-V232 HydrophobicContact CB-CG1 3.97Å; I196-V232 HydrophobicContact CD1-CG1 3.86Å; I196-V232 HydrophobicContact CG1-CG1 4.16Å; I196-V232 PolarHBondContact N-O 2.79Å; I196-V232 PolarHBondContact O-N 2.9Å; P230-V232 PolarHBondContact O-N 3.14Å; V232-F234 HydrophobicContact CG1-CD1 4.1Å; V232-F234 HydrophobicContact CG1-CE1 4.08Å; V232-F234 HydrophobicContact CG2-CD1 4.27Å; V232-Y465 HydrophobicContact CG2-CD1 3.66Å; V232-Y465 HydrophobicContact CG2-CE1 4.15Å
233	E	98.6	Very high	97.3	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.019	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126	176.5	-175.4	179.1	134.4	0	0	111.8	P174 H193 Y194 Y465 Q469 P473 R476	P174-E233 HydrophobicContact CB-CB 4.18Å; P174-E233 HydrophobicContact CB-CG 4.39Å; H193-E233 IonicContact CE1-OE1 3.5Å; H193-E233 PolarHBondContact CE1-OE1 3.27Å; H193-E233 WeakPolarHBondContact NE2-CG 3.12Å; H193-E233 IonicContact NE2-OE1 2.78Å; H193-E233 PolarHBondContact NE2-OE1 3.42Å; Y194-E233 CarbonylContact O-C 3.57Å; Y194-E233 WeakPolarHBondContact O-CA 3.45Å; E233-Y465 WeakPolarHBondContact O-CE1 3.16Å; E233-Q469 PolarHBondContact O-NE2 3.08Å; E233-P473 HydrophobicContact CB-CB 4.11Å; E233-R476 VanDerWaalsContact CD-NE 3.25Å; E233-R476 VanDerWaalsContact CD-NH2 3.26Å; E233-R476 IonicContact OE1-CZ 3.35Å; E233-R476 IonicContact OE1-NE 2.77Å; E233-R476 PolarHBondContact OE1-NE 2.83Å; E233-R476 IonicContact OE1-NH2 2.91Å; E233-R476 PolarHBondContact OE1-NH2 2.58Å; E233-R476 IonicContact OE2-CZ 3.85Å; E233-R476 IonicContact OE2-NE 3.74Å; E233-R476 PolarHBondContact OE2-NE 3.47Å; E233-R476 IonicContact OE2-NH2 2.85Å; E233-R476 PolarHBondContact OE2-NH2 3.05Å
234	F	98.8	Very high	97.3	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	160.1	-172.4	59.8	-82.5	0	0	0	113.2	Y194 I196 M216 L220 V232 V236 F256 F462 Y465	Y194-F234 VanDerWaalsContact CB-CZ 3.44Å; Y194-F234 AromaticContact CD2-CE2 3.91Å; Y194-F234 HydrophobicContact CD2-CE2 3.91Å; Y194-F234 HydrophobicContact CD2-CZ 4.33Å; Y194-F234 HydrophobicContact CG-CE2 4.01Å; Y194-F234 AromaticContact CG-CZ 3.96Å; Y194-F234 HydrophobicContact CG-CZ 3.96Å; Y194-F234 PolarHBondContact N-O 2.98Å; Y194-F234 PolarHBondContact O-N 3.24Å; I196-F234 HydrophobicContact CD1-CE1 4Å; I196-F234 HydrophobicContact CD1-CZ 4.47Å; I196-F234 HydrophobicContact CG1-CE1 4.14Å; M216-F234 HydrophobicContact CE-CE2 3.83Å; M216-F234 HydrophobicContact CE-CZ 4.16Å; L220-F234 HydrophobicContact CD1-CZ 4.05Å; L220-F234 HydrophobicContact CD2-CZ 4.1Å; V232-F234 HydrophobicContact CG1-CD1 4.1Å; V232-F234 HydrophobicContact CG1-CE1 4.08Å; V232-F234 HydrophobicContact CG2-CD1 4.27Å; F234-V236 HydrophobicContact CD2-CG2 3.64Å; F234-V236 HydrophobicContact CE2-CG2 3.54Å; F234-F256 HydrophobicContact CB-CE1 4.16Å; F234-F256 HydrophobicContact CB-CZ 4.32Å; F234-F256 HydrophobicContact CD2-CD2 4.26Å; F234-F256 HydrophobicContact CD2-CE2 4.35Å; F234-F256 HydrophobicContact CD2-CG 4.48Å; F234-F462 HydrophobicContact CD1-CD1 4.45Å; F234-F462 HydrophobicContact CD1-CE1 4.35Å; F234-F462 HydrophobicContact CD2-CE1 4.28Å; F234-F462 HydrophobicContact CE1-CD1 4.12Å; F234-F462 AromaticContact CE1-CE1 3.84Å; F234-F462 HydrophobicContact CE1-CE1 3.84Å; F234-F462 AromaticContact CE2-CE1 3.76Å; F234-F462 HydrophobicContact CE2-CE1 3.76Å; F234-F462 HydrophobicContact CE2-CZ 4.41Å; F234-F462 HydrophobicContact CZ-CD1 4.27Å; F234-F462 AromaticContact CZ-CE1 3.52Å; F234-F462 HydrophobicContact CZ-CE1 3.52Å; F234-F462 HydrophobicContact CZ-CZ 4.13Å; F234-Y465 HydrophobicContact CB-CD1 4.28Å; F234-Y465 HydrophobicContact CB-CE1 3.63Å
235	F	98.8	Very high	97.2	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.013	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.1	178.2	-79.3	-92.7	0	0	0	111.2	N177 I181 P182 L191 C192 H193 F206 I255 F256	N177-F235 HydrophobicContact CB-CE2 4.28Å; I181-F235 HydrophobicContact CB-CD1 4.29Å; I181-F235 HydrophobicContact CB-CD2 4.28Å; I181-F235 HydrophobicContact CB-CE1 4.1Å; I181-F235 HydrophobicContact CB-CE2 4.14Å; I181-F235 HydrophobicContact CB-CG 4.34Å; I181-F235 HydrophobicContact CB-CZ 4.02Å; I181-F235 HydrophobicContact CD1-CB 4.38Å; I181-F235 HydrophobicContact CD1-CD2 3.51Å; I181-F235 HydrophobicContact CD1-CE2 3.9Å; I181-F235 HydrophobicContact CD1-CG 3.98Å; I181-F235 HydrophobicContact CG1-CD2 4.47Å; I181-F235 HydrophobicContact CG2-CB 4.27Å; I181-F235 HydrophobicContact CG2-CD1 3.56Å; I181-F235 HydrophobicContact CG2-CD2 4.17Å; I181-F235 HydrophobicContact CG2-CE1 3.77Å; I181-F235 HydrophobicContact CG2-CE2 4.39Å; I181-F235 HydrophobicContact CG2-CG 3.73Å; I181-F235 HydrophobicContact CG2-CZ 4.18Å; P182-F235 HydrophobicContact CG-CE1 3.93Å; P182-F235 HydrophobicContact CG-CZ 4Å; L191-F235 HydrophobicContact CD1-CB 4.31Å; L191-F235 HydrophobicContact CD1-CD1 4.12Å; L191-F235 HydrophobicContact CD2-CD1 3.71Å; L191-F235 HydrophobicContact CD2-CE1 4Å; L191-F235 HydrophobicContact CG-CD1 3.93Å; C192-F235 CarbonylContact O-C 3.53Å; C192-F235 VanDerWaalsContact O-CA 3.31Å; C192-F235 WeakPolarHBondContact O-CA 3.34Å; H193-F235 HydrophobicContact CB-CD1 3.88Å; H193-F235 HydrophobicContact CB-CE1 3.49Å; H193-F235 VanDerWaalsContact CB-CE1 3.49Å; H193-F235 HydrophobicContact CB-CZ 3.85Å; H193-F235 AromaticContact CD2-CE2 3.65Å; H193-F235 AromaticContact CD2-CZ 3.74Å; H193-F235 AromaticContact CE1-CE2 3.8Å; H193-F235 AromaticContact CE1-CZ 3.66Å; H193-F235 AromaticContact CG-CE1 3.64Å; H193-F235 AromaticContact CG-CE2 3.86Å; H193-F235 AromaticContact CG-CZ 3.43Å; H193-F235 VanDerWaalsContact CG-CZ 3.43Å; H193-F235 AromaticContact ND1-CE1 3.95Å; H193-F235 AromaticContact ND1-CE2 3.97Å; H193-F235 AromaticContact ND1-CZ 3.4Å; H193-F235 WeakPolarHBondContact ND1-CZ 3.4Å; H193-F235 AromaticContact NE2-CE2 3.62Å; H193-F235 AromaticContact NE2-CZ 3.87Å; F206-F235 HydrophobicContact CE2-CE1 4.2Å; F235-I255 HydrophobicContact CB-CD1 3.83Å; F235-F256 WeakPolarHBondContact O-CB 3.38Å; F235-F256 PolarHBondContact O-N 3.25Å
236	V	98.5	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	121	179	179.2	0	0	0	0	109.6	L191 C192 Y194 M216 F234 L238 F256 M269	L191-V236 WeakPolarHBondContact CA-O 3.47Å; C192-V236 HydrophobicContact CB-CB 4.44Å; C192-V236 PolarHBondContact N-O 2.91Å; C192-V236 PolarHBondContact O-N 2.98Å; Y194-V236 HydrophobicContact CD2-CB 4.27Å; Y194-V236 HydrophobicContact CD2-CG2 3.76Å; Y194-V236 HydrophobicContact CE2-CB 4.13Å; Y194-V236 HydrophobicContact CE2-CG2 3.94Å; M216-V236 HydrophobicContact CE-CG2 4.36Å; M216-V236 HydrophobicContact CG-CG1 4.42Å; M216-V236 HydrophobicContact CG-CG2 4.21Å; M216-V236 HydrophobicContact SD-CG1 4.43Å; M216-V236 HydrophobicContact SD-CG2 4.23Å; F234-V236 HydrophobicContact CD2-CG2 3.64Å; F234-V236 HydrophobicContact CE2-CG2 3.54Å; V236-L238 HydrophobicContact CG1-CD2 4Å; V236-F256 WeakPolarHBondContact CA-O 3.42Å; V236-F256 HydrophobicContact CG2-CB 4.17Å; V236-M269 HydrophobicContact CG1-CE 3.47Å; V236-M269 VanDerWaalsContact CG1-CE 3.47Å
237	N	97.8	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.1	165.8	171.1	35.6	0	0	0	109.5	G239 W241 L243 I255 F256 S257 W258	N237-G239 PolarHBondContact ND2-O 3.23Å; N237-G239 PolarHBondContact OD1-N 2.92Å; N237-W241 PolarHBondContact ND2-O 3.44Å; N237-L243 HydrophobicContact CB-CD1 3.85Å; N237-L243 HydrophobicContact CB-CG 4.23Å; N237-I255 HydrophobicContact CB-CG2 3.7Å; N237-F256 PolarHBondContact N-O 3.46Å; N237-S257 WeakPolarHBondContact CB-OG 3.49Å; N237-S257 PolarHBondContact ND2-OG 2.93Å; N237-W258 PolarHBondContact O-NE1 3.4Å
238	L	95.8	Very high	96.6	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.037	21%	0.208	C	C	.	.			trans	-93.6	-11.4	177.2	-58.1	178.7	0	0	0	113	S190 C192 V210 F212 R213 V236 W258	S190-L238 PolarHBondContact O-N 3.48Å; C192-L238 VanDerWaalsContact SG-CD1 3.6Å; V210-L238 HydrophobicContact CB-CD1 4.22Å; V210-L238 WeakPolarHBondContact O-CD1 3.15Å; F212-L238 HydrophobicContact CB-CB 4.18Å; F212-L238 HydrophobicContact CB-CD1 4.47Å; R213-L238 HydrophobicContact CB-CD1 4.05Å; V236-L238 HydrophobicContact CG1-CD2 4Å; L238-W258 HydrophobicContact CD2-CZ2 4.38Å
239	G	93.9	Very high	96.2	Very high	18 Å²	18	44.2 Å²	44.2	19%	0.186	22%	0.22	C	C	.	.	S	Bend	trans	-77.7	165	179.4	0	0	0	0	0	113.2	N237	N237-G239 PolarHBondContact ND2-O 3.23Å; N237-G239 PolarHBondContact OD1-N 2.92Å
240	D	92.4	Very high	95.9	Very high	52 Å²	52	47.6 Å²	47.6	28%	0.278	24%	0.238	S	C	.	.	S	Bend	trans	-65	-45.4	178.7	-74.6	-5.3	0	0	0	112.1	T373 V374	D240-T373 HydrophobicContact CB-CG2 3.9Å; D240-V374 HydrophobicContact CB-CG1 4.38Å; D240-V374 HydrophobicContact CB-CG2 4.29Å; D240-V374 VanDerWaalsContact O-CG1 3.26Å; D240-V374 WeakPolarHBondContact O-CG1 3.3Å
241	W	95.5	Very high	95.7	Very high	140 Å²	140	51.1 Å²	51.1	53%	0.53	25%	0.249	S	C	.	.	S	Bend	trans	-82.4	134.8	-172.7	-63.3	-89.9	0	0	0	112.3	N237 T373 V374	N237-W241 PolarHBondContact ND2-O 3.44Å; W241-T373 HydrophobicContact CD2-CG2 3.94Å; W241-T373 HydrophobicContact CE3-CG2 4.31Å; W241-T373 HydrophobicContact CH2-CG2 3.51Å; W241-T373 HydrophobicContact CZ2-CG2 3.06Å; W241-T373 HydrophobicContact CZ3-CG2 4.1Å; W241-V374 HydrophobicContact CG-CG1 4.49Å
242	P	97	Very high	95.6	Very high	6 Å²	6	49.5 Å²	49.5	4%	0.039	24%	0.241	C	C	.	.			trans	-64.6	150.7	168.9	23.9	-30.4	0	0	0	112.2	C259 T264 D266 Y396	P242-C259 WeakPolarHBondContact CB-O 3.41Å; P242-T264 HydrophobicContact CB-CG2 3.85Å; P242-T264 WeakPolarHBondContact CB-OG1 3.33Å; P242-T264 HydrophobicContact CG-CG2 3.87Å; P242-T264 WeakPolarHBondContact CG-OG1 3.46Å; P242-D266 HydrophobicContact CB-CB 4.22Å; P242-D266 WeakPolarHBondContact CB-OD2 3.49Å; P242-Y396 HydrophobicContact CG-CE1 4.41Å
243	L	96.7	Very high	95.5	Very high	15 Å²	15	49.7 Å²	49.7	8%	0.079	24%	0.241	C	C	.	.			trans	-109	-36.5	-164.2	-60.5	-173.2	0	0	0	114.8	F185 Q189 N237 K245 I255 D266	F185-L243 HydrophobicContact CB-CD1 4.42Å; F185-L243 HydrophobicContact CD1-CB 4.15Å; F185-L243 HydrophobicContact CD1-CD1 3.99Å; F185-L243 HydrophobicContact CE1-CB 3.76Å; F185-L243 HydrophobicContact CE1-CD1 4.44Å; F185-L243 HydrophobicContact CG-CD1 4.22Å; F185-L243 HydrophobicContact CZ-CB 4.16Å; Q189-L243 HydrophobicContact CB-CD1 4.18Å; Q189-L243 HydrophobicContact CG-CD1 4.02Å; Q189-L243 HydrophobicContact CG-CD2 3.88Å; N237-L243 HydrophobicContact CB-CD1 3.85Å; N237-L243 HydrophobicContact CB-CG 4.23Å; L243-K245 PolarHBondContact O-N 3.36Å; L243-I255 HydrophobicContact CD1-CG2 4.35Å; L243-D266 VanDerWaalsContact N-CG 3.34Å; L243-D266 PolarHBondContact N-OD1 2.9Å; L243-D266 PolarHBondContact N-OD2 2.82Å
244	E	97.1	Very high	95.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.			trans	-84.5	88	-169.6	-176.9	52.7	-80.9	0	0	111.6	R184 R246 L252 H253 T264 R265 D266	R184-E244 IonicContact CZ-OE1 3.39Å; R184-E244 IonicContact CZ-OE2 3.23Å; R184-E244 VanDerWaalsContact NH1-CD 3.33Å; R184-E244 IonicContact NH1-OE1 2.93Å; R184-E244 PolarHBondContact NH1-OE1 3.48Å; R184-E244 IonicContact NH1-OE2 3.72Å; R184-E244 PolarHBondContact NH1-OE2 2.67Å; R184-E244 IonicContact NH2-OE1 3.61Å; R184-E244 PolarHBondContact NH2-OE1 3.29Å; R184-E244 IonicContact NH2-OE2 3.71Å; E244-R246 WeakPolarHBondContact OE1-CB 3.42Å; E244-R246 WeakPolarHBondContact OE1-CG 3.49Å; E244-R246 PolarHBondContact OE1-N 2.97Å; E244-L252 HydrophobicContact CG-CD2 4.17Å; E244-H253 WeakPolarHBondContact OE2-CB 3.45Å; E244-H253 PolarHBondContact OE2-N 3.13Å; E244-T264 CarbonylContact O-C 3.55Å; E244-T264 WeakPolarHBondContact O-CA 3.36Å; E244-T264 WeakPolarHBondContact O-CB 3.36Å; E244-R265 HydrophobicContact CB-CB 4.4Å; E244-R265 HydrophobicContact CG-CB 3.99Å; E244-R265 PolarHBondContact O-N 3.2Å; E244-D266 PolarHBondContact N-OD2 2.65Å
245	K	96.4	Very high	95.5	Very high	158 Å²	158	49.6 Å²	49.6	69%	0.687	24%	0.241	S	C	*	.			trans	-88	-2.9	-178.3	-65.9	178	-178.7	179.5	0	114.8	L243 T264	L243-K245 PolarHBondContact O-N 3.36Å; K245-T264 HydrophobicContact CG-CG2 3.88Å
246	R	96.5	Very high	95.5	Very high	87 Å²	87	49.4 Å²	49.4	33%	0.328	24%	0.241	S	C	.	.	S	Bend	trans	-66.5	155.2	179.8	-74.8	177.4	179.5	169.8	2.5	111.4	E244 D250 K251 L252	E244-R246 WeakPolarHBondContact OE1-CB 3.42Å; E244-R246 WeakPolarHBondContact OE1-CG 3.49Å; E244-R246 PolarHBondContact OE1-N 2.97Å; R246-D250 HydrophobicContact CB-CB 3.94Å; R246-D250 HydrophobicContact CG-CB 4.38Å; R246-K251 WeakPolarHBondContact CD-O 3.44Å; R246-K251 PolarHBondContact NH1-O 3.02Å; R246-L252 HydrophobicContact CB-CD2 3.77Å
247	K	93.7	Very high	95.4	Very high	143 Å²	143	49.5 Å²	49.5	62%	0.622	24%	0.241	S	C	*	.			trans	-74.6	154.8	177.5	-64.3	180	-177.4	177.3	0	109.7	T249 D250 L252	K247-T249 PolarHBondContact O-N 2.84Å; K247-D250 PolarHBondContact N-OD2 2.95Å; K247-D250 WeakPolarHBondContact O-CB 3.47Å; K247-D250 PolarHBondContact O-N 3.44Å; K247-L252 WeakPolarHBondContact O-CD2 3.2Å
248	P	90.2	Very high	95.4	Very high	71 Å²	71	49.5 Å²	49.5	46%	0.461	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21	176.3	-26.8	35.9	0	0	0	115.2	L168 D250	L168-P248 HydrophobicContact CD2-CB 4.3Å; L168-P248 HydrophobicContact CD2-CG 4.32Å; P248-D250 VanDerWaalsContact C-N 3.31Å
249	T	89.5	Confident	95.5	Very high	125 Å²	125	49.2 Å²	49.2	77%	0.767	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.5	175.7	52.3	0	0	0	0	113.7	K247	K247-T249 PolarHBondContact O-N 2.84Å
250	D	92.1	Very high	95.6	Very high	76 Å²	76	48.4 Å²	48.4	41%	0.406	23%	0.231	S	C	.	.	S	Bend	trans	-89.4	169.2	-178.9	-54.1	-27.8	0	0	0	110.3	R246 K247 P248 L252	R246-D250 HydrophobicContact CB-CB 3.94Å; R246-D250 HydrophobicContact CG-CB 4.38Å; K247-D250 PolarHBondContact N-OD2 2.95Å; K247-D250 WeakPolarHBondContact O-CB 3.47Å; K247-D250 PolarHBondContact O-N 3.44Å; P248-D250 VanDerWaalsContact C-N 3.31Å; D250-L252 PolarHBondContact O-N 3.1Å
251	K	92.1	Very high	95.9	Very high	112 Å²	112	46.2 Å²	46.2	49%	0.487	22%	0.22	S	C	.	.			trans	-71.9	99.9	170.5	-167.5	-178.7	-177.6	-168.9	0	110	E180 R246	E180-K251 IonicContact OE1-NZ 2.73Å; E180-K251 PolarHBondContact OE1-NZ 3.23Å; E180-K251 IonicContact OE2-NZ 3.37Å; E180-K251 PolarHBondContact OE2-NZ 3.11Å; R246-K251 WeakPolarHBondContact CD-O 3.44Å; R246-K251 PolarHBondContact NH1-O 3.02Å
252	L	96.9	Very high	95.9	Very high	21 Å²	21	44.4 Å²	44.4	11%	0.11	22%	0.221	C	C	.	.			trans	-78.5	150.5	-179.8	-58.1	-177	0	0	0	112.2	L168 Y169 E244 R246 K247 D250 R265	L168-L252 HydrophobicContact CB-CD1 4.01Å; Y169-L252 HydrophobicContact CD1-CB 4.31Å; Y169-L252 HydrophobicContact CE1-CB 3.58Å; Y169-L252 HydrophobicContact CE1-CD1 4.18Å; E244-L252 HydrophobicContact CG-CD2 4.17Å; R246-L252 HydrophobicContact CB-CD2 3.77Å; K247-L252 WeakPolarHBondContact O-CD2 3.2Å; D250-L252 PolarHBondContact O-N 3.1Å; L252-R265 HydrophobicContact CD1-CB 4.31Å; L252-R265 HydrophobicContact CD1-CG 4.48Å; L252-R265 HydrophobicContact CD2-CG 4.44Å
253	H	97.4	Very high	95.8	Very high	4 Å²	4	50 Å²	50	2%	0.019	25%	0.25	C	C	.	.			trans	-106.9	123.3	166.9	-70.9	134.4	0	0	0	110.2	Y169 E180 I181 R184 F185 E244 I255	Y169-H253 PolarHBondContact OH-O 3.13Å; E180-H253 VanDerWaalsContact CB-NE2 3.32Å; E180-H253 WeakPolarHBondContact CB-NE2 3.33Å; E180-H253 IonicContact OE2-CD2 3.93Å; E180-H253 IonicContact OE2-CE1 2.78Å; E180-H253 IonicContact OE2-NE2 2.97Å; E180-H253 PolarHBondContact OE2-NE2 2.96Å; I181-H253 HydrophobicContact CD1-CB 3.93Å; I181-H253 HydrophobicContact CG1-CB 3.75Å; R184-H253 PolarHBondContact NH1-ND1 3.27Å; R184-H253 VanDerWaalsContact NH1-ND1 3.17Å; F185-H253 HydrophobicContact CE2-CB 4.47Å; E244-H253 WeakPolarHBondContact OE2-CB 3.45Å; E244-H253 PolarHBondContact OE2-N 3.13Å; H253-I255 HydrophobicContact CB-CD1 4.47Å; H253-I255 HydrophobicContact CB-CG1 4.46Å; H253-I255 PolarHBondContact O-N 3.41Å; H253-I255 VanDerWaalsContact O-N 3.15Å
254	P	97.9	Very high	95.9	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.019	25%	0.247	C	C	.	.			trans	-72.8	108.4	177.7	28.6	-32.8	0	0	0	110.3	Y169 V172 N177 I267 Y465	Y169-P254 HydrophobicContact CD1-CB 4.16Å; Y169-P254 HydrophobicContact CE1-CB 3.78Å; Y169-P254 HydrophobicContact CE1-CG 4.4Å; V172-P254 HydrophobicContact CG1-CG 4.06Å; V172-P254 HydrophobicContact CG2-CG 4.19Å; N177-P254 WeakPolarHBondContact ND2-CG 3.22Å; P254-I267 HydrophobicContact CB-CD1 3.78Å; P254-Y465 HydrophobicContact CB-CE2 3.72Å; P254-Y465 WeakPolarHBondContact CB-OH 3.35Å; P254-Y465 HydrophobicContact CG-CE2 4.23Å; P254-Y465 VanDerWaalsContact CG-OH 3.23Å; P254-Y465 WeakPolarHBondContact CG-OH 3.32Å
255	I	98.3	Very high	95.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.4	177.9	-53.7	-61.7	0	0	0	108.9	I181 F185 F235 N237 L243 H253 D266 I267	I181-I255 HydrophobicContact CD1-CD1 3.84Å; I181-I255 HydrophobicContact CG1-CD1 4.28Å; I181-I255 HydrophobicContact CG2-CD1 3.5Å; I181-I255 VanDerWaalsContact CG2-CD1 3.5Å; F185-I255 HydrophobicContact CD2-CD1 4.43Å; F185-I255 HydrophobicContact CE2-CD1 4.4Å; F185-I255 HydrophobicContact CE2-CG1 4.35Å; F235-I255 HydrophobicContact CB-CD1 3.83Å; N237-I255 HydrophobicContact CB-CG2 3.7Å; L243-I255 HydrophobicContact CD1-CG2 4.35Å; H253-I255 HydrophobicContact CB-CD1 4.47Å; H253-I255 HydrophobicContact CB-CG1 4.46Å; H253-I255 PolarHBondContact O-N 3.41Å; H253-I255 VanDerWaalsContact O-N 3.15Å; I255-D266 CarbonylContact O-C 3.55Å; I255-D266 WeakPolarHBondContact O-CA 3.48Å; I255-I267 PolarHBondContact O-N 2.92Å
256	F	98.8	Very high	96	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.6	175	-72.6	39.4	0	0	0	108.4	F234 F235 V236 N237 I267 M269 L461 F462 Y465	F234-F256 HydrophobicContact CB-CE1 4.16Å; F234-F256 HydrophobicContact CB-CZ 4.32Å; F234-F256 HydrophobicContact CD2-CD2 4.26Å; F234-F256 HydrophobicContact CD2-CE2 4.35Å; F234-F256 HydrophobicContact CD2-CG 4.48Å; F235-F256 WeakPolarHBondContact O-CB 3.38Å; F235-F256 PolarHBondContact O-N 3.25Å; V236-F256 WeakPolarHBondContact CA-O 3.42Å; V236-F256 HydrophobicContact CG2-CB 4.17Å; N237-F256 PolarHBondContact N-O 3.46Å; F256-I267 CarbonylContact C-O 3.39Å; F256-I267 VanDerWaalsContact CA-O 3.27Å; F256-I267 WeakPolarHBondContact CA-O 3.4Å; F256-I267 HydrophobicContact CD1-CB 4.01Å; F256-I267 HydrophobicContact CD1-CD1 3.97Å; F256-I267 HydrophobicContact CD1-CG2 4.25Å; F256-I267 HydrophobicContact CE1-CB 4.26Å; F256-I267 HydrophobicContact CE1-CD1 3.64Å; F256-I267 HydrophobicContact CE1-CG2 4.17Å; F256-I267 HydrophobicContact CG-CB 4.45Å; F256-I267 HydrophobicContact CZ-CG2 4.38Å; F256-M269 HydrophobicContact CB-CE 4.33Å; F256-M269 HydrophobicContact CB-SD 4.25Å; F256-L461 HydrophobicContact CD2-CD2 3.82Å; F256-L461 HydrophobicContact CD2-CG 4.44Å; F256-L461 HydrophobicContact CE2-CD1 4.09Å; F256-L461 HydrophobicContact CE2-CD2 3.52Å; F256-L461 HydrophobicContact CE2-CG 3.64Å; F256-L461 HydrophobicContact CZ-CD1 4.18Å; F256-L461 HydrophobicContact CZ-CD2 4.41Å; F256-L461 HydrophobicContact CZ-CG 4.16Å; F256-F462 HydrophobicContact CD2-CE1 4.44Å; F256-F462 HydrophobicContact CE2-CD1 4.18Å; F256-F462 AromaticContact CE2-CE1 3.85Å; F256-F462 HydrophobicContact CE2-CE1 3.85Å; F256-Y465 HydrophobicContact CE1-CD1 4.09Å; F256-Y465 AromaticContact CE1-CD2 3.87Å; F256-Y465 HydrophobicContact CE1-CD2 3.87Å; F256-Y465 HydrophobicContact CE1-CE1 4.06Å; F256-Y465 AromaticContact CE1-CE2 3.84Å; F256-Y465 HydrophobicContact CE1-CE2 3.84Å; F256-Y465 AromaticContact CE1-CG 3.98Å; F256-Y465 HydrophobicContact CE1-CG 3.98Å; F256-Y465 AromaticContact CE1-CZ 3.93Å; F256-Y465 AromaticContact CZ-CD1 3.82Å; F256-Y465 HydrophobicContact CZ-CD1 3.82Å; F256-Y465 HydrophobicContact CZ-CD2 4.02Å; F256-Y465 HydrophobicContact CZ-CE1 4.22Å; F256-Y465 HydrophobicContact CZ-CE2 4.4Å; F256-Y465 AromaticContact CZ-CG 3.7Å; F256-Y465 HydrophobicContact CZ-CG 3.7Å
257	S	98.4	Very high	96.1	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.2	-177.6	-74.9	0	0	0	0	111.4	N237 C259 D266 I267 V268 M269	N237-S257 WeakPolarHBondContact CB-OG 3.49Å; N237-S257 PolarHBondContact ND2-OG 2.93Å; S257-C259 WeakPolarHBondContact CB-O 3.39Å; S257-C259 PolarHBondContact O-N 3.48Å; S257-D266 PolarHBondContact OG-OD1 3.11Å; S257-I267 PolarHBondContact N-O 3.5Å; S257-V268 WeakPolarHBondContact O-CA 3.19Å; S257-M269 WeakPolarHBondContact O-CG 3.25Å; S257-M269 PolarHBondContact O-N 3.23Å; S257-M269 VanDerWaalsContact O-N 3.11Å
258	W	96.9	Very high	96.3	Very high	1 Å²	1	34 Å²	34	0%	0.004	18%	0.181	C	C	.	.	S	Bend	trans	-65.4	-26.1	175.1	-51.7	116.6	0	0	0	113.1	F215 M216 N237 L238 M269 P270 T271 Y272 Y377	F215-W258 HydrophobicContact CB-CH2 4.47Å; M216-W258 HydrophobicContact CB-CH2 4.36Å; M216-W258 HydrophobicContact SD-CH2 4.17Å; N237-W258 PolarHBondContact O-NE1 3.4Å; L238-W258 HydrophobicContact CD2-CZ2 4.38Å; W258-M269 HydrophobicContact CD2-CE 3.68Å; W258-M269 HydrophobicContact CE3-CE 3.49Å; W258-M269 VanDerWaalsContact CE3-CE 3.49Å; W258-M269 HydrophobicContact CE3-CG 4.01Å; W258-M269 HydrophobicContact CE3-SD 4.15Å; W258-M269 HydrophobicContact CG-CE 4.49Å; W258-M269 HydrophobicContact CH2-CE 3.64Å; W258-M269 HydrophobicContact CH2-SD 4.29Å; W258-M269 HydrophobicContact CZ2-CE 3.8Å; W258-M269 HydrophobicContact CZ3-CE 3.48Å; W258-M269 VanDerWaalsContact CZ3-CE 3.48Å; W258-M269 HydrophobicContact CZ3-CG 4.19Å; W258-M269 HydrophobicContact CZ3-SD 3.85Å; W258-P270 VanDerWaalsContact CZ3-O 3.26Å; W258-P270 WeakPolarHBondContact CZ3-O 3.2Å; W258-T271 HydrophobicContact CB-CG2 4.46Å; W258-T271 WeakPolarHBondContact O-CG2 3.42Å; W258-Y272 HydrophobicContact CD2-CD1 4.24Å; W258-Y272 VanDerWaalsContact CE3-N 3.31Å; W258-Y272 HydrophobicContact CG-CD1 4.19Å; W258-Y377 WeakPolarHBondContact CB-OH 3.46Å
259	C	97.1	Very high	96.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	16%	0.159	C	C	.	.			trans	-140.6	141.3	-178.1	-175.8	0	0	0	0	109.9	P242 S257 V374 Y397	P242-C259 WeakPolarHBondContact CB-O 3.41Å; S257-C259 WeakPolarHBondContact CB-O 3.39Å; S257-C259 PolarHBondContact O-N 3.48Å; C259-V374 HydrophobicContact CB-CB 4.24Å; C259-V374 HydrophobicContact CB-CG2 4.04Å; C259-Y397 PolarHBondContact SG-O 3.36Å
260	G	97.6	Very high	97.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	174.2	171.2	0	0	0	0	0	112.1	Y396 Y397	G260-Y396 WeakPolarHBondContact O-CA 3.33Å; G260-Y397 PolarHBondContact N-O 3.47Å; G260-Y397 PolarHBondContact O-N 2.87Å
261	S	97.3	Very high	97.4	Very high	7 Å²	7	21 Å²	21	5%	0.049	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.5	170.9	79.2	0	0	0	0	112.6	N263 T264 S395 Y397	S261-N263 PolarHBondContact O-N 2.92Å; S261-N263 PolarHBondContact OG-N 3.48Å; S261-T264 PolarHBondContact N-OG1 2.93Å; S261-T264 PolarHBondContact O-N 3.25Å; S261-T264 PolarHBondContact O-OG1 3.37Å; S261-T264 WeakPolarHBondContact OG-CG2 3.49Å; S261-T264 PolarHBondContact OG-N 3.35Å; S261-T264 PolarHBondContact OG-OG1 3.41Å; S261-S395 CarbonylContact C-O 3.57Å; S261-S395 WeakPolarHBondContact CA-O 3.38Å; S261-S395 WeakPolarHBondContact CB-O 3.11Å; S261-Y397 VanDerWaalsContact C-CE1 3.4Å
262	N	95.6	Very high	97.6	Very high	102 Å²	102	17.8 Å²	17.8	55%	0.545	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-23.8	176.1	-64.7	-0.3	0	0	0	112.9	R265 S395	N262-R265 PolarHBondContact O-NH1 3.34Å; N262-S395 PolarHBondContact N-O 3.2Å; N262-S395 PolarHBondContact OD1-O 3.16Å
263	N	96	Very high	97.6	Very high	122 Å²	122	19.2 Å²	19.2	65%	0.652	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	7.2	-177.6	-62.3	-33.7	0	0	0	113.7	S261	S261-N263 PolarHBondContact O-N 2.92Å; S261-N263 PolarHBondContact OG-N 3.48Å
264	T	97.3	Very high	97.6	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.018	10%	0.095	C	C	.	.			trans	-131	166.1	-180	58.1	0	0	0	0	112.3	P242 E244 K245 S261 D266	P242-T264 HydrophobicContact CB-CG2 3.85Å; P242-T264 WeakPolarHBondContact CB-OG1 3.33Å; P242-T264 HydrophobicContact CG-CG2 3.87Å; P242-T264 WeakPolarHBondContact CG-OG1 3.46Å; E244-T264 CarbonylContact O-C 3.55Å; E244-T264 WeakPolarHBondContact O-CA 3.36Å; E244-T264 WeakPolarHBondContact O-CB 3.36Å; K245-T264 HydrophobicContact CG-CG2 3.88Å; S261-T264 PolarHBondContact N-OG1 2.93Å; S261-T264 PolarHBondContact O-N 3.25Å; S261-T264 PolarHBondContact O-OG1 3.37Å; S261-T264 WeakPolarHBondContact OG-CG2 3.49Å; S261-T264 PolarHBondContact OG-N 3.35Å; S261-T264 PolarHBondContact OG-OG1 3.41Å; T264-D266 WeakPolarHBondContact CB-OD2 3.43Å
265	R	97.4	Very high	97.6	Very high	65 Å²	65	19 Å²	19	25%	0.245	10%	0.095	C	C	.	.			trans	-127.8	20.5	-175.5	-54.9	-60.7	174.5	-115.1	7.2	112.8	L168 Y169 E244 L252 N262	L168-R265 HydrophobicContact CD1-CB 3.94Å; L168-R265 HydrophobicContact CD1-CG 4.21Å; Y169-R265 PolarHBondContact OH-O 3.03Å; E244-R265 HydrophobicContact CB-CB 4.4Å; E244-R265 HydrophobicContact CG-CB 3.99Å; E244-R265 PolarHBondContact O-N 3.2Å; L252-R265 HydrophobicContact CD1-CB 4.31Å; L252-R265 HydrophobicContact CD1-CG 4.48Å; L252-R265 HydrophobicContact CD2-CG 4.44Å; N262-R265 PolarHBondContact O-NH1 3.34Å
266	D	98.4	Very high	97.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.			trans	-59.3	146.1	170.7	-59.9	-124	0	0	0	110.7	P242 L243 E244 I255 S257 T264	P242-D266 HydrophobicContact CB-CB 4.22Å; P242-D266 WeakPolarHBondContact CB-OD2 3.49Å; L243-D266 VanDerWaalsContact N-CG 3.34Å; L243-D266 PolarHBondContact N-OD1 2.9Å; L243-D266 PolarHBondContact N-OD2 2.82Å; E244-D266 PolarHBondContact N-OD2 2.65Å; I255-D266 CarbonylContact O-C 3.55Å; I255-D266 WeakPolarHBondContact O-CA 3.48Å; S257-D266 PolarHBondContact OG-OD1 3.11Å; T264-D266 WeakPolarHBondContact CB-OD2 3.43Å
