A0A075BW43_HUMAN Loading...

Endoplasmic reticulum aminopeptidase 1 delta-Exon-14 isoform

AlphaFold DB , UniProt , Accession A0A075BW43, Species HUMAN (Homo sapiens, Human), Gene ERAP1, Length 654 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	32.7	Very low	241 Å²	241	160.8 Å²	160.8	100%	1.187	83%	0.834	S	S	*	*				0	130.4	0	-74.7	172.6	165.5	0	0	106.8
2	V	30.5	Very low	32.8	Very low	122 Å²	122	158 Å²	158	74%	0.739	83%	0.83	S	S	*	*			cis	-166.4	143.9	7.1	141.3	0	0	0	0	105.4
3	F	27.1	Very low	33.1	Very low	172 Å²	172	161.2 Å²	161.2	75%	0.754	84%	0.842	S	S	*	*			cis	-161.3	129	-6.1	-130.8	-135.4	0	0	0	110.3
4	L	31.8	Very low	33.7	Very low	150 Å²	150	157.4 Å²	157.4	79%	0.785	84%	0.836	S	S	*	*			trans	57.5	170.7	145	-79.7	158.8	0	0	0	120.4
5	P	43.9	Very low	33.8	Very low	100 Å²	100	157.6 Å²	157.6	65%	0.649	83%	0.827	S	S	*	*			trans	-127.9	-176.5	-140.4	46.1	-33.3	0	0	0	115.1
6	L	30.5	Very low	34.1	Very low	167 Å²	167	157.4 Å²	157.4	87%	0.874	83%	0.826	S	S	*	*			trans	-120.3	135.8	153.4	-121.3	84.4	0	0	0	112.1
7	K	31.4	Very low	34.2	Very low	191 Å²	191	158.3 Å²	158.3	83%	0.83	83%	0.83	S	S	*	*			trans	-79.1	145.7	-176.5	-62.3	169.3	176.6	175.5	0	111.3
8	W	31	Very low	34.3	Very low	252 Å²	252	154.8 Å²	154.8	96%	0.955	82%	0.821	S	S	*	*			trans	-117.1	138.8	153.3	-83.7	67.3	0	0	0	109.2
9	S	32	Very low	34.3	Very low	116 Å²	116	150.8 Å²	150.8	81%	0.811	81%	0.807	S	S	*	*			trans	-87.4	143.5	-170.6	-172.4	0	0	0	0	112.1	A11	S9-A11 PolarHBondContact O-N 2.88Å
10	L	35.7	Very low	34.3	Very low	178 Å²	178	150.8 Å²	150.8	93%	0.932	81%	0.806	S	S	*	*			trans	-65.8	112.5	169.8	-77.5	129.5	0	0	0	111.1
11	A	33	Very low	34.4	Very low	80 Å²	80	151.9 Å²	151.9	66%	0.661	81%	0.811	S	S	*	*			trans	-155.1	153.1	152.4	0	0	0	0	0	108.9	S9	S9-A11 PolarHBondContact O-N 2.88Å
12	T	34.2	Very low	34.6	Very low	127 Å²	127	144.3 Å²	144.3	78%	0.779	79%	0.787	S	S	*	*			trans	62.7	46	167.8	67	0	0	0	0	118.7	S14	T12-S14 VanDerWaalsContact C-N 3.35Å
13	M	36.7	Very low	34.8	Very low	200 Å²	200	146.2 Å²	146.2	99%	0.985	79%	0.792	S	S	*	*	S	Bend	trans	-99.2	53.3	154.3	-162.1	176.8	164.1	0	0	111
14	S	40.7	Very low	35.2	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	79%	0.794	S	S	*	*			trans	-161.6	58.9	169.6	-156.7	0	0	0	0	110.9	T12	T12-S14 VanDerWaalsContact C-N 3.35Å
15	F	36	Very low	35.3	Very low	160 Å²	160	144.1 Å²	144.1	70%	0.702	79%	0.793	S	S	*	*			trans	-148.2	48.2	174.5	-105.7	-73.9	0	0	0	110.5