267	I	98.8	Very high	97.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.3	175.5	-60.8	164.1	0	0	0	107.5	D165 L166 Y169 P254 I255 F256 S257 L461 Y465	D165-I267 HydrophobicContact CB-CB 4.44Å; D165-I267 HydrophobicContact CB-CG1 4.36Å; D165-I267 HydrophobicContact CB-CG2 4.3Å; L166-I267 HydrophobicContact CD2-CD1 3.75Å; L166-I267 HydrophobicContact CD2-CG1 4.13Å; L166-I267 HydrophobicContact CD2-CG2 4.13Å; Y169-I267 HydrophobicContact CD2-CD1 4.4Å; Y169-I267 HydrophobicContact CE2-CD1 3.98Å; Y169-I267 HydrophobicContact CE2-CG1 3.93Å; P254-I267 HydrophobicContact CB-CD1 3.78Å; I255-I267 PolarHBondContact O-N 2.92Å; F256-I267 CarbonylContact C-O 3.39Å; F256-I267 VanDerWaalsContact CA-O 3.27Å; F256-I267 WeakPolarHBondContact CA-O 3.4Å; F256-I267 HydrophobicContact CD1-CB 4.01Å; F256-I267 HydrophobicContact CD1-CD1 3.97Å; F256-I267 HydrophobicContact CD1-CG2 4.25Å; F256-I267 HydrophobicContact CE1-CB 4.26Å; F256-I267 HydrophobicContact CE1-CD1 3.64Å; F256-I267 HydrophobicContact CE1-CG2 4.17Å; F256-I267 HydrophobicContact CG-CB 4.45Å; F256-I267 HydrophobicContact CZ-CG2 4.38Å; S257-I267 PolarHBondContact N-O 3.5Å; I267-L461 HydrophobicContact CG2-CD1 3.58Å; I267-Y465 HydrophobicContact CD1-CD2 4Å; I267-Y465 HydrophobicContact CD1-CE2 3.84Å
268	V	98.5	Very high	97.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.7	-169.4	-173.8	0	0	0	0	111.2	D165 S257 Y397 H399 Y457	D165-V268 PolarHBondContact OD2-N 3.22Å; S257-V268 WeakPolarHBondContact O-CA 3.19Å; V268-Y397 HydrophobicContact CB-CE2 4.4Å; V268-Y397 HydrophobicContact CG2-CD2 4.22Å; V268-Y397 HydrophobicContact CG2-CE2 3.53Å; V268-H399 HydrophobicContact CG1-CB 4.09Å; V268-Y457 WeakPolarHBondContact O-CE1 3.31Å; V268-Y457 PolarHBondContact O-OH 2.8Å
269	M	97.9	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.			trans	-116.1	163.7	175.2	57.2	178	175.1	0	0	111.3	M216 V236 F256 S257 W258 T271 Y458 L461	M216-M269 HydrophobicContact SD-CE 4.31Å; M216-M269 HydrophobicContact SD-SD 3.94Å; V236-M269 HydrophobicContact CG1-CE 3.47Å; V236-M269 VanDerWaalsContact CG1-CE 3.47Å; F256-M269 HydrophobicContact CB-CE 4.33Å; F256-M269 HydrophobicContact CB-SD 4.25Å; S257-M269 WeakPolarHBondContact O-CG 3.25Å; S257-M269 PolarHBondContact O-N 3.23Å; S257-M269 VanDerWaalsContact O-N 3.11Å; W258-M269 HydrophobicContact CD2-CE 3.68Å; W258-M269 HydrophobicContact CE3-CE 3.49Å; W258-M269 VanDerWaalsContact CE3-CE 3.49Å; W258-M269 HydrophobicContact CE3-CG 4.01Å; W258-M269 HydrophobicContact CE3-SD 4.15Å; W258-M269 HydrophobicContact CG-CE 4.49Å; W258-M269 HydrophobicContact CH2-CE 3.64Å; W258-M269 HydrophobicContact CH2-SD 4.29Å; W258-M269 HydrophobicContact CZ2-CE 3.8Å; W258-M269 HydrophobicContact CZ3-CE 3.48Å; W258-M269 VanDerWaalsContact CZ3-CE 3.48Å; W258-M269 HydrophobicContact CZ3-CG 4.19Å; W258-M269 HydrophobicContact CZ3-SD 3.85Å; M269-T271 PolarHBondContact O-N 3.15Å; M269-Y458 HydrophobicContact CB-CE1 4.06Å; M269-Y458 HydrophobicContact SD-CE1 4.18Å; M269-L461 HydrophobicContact CB-CD2 4.07Å
270	P	98.4	Very high	97.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.			trans	-51.8	138.2	171.2	-26.7	36	0	0	0	111.2	W258 H399 I454 Y457 Y458	W258-P270 VanDerWaalsContact CZ3-O 3.26Å; W258-P270 WeakPolarHBondContact CZ3-O 3.2Å; P270-H399 WeakPolarHBondContact CA-ND1 3.47Å; P270-I454 HydrophobicContact CB-CD1 4.3Å; P270-I454 HydrophobicContact CB-CG2 4.21Å; P270-I454 HydrophobicContact CG-CD1 4.27Å; P270-I454 HydrophobicContact CG-CG2 4.22Å; P270-Y457 VanDerWaalsContact CD-CD1 3.48Å; P270-Y457 HydrophobicContact CG-CD1 3.89Å; P270-Y457 HydrophobicContact CG-CE1 4.46Å; P270-Y457 HydrophobicContact CG-CG 4.22Å; P270-Y458 HydrophobicContact CB-CE2 3.84Å; P270-Y458 HydrophobicContact CG-CD2 4.16Å; P270-Y458 HydrophobicContact CG-CE2 3.69Å; P270-Y458 PolarHBondContact O-OH 3Å
271	T	97.9	Very high	97.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.			trans	-64.1	152.4	-176.4	54.6	0	0	0	0	110.6	W258 M269 D273 L274 T275 Y377 E398	W258-T271 HydrophobicContact CB-CG2 4.46Å; W258-T271 WeakPolarHBondContact O-CG2 3.42Å; M269-T271 PolarHBondContact O-N 3.15Å; T271-D273 PolarHBondContact O-N 3.41Å; T271-D273 VanDerWaalsContact O-N 3.15Å; T271-L274 PolarHBondContact O-N 3.08Å; T271-L274 WeakPolarHBondContact OG1-CB 3.39Å; T271-L274 PolarHBondContact OG1-N 2.84Å; T271-T275 WeakPolarHBondContact O-CB 3.16Å; T271-T275 PolarHBondContact O-N 3.04Å; T271-T275 PolarHBondContact O-OG1 3.48Å; T271-T275 VanDerWaalsContact O-OG1 3.11Å; T271-Y377 HydrophobicContact CG2-CD1 3.49Å; T271-Y377 VanDerWaalsContact CG2-CD1 3.49Å; T271-Y377 HydrophobicContact CG2-CD2 4.43Å; T271-Y377 HydrophobicContact CG2-CE1 3.31Å; T271-Y377 HydrophobicContact CG2-CE2 4.28Å; T271-Y377 HydrophobicContact CG2-CG 4.07Å; T271-E398 HydrophobicContact CG2-CB 4.49Å; T271-E398 HydrophobicContact CG2-CG 3.9Å; T271-E398 WeakPolarHBondContact CG2-OE2 3.33Å
272	Y	96.4	Very high	97	Very high	43 Å²	43	24.3 Å²	24.3	17%	0.169	12%	0.12	C	C	.	.	H	α-helix	trans	-56.5	-34.5	178.8	65.6	-105	0	0	0	112	F212 F215 W258 E276 Y377	F212-Y272 HydrophobicContact CD1-CD1 4.21Å; F212-Y272 HydrophobicContact CD1-CE1 4.12Å; F212-Y272 HydrophobicContact CE1-CD1 4.34Å; F212-Y272 AromaticContact CE1-CE1 3.84Å; F212-Y272 HydrophobicContact CE1-CE1 3.84Å; F212-Y272 HydrophobicContact CE1-CE2 4.19Å; F212-Y272 AromaticContact CE1-CZ 3.8Å; F215-Y272 HydrophobicContact CD2-CD2 4.06Å; F215-Y272 AromaticContact CD2-CG 3.96Å; F215-Y272 HydrophobicContact CD2-CG 3.96Å; F215-Y272 AromaticContact CE2-CD2 3.9Å; F215-Y272 HydrophobicContact CE2-CD2 3.9Å; F215-Y272 HydrophobicContact CE2-CG 4.23Å; F215-Y272 HydrophobicContact CG-CD2 4.43Å; F215-Y272 HydrophobicContact CG-CG 4.32Å; F215-Y272 HydrophobicContact CZ-CD2 4.13Å; W258-Y272 HydrophobicContact CD2-CD1 4.24Å; W258-Y272 VanDerWaalsContact CE3-N 3.31Å; W258-Y272 HydrophobicContact CG-CD1 4.19Å; Y272-E276 WeakPolarHBondContact O-CB 3.31Å; Y272-E276 PolarHBondContact O-N 2.97Å; Y272-Y377 HydrophobicContact CD1-CE2 4.14Å; Y272-Y377 HydrophobicContact CE1-CD2 4.27Å; Y272-Y377 AromaticContact CE1-CE2 3.52Å; Y272-Y377 HydrophobicContact CE1-CE2 3.52Å; Y272-Y377 AromaticContact CZ-CE2 3.77Å
273	D	96.6	Very high	96.7	Very high	52 Å²	52	21.5 Å²	21.5	28%	0.278	12%	0.115	S	C	.	.	H	α-helix	trans	-67.7	-48.5	-179.8	-174.1	100.9	0	0	0	111.4	T271 T275 E276 S277 Y377 Y381	T271-D273 PolarHBondContact O-N 3.41Å; T271-D273 VanDerWaalsContact O-N 3.15Å; D273-T275 PolarHBondContact O-N 3.47Å; D273-E276 PolarHBondContact O-N 3.33Å; D273-S277 WeakPolarHBondContact O-CB 3.41Å; D273-S277 PolarHBondContact O-N 3Å; D273-Y377 HydrophobicContact CB-CD2 4.15Å; D273-Y381 PolarHBondContact O-OH 2.88Å; D273-Y381 WeakPolarHBondContact OD2-CE2 3.41Å; D273-Y381 VanDerWaalsContact OD2-CZ 3.3Å; D273-Y381 PolarHBondContact OD2-OH 3.2Å
274	L	97.6	Very high	96.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-41.7	176.3	-176.8	62	0	0	0	111.5	T271 S277 V278 M289 P380 L449 I454	T271-L274 PolarHBondContact O-N 3.08Å; T271-L274 WeakPolarHBondContact OG1-CB 3.39Å; T271-L274 PolarHBondContact OG1-N 2.84Å; L274-S277 WeakPolarHBondContact O-CB 3.1Å; L274-S277 PolarHBondContact O-N 3.02Å; L274-S277 PolarHBondContact O-OG 2.93Å; L274-V278 PolarHBondContact O-N 2.94Å; L274-V278 VanDerWaalsContact O-N 3.17Å; L274-M289 HydrophobicContact CD1-CG 3.78Å; L274-M289 HydrophobicContact CD1-SD 3.93Å; L274-P380 HydrophobicContact CD1-CB 4.06Å; L274-P380 HydrophobicContact CD1-CG 4.47Å; L274-P380 HydrophobicContact CD2-CG 4.32Å; L274-L449 HydrophobicContact CD2-CD2 4.5Å; L274-I454 HydrophobicContact CD2-CD1 3.69Å; L274-I454 HydrophobicContact CD2-CG1 4.46Å; L274-I454 HydrophobicContact CG-CD1 4.21Å; L274-I454 HydrophobicContact CG-CG1 4.49Å
275	T	97.7	Very high	96.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-63	-44.7	177.3	-64.5	0	0	0	0	111.7	I219 T271 D273 S277 V278 L279 Y458	I219-T275 HydrophobicContact CB-CG2 3.7Å; I219-T275 HydrophobicContact CD1-CG2 4.24Å; I219-T275 HydrophobicContact CG1-CG2 4Å; I219-T275 HydrophobicContact CG2-CG2 4.17Å; T271-T275 WeakPolarHBondContact O-CB 3.16Å; T271-T275 PolarHBondContact O-N 3.04Å; T271-T275 PolarHBondContact O-OG1 3.48Å; T271-T275 VanDerWaalsContact O-OG1 3.11Å; D273-T275 PolarHBondContact O-N 3.47Å; T275-S277 VanDerWaalsContact C-N 3.33Å; T275-S277 PolarHBondContact O-N 2.91Å; T275-V278 PolarHBondContact O-N 3.25Å; T275-L279 HydrophobicContact CG2-CD1 4.02Å; T275-L279 WeakPolarHBondContact O-CG 3.44Å; T275-L279 PolarHBondContact O-N 3.14Å; T275-Y458 HydrophobicContact CG2-CE2 4.08Å; T275-Y458 WeakPolarHBondContact OG1-CE2 3.28Å; T275-Y458 PolarHBondContact OG1-OH 3.4Å
276	E	97.1	Very high	96	Very high	34 Å²	34	25.9 Å²	25.9	16%	0.159	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-42.7	173.9	-178	177.3	-147.6	0	0	111.2	F215 Y272 D273 V278 L279 E280 R284 V285	F215-E276 HydrophobicContact CD1-CB 4.27Å; F215-E276 HydrophobicContact CE1-CB 4.34Å; F215-E276 VanDerWaalsContact CE1-CD 3.47Å; F215-E276 HydrophobicContact CE1-CG 4.29Å; F215-E276 WeakPolarHBondContact CE1-OE2 3.44Å; Y272-E276 WeakPolarHBondContact O-CB 3.31Å; Y272-E276 PolarHBondContact O-N 2.97Å; D273-E276 PolarHBondContact O-N 3.33Å; E276-V278 PolarHBondContact O-N 3.26Å; E276-L279 PolarHBondContact O-N 3.01Å; E276-E280 HydrophobicContact CG-CG 4.21Å; E276-E280 WeakPolarHBondContact O-CB 3.41Å; E276-E280 PolarHBondContact O-N 3.48Å; E276-R284 IonicContact OE1-CZ 3.64Å; E276-R284 IonicContact OE1-NH1 3.17Å; E276-R284 PolarHBondContact OE1-NH1 2.62Å; E276-R284 IonicContact OE1-NH2 3.8Å; E276-R284 PolarHBondContact OE1-NH2 2.69Å; E276-V285 HydrophobicContact CG-CG1 4.19Å
277	S	96.6	Very high	95.9	Very high	3 Å²	3	28 Å²	28	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-58.2	-32.1	177	87.5	0	0	0	0	112.9	D273 L274 T275 S281 Y381	D273-S277 WeakPolarHBondContact O-CB 3.41Å; D273-S277 PolarHBondContact O-N 3Å; L274-S277 WeakPolarHBondContact O-CB 3.1Å; L274-S277 PolarHBondContact O-N 3.02Å; L274-S277 PolarHBondContact O-OG 2.93Å; T275-S277 VanDerWaalsContact C-N 3.33Å; T275-S277 PolarHBondContact O-N 2.91Å; S277-S281 VanDerWaalsContact O-CB 3.28Å; S277-S281 WeakPolarHBondContact O-CB 3.36Å; S277-S281 PolarHBondContact O-N 3.17Å; S277-Y381 WeakPolarHBondContact CB-OH 3.39Å
278	V	96.8	Very high	95.7	Very high	11 Å²	11	28.1 Å²	28.1	7%	0.067	15%	0.152	C	C	.	.	H	α-helix	trans	-78.3	-47.8	176.9	169.5	0	0	0	0	111.5	L274 T275 E276 E280 I454 F455	L274-V278 PolarHBondContact O-N 2.94Å; L274-V278 VanDerWaalsContact O-N 3.17Å; T275-V278 PolarHBondContact O-N 3.25Å; E276-V278 PolarHBondContact O-N 3.26Å; V278-E280 VanDerWaalsContact C-N 3.34Å; V278-E280 PolarHBondContact O-N 3.42Å; V278-I454 HydrophobicContact CG2-CB 4.25Å; V278-I454 HydrophobicContact CG2-CG1 3.95Å; V278-F455 HydrophobicContact CG1-CD2 4.25Å; V278-F455 HydrophobicContact CG1-CE2 3.84Å
279	L	97	Very high	95.6	Very high	17 Å²	17	28.4 Å²	28.4	9%	0.089	15%	0.153	C	C	.	.	H	α-helix	trans	-65.3	-39.2	-177.7	-68.7	175.7	0	0	0	112.4	P48 R104 A218 I219 S222 T275 E276 F455	P48-L279 VanDerWaalsContact CB-O 3.28Å; P48-L279 WeakPolarHBondContact CB-O 3.32Å; P48-L279 HydrophobicContact CG-CD2 4.09Å; R104-L279 PolarHBondContact NH1-O 3.2Å; A218-L279 HydrophobicContact CB-CD1 3.76Å; I219-L279 HydrophobicContact CB-CD1 4.17Å; I219-L279 HydrophobicContact CD1-CD1 4.5Å; I219-L279 HydrophobicContact CD1-CD2 4.1Å; S222-L279 WeakPolarHBondContact OG-CD2 3.19Å; T275-L279 HydrophobicContact CG2-CD1 4.02Å; T275-L279 WeakPolarHBondContact O-CG 3.44Å; T275-L279 PolarHBondContact O-N 3.14Å; E276-L279 PolarHBondContact O-N 3.01Å; L279-F455 HydrophobicContact CD2-CE2 4.49Å; L279-F455 HydrophobicContact CD2-CZ 3.81Å
280	E	95.9	Very high	95.6	Very high	51 Å²	51	29 Å²	29	24%	0.238	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	7.3	-174.8	-62.6	-68.9	-178.7	0	0	113.3	E276 V278 M282 G283 R284 V285	E276-E280 HydrophobicContact CG-CG 4.21Å; E276-E280 WeakPolarHBondContact O-CB 3.41Å; E276-E280 PolarHBondContact O-N 3.48Å; V278-E280 VanDerWaalsContact C-N 3.34Å; V278-E280 PolarHBondContact O-N 3.42Å; E280-M282 PolarHBondContact O-N 3Å; E280-G283 CarbonylContact O-C 3.51Å; E280-G283 VanDerWaalsContact O-CA 3.23Å; E280-G283 WeakPolarHBondContact O-CA 3.46Å; E280-G283 PolarHBondContact O-N 2.94Å; E280-R284 HydrophobicContact CB-CG 4.03Å; E280-R284 HydrophobicContact CG-CG 3.94Å; E280-R284 IonicContact OE1-CZ 2.83Å; E280-R284 IonicContact OE1-NE 3.17Å; E280-R284 PolarHBondContact OE1-NE 3.25Å; E280-R284 IonicContact OE1-NH2 3.09Å; E280-R284 IonicContact OE2-NE 2.69Å; E280-V285 HydrophobicContact CB-CB 4.24Å; E280-V285 HydrophobicContact CB-CG1 3.72Å; E280-V285 HydrophobicContact CB-CG2 3.7Å; E280-V285 HydrophobicContact CG-CG1 4.45Å; E280-V285 WeakPolarHBondContact O-CG2 3.32Å
281	S	94.1	Very high	95.5	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.014	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-54.3	130.1	173.2	166.9	0	0	0	0	110.2	A49 R104 S277 G283 M290	A49-S281 VanDerWaalsContact CB-OG 3.29Å; A49-S281 WeakPolarHBondContact CB-OG 3.12Å; R104-S281 PolarHBondContact NH1-O 3.28Å; S277-S281 VanDerWaalsContact O-CB 3.28Å; S277-S281 WeakPolarHBondContact O-CB 3.36Å; S277-S281 PolarHBondContact O-N 3.17Å; S281-G283 PolarHBondContact O-N 3.45Å; S281-M290 WeakPolarHBondContact OG-CE 3.34Å
282	M	94.1	Very high	95.5	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.015	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	29.9	-171.2	-54.4	-178.7	70.4	0	0	113.3	A49 W88 Q90 R102 R104 E280	A49-M282 HydrophobicContact CB-CB 4.46Å; A49-M282 HydrophobicContact CB-CG 4.2Å; A49-M282 HydrophobicContact CB-SD 4.12Å; W88-M282 HydrophobicContact CB-CE 4.4Å; W88-M282 HydrophobicContact CD2-CE 3.7Å; W88-M282 HydrophobicContact CE3-CB 3.77Å; W88-M282 HydrophobicContact CE3-CE 3.83Å; W88-M282 HydrophobicContact CG-CE 3.98Å; W88-M282 HydrophobicContact CZ3-CB 3.7Å; W88-M282 HydrophobicContact CZ3-CE 4.43Å; W88-M282 WeakPolarHBondContact CZ3-O 3.47Å; W88-M282 WeakPolarHBondContact O-CE 3.12Å; Q90-M282 HydrophobicContact CB-CE 4.41Å; Q90-M282 HydrophobicContact CG-CE 4.02Å; R102-M282 HydrophobicContact CB-SD 3.8Å; R102-M282 HydrophobicContact CG-CE 4.27Å; R102-M282 HydrophobicContact CG-CG 4.29Å; R102-M282 HydrophobicContact CG-SD 3.49Å; R102-M282 WeakPolarHBondContact CG-SD 3.48Å; R104-M282 HydrophobicContact CB-CB 4.14Å; R104-M282 HydrophobicContact CB-SD 4.43Å; R104-M282 VanDerWaalsContact CD-O 3.32Å; R104-M282 WeakPolarHBondContact CD-O 3.48Å; E280-M282 PolarHBondContact O-N 3Å
283	G	91.2	Very high	95.4	Very high	43 Å²	43	27.2 Å²	27.2	44%	0.443	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-117.8	171.6	0	0	0	0	0	109	E280 S281	E280-G283 CarbonylContact O-C 3.51Å; E280-G283 VanDerWaalsContact O-CA 3.23Å; E280-G283 WeakPolarHBondContact O-CA 3.46Å; E280-G283 PolarHBondContact O-N 2.94Å; S281-G283 PolarHBondContact O-N 3.45Å
284	R	92.1	Very high	95.3	Very high	158 Å²	158	25.3 Å²	25.3	60%	0.596	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-14.9	-176.6	68	-170.1	173.3	78.6	1.8	115.3	E276 E280	E276-R284 IonicContact OE1-CZ 3.64Å; E276-R284 IonicContact OE1-NH1 3.17Å; E276-R284 PolarHBondContact OE1-NH1 2.62Å; E276-R284 IonicContact OE1-NH2 3.8Å; E276-R284 PolarHBondContact OE1-NH2 2.69Å; E280-R284 HydrophobicContact CB-CG 4.03Å; E280-R284 HydrophobicContact CG-CG 3.94Å; E280-R284 IonicContact OE1-CZ 2.83Å; E280-R284 IonicContact OE1-NE 3.17Å; E280-R284 PolarHBondContact OE1-NE 3.25Å; E280-R284 IonicContact OE1-NH2 3.09Å; E280-R284 IonicContact OE2-NE 2.69Å
285	V	92.3	Very high	95.1	Very high	31 Å²	31	28.5 Å²	28.5	19%	0.188	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-97.3	136.4	178.6	-55.1	0	0	0	0	111	E276 E280	E276-V285 HydrophobicContact CG-CG1 4.19Å; E280-V285 HydrophobicContact CB-CB 4.24Å; E280-V285 HydrophobicContact CB-CG1 3.72Å; E280-V285 HydrophobicContact CB-CG2 3.7Å; E280-V285 HydrophobicContact CG-CG1 4.45Å; E280-V285 WeakPolarHBondContact O-CG2 3.32Å
286	S	90.8	Very high	94.9	Very high	94 Å²	94	28.6 Å²	28.6	66%	0.657	16%	0.159	S	C	*	.	S	Bend	trans	-95.3	-32.4	177	56.8	0	0	0	0	112.7	S291	S286-S291 WeakPolarHBondContact O-CB 3.25Å; S286-S291 PolarHBondContact O-OG 3.15Å
287	L	95.3	Very high	94.4	Very high	44 Å²	44	27.8 Å²	27.8	23%	0.23	16%	0.16	C	C	.	.			trans	-89	114.2	174.6	179.6	61.6	0	0	0	109.3	V292 F358 F359 Y381	L287-V292 HydrophobicContact CD1-CG2 3.6Å; L287-F358 HydrophobicContact CD1-CB 3.99Å; L287-F358 HydrophobicContact CD1-CD1 3.68Å; L287-F358 HydrophobicContact CD1-CE1 4.47Å; L287-F358 HydrophobicContact CD1-CG 3.99Å; L287-F358 HydrophobicContact CD2-CB 3.86Å; L287-F358 HydrophobicContact CD2-CD1 4.1Å; L287-F358 HydrophobicContact CD2-CD2 4.07Å; L287-F358 HydrophobicContact CD2-CG 3.73Å; L287-F359 HydrophobicContact CD1-CE1 4.09Å; L287-Y381 HydrophobicContact CD1-CD1 4.2Å; L287-Y381 HydrophobicContact CD1-CG 4.23Å; L287-Y381 HydrophobicContact CD2-CD2 4.05Å; L287-Y381 HydrophobicContact CD2-CE2 4.26Å; L287-Y381 HydrophobicContact CD2-CG 4.23Å; L287-Y381 HydrophobicContact CG-CD1 4.13Å; L287-Y381 HydrophobicContact CG-CD2 4.45Å; L287-Y381 HydrophobicContact CG-CE1 4.29Å; L287-Y381 HydrophobicContact CG-CG 4.22Å
288	D	96.1	Very high	94.2	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	17%	0.169	C	C	.	.			trans	-150.1	166.7	176.9	68	75.2	0	0	0	109.7	R102 M290 S291 V292	R102-D288 IonicContact CZ-OD2 3.68Å; R102-D288 IonicContact NH1-OD1 2.76Å; R102-D288 PolarHBondContact NH1-OD1 2.94Å; R102-D288 IonicContact NH1-OD2 3.04Å; R102-D288 PolarHBondContact NH1-OD2 3.45Å; D288-M290 PolarHBondContact O-N 2.72Å; D288-M290 VanDerWaalsContact O-N 3.12Å; D288-M290 VanDerWaalsContact OD1-CA 3.29Å; D288-M290 WeakPolarHBondContact OD1-CA 3.41Å; D288-M290 VanDerWaalsContact OD1-CB 3.22Å; D288-M290 WeakPolarHBondContact OD1-CB 3.04Å; D288-M290 PolarHBondContact OD1-N 2.67Å; D288-S291 PolarHBondContact N-OG 3.1Å; D288-S291 PolarHBondContact O-N 2.85Å; D288-S291 PolarHBondContact O-OG 3.29Å; D288-S291 VanDerWaalsContact O-OG 3.13Å; D288-S291 PolarHBondContact OD1-N 2.99Å; D288-S291 WeakPolarHBondContact OD2-CB 3.3Å; D288-S291 PolarHBondContact OD2-OG 2.77Å; D288-V292 WeakPolarHBondContact O-CG2 3.43Å; D288-V292 PolarHBondContact O-N 3.1Å
289	M	96.7	Very high	94.1	Very high	6 Å²	6	32 Å²	32	3%	0.03	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21	-176.1	-65.5	-59	-61.1	0	0	114	L274 Q293 P380 Y381 A384 A445 L449 M450	L274-M289 HydrophobicContact CD1-CG 3.78Å; L274-M289 HydrophobicContact CD1-SD 3.93Å; M289-Q293 WeakPolarHBondContact O-CG 3.03Å; M289-Q293 PolarHBondContact O-NE2 2.75Å; M289-P380 HydrophobicContact CE-CB 4.48Å; M289-P380 HydrophobicContact SD-CB 3.88Å; M289-Y381 HydrophobicContact CG-CE1 4.44Å; M289-Y381 HydrophobicContact SD-CD1 3.67Å; M289-Y381 HydrophobicContact SD-CE1 3.91Å; M289-A384 HydrophobicContact CE-CB 3.6Å; M289-A384 HydrophobicContact SD-CB 4.4Å; M289-A445 HydrophobicContact CE-CB 4.01Å; M289-L449 HydrophobicContact CE-CB 3.77Å; M289-L449 HydrophobicContact CE-CD1 4.39Å; M289-M450 HydrophobicContact CB-SD 4.18Å
290	M	96.8	Very high	94	Very high	12 Å²	12	31.7 Å²	31.7	6%	0.059	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-40.1	176.6	-62.5	-173.9	-83.1	0	0	111.9	A49 F51 L100 R102 S281 D288 V292 Q293 M450	A49-M290 HydrophobicContact CB-CE 3.82Å; F51-M290 HydrophobicContact CB-SD 3.52Å; F51-M290 VanDerWaalsContact CB-SD 3.52Å; F51-M290 HydrophobicContact CD1-SD 3.74Å; F51-M290 HydrophobicContact CG-SD 3.72Å; L100-M290 HydrophobicContact CD2-CB 3.59Å; L100-M290 HydrophobicContact CD2-CG 3.85Å; R102-M290 HydrophobicContact CB-CE 4.37Å; R102-M290 HydrophobicContact CB-SD 3.83Å; S281-M290 WeakPolarHBondContact OG-CE 3.34Å; D288-M290 PolarHBondContact O-N 2.72Å; D288-M290 VanDerWaalsContact O-N 3.12Å; D288-M290 VanDerWaalsContact OD1-CA 3.29Å; D288-M290 WeakPolarHBondContact OD1-CA 3.41Å; D288-M290 VanDerWaalsContact OD1-CB 3.22Å; D288-M290 WeakPolarHBondContact OD1-CB 3.04Å; D288-M290 PolarHBondContact OD1-N 2.67Å; M290-V292 VanDerWaalsContact C-N 3.31Å; M290-V292 PolarHBondContact O-N 2.82Å; M290-Q293 PolarHBondContact O-N 2.88Å; M290-M450 HydrophobicContact CG-CE 3.64Å; M290-M450 HydrophobicContact CG-SD 4.43Å; M290-M450 HydrophobicContact SD-CE 4.21Å
291	S	96.3	Very high	94	Very high	4 Å²	4	34 Å²	34	3%	0.028	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-36.7	-180	67.1	0	0	0	0	112	S286 D288 Q293 A294 N295 F359	S286-S291 WeakPolarHBondContact O-CB 3.25Å; S286-S291 PolarHBondContact O-OG 3.15Å; D288-S291 PolarHBondContact N-OG 3.1Å; D288-S291 PolarHBondContact O-N 2.85Å; D288-S291 PolarHBondContact O-OG 3.29Å; D288-S291 VanDerWaalsContact O-OG 3.13Å; D288-S291 PolarHBondContact OD1-N 2.99Å; D288-S291 WeakPolarHBondContact OD2-CB 3.3Å; D288-S291 PolarHBondContact OD2-OG 2.77Å; S291-Q293 VanDerWaalsContact C-N 3.26Å; S291-Q293 PolarHBondContact O-N 3.3Å; S291-A294 PolarHBondContact O-N 3.27Å; S291-N295 WeakPolarHBondContact O-CB 3.41Å; S291-N295 PolarHBondContact O-N 2.76Å; S291-N295 PolarHBondContact O-ND2 3.12Å; S291-F359 WeakPolarHBondContact OG-CZ 3.14Å
292	V	97	Very high	94.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-56.1	-41.1	174.5	170.8	0	0	0	0	111.9	L287 D288 M290 A294 N295 T296 F359 F362 Y381 A384	L287-V292 HydrophobicContact CD1-CG2 3.6Å; D288-V292 WeakPolarHBondContact O-CG2 3.43Å; D288-V292 PolarHBondContact O-N 3.1Å; M290-V292 VanDerWaalsContact C-N 3.31Å; M290-V292 PolarHBondContact O-N 2.82Å; V292-A294 PolarHBondContact O-N 3.15Å; V292-A294 VanDerWaalsContact O-N 3.08Å; V292-N295 CarbonylContact O-C 3.6Å; V292-N295 PolarHBondContact O-N 3.39Å; V292-T296 WeakPolarHBondContact O-CG2 3.43Å; V292-F359 HydrophobicContact CG2-CE1 4.3Å; V292-F362 HydrophobicContact CG1-CE1 4.43Å; V292-F362 HydrophobicContact CG1-CE2 3.73Å; V292-F362 HydrophobicContact CG1-CZ 3.54Å; V292-F362 HydrophobicContact CG2-CE2 4.44Å; V292-Y381 HydrophobicContact CG2-CD1 4.38Å; V292-A384 HydrophobicContact CB-CB 4.24Å; V292-A384 HydrophobicContact CG1-CB 3.81Å
293	Q	95.8	Very high	94.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-65.3	-18.6	-171.1	-64.1	-178.9	49.5	0	0	114.5	R94 L100 M289 M290 S291 R446 M450	R94-Q293 HydrophobicContact CG-CB 4.28Å; L100-Q293 HydrophobicContact CD2-CB 4.37Å; M289-Q293 WeakPolarHBondContact O-CG 3.03Å; M289-Q293 PolarHBondContact O-NE2 2.75Å; M290-Q293 PolarHBondContact O-N 2.88Å; S291-Q293 VanDerWaalsContact C-N 3.26Å; S291-Q293 PolarHBondContact O-N 3.3Å; Q293-R446 HydrophobicContact CG-CG 4.46Å; Q293-M450 PolarHBondContact NE2-SD 2.79Å; Q293-M450 VanDerWaalsContact NE2-SD 3.45Å
294	A	93.1	Very high	94.7	Very high	12 Å²	12	42.3 Å²	42.3	10%	0.099	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-111.2	-4.7	175.8	0	0	0	0	0	113.7	L92 D93 S291 V292	L92-A294 HydrophobicContact CB-CB 3.59Å; L92-A294 HydrophobicContact CD1-CB 4.39Å; L92-A294 HydrophobicContact CG-CB 4.41Å; D93-A294 WeakPolarHBondContact O-CA 3.24Å; D93-A294 VanDerWaalsContact O-CB 3.28Å; D93-A294 WeakPolarHBondContact O-CB 3.34Å; S291-A294 PolarHBondContact O-N 3.27Å; V292-A294 PolarHBondContact O-N 3.15Å; V292-A294 VanDerWaalsContact O-N 3.08Å
295	N	94.9	Very high	94.9	Very high	68 Å²	68	36.7 Å²	36.7	36%	0.364	22%	0.221	S	C	.	.			trans	-116.3	42.5	-179	-69.2	-78.1	0	0	0	110.8	S291 V292 G297 F359 F362	S291-N295 WeakPolarHBondContact O-CB 3.41Å; S291-N295 PolarHBondContact O-N 2.76Å; S291-N295 PolarHBondContact O-ND2 3.12Å; V292-N295 CarbonylContact O-C 3.6Å; V292-N295 PolarHBondContact O-N 3.39Å; N295-G297 VanDerWaalsContact C-N 3.25Å; N295-G297 PolarHBondContact O-N 2.96Å; N295-F359 HydrophobicContact CB-CB 3.94Å; N295-F359 HydrophobicContact CB-CD1 3.32Å; N295-F359 HydrophobicContact CB-CD2 4.3Å; N295-F359 HydrophobicContact CB-CE1 3.85Å; N295-F359 HydrophobicContact CB-CG 3.59Å; N295-F362 VanDerWaalsContact O-CD2 3.3Å; N295-F362 WeakPolarHBondContact O-CD2 3.29Å
296	T	92.2	Very high	95.2	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.025	22%	0.219	C	C	.	.			trans	-86.6	16.9	-177.3	66.5	0	0	0	0	113.7	V292 K303 F362 D386	V292-T296 WeakPolarHBondContact O-CG2 3.43Å; T296-K303 PolarHBondContact O-NZ 3.18Å; T296-F362 WeakPolarHBondContact O-CB 3.02Å; T296-D386 WeakPolarHBondContact CB-OD1 3.33Å; T296-D386 WeakPolarHBondContact CB-OD2 2.92Å; T296-D386 HydrophobicContact CG2-CB 4.25Å; T296-D386 VanDerWaalsContact O-OD1 3.11Å; T296-D386 PolarHBondContact OG1-OD2 2.82Å; T296-D386 VanDerWaalsContact OG1-OD2 3.06Å
297	G	86.4	Confident	95.5	Very high	17 Å²	17	31.9 Å²	31.9	18%	0.175	19%	0.188	C	C	.	.			trans	71.3	-160.9	178.8	0	0	0	0	0	113.7	R95 N295	R95-G297 PolarHBondContact NH1-O 3.35Å; N295-G297 VanDerWaalsContact C-N 3.25Å; N295-G297 PolarHBondContact O-N 2.96Å
298	P	93.6	Very high	95.7	Very high	33 Å²	33	30 Å²	30	21%	0.214	18%	0.178	C	C	.	.	S	Bend	trans	-70.5	163.3	-177.7	33.3	-36.5	0	0	0	111.5	E302 K303	P298-E302 HydrophobicContact CB-CB 3.9Å; P298-E302 HydrophobicContact CG-CB 4.39Å; P298-K303 HydrophobicContact CG-CG 4.13Å; P298-K303 WeakPolarHBondContact O-CE 3.29Å; P298-K303 PolarHBondContact O-NZ 3.07Å
299	P	93.6	Very high	95.8	Very high	68 Å²	68	29.9 Å²	29.9	44%	0.442	18%	0.177	S	C	.	.			trans	-52.3	150.5	173.8	-24.9	34.5	0	0	0	112.3	P301 E302 K303	P299-P301 VanDerWaalsContact C-CD 3.41Å; P299-P301 VanDerWaalsContact C-N 3.34Å; P299-P301 VanDerWaalsContact O-N 3.1Å; P299-E302 WeakPolarHBondContact O-CB 3.49Å; P299-E302 PolarHBondContact O-N 3.29Å; P299-K303 PolarHBondContact O-N 3.14Å
300	W	95.9	Very high	95.9	Very high	12 Å²	12	31.1 Å²	31.1	5%	0.045	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-44	-46.6	-176.3	179.5	-88.3	0	0	0	115.4	E302 K303 K365 D386 V388 D431 A434 R435 A438	W300-E302 PolarHBondContact O-N 2.81Å; W300-K303 HydrophobicContact CE3-CD 4.31Å; W300-K303 PolarHBondContact O-N 2.02Å; W300-K365 HydrophobicContact CH2-CB 4.19Å; W300-K365 HydrophobicContact CH2-CG 4.4Å; W300-K365 HydrophobicContact CZ2-CB 4.39Å; W300-K365 HydrophobicContact CZ2-CD 3.98Å; W300-K365 HydrophobicContact CZ2-CG 4.25Å; W300-K365 WeakPolarHBondContact O-CE 3.49Å; W300-D386 WeakPolarHBondContact CZ3-O 3.39Å; W300-V388 HydrophobicContact CH2-CB 4.35Å; W300-V388 HydrophobicContact CH2-CG1 4.25Å; W300-D431 VanDerWaalsContact NE1-CG 3.31Å; W300-D431 PolarHBondContact NE1-OD1 2.77Å; W300-D431 PolarHBondContact NE1-OD2 2.82Å; W300-A434 HydrophobicContact CH2-CB 4.37Å; W300-A434 HydrophobicContact CZ2-CB 4.24Å; W300-R435 HydrophobicContact CD2-CB 3.95Å; W300-R435 HydrophobicContact CD2-CG 3.78Å; W300-R435 HydrophobicContact CE3-CB 4.34Å; W300-R435 HydrophobicContact CE3-CG 4.07Å; W300-R435 HydrophobicContact CG-CB 4.45Å; W300-R435 HydrophobicContact CG-CG 4.01Å; W300-R435 HydrophobicContact CH2-CB 4.2Å; W300-R435 HydrophobicContact CZ2-CB 3.79Å; W300-R435 HydrophobicContact CZ3-CB 4.45Å; W300-A438 HydrophobicContact CZ3-CB 4.02Å
301	P	96.4	Very high	95.9	Very high	100 Å²	100	30.9 Å²	30.9	65%	0.649	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-63.3	-23.7	-179.9	-22.7	35.7	0	0	0	114.7	P299	P299-P301 VanDerWaalsContact C-CD 3.41Å; P299-P301 VanDerWaalsContact C-N 3.34Å; P299-P301 VanDerWaalsContact O-N 3.1Å
302	E	97	Very high	95.9	Very high	141 Å²	141	36.6 Å²	36.6	66%	0.659	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-95.2	-8.4	-177.4	-67.2	170.7	-143.4	0	0	112.8	P298 P299 W300	P298-E302 HydrophobicContact CB-CB 3.9Å; P298-E302 HydrophobicContact CG-CB 4.39Å; P299-E302 WeakPolarHBondContact O-CB 3.49Å; P299-E302 PolarHBondContact O-N 3.29Å; W300-E302 PolarHBondContact O-N 2.81Å
303	K	98.1	Very high	95.9	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.039	20%	0.203	C	C	.	.	S	Bend	trans	-68.2	144.4	176.3	-66.3	-175.5	-167.5	-57.2	0	111	T296 P298 P299 W300 A305 F362 K363 K365 D386	T296-K303 PolarHBondContact O-NZ 3.18Å; P298-K303 HydrophobicContact CG-CG 4.13Å; P298-K303 WeakPolarHBondContact O-CE 3.29Å; P298-K303 PolarHBondContact O-NZ 3.07Å; P299-K303 PolarHBondContact O-N 3.14Å; W300-K303 HydrophobicContact CE3-CD 4.31Å; W300-K303 PolarHBondContact O-N 2.02Å; K303-A305 PolarHBondContact O-N 3.24Å; K303-F362 PolarHBondContact NZ-O 3.16Å; K303-K363 CarbonylContact C-O 3.55Å; K303-K363 WeakPolarHBondContact CA-O 3.49Å; K303-K365 HydrophobicContact CB-CG 3.53Å; K303-K365 HydrophobicContact CD-CG 4.27Å; K303-D386 WeakPolarHBondContact CE-OD1 2.96Å; K303-D386 VanDerWaalsContact CE-OD2 3.3Å; K303-D386 WeakPolarHBondContact CE-OD2 3.41Å; K303-D386 IonicContact NZ-OD1 2.86Å; K303-D386 PolarHBondContact NZ-OD1 3.46Å; K303-D386 IonicContact NZ-OD2 2.66Å; K303-D386 PolarHBondContact NZ-OD2 3.27Å
304	N	97.8	Very high	95.8	Very high	71 Å²	71	37.3 Å²	37.3	38%	0.38	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131.6	174.5	-172.4	-24.6	0	0	0	110.6	T306 K363 Y364 K365	N304-T306 VanDerWaalsContact C-N 3.3Å; N304-T306 PolarHBondContact O-N 2.88Å; N304-T306 WeakPolarHBondContact OD1-CB 3.23Å; N304-T306 PolarHBondContact OD1-N 2.95Å; N304-T306 PolarHBondContact OD1-OG1 2.83Å; N304-K363 PolarHBondContact N-O 3.23Å; N304-Y364 HydrophobicContact CB-CD1 3.6Å; N304-Y364 HydrophobicContact CB-CE1 3.89Å; N304-Y364 HydrophobicContact CB-CG 4.24Å; N304-Y364 VanDerWaalsContact ND2-CE1 3.33Å; N304-Y364 WeakPolarHBondContact ND2-CE1 3.49Å; N304-Y364 CarbonylContact O-C 3.35Å; N304-Y364 WeakPolarHBondContact O-CA 3.3Å; N304-K365 PolarHBondContact O-N 3.18Å
305	A	97.1	Very high	96	Very high	41 Å²	41	39.1 Å²	39.1	34%	0.339	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	9.7	-179	0	0	0	0	0	114	K303 Y366 R428	K303-A305 PolarHBondContact O-N 3.24Å; A305-Y366 HydrophobicContact CB-CE2 4.12Å; A305-Y366 WeakPolarHBondContact O-CD2 3.3Å; A305-Y366 WeakPolarHBondContact O-CE2 3.39Å; A305-R428 VanDerWaalsContact O-CZ 3.27Å; A305-R428 PolarHBondContact O-NE 2.97Å; A305-R428 PolarHBondContact O-NH2 3.45Å
306	T	97.6	Very high	96	Very high	24 Å²	24	40 Å²	40	15%	0.147	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	139.8	168.6	-56.8	0	0	0	0	110.1	N304 F331 I332 D333 Y364	N304-T306 VanDerWaalsContact C-N 3.3Å; N304-T306 PolarHBondContact O-N 2.88Å; N304-T306 WeakPolarHBondContact OD1-CB 3.23Å; N304-T306 PolarHBondContact OD1-N 2.95Å; N304-T306 PolarHBondContact OD1-OG1 2.83Å; T306-F331 WeakPolarHBondContact CG2-O 3.49Å; T306-I332 VanDerWaalsContact CG2-C 3.49Å; T306-D333 HydrophobicContact CG2-CB 3.8Å; T306-D333 VanDerWaalsContact CG2-N 3.28Å; T306-Y364 WeakPolarHBondContact O-CD1 3.39Å
307	A	98.6	Very high	96.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	135.2	174.9	0	0	0	0	0	111.5	F331 I332 D333 Y366 I368 I424	A307-F331 PolarHBondContact N-O 2.93Å; A307-I332 HydrophobicContact CB-CG1 4.48Å; A307-I332 CarbonylContact O-C 3.57Å; A307-I332 WeakPolarHBondContact O-CA 3.47Å; A307-D333 PolarHBondContact O-N 2.97Å; A307-Y366 CarbonylContact C-O 3.5Å; A307-Y366 WeakPolarHBondContact CA-O 3.45Å; A307-I368 HydrophobicContact CB-CD1 3.8Å; A307-I368 HydrophobicContact CB-CG1 4.02Å; A307-I424 HydrophobicContact CB-CD1 3.55Å; A307-I424 HydrophobicContact CB-CG1 3.89Å; A307-I424 HydrophobicContact CB-CG2 4.46Å
308	F	98.8	Very high	96.9	Very high	3 Å²	3	41.6 Å²	41.6	1%	0.013	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.9	-164.8	-171.3	-105.3	0	0	0	112.7	R310 D333 V356 F361 Y364 Y366 I368	F308-R310 HydrophobicContact CE1-CG 3.95Å; F308-R310 HydrophobicContact CE2-CG 4.29Å; F308-R310 VanDerWaalsContact CE2-CZ 3.48Å; F308-R310 HydrophobicContact CZ-CG 3.55Å; F308-D333 WeakPolarHBondContact CA-O 3.5Å; F308-D333 HydrophobicContact CD2-CB 4.12Å; F308-V356 HydrophobicContact CZ-CG1 4.28Å; F308-V356 HydrophobicContact CZ-CG2 4.42Å; F308-F361 HydrophobicContact CD1-CB 4.33Å; F308-F361 AromaticContact CD1-CD1 3.93Å; F308-F361 HydrophobicContact CD1-CD1 3.93Å; F308-F361 HydrophobicContact CD1-CD2 4.3Å; F308-F361 HydrophobicContact CD1-CE1 4.3Å; F308-F361 AromaticContact CD1-CG 3.93Å; F308-F361 HydrophobicContact CD1-CG 3.93Å; F308-F361 HydrophobicContact CE1-CB 4.42Å; F308-F361 HydrophobicContact CE1-CD1 4.01Å; F308-F361 AromaticContact CE1-CD2 3.65Å; F308-F361 HydrophobicContact CE1-CD2 3.65Å; F308-F361 HydrophobicContact CE1-CE1 4.15Å; F308-F361 AromaticContact CE1-CE2 3.8Å; F308-F361 HydrophobicContact CE1-CE2 3.8Å; F308-F361 AromaticContact CE1-CG 3.76Å; F308-F361 HydrophobicContact CE1-CG 3.76Å; F308-F361 HydrophobicContact CE1-CZ 4.05Å; F308-Y364 HydrophobicContact CB-CD1 3.83Å; F308-Y364 HydrophobicContact CB-CD2 3.79Å; F308-Y364 HydrophobicContact CB-CE1 4.43Å; F308-Y364 HydrophobicContact CB-CE2 4.4Å; F308-Y364 HydrophobicContact CB-CG 3.48Å; F308-Y364 VanDerWaalsContact CB-CG 3.48Å; F308-Y364 AromaticContact CD1-CD2 3.94Å; F308-Y364 HydrophobicContact CD1-CD2 3.94Å; F308-Y364 HydrophobicContact CD1-CE2 4.21Å; F308-Y364 HydrophobicContact CD2-CD1 4.02Å; F308-Y364 AromaticContact CD2-CD2 3.7Å; F308-Y364 HydrophobicContact CD2-CD2 3.7Å; F308-Y364 AromaticContact CD2-CE1 3.76Å; F308-Y364 HydrophobicContact CD2-CE1 3.76Å; F308-Y364 AromaticContact CD2-CE2 3.42Å; F308-Y364 HydrophobicContact CD2-CE2 3.42Å; F308-Y364 VanDerWaalsContact CD2-CE2 3.42Å; F308-Y364 HydrophobicContact CD2-CG 4.01Å; F308-Y364 AromaticContact CD2-CZ 3.46Å; F308-Y364 VanDerWaalsContact CD2-CZ 3.46Å; F308-Y364 HydrophobicContact CE1-CD2 4.45Å; F308-Y364 HydrophobicContact CE1-CE2 4.35Å; F308-Y364 HydrophobicContact CE2-CD2 4.23Å; F308-Y364 HydrophobicContact CE2-CE1 4.41Å; F308-Y364 AromaticContact CE2-CE2 3.58Å; F308-Y364 HydrophobicContact CE2-CE2 3.58Å; F308-Y364 AromaticContact CE2-CZ 3.69Å; F308-Y364 HydrophobicContact CG-CD1 4.16Å; F308-Y364 AromaticContact CG-CD2 3.52Å; F308-Y364 HydrophobicContact CG-CD2 3.52Å; F308-Y364 HydrophobicContact CG-CE1 4.35Å; F308-Y364 AromaticContact CG-CE2 3.75Å; F308-Y364 HydrophobicContact CG-CE2 3.75Å; F308-Y364 AromaticContact CG-CG 3.76Å; F308-Y364 HydrophobicContact CG-CG 3.76Å; F308-Y364 HydrophobicContact CZ-CE2 4.05Å; F308-Y366 PolarHBondContact N-O 2.8Å; F308-I368 PolarHBondContact O-N 3.41Å; F308-I368 VanDerWaalsContact O-N 3.11Å
309	W	98.7	Very high	97.1	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	141.1	171.7	-174.2	85.1	0	0	0	112.3	G311 R318 L321 V322 D333 A334 A335 F336 I368	W309-G311 VanDerWaalsContact CH2-C 3.44Å; W309-G311 VanDerWaalsContact CH2-CA 3.45Å; W309-R318 HydrophobicContact CH2-CB 4.12Å; W309-R318 HydrophobicContact CH2-CG 4.29Å; W309-R318 HydrophobicContact CZ2-CB 4.26Å; W309-R318 HydrophobicContact CZ2-CG 3.93Å; W309-L321 HydrophobicContact CB-CD2 3.72Å; W309-L321 HydrophobicContact CD2-CD2 3.64Å; W309-L321 HydrophobicContact CE3-CD2 3.97Å; W309-L321 HydrophobicContact CG-CD2 3.53Å; W309-V322 HydrophobicContact CE3-CG2 4.36Å; W309-V322 HydrophobicContact CZ3-CG2 3.99Å; W309-D333 PolarHBondContact N-O 3.37Å; W309-A334 HydrophobicContact CB-CB 3.89Å; W309-A334 HydrophobicContact CE3-CB 4.18Å; W309-A334 WeakPolarHBondContact O-CA 3.42Å; W309-A335 WeakPolarHBondContact CZ3-O 3.42Å; W309-A335 PolarHBondContact O-N 3.23Å; W309-F336 AromaticContact CH2-CD1 3.88Å; W309-F336 HydrophobicContact CH2-CD1 3.88Å; W309-F336 AromaticContact CH2-CE1 3.67Å; W309-F336 HydrophobicContact CH2-CE1 3.67Å; W309-F336 AromaticContact CZ3-CD1 3.88Å; W309-F336 HydrophobicContact CZ3-CD1 3.88Å; W309-F336 AromaticContact CZ3-CE1 3.85Å; W309-F336 HydrophobicContact CZ3-CE1 3.85Å; W309-I368 HydrophobicContact CB-CB 4.28Å; W309-I368 VanDerWaalsContact CD1-O 3.29Å
310	R	98.3	Very high	97.3	Very high	32 Å²	32	40.7 Å²	40.7	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.3	165.2	-64	-67.9	-176.5	-94.4	4.6	109.5	F308 D333 T337 V356 F361	F308-R310 HydrophobicContact CE1-CG 3.95Å; F308-R310 HydrophobicContact CE2-CG 4.29Å; F308-R310 VanDerWaalsContact CE2-CZ 3.48Å; F308-R310 HydrophobicContact CZ-CG 3.55Å; R310-D333 IonicContact CZ-OD1 3.85Å; R310-D333 IonicContact CZ-OD2 3.53Å; R310-D333 PolarHBondContact NH1-O 2.83Å; R310-D333 IonicContact NH1-OD1 3.32Å; R310-D333 PolarHBondContact NH1-OD1 2.86Å; R310-D333 IonicContact NH1-OD2 3.18Å; R310-D333 IonicContact NH2-OD1 3.03Å; R310-D333 PolarHBondContact NH2-OD1 3.28Å; R310-D333 IonicContact NH2-OD2 3.82Å; R310-D333 PolarHBondContact NH2-OD2 2.92Å; R310-T337 HydrophobicContact CB-CG2 4.17Å; R310-V356 HydrophobicContact CG-CB 4.38Å; R310-V356 HydrophobicContact CG-CG2 4.02Å; R310-F361 HydrophobicContact CB-CE2 4.41Å; R310-F361 HydrophobicContact CB-CZ 3.91Å
311	G	96.7	Very high	97.4	Very high	7 Å²	7	40.1 Å²	40.1	7%	0.072	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177	-165.8	176.6	0	0	0	0	0	114.1	W309 F336 T337	W309-G311 VanDerWaalsContact CH2-C 3.44Å; W309-G311 VanDerWaalsContact CH2-CA 3.45Å; G311-F336 CarbonylContact O-C 3.6Å; G311-F336 VanDerWaalsContact O-CA 3.29Å; G311-F336 WeakPolarHBondContact O-CA 3.37Å; G311-F336 WeakPolarHBondContact O-CD1 3.39Å; G311-T337 PolarHBondContact O-N 3.21Å; G311-T337 PolarHBondContact O-OG1 3Å
312	R	95.9	Very high	97.5	Very high	124 Å²	124	35.4 Å²	35.4	47%	0.468	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	161	177.6	-61.5	-174.5	-71.5	169	-2.3	111.2	S314 R318 N338	R312-S314 PolarHBondContact O-N 3.45Å; R312-R318 WeakPolarHBondContact O-CD 3.18Å; R312-R318 PolarHBondContact O-NH1 3.46Å; R312-R318 VanDerWaalsContact O-NH1 3.09Å; R312-N338 HydrophobicContact CG-CB 4.21Å
313	D	96.4	Very high	97.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.			trans	-69.5	23	-179.9	67.8	-35.9	0	0	0	115.2	R315 L319 F336 F339 F340 F341 F342	D313-R315 PolarHBondContact O-N 2.93Å; D313-L319 HydrophobicContact CB-CD2 4.02Å; D313-F336 VanDerWaalsContact CA-CE1 3.48Å; D313-F336 HydrophobicContact CB-CD1 4.25Å; D313-F336 HydrophobicContact CB-CE1 3.95Å; D313-F336 HydrophobicContact CB-CZ 4.25Å; D313-F339 HydrophobicContact CB-CD1 3.7Å; D313-F339 HydrophobicContact CB-CE1 3.79Å; D313-F339 HydrophobicContact CB-CG 4.31Å; D313-F339 HydrophobicContact CB-CZ 4.46Å; D313-F339 WeakPolarHBondContact OD1-CA 3.49Å; D313-F339 WeakPolarHBondContact OD2-CD1 3.49Å; D313-F340 PolarHBondContact OD1-N 3.06Å; D313-F340 PolarHBondContact OD2-N 3.06Å; D313-F341 PolarHBondContact OD1-N 3.32Å; D313-F341 PolarHBondContact OD2-N 3.08Å; D313-F342 HydrophobicContact CB-CD2 4.18Å; D313-F342 WeakPolarHBondContact O-CD2 3.02Å; D313-F342 WeakPolarHBondContact O-CE2 3.44Å; D313-F342 PolarHBondContact OD2-N 3Å
314	S	95.6	Very high	97.5	Very high	17 Å²	17	34.5 Å²	34.5	12%	0.119	17%	0.167	C	C	.	.			trans	-70.1	12.6	-170.6	61	0	0	0	0	116.7	R312 R318 F341 G372 T373	R312-S314 PolarHBondContact O-N 3.45Å; S314-R318 PolarHBondContact OG-NH1 3.01Å; S314-F341 VanDerWaalsContact CA-CD2 3.48Å; S314-F341 VanDerWaalsContact CB-CE2 3.47Å; S314-G372 CarbonylContact O-C 3.5Å; S314-G372 WeakPolarHBondContact OG-CA 3.33Å; S314-T373 PolarHBondContact O-N 3.3Å
315	R	95.8	Very high	97.6	Very high	49 Å²	49	31.7 Å²	31.7	19%	0.185	15%	0.152	C	C	.	.	S	Bend	trans	-161.4	150.6	175.1	-141.4	-171.9	-179.8	112.8	-11.5	111.9	D313 E317 R318 L319 D371 G372	D313-R315 PolarHBondContact O-N 2.93Å; R315-E317 VanDerWaalsContact C-N 3.28Å; R315-E317 WeakPolarHBondContact CD-OE2 3.12Å; R315-E317 WeakPolarHBondContact CG-OE2 3.29Å; R315-E317 IonicContact NE-OE2 3.41Å; R315-E317 PolarHBondContact NE-OE2 2.71Å; R315-E317 PolarHBondContact O-N 2.81Å; R315-R318 HydrophobicContact CB-CG 4.25Å; R315-R318 WeakPolarHBondContact O-CB 3.37Å; R315-R318 PolarHBondContact O-N 2.84Å; R315-R318 VanDerWaalsContact O-N 3.09Å; R315-L319 PolarHBondContact O-N 2.87Å; R315-D371 VanDerWaalsContact NH1-CB 3.25Å; R315-D371 IonicContact NH1-OD2 3.95Å; R315-G372 WeakPolarHBondContact CD-O 3.41Å; R315-G372 PolarHBondContact NH1-O 2.98Å
316	Q	96.5	Very high	97.6	Very high	87 Å²	87	35.6 Å²	35.6	41%	0.407	16%	0.158	S	C	.	.	H	α-helix	trans	-59.6	-38.1	179.4	-173	64.3	30	0	0	112.4	R318 L319 Q320	Q316-R318 PolarHBondContact O-N 3.09Å; Q316-L319 VanDerWaalsContact O-CB 3.29Å; Q316-L319 WeakPolarHBondContact O-CB 3.45Å; Q316-L319 PolarHBondContact O-N 3.31Å; Q316-Q320 PolarHBondContact O-N 3.48Å
317	E	97.8	Very high	97.6	Very high	43 Å²	43	37.8 Å²	37.8	20%	0.201	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-28.2	180	-64.6	82.9	176.6	0	0	111.7	R315 Q320 L321 I370 A415 L417	R315-E317 VanDerWaalsContact C-N 3.28Å; R315-E317 WeakPolarHBondContact CD-OE2 3.12Å; R315-E317 WeakPolarHBondContact CG-OE2 3.29Å; R315-E317 IonicContact NE-OE2 3.41Å; R315-E317 PolarHBondContact NE-OE2 2.71Å; R315-E317 PolarHBondContact O-N 2.81Å; E317-Q320 WeakPolarHBondContact O-CB 3.48Å; E317-Q320 PolarHBondContact O-N 2.92Å; E317-L321 PolarHBondContact O-N 3.45Å; E317-I370 HydrophobicContact CB-CG2 4.02Å; E317-A415 WeakPolarHBondContact CG-O 3.47Å; E317-L417 HydrophobicContact CB-CD1 4.28Å; E317-L417 HydrophobicContact CB-CG 4.4Å; E317-L417 VanDerWaalsContact O-CD1 3.23Å; E317-L417 WeakPolarHBondContact O-CD1 3.47Å
318	R	98.2	Very high	97.5	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.045	19%	0.194	C	C	.	.	H	α-helix	trans	-68.9	-36.3	172.3	-61.8	-179.2	172.2	-167.1	2.5	111.6	W309 R312 S314 R315 Q316 Q320 L321 V322 F336 I370 D371 G372	W309-R318 HydrophobicContact CH2-CB 4.12Å; W309-R318 HydrophobicContact CH2-CG 4.29Å; W309-R318 HydrophobicContact CZ2-CB 4.26Å; W309-R318 HydrophobicContact CZ2-CG 3.93Å; R312-R318 WeakPolarHBondContact O-CD 3.18Å; R312-R318 PolarHBondContact O-NH1 3.46Å; R312-R318 VanDerWaalsContact O-NH1 3.09Å; S314-R318 PolarHBondContact OG-NH1 3.01Å; R315-R318 HydrophobicContact CB-CG 4.25Å; R315-R318 WeakPolarHBondContact O-CB 3.37Å; R315-R318 PolarHBondContact O-N 2.84Å; R315-R318 VanDerWaalsContact O-N 3.09Å; Q316-R318 PolarHBondContact O-N 3.09Å; R318-Q320 VanDerWaalsContact C-N 3.33Å; R318-L321 PolarHBondContact O-N 3.04Å; R318-V322 PolarHBondContact O-N 2.95Å; R318-V322 VanDerWaalsContact O-N 3.1Å; R318-F336 HydrophobicContact CB-CE1 4.05Å; R318-F336 HydrophobicContact CB-CZ 4.25Å; R318-F336 WeakPolarHBondContact O-CZ 3.41Å; R318-I370 HydrophobicContact CG-CB 4.25Å; R318-I370 HydrophobicContact CG-CG2 3.68Å; R318-I370 PolarHBondContact NE-O 3.34Å; R318-I370 PolarHBondContact NH2-O 3.23Å; R318-D371 PolarHBondContact NE-O 3.42Å; R318-D371 VanDerWaalsContact NH2-C 3.26Å; R318-D371 PolarHBondContact NH2-O 2.97Å; R318-G372 VanDerWaalsContact NH2-CA 3.29Å; R318-G372 VanDerWaalsContact NH2-N 3.11Å
319	L	97.9	Very high	97.4	Very high	3 Å²	3	46 Å²	46	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-41.5	172.5	-57.9	177.9	0	0	0	110.7	D313 R315 Q316 V322 K323 F336 F339 F342 Y349	D313-L319 HydrophobicContact CB-CD2 4.02Å; R315-L319 PolarHBondContact O-N 2.87Å; Q316-L319 VanDerWaalsContact O-CB 3.29Å; Q316-L319 WeakPolarHBondContact O-CB 3.45Å; Q316-L319 PolarHBondContact O-N 3.31Å; L319-V322 PolarHBondContact O-N 3.2Å; L319-K323 WeakPolarHBondContact O-CG 3.45Å; L319-K323 PolarHBondContact O-N 3.39Å; L319-F336 HydrophobicContact CD2-CE2 3.73Å; L319-F336 HydrophobicContact CD2-CZ 3.6Å; L319-F336 HydrophobicContact CG-CZ 4.41Å; L319-F339 HydrophobicContact CD2-CE1 3.88Å; L319-F339 HydrophobicContact CD2-CZ 4.29Å; L319-F342 HydrophobicContact CD1-CB 4.19Å; L319-F342 HydrophobicContact CD1-CD1 3.68Å; L319-F342 HydrophobicContact CD1-CD2 4.12Å; L319-F342 HydrophobicContact CD1-CE1 4.01Å; L319-F342 HydrophobicContact CD1-CE2 4.44Å; L319-F342 HydrophobicContact CD1-CG 3.73Å; L319-F342 HydrophobicContact CD1-CZ 4.38Å; L319-Y349 HydrophobicContact CB-CE1 3.72Å; L319-Y349 HydrophobicContact CD2-CD1 4.42Å; L319-Y349 HydrophobicContact CD2-CE1 3.93Å; L319-Y349 HydrophobicContact CD2-CE2 4.23Å; L319-Y349 HydrophobicContact CG-CE1 4.33Å
320	Q	97.7	Very high	97.3	Very high	79 Å²	79	49.8 Å²	49.8	37%	0.369	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-42.7	175.3	-68	173.8	-15.1	0	0	111.7	Q316 E317 R318 V322 K323 L324 L417	Q316-Q320 PolarHBondContact O-N 3.48Å; E317-Q320 WeakPolarHBondContact O-CB 3.48Å; E317-Q320 PolarHBondContact O-N 2.92Å; R318-Q320 VanDerWaalsContact C-N 3.33Å; Q320-V322 PolarHBondContact O-N 3.26Å; Q320-K323 PolarHBondContact O-N 2.92Å; Q320-L324 WeakPolarHBondContact O-CB 3.46Å; Q320-L324 PolarHBondContact O-N 3.29Å; Q320-L417 HydrophobicContact CB-CD1 4.37Å
321	L	98.6	Very high	97.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-57	-48.7	175.6	173.6	64.4	0	0	0	111.8	W309 E317 R318 L324 S325 I332 A334 I368 I370 L417 L420	W309-L321 HydrophobicContact CB-CD2 3.72Å; W309-L321 HydrophobicContact CD2-CD2 3.64Å; W309-L321 HydrophobicContact CE3-CD2 3.97Å; W309-L321 HydrophobicContact CG-CD2 3.53Å; E317-L321 PolarHBondContact O-N 3.45Å; R318-L321 PolarHBondContact O-N 3.04Å; L321-L324 WeakPolarHBondContact O-CB 3.42Å; L321-L324 PolarHBondContact O-N 2.77Å; L321-S325 PolarHBondContact O-N 3.29Å; L321-I332 HydrophobicContact CD1-CD1 4.33Å; L321-I332 HydrophobicContact CD1-CG2 3.95Å; L321-A334 HydrophobicContact CD1-CB 4.13Å; L321-A334 HydrophobicContact CD2-CB 3.85Å; L321-A334 HydrophobicContact CG-CB 3.68Å; L321-I368 HydrophobicContact CD1-CD1 3.71Å; L321-I368 HydrophobicContact CD1-CG2 4.42Å; L321-I368 HydrophobicContact CD2-CD1 4.49Å; L321-I368 HydrophobicContact CD2-CG2 4.04Å; L321-I370 HydrophobicContact CB-CD1 3.74Å; L321-I370 HydrophobicContact CD1-CD1 4.46Å; L321-I370 HydrophobicContact CD2-CD1 3.53Å; L321-I370 HydrophobicContact CG-CD1 4.08Å; L321-L417 HydrophobicContact CB-CD1 3.93Å; L321-L420 HydrophobicContact CD1-CD2 3.6Å
322	V	98.4	Very high	97.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	24%	0.24	C	C	.	.	H	α-helix	trans	-67.9	-38.3	-178.5	174.1	0	0	0	0	111.4	W309 R318 L319 Q320 L324 S325 R326 A334 F336 Y349	W309-V322 HydrophobicContact CE3-CG2 4.36Å; W309-V322 HydrophobicContact CZ3-CG2 3.99Å; R318-V322 PolarHBondContact O-N 2.95Å; R318-V322 VanDerWaalsContact O-N 3.1Å; L319-V322 PolarHBondContact O-N 3.2Å; Q320-V322 PolarHBondContact O-N 3.26Å; V322-L324 VanDerWaalsContact C-N 3.32Å; V322-L324 PolarHBondContact O-N 3.27Å; V322-S325 PolarHBondContact O-N 3.46Å; V322-R326 WeakPolarHBondContact O-CG 3.47Å; V322-R326 PolarHBondContact O-N 3.42Å; V322-A334 HydrophobicContact CG2-CB 4.48Å; V322-F336 HydrophobicContact CB-CD2 4.14Å; V322-F336 HydrophobicContact CB-CE2 3.66Å; V322-F336 HydrophobicContact CB-CZ 4.12Å; V322-F336 HydrophobicContact CG1-CD2 4.02Å; V322-F336 HydrophobicContact CG1-CE2 3.97Å; V322-F336 HydrophobicContact CG2-CD1 4.36Å; V322-F336 HydrophobicContact CG2-CD2 3.81Å; V322-F336 HydrophobicContact CG2-CE1 4.06Å; V322-F336 HydrophobicContact CG2-CE2 3.5Å; V322-F336 HydrophobicContact CG2-CG 4.22Å; V322-F336 HydrophobicContact CG2-CZ 3.61Å; V322-Y349 HydrophobicContact CG1-CD1 4.43Å; V322-Y349 VanDerWaalsContact CG1-O 3.28Å; V322-Y349 WeakPolarHBondContact CG1-O 3.4Å
323	K	97.8	Very high	97.5	Very high	85 Å²	85	45.8 Å²	45.8	37%	0.37	23%	0.229	S	C	.	.	H	α-helix	trans	-59.3	-44	170.6	-74.3	179.3	178.4	-175.2	0	111.7	L319 Q320 R326 A327 Y349	L319-K323 WeakPolarHBondContact O-CG 3.45Å; L319-K323 PolarHBondContact O-N 3.39Å; Q320-K323 PolarHBondContact O-N 2.92Å; K323-R326 PolarHBondContact O-N 2.99Å; K323-A327 PolarHBondContact O-N 2.92Å; K323-Y349 HydrophobicContact CD-CE1 4.04Å; K323-Y349 WeakPolarHBondContact CE-OH 3.39Å; K323-Y349 HydrophobicContact CG-CD1 4.04Å; K323-Y349 HydrophobicContact CG-CE1 3.77Å
324	L	97.9	Very high	97.6	Very high	46 Å²	46	46 Å²	46	24%	0.241	23%	0.231	C	C	.	.	H	α-helix	trans	-65.5	-39.2	178.7	-172.7	63.9	0	0	0	112	Q320 L321 V322 A327 R328 I332 L420 L421	Q320-L324 WeakPolarHBondContact O-CB 3.46Å; Q320-L324 PolarHBondContact O-N 3.29Å; L321-L324 WeakPolarHBondContact O-CB 3.42Å; L321-L324 PolarHBondContact O-N 2.77Å; V322-L324 VanDerWaalsContact C-N 3.32Å; V322-L324 PolarHBondContact O-N 3.27Å; L324-A327 PolarHBondContact O-N 3.17Å; L324-R328 PolarHBondContact O-N 3.46Å; L324-I332 HydrophobicContact CB-CD1 4.48Å; L324-I332 HydrophobicContact CD2-CD1 3.68Å; L324-I332 HydrophobicContact CG-CD1 3.83Å; L324-L420 HydrophobicContact CD2-CB 4.48Å; L324-L420 HydrophobicContact CD2-CD2 4.04Å; L324-L421 HydrophobicContact CD1-CD1 3.99Å; L324-L421 HydrophobicContact CD1-CG 4.31Å; L324-L421 HydrophobicContact CD2-CD2 4.29Å; L324-L421 HydrophobicContact CD2-CG 4.17Å; L324-L421 HydrophobicContact CG-CD2 4.4Å; L324-L421 HydrophobicContact CG-CG 4.49Å
325	S	98.4	Very high	97.7	Very high	11 Å²	11	45.8 Å²	45.8	8%	0.077	23%	0.231	C	C	.	.	H	α-helix	trans	-62.6	-41.8	174.3	177.4	0	0	0	0	112.5	L321 V322 A327 R328 P329 I332 A334	L321-S325 PolarHBondContact O-N 3.29Å; V322-S325 PolarHBondContact O-N 3.46Å; S325-A327 VanDerWaalsContact C-N 3.31Å; S325-A327 PolarHBondContact O-N 3.35Å; S325-R328 CarbonylContact O-C 3.53Å; S325-R328 PolarHBondContact O-N 3.44Å; S325-P329 WeakPolarHBondContact O-CA 3.36Å; S325-P329 WeakPolarHBondContact O-CD 3.42Å; S325-I332 PolarHBondContact OG-O 2.92Å; S325-A334 PolarHBondContact OG-N 3.01Å; S325-A334 PolarHBondContact OG-O 2.87Å
326	R	97.6	Very high	97.9	Very high	123 Å²	123	43.6 Å²	43.6	46%	0.464	22%	0.222	S	C	.	.	H	α-helix	trans	-63.2	-37.1	173.6	-72.2	171	62.5	88.3	-9.3	112.8	V322 K323 S347 L348 G350	V322-R326 WeakPolarHBondContact O-CG 3.47Å; V322-R326 PolarHBondContact O-N 3.42Å; K323-R326 PolarHBondContact O-N 2.99Å; R326-S347 PolarHBondContact NH2-O 3.33Å; R326-L348 WeakPolarHBondContact CD-O 3.4Å; R326-L348 PolarHBondContact NE-O 3.49Å; R326-L348 VanDerWaalsContact NE-O 3.09Å; R326-G350 VanDerWaalsContact NH1-N 3.16Å
327	A	97.5	Very high	97.9	Very high	71 Å²	71	40.2 Å²	40.2	59%	0.587	21%	0.207	S	C	*	.	H	α-helix	trans	-74.2	-32	176.8	0	0	0	0	0	112.8	K323 L324 S325	K323-A327 PolarHBondContact O-N 2.92Å; L324-A327 PolarHBondContact O-N 3.17Å; S325-A327 VanDerWaalsContact C-N 3.31Å; S325-A327 PolarHBondContact O-N 3.35Å
328	R	97.5	Very high	97.7	Very high	84 Å²	84	41.9 Å²	41.9	32%	0.317	22%	0.218	S	C	.	.			trans	-133	64.3	-174.7	-63.1	-58.2	-55	-85.2	4.1	112.3	L324 S325 D330 F331 I332 L421	L324-R328 PolarHBondContact O-N 3.46Å; S325-R328 CarbonylContact O-C 3.53Å; S325-R328 PolarHBondContact O-N 3.44Å; R328-D330 WeakPolarHBondContact CA-OD1 3.49Å; R328-D330 IonicContact CZ-OD1 2.64Å; R328-D330 IonicContact CZ-OD2 3.81Å; R328-D330 IonicContact NE-OD1 3.16Å; R328-D330 PolarHBondContact NE-OD1 3.47Å; R328-D330 IonicContact NE-OD2 3.18Å; R328-D330 IonicContact NH2-OD1 3.01Å; R328-D330 IonicContact NH2-OD2 2.95Å; R328-D330 PolarHBondContact NH2-OD2 2.91Å; R328-D330 PolarHBondContact O-N 3.25Å; R328-F331 HydrophobicContact CB-CB 4.33Å; R328-F331 PolarHBondContact O-N 2.82Å; R328-I332 PolarHBondContact O-N 2.77Å; R328-L421 HydrophobicContact CB-CD2 4.28Å; R328-L421 HydrophobicContact CG-CD1 4.04Å; R328-L421 HydrophobicContact CG-CD2 4.46Å