16	L	38.3	Very low	34.9	Very low	155 Å²	155	144.9 Å²	144.9	81%	0.812	80%	0.796	S	S	*	*	S	Bend	trans	-134.7	11.9	-175.3	-111.8	165.3	0	0	0	114.4
17	L	36.1	Very low	34.9	Very low	172 Å²	172	142.1 Å²	142.1	90%	0.901	79%	0.791	S	S	*	*	S	Bend	trans	-144.8	15.1	-179.2	-103.4	119.1	0	0	0	115.6
18	S	35	Very low	34.8	Very low	95 Å²	95	138 Å²	138	66%	0.664	78%	0.782	S	S	*	*	S	Bend	trans	-128.9	4	179.4	47.8	0	0	0	0	114.9
19	S	35.5	Very low	34.8	Very low	80 Å²	80	131 Å²	131	56%	0.559	77%	0.768	S	S	*	*	S	Bend	trans	-111.7	1	173.7	47.9	0	0	0	0	113.8
20	L	33.9	Very low	34.6	Very low	150 Å²	150	130.4 Å²	130.4	79%	0.785	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	9.6	-179	-129.9	89	0	0	0	114.7
21	L	36.3	Very low	34.2	Very low	173 Å²	173	132.4 Å²	132.4	91%	0.906	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.9	14.3	-179.6	-121.8	89.5	0	0	0	114.3
22	A	37.7	Very low	33.9	Very low	83 Å²	83	134 Å²	134	69%	0.686	77%	0.765	S	S	*	*	S	Bend	trans	-128.1	19	-175.4	0	0	0	0	0	114.4
23	L	34.2	Very low	33.6	Very low	162 Å²	162	135.5 Å²	135.5	85%	0.848	76%	0.763	S	S	*	*	S	Bend	trans	-138.9	24.8	176.9	-101.7	155.2	0	0	0	112.8
24	L	36.5	Very low	33.2	Very low	152 Å²	152	130.8 Å²	130.8	80%	0.796	75%	0.75	S	S	*	*			trans	-113.6	42	169.6	-88.7	168.1	0	0	0	111.7
25	T	32.7	Very low	32.7	Very low	125 Å²	125	130.9 Å²	130.9	77%	0.767	75%	0.746	S	S	*	*			trans	-102	92.5	152.3	51.4	0	0	0	0	107.1	S27	T25-S27 VanDerWaalsContact C-N 3.28Å; T25-S27 PolarHBondContact O-N 2.99Å
26	V	35.1	Very low	32.8	Very low	117 Å²	117	129.8 Å²	129.8	71%	0.709	74%	0.743	S	S	*	*			trans	-64.2	93.7	171.2	177.8	0	0	0	0	107.3	T28	V26-T28 HydrophobicContact CG1-CG2 4.18Å; V26-T28 PolarHBondContact O-N 3.25Å
27	S	30.8	Very low	32.8	Very low	109 Å²	109	125.9 Å²	125.9	76%	0.762	73%	0.733	S	S	*	*			trans	-67.6	87.8	158.1	54.2	0	0	0	0	106	T25	T25-S27 VanDerWaalsContact C-N 3.28Å; T25-S27 PolarHBondContact O-N 2.99Å
28	T	30.4	Very low	33.2	Very low	104 Å²	104	120.8 Å²	120.8	64%	0.638	71%	0.712	S	S	*	*			trans	-44.6	125.6	164.3	48	0	0	0	0	106.7	V26 S30	V26-T28 HydrophobicContact CG1-CG2 4.18Å; V26-T28 PolarHBondContact O-N 3.25Å; T28-S30 PolarHBondContact O-N 3.25Å
29	P	30.4	Very low	33.8	Very low	104 Å²	104	117.7 Å²	117.7	68%	0.675	69%	0.69	S	S	*	*			trans	-56.4	115.4	166.4	25.2	-31.1	0	0	0	104.6	W31	P29-W31 PolarHBondContact O-N 3.08Å
30	S	27.8	Very low	34.2	Very low	104 Å²	104	121.5 Å²	121.5	73%	0.727	70%	0.696	S	S	*	*			trans	-62.7	94.8	168.3	54.9	0	0	0	0	104.5	T28 C32	T28-S30 PolarHBondContact O-N 3.25Å; S30-C32 PolarHBondContact O-N 3.31Å