329	P	97.2	Very high	97.6	Very high	90 Å²	90	42.5 Å²	42.5	58%	0.584	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.9	-179.2	28.5	-35.8	0	0	0	112.7	S325 F331	S325-P329 WeakPolarHBondContact O-CA 3.36Å; S325-P329 WeakPolarHBondContact O-CD 3.42Å; P329-F331 PolarHBondContact O-N 3.04Å
330	D	96.3	Very high	97.4	Very high	82 Å²	82	49.9 Å²	49.9	44%	0.439	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-18	171.8	62.1	-45.4	0	0	0	113.2	R328 R428	R328-D330 WeakPolarHBondContact CA-OD1 3.49Å; R328-D330 IonicContact CZ-OD1 2.64Å; R328-D330 IonicContact CZ-OD2 3.81Å; R328-D330 IonicContact NE-OD1 3.16Å; R328-D330 PolarHBondContact NE-OD1 3.47Å; R328-D330 IonicContact NE-OD2 3.18Å; R328-D330 IonicContact NH2-OD1 3.01Å; R328-D330 IonicContact NH2-OD2 2.95Å; R328-D330 PolarHBondContact NH2-OD2 2.91Å; R328-D330 PolarHBondContact O-N 3.25Å; D330-R428 PolarHBondContact O-NH1 2.57Å; D330-R428 VanDerWaalsContact O-NH1 3.13Å; D330-R428 PolarHBondContact O-NH2 2.79Å
331	F	97.7	Very high	97.2	Very high	30 Å²	30	50.4 Å²	50.4	13%	0.132	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-40.6	179.3	-85.9	-113.4	0	0	0	112.8	T306 A307 R328 P329 L421 I424 K425	T306-F331 WeakPolarHBondContact CG2-O 3.49Å; A307-F331 PolarHBondContact N-O 2.93Å; R328-F331 HydrophobicContact CB-CB 4.33Å; R328-F331 PolarHBondContact O-N 2.82Å; P329-F331 PolarHBondContact O-N 3.04Å; F331-L421 HydrophobicContact CB-CD2 3.77Å; F331-L421 HydrophobicContact CD1-CD2 4Å; F331-L421 HydrophobicContact CG-CD2 4.03Å; F331-I424 HydrophobicContact CD1-CB 4.12Å; F331-I424 HydrophobicContact CD1-CG2 3.72Å; F331-I424 HydrophobicContact CE1-CG2 4.35Å; F331-K425 HydrophobicContact CE1-CB 4.09Å
332	I	98.6	Very high	97	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.5	-168.4	-55.4	165.6	0	0	0	110	T306 A307 L321 L324 S325 R328 A334 I368 L420 L421 I424	T306-I332 VanDerWaalsContact CG2-C 3.49Å; A307-I332 HydrophobicContact CB-CG1 4.48Å; A307-I332 CarbonylContact O-C 3.57Å; A307-I332 WeakPolarHBondContact O-CA 3.47Å; L321-I332 HydrophobicContact CD1-CD1 4.33Å; L321-I332 HydrophobicContact CD1-CG2 3.95Å; L324-I332 HydrophobicContact CB-CD1 4.48Å; L324-I332 HydrophobicContact CD2-CD1 3.68Å; L324-I332 HydrophobicContact CG-CD1 3.83Å; S325-I332 PolarHBondContact OG-O 2.92Å; R328-I332 PolarHBondContact O-N 2.77Å; I332-A334 HydrophobicContact CG2-CB 3.66Å; I332-I368 HydrophobicContact CG2-CD1 3.89Å; I332-L420 HydrophobicContact CD1-CD2 3.89Å; I332-L420 HydrophobicContact CD1-CG 4.29Å; I332-L421 HydrophobicContact CD1-CD2 3.79Å; I332-L421 HydrophobicContact CG1-CD2 4.34Å; I332-I424 HydrophobicContact CD1-CD1 4.01Å; I332-I424 HydrophobicContact CG1-CD1 3.57Å
333	D	98.5	Very high	96.7	Very high	47 Å²	47	63.1 Å²	63.1	25%	0.251	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	92	164.1	179.7	5.5	0	0	0	108.5	T306 A307 F308 W309 R310 Y364	T306-D333 HydrophobicContact CG2-CB 3.8Å; T306-D333 VanDerWaalsContact CG2-N 3.28Å; A307-D333 PolarHBondContact O-N 2.97Å; F308-D333 WeakPolarHBondContact CA-O 3.5Å; F308-D333 HydrophobicContact CD2-CB 4.12Å; W309-D333 PolarHBondContact N-O 3.37Å; R310-D333 IonicContact CZ-OD1 3.85Å; R310-D333 IonicContact CZ-OD2 3.53Å; R310-D333 PolarHBondContact NH1-O 2.83Å; R310-D333 IonicContact NH1-OD1 3.32Å; R310-D333 PolarHBondContact NH1-OD1 2.86Å; R310-D333 IonicContact NH1-OD2 3.18Å; R310-D333 IonicContact NH2-OD1 3.03Å; R310-D333 PolarHBondContact NH2-OD1 3.28Å; R310-D333 IonicContact NH2-OD2 3.82Å; R310-D333 PolarHBondContact NH2-OD2 2.92Å; D333-Y364 PolarHBondContact OD2-OH 3.04Å
334	A	98.6	Very high	96.5	Very high	5 Å²	5	62.5 Å²	62.5	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	128	178.4	0	0	0	0	0	111.1	W309 L321 V322 S325 I332	W309-A334 HydrophobicContact CB-CB 3.89Å; W309-A334 HydrophobicContact CE3-CB 4.18Å; W309-A334 WeakPolarHBondContact O-CA 3.42Å; L321-A334 HydrophobicContact CD1-CB 4.13Å; L321-A334 HydrophobicContact CD2-CB 3.85Å; L321-A334 HydrophobicContact CG-CB 3.68Å; V322-A334 HydrophobicContact CG2-CB 4.48Å; S325-A334 PolarHBondContact OG-N 3.01Å; S325-A334 PolarHBondContact OG-O 2.87Å; I332-A334 HydrophobicContact CG2-CB 3.66Å
335	A	98.3	Very high	96.3	Very high	13 Å²	13	63.3 Å²	63.3	11%	0.107	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	154	-179.2	0	0	0	0	0	112.1	W309 V353	W309-A335 WeakPolarHBondContact CZ3-O 3.42Å; W309-A335 PolarHBondContact O-N 3.23Å; A335-V353 HydrophobicContact CB-CB 4.41Å; A335-V353 HydrophobicContact CB-CG1 3.84Å; A335-V353 HydrophobicContact CB-CG2 3.63Å
336	F	98.2	Very high	96.1	Very high	3 Å²	3	68.3 Å²	68.3	1%	0.013	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	138	175.7	-71.1	-59.6	0	0	0	111.9	W309 G311 D313 R318 L319 V322 F339 Y349 L352 V353	W309-F336 AromaticContact CH2-CD1 3.88Å; W309-F336 HydrophobicContact CH2-CD1 3.88Å; W309-F336 AromaticContact CH2-CE1 3.67Å; W309-F336 HydrophobicContact CH2-CE1 3.67Å; W309-F336 AromaticContact CZ3-CD1 3.88Å; W309-F336 HydrophobicContact CZ3-CD1 3.88Å; W309-F336 AromaticContact CZ3-CE1 3.85Å; W309-F336 HydrophobicContact CZ3-CE1 3.85Å; G311-F336 CarbonylContact O-C 3.6Å; G311-F336 VanDerWaalsContact O-CA 3.29Å; G311-F336 WeakPolarHBondContact O-CA 3.37Å; G311-F336 WeakPolarHBondContact O-CD1 3.39Å; D313-F336 VanDerWaalsContact CA-CE1 3.48Å; D313-F336 HydrophobicContact CB-CD1 4.25Å; D313-F336 HydrophobicContact CB-CE1 3.95Å; D313-F336 HydrophobicContact CB-CZ 4.25Å; R318-F336 HydrophobicContact CB-CE1 4.05Å; R318-F336 HydrophobicContact CB-CZ 4.25Å; R318-F336 WeakPolarHBondContact O-CZ 3.41Å; L319-F336 HydrophobicContact CD2-CE2 3.73Å; L319-F336 HydrophobicContact CD2-CZ 3.6Å; L319-F336 HydrophobicContact CG-CZ 4.41Å; V322-F336 HydrophobicContact CB-CD2 4.14Å; V322-F336 HydrophobicContact CB-CE2 3.66Å; V322-F336 HydrophobicContact CB-CZ 4.12Å; V322-F336 HydrophobicContact CG1-CD2 4.02Å; V322-F336 HydrophobicContact CG1-CE2 3.97Å; V322-F336 HydrophobicContact CG2-CD1 4.36Å; V322-F336 HydrophobicContact CG2-CD2 3.81Å; V322-F336 HydrophobicContact CG2-CE1 4.06Å; V322-F336 HydrophobicContact CG2-CE2 3.5Å; V322-F336 HydrophobicContact CG2-CG 4.22Å; V322-F336 HydrophobicContact CG2-CZ 3.61Å; F336-F339 HydrophobicContact CB-CD2 4.34Å; F336-F339 HydrophobicContact CB-CE2 3.83Å; F336-F339 HydrophobicContact CD2-CE1 4.39Å; F336-F339 AromaticContact CD2-CE2 3.46Å; F336-F339 HydrophobicContact CD2-CE2 3.46Å; F336-F339 VanDerWaalsContact CD2-CE2 3.46Å; F336-F339 AromaticContact CD2-CZ 3.35Å; F336-F339 HydrophobicContact CD2-CZ 3.35Å; F336-F339 HydrophobicContact CE2-CE1 4.43Å; F336-F339 HydrophobicContact CE2-CE2 4.25Å; F336-F339 AromaticContact CE2-CZ 3.67Å; F336-F339 HydrophobicContact CE2-CZ 3.67Å; F336-F339 AromaticContact CG-CE2 3.78Å; F336-F339 HydrophobicContact CG-CE2 3.78Å; F336-F339 HydrophobicContact CG-CZ 4.01Å; F336-Y349 HydrophobicContact CD2-CG 4.43Å; F336-Y349 HydrophobicContact CE2-CD1 4Å; F336-Y349 HydrophobicContact CE2-CG 4.13Å; F336-L352 HydrophobicContact CB-CD2 3.88Å; F336-L352 WeakPolarHBondContact O-CA 3.38Å; F336-V353 WeakPolarHBondContact O-CG2 3.28Å; F336-V353 PolarHBondContact O-N 3.43Å
337	T	96.8	Very high	95.9	Very high	15 Å²	15	66.5 Å²	66.5	9%	0.092	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-24.6	170.8	63.5	0	0	0	0	112.5	R310 G311 V353 H355	R310-T337 HydrophobicContact CB-CG2 4.17Å; G311-T337 PolarHBondContact O-N 3.21Å; G311-T337 PolarHBondContact O-OG1 3Å; T337-V353 VanDerWaalsContact CA-O 3.31Å; T337-V353 WeakPolarHBondContact CA-O 3.35Å; T337-V353 HydrophobicContact CG2-CG2 4.29Å; T337-H355 PolarHBondContact OG1-CE1 3.38Å
338	N	95.1	Very high	95.8	Very high	78 Å²	78	66.5 Å²	66.5	42%	0.417	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	158.3	176.5	-156.5	-3.7	0	0	0	110.9	R312	R312-N338 HydrophobicContact CG-CB 4.21Å
339	F	94.9	Very high	95.8	Very high	26 Å²	26	63.7 Å²	63.7	11%	0.114	32%	0.32	C	S	.	.			trans	-114.3	133.5	170.5	-87.7	-97.6	0	0	0	110.4	D313 L319 F336 H344 Y349 L352	D313-F339 HydrophobicContact CB-CD1 3.7Å; D313-F339 HydrophobicContact CB-CE1 3.79Å; D313-F339 HydrophobicContact CB-CG 4.31Å; D313-F339 HydrophobicContact CB-CZ 4.46Å; D313-F339 WeakPolarHBondContact OD1-CA 3.49Å; D313-F339 WeakPolarHBondContact OD2-CD1 3.49Å; L319-F339 HydrophobicContact CD2-CE1 3.88Å; L319-F339 HydrophobicContact CD2-CZ 4.29Å; F336-F339 HydrophobicContact CB-CD2 4.34Å; F336-F339 HydrophobicContact CB-CE2 3.83Å; F336-F339 HydrophobicContact CD2-CE1 4.39Å; F336-F339 AromaticContact CD2-CE2 3.46Å; F336-F339 HydrophobicContact CD2-CE2 3.46Å; F336-F339 VanDerWaalsContact CD2-CE2 3.46Å; F336-F339 AromaticContact CD2-CZ 3.35Å; F336-F339 HydrophobicContact CD2-CZ 3.35Å; F336-F339 HydrophobicContact CE2-CE1 4.43Å; F336-F339 HydrophobicContact CE2-CE2 4.25Å; F336-F339 AromaticContact CE2-CZ 3.67Å; F336-F339 HydrophobicContact CE2-CZ 3.67Å; F336-F339 AromaticContact CG-CE2 3.78Å; F336-F339 HydrophobicContact CG-CE2 3.78Å; F336-F339 HydrophobicContact CG-CZ 4.01Å; F339-H344 HydrophobicContact CB-CB 4.02Å; F339-H344 HydrophobicContact CD1-CB 4.02Å; F339-H344 HydrophobicContact CD2-CB 3.89Å; F339-H344 AromaticContact CD2-CD2 3.44Å; F339-H344 VanDerWaalsContact CD2-CD2 3.44Å; F339-H344 WeakPolarHBondContact CD2-CD2 3.47Å; F339-H344 AromaticContact CD2-CG 3.63Å; F339-H344 HydrophobicContact CE1-CB 4.5Å; F339-H344 HydrophobicContact CE2-CB 4.4Å; F339-H344 AromaticContact CE2-CD2 3.24Å; F339-H344 WeakPolarHBondContact CE2-CD2 3.34Å; F339-H344 AromaticContact CE2-CG 3.93Å; F339-H344 AromaticContact CE2-NE2 3.86Å; F339-H344 HydrophobicContact CG-CB 3.71Å; F339-H344 AromaticContact CZ-CD2 3.78Å; F339-Y349 HydrophobicContact CE1-CD2 4.07Å; F339-Y349 HydrophobicContact CE1-CE2 4.36Å; F339-Y349 AromaticContact CZ-CD2 3.59Å; F339-Y349 HydrophobicContact CZ-CD2 3.59Å; F339-Y349 HydrophobicContact CZ-CE2 4.31Å; F339-Y349 AromaticContact CZ-CG 3.89Å; F339-Y349 HydrophobicContact CZ-CG 3.89Å; F339-L352 HydrophobicContact CD2-CD2 3.73Å; F339-L352 HydrophobicContact CE2-CD2 4.11Å
340	F	93.8	Very high	95.7	Very high	157 Å²	157	59.6 Å²	59.6	69%	0.689	29%	0.294	S	S	*	.	S	Bend	trans	-141	-30.7	177	-173.3	-93.4	0	0	0	113.1	D313	D313-F340 PolarHBondContact OD1-N 3.06Å; D313-F340 PolarHBondContact OD2-N 3.06Å
341	F	93.3	Very high	95.6	Very high	90 Å²	90	59.5 Å²	59.5	40%	0.395	30%	0.298	S	S	.	.	S	Bend	trans	-103.7	-26.9	-169.2	-63	-88.7	0	0	0	113.1	D313 S314	D313-F341 PolarHBondContact OD1-N 3.32Å; D313-F341 PolarHBondContact OD2-N 3.08Å; S314-F341 VanDerWaalsContact CA-CD2 3.48Å; S314-F341 VanDerWaalsContact CB-CE2 3.47Å
342	F	94.8	Very high	95.5	Very high	77 Å²	77	61.7 Å²	61.7	34%	0.338	31%	0.311	S	S	.	.	S	Bend	trans	-124.9	161.6	-179	-63.2	-96	0	0	0	110.4	D313 L319 H344	D313-F342 HydrophobicContact CB-CD2 4.18Å; D313-F342 WeakPolarHBondContact O-CD2 3.02Å; D313-F342 WeakPolarHBondContact O-CE2 3.44Å; D313-F342 PolarHBondContact OD2-N 3Å; L319-F342 HydrophobicContact CD1-CB 4.19Å; L319-F342 HydrophobicContact CD1-CD1 3.68Å; L319-F342 HydrophobicContact CD1-CD2 4.12Å; L319-F342 HydrophobicContact CD1-CE1 4.01Å; L319-F342 HydrophobicContact CD1-CE2 4.44Å; L319-F342 HydrophobicContact CD1-CG 3.73Å; L319-F342 HydrophobicContact CD1-CZ 4.38Å; F342-H344 PolarHBondContact O-N 3.5Å
343	K	92.8	Very high	95.5	Very high	192 Å²	192	63.9 Å²	63.9	84%	0.835	32%	0.324	S	S	*	.			trans	-67.5	124.4	173.4	-173.2	177.2	178.2	-177.7	0	109.5	D345	K343-D345 PolarHBondContact O-N 2.97Å
344	H	92.5	Very high	95.4	Very high	71 Å²	71	70.6 Å²	70.6	33%	0.329	35%	0.351	S	S	.	.			trans	-67.1	124.3	172.6	-175.3	-155.9	0	0	0	110.2	F339 F342	F339-H344 HydrophobicContact CB-CB 4.02Å; F339-H344 HydrophobicContact CD1-CB 4.02Å; F339-H344 HydrophobicContact CD2-CB 3.89Å; F339-H344 AromaticContact CD2-CD2 3.44Å; F339-H344 VanDerWaalsContact CD2-CD2 3.44Å; F339-H344 WeakPolarHBondContact CD2-CD2 3.47Å; F339-H344 AromaticContact CD2-CG 3.63Å; F339-H344 HydrophobicContact CE1-CB 4.5Å; F339-H344 HydrophobicContact CE2-CB 4.4Å; F339-H344 AromaticContact CE2-CD2 3.24Å; F339-H344 WeakPolarHBondContact CE2-CD2 3.34Å; F339-H344 AromaticContact CE2-CG 3.93Å; F339-H344 AromaticContact CE2-NE2 3.86Å; F339-H344 HydrophobicContact CG-CB 3.71Å; F339-H344 AromaticContact CZ-CD2 3.78Å; F342-H344 PolarHBondContact O-N 3.5Å
345	D	93.9	Very high	95.2	Very high	63 Å²	63	77.4 Å²	77.4	34%	0.337	38%	0.382	S	S	.	.			trans	-128.8	97.6	171.6	-175.6	-18.8	0	0	0	108.7	K343 S347 L348 Y349	K343-D345 PolarHBondContact O-N 2.97Å; D345-S347 PolarHBondContact O-N 2.91Å; D345-S347 WeakPolarHBondContact OD1-CB 3.14Å; D345-S347 PolarHBondContact OD1-N 3.18Å; D345-S347 PolarHBondContact OD1-OG 3.23Å; D345-L348 HydrophobicContact CB-CB 4.3Å; D345-L348 HydrophobicContact CB-CD1 4.2Å; D345-L348 HydrophobicContact CB-CG 4.36Å; D345-L348 PolarHBondContact O-N 3.32Å; D345-L348 VanDerWaalsContact O-N 3.11Å; D345-L348 PolarHBondContact OD1-N 2.99Å; D345-L348 WeakPolarHBondContact OD2-CD1 3.15Å; D345-Y349 HydrophobicContact CB-CD2 4.19Å; D345-Y349 HydrophobicContact CB-CE2 4.13Å; D345-Y349 WeakPolarHBondContact O-CD2 3.46Å; D345-Y349 PolarHBondContact O-N 2.62Å
346	E	93.9	Very high	95.1	Very high	117 Å²	117	79.1 Å²	79.1	55%	0.547	39%	0.391	S	S	.	.	H	α-helix	trans	-62.1	-28.2	-176.8	-167.7	174.4	135.9	0	0	112.3	L348 G350	E346-L348 PolarHBondContact O-N 3.49Å; E346-G350 WeakPolarHBondContact O-CA 3.48Å; E346-G350 PolarHBondContact O-N 3.36Å
347	S	95.1	Very high	95	Very high	85 Å²	85	81.8 Å²	81.8	59%	0.594	41%	0.41	S	S	*	.	H	α-helix	trans	-64.9	-34	177.7	78.1	0	0	0	0	111.7	R326 D345	R326-S347 PolarHBondContact NH2-O 3.33Å; D345-S347 PolarHBondContact O-N 2.91Å; D345-S347 WeakPolarHBondContact OD1-CB 3.14Å; D345-S347 PolarHBondContact OD1-N 3.18Å; D345-S347 PolarHBondContact OD1-OG 3.23Å
348	L	95.2	Very high	94.9	Very high	71 Å²	71	82.6 Å²	82.6	37%	0.372	41%	0.413	S	S	.	.	H	α-helix	trans	-88.1	-39.6	179.3	-66.9	-179.9	0	0	0	112.9	R326 D345 E346	R326-L348 WeakPolarHBondContact CD-O 3.4Å; R326-L348 PolarHBondContact NE-O 3.49Å; R326-L348 VanDerWaalsContact NE-O 3.09Å; D345-L348 HydrophobicContact CB-CB 4.3Å; D345-L348 HydrophobicContact CB-CD1 4.2Å; D345-L348 HydrophobicContact CB-CG 4.36Å; D345-L348 PolarHBondContact O-N 3.32Å; D345-L348 VanDerWaalsContact O-N 3.11Å; D345-L348 PolarHBondContact OD1-N 2.99Å; D345-L348 WeakPolarHBondContact OD2-CD1 3.15Å; E346-L348 PolarHBondContact O-N 3.49Å
349	Y	96.6	Very high	95	Very high	24 Å²	24	81 Å²	81	9%	0.094	40%	0.402	C	S	.	.	H	α-helix	trans	-111.2	-10.5	-167.9	-54.1	-60.2	0	0	0	114.4	L319 V322 K323 F336 F339 D345	L319-Y349 HydrophobicContact CB-CE1 3.72Å; L319-Y349 HydrophobicContact CD2-CD1 4.42Å; L319-Y349 HydrophobicContact CD2-CE1 3.93Å; L319-Y349 HydrophobicContact CD2-CE2 4.23Å; L319-Y349 HydrophobicContact CG-CE1 4.33Å; V322-Y349 HydrophobicContact CG1-CD1 4.43Å; V322-Y349 VanDerWaalsContact CG1-O 3.28Å; V322-Y349 WeakPolarHBondContact CG1-O 3.4Å; K323-Y349 HydrophobicContact CD-CE1 4.04Å; K323-Y349 WeakPolarHBondContact CE-OH 3.39Å; K323-Y349 HydrophobicContact CG-CD1 4.04Å; K323-Y349 HydrophobicContact CG-CE1 3.77Å; F336-Y349 HydrophobicContact CD2-CG 4.43Å; F336-Y349 HydrophobicContact CE2-CD1 4Å; F336-Y349 HydrophobicContact CE2-CG 4.13Å; F339-Y349 HydrophobicContact CE1-CD2 4.07Å; F339-Y349 HydrophobicContact CE1-CE2 4.36Å; F339-Y349 AromaticContact CZ-CD2 3.59Å; F339-Y349 HydrophobicContact CZ-CD2 3.59Å; F339-Y349 HydrophobicContact CZ-CE2 4.31Å; F339-Y349 AromaticContact CZ-CG 3.89Å; F339-Y349 HydrophobicContact CZ-CG 3.89Å; D345-Y349 HydrophobicContact CB-CD2 4.19Å; D345-Y349 HydrophobicContact CB-CE2 4.13Å; D345-Y349 WeakPolarHBondContact O-CD2 3.46Å; D345-Y349 PolarHBondContact O-N 2.62Å
350	G	94.2	Very high	95.1	Very high	4 Å²	4	82.4 Å²	82.4	4%	0.041	41%	0.411	C	S	.	.			trans	76.2	176.2	-174.9	0	0	0	0	0	113.6	R326 E346	R326-G350 VanDerWaalsContact NH1-N 3.16Å; E346-G350 WeakPolarHBondContact O-CA 3.48Å; E346-G350 PolarHBondContact O-N 3.36Å
351	P	95.2	Very high	95.3	Very high	80 Å²	80	75.4 Å²	75.4	52%	0.519	38%	0.38	S	S	.	.			trans	-65.8	151.4	-179.6	29.2	-35.7	0	0	0	110.5
352	L	96.4	Very high	95.5	Very high	76 Å²	76	71.1 Å²	71.1	40%	0.398	36%	0.361	S	S	.	.			trans	-61.4	138.3	168.3	-69.5	179.4	0	0	0	110.4	F336 F339	F336-L352 HydrophobicContact CB-CD2 3.88Å; F336-L352 WeakPolarHBondContact O-CA 3.38Å; F339-L352 HydrophobicContact CD2-CD2 3.73Å; F339-L352 HydrophobicContact CE2-CD2 4.11Å
353	V	97.1	Very high	95.7	Very high	48 Å²	48	72 Å²	72	29%	0.291	37%	0.365	S	S	.	.			trans	-106.1	156.8	174.6	-58.5	0	0	0	0	111	A335 F336 T337	A335-V353 HydrophobicContact CB-CB 4.41Å; A335-V353 HydrophobicContact CB-CG1 3.84Å; A335-V353 HydrophobicContact CB-CG2 3.63Å; F336-V353 WeakPolarHBondContact O-CG2 3.28Å; F336-V353 PolarHBondContact O-N 3.43Å; T337-V353 VanDerWaalsContact CA-O 3.31Å; T337-V353 WeakPolarHBondContact CA-O 3.35Å; T337-V353 HydrophobicContact CG2-CG2 4.29Å
354	K	96.8	Very high	95.9	Very high	188 Å²	188	64.9 Å²	64.9	82%	0.817	33%	0.333	S	S	*	.			trans	-64.3	154.5	175.1	-68.2	-179.2	179.9	179.2	0	111	V356	K354-V356 PolarHBondContact O-N 2.83Å
355	H	95.1	Very high	96.2	Very high	147 Å²	147	62.4 Å²	62.4	68%	0.681	32%	0.321	S	S	*	.			trans	-56.4	136.6	167.3	-76.8	-84.8	0	0	0	110.4	T337	T337-H355 PolarHBondContact OG1-CE1 3.38Å
356	V	95.4	Very high	96.5	Very high	50 Å²	50	59.5 Å²	59.5	30%	0.303	31%	0.306	S	S	.	.			trans	-104.3	136.4	175.9	176	0	0	0	0	107.5	F308 R310 K354 F358 D360 F361	F308-V356 HydrophobicContact CZ-CG1 4.28Å; F308-V356 HydrophobicContact CZ-CG2 4.42Å; R310-V356 HydrophobicContact CG-CB 4.38Å; R310-V356 HydrophobicContact CG-CG2 4.02Å; K354-V356 PolarHBondContact O-N 2.83Å; V356-F358 PolarHBondContact O-N 2.95Å; V356-D360 HydrophobicContact CG1-CB 3.61Å; V356-F361 HydrophobicContact CB-CE2 4.14Å; V356-F361 HydrophobicContact CG1-CD2 4.18Å; V356-F361 HydrophobicContact CG1-CE2 4.17Å
357	S	95.7	Very high	96.7	Very high	59 Å²	59	54 Å²	54	41%	0.413	28%	0.28	S	S	.	.			trans	-54.3	137.7	173.3	176.4	0	0	0	0	109.5	F359 D360	S357-F359 PolarHBondContact O-N 2.91Å; S357-F359 PolarHBondContact OG-N 3.22Å; S357-D360 WeakPolarHBondContact O-CB 3.33Å; S357-D360 PolarHBondContact O-N 3.16Å
358	F	95.9	Very high	96.9	Very high	32 Å²	32	50.1 Å²	50.1	14%	0.14	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-31.6	179.8	-157.8	-90.2	0	0	0	112	L287 V356 D360 F361 F362 R378 Y381 L382	L287-F358 HydrophobicContact CD1-CB 3.99Å; L287-F358 HydrophobicContact CD1-CD1 3.68Å; L287-F358 HydrophobicContact CD1-CE1 4.47Å; L287-F358 HydrophobicContact CD1-CG 3.99Å; L287-F358 HydrophobicContact CD2-CB 3.86Å; L287-F358 HydrophobicContact CD2-CD1 4.1Å; L287-F358 HydrophobicContact CD2-CD2 4.07Å; L287-F358 HydrophobicContact CD2-CG 3.73Å; V356-F358 PolarHBondContact O-N 2.95Å; F358-D360 VanDerWaalsContact C-N 3.26Å; F358-D360 PolarHBondContact O-N 2.88Å; F358-F361 VanDerWaalsContact O-CB 3.27Å; F358-F361 WeakPolarHBondContact O-CB 3.29Å; F358-F361 PolarHBondContact O-N 3.2Å; F358-F361 VanDerWaalsContact O-N 3.16Å; F358-F362 HydrophobicContact CD1-CE2 4.11Å; F358-F362 HydrophobicContact CD1-CZ 4.11Å; F358-F362 HydrophobicContact CE1-CE2 4.32Å; F358-F362 AromaticContact CE1-CZ 3.84Å; F358-F362 HydrophobicContact CE1-CZ 3.84Å; F358-R378 HydrophobicContact CE2-CB 3.79Å; F358-R378 HydrophobicContact CZ-CB 4Å; F358-Y381 HydrophobicContact CE1-CG 4.33Å; F358-Y381 HydrophobicContact CZ-CD2 4.49Å; F358-L382 HydrophobicContact CE1-CD2 4.05Å; F358-L382 HydrophobicContact CE2-CD2 4.35Å; F358-L382 HydrophobicContact CZ-CD2 3.55Å; F358-L382 HydrophobicContact CZ-CG 3.87Å
359	F	96.8	Very high	97	Very high	44 Å²	44	46.7 Å²	46.7	19%	0.193	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-28	175.1	-55.7	-48.4	0	0	0	113.5	L287 S291 V292 N295 S357 F361 F362	L287-F359 HydrophobicContact CD1-CE1 4.09Å; S291-F359 WeakPolarHBondContact OG-CZ 3.14Å; V292-F359 HydrophobicContact CG2-CE1 4.3Å; N295-F359 HydrophobicContact CB-CB 3.94Å; N295-F359 HydrophobicContact CB-CD1 3.32Å; N295-F359 HydrophobicContact CB-CD2 4.3Å; N295-F359 HydrophobicContact CB-CE1 3.85Å; N295-F359 HydrophobicContact CB-CG 3.59Å; S357-F359 PolarHBondContact O-N 2.91Å; S357-F359 PolarHBondContact OG-N 3.22Å; F359-F361 PolarHBondContact O-N 2.74Å; F359-F362 WeakPolarHBondContact O-CD2 3.28Å; F359-F362 PolarHBondContact O-N 3.38Å
360	D	97.1	Very high	97.1	Very high	56 Å²	56	45.6 Å²	45.6	30%	0.299	23%	0.23	S	C	.	.	H	α-helix	trans	-75.2	-14.6	177.3	-72.7	-30.2	0	0	0	112.7	V356 S357 F358 F362 K363	V356-D360 HydrophobicContact CG1-CB 3.61Å; S357-D360 WeakPolarHBondContact O-CB 3.33Å; S357-D360 PolarHBondContact O-N 3.16Å; F358-D360 VanDerWaalsContact C-N 3.26Å; F358-D360 PolarHBondContact O-N 2.88Å; D360-F362 PolarHBondContact O-N 3.49Å; D360-K363 HydrophobicContact CB-CD 4.35Å; D360-K363 VanDerWaalsContact CG-NZ 3.3Å; D360-K363 WeakPolarHBondContact O-CB 3.42Å; D360-K363 WeakPolarHBondContact O-CG 3.22Å; D360-K363 PolarHBondContact O-N 3.25Å; D360-K363 WeakPolarHBondContact OD1-CE 3.28Å; D360-K363 IonicContact OD1-NZ 2.66Å; D360-K363 PolarHBondContact OD1-NZ 2.81Å; D360-K363 IonicContact OD2-NZ 2.66Å
361	F	97.8	Very high	97.2	Very high	10 Å²	10	45.4 Å²	45.4	4%	0.044	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-39.4	172.5	-79.7	-133	0	0	0	109.8	F308 R310 V356 F358 F359 K363 Y364 Q367 L382	F308-F361 HydrophobicContact CD1-CB 4.33Å; F308-F361 AromaticContact CD1-CD1 3.93Å; F308-F361 HydrophobicContact CD1-CD1 3.93Å; F308-F361 HydrophobicContact CD1-CD2 4.3Å; F308-F361 HydrophobicContact CD1-CE1 4.3Å; F308-F361 AromaticContact CD1-CG 3.93Å; F308-F361 HydrophobicContact CD1-CG 3.93Å; F308-F361 HydrophobicContact CE1-CB 4.42Å; F308-F361 HydrophobicContact CE1-CD1 4.01Å; F308-F361 AromaticContact CE1-CD2 3.65Å; F308-F361 HydrophobicContact CE1-CD2 3.65Å; F308-F361 HydrophobicContact CE1-CE1 4.15Å; F308-F361 AromaticContact CE1-CE2 3.8Å; F308-F361 HydrophobicContact CE1-CE2 3.8Å; F308-F361 AromaticContact CE1-CG 3.76Å; F308-F361 HydrophobicContact CE1-CG 3.76Å; F308-F361 HydrophobicContact CE1-CZ 4.05Å; R310-F361 HydrophobicContact CB-CE2 4.41Å; R310-F361 HydrophobicContact CB-CZ 3.91Å; V356-F361 HydrophobicContact CB-CE2 4.14Å; V356-F361 HydrophobicContact CG1-CD2 4.18Å; V356-F361 HydrophobicContact CG1-CE2 4.17Å; F358-F361 VanDerWaalsContact O-CB 3.27Å; F358-F361 WeakPolarHBondContact O-CB 3.29Å; F358-F361 PolarHBondContact O-N 3.2Å; F358-F361 VanDerWaalsContact O-N 3.16Å; F359-F361 PolarHBondContact O-N 2.74Å; F361-K363 PolarHBondContact O-N 3.41Å; F361-Y364 WeakPolarHBondContact O-CD2 3.12Å; F361-Y364 PolarHBondContact O-N 3.3Å; F361-Q367 PolarHBondContact O-NE2 2.86Å; F361-L382 HydrophobicContact CD1-CD2 4.14Å
362	F	97.8	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	4.1	-177.6	-49.9	-65.1	0	0	0	114.5	V292 N295 T296 K303 F358 F359 D360 Y364 Y381 G385	V292-F362 HydrophobicContact CG1-CE1 4.43Å; V292-F362 HydrophobicContact CG1-CE2 3.73Å; V292-F362 HydrophobicContact CG1-CZ 3.54Å; V292-F362 HydrophobicContact CG2-CE2 4.44Å; N295-F362 VanDerWaalsContact O-CD2 3.3Å; N295-F362 WeakPolarHBondContact O-CD2 3.29Å; T296-F362 WeakPolarHBondContact O-CB 3.02Å; K303-F362 PolarHBondContact NZ-O 3.16Å; F358-F362 HydrophobicContact CD1-CE2 4.11Å; F358-F362 HydrophobicContact CD1-CZ 4.11Å; F358-F362 HydrophobicContact CE1-CE2 4.32Å; F358-F362 AromaticContact CE1-CZ 3.84Å; F358-F362 HydrophobicContact CE1-CZ 3.84Å; F359-F362 WeakPolarHBondContact O-CD2 3.28Å; F359-F362 PolarHBondContact O-N 3.38Å; D360-F362 PolarHBondContact O-N 3.49Å; F362-Y364 PolarHBondContact O-N 3.18Å; F362-Y381 WeakPolarHBondContact CZ-O 3.33Å; F362-G385 VanDerWaalsContact CE1-CA 3.42Å
363	K	97.9	Very high	97.1	Very high	96 Å²	96	39.4 Å²	39.4	42%	0.417	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-12.9	163	-64.3	176.3	-177.1	165.8	0	112.6	K303 N304 D360 F361	K303-K363 CarbonylContact C-O 3.55Å; K303-K363 WeakPolarHBondContact CA-O 3.49Å; N304-K363 PolarHBondContact N-O 3.23Å; D360-K363 HydrophobicContact CB-CD 4.35Å; D360-K363 VanDerWaalsContact CG-NZ 3.3Å; D360-K363 WeakPolarHBondContact O-CB 3.42Å; D360-K363 WeakPolarHBondContact O-CG 3.22Å; D360-K363 PolarHBondContact O-N 3.25Å; D360-K363 WeakPolarHBondContact OD1-CE 3.28Å; D360-K363 IonicContact OD1-NZ 2.66Å; D360-K363 PolarHBondContact OD1-NZ 2.81Å; D360-K363 IonicContact OD2-NZ 2.66Å; F361-K363 PolarHBondContact O-N 3.41Å
364	Y	98.6	Very high	97.1	Very high	42 Å²	42	37.4 Å²	37.4	17%	0.165	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.5	-178	-60.4	-97.3	0	0	0	111	N304 T306 F308 D333 F361 F362 Y366 Q367 S387	N304-Y364 HydrophobicContact CB-CD1 3.6Å; N304-Y364 HydrophobicContact CB-CE1 3.89Å; N304-Y364 HydrophobicContact CB-CG 4.24Å; N304-Y364 VanDerWaalsContact ND2-CE1 3.33Å; N304-Y364 WeakPolarHBondContact ND2-CE1 3.49Å; N304-Y364 CarbonylContact O-C 3.35Å; N304-Y364 WeakPolarHBondContact O-CA 3.3Å; T306-Y364 WeakPolarHBondContact O-CD1 3.39Å; F308-Y364 HydrophobicContact CB-CD1 3.83Å; F308-Y364 HydrophobicContact CB-CD2 3.79Å; F308-Y364 HydrophobicContact CB-CE1 4.43Å; F308-Y364 HydrophobicContact CB-CE2 4.4Å; F308-Y364 HydrophobicContact CB-CG 3.48Å; F308-Y364 VanDerWaalsContact CB-CG 3.48Å; F308-Y364 AromaticContact CD1-CD2 3.94Å; F308-Y364 HydrophobicContact CD1-CD2 3.94Å; F308-Y364 HydrophobicContact CD1-CE2 4.21Å; F308-Y364 HydrophobicContact CD2-CD1 4.02Å; F308-Y364 AromaticContact CD2-CD2 3.7Å; F308-Y364 HydrophobicContact CD2-CD2 3.7Å; F308-Y364 AromaticContact CD2-CE1 3.76Å; F308-Y364 HydrophobicContact CD2-CE1 3.76Å; F308-Y364 AromaticContact CD2-CE2 3.42Å; F308-Y364 HydrophobicContact CD2-CE2 3.42Å; F308-Y364 VanDerWaalsContact CD2-CE2 3.42Å; F308-Y364 HydrophobicContact CD2-CG 4.01Å; F308-Y364 AromaticContact CD2-CZ 3.46Å; F308-Y364 VanDerWaalsContact CD2-CZ 3.46Å; F308-Y364 HydrophobicContact CE1-CD2 4.45Å; F308-Y364 HydrophobicContact CE1-CE2 4.35Å; F308-Y364 HydrophobicContact CE2-CD2 4.23Å; F308-Y364 HydrophobicContact CE2-CE1 4.41Å; F308-Y364 AromaticContact CE2-CE2 3.58Å; F308-Y364 HydrophobicContact CE2-CE2 3.58Å; F308-Y364 AromaticContact CE2-CZ 3.69Å; F308-Y364 HydrophobicContact CG-CD1 4.16Å; F308-Y364 AromaticContact CG-CD2 3.52Å; F308-Y364 HydrophobicContact CG-CD2 3.52Å; F308-Y364 HydrophobicContact CG-CE1 4.35Å; F308-Y364 AromaticContact CG-CE2 3.75Å; F308-Y364 HydrophobicContact CG-CE2 3.75Å; F308-Y364 AromaticContact CG-CG 3.76Å; F308-Y364 HydrophobicContact CG-CG 3.76Å; F308-Y364 HydrophobicContact CZ-CE2 4.05Å; D333-Y364 PolarHBondContact OD2-OH 3.04Å; F361-Y364 WeakPolarHBondContact O-CD2 3.12Å; F361-Y364 PolarHBondContact O-N 3.3Å; F362-Y364 PolarHBondContact O-N 3.18Å; Y364-Y366 VanDerWaalsContact C-N 3.34Å; Y364-Y366 PolarHBondContact O-N 2.91Å; Y364-Q367 PolarHBondContact O-NE2 2.82Å; Y364-S387 WeakPolarHBondContact O-CB 3.47Å; Y364-S387 PolarHBondContact O-OG 3.41Å
365	K	98.6	Very high	97.1	Very high	19 Å²	19	28.7 Å²	28.7	8%	0.083	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-37.7	179.7	-70.9	-174.4	171.2	-174.6	0	112.7	W300 K303 N304 S387 V388 D431	W300-K365 HydrophobicContact CH2-CB 4.19Å; W300-K365 HydrophobicContact CH2-CG 4.4Å; W300-K365 HydrophobicContact CZ2-CB 4.39Å; W300-K365 HydrophobicContact CZ2-CD 3.98Å; W300-K365 HydrophobicContact CZ2-CG 4.25Å; W300-K365 WeakPolarHBondContact O-CE 3.49Å; K303-K365 HydrophobicContact CB-CG 3.53Å; K303-K365 HydrophobicContact CD-CG 4.27Å; N304-K365 PolarHBondContact O-N 3.18Å; K365-S387 CarbonylContact O-C 3.58Å; K365-S387 WeakPolarHBondContact O-CB 3.28Å; K365-V388 WeakPolarHBondContact O-CG1 3.39Å; K365-V388 PolarHBondContact O-N 3.36Å; K365-D431 VanDerWaalsContact NZ-CG 3.29Å; K365-D431 IonicContact NZ-OD1 3.69Å; K365-D431 PolarHBondContact NZ-OD1 2.83Å; K365-D431 IonicContact NZ-OD2 2.98Å; K365-D431 PolarHBondContact NZ-OD2 2.93Å; K365-D431 VanDerWaalsContact NZ-OD2 3.15Å
366	Y	98.8	Very high	97.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	108.4	-164.9	-46.4	-64.8	0	0	0	110.8	A305 A307 F308 Y364 V388 A427 R428	A305-Y366 HydrophobicContact CB-CE2 4.12Å; A305-Y366 WeakPolarHBondContact O-CD2 3.3Å; A305-Y366 WeakPolarHBondContact O-CE2 3.39Å; A307-Y366 CarbonylContact C-O 3.5Å; A307-Y366 WeakPolarHBondContact CA-O 3.45Å; F308-Y366 PolarHBondContact N-O 2.8Å; Y364-Y366 VanDerWaalsContact C-N 3.34Å; Y364-Y366 PolarHBondContact O-N 2.91Å; Y366-V388 HydrophobicContact CD1-CG1 3.46Å; Y366-V388 VanDerWaalsContact CD1-CG1 3.46Å; Y366-V388 HydrophobicContact CE1-CG1 4.07Å; Y366-V388 HydrophobicContact CG-CG1 4.48Å; Y366-A427 HydrophobicContact CD1-CB 3.82Å; Y366-A427 HydrophobicContact CE1-CB 3.46Å; Y366-A427 VanDerWaalsContact CE1-CB 3.46Å; Y366-A427 PolarHBondContact OH-O 2.94Å; Y366-R428 HydrophobicContact CE2-CG 3.78Å; Y366-R428 WeakPolarHBondContact OH-CA 3.38Å; Y366-R428 WeakPolarHBondContact OH-CG 3.33Å
367	Q	98.6	Very high	97.2	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.2	-177.5	-58.7	-58.2	-39.4	0	0	110.7	F361 Y364 L382 V388 V389 L390	F361-Q367 PolarHBondContact O-NE2 2.86Å; Y364-Q367 PolarHBondContact O-NE2 2.82Å; Q367-L382 HydrophobicContact CB-CD1 4.33Å; Q367-L382 HydrophobicContact CB-CD2 4.08Å; Q367-L382 HydrophobicContact CG-CD2 4.15Å; Q367-V388 PolarHBondContact N-O 2.88Å; Q367-V389 CarbonylContact O-C 3.28Å; Q367-V389 WeakPolarHBondContact O-CA 3.32Å; Q367-L390 PolarHBondContact O-N 2.81Å
368	I	98.8	Very high	97.3	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.015	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.3	179.3	-57.9	172.3	0	0	0	109	A307 F308 W309 L321 I332 I370 L420	A307-I368 HydrophobicContact CB-CD1 3.8Å; A307-I368 HydrophobicContact CB-CG1 4.02Å; F308-I368 PolarHBondContact O-N 3.41Å; F308-I368 VanDerWaalsContact O-N 3.11Å; W309-I368 HydrophobicContact CB-CB 4.28Å; W309-I368 VanDerWaalsContact CD1-O 3.29Å; L321-I368 HydrophobicContact CD1-CD1 3.71Å; L321-I368 HydrophobicContact CD1-CG2 4.42Å; L321-I368 HydrophobicContact CD2-CD1 4.49Å; L321-I368 HydrophobicContact CD2-CG2 4.04Å; I332-I368 HydrophobicContact CG2-CD1 3.89Å; I368-I370 HydrophobicContact CG2-CD1 3.95Å; I368-I370 HydrophobicContact CG2-CG1 3.8Å; I368-L420 HydrophobicContact CD1-CD1 4.37Å; I368-L420 HydrophobicContact CD1-CD2 4.24Å; I368-L420 HydrophobicContact CG1-CD1 4.48Å
369	N	98.6	Very high	97.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	100.3	175.8	-172.1	70.3	0	0	0	110.9	A376 R378 L379 L382 V389 L390 Q392	N369-A376 WeakPolarHBondContact OD1-CB 3.35Å; N369-R378 WeakPolarHBondContact OD1-CG 3.31Å; N369-L379 HydrophobicContact CB-CD1 4.29Å; N369-L382 HydrophobicContact CB-CD1 3.97Å; N369-V389 HydrophobicContact CB-CG1 3.8Å; N369-L390 PolarHBondContact N-O 2.93Å; N369-Q392 WeakPolarHBondContact O-CB 3.42Å; N369-Q392 PolarHBondContact O-N 3.29Å
370	I	98.1	Very high	97.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.079	C	C	.	.			trans	-110.2	136.1	175.6	-60.5	175.6	0	0	0	108.8	E317 R318 L321 I368 L417	E317-I370 HydrophobicContact CB-CG2 4.02Å; R318-I370 HydrophobicContact CG-CB 4.25Å; R318-I370 HydrophobicContact CG-CG2 3.68Å; R318-I370 PolarHBondContact NE-O 3.34Å; R318-I370 PolarHBondContact NH2-O 3.23Å; L321-I370 HydrophobicContact CB-CD1 3.74Å; L321-I370 HydrophobicContact CD1-CD1 4.46Å; L321-I370 HydrophobicContact CD2-CD1 3.53Å; L321-I370 HydrophobicContact CG-CD1 4.08Å; I368-I370 HydrophobicContact CG2-CD1 3.95Å; I368-I370 HydrophobicContact CG2-CG1 3.8Å; I370-L417 HydrophobicContact CD1-CD1 3.67Å; I370-L417 HydrophobicContact CD1-CD2 3.8Å; I370-L417 HydrophobicContact CD1-CG 4.38Å; I370-L417 HydrophobicContact CG1-CD2 4.09Å
371	D	97	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.065	C	C	.	.			trans	-55.8	153.8	175.8	-81.6	11.8	0	0	0	112.5	R315 R318 V374 S394	R315-D371 VanDerWaalsContact NH1-CB 3.25Å; R315-D371 IonicContact NH1-OD2 3.95Å; R318-D371 PolarHBondContact NE-O 3.42Å; R318-D371 VanDerWaalsContact NH2-C 3.26Å; R318-D371 PolarHBondContact NH2-O 2.97Å; D371-V374 WeakPolarHBondContact CB-O 3.26Å; D371-S394 WeakPolarHBondContact OD2-CB 3.49Å; D371-S394 PolarHBondContact OD2-OG 2.98Å
372	G	94.8	Very high	97.6	Very high	5 Å²	5	13.9 Å²	13.9	5%	0.052	6%	0.064	C	C	.	.	S	Bend	trans	-97.9	-129.4	168.8	0	0	0	0	0	109.6	S314 R315 R318 V374	S314-G372 CarbonylContact O-C 3.5Å; S314-G372 WeakPolarHBondContact OG-CA 3.33Å; R315-G372 WeakPolarHBondContact CD-O 3.41Å; R315-G372 PolarHBondContact NH1-O 2.98Å; R318-G372 VanDerWaalsContact NH2-CA 3.29Å; R318-G372 VanDerWaalsContact NH2-N 3.11Å; G372-V374 PolarHBondContact N-O 3.49Å; G372-V374 PolarHBondContact O-N 2.9Å
373	T	94.8	Very high	97.6	Very high	25 Å²	25	14 Å²	14	15%	0.153	6%	0.064	C	C	.	.	S	Bend	trans	-51.5	-46.2	166.2	-46.8	0	0	0	0	111.1	D240 W241 S314	D240-T373 HydrophobicContact CB-CG2 3.9Å; W241-T373 HydrophobicContact CD2-CG2 3.94Å; W241-T373 HydrophobicContact CE3-CG2 4.31Å; W241-T373 HydrophobicContact CH2-CG2 3.51Å; W241-T373 HydrophobicContact CZ2-CG2 3.06Å; W241-T373 HydrophobicContact CZ3-CG2 4.1Å; S314-T373 PolarHBondContact O-N 3.3Å
374	V	96.5	Very high	97.6	Very high	6 Å²	6	9.5 Å²	9.5	4%	0.036	4%	0.044	C	C	.	.	S	Bend	trans	-135.6	-160	174.3	-64.2	0	0	0	0	109.9	D240 W241 C259 D371 G372 Y377 Y396	D240-V374 HydrophobicContact CB-CG1 4.38Å; D240-V374 HydrophobicContact CB-CG2 4.29Å; D240-V374 VanDerWaalsContact O-CG1 3.26Å; D240-V374 WeakPolarHBondContact O-CG1 3.3Å; W241-V374 HydrophobicContact CG-CG1 4.49Å; C259-V374 HydrophobicContact CB-CB 4.24Å; C259-V374 HydrophobicContact CB-CG2 4.04Å; D371-V374 WeakPolarHBondContact CB-O 3.26Å; G372-V374 PolarHBondContact N-O 3.49Å; G372-V374 PolarHBondContact O-N 2.9Å; V374-Y377 HydrophobicContact CG2-CE1 4.39Å; V374-Y396 HydrophobicContact CB-CD1 4.09Å; V374-Y396 HydrophobicContact CB-CE1 4.38Å; V374-Y396 HydrophobicContact CB-CG 4.2Å; V374-Y396 HydrophobicContact CG1-CD1 4Å; V374-Y396 HydrophobicContact CG1-CE1 3.8Å; V374-Y396 HydrophobicContact CG1-CG 4.5Å
375	A	96.9	Very high	97.5	Very high	5 Å²	5	7.5 Å²	7.5	4%	0.041	4%	0.037	C	C	.	.	S	Bend	trans	-48.2	141	176.2	0	0	0	0	0	111.7	Y377 E398 Y401	A375-Y377 WeakPolarHBondContact O-CD1 3.44Å; A375-Y377 PolarHBondContact O-N 3.07Å; A375-E398 HydrophobicContact CB-CG 3.85Å; A375-Y401 HydrophobicContact CB-CE2 4.1Å
376	A	96.6	Very high	97.4	Very high	5 Å²	5	7.8 Å²	7.8	4%	0.041	4%	0.039	C	C	.	.			trans	-82.5	106	-176.5	0	0	0	0	0	111.7	N369 R378 L379 Y401	N369-A376 WeakPolarHBondContact OD1-CB 3.35Å; A376-R378 HydrophobicContact CB-CG 4.25Å; A376-R378 PolarHBondContact O-N 2.85Å; A376-L379 WeakPolarHBondContact O-CB 3.27Å; A376-L379 PolarHBondContact O-N 2.95Å; A376-Y401 PolarHBondContact O-OH 3.46Å
377	Y	96.3	Very high	97.4	Very high	27 Å²	27	7.8 Å²	7.8	11%	0.106	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-2.4	-178.8	-58.1	-12	0	0	0	115.2	W258 T271 Y272 D273 V374 A375 L379 P380 Y381 E398	W258-Y377 WeakPolarHBondContact CB-OH 3.46Å; T271-Y377 HydrophobicContact CG2-CD1 3.49Å; T271-Y377 VanDerWaalsContact CG2-CD1 3.49Å; T271-Y377 HydrophobicContact CG2-CD2 4.43Å; T271-Y377 HydrophobicContact CG2-CE1 3.31Å; T271-Y377 HydrophobicContact CG2-CE2 4.28Å; T271-Y377 HydrophobicContact CG2-CG 4.07Å; Y272-Y377 HydrophobicContact CD1-CE2 4.14Å; Y272-Y377 HydrophobicContact CE1-CD2 4.27Å; Y272-Y377 AromaticContact CE1-CE2 3.52Å; Y272-Y377 HydrophobicContact CE1-CE2 3.52Å; Y272-Y377 AromaticContact CZ-CE2 3.77Å; D273-Y377 HydrophobicContact CB-CD2 4.15Å; V374-Y377 HydrophobicContact CG2-CE1 4.39Å; A375-Y377 WeakPolarHBondContact O-CD1 3.44Å; A375-Y377 PolarHBondContact O-N 3.07Å; Y377-L379 VanDerWaalsContact C-N 3.32Å; Y377-P380 WeakPolarHBondContact O-CD 3.44Å; Y377-Y381 WeakPolarHBondContact O-CE2 3.43Å; Y377-E398 HydrophobicContact CD1-CG 4.38Å
378	R	96.8	Very high	97.4	Very high	49 Å²	49	7.7 Å²	7.7	19%	0.185	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.5	169.9	68.4	174.8	62.8	95.7	-3.2	113.7	F358 N369 A376 Y381 L382	F358-R378 HydrophobicContact CE2-CB 3.79Å; F358-R378 HydrophobicContact CZ-CB 4Å; N369-R378 WeakPolarHBondContact OD1-CG 3.31Å; A376-R378 HydrophobicContact CB-CG 4.25Å; A376-R378 PolarHBondContact O-N 2.85Å; R378-Y381 PolarHBondContact O-N 3.28Å; R378-L382 HydrophobicContact CG-CD1 3.94Å; R378-L382 HydrophobicContact CG-CG 4.33Å; R378-L382 WeakPolarHBondContact O-CG 3.45Å; R378-L382 PolarHBondContact O-N 3.45Å
379	L	98.6	Very high	97.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58.3	-43.1	-172.9	-175.8	63	0	0	0	113.5	N369 A376 Y377 Y381 L382 L383 V389 K391 F400 Y401 L404	N369-L379 HydrophobicContact CB-CD1 4.29Å; A376-L379 WeakPolarHBondContact O-CB 3.27Å; A376-L379 PolarHBondContact O-N 2.95Å; Y377-L379 VanDerWaalsContact C-N 3.32Å; L379-Y381 VanDerWaalsContact C-N 3.27Å; L379-Y381 PolarHBondContact O-N 3.38Å; L379-L382 PolarHBondContact O-N 2.61Å; L379-L383 HydrophobicContact CD1-CD1 4.16Å; L379-L383 HydrophobicContact CD1-CD2 4.43Å; L379-L383 HydrophobicContact CD1-CG 3.93Å; L379-L383 HydrophobicContact CD2-CD1 4.39Å; L379-L383 HydrophobicContact CG-CD1 3.87Å; L379-L383 HydrophobicContact CG-CG 4.14Å; L379-L383 WeakPolarHBondContact O-CB 3.21Å; L379-L383 WeakPolarHBondContact O-CG 3.07Å; L379-L383 PolarHBondContact O-N 3.24Å; L379-V389 HydrophobicContact CD1-CG1 3.77Å; L379-K391 HydrophobicContact CD2-CD 3.89Å; L379-K391 HydrophobicContact CD2-CG 4.48Å; L379-F400 HydrophobicContact CD2-CE2 4.29Å; L379-F400 HydrophobicContact CD2-CZ 4.28Å; L379-F400 HydrophobicContact CG-CZ 4.35Å; L379-Y401 HydrophobicContact CB-CE1 4.38Å; L379-Y401 HydrophobicContact CD2-CD1 4.09Å; L379-Y401 HydrophobicContact CD2-CE1 3.41Å; L379-Y401 VanDerWaalsContact CD2-CE1 3.41Å; L379-Y401 HydrophobicContact CD2-CE2 3.99Å; L379-Y401 WeakPolarHBondContact CD2-OH 3.49Å; L379-Y401 HydrophobicContact CG-CE1 4.37Å; L379-L404 HydrophobicContact CD2-CD1 3.91Å
380	P	98.4	Very high	97.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-50.9	-46.6	175.3	-28.3	35.2	0	0	0	113	L274 M289 Y377 L383 A384 F400 L449	L274-P380 HydrophobicContact CD1-CB 4.06Å; L274-P380 HydrophobicContact CD1-CG 4.47Å; L274-P380 HydrophobicContact CD2-CG 4.32Å; M289-P380 HydrophobicContact CE-CB 4.48Å; M289-P380 HydrophobicContact SD-CB 3.88Å; Y377-P380 WeakPolarHBondContact O-CD 3.44Å; P380-L383 PolarHBondContact O-N 2.75Å; P380-A384 WeakPolarHBondContact O-CB 3.26Å; P380-A384 PolarHBondContact O-N 3.03Å; P380-F400 HydrophobicContact CB-CZ 4.5Å; P380-F400 HydrophobicContact CG-CE1 3.75Å; P380-F400 HydrophobicContact CG-CZ 3.74Å; P380-L449 HydrophobicContact CB-CD1 3.95Å
381	Y	98.4	Very high	97.4	Very high	6 Å²	6	8.3 Å²	8.3	2%	0.024	4%	0.042	C	C	.	.	H	α-helix	trans	-74.6	-37.1	-178.3	-46.8	-66	0	0	0	112.5	D273 S277 L287 M289 V292 F358 F362 Y377 R378 L379 L383 A384 G385	D273-Y381 PolarHBondContact O-OH 2.88Å; D273-Y381 WeakPolarHBondContact OD2-CE2 3.41Å; D273-Y381 VanDerWaalsContact OD2-CZ 3.3Å; D273-Y381 PolarHBondContact OD2-OH 3.2Å; S277-Y381 WeakPolarHBondContact CB-OH 3.39Å; L287-Y381 HydrophobicContact CD1-CD1 4.2Å; L287-Y381 HydrophobicContact CD1-CG 4.23Å; L287-Y381 HydrophobicContact CD2-CD2 4.05Å; L287-Y381 HydrophobicContact CD2-CE2 4.26Å; L287-Y381 HydrophobicContact CD2-CG 4.23Å; L287-Y381 HydrophobicContact CG-CD1 4.13Å; L287-Y381 HydrophobicContact CG-CD2 4.45Å; L287-Y381 HydrophobicContact CG-CE1 4.29Å; L287-Y381 HydrophobicContact CG-CG 4.22Å; M289-Y381 HydrophobicContact CG-CE1 4.44Å; M289-Y381 HydrophobicContact SD-CD1 3.67Å; M289-Y381 HydrophobicContact SD-CE1 3.91Å; V292-Y381 HydrophobicContact CG2-CD1 4.38Å; F358-Y381 HydrophobicContact CE1-CG 4.33Å; F358-Y381 HydrophobicContact CZ-CD2 4.49Å; F362-Y381 WeakPolarHBondContact CZ-O 3.33Å; Y377-Y381 WeakPolarHBondContact O-CE2 3.43Å; R378-Y381 PolarHBondContact O-N 3.28Å; L379-Y381 VanDerWaalsContact C-N 3.27Å; L379-Y381 PolarHBondContact O-N 3.38Å; Y381-L383 VanDerWaalsContact C-N 3.31Å; Y381-L383 PolarHBondContact O-N 2.88Å; Y381-A384 PolarHBondContact O-N 2.94Å; Y381-G385 PolarHBondContact O-N 3.25Å
382	L	98.6	Very high	97.5	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-61.1	-43.4	173.8	-68.9	-178.2	0	0	0	111	F358 F361 Q367 N369 R378 L379 G385 V389	F358-L382 HydrophobicContact CE1-CD2 4.05Å; F358-L382 HydrophobicContact CE2-CD2 4.35Å; F358-L382 HydrophobicContact CZ-CD2 3.55Å; F358-L382 HydrophobicContact CZ-CG 3.87Å; F361-L382 HydrophobicContact CD1-CD2 4.14Å; Q367-L382 HydrophobicContact CB-CD1 4.33Å; Q367-L382 HydrophobicContact CB-CD2 4.08Å; Q367-L382 HydrophobicContact CG-CD2 4.15Å; N369-L382 HydrophobicContact CB-CD1 3.97Å; R378-L382 HydrophobicContact CG-CD1 3.94Å; R378-L382 HydrophobicContact CG-CG 4.33Å; R378-L382 WeakPolarHBondContact O-CG 3.45Å; R378-L382 PolarHBondContact O-N 3.45Å; L379-L382 PolarHBondContact O-N 2.61Å; L382-G385 PolarHBondContact O-N 3.06Å; L382-V389 HydrophobicContact CB-CG2 3.81Å
383	L	98.6	Very high	97.6	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.016	7%	0.067	C	C	.	.	H	α-helix	trans	-63.7	-42.8	175.9	-70.6	170.5	0	0	0	111.3	L379 P380 Y381 G385 V389 F400 L404 G441 Q442 A445	L379-L383 HydrophobicContact CD1-CD1 4.16Å; L379-L383 HydrophobicContact CD1-CD2 4.43Å; L379-L383 HydrophobicContact CD1-CG 3.93Å; L379-L383 HydrophobicContact CD2-CD1 4.39Å; L379-L383 HydrophobicContact CG-CD1 3.87Å; L379-L383 HydrophobicContact CG-CG 4.14Å; L379-L383 WeakPolarHBondContact O-CB 3.21Å; L379-L383 WeakPolarHBondContact O-CG 3.07Å; L379-L383 PolarHBondContact O-N 3.24Å; P380-L383 PolarHBondContact O-N 2.75Å; Y381-L383 VanDerWaalsContact C-N 3.31Å; Y381-L383 PolarHBondContact O-N 2.88Å; L383-G385 PolarHBondContact O-N 2.95Å; L383-V389 HydrophobicContact CD2-CG2 4.13Å; L383-F400 HydrophobicContact CD1-CE2 3.76Å; L383-L404 HydrophobicContact CD1-CD1 4.07Å; L383-L404 HydrophobicContact CD1-CD2 3.89Å; L383-G441 CarbonylContact O-C 3.53Å; L383-Q442 WeakPolarHBondContact O-CA 3.3Å; L383-Q442 PolarHBondContact O-N 3.24Å; L383-A445 HydrophobicContact CB-CB 3.87Å
384	A	97.7	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.2	-18.6	179.1	0	0	0	0	0	114.5	M289 V292 P380 Y381 Q442 A445	M289-A384 HydrophobicContact CE-CB 3.6Å; M289-A384 HydrophobicContact SD-CB 4.4Å; V292-A384 HydrophobicContact CB-CB 4.24Å; V292-A384 HydrophobicContact CG1-CB 3.81Å; P380-A384 WeakPolarHBondContact O-CB 3.26Å; P380-A384 PolarHBondContact O-N 3.03Å; Y381-A384 PolarHBondContact O-N 2.94Å; A384-Q442 WeakPolarHBondContact O-CG 2.89Å; A384-Q442 PolarHBondContact O-NE2 3.36Å; A384-Q442 VanDerWaalsContact O-NE2 3.16Å; A384-A445 HydrophobicContact CB-CB 4.09Å
385	G	96.8	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-72.5	-177.4	172.4	0	0	0	0	0	113.7	F362 Y381 L382 L383 Q442	F362-G385 VanDerWaalsContact CE1-CA 3.42Å; Y381-G385 PolarHBondContact O-N 3.25Å; L382-G385 PolarHBondContact O-N 3.06Å; L383-G385 PolarHBondContact O-N 2.95Å; G385-Q442 WeakPolarHBondContact O-CB 3.4Å; G385-Q442 WeakPolarHBondContact O-CG 3.46Å; G385-Q442 PolarHBondContact O-NE2 2.89Å
386	D	95.4	Very high	97.6	Very high	25 Å²	25	16.3 Å²	16.3	13%	0.134	8%	0.084	C	C	.	.	S	Bend	trans	-107.5	18.1	-179.9	70	-10	0	0	0	112.9	T296 W300 K303	T296-D386 WeakPolarHBondContact CB-OD1 3.33Å; T296-D386 WeakPolarHBondContact CB-OD2 2.92Å; T296-D386 HydrophobicContact CG2-CB 4.25Å; T296-D386 VanDerWaalsContact O-OD1 3.11Å; T296-D386 PolarHBondContact OG1-OD2 2.82Å; T296-D386 VanDerWaalsContact OG1-OD2 3.06Å; W300-D386 WeakPolarHBondContact CZ3-O 3.39Å; K303-D386 WeakPolarHBondContact CE-OD1 2.96Å; K303-D386 VanDerWaalsContact CE-OD2 3.3Å; K303-D386 WeakPolarHBondContact CE-OD2 3.41Å; K303-D386 IonicContact NZ-OD1 2.86Å; K303-D386 PolarHBondContact NZ-OD1 3.46Å; K303-D386 IonicContact NZ-OD2 2.66Å; K303-D386 PolarHBondContact NZ-OD2 3.27Å
387	S	98.2	Very high	97.7	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	9%	0.086	C	C	.	.	S	Bend	trans	-108.9	146	-178.6	-56.9	0	0	0	0	109.6	Y364 K365	Y364-S387 WeakPolarHBondContact O-CB 3.47Å; Y364-S387 PolarHBondContact O-OG 3.41Å; K365-S387 CarbonylContact O-C 3.58Å; K365-S387 WeakPolarHBondContact O-CB 3.28Å
388	V	98.8	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	133.6	-177.7	68.7	0	0	0	0	110.5	W300 K365 Y366 Q367 I411 A434 I437 A438	W300-V388 HydrophobicContact CH2-CB 4.35Å; W300-V388 HydrophobicContact CH2-CG1 4.25Å; K365-V388 WeakPolarHBondContact O-CG1 3.39Å; K365-V388 PolarHBondContact O-N 3.36Å; Y366-V388 HydrophobicContact CD1-CG1 3.46Å; Y366-V388 VanDerWaalsContact CD1-CG1 3.46Å; Y366-V388 HydrophobicContact CE1-CG1 4.07Å; Y366-V388 HydrophobicContact CG-CG1 4.48Å; Q367-V388 PolarHBondContact N-O 2.88Å; V388-I411 HydrophobicContact CG1-CD1 4.24Å; V388-I411 HydrophobicContact CG2-CD1 3.7Å; V388-I411 HydrophobicContact CG2-CG1 3.85Å; V388-A434 HydrophobicContact CG1-CB 4.31Å; V388-I437 HydrophobicContact CG2-CB 4.11Å; V388-I437 HydrophobicContact CG2-CG2 3.79Å; V388-A438 HydrophobicContact CB-CB 3.95Å
389	V	98.9	Very high	97.9	Very high	2 Å²	2	14 Å²	14	1%	0.012	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.2	178.4	-175.7	0	0	0	0	110.3	Q367 N369 L379 L382 L383 K391 Y410 I411	Q367-V389 CarbonylContact O-C 3.28Å; Q367-V389 WeakPolarHBondContact O-CA 3.32Å; N369-V389 HydrophobicContact CB-CG1 3.8Å; L379-V389 HydrophobicContact CD1-CG1 3.77Å; L382-V389 HydrophobicContact CB-CG2 3.81Å; L383-V389 HydrophobicContact CD2-CG2 4.13Å; V389-K391 HydrophobicContact CG1-CB 4.31Å; V389-Y410 WeakPolarHBondContact O-CB 3.19Å; V389-I411 PolarHBondContact O-N 3.15Å
390	L	98.9	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	99.1	164.5	-67.4	94	0	0	0	108.2	Q367 N369 I411 I413 L420 K423 I424	Q367-L390 PolarHBondContact O-N 2.81Å; N369-L390 PolarHBondContact N-O 2.93Å; L390-I411 CarbonylContact C-O 3.59Å; L390-I411 VanDerWaalsContact CA-O 3.28Å; L390-I411 WeakPolarHBondContact CA-O 3.41Å; L390-I411 HydrophobicContact CG-CB 4.32Å; L390-I413 HydrophobicContact CB-CG2 3.98Å; L390-I413 HydrophobicContact CD2-CG2 4.05Å; L390-L420 HydrophobicContact CD2-CD1 3.91Å; L390-K423 HydrophobicContact CD2-CB 4.03Å; L390-I424 HydrophobicContact CD2-CG1 3.76Å
391	K	98.8	Very high	97.9	Very high	14 Å²	14	14.8 Å²	14.8	6%	0.061	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.9	-173.2	-170.8	-169.3	171.4	-68	0	110.6	L379 V389 Y410 I411 I413	L379-K391 HydrophobicContact CD2-CD 3.89Å; L379-K391 HydrophobicContact CD2-CG 4.48Å; V389-K391 HydrophobicContact CG1-CB 4.31Å; K391-Y410 HydrophobicContact CB-CD2 3.35Å; K391-Y410 HydrophobicContact CB-CE2 3.74Å; K391-Y410 HydrophobicContact CB-CG 3.91Å; K391-Y410 HydrophobicContact CD-CD1 4.35Å; K391-Y410 HydrophobicContact CD-CD2 4.11Å; K391-Y410 HydrophobicContact CD-CE1 4.22Å; K391-Y410 HydrophobicContact CD-CE2 3.93Å; K391-Y410 HydrophobicContact CD-CG 4.3Å; K391-Y410 HydrophobicContact CG-CD2 4.33Å; K391-Y410 HydrophobicContact CG-CE2 4.35Å; K391-I411 PolarHBondContact N-O 2.79Å; K391-I413 PolarHBondContact O-N 2.68Å
392	Q	98.1	Very high	97.7	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.014	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	133.7	172.2	-167.3	-168.9	12.6	0	0	111.3	N369 S394 I413 A415 L417	N369-Q392 WeakPolarHBondContact O-CB 3.42Å; N369-Q392 PolarHBondContact O-N 3.29Å; Q392-S394 PolarHBondContact O-N 3.36Å; Q392-I413 VanDerWaalsContact CA-CG1 3.47Å; Q392-I413 HydrophobicContact CB-CD1 4.34Å; Q392-I413 HydrophobicContact CB-CG1 4.18Å; Q392-A415 PolarHBondContact NE2-O 3.3Å; Q392-L417 HydrophobicContact CG-CD2 4.37Å
393	D	97.6	Very high	97.7	Very high	104 Å²	104	21 Å²	21	56%	0.556	11%	0.109	S	C	*	.	P	Polyproline II helix	trans	-63.3	121	163.3	-177.5	27.2	0	0	0	109	I413 A415	D393-I413 WeakPolarHBondContact CB-O 3.44Å; D393-I413 PolarHBondContact N-O 2.82Å; D393-A415 WeakPolarHBondContact O-CA 3.15Å; D393-A415 WeakPolarHBondContact O-CB 3.45Å
394	S	94.8	Very high	97.7	Very high	21 Å²	21	21.4 Å²	21.4	15%	0.147	11%	0.111	C	C	.	.			trans	-143.7	146.2	-171.6	-178.6	0	0	0	0	110.9	D371 Q392 Y396	D371-S394 WeakPolarHBondContact OD2-CB 3.49Å; D371-S394 PolarHBondContact OD2-OG 2.98Å; Q392-S394 PolarHBondContact O-N 3.36Å; S394-Y396 PolarHBondContact O-N 3.46Å; S394-Y396 PolarHBondContact OG-N 3.21Å
395	S	96.3	Very high	97.7	Very high	40 Å²	40	27.8 Å²	27.8	28%	0.28	14%	0.135	S	C	.	.	S	Bend	trans	-71.2	-17.2	168.7	60.8	0	0	0	0	113.3	S261 N262	S261-S395 CarbonylContact C-O 3.57Å; S261-S395 WeakPolarHBondContact CA-O 3.38Å; S261-S395 WeakPolarHBondContact CB-O 3.11Å; N262-S395 PolarHBondContact N-O 3.2Å; N262-S395 PolarHBondContact OD1-O 3.16Å
396	Y	98.1	Very high	97.8	Very high	41 Å²	41	30.9 Å²	30.9	16%	0.161	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	144.3	-179	-64.5	-69.7	0	0	0	111.6	P242 G260 V374 S394	P242-Y396 HydrophobicContact CG-CE1 4.41Å; G260-Y396 WeakPolarHBondContact O-CA 3.33Å; V374-Y396 HydrophobicContact CB-CD1 4.09Å; V374-Y396 HydrophobicContact CB-CE1 4.38Å; V374-Y396 HydrophobicContact CB-CG 4.2Å; V374-Y396 HydrophobicContact CG1-CD1 4Å; V374-Y396 HydrophobicContact CG1-CE1 3.8Å; V374-Y396 HydrophobicContact CG1-CG 4.5Å; S394-Y396 PolarHBondContact O-N 3.46Å; S394-Y396 PolarHBondContact OG-N 3.21Å
397	Y	98.1	Very high	97.9	Very high	25 Å²	25	34.7 Å²	34.7	10%	0.098	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146	-179.4	60.4	-96.6	0	0	0	112.5	C259 G260 S261 V268	C259-Y397 PolarHBondContact SG-O 3.36Å; G260-Y397 PolarHBondContact N-O 3.47Å; G260-Y397 PolarHBondContact O-N 2.87Å; S261-Y397 VanDerWaalsContact C-CE1 3.4Å; V268-Y397 HydrophobicContact CB-CE2 4.4Å; V268-Y397 HydrophobicContact CG2-CD2 4.22Å; V268-Y397 HydrophobicContact CG2-CE2 3.53Å
398	E	98.3	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.			trans	-92.8	171.2	164.4	-57.3	175.5	-113.3	0	0	109.6	T271 A375 Y377 F400 Y401	T271-E398 HydrophobicContact CG2-CB 4.49Å; T271-E398 HydrophobicContact CG2-CG 3.9Å; T271-E398 WeakPolarHBondContact CG2-OE2 3.33Å; A375-E398 HydrophobicContact CB-CG 3.85Å; Y377-E398 HydrophobicContact CD1-CG 4.38Å; E398-F400 HydrophobicContact CB-CD1 4.04Å; E398-F400 HydrophobicContact CB-CE1 3.82Å; E398-F400 HydrophobicContact CG-CE1 4.46Å; E398-F400 PolarHBondContact O-N 3.31Å; E398-Y401 HydrophobicContact CB-CD1 3.67Å; E398-Y401 HydrophobicContact CB-CE1 3.52Å; E398-Y401 HydrophobicContact CB-CG 4.46Å; E398-Y401 HydrophobicContact CG-CD1 4.21Å; E398-Y401 HydrophobicContact CG-CE1 3.55Å; E398-Y401 PolarHBondContact O-N 3.05Å; E398-Y401 WeakPolarHBondContact OE1-CE1 3.44Å; E398-Y401 PolarHBondContact OE1-OH 2.74Å