31	W	27.5	Very low	35.1	Very low	221 Å²	221	118.8 Å²	118.8	84%	0.837	68%	0.675	S	S	*	*			trans	-51.4	102.3	150.8	-81.9	50.8	0	0	0	103.4	P29 Q33	P29-W31 PolarHBondContact O-N 3.08Å; W31-Q33 PolarHBondContact O-N 2.86Å
32	C	25.7	Very low	35.7	Very low	113 Å²	113	116.7 Å²	116.7	76%	0.764	68%	0.675	S	S	*	*			trans	-54.8	93.9	145.5	-83.4	0	0	0	0	103.8	S30 S34	S30-C32 PolarHBondContact O-N 3.31Å; C32-S34 PolarHBondContact O-N 3.4Å
33	Q	28.8	Very low	36.4	Very low	158 Å²	158	116.8 Å²	116.8	74%	0.738	66%	0.664	S	S	*	*			trans	-48.5	97	136.5	-72.8	179.9	-23.7	0	0	104.1	W31 T35	W31-Q33 PolarHBondContact O-N 2.86Å; Q33-T35 HydrophobicContact CB-CG2 4.42Å; Q33-T35 PolarHBondContact O-N 2.74Å
34	S	29	Very low	37.6	Very low	102 Å²	102	111.4 Å²	111.4	71%	0.713	65%	0.648	S	S	*	*			trans	-56.5	82.8	137.4	51.8	0	0	0	0	104.9	C32 E36	C32-S34 PolarHBondContact O-N 3.4Å; S34-E36 PolarHBondContact O-N 3.45Å
35	T	29.9	Very low	39.4	Very low	110 Å²	110	107.1 Å²	107.1	68%	0.675	63%	0.628	S	S	*	*			trans	-49.9	102.8	144.4	49	0	0	0	0	103.2	Q33 A37	Q33-T35 HydrophobicContact CB-CG2 4.42Å; Q33-T35 PolarHBondContact O-N 2.74Å; T35-A37 VanDerWaalsContact C-N 3.35Å; T35-A37 PolarHBondContact O-N 2.58Å
36	E	37	Very low	42.1	Very low	136 Å²	136	104.6 Å²	104.6	64%	0.636	61%	0.614	S	S	*	*			trans	-49.4	111.5	167.5	-73.1	-174	148.7	0	0	105	S34 S38 N50	S34-E36 PolarHBondContact O-N 3.45Å; E36-S38 PolarHBondContact O-N 2.78Å; E36-N50 PolarHBondContact OE2-ND2 3.08Å
37	A	39.4	Very low	44.8	Very low	73 Å²	73	99.5 Å²	99.5	60%	0.603	58%	0.582	S	S	*	*			trans	-62.4	113.2	-174.8	0	0	0	0	0	105.7	T35 P39	T35-A37 VanDerWaalsContact C-N 3.35Å; T35-A37 PolarHBondContact O-N 2.58Å; A37-P39 VanDerWaalsContact O-N 3.1Å
38	S	43.3	Very low	47.9	Very low	66 Å²	66	97.3 Å²	97.3	46%	0.462	57%	0.565	S	S	.	*			trans	-44.1	122.3	-175.8	-50.2	0	0	0	0	108.3	E36 K40	E36-S38 PolarHBondContact O-N 2.78Å; S38-K40 WeakPolarHBondContact O-CG 3.27Å; S38-K40 PolarHBondContact O-N 2.84Å
39	P	48.5	Very low	51.1	Low	30 Å²	30	94.7 Å²	94.7	20%	0.195	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-54.5	116.6	-161.4	12.9	-26.4	0	0	0	110.3	A37 F47 H125	A37-P39 VanDerWaalsContact O-N 3.1Å; P39-F47 HydrophobicContact CG-CB 4.46Å; P39-F47 PolarHBondContact O-N 2.96Å; P39-F47 VanDerWaalsContact O-N 3.12Å; P39-H125 WeakPolarHBondContact CB-NE2 3.27Å
40	K	42.5	Very low	54.2	Low	160 Å²	160	93.4 Å²	93.4	70%	0.696	53%	0.531	S	S	*	.	B	Isolated β-bridge	trans	-86.8	130	-172.8	-64.6	-171.9	178.9	-179.6	0	109.4	S38	S38-K40 WeakPolarHBondContact O-CG 3.27Å; S38-K40 PolarHBondContact O-N 2.84Å