399	H	98.4	Very high	98	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.028	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-22.9	-173.1	70.8	-71.7	0	0	0	116.1	Q161 V268 P270 Y457	Q161-H399 WeakPolarHBondContact CB-O 2.97Å; Q161-H399 VanDerWaalsContact CG-O 3.29Å; Q161-H399 WeakPolarHBondContact CG-O 3.45Å; V268-H399 HydrophobicContact CG1-CB 4.09Å; P270-H399 WeakPolarHBondContact CA-ND1 3.47Å; H399-Y457 HydrophobicContact CB-CE1 4.33Å; H399-Y457 HydrophobicContact CB-CE2 4.01Å; H399-Y457 AromaticContact CD2-CD2 3.84Å; H399-Y457 AromaticContact CD2-CE2 3.79Å
400	F	98.3	Very high	98	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-8	-177	68.1	-85.7	0	0	0	114.2	L379 P380 L383 E398 N402 E403 L404 F444 L449	L379-F400 HydrophobicContact CD2-CE2 4.29Å; L379-F400 HydrophobicContact CD2-CZ 4.28Å; L379-F400 HydrophobicContact CG-CZ 4.35Å; P380-F400 HydrophobicContact CB-CZ 4.5Å; P380-F400 HydrophobicContact CG-CE1 3.75Å; P380-F400 HydrophobicContact CG-CZ 3.74Å; L383-F400 HydrophobicContact CD1-CE2 3.76Å; E398-F400 HydrophobicContact CB-CD1 4.04Å; E398-F400 HydrophobicContact CB-CE1 3.82Å; E398-F400 HydrophobicContact CG-CE1 4.46Å; E398-F400 PolarHBondContact O-N 3.31Å; F400-N402 VanDerWaalsContact C-N 3.25Å; F400-N402 PolarHBondContact O-N 3.1Å; F400-E403 PolarHBondContact O-N 3.37Å; F400-E403 VanDerWaalsContact O-N 3.08Å; F400-L404 HydrophobicContact CD2-CD1 4.08Å; F400-L404 HydrophobicContact CD2-CD2 4.31Å; F400-L404 HydrophobicContact CD2-CG 4.09Å; F400-L404 HydrophobicContact CE2-CD1 3.83Å; F400-L404 HydrophobicContact CE2-CD2 4.48Å; F400-L404 HydrophobicContact CE2-CG 4.31Å; F400-F444 HydrophobicContact CB-CE1 4.32Å; F400-F444 HydrophobicContact CB-CZ 4.3Å; F400-F444 AromaticContact CD2-CE1 3.67Å; F400-F444 HydrophobicContact CD2-CE1 3.67Å; F400-F444 HydrophobicContact CD2-CZ 4.28Å; F400-F444 HydrophobicContact CE2-CE1 4.46Å; F400-F444 HydrophobicContact CG-CE1 4.39Å; F400-L449 HydrophobicContact CB-CD2 3.77Å; F400-L449 HydrophobicContact CD1-CD1 4.41Å; F400-L449 HydrophobicContact CD1-CD2 3.76Å; F400-L449 HydrophobicContact CD2-CD1 4.11Å; F400-L449 HydrophobicContact CD2-CD2 4.22Å; F400-L449 HydrophobicContact CE1-CD1 4.32Å; F400-L449 HydrophobicContact CE1-CD2 4.38Å; F400-L449 HydrophobicContact CE2-CD1 3.96Å; F400-L449 HydrophobicContact CG-CD1 4.3Å; F400-L449 HydrophobicContact CG-CD2 3.66Å; F400-L449 HydrophobicContact CZ-CD1 4.07Å
401	Y	98.1	Very high	98	Very high	15 Å²	15	39.9 Å²	39.9	6%	0.059	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-63.1	-32.7	-169.6	-85.6	34.5	0	0	0	112.4	A375 A376 L379 E398 E403 L404	A375-Y401 HydrophobicContact CB-CE2 4.1Å; A376-Y401 PolarHBondContact O-OH 3.46Å; L379-Y401 HydrophobicContact CB-CE1 4.38Å; L379-Y401 HydrophobicContact CD2-CD1 4.09Å; L379-Y401 HydrophobicContact CD2-CE1 3.41Å; L379-Y401 VanDerWaalsContact CD2-CE1 3.41Å; L379-Y401 HydrophobicContact CD2-CE2 3.99Å; L379-Y401 WeakPolarHBondContact CD2-OH 3.49Å; L379-Y401 HydrophobicContact CG-CE1 4.37Å; E398-Y401 HydrophobicContact CB-CD1 3.67Å; E398-Y401 HydrophobicContact CB-CE1 3.52Å; E398-Y401 HydrophobicContact CB-CG 4.46Å; E398-Y401 HydrophobicContact CG-CD1 4.21Å; E398-Y401 HydrophobicContact CG-CE1 3.55Å; E398-Y401 PolarHBondContact O-N 3.05Å; E398-Y401 WeakPolarHBondContact OE1-CE1 3.44Å; E398-Y401 PolarHBondContact OE1-OH 2.74Å; Y401-E403 PolarHBondContact O-N 2.98Å; Y401-L404 HydrophobicContact CD1-CD1 4.4Å; Y401-L404 WeakPolarHBondContact O-CB 3.34Å; Y401-L404 PolarHBondContact O-N 3.26Å
402	N	96	Very high	98	Very high	77 Å²	77	40.7 Å²	40.7	41%	0.412	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-69.4	-13.8	179.9	-76.2	-34.8	0	0	0	113.6	Q161 F400	Q161-N402 PolarHBondContact OE1-ND2 2.84Å; F400-N402 VanDerWaalsContact C-N 3.25Å; F400-N402 PolarHBondContact O-N 3.1Å
403	E	97.2	Very high	98	Very high	60 Å²	60	40.7 Å²	40.7	28%	0.28	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-94.1	-8.7	173.3	-60	-179.7	-104.7	0	0	111.8	F400 Y401 F444 H448	F400-E403 PolarHBondContact O-N 3.37Å; F400-E403 VanDerWaalsContact O-N 3.08Å; Y401-E403 PolarHBondContact O-N 2.98Å; E403-F444 HydrophobicContact CB-CE2 3.73Å; E403-F444 HydrophobicContact CB-CZ 3.86Å; E403-H448 IonicContact OE2-CD2 2.67Å
404	L	98.4	Very high	98	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.063	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-78.5	124.6	175.1	-62.4	176.9	0	0	0	111.5	L379 L383 F400 Y401 H409 Y410 F444	L379-L404 HydrophobicContact CD2-CD1 3.91Å; L383-L404 HydrophobicContact CD1-CD1 4.07Å; L383-L404 HydrophobicContact CD1-CD2 3.89Å; F400-L404 HydrophobicContact CD2-CD1 4.08Å; F400-L404 HydrophobicContact CD2-CD2 4.31Å; F400-L404 HydrophobicContact CD2-CG 4.09Å; F400-L404 HydrophobicContact CE2-CD1 3.83Å; F400-L404 HydrophobicContact CE2-CD2 4.48Å; F400-L404 HydrophobicContact CE2-CG 4.31Å; Y401-L404 HydrophobicContact CD1-CD1 4.4Å; Y401-L404 WeakPolarHBondContact O-CB 3.34Å; Y401-L404 PolarHBondContact O-N 3.26Å; L404-H409 WeakPolarHBondContact CA-ND1 3.3Å; L404-H409 HydrophobicContact CD2-CB 4.07Å; L404-Y410 HydrophobicContact CB-CD1 4.12Å; L404-Y410 HydrophobicContact CB-CE1 3.7Å; L404-F444 HydrophobicContact CD2-CD1 3.45Å; L404-F444 VanDerWaalsContact CD2-CD1 3.45Å; L404-F444 HydrophobicContact CD2-CD2 4.29Å; L404-F444 HydrophobicContact CD2-CE1 3.47Å; L404-F444 VanDerWaalsContact CD2-CE1 3.47Å; L404-F444 HydrophobicContact CD2-CE2 4.28Å; L404-F444 HydrophobicContact CD2-CG 3.91Å; L404-F444 HydrophobicContact CD2-CZ 3.89Å; L404-F444 HydrophobicContact CG-CE1 4.31Å; L404-F444 HydrophobicContact CG-CZ 4.48Å
405	R	98.6	Very high	98.2	Very high	135 Å²	135	42.4 Å²	42.4	51%	0.509	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-100	124.6	178	-63.3	-169.5	-69.1	-106	3.2	111.1	E408 H409	R405-E408 HydrophobicContact CB-CB 4Å; R405-E408 IonicContact CZ-OE1 2.85Å; R405-E408 IonicContact CZ-OE2 2.94Å; R405-E408 IonicContact NE-OE1 2.94Å; R405-E408 IonicContact NE-OE2 3.04Å; R405-E408 PolarHBondContact NE-OE2 2.81Å; R405-E408 VanDerWaalsContact NH2-CD 3.27Å; R405-E408 IonicContact NH2-OE1 3.97Å; R405-E408 PolarHBondContact NH2-OE1 3.09Å; R405-E408 IonicContact NH2-OE2 3.84Å; R405-E408 PolarHBondContact NH2-OE2 2.84Å; R405-E408 PolarHBondContact O-N 3.4Å; R405-H409 PolarHBondContact N-ND1 2.94Å; R405-H409 PolarHBondContact O-N 3.11Å
406	P	98.7	Very high	98.2	Very high	65 Å²	65	45.2 Å²	45.2	42%	0.422	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-62.7	146.1	175.6	27.2	-33.5	0	0	0	110.4	E408 Y410 P412	P406-E408 PolarHBondContact O-N 2.94Å; P406-E408 VanDerWaalsContact O-N 3.09Å; P406-Y410 HydrophobicContact CB-CE2 4.12Å; P406-P412 HydrophobicContact CB-CB 4.12Å; P406-P412 HydrophobicContact CB-CG 3.86Å
407	W	98.7	Very high	98.2	Very high	105 Å²	105	43.7 Å²	43.7	40%	0.398	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	0.9	-174	-57	105.8	0	0	0	115.8	Y410 I411 P412 K423 W426 I437	W407-Y410 WeakPolarHBondContact CA-O 3.03Å; W407-Y410 PolarHBondContact N-O 2.86Å; W407-I411 HydrophobicContact CE3-CG1 4.46Å; W407-I411 HydrophobicContact CH2-CG2 3.88Å; W407-I411 HydrophobicContact CZ3-CG1 4.25Å; W407-I411 HydrophobicContact CZ3-CG2 3.86Å; W407-P412 HydrophobicContact CD2-CG 4.35Å; W407-P412 HydrophobicContact CG-CG 4.48Å; W407-P412 HydrophobicContact CZ2-CG 4.11Å; W407-K423 HydrophobicContact CH2-CD 3.81Å; W407-K423 HydrophobicContact CZ2-CD 4.05Å; W407-W426 HydrophobicContact CE3-CH2 4.08Å; W407-W426 HydrophobicContact CE3-CZ2 4.43Å; W407-W426 HydrophobicContact CE3-CZ3 4.2Å; W407-W426 HydrophobicContact CH2-CD2 4.25Å; W407-W426 HydrophobicContact CH2-CE3 4.25Å; W407-W426 AromaticContact CZ3-CD2 3.87Å; W407-W426 HydrophobicContact CZ3-CD2 3.87Å; W407-W426 AromaticContact CZ3-CE3 3.6Å; W407-W426 HydrophobicContact CZ3-CE3 3.6Å; W407-W426 AromaticContact CZ3-CH2 3.75Å; W407-W426 HydrophobicContact CZ3-CH2 3.75Å; W407-W426 AromaticContact CZ3-CZ2 3.98Å; W407-W426 HydrophobicContact CZ3-CZ2 3.98Å; W407-W426 AromaticContact CZ3-CZ3 3.56Å; W407-W426 HydrophobicContact CZ3-CZ3 3.56Å; W407-I437 HydrophobicContact CE3-CD1 4.24Å; W407-I437 WeakPolarHBondContact O-CG1 3.39Å
408	E	98.7	Very high	98.2	Very high	72 Å²	72	45.6 Å²	45.6	34%	0.336	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-53.7	170.4	-175.2	177.3	160.9	0	0	111.1	R405 P406 S440	R405-E408 HydrophobicContact CB-CB 4Å; R405-E408 IonicContact CZ-OE1 2.85Å; R405-E408 IonicContact CZ-OE2 2.94Å; R405-E408 IonicContact NE-OE1 2.94Å; R405-E408 IonicContact NE-OE2 3.04Å; R405-E408 PolarHBondContact NE-OE2 2.81Å; R405-E408 VanDerWaalsContact NH2-CD 3.27Å; R405-E408 IonicContact NH2-OE1 3.97Å; R405-E408 PolarHBondContact NH2-OE1 3.09Å; R405-E408 IonicContact NH2-OE2 3.84Å; R405-E408 PolarHBondContact NH2-OE2 2.84Å; R405-E408 PolarHBondContact O-N 3.4Å; P406-E408 PolarHBondContact O-N 2.94Å; P406-E408 VanDerWaalsContact O-N 3.09Å; E408-S440 WeakPolarHBondContact O-CB 3.48Å; E408-S440 PolarHBondContact O-OG 3.04Å
409	H	98.8	Very high	98.2	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.056	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-20.3	-178.8	-55	144.9	0	0	0	113.1	L404 R405 S440 G441 F444	L404-H409 WeakPolarHBondContact CA-ND1 3.3Å; L404-H409 HydrophobicContact CD2-CB 4.07Å; R405-H409 PolarHBondContact N-ND1 2.94Å; R405-H409 PolarHBondContact O-N 3.11Å; H409-S440 PolarHBondContact CD2-OG 2.81Å; H409-G441 WeakPolarHBondContact O-CA 3.3Å; H409-F444 AromaticContact CE1-CD2 3.73Å
410	Y	98.9	Very high	98.2	Very high	29 Å²	29	45.9 Å²	45.9	11%	0.114	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-159.9	163.4	-177.8	67	-89	0	0	0	111	V389 K391 L404 P406 W407 P412	V389-Y410 WeakPolarHBondContact O-CB 3.19Å; K391-Y410 HydrophobicContact CB-CD2 3.35Å; K391-Y410 HydrophobicContact CB-CE2 3.74Å; K391-Y410 HydrophobicContact CB-CG 3.91Å; K391-Y410 HydrophobicContact CD-CD1 4.35Å; K391-Y410 HydrophobicContact CD-CD2 4.11Å; K391-Y410 HydrophobicContact CD-CE1 4.22Å; K391-Y410 HydrophobicContact CD-CE2 3.93Å; K391-Y410 HydrophobicContact CD-CG 4.3Å; K391-Y410 HydrophobicContact CG-CD2 4.33Å; K391-Y410 HydrophobicContact CG-CE2 4.35Å; L404-Y410 HydrophobicContact CB-CD1 4.12Å; L404-Y410 HydrophobicContact CB-CE1 3.7Å; P406-Y410 HydrophobicContact CB-CE2 4.12Å; W407-Y410 WeakPolarHBondContact CA-O 3.03Å; W407-Y410 PolarHBondContact N-O 2.86Å; Y410-P412 HydrophobicContact CE2-CB 3.94Å
411	I	98.9	Very high	98.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.5	171.7	-61.1	172.3	0	0	0	108.6	V388 V389 L390 K391 W407 K423 W426 A427 I437	V388-I411 HydrophobicContact CG1-CD1 4.24Å; V388-I411 HydrophobicContact CG2-CD1 3.7Å; V388-I411 HydrophobicContact CG2-CG1 3.85Å; V389-I411 PolarHBondContact O-N 3.15Å; L390-I411 CarbonylContact C-O 3.59Å; L390-I411 VanDerWaalsContact CA-O 3.28Å; L390-I411 WeakPolarHBondContact CA-O 3.41Å; L390-I411 HydrophobicContact CG-CB 4.32Å; K391-I411 PolarHBondContact N-O 2.79Å; W407-I411 HydrophobicContact CE3-CG1 4.46Å; W407-I411 HydrophobicContact CH2-CG2 3.88Å; W407-I411 HydrophobicContact CZ3-CG1 4.25Å; W407-I411 HydrophobicContact CZ3-CG2 3.86Å; I411-K423 HydrophobicContact CG2-CB 4Å; I411-K423 HydrophobicContact CG2-CD 4.3Å; I411-K423 HydrophobicContact CG2-CG 4.31Å; I411-W426 HydrophobicContact CD1-CE3 4.08Å; I411-W426 HydrophobicContact CD1-CZ3 3.8Å; I411-W426 HydrophobicContact CG1-CZ3 4.25Å; I411-A427 HydrophobicContact CD1-CB 3.78Å; I411-I437 HydrophobicContact CG1-CD1 4.13Å; I411-I437 HydrophobicContact CG1-CG2 4.49Å
412	P	98.8	Very high	98.2	Very high	30 Å²	30	52.6 Å²	52.6	20%	0.195	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	139.4	178.4	31.2	-35.9	0	0	0	111.4	P406 W407 Y410	P406-P412 HydrophobicContact CB-CB 4.12Å; P406-P412 HydrophobicContact CB-CG 3.86Å; W407-P412 HydrophobicContact CD2-CG 4.35Å; W407-P412 HydrophobicContact CG-CG 4.48Å; W407-P412 HydrophobicContact CZ2-CG 4.11Å; Y410-P412 HydrophobicContact CE2-CB 3.94Å
413	I	98.6	Very high	98.4	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.015	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.2	169.7	69.1	-177.4	0	0	0	109.5	L390 K391 Q392 D393 L417 L420 K423	L390-I413 HydrophobicContact CB-CG2 3.98Å; L390-I413 HydrophobicContact CD2-CG2 4.05Å; K391-I413 PolarHBondContact O-N 2.68Å; Q392-I413 VanDerWaalsContact CA-CG1 3.47Å; Q392-I413 HydrophobicContact CB-CD1 4.34Å; Q392-I413 HydrophobicContact CB-CG1 4.18Å; D393-I413 WeakPolarHBondContact CB-O 3.44Å; D393-I413 PolarHBondContact N-O 2.82Å; I413-L417 HydrophobicContact CD1-CD2 3.72Å; I413-L417 HydrophobicContact CG1-CD2 4.37Å; I413-L420 HydrophobicContact CD1-CD1 4.02Å; I413-L420 HydrophobicContact CG2-CD1 4.08Å; I413-K423 HydrophobicContact CG2-CB 4.1Å; I413-K423 HydrophobicContact CG2-CG 4.03Å
414	K	98.5	Very high	98.4	Very high	117 Å²	117	47.5 Å²	47.5	51%	0.509	25%	0.247	S	C	.	.			trans	-58.9	150.4	179.1	-74.8	173	-175.7	176	0	111.7	N416 L417 D419	K414-N416 PolarHBondContact O-N 2.86Å; K414-N416 VanDerWaalsContact O-N 3.14Å; K414-L417 PolarHBondContact O-N 3.45Å; K414-D419 WeakPolarHBondContact CB-OD1 3.42Å; K414-D419 HydrophobicContact CD-CB 4.13Å; K414-D419 HydrophobicContact CG-CB 4.45Å; K414-D419 PolarHBondContact N-OD1 2.65Å
415	A	97.3	Very high	98.4	Very high	44 Å²	44	52.2 Å²	52.2	36%	0.364	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-41	176.8	0	0	0	0	0	112.6	E317 Q392 D393 L417	E317-A415 WeakPolarHBondContact CG-O 3.47Å; Q392-A415 PolarHBondContact NE2-O 3.3Å; D393-A415 WeakPolarHBondContact O-CA 3.15Å; D393-A415 WeakPolarHBondContact O-CB 3.45Å; A415-L417 VanDerWaalsContact C-N 3.35Å; A415-L417 PolarHBondContact O-N 2.99Å
416	N	96.6	Very high	98.5	Very high	99 Å²	99	48.8 Å²	48.8	53%	0.529	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	9.2	180	71.1	-6.2	0	0	0	114.9	K414 G418	K414-N416 PolarHBondContact O-N 2.86Å; K414-N416 VanDerWaalsContact O-N 3.14Å; N416-G418 PolarHBondContact O-N 2.89Å; N416-G418 VanDerWaalsContact O-N 3.08Å; N416-G418 PolarHBondContact OD1-N 2.7Å
417	L	98.2	Very high	98.5	Very high	10 Å²	10	45.7 Å²	45.7	5%	0.052	23%	0.234	C	C	.	.			trans	61	11.6	-177.7	-44	179.9	0	0	0	115.7	E317 Q320 L321 I370 Q392 I413 K414 A415 D419 L420	E317-L417 HydrophobicContact CB-CD1 4.28Å; E317-L417 HydrophobicContact CB-CG 4.4Å; E317-L417 VanDerWaalsContact O-CD1 3.23Å; E317-L417 WeakPolarHBondContact O-CD1 3.47Å; Q320-L417 HydrophobicContact CB-CD1 4.37Å; L321-L417 HydrophobicContact CB-CD1 3.93Å; I370-L417 HydrophobicContact CD1-CD1 3.67Å; I370-L417 HydrophobicContact CD1-CD2 3.8Å; I370-L417 HydrophobicContact CD1-CG 4.38Å; I370-L417 HydrophobicContact CG1-CD2 4.09Å; Q392-L417 HydrophobicContact CG-CD2 4.37Å; I413-L417 HydrophobicContact CD1-CD2 3.72Å; I413-L417 HydrophobicContact CG1-CD2 4.37Å; K414-L417 PolarHBondContact O-N 3.45Å; A415-L417 VanDerWaalsContact C-N 3.35Å; A415-L417 PolarHBondContact O-N 2.99Å; L417-D419 PolarHBondContact O-N 2.74Å; L417-L420 HydrophobicContact CB-CB 4.28Å; L417-L420 VanDerWaalsContact O-CB 3.3Å; L417-L420 WeakPolarHBondContact O-CB 3.4Å; L417-L420 PolarHBondContact O-N 3.06Å
418	G	97.9	Very high	98.4	Very high	64 Å²	64	44 Å²	44	66%	0.66	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.3	-173.4	0	0	0	0	0	114.8	N416	N416-G418 PolarHBondContact O-N 2.89Å; N416-G418 VanDerWaalsContact O-N 3.08Å; N416-G418 PolarHBondContact OD1-N 2.7Å
419	D	98.4	Very high	98.4	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.07	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	6.1	176.3	66.1	-17.7	0	0	0	113.4	K414 L417 L421 E422 K423	K414-D419 WeakPolarHBondContact CB-OD1 3.42Å; K414-D419 HydrophobicContact CD-CB 4.13Å; K414-D419 HydrophobicContact CG-CB 4.45Å; K414-D419 PolarHBondContact N-OD1 2.65Å; L417-D419 PolarHBondContact O-N 2.74Å; D419-L421 PolarHBondContact O-N 3.2Å; D419-E422 WeakPolarHBondContact O-CB 3.39Å; D419-E422 PolarHBondContact O-N 3.3Å; D419-E422 VanDerWaalsContact O-N 3.08Å; D419-K423 WeakPolarHBondContact O-CG 3.4Å; D419-K423 PolarHBondContact O-N 2.66Å; D419-K423 VanDerWaalsContact OD2-CE 3.32Å; D419-K423 WeakPolarHBondContact OD2-CE 3.38Å
420	L	98.7	Very high	98.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-45.7	-173.4	175.7	58.4	0	0	0	112.8	L321 L324 I332 I368 L390 I413 L417 E422 K423 I424	L321-L420 HydrophobicContact CD1-CD2 3.6Å; L324-L420 HydrophobicContact CD2-CB 4.48Å; L324-L420 HydrophobicContact CD2-CD2 4.04Å; I332-L420 HydrophobicContact CD1-CD2 3.89Å; I332-L420 HydrophobicContact CD1-CG 4.29Å; I368-L420 HydrophobicContact CD1-CD1 4.37Å; I368-L420 HydrophobicContact CD1-CD2 4.24Å; I368-L420 HydrophobicContact CG1-CD1 4.48Å; L390-L420 HydrophobicContact CD2-CD1 3.91Å; I413-L420 HydrophobicContact CD1-CD1 4.02Å; I413-L420 HydrophobicContact CG2-CD1 4.08Å; L417-L420 HydrophobicContact CB-CB 4.28Å; L417-L420 VanDerWaalsContact O-CB 3.3Å; L417-L420 WeakPolarHBondContact O-CB 3.4Å; L417-L420 PolarHBondContact O-N 3.06Å; L420-E422 VanDerWaalsContact C-N 3.32Å; L420-E422 PolarHBondContact O-N 3.04Å; L420-K423 PolarHBondContact O-N 3.08Å; L420-I424 HydrophobicContact CD1-CD1 3.82Å; L420-I424 HydrophobicContact CD1-CG1 4.12Å; L420-I424 HydrophobicContact CG-CD1 3.89Å; L420-I424 VanDerWaalsContact O-CG1 3.29Å; L420-I424 WeakPolarHBondContact O-CG1 3.33Å; L420-I424 PolarHBondContact O-N 3.43Å
421	L	98.5	Very high	98.4	Very high	44 Å²	44	48.6 Å²	48.6	23%	0.23	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-36.3	178.2	-65.4	-179.1	0	0	0	112.4	L324 R328 F331 I332 D419 K425	L324-L421 HydrophobicContact CD1-CD1 3.99Å; L324-L421 HydrophobicContact CD1-CG 4.31Å; L324-L421 HydrophobicContact CD2-CD2 4.29Å; L324-L421 HydrophobicContact CD2-CG 4.17Å; L324-L421 HydrophobicContact CG-CD2 4.4Å; L324-L421 HydrophobicContact CG-CG 4.49Å; R328-L421 HydrophobicContact CB-CD2 4.28Å; R328-L421 HydrophobicContact CG-CD1 4.04Å; R328-L421 HydrophobicContact CG-CD2 4.46Å; F331-L421 HydrophobicContact CB-CD2 3.77Å; F331-L421 HydrophobicContact CD1-CD2 4Å; F331-L421 HydrophobicContact CG-CD2 4.03Å; I332-L421 HydrophobicContact CD1-CD2 3.79Å; I332-L421 HydrophobicContact CG1-CD2 4.34Å; D419-L421 PolarHBondContact O-N 3.2Å; L421-K425 WeakPolarHBondContact O-CB 3.45Å; L421-K425 PolarHBondContact O-N 3.32Å
422	E	98.6	Very high	98.4	Very high	114 Å²	114	53.9 Å²	53.9	53%	0.533	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-45.6	174.9	-178	-153.9	119.5	0	0	110.3	D419 L420 K425 W426	D419-E422 WeakPolarHBondContact O-CB 3.39Å; D419-E422 PolarHBondContact O-N 3.3Å; D419-E422 VanDerWaalsContact O-N 3.08Å; L420-E422 VanDerWaalsContact C-N 3.32Å; L420-E422 PolarHBondContact O-N 3.04Å; E422-K425 WeakPolarHBondContact O-CB 3.23Å; E422-K425 PolarHBondContact O-N 2.99Å; E422-W426 WeakPolarHBondContact O-CB 3.32Å; E422-W426 PolarHBondContact O-N 3.24Å
423	K	98.7	Very high	98.4	Very high	30 Å²	30	56.8 Å²	56.8	13%	0.13	29%	0.293	C	S	.	.	H	α-helix	trans	-66.8	-37.7	178.8	-61.9	-52.1	178.9	-146.1	0	113	L390 W407 I411 I413 D419 L420 W426 A427	L390-K423 HydrophobicContact CD2-CB 4.03Å; W407-K423 HydrophobicContact CH2-CD 3.81Å; W407-K423 HydrophobicContact CZ2-CD 4.05Å; I411-K423 HydrophobicContact CG2-CB 4Å; I411-K423 HydrophobicContact CG2-CD 4.3Å; I411-K423 HydrophobicContact CG2-CG 4.31Å; I413-K423 HydrophobicContact CG2-CB 4.1Å; I413-K423 HydrophobicContact CG2-CG 4.03Å; D419-K423 WeakPolarHBondContact O-CG 3.4Å; D419-K423 PolarHBondContact O-N 2.66Å; D419-K423 VanDerWaalsContact OD2-CE 3.32Å; D419-K423 WeakPolarHBondContact OD2-CE 3.38Å; L420-K423 PolarHBondContact O-N 3.08Å; K423-W426 PolarHBondContact O-N 3.12Å; K423-A427 WeakPolarHBondContact O-CB 3.42Å; K423-A427 PolarHBondContact O-N 3.18Å
424	I	98.8	Very high	98.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-44	172.5	-65.8	164.1	0	0	0	110.4	A307 F331 I332 L390 L420 A427 R428	A307-I424 HydrophobicContact CB-CD1 3.55Å; A307-I424 HydrophobicContact CB-CG1 3.89Å; A307-I424 HydrophobicContact CB-CG2 4.46Å; F331-I424 HydrophobicContact CD1-CB 4.12Å; F331-I424 HydrophobicContact CD1-CG2 3.72Å; F331-I424 HydrophobicContact CE1-CG2 4.35Å; I332-I424 HydrophobicContact CD1-CD1 4.01Å; I332-I424 HydrophobicContact CG1-CD1 3.57Å; L390-I424 HydrophobicContact CD2-CG1 3.76Å; L420-I424 HydrophobicContact CD1-CD1 3.82Å; L420-I424 HydrophobicContact CD1-CG1 4.12Å; L420-I424 HydrophobicContact CG-CD1 3.89Å; L420-I424 VanDerWaalsContact O-CG1 3.29Å; L420-I424 WeakPolarHBondContact O-CG1 3.33Å; L420-I424 PolarHBondContact O-N 3.43Å; I424-A427 PolarHBondContact O-N 3.13Å; I424-R428 WeakPolarHBondContact O-CG 3.28Å; I424-R428 PolarHBondContact O-N 2.81Å
425	K	98.6	Very high	98.4	Very high	110 Å²	110	56.2 Å²	56.2	48%	0.478	29%	0.288	S	S	.	.	H	α-helix	trans	-59.8	-47.7	176.1	-173.8	178.6	179.5	-65.4	0	111	F331 L421 E422 A427 R428 D429	F331-K425 HydrophobicContact CE1-CB 4.09Å; L421-K425 WeakPolarHBondContact O-CB 3.45Å; L421-K425 PolarHBondContact O-N 3.32Å; E422-K425 WeakPolarHBondContact O-CB 3.23Å; E422-K425 PolarHBondContact O-N 2.99Å; K425-A427 VanDerWaalsContact C-N 3.32Å; K425-A427 PolarHBondContact O-N 2.81Å; K425-R428 PolarHBondContact O-N 3.34Å; K425-D429 IonicContact NZ-OD2 3.65Å; K425-D429 PolarHBondContact NZ-OD2 3.5Å; K425-D429 WeakPolarHBondContact O-CB 3.12Å; K425-D429 VanDerWaalsContact O-CG 3.25Å; K425-D429 PolarHBondContact O-N 3.41Å
426	W	98.8	Very high	98.5	Very high	64 Å²	64	60.9 Å²	60.9	24%	0.242	30%	0.3	C	S	.	.	H	α-helix	trans	-55.8	-47.1	176.4	178.5	87.9	0	0	0	111.4	W407 I411 E422 K423 R428 D429 H430 E433 I437	W407-W426 HydrophobicContact CE3-CH2 4.08Å; W407-W426 HydrophobicContact CE3-CZ2 4.43Å; W407-W426 HydrophobicContact CE3-CZ3 4.2Å; W407-W426 HydrophobicContact CH2-CD2 4.25Å; W407-W426 HydrophobicContact CH2-CE3 4.25Å; W407-W426 AromaticContact CZ3-CD2 3.87Å; W407-W426 HydrophobicContact CZ3-CD2 3.87Å; W407-W426 AromaticContact CZ3-CE3 3.6Å; W407-W426 HydrophobicContact CZ3-CE3 3.6Å; W407-W426 AromaticContact CZ3-CH2 3.75Å; W407-W426 HydrophobicContact CZ3-CH2 3.75Å; W407-W426 AromaticContact CZ3-CZ2 3.98Å; W407-W426 HydrophobicContact CZ3-CZ2 3.98Å; W407-W426 AromaticContact CZ3-CZ3 3.56Å; W407-W426 HydrophobicContact CZ3-CZ3 3.56Å; I411-W426 HydrophobicContact CD1-CE3 4.08Å; I411-W426 HydrophobicContact CD1-CZ3 3.8Å; I411-W426 HydrophobicContact CG1-CZ3 4.25Å; E422-W426 WeakPolarHBondContact O-CB 3.32Å; E422-W426 PolarHBondContact O-N 3.24Å; K423-W426 PolarHBondContact O-N 3.12Å; W426-R428 VanDerWaalsContact C-N 3.3Å; W426-R428 PolarHBondContact O-N 3.35Å; W426-D429 PolarHBondContact O-N 3.07Å; W426-H430 AromaticContact CD1-CE1 3.48Å; W426-H430 VanDerWaalsContact CD1-CE1 3.48Å; W426-H430 AromaticContact CD1-ND1 3.48Å; W426-H430 AromaticContact CE2-CG 3.87Å; W426-H430 AromaticContact CE2-ND1 3.82Å; W426-H430 AromaticContact CG-ND1 3.86Å; W426-H430 HydrophobicContact CH2-CB 4.38Å; W426-H430 HydrophobicContact CZ2-CB 4.1Å; W426-H430 AromaticContact NE1-CD2 3.96Å; W426-H430 AromaticContact NE1-CE1 3.48Å; W426-H430 PolarHBondContact NE1-CE1 3.28Å; W426-H430 AromaticContact NE1-CG 3.77Å; W426-H430 AromaticContact NE1-ND1 3.44Å; W426-H430 PolarHBondContact NE1-ND1 2.74Å; W426-H430 AromaticContact NE1-NE2 3.79Å; W426-H430 WeakPolarHBondContact O-CB 3.43Å; W426-H430 PolarHBondContact O-N 2.82Å; W426-H430 PolarHBondContact O-ND1 2.74Å; W426-E433 HydrophobicContact CH2-CB 4.09Å; W426-E433 HydrophobicContact CZ2-CB 4.46Å; W426-E433 WeakPolarHBondContact CZ2-OE2 3.25Å; W426-I437 HydrophobicContact CH2-CD1 3.91Å; W426-I437 HydrophobicContact CZ3-CD1 4.13Å
427	A	98.6	Very high	98.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-33.6	-178.8	0	0	0	0	0	112.8	Y366 I411 K423 I424 K425 H430 D431 A434	Y366-A427 HydrophobicContact CD1-CB 3.82Å; Y366-A427 HydrophobicContact CE1-CB 3.46Å; Y366-A427 VanDerWaalsContact CE1-CB 3.46Å; Y366-A427 PolarHBondContact OH-O 2.94Å; I411-A427 HydrophobicContact CD1-CB 3.78Å; K423-A427 WeakPolarHBondContact O-CB 3.42Å; K423-A427 PolarHBondContact O-N 3.18Å; I424-A427 PolarHBondContact O-N 3.13Å; K425-A427 VanDerWaalsContact C-N 3.32Å; K425-A427 PolarHBondContact O-N 2.81Å; A427-H430 CarbonylContact O-C 3.51Å; A427-D431 PolarHBondContact O-N 3.03Å; A427-A434 HydrophobicContact CB-CB 4.15Å
428	R	98.2	Very high	98.6	Very high	69 Å²	69	56.5 Å²	56.5	26%	0.26	28%	0.277	S	S	.	.	H	α-helix	trans	-69.2	-42.8	172.6	-71.6	173.6	172.5	-174.7	-5.8	112.4	A305 D330 Y366 I424 K425 W426 H430	A305-R428 VanDerWaalsContact O-CZ 3.27Å; A305-R428 PolarHBondContact O-NE 2.97Å; A305-R428 PolarHBondContact O-NH2 3.45Å; D330-R428 PolarHBondContact O-NH1 2.57Å; D330-R428 VanDerWaalsContact O-NH1 3.13Å; D330-R428 PolarHBondContact O-NH2 2.79Å; Y366-R428 HydrophobicContact CE2-CG 3.78Å; Y366-R428 WeakPolarHBondContact OH-CA 3.38Å; Y366-R428 WeakPolarHBondContact OH-CG 3.33Å; I424-R428 WeakPolarHBondContact O-CG 3.28Å; I424-R428 PolarHBondContact O-N 2.81Å; K425-R428 PolarHBondContact O-N 3.34Å; W426-R428 VanDerWaalsContact C-N 3.3Å; W426-R428 PolarHBondContact O-N 3.35Å; R428-H430 PolarHBondContact O-N 2.98Å
429	D	98.6	Very high	98.6	Very high	96 Å²	96	57.2 Å²	57.2	51%	0.513	27%	0.266	S	S	.	.	H	α-helix	trans	-71.9	-20.2	-179.6	-64.8	-14.4	0	0	0	111.8	K425 W426	K425-D429 IonicContact NZ-OD2 3.65Å; K425-D429 PolarHBondContact NZ-OD2 3.5Å; K425-D429 WeakPolarHBondContact O-CB 3.12Å; K425-D429 VanDerWaalsContact O-CG 3.25Å; K425-D429 PolarHBondContact O-N 3.41Å; W426-D429 PolarHBondContact O-N 3.07Å
430	H	98.6	Very high	98.6	Very high	66 Å²	66	58.2 Å²	58.2	31%	0.306	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	53.7	-178	-53.8	74.5	0	0	0	111.4	W426 A427 R428 D432 E433 A434	W426-H430 AromaticContact CD1-CE1 3.48Å; W426-H430 VanDerWaalsContact CD1-CE1 3.48Å; W426-H430 AromaticContact CD1-ND1 3.48Å; W426-H430 AromaticContact CE2-CG 3.87Å; W426-H430 AromaticContact CE2-ND1 3.82Å; W426-H430 AromaticContact CG-ND1 3.86Å; W426-H430 HydrophobicContact CH2-CB 4.38Å; W426-H430 HydrophobicContact CZ2-CB 4.1Å; W426-H430 AromaticContact NE1-CD2 3.96Å; W426-H430 AromaticContact NE1-CE1 3.48Å; W426-H430 PolarHBondContact NE1-CE1 3.28Å; W426-H430 AromaticContact NE1-CG 3.77Å; W426-H430 AromaticContact NE1-ND1 3.44Å; W426-H430 PolarHBondContact NE1-ND1 2.74Å; W426-H430 AromaticContact NE1-NE2 3.79Å; W426-H430 WeakPolarHBondContact O-CB 3.43Å; W426-H430 PolarHBondContact O-N 2.82Å; W426-H430 PolarHBondContact O-ND1 2.74Å; A427-H430 CarbonylContact O-C 3.51Å; R428-H430 PolarHBondContact O-N 2.98Å; H430-D432 VanDerWaalsContact C-N 3.33Å; H430-D432 PolarHBondContact O-N 2.86Å; H430-E433 HydrophobicContact CB-CB 4.04Å; H430-E433 HydrophobicContact CB-CG 4.4Å; H430-E433 WeakPolarHBondContact CB-OE2 3.23Å; H430-E433 IonicContact CD2-OE1 3.74Å; H430-E433 IonicContact CD2-OE2 2.67Å; H430-E433 PolarHBondContact CD2-OE2 3.29Å; H430-E433 VanDerWaalsContact CD2-OE2 3.23Å; H430-E433 IonicContact CG-OE2 3.64Å; H430-E433 PolarHBondContact O-N 2.89Å; H430-A434 PolarHBondContact O-N 3.04Å
431	D	98.6	Very high	98.6	Very high	47 Å²	47	58.3 Å²	58.3	25%	0.251	27%	0.274	S	S	.	.	H	α-helix	trans	-55.6	-42	-170.7	-166.4	67.4	0	0	0	113.8	W300 K365 A427 A434 R435	W300-D431 VanDerWaalsContact NE1-CG 3.31Å; W300-D431 PolarHBondContact NE1-OD1 2.77Å; W300-D431 PolarHBondContact NE1-OD2 2.82Å; K365-D431 VanDerWaalsContact NZ-CG 3.29Å; K365-D431 IonicContact NZ-OD1 3.69Å; K365-D431 PolarHBondContact NZ-OD1 2.83Å; K365-D431 IonicContact NZ-OD2 2.98Å; K365-D431 PolarHBondContact NZ-OD2 2.93Å; K365-D431 VanDerWaalsContact NZ-OD2 3.15Å; A427-D431 PolarHBondContact O-N 3.03Å; D431-A434 PolarHBondContact O-N 3.15Å; D431-R435 WeakPolarHBondContact O-CB 3.24Å; D431-R435 PolarHBondContact O-N 3.04Å
432	D	98.4	Very high	98.6	Very high	112 Å²	112	56.6 Å²	56.6	60%	0.599	27%	0.265	S	S	*	.	H	α-helix	trans	-67.8	-35.3	178.3	-79.9	-25.4	0	0	0	112.6	H430 R435 K436	H430-D432 VanDerWaalsContact C-N 3.33Å; H430-D432 PolarHBondContact O-N 2.86Å; D432-R435 PolarHBondContact O-N 3.44Å; D432-K436 VanDerWaalsContact O-CG 3.32Å; D432-K436 WeakPolarHBondContact O-CG 3.33Å; D432-K436 PolarHBondContact O-N 2.71Å
433	E	98.8	Very high	98.6	Very high	90 Å²	90	56.3 Å²	56.3	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-72.1	-43.7	177.1	-67	162	-152.4	0	0	110.3	W426 H430 R435 K436 I437	W426-E433 HydrophobicContact CH2-CB 4.09Å; W426-E433 HydrophobicContact CZ2-CB 4.46Å; W426-E433 WeakPolarHBondContact CZ2-OE2 3.25Å; H430-E433 HydrophobicContact CB-CB 4.04Å; H430-E433 HydrophobicContact CB-CG 4.4Å; H430-E433 WeakPolarHBondContact CB-OE2 3.23Å; H430-E433 IonicContact CD2-OE1 3.74Å; H430-E433 IonicContact CD2-OE2 2.67Å; H430-E433 PolarHBondContact CD2-OE2 3.29Å; H430-E433 VanDerWaalsContact CD2-OE2 3.23Å; H430-E433 IonicContact CG-OE2 3.64Å; H430-E433 PolarHBondContact O-N 2.89Å; E433-R435 VanDerWaalsContact C-N 3.27Å; E433-R435 PolarHBondContact O-N 3.24Å; E433-K436 WeakPolarHBondContact O-CB 3.27Å; E433-K436 PolarHBondContact O-N 2.94Å; E433-K436 VanDerWaalsContact O-N 3.13Å; E433-I437 WeakPolarHBondContact O-CG1 3.49Å; E433-I437 PolarHBondContact O-N 3.18Å
434	A	98.8	Very high	98.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.2	-41.8	172.4	0	0	0	0	0	111.6	W300 V388 A427 H430 D431 I437 A438	W300-A434 HydrophobicContact CH2-CB 4.37Å; W300-A434 HydrophobicContact CZ2-CB 4.24Å; V388-A434 HydrophobicContact CG1-CB 4.31Å; A427-A434 HydrophobicContact CB-CB 4.15Å; H430-A434 PolarHBondContact O-N 3.04Å; D431-A434 PolarHBondContact O-N 3.15Å; A434-I437 PolarHBondContact O-N 3.05Å; A434-A438 PolarHBondContact O-N 2.84Å
435	R	98.5	Very high	98.5	Very high	108 Å²	108	55.4 Å²	55.4	41%	0.408	26%	0.26	S	S	.	.	H	α-helix	trans	-63.2	-42.9	174.5	-172.4	-179.1	174.3	-171.8	-2.2	112.4	W300 D431 D432 E433 I437 A438 L439	W300-R435 HydrophobicContact CD2-CB 3.95Å; W300-R435 HydrophobicContact CD2-CG 3.78Å; W300-R435 HydrophobicContact CE3-CB 4.34Å; W300-R435 HydrophobicContact CE3-CG 4.07Å; W300-R435 HydrophobicContact CG-CB 4.45Å; W300-R435 HydrophobicContact CG-CG 4.01Å; W300-R435 HydrophobicContact CH2-CB 4.2Å; W300-R435 HydrophobicContact CZ2-CB 3.79Å; W300-R435 HydrophobicContact CZ3-CB 4.45Å; D431-R435 WeakPolarHBondContact O-CB 3.24Å; D431-R435 PolarHBondContact O-N 3.04Å; D432-R435 PolarHBondContact O-N 3.44Å; E433-R435 VanDerWaalsContact C-N 3.27Å; E433-R435 PolarHBondContact O-N 3.24Å; R435-I437 VanDerWaalsContact C-N 3.33Å; R435-I437 PolarHBondContact O-N 3.38Å; R435-A438 WeakPolarHBondContact O-CB 3.37Å; R435-A438 PolarHBondContact O-N 3.16Å; R435-L439 HydrophobicContact CG-CD1 4.35Å; R435-L439 WeakPolarHBondContact O-CG 3.4Å; R435-L439 PolarHBondContact O-N 2.82Å
436	K	98.8	Very high	98.4	Very high	143 Å²	143	51.2 Å²	51.2	62%	0.622	24%	0.241	S	C	*	.	H	α-helix	trans	-61	-42.2	176.2	-74.5	169.3	-173.2	171	0	111.6	D432 E433 L439 S440	D432-K436 VanDerWaalsContact O-CG 3.32Å; D432-K436 WeakPolarHBondContact O-CG 3.33Å; D432-K436 PolarHBondContact O-N 2.71Å; E433-K436 WeakPolarHBondContact O-CB 3.27Å; E433-K436 PolarHBondContact O-N 2.94Å; E433-K436 VanDerWaalsContact O-N 3.13Å; K436-L439 PolarHBondContact O-N 3.36Å; K436-S440 WeakPolarHBondContact O-CB 3.49Å; K436-S440 PolarHBondContact O-N 3.06Å
437	I	98.9	Very high	98.3	Very high	13 Å²	13	50 Å²	50	7%	0.067	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-45.1	175	-64.9	169.8	0	0	0	110.4	V388 W407 I411 W426 E433 A434 R435 L439 S440 G441	V388-I437 HydrophobicContact CG2-CB 4.11Å; V388-I437 HydrophobicContact CG2-CG2 3.79Å; W407-I437 HydrophobicContact CE3-CD1 4.24Å; W407-I437 WeakPolarHBondContact O-CG1 3.39Å; I411-I437 HydrophobicContact CG1-CD1 4.13Å; I411-I437 HydrophobicContact CG1-CG2 4.49Å; W426-I437 HydrophobicContact CH2-CD1 3.91Å; W426-I437 HydrophobicContact CZ3-CD1 4.13Å; E433-I437 WeakPolarHBondContact O-CG1 3.49Å; E433-I437 PolarHBondContact O-N 3.18Å; A434-I437 PolarHBondContact O-N 3.05Å; R435-I437 VanDerWaalsContact C-N 3.33Å; R435-I437 PolarHBondContact O-N 3.38Å; I437-L439 PolarHBondContact O-N 2.82Å; I437-S440 PolarHBondContact O-N 2.8Å; I437-G441 PolarHBondContact O-N 2.92Å
438	A	98.6	Very high	98.2	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-57.2	-49.1	176.2	0	0	0	0	0	112.1	W300 V388 A434 R435 S440 G441 Q442	W300-A438 HydrophobicContact CZ3-CB 4.02Å; V388-A438 HydrophobicContact CB-CB 3.95Å; A434-A438 PolarHBondContact O-N 2.84Å; R435-A438 WeakPolarHBondContact O-CB 3.37Å; R435-A438 PolarHBondContact O-N 3.16Å; A438-S440 VanDerWaalsContact C-N 3.3Å; A438-S440 PolarHBondContact O-N 3.28Å; A438-G441 PolarHBondContact O-N 3.18Å; A438-Q442 WeakPolarHBondContact O-CB 3.1Å; A438-Q442 PolarHBondContact O-N 3.35Å
439	L	98	Very high	98.2	Very high	79 Å²	79	50 Å²	50	41%	0.414	25%	0.245	S	C	.	.	H	α-helix	trans	-64.3	-35.5	179.6	-68.2	175.1	0	0	0	112.4	R435 K436 I437 Q442 Q443	R435-L439 HydrophobicContact CG-CD1 4.35Å; R435-L439 WeakPolarHBondContact O-CG 3.4Å; R435-L439 PolarHBondContact O-N 2.82Å; K436-L439 PolarHBondContact O-N 3.36Å; I437-L439 PolarHBondContact O-N 2.82Å; L439-Q442 WeakPolarHBondContact O-CB 3.42Å; L439-Q442 PolarHBondContact O-N 3.09Å; L439-Q443 WeakPolarHBondContact O-CB 3.11Å; L439-Q443 PolarHBondContact O-N 3.31Å
440	S	98.8	Very high	98.1	Very high	34 Å²	34	45.6 Å²	45.6	24%	0.238	22%	0.221	C	C	.	.	H	α-helix	trans	-68.8	-44.9	176.3	-173.2	0	0	0	0	112	E408 H409 K436 I437 A438 Q442 Q443 F444	E408-S440 WeakPolarHBondContact O-CB 3.48Å; E408-S440 PolarHBondContact O-OG 3.04Å; H409-S440 PolarHBondContact CD2-OG 2.81Å; K436-S440 WeakPolarHBondContact O-CB 3.49Å; K436-S440 PolarHBondContact O-N 3.06Å; I437-S440 PolarHBondContact O-N 2.8Å; A438-S440 VanDerWaalsContact C-N 3.3Å; A438-S440 PolarHBondContact O-N 3.28Å; S440-Q442 VanDerWaalsContact C-N 3.31Å; S440-Q442 PolarHBondContact O-N 2.95Å; S440-Q443 PolarHBondContact O-N 3.16Å; S440-F444 PolarHBondContact O-N 2.79Å
441	G	98.8	Very high	98.1	Very high	1 Å²	1	43 Å²	43	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-39.6	171.7	0	0	0	0	0	113.1	L383 H409 I437 A438 F444 A445	L383-G441 CarbonylContact O-C 3.53Å; H409-G441 WeakPolarHBondContact O-CA 3.3Å; I437-G441 PolarHBondContact O-N 2.92Å; A438-G441 PolarHBondContact O-N 3.18Å; G441-F444 WeakPolarHBondContact O-CB 3.26Å; G441-F444 PolarHBondContact O-N 3.06Å; G441-A445 PolarHBondContact O-N 3.43Å
442	Q	98.2	Very high	98	Very high	8 Å²	8	41.8 Å²	41.8	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-45.7	172.7	-175.1	177.4	74.2	0	0	112.7	L383 A384 G385 A438 L439 S440 F444 A445 R446	L383-Q442 WeakPolarHBondContact O-CA 3.3Å; L383-Q442 PolarHBondContact O-N 3.24Å; A384-Q442 WeakPolarHBondContact O-CG 2.89Å; A384-Q442 PolarHBondContact O-NE2 3.36Å; A384-Q442 VanDerWaalsContact O-NE2 3.16Å; G385-Q442 WeakPolarHBondContact O-CB 3.4Å; G385-Q442 WeakPolarHBondContact O-CG 3.46Å; G385-Q442 PolarHBondContact O-NE2 2.89Å; A438-Q442 WeakPolarHBondContact O-CB 3.1Å; A438-Q442 PolarHBondContact O-N 3.35Å; L439-Q442 WeakPolarHBondContact O-CB 3.42Å; L439-Q442 PolarHBondContact O-N 3.09Å; S440-Q442 VanDerWaalsContact C-N 3.31Å; S440-Q442 PolarHBondContact O-N 2.95Å; Q442-F444 VanDerWaalsContact C-N 3.31Å; Q442-F444 PolarHBondContact O-N 2.86Å; Q442-A445 PolarHBondContact O-N 3.04Å; Q442-R446 WeakPolarHBondContact O-CB 3.28Å; Q442-R446 WeakPolarHBondContact O-CG 3.29Å; Q442-R446 PolarHBondContact O-N 2.99Å; Q442-R446 VanDerWaalsContact OE1-CZ 3.29Å
443	Q	98.1	Very high	98	Very high	109 Å²	109	39.5 Å²	39.5	51%	0.509	19%	0.189	S	C	.	.	H	α-helix	trans	-64.7	-38	178	-175.6	57	29.7	0	0	111.6	L439 S440 R446 S447	L439-Q443 WeakPolarHBondContact O-CB 3.11Å; L439-Q443 PolarHBondContact O-N 3.31Å; S440-Q443 PolarHBondContact O-N 3.16Å; Q443-R446 PolarHBondContact O-N 3.28Å; Q443-S447 WeakPolarHBondContact O-CB 3.45Å; Q443-S447 PolarHBondContact O-N 2.84Å; Q443-S447 VanDerWaalsContact O-N 3.14Å; Q443-S447 PolarHBondContact O-OG 2.68Å
444	F	98.6	Very high	97.9	Very high	11 Å²	11	35.3 Å²	35.3	5%	0.048	17%	0.169	C	C	.	.	H	α-helix	trans	-57.9	-53.6	172.9	177.7	-84.5	0	0	0	110.9	F400 E403 L404 H409 S440 G441 Q442 R446 S447 H448	F400-F444 HydrophobicContact CB-CE1 4.32Å; F400-F444 HydrophobicContact CB-CZ 4.3Å; F400-F444 AromaticContact CD2-CE1 3.67Å; F400-F444 HydrophobicContact CD2-CE1 3.67Å; F400-F444 HydrophobicContact CD2-CZ 4.28Å; F400-F444 HydrophobicContact CE2-CE1 4.46Å; F400-F444 HydrophobicContact CG-CE1 4.39Å; E403-F444 HydrophobicContact CB-CE2 3.73Å; E403-F444 HydrophobicContact CB-CZ 3.86Å; L404-F444 HydrophobicContact CD2-CD1 3.45Å; L404-F444 VanDerWaalsContact CD2-CD1 3.45Å; L404-F444 HydrophobicContact CD2-CD2 4.29Å; L404-F444 HydrophobicContact CD2-CE1 3.47Å; L404-F444 VanDerWaalsContact CD2-CE1 3.47Å; L404-F444 HydrophobicContact CD2-CE2 4.28Å; L404-F444 HydrophobicContact CD2-CG 3.91Å; L404-F444 HydrophobicContact CD2-CZ 3.89Å; L404-F444 HydrophobicContact CG-CE1 4.31Å; L404-F444 HydrophobicContact CG-CZ 4.48Å; H409-F444 AromaticContact CE1-CD2 3.73Å; S440-F444 PolarHBondContact O-N 2.79Å; G441-F444 WeakPolarHBondContact O-CB 3.26Å; G441-F444 PolarHBondContact O-N 3.06Å; Q442-F444 VanDerWaalsContact C-N 3.31Å; Q442-F444 PolarHBondContact O-N 2.86Å; F444-R446 VanDerWaalsContact C-N 3.34Å; F444-R446 PolarHBondContact O-N 3.04Å; F444-S447 PolarHBondContact O-N 3.21Å; F444-S447 VanDerWaalsContact O-N 3.08Å; F444-S447 PolarHBondContact O-OG 2.91Å; F444-H448 AromaticContact CD2-CE1 3.99Å; F444-H448 AromaticContact CD2-ND1 3.75Å; F444-H448 HydrophobicContact CE1-CB 4.13Å; F444-H448 HydrophobicContact CE2-CB 4.48Å; F444-H448 AromaticContact CE2-CG 3.9Å; F444-H448 AromaticContact CE2-ND1 3.86Å; F444-H448 HydrophobicContact CZ-CB 4.08Å; F444-H448 AromaticContact CZ-CG 3.98Å; F444-H448 PolarHBondContact O-N 3.37Å; F444-H448 PolarHBondContact O-ND1 3.34Å
445	A	98.3	Very high	97.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.8	-44.3	-179.7	0	0	0	0	0	112.3	M289 L383 A384 G441 Q442 S447 L449	M289-A445 HydrophobicContact CE-CB 4.01Å; L383-A445 HydrophobicContact CB-CB 3.87Å; A384-A445 HydrophobicContact CB-CB 4.09Å; G441-A445 PolarHBondContact O-N 3.43Å; Q442-A445 PolarHBondContact O-N 3.04Å; A445-S447 PolarHBondContact O-N 3.04Å; A445-L449 HydrophobicContact CB-CD1 4.15Å; A445-L449 WeakPolarHBondContact O-CB 3.31Å; A445-L449 PolarHBondContact O-N 3.13Å
446	R	96.3	Very high	97.9	Very high	21 Å²	21	30.1 Å²	30.1	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-24.8	177.3	-75.1	178.1	172.2	145.2	4.5	114.3	D96 Q293 Q442 Q443 F444 M450	D96-R446 IonicContact OD2-NH1 2.75Å; Q293-R446 HydrophobicContact CG-CG 4.46Å; Q442-R446 WeakPolarHBondContact O-CB 3.28Å; Q442-R446 WeakPolarHBondContact O-CG 3.29Å; Q442-R446 PolarHBondContact O-N 2.99Å; Q442-R446 VanDerWaalsContact OE1-CZ 3.29Å; Q443-R446 PolarHBondContact O-N 3.28Å; F444-R446 VanDerWaalsContact C-N 3.34Å; F444-R446 PolarHBondContact O-N 3.04Å; R446-M450 WeakPolarHBondContact O-CG 3.24Å
447	S	95.7	Very high	97.9	Very high	38 Å²	38	23.5 Å²	23.5	27%	0.266	12%	0.121	S	C	.	.	H	α-helix	trans	-100.4	-22.8	-176	49.6	0	0	0	0	114.1	Q443 F444 A445 R453	Q443-S447 WeakPolarHBondContact O-CB 3.45Å; Q443-S447 PolarHBondContact O-N 2.84Å; Q443-S447 VanDerWaalsContact O-N 3.14Å; Q443-S447 PolarHBondContact O-OG 2.68Å; F444-S447 PolarHBondContact O-N 3.21Å; F444-S447 VanDerWaalsContact O-N 3.08Å; F444-S447 PolarHBondContact O-OG 2.91Å; A445-S447 PolarHBondContact O-N 3.04Å; S447-R453 WeakPolarHBondContact O-CG 3.28Å; S447-R453 PolarHBondContact O-NE 2.98Å
448	H	97.3	Very high	97.9	Very high	71 Å²	71	22.9 Å²	22.9	33%	0.329	12%	0.118	S	C	.	.	H	α-helix	trans	-116.8	-21.6	-173.3	-61.8	75.8	0	0	0	114.1	E403 F444 R453	E403-H448 IonicContact OE2-CD2 2.67Å; F444-H448 AromaticContact CD2-CE1 3.99Å; F444-H448 AromaticContact CD2-ND1 3.75Å; F444-H448 HydrophobicContact CE1-CB 4.13Å; F444-H448 HydrophobicContact CE2-CB 4.48Å; F444-H448 AromaticContact CE2-CG 3.9Å; F444-H448 AromaticContact CE2-ND1 3.86Å; F444-H448 HydrophobicContact CZ-CB 4.08Å; F444-H448 AromaticContact CZ-CG 3.98Å; F444-H448 PolarHBondContact O-N 3.37Å; F444-H448 PolarHBondContact O-ND1 3.34Å; H448-R453 WeakPolarHBondContact O-CB 3.32Å
449	L	97.9	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-118.1	10.4	-168.7	-53.1	-179.6	0	0	0	113.9	L274 M289 P380 F400 A445	L274-L449 HydrophobicContact CD2-CD2 4.5Å; M289-L449 HydrophobicContact CE-CB 3.77Å; M289-L449 HydrophobicContact CE-CD1 4.39Å; P380-L449 HydrophobicContact CB-CD1 3.95Å; F400-L449 HydrophobicContact CB-CD2 3.77Å; F400-L449 HydrophobicContact CD1-CD1 4.41Å; F400-L449 HydrophobicContact CD1-CD2 3.76Å; F400-L449 HydrophobicContact CD2-CD1 4.11Å; F400-L449 HydrophobicContact CD2-CD2 4.22Å; F400-L449 HydrophobicContact CE1-CD1 4.32Å; F400-L449 HydrophobicContact CE1-CD2 4.38Å; F400-L449 HydrophobicContact CE2-CD1 3.96Å; F400-L449 HydrophobicContact CG-CD1 4.3Å; F400-L449 HydrophobicContact CG-CD2 3.66Å; F400-L449 HydrophobicContact CZ-CD1 4.07Å; A445-L449 HydrophobicContact CB-CD1 4.15Å; A445-L449 WeakPolarHBondContact O-CB 3.31Å; A445-L449 PolarHBondContact O-N 3.13Å
450	M	97.2	Very high	98	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.015	10%	0.1	C	C	.	.	S	Bend	trans	-76.3	163.4	174.5	-64.9	-69.3	-71.6	0	0	111.3	F51 M289 M290 Q293 R446 D452 R453 I454	F51-M450 HydrophobicContact CD1-CE 4.09Å; F51-M450 HydrophobicContact CD2-CE 3.69Å; F51-M450 HydrophobicContact CE1-CB 4.45Å; F51-M450 HydrophobicContact CE1-CE 3.81Å; F51-M450 HydrophobicContact CE2-CE 3.39Å; F51-M450 HydrophobicContact CG-CE 4.04Å; F51-M450 HydrophobicContact CZ-CB 3.93Å; F51-M450 HydrophobicContact CZ-CE 3.45Å; F51-M450 VanDerWaalsContact CZ-CE 3.45Å; F51-M450 HydrophobicContact CZ-CG 4.38Å; M289-M450 HydrophobicContact CB-SD 4.18Å; M290-M450 HydrophobicContact CG-CE 3.64Å; M290-M450 HydrophobicContact CG-SD 4.43Å; M290-M450 HydrophobicContact SD-CE 4.21Å; Q293-M450 PolarHBondContact NE2-SD 2.79Å; Q293-M450 VanDerWaalsContact NE2-SD 3.45Å; R446-M450 WeakPolarHBondContact O-CG 3.24Å; M450-D452 VanDerWaalsContact C-N 3.33Å; M450-D452 WeakPolarHBondContact CB-OD1 3.39Å; M450-D452 PolarHBondContact O-N 2.87Å; M450-R453 WeakPolarHBondContact O-CA 3.34Å; M450-R453 WeakPolarHBondContact O-CB 3.48Å; M450-R453 PolarHBondContact O-N 3.46Å; M450-I454 PolarHBondContact O-N 2.76Å
451	G	96.9	Very high	98	Very high	12 Å²	12	18.1 Å²	18.1	12%	0.124	9%	0.089	C	C	.	.	H	α-helix	trans	-55.8	-42.3	-172.8	0	0	0	0	0	114.4	R453 I454 F455	G451-R453 VanDerWaalsContact C-N 3.29Å; G451-R453 PolarHBondContact O-N 2.76Å; G451-I454 PolarHBondContact O-N 3.45Å; G451-F455 VanDerWaalsContact O-CD2 3.27Å; G451-F455 WeakPolarHBondContact O-CD2 3.14Å; G451-F455 PolarHBondContact O-N 2.77Å
452	D	97	Very high	98	Very high	21 Å²	21	18 Å²	18	11%	0.112	9%	0.088	C	C	.	.	H	α-helix	trans	-55.3	-42.3	173.7	58.1	-44.4	0	0	0	112.6	L47 F51 M153 M450 C456	L47-D452 HydrophobicContact CD1-CB 4.22Å; F51-D452 WeakPolarHBondContact CZ-OD1 3.18Å; M153-D452 HydrophobicContact CE-CB 4.19Å; M450-D452 VanDerWaalsContact C-N 3.33Å; M450-D452 WeakPolarHBondContact CB-OD1 3.39Å; M450-D452 PolarHBondContact O-N 2.87Å; D452-C456 WeakPolarHBondContact O-CB 3.33Å; D452-C456 PolarHBondContact O-N 3.39Å; D452-C456 PolarHBondContact O-SG 3.22Å
453	R	97.9	Very high	98	Very high	64 Å²	64	19 Å²	19	24%	0.242	9%	0.092	C	C	.	.	H	α-helix	trans	-69.4	-40.1	177.6	-62.1	-59.6	-170.9	-154.3	2.7	112.9	R154 S447 H448 M450 G451 C456 Y457	R154-R453 PolarHBondContact O-NH1 2.98Å; S447-R453 WeakPolarHBondContact O-CG 3.28Å; S447-R453 PolarHBondContact O-NE 2.98Å; H448-R453 WeakPolarHBondContact O-CB 3.32Å; M450-R453 WeakPolarHBondContact O-CA 3.34Å; M450-R453 WeakPolarHBondContact O-CB 3.48Å; M450-R453 PolarHBondContact O-N 3.46Å; G451-R453 VanDerWaalsContact C-N 3.29Å; G451-R453 PolarHBondContact O-N 2.76Å; R453-C456 PolarHBondContact O-N 3.36Å; R453-Y457 PolarHBondContact O-N 2.88Å
454	I	98.4	Very high	98	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-63.3	-44.6	176.9	-60.5	-51.4	0	0	0	111	P270 L274 V278 M450 G451 Y457 Y458	P270-I454 HydrophobicContact CB-CD1 4.3Å; P270-I454 HydrophobicContact CB-CG2 4.21Å; P270-I454 HydrophobicContact CG-CD1 4.27Å; P270-I454 HydrophobicContact CG-CG2 4.22Å; L274-I454 HydrophobicContact CD2-CD1 3.69Å; L274-I454 HydrophobicContact CD2-CG1 4.46Å; L274-I454 HydrophobicContact CG-CD1 4.21Å; L274-I454 HydrophobicContact CG-CG1 4.49Å; V278-I454 HydrophobicContact CG2-CB 4.25Å; V278-I454 HydrophobicContact CG2-CG1 3.95Å; M450-I454 PolarHBondContact O-N 2.76Å; G451-I454 PolarHBondContact O-N 3.45Å; I454-Y457 PolarHBondContact O-N 3.46Å; I454-Y458 HydrophobicContact CG2-CD2 4Å; I454-Y458 HydrophobicContact CG2-CE2 3.87Å; I454-Y458 WeakPolarHBondContact O-CD2 3.33Å; I454-Y458 PolarHBondContact O-N 3.02Å; I454-Y458 VanDerWaalsContact O-N 3.16Å
455	F	98.6	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.9	-44.5	174.2	-85.1	-80.1	0	0	0	112.2	L47 P48 W149 M153 I219 S222 L223 K226 V278 L279 G451 Y457 Y458 Y459	L47-F455 HydrophobicContact CD2-CD2 3.59Å; L47-F455 HydrophobicContact CD2-CE2 4.03Å; L47-F455 HydrophobicContact CD2-CG 4.41Å; P48-F455 HydrophobicContact CG-CE2 3.97Å; P48-F455 HydrophobicContact CG-CZ 4.06Å; W149-F455 HydrophobicContact CH2-CB 4.18Å; W149-F455 HydrophobicContact CZ2-CB 4.34Å; M153-F455 HydrophobicContact CE-CB 4.26Å; I219-F455 HydrophobicContact CD1-CD1 4.16Å; I219-F455 HydrophobicContact CD1-CE1 3.72Å; I219-F455 HydrophobicContact CD1-CZ 4.03Å; S222-F455 WeakPolarHBondContact OG-CE1 3.46Å; S222-F455 VanDerWaalsContact OG-CZ 3.28Å; S222-F455 WeakPolarHBondContact OG-CZ 3.45Å; L223-F455 HydrophobicContact CD2-CD1 3.69Å; L223-F455 HydrophobicContact CD2-CE1 4.36Å; L223-F455 HydrophobicContact CG-CD1 4.06Å; L223-F455 HydrophobicContact CG-CE1 4.27Å; K226-F455 HydrophobicContact CD-CD1 4.16Å; K226-F455 HydrophobicContact CD-CE1 3.87Å; K226-F455 HydrophobicContact CD-CZ 4.39Å; V278-F455 HydrophobicContact CG1-CD2 4.25Å; V278-F455 HydrophobicContact CG1-CE2 3.84Å; L279-F455 HydrophobicContact CD2-CE2 4.49Å; L279-F455 HydrophobicContact CD2-CZ 3.81Å; G451-F455 VanDerWaalsContact O-CD2 3.27Å; G451-F455 WeakPolarHBondContact O-CD2 3.14Å; G451-F455 PolarHBondContact O-N 2.77Å; F455-Y457 VanDerWaalsContact C-N 3.32Å; F455-Y457 PolarHBondContact O-N 3.45Å; F455-Y458 PolarHBondContact O-N 3.45Å; F455-Y459 WeakPolarHBondContact O-CB 3.44Å; F455-Y459 PolarHBondContact O-N 3.16Å
456	C	98.7	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.2	-39.4	175.9	-73.6	0	0	0	0	112.8	C155 F159 D452 R453 T460	C155-C456 WeakPolarHBondContact CA-SG 3.41Å; C155-C456 HydrophobicContact CB-CB 3.66Å; C155-C456 WeakPolarHBondContact CB-SG 3.29Å; C155-C456 VanDerWaalsContact SG-CA 3.59Å; C155-C456 WeakPolarHBondContact SG-CB 3.36Å; C155-C456 CovalentContact SG-SG 2.04Å; C155-C456 PolarHBondContact SG-SG 2.89Å; F159-C456 HydrophobicContact CE2-CB 4.27Å; F159-C456 HydrophobicContact CZ-CB 3.88Å; D452-C456 WeakPolarHBondContact O-CB 3.33Å; D452-C456 PolarHBondContact O-N 3.39Å; D452-C456 PolarHBondContact O-SG 3.22Å; R453-C456 PolarHBondContact O-N 3.36Å; C456-T460 VanDerWaalsContact O-CB 3.3Å; C456-T460 WeakPolarHBondContact O-CB 3.44Å; C456-T460 PolarHBondContact O-N 3.22Å; C456-T460 PolarHBondContact O-OG1 3.2Å
457	Y	98.8	Very high	98.2	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-52.2	178	-169.7	-76	0	0	0	111	F159 Q161 I162 V268 P270 H399 R453 I454 F455 Y459 T460 L461	F159-Y457 HydrophobicContact CB-CD2 4.18Å; F159-Y457 HydrophobicContact CB-CE2 4.1Å; F159-Y457 AromaticContact CD1-CD2 3.56Å; F159-Y457 HydrophobicContact CD1-CD2 3.56Å; F159-Y457 HydrophobicContact CD1-CE2 4.19Å; F159-Y457 HydrophobicContact CD1-CG 4.49Å; F159-Y457 HydrophobicContact CD2-CD2 4.39Å; F159-Y457 AromaticContact CE1-CD2 3.94Å; F159-Y457 HydrophobicContact CE1-CD2 3.94Å; F159-Y457 AromaticContact CG-CD2 3.79Å; F159-Y457 HydrophobicContact CG-CD2 3.79Å; F159-Y457 HydrophobicContact CG-CE2 4.23Å; Q161-Y457 HydrophobicContact CB-CE2 4.33Å; Q161-Y457 VanDerWaalsContact CG-OH 3.32Å; Q161-Y457 WeakPolarHBondContact CG-OH 3.37Å; I162-Y457 HydrophobicContact CD1-CD1 4.04Å; I162-Y457 HydrophobicContact CD1-CD2 4.09Å; I162-Y457 HydrophobicContact CD1-CE1 3.93Å; I162-Y457 HydrophobicContact CD1-CE2 3.99Å; I162-Y457 HydrophobicContact CD1-CG 4.12Å; I162-Y457 WeakPolarHBondContact CD1-O 3.5Å; I162-Y457 HydrophobicContact CG1-CD1 4.41Å; I162-Y457 HydrophobicContact CG1-CD2 4.34Å; I162-Y457 HydrophobicContact CG1-CE1 3.8Å; I162-Y457 HydrophobicContact CG1-CE2 3.72Å; I162-Y457 VanDerWaalsContact CG1-CZ 3.41Å; V268-Y457 WeakPolarHBondContact O-CE1 3.31Å; V268-Y457 PolarHBondContact O-OH 2.8Å; P270-Y457 VanDerWaalsContact CD-CD1 3.48Å; P270-Y457 HydrophobicContact CG-CD1 3.89Å; P270-Y457 HydrophobicContact CG-CE1 4.46Å; P270-Y457 HydrophobicContact CG-CG 4.22Å; H399-Y457 HydrophobicContact CB-CE1 4.33Å; H399-Y457 HydrophobicContact CB-CE2 4.01Å; H399-Y457 AromaticContact CD2-CD2 3.84Å; H399-Y457 AromaticContact CD2-CE2 3.79Å; R453-Y457 PolarHBondContact O-N 2.88Å; I454-Y457 PolarHBondContact O-N 3.46Å; F455-Y457 VanDerWaalsContact C-N 3.32Å; F455-Y457 PolarHBondContact O-N 3.45Å; Y457-Y459 PolarHBondContact O-N 3.37Å; Y457-T460 PolarHBondContact O-N 3.43Å; Y457-L461 HydrophobicContact CE1-CD2 4.27Å; Y457-L461 VanDerWaalsContact O-CB 3.3Å; Y457-L461 WeakPolarHBondContact O-CB 3.27Å; Y457-L461 PolarHBondContact O-N 2.88Å
458	Y	98.8	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61	-45.9	179.2	-82.7	-72.8	0	0	0	112.4	I219 L223 M269 P270 T275 I454 F455 T460 L461 F462	I219-Y458 HydrophobicContact CD1-CD2 4.12Å; I219-Y458 HydrophobicContact CD1-CE2 4.34Å; I219-Y458 HydrophobicContact CG1-CD1 4.43Å; I219-Y458 HydrophobicContact CG1-CD2 3.65Å; I219-Y458 HydrophobicContact CG1-CE1 4.48Å; I219-Y458 HydrophobicContact CG1-CE2 3.71Å; I219-Y458 HydrophobicContact CG1-CG 4.03Å; I219-Y458 HydrophobicContact CG2-CE1 4.23Å; L223-Y458 HydrophobicContact CD1-CG 4.37Å; M269-Y458 HydrophobicContact CB-CE1 4.06Å; M269-Y458 HydrophobicContact SD-CE1 4.18Å; P270-Y458 HydrophobicContact CB-CE2 3.84Å; P270-Y458 HydrophobicContact CG-CD2 4.16Å; P270-Y458 HydrophobicContact CG-CE2 3.69Å; P270-Y458 PolarHBondContact O-OH 3Å; T275-Y458 HydrophobicContact CG2-CE2 4.08Å; T275-Y458 WeakPolarHBondContact OG1-CE2 3.28Å; T275-Y458 PolarHBondContact OG1-OH 3.4Å; I454-Y458 HydrophobicContact CG2-CD2 4Å; I454-Y458 HydrophobicContact CG2-CE2 3.87Å; I454-Y458 WeakPolarHBondContact O-CD2 3.33Å; I454-Y458 PolarHBondContact O-N 3.02Å; I454-Y458 VanDerWaalsContact O-N 3.16Å; F455-Y458 PolarHBondContact O-N 3.45Å; Y458-T460 PolarHBondContact O-N 3.18Å; Y458-L461 PolarHBondContact O-N 3.24Å; Y458-F462 AromaticContact CD1-CE2 3.96Å; Y458-F462 HydrophobicContact CD1-CE2 3.96Å; Y458-F462 HydrophobicContact CD1-CZ 4.13Å; Y458-F462 WeakPolarHBondContact O-CD2 3.41Å; Y458-F462 PolarHBondContact O-N 2.83Å
459	Y	98.8	Very high	98.3	Very high	13 Å²	13	21.6 Å²	21.6	5%	0.051	10%	0.098	C	C	.	.	H	α-helix	trans	-58.5	-48.8	178.2	179.3	-94.7	0	0	0	111.6	G146 W149 E150 V227 L229 F455 Y457 L461 F462 K463	G146-Y459 WeakPolarHBondContact CA-OH 3.38Å; W149-Y459 AromaticContact CE3-CD1 3.92Å; W149-Y459 HydrophobicContact CE3-CD1 3.92Å; W149-Y459 HydrophobicContact CE3-CD2 4.02Å; W149-Y459 HydrophobicContact CE3-CE1 4.35Å; W149-Y459 HydrophobicContact CE3-CE2 4.43Å; W149-Y459 AromaticContact CE3-CG 3.77Å; W149-Y459 HydrophobicContact CE3-CG 3.77Å; W149-Y459 HydrophobicContact CH2-CG 4.12Å; W149-Y459 AromaticContact CZ3-CD1 3.68Å; W149-Y459 HydrophobicContact CZ3-CD1 3.68Å; W149-Y459 AromaticContact CZ3-CD2 3.9Å; W149-Y459 HydrophobicContact CZ3-CD2 3.9Å; W149-Y459 AromaticContact CZ3-CG 3.32Å; W149-Y459 HydrophobicContact CZ3-CG 3.32Å; E150-Y459 HydrophobicContact CG-CD1 3.62Å; E150-Y459 HydrophobicContact CG-CE1 3.39Å; E150-Y459 WeakPolarHBondContact OE1-CE1 3.41Å; V227-Y459 HydrophobicContact CB-CE2 4.41Å; V227-Y459 HydrophobicContact CG1-CD2 3.61Å; V227-Y459 HydrophobicContact CG1-CE2 3.86Å; V227-Y459 HydrophobicContact CG2-CD2 4.21Å; V227-Y459 HydrophobicContact CG2-CE2 3.63Å; L229-Y459 HydrophobicContact CD2-CD2 3.66Å; L229-Y459 HydrophobicContact CD2-CE2 3.96Å; F455-Y459 WeakPolarHBondContact O-CB 3.44Å; F455-Y459 PolarHBondContact O-N 3.16Å; Y457-Y459 PolarHBondContact O-N 3.37Å; Y459-L461 VanDerWaalsContact C-N 3.31Å; Y459-L461 PolarHBondContact O-N 3.36Å; Y459-F462 PolarHBondContact O-N 2.8Å; Y459-K463 HydrophobicContact CE1-CB 4.38Å; Y459-K463 HydrophobicContact CE1-CD 3.91Å; Y459-K463 VanDerWaalsContact O-CB 3.31Å; Y459-K463 WeakPolarHBondContact O-CB 3.37Å; Y459-K463 PolarHBondContact O-N 2.66Å
460	T	98.8	Very high	98.4	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-62	-41.1	178.7	-54.5	0	0	0	0	111	F159 I162 C456 Y457 Y458 K463 E464	F159-T460 HydrophobicContact CD2-CG2 4.02Å; F159-T460 HydrophobicContact CE2-CG2 4.45Å; I162-T460 HydrophobicContact CD1-CG2 4.09Å; C456-T460 VanDerWaalsContact O-CB 3.3Å; C456-T460 WeakPolarHBondContact O-CB 3.44Å; C456-T460 PolarHBondContact O-N 3.22Å; C456-T460 PolarHBondContact O-OG1 3.2Å; Y457-T460 PolarHBondContact O-N 3.43Å; Y458-T460 PolarHBondContact O-N 3.18Å; T460-K463 PolarHBondContact O-N 2.95Å; T460-E464 HydrophobicContact CG2-CG 4.06Å; T460-E464 WeakPolarHBondContact O-CB 3.48Å; T460-E464 WeakPolarHBondContact O-CG 3.41Å; T460-E464 PolarHBondContact O-N 3.34Å
461	L	98.9	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-50.8	178.4	175.8	58.5	0	0	0	111.6	I162 F256 I267 M269 Y457 Y458 Y459 Y465	I162-L461 HydrophobicContact CD1-CB 3.88Å; I162-L461 HydrophobicContact CG1-CB 4.44Å; I162-L461 HydrophobicContact CG1-CD1 4.45Å; I162-L461 HydrophobicContact CG2-CD1 4.14Å; F256-L461 HydrophobicContact CD2-CD2 3.82Å; F256-L461 HydrophobicContact CD2-CG 4.44Å; F256-L461 HydrophobicContact CE2-CD1 4.09Å; F256-L461 HydrophobicContact CE2-CD2 3.52Å; F256-L461 HydrophobicContact CE2-CG 3.64Å; F256-L461 HydrophobicContact CZ-CD1 4.18Å; F256-L461 HydrophobicContact CZ-CD2 4.41Å; F256-L461 HydrophobicContact CZ-CG 4.16Å; I267-L461 HydrophobicContact CG2-CD1 3.58Å; M269-L461 HydrophobicContact CB-CD2 4.07Å; Y457-L461 HydrophobicContact CE1-CD2 4.27Å; Y457-L461 VanDerWaalsContact O-CB 3.3Å; Y457-L461 WeakPolarHBondContact O-CB 3.27Å; Y457-L461 PolarHBondContact O-N 2.88Å; Y458-L461 PolarHBondContact O-N 3.24Å; Y459-L461 VanDerWaalsContact C-N 3.31Å; Y459-L461 PolarHBondContact O-N 3.36Å; L461-Y465 WeakPolarHBondContact O-CB 3.49Å; L461-Y465 PolarHBondContact O-N 3.33Å
462	F	98.8	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.1	-37.6	179.1	-63.1	-55.1	0	0	0	112.5	M216 L220 L223 F234 F256 Y458 Y459 S466	M216-F462 HydrophobicContact CE-CE1 4.21Å; M216-F462 HydrophobicContact CE-CZ 3.56Å; L220-F462 HydrophobicContact CD2-CE1 4.29Å; L220-F462 HydrophobicContact CD2-CE2 3.68Å; L220-F462 HydrophobicContact CD2-CZ 3.53Å; L223-F462 HydrophobicContact CD1-CD2 4.35Å; L223-F462 HydrophobicContact CD1-CE2 3.99Å; F234-F462 HydrophobicContact CD1-CD1 4.45Å; F234-F462 HydrophobicContact CD1-CE1 4.35Å; F234-F462 HydrophobicContact CD2-CE1 4.28Å; F234-F462 HydrophobicContact CE1-CD1 4.12Å; F234-F462 AromaticContact CE1-CE1 3.84Å; F234-F462 HydrophobicContact CE1-CE1 3.84Å; F234-F462 AromaticContact CE2-CE1 3.76Å; F234-F462 HydrophobicContact CE2-CE1 3.76Å; F234-F462 HydrophobicContact CE2-CZ 4.41Å; F234-F462 HydrophobicContact CZ-CD1 4.27Å; F234-F462 AromaticContact CZ-CE1 3.52Å; F234-F462 HydrophobicContact CZ-CE1 3.52Å; F234-F462 HydrophobicContact CZ-CZ 4.13Å; F256-F462 HydrophobicContact CD2-CE1 4.44Å; F256-F462 HydrophobicContact CE2-CD1 4.18Å; F256-F462 AromaticContact CE2-CE1 3.85Å; F256-F462 HydrophobicContact CE2-CE1 3.85Å; Y458-F462 AromaticContact CD1-CE2 3.96Å; Y458-F462 HydrophobicContact CD1-CE2 3.96Å; Y458-F462 HydrophobicContact CD1-CZ 4.13Å; Y458-F462 WeakPolarHBondContact O-CD2 3.41Å; Y458-F462 PolarHBondContact O-N 2.83Å; Y459-F462 PolarHBondContact O-N 2.8Å; F462-S466 VanDerWaalsContact O-CB 3.29Å; F462-S466 WeakPolarHBondContact O-CB 3.44Å; F462-S466 PolarHBondContact O-N 2.48Å; F462-S466 PolarHBondContact O-OG 2.76Å
463	K	98.5	Very high	98.4	Very high	29 Å²	29	33.3 Å²	33.3	13%	0.126	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-47.3	176.9	-176.1	-172.6	70.8	-179.5	0	112.3	E150 Y459 T460 S466 R467	E150-K463 IonicContact OE1-NZ 3.51Å; E150-K463 PolarHBondContact OE1-NZ 2.95Å; E150-K463 IonicContact OE2-NZ 3.97Å; E150-K463 PolarHBondContact OE2-NZ 3.38Å; Y459-K463 HydrophobicContact CE1-CB 4.38Å; Y459-K463 HydrophobicContact CE1-CD 3.91Å; Y459-K463 VanDerWaalsContact O-CB 3.31Å; Y459-K463 WeakPolarHBondContact O-CB 3.37Å; Y459-K463 PolarHBondContact O-N 2.66Å; T460-K463 PolarHBondContact O-N 2.95Å; K463-S466 PolarHBondContact O-OG 2.96Å; K463-R467 WeakPolarHBondContact O-CG 3.5Å
464	E	98.6	Very high	98.4	Very high	56 Å²	56	34.5 Å²	34.5	26%	0.262	16%	0.162	S	C	.	.	H	α-helix	trans	-74.5	-37.2	-179.4	-63.9	-51.8	141.6	0	0	111.5	I162 L166 T460 R467	I162-E464 HydrophobicContact CG2-CB 4.49Å; L166-E464 HydrophobicContact CD1-CB 3.63Å; T460-E464 HydrophobicContact CG2-CG 4.06Å; T460-E464 WeakPolarHBondContact O-CB 3.48Å; T460-E464 WeakPolarHBondContact O-CG 3.41Å; T460-E464 PolarHBondContact O-N 3.34Å; E464-R467 PolarHBondContact O-N 2.77Å; E464-R467 IonicContact OE1-CZ 3.15Å; E464-R467 IonicContact OE1-NH1 3.77Å; E464-R467 PolarHBondContact OE1-NH1 3.46Å; E464-R467 IonicContact OE1-NH2 3.74Å; E464-R467 IonicContact OE2-CZ 3.81Å; E464-R467 IonicContact OE2-NH1 2.74Å; E464-R467 PolarHBondContact OE2-NH1 2.74Å
465	Y	98.8	Very high	98.4	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-37.3	176.9	-177.8	-102.8	0	0	0	112.7	L166 V172 V232 E233 F234 P254 F256 I267 L461 R467 L468	L166-Y465 HydrophobicContact CD2-CD2 3.83Å; V172-Y465 HydrophobicContact CG1-CE2 4.32Å; V172-Y465 WeakPolarHBondContact CG1-OH 3.39Å; V172-Y465 HydrophobicContact CG2-CD2 4.48Å; V172-Y465 HydrophobicContact CG2-CE2 3.76Å; V232-Y465 HydrophobicContact CG2-CD1 3.66Å; V232-Y465 HydrophobicContact CG2-CE1 4.15Å; E233-Y465 WeakPolarHBondContact O-CE1 3.16Å; F234-Y465 HydrophobicContact CB-CD1 4.28Å; F234-Y465 HydrophobicContact CB-CE1 3.63Å; P254-Y465 HydrophobicContact CB-CE2 3.72Å; P254-Y465 WeakPolarHBondContact CB-OH 3.35Å; P254-Y465 HydrophobicContact CG-CE2 4.23Å; P254-Y465 VanDerWaalsContact CG-OH 3.23Å; P254-Y465 WeakPolarHBondContact CG-OH 3.32Å; F256-Y465 HydrophobicContact CE1-CD1 4.09Å; F256-Y465 AromaticContact CE1-CD2 3.87Å; F256-Y465 HydrophobicContact CE1-CD2 3.87Å; F256-Y465 HydrophobicContact CE1-CE1 4.06Å; F256-Y465 AromaticContact CE1-CE2 3.84Å; F256-Y465 HydrophobicContact CE1-CE2 3.84Å; F256-Y465 AromaticContact CE1-CG 3.98Å; F256-Y465 HydrophobicContact CE1-CG 3.98Å; F256-Y465 AromaticContact CE1-CZ 3.93Å; F256-Y465 AromaticContact CZ-CD1 3.82Å; F256-Y465 HydrophobicContact CZ-CD1 3.82Å; F256-Y465 HydrophobicContact CZ-CD2 4.02Å; F256-Y465 HydrophobicContact CZ-CE1 4.22Å; F256-Y465 HydrophobicContact CZ-CE2 4.4Å; F256-Y465 AromaticContact CZ-CG 3.7Å; F256-Y465 HydrophobicContact CZ-CG 3.7Å; I267-Y465 HydrophobicContact CD1-CD2 4Å; I267-Y465 HydrophobicContact CD1-CE2 3.84Å; L461-Y465 WeakPolarHBondContact O-CB 3.49Å; L461-Y465 PolarHBondContact O-N 3.33Å; Y465-R467 VanDerWaalsContact C-N 3.26Å; Y465-R467 PolarHBondContact O-N 2.88Å; Y465-L468 WeakPolarHBondContact O-CB 3.48Å; Y465-L468 PolarHBondContact O-N 3.07Å; Y465-L468 VanDerWaalsContact O-N 3.14Å
466	S	98.6	Very high	98.3	Very high	22 Å²	22	40.3 Å²	40.3	15%	0.154	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-32.6	178.3	71.5	0	0	0	0	112.6	P230 F462 K463 L468 Q469	P230-S466 WeakPolarHBondContact CG-OG 3.25Å; F462-S466 VanDerWaalsContact O-CB 3.29Å; F462-S466 WeakPolarHBondContact O-CB 3.44Å; F462-S466 PolarHBondContact O-N 2.48Å; F462-S466 PolarHBondContact O-OG 2.76Å; K463-S466 PolarHBondContact O-OG 2.96Å; S466-L468 PolarHBondContact O-N 3.12Å; S466-Q469 WeakPolarHBondContact O-CB 3.39Å; S466-Q469 PolarHBondContact O-N 3.09Å; S466-Q469 VanDerWaalsContact O-N 3.08Å
467	R	98.3	Very high	98.2	Very high	160 Å²	160	48.9 Å²	48.9	60%	0.604	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.3	176.2	-69.7	174.5	179.1	162.7	2.7	113.8	K463 E464 Y465 Q469	K463-R467 WeakPolarHBondContact O-CG 3.5Å; E464-R467 PolarHBondContact O-N 2.77Å; E464-R467 IonicContact OE1-CZ 3.15Å; E464-R467 IonicContact OE1-NH1 3.77Å; E464-R467 PolarHBondContact OE1-NH1 3.46Å; E464-R467 IonicContact OE1-NH2 3.74Å; E464-R467 IonicContact OE2-CZ 3.81Å; E464-R467 IonicContact OE2-NH1 2.74Å; E464-R467 PolarHBondContact OE2-NH1 2.74Å; Y465-R467 VanDerWaalsContact C-N 3.26Å; Y465-R467 PolarHBondContact O-N 2.88Å; R467-Q469 VanDerWaalsContact C-N 3.31Å
468	L	98.5	Very high	98.1	Very high	38 Å²	38	51.3 Å²	51.3	20%	0.199	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.5	177.2	-58.3	176.9	0	0	0	112.2	L166 S171 V172 Y465 S466 I470	L166-L468 HydrophobicContact CB-CD1 4.23Å; L166-L468 HydrophobicContact CD2-CD1 4.26Å; S171-L468 CarbonylContact C-O 3.44Å; S171-L468 WeakPolarHBondContact CA-O 3.34Å; V172-L468 HydrophobicContact CB-CB 4.27Å; V172-L468 HydrophobicContact CG2-CB 3.87Å; V172-L468 HydrophobicContact CG2-CD1 4.47Å; V172-L468 PolarHBondContact N-O 2.93Å; Y465-L468 WeakPolarHBondContact O-CB 3.48Å; Y465-L468 PolarHBondContact O-N 3.07Å; Y465-L468 VanDerWaalsContact O-N 3.14Å; S466-L468 PolarHBondContact O-N 3.12Å; L468-I470 PolarHBondContact O-N 2.8Å
469	Q	98.6	Very high	98.1	Very high	26 Å²	26	52.4 Å²	52.4	12%	0.121	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-78.4	124.2	-174.2	-59.1	-162.9	1.8	0	0	112.1	V172 P174 E233 S466 R467	V172-Q469 HydrophobicContact CB-CG 4.21Å; V172-Q469 HydrophobicContact CG1-CG 4.06Å; V172-Q469 VanDerWaalsContact O-CA 3.27Å; V172-Q469 WeakPolarHBondContact O-CA 3.39Å; P174-Q469 HydrophobicContact CG-CB 4.04Å; P174-Q469 HydrophobicContact CG-CG 4.11Å; P174-Q469 VanDerWaalsContact CG-OE1 3.26Å; E233-Q469 PolarHBondContact O-NE2 3.08Å; S466-Q469 WeakPolarHBondContact O-CB 3.39Å; S466-Q469 PolarHBondContact O-N 3.09Å; S466-Q469 VanDerWaalsContact O-N 3.08Å; R467-Q469 VanDerWaalsContact C-N 3.31Å
470	I	98.1	Very high	98.1	Very high	107 Å²	107	57 Å²	57	55%	0.549	28%	0.284	S	S	.	.	S	Bend	trans	-94.3	-12.2	-176.4	63.3	170.3	0	0	0	113.8	V172 D173 L468	V172-I470 WeakPolarHBondContact O-CG1 3.43Å; V172-I470 PolarHBondContact O-N 2.86Å; D173-I470 HydrophobicContact CB-CD1 3.99Å; D173-I470 HydrophobicContact CB-CG1 4.07Å; L468-I470 PolarHBondContact O-N 2.8Å
471	T	97.2	Very high	98.1	Very high	39 Å²	39	61.6 Å²	61.6	24%	0.239	30%	0.304	C	S	.	.	S	Bend	trans	-120	155.5	171.3	69	0	0	0	0	110.1	P174 D175 P473	P174-T471 VanDerWaalsContact CD-OG1 3.29Å; P174-T471 WeakPolarHBondContact CD-OG1 3.37Å; D175-T471 PolarHBondContact OD2-OG1 2.91Å; T471-P473 WeakPolarHBondContact O-CD 3.35Å
472	E	96.1	Very high	98	Very high	125 Å²	125	62.1 Å²	62.1	58%	0.584	31%	0.308	S	S	*	.			trans	-66	129.7	178.4	-169.5	-177.3	172.8	0	0	110.6	K197 K474	K197-E472 IonicContact NZ-OE1 3.24Å; K197-E472 PolarHBondContact NZ-OE1 3.14Å; E472-K474 WeakPolarHBondContact O-CE 3.48Å; E472-K474 WeakPolarHBondContact O-CG 3.35Å
473	P	97.9	Very high	97.9	Very high	11 Å²	11	68.2 Å²	68.2	7%	0.071	34%	0.336	C	S	.	.			trans	-59	134.9	171.3	-24.8	34.9	0	0	0	111.6	T195 K197 D231 E233 T471	T195-P473 HydrophobicContact CG2-CB 4.29Å; K197-P473 PolarHBondContact NZ-O 2.94Å; D231-P473 HydrophobicContact CB-CB 4.33Å; D231-P473 HydrophobicContact CB-CG 4.07Å; E233-P473 HydrophobicContact CB-CB 4.11Å; T471-P473 WeakPolarHBondContact O-CD 3.35Å
474	K	97.7	Very high	97.7	Very high	90 Å²	90	69 Å²	69	39%	0.391	34%	0.34	S	S	.	.			trans	-130.2	146.7	-176.5	-64.2	158.7	-161.3	161.4	0	110.8	D175 T195 E472 R476	D175-K474 IonicContact OD1-NZ 2.92Å; D175-K474 PolarHBondContact OD1-NZ 3.31Å; D175-K474 IonicContact OD2-NZ 3.63Å; D175-K474 PolarHBondContact OD2-NZ 3.49Å; T195-K474 WeakPolarHBondContact CG2-O 3.2Å; T195-K474 PolarHBondContact OG1-O 2.88Å; E472-K474 WeakPolarHBondContact O-CE 3.48Å; E472-K474 WeakPolarHBondContact O-CG 3.35Å; K474-R476 PolarHBondContact O-N 3.18Å
475	V	98.5	Very high	97.3	Very high	69 Å²	69	70.7 Å²	70.7	42%	0.418	36%	0.356	S	S	.	.			trans	-73.4	110.3	165.8	-175.9	0	0	0	0	107.2	K197 Y202 M479	K197-V475 HydrophobicContact CB-CG2 4.03Å; K197-V475 HydrophobicContact CG-CG2 4.33Å; Y202-V475 HydrophobicContact CD1-CG1 3.68Å; Y202-V475 HydrophobicContact CD1-CG2 4.16Å; Y202-V475 HydrophobicContact CD2-CG1 4.47Å; Y202-V475 HydrophobicContact CD2-CG2 3.57Å; Y202-V475 HydrophobicContact CE1-CG1 4.1Å; Y202-V475 HydrophobicContact CE1-CG2 4.2Å; Y202-V475 HydrophobicContact CE2-CG2 3.61Å; Y202-V475 HydrophobicContact CG-CG1 3.89Å; Y202-V475 HydrophobicContact CG-CG2 3.85Å; V475-M479 HydrophobicContact CG1-CB 4.2Å
476	R	97.7	Very high	96.5	Very high	54 Å²	54	78.8 Å²	78.8	20%	0.204	39%	0.391	C	S	.	.			trans	-87	159.8	-174.2	-58.3	-166.2	-177.7	-87.3	-6	112	P174 D175 E233 K474 G478 M479	P174-R476 PolarHBondContact O-NH2 3.47Å; D175-R476 IonicContact OD1-CZ 3.6Å; D175-R476 IonicContact OD1-NH1 3.4Å; D175-R476 PolarHBondContact OD1-NH1 3.35Å; D175-R476 IonicContact OD1-NH2 3.13Å; D175-R476 PolarHBondContact OD1-NH2 3.11Å; E233-R476 VanDerWaalsContact CD-NE 3.25Å; E233-R476 VanDerWaalsContact CD-NH2 3.26Å; E233-R476 IonicContact OE1-CZ 3.35Å; E233-R476 IonicContact OE1-NE 2.77Å; E233-R476 PolarHBondContact OE1-NE 2.83Å; E233-R476 IonicContact OE1-NH2 2.91Å; E233-R476 PolarHBondContact OE1-NH2 2.58Å; E233-R476 IonicContact OE2-CZ 3.85Å; E233-R476 IonicContact OE2-NE 3.74Å; E233-R476 PolarHBondContact OE2-NE 3.47Å; E233-R476 IonicContact OE2-NH2 2.85Å; E233-R476 PolarHBondContact OE2-NH2 3.05Å; K474-R476 PolarHBondContact O-N 3.18Å; R476-G478 PolarHBondContact O-N 2.81Å; R476-M479 HydrophobicContact CB-CE 4.04Å; R476-M479 HydrophobicContact CB-CG 4.24Å; R476-M479 HydrophobicContact CB-SD 3.97Å; R476-M479 HydrophobicContact CG-CE 4.08Å; R476-M479 HydrophobicContact CG-SD 4.32Å; R476-M479 PolarHBondContact N-SD 3.47Å; R476-M479 WeakPolarHBondContact O-CB 3.44Å; R476-M479 WeakPolarHBondContact O-CG 3.46Å; R476-M479 PolarHBondContact O-N 2.69Å
477	E	96.9	Very high	95.4	Very high	180 Å²	180	80.8 Å²	80.8	84%	0.841	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	128	176.9	-170.1	-174.8	173.4	0	0	111.9	K204	K204-E477 PolarHBondContact NZ-O 3.25Å
478	G	96.6	Very high	94.2	Very high	54 Å²	54	79.9 Å²	79.9	56%	0.557	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	13.7	-177.6	0	0	0	0	0	114.7	R476	R476-G478 PolarHBondContact O-N 2.81Å
479	M	98.4	Very high	93	Very high	23 Å²	23	84.8 Å²	84.8	11%	0.113	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-79.3	134.3	164.5	-72.7	-177.2	166.4	0	0	110.8	H193 T195 V203 K204 V475 R476	H193-M479 HydrophobicContact CB-CE 4.32Å; H193-M479 WeakPolarHBondContact ND1-CE 3.16Å; T195-M479 VanDerWaalsContact OG1-CE 3.32Å; T195-M479 WeakPolarHBondContact OG1-CE 3.26Å; T195-M479 PolarHBondContact OG1-SD 2.56Å; T195-M479 VanDerWaalsContact OG1-SD 3.42Å; V203-M479 CarbonylContact O-C 3.55Å; V203-M479 WeakPolarHBondContact O-CA 3.24Å; K204-M479 HydrophobicContact CB-CG 3.85Å; V475-M479 HydrophobicContact CG1-CB 4.2Å; R476-M479 HydrophobicContact CB-CE 4.04Å; R476-M479 HydrophobicContact CB-CG 4.24Å; R476-M479 HydrophobicContact CB-SD 3.97Å; R476-M479 HydrophobicContact CG-CE 4.08Å; R476-M479 HydrophobicContact CG-SD 4.32Å; R476-M479 PolarHBondContact N-SD 3.47Å; R476-M479 WeakPolarHBondContact O-CB 3.44Å; R476-M479 WeakPolarHBondContact O-CG 3.46Å; R476-M479 PolarHBondContact O-N 2.69Å
480	E	98.2	Very high	92	Very high	109 Å²	109	85.5 Å²	85.5	51%	0.509	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.4	174.9	-61.5	171.1	169.8	0	0	109.9	Y202 V203 R213	Y202-E480 CarbonylContact C-O 3.58Å; Y202-E480 WeakPolarHBondContact CA-O 3.27Å; V203-E480 PolarHBondContact N-O 2.95Å; V203-E480 PolarHBondContact O-N 2.93Å; R213-E480 IonicContact NH1-OE2 3.06Å; R213-E480 PolarHBondContact NH1-OE2 3.49Å
481	F	98.4	Very high	91	Very high	100 Å²	100	85.8 Å²	85.8	44%	0.439	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.2	169	176.3	-122.2	0	0	0	109.9	K200 V201 Y202 E483	K200-F481 HydrophobicContact CB-CD2 4.46Å; K200-F481 HydrophobicContact CB-CE2 3.86Å; K200-F481 HydrophobicContact CD-CE2 4.25Å; K200-F481 HydrophobicContact CG-CE2 4.08Å; V201-F481 WeakPolarHBondContact O-CD2 3.48Å; Y202-F481 HydrophobicContact CD1-CB 4.06Å; Y202-F481 HydrophobicContact CD1-CD2 4.2Å; Y202-F481 HydrophobicContact CE1-CB 3.94Å; Y202-F481 AromaticContact CE1-CD2 3.78Å; Y202-F481 HydrophobicContact CE1-CD2 3.78Å; Y202-F481 HydrophobicContact CE1-CG 4.25Å; F481-E483 HydrophobicContact CD1-CG 3.79Å; F481-E483 HydrophobicContact CE1-CB 4.36Å; F481-E483 HydrophobicContact CE1-CG 3.81Å
482	V	98.1	Very high	90.4	Very high	12 Å²	12	86 Å²	86	7%	0.073	45%	0.447	C	S	.	.			trans	-92.8	106.9	175.1	-169.2	0	0	0	0	108.2	V201 V203 D217 L221	V201-V482 HydrophobicContact CB-CB 4.15Å; V201-V482 HydrophobicContact CB-CG2 4.42Å; V201-V482 HydrophobicContact CG1-CB 4.12Å; V201-V482 HydrophobicContact CG1-CG2 3.93Å; V201-V482 PolarHBondContact O-N 2.68Å; V203-V482 HydrophobicContact CB-CG2 4.29Å; V203-V482 HydrophobicContact CG1-CG2 3.48Å; V203-V482 VanDerWaalsContact CG1-CG2 3.48Å; D217-V482 HydrophobicContact CB-CG1 4.08Å; L221-V482 HydrophobicContact CD1-CG1 3.88Å; L221-V482 HydrophobicContact CD2-CB 4.46Å; L221-V482 HydrophobicContact CD2-CG1 4.11Å; L221-V482 HydrophobicContact CG-CG1 4.18Å
483	E	96.5	Very high	89.9	Confident	127 Å²	127	83.7 Å²	83.7	59%	0.593	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-70.3	142.5	-177	-60.9	-167.4	165.6	0	0	112.3	L221 F481	L221-E483 WeakPolarHBondContact CD1-O 3.05Å; F481-E483 HydrophobicContact CD1-CG 3.79Å; F481-E483 HydrophobicContact CE1-CB 4.36Å; F481-E483 HydrophobicContact CE1-CG 3.81Å
484	Q	94.7	Very high	89.3	Confident	47 Å²	47	84.1 Å²	84.1	22%	0.22	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-63.8	143	166.7	-72.1	-70.1	0.9	0	0	110	L221 T224 K486	L221-Q484 HydrophobicContact CD2-CG 4.4Å; L221-Q484 PolarHBondContact O-NE2 3.45Å; T224-Q484 PolarHBondContact OG1-NE2 2.66Å; Q484-K486 PolarHBondContact O-N 3.03Å
485	P	89.5	Confident	88.7	Confident	91 Å²	91	83.4 Å²	83.4	59%	0.591	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-59.9	137.2	171.6	-18.7	31.9	0	0	0	110.2
486	K	82.1	Confident	87.9	Confident	170 Å²	170	82.5 Å²	82.5	74%	0.739	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-85	128.9	173.3	-62.3	178.3	-176.6	173.7	0	109.1	Q484	Q484-K486 PolarHBondContact O-N 3.03Å
487	D	75.5	Confident	86.1	Confident	64 Å²	64	84.9 Å²	84.9	34%	0.342	46%	0.458	S	S	.	.			trans	-115.7	84.7	168.9	-166.9	-19.2	0	0	0	109.3	L489 F490	D487-L489 PolarHBondContact O-N 3.03Å; D487-L489 PolarHBondContact OD1-N 2.92Å; D487-L489 VanDerWaalsContact OD1-N 3.15Å; D487-F490 PolarHBondContact OD1-N 2.84Å
488	D	71.9	Confident	83.8	Confident	142 Å²	142	81.5 Å²	81.5	76%	0.759	45%	0.45	S	S	*	.	S	Bend	trans	-72.7	-16	179.9	-61.2	-29.3	0	0	0	112
489	L	74.1	Confident	81.1	Confident	141 Å²	141	82.7 Å²	82.7	74%	0.738	45%	0.454	S	S	*	.	S	Bend	trans	-83.1	-28.7	-178.4	-63.1	175.7	0	0	0	111.8	D487	D487-L489 PolarHBondContact O-N 3.03Å; D487-L489 PolarHBondContact OD1-N 2.92Å; D487-L489 VanDerWaalsContact OD1-N 3.15Å
490	F	77.9	Confident	78.3	Confident	40 Å²	40	89.9 Å²	89.9	18%	0.175	49%	0.485	C	S	.	.	S	Bend	trans	-136.6	68.8	-175.1	-58	-69.8	0	0	0	112.6	Y106 A107 D487 C492	Y106-F490 WeakPolarHBondContact O-CB 3.32Å; Y106-F490 VanDerWaalsContact O-CD1 3.29Å; Y106-F490 WeakPolarHBondContact O-CD1 3.47Å; Y106-F490 VanDerWaalsContact O-CD2 3.28Å; Y106-F490 WeakPolarHBondContact O-CD2 3.3Å; Y106-F490 WeakPolarHBondContact O-CG 3.43Å; A107-F490 HydrophobicContact CB-CD1 4.17Å; D487-F490 PolarHBondContact OD1-N 2.84Å; F490-C492 PolarHBondContact O-N 2.95Å
491	P	77.7	Confident	75.3	Confident	114 Å²	114	92 Å²	92	74%	0.74	50%	0.499	S	S	*	.			trans	-60	140.2	-179.6	25.9	-34.5	0	0	0	111.1
492	C	84.1	Confident	72.4	Confident	43 Å²	43	95.8 Å²	95.8	29%	0.291	52%	0.518	S	S	.	.			trans	-110.5	135.3	175.3	-167.3	0	0	0	0	110.8	T108 C139 F490	T108-C492 PolarHBondContact OG1-SG 2.78Å; C139-C492 HydrophobicContact CB-CB 3.55Å; C139-C492 WeakPolarHBondContact CB-SG 3.31Å; C139-C492 WeakPolarHBondContact SG-CB 3.16Å; C139-C492 CovalentContact SG-SG 2.02Å; C139-C492 PolarHBondContact SG-SG 3.25Å; F490-C492 PolarHBondContact O-N 2.95Å
493	S	84.3	Confident	69.2	Low	76 Å²	76	106.7 Å²	106.7	53%	0.531	58%	0.575	S	S	.	*			trans	-93.8	124	163.8	-178.3	0	0	0	0	109
494	C	86.9	Confident	67.8	Low	20 Å²	20	105.7 Å²	105.7	14%	0.135	57%	0.574	C	S	.	*			trans	-86.3	123.5	174	-175.8	0	0	0	0	110.6	C141 R496 T497	C141-C494 WeakPolarHBondContact CA-SG 3.49Å; C141-C494 HydrophobicContact CB-CB 3.54Å; C141-C494 WeakPolarHBondContact CB-SG 3.29Å; C141-C494 WeakPolarHBondContact SG-CA 3.5Å; C141-C494 WeakPolarHBondContact SG-CB 3Å; C141-C494 CovalentContact SG-SG 2.04Å; C141-C494 PolarHBondContact SG-SG 3.31Å; C494-R496 PolarHBondContact SG-N 2.78Å; C494-T497 HydrophobicContact CB-CG2 4.15Å; C494-T497 PolarHBondContact O-OG1 2.72Å
495	D	84.7	Confident	66.4	Low	76 Å²	76	108.8 Å²	108.8	41%	0.406	59%	0.593	S	S	.	*	S	Bend	trans	-94.3	-6.3	178.5	-60.4	-10.2	0	0	0	111	R133 Y135	R133-D495 WeakPolarHBondContact CG-OD2 2.82Å; R133-D495 IonicContact CZ-OD2 3.99Å; R133-D495 IonicContact NE-OD2 2.74Å; R133-D495 PolarHBondContact NE-OD2 2.85Å; R133-D495 IonicContact NH2-OD2 3.47Å; Y135-D495 WeakPolarHBondContact OH-CB 3.47Å; Y135-D495 PolarHBondContact OH-N 2.89Å
496	R	81.6	Confident	65.1	Low	50 Å²	50	109.8 Å²	109.8	19%	0.189	59%	0.593	C	S	.	*	S	Bend	trans	-86.8	-12.4	178.1	-60.9	175.7	174	163.7	-5.6	113.5	D44 C141 C494 V498	D44-R496 IonicContact OD1-NH2 2.71Å; D44-R496 PolarHBondContact OD1-NH2 2.92Å; D44-R496 VanDerWaalsContact OD1-NH2 3.15Å; C141-R496 PolarHBondContact O-NH1 3.32Å; C141-R496 VanDerWaalsContact O-NH1 3.09Å; C494-R496 PolarHBondContact SG-N 2.78Å; R496-V498 VanDerWaalsContact C-N 3.33Å
497	T	59.9	Low	64.1	Low	103 Å²	103	106.2 Å²	106.2	63%	0.632	58%	0.584	S	S	*	*			trans	-83.9	-2.7	-178.8	40.3	0	0	0	0	113.9	C494 A499	C494-T497 HydrophobicContact CB-CG2 4.15Å; C494-T497 PolarHBondContact O-OG1 2.72Å; T497-A499 PolarHBondContact O-N 3.36Å
498	V	48	Very low	63.4	Low	110 Å²	110	108.9 Å²	108.9	67%	0.667	60%	0.599	S	S	*	*			trans	-80.8	88.5	172.9	-170.3	0	0	0	0	108.4	R496 K500	R496-V498 VanDerWaalsContact C-N 3.33Å; V498-K500 PolarHBondContact O-N 2.99Å; V498-K500 VanDerWaalsContact O-N 3.1Å
499	A	40.9	Very low	62.8	Low	78 Å²	78	106.7 Å²	106.7	65%	0.645	59%	0.589	S	S	*	*			trans	-55.4	114.2	149.2	0	0	0	0	0	105.8	T497 D501	T497-A499 PolarHBondContact O-N 3.36Å; A499-D501 VanDerWaalsContact C-N 3.27Å; A499-D501 PolarHBondContact O-N 3.29Å
500	K	39.8	Very low	62	Low	175 Å²	175	104.2 Å²	104.2	76%	0.761	58%	0.578	S	S	*	*			trans	-64.3	103	159.7	-77.6	-176.6	176	-178.3	0	104.8	V498 E502	V498-K500 PolarHBondContact O-N 2.99Å; V498-K500 VanDerWaalsContact O-N 3.1Å; K500-E502 PolarHBondContact O-N 3.43Å
501	D	34.8	Very low	60.8	Low	152 Å²	152	109.2 Å²	109.2	81%	0.813	61%	0.609	S	S	*	*			trans	-60.1	98.2	155.5	-74.2	-28.8	0	0	0	105.3	A499 L503	A499-D501 VanDerWaalsContact C-N 3.27Å; A499-D501 PolarHBondContact O-N 3.29Å; D501-L503 PolarHBondContact O-N 3.36Å
502	E	36.4	Very low	59.4	Low	181 Å²	181	108.8 Å²	108.8	85%	0.846	60%	0.598	S	S	*	*			trans	-67.9	108.3	169.6	-68.8	-173.7	163	0	0	106.9	K500	K500-E502 PolarHBondContact O-N 3.43Å
503	L	31.3	Very low	57.2	Low	241 Å²	241	114.7 Å²	114.7	100%	1.262	63%	0.626	S	S	*	*			trans	-70.2	0	166.3	-92.5	160.9	0	0	0	111.4	D501	D501-L503 PolarHBondContact O-N 3.36Å

Retrieved 503 of 503 residues in 134.2 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).