41	R	53.5	Low	57.5	Low	92 Å²	92	94.1 Å²	94.1	35%	0.347	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-66.5	170.7	173.5	-141.9	-164.3	-161.2	179.5	0.7	111.4	D43 G44 T45	R41-D43 WeakPolarHBondContact CB-OD1 3.19Å; R41-D43 WeakPolarHBondContact CD-OD1 3.43Å; R41-D43 WeakPolarHBondContact CD-OD2 3.07Å; R41-D43 IonicContact CZ-OD2 3.88Å; R41-D43 IonicContact NE-OD2 3.67Å; R41-D43 IonicContact NH1-OD2 3.86Å; R41-D43 PolarHBondContact NH1-OD2 2.7Å; R41-D43 PolarHBondContact O-N 2.77Å; R41-G44 PolarHBondContact O-N 2.95Å; R41-G44 VanDerWaalsContact O-N 3.12Å; R41-T45 PolarHBondContact N-O 2.8Å
42	S	48.9	Very low	60.7	Low	130 Å²	130	85.9 Å²	85.9	91%	0.909	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.2	164.6	46.3	0	0	0	0	114.1
43	D	51.7	Low	64.2	Low	85 Å²	85	83.4 Å²	83.4	46%	0.455	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-2	174.3	70.8	20.3	0	0	0	114.6	R41 T45	R41-D43 WeakPolarHBondContact CB-OD1 3.19Å; R41-D43 WeakPolarHBondContact CD-OD1 3.43Å; R41-D43 WeakPolarHBondContact CD-OD2 3.07Å; R41-D43 IonicContact CZ-OD2 3.88Å; R41-D43 IonicContact NE-OD2 3.67Å; R41-D43 IonicContact NH1-OD2 3.86Å; R41-D43 PolarHBondContact NH1-OD2 2.7Å; R41-D43 PolarHBondContact O-N 2.77Å; D43-T45 VanDerWaalsContact OD1-CB 3.28Å; D43-T45 WeakPolarHBondContact OD1-CB 3.46Å; D43-T45 PolarHBondContact OD1-N 3.36Å; D43-T45 PolarHBondContact OD1-OG1 2.92Å
44	G	60.6	Low	67.5	Low	48 Å²	48	76.1 Å²	76.1	50%	0.495	43%	0.434	S	S	.	.	S	Bend	trans	85.7	-6.5	179.4	0	0	0	0	0	116.5	R41	R41-G44 PolarHBondContact O-N 2.95Å; R41-G44 VanDerWaalsContact O-N 3.12Å
45	T	74.7	Confident	70.8	Confident	62 Å²	62	71.4 Å²	71.4	38%	0.38	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-71.5	129.5	175.3	-36.5	0	0	0	0	109.7	R41 D43	R41-T45 PolarHBondContact N-O 2.8Å; D43-T45 VanDerWaalsContact OD1-CB 3.28Å; D43-T45 WeakPolarHBondContact OD1-CB 3.46Å; D43-T45 PolarHBondContact OD1-N 3.36Å; D43-T45 PolarHBondContact OD1-OG1 2.92Å
46	P	88	Confident	74	Confident	73 Å²	73	73.1 Å²	73.1	47%	0.474	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-74.3	133	177	29.5	-33	0	0	0	110.5
47	F	93.6	Very high	76.9	Confident	10 Å²	10	69 Å²	69	4%	0.044	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-75.3	134	171.5	-168.9	-107.5	0	0	0	109.8	P39 W49 I94 L123 H125 Q130 A132	P39-F47 HydrophobicContact CG-CB 4.46Å; P39-F47 PolarHBondContact O-N 2.96Å; P39-F47 VanDerWaalsContact O-N 3.12Å; F47-W49 HydrophobicContact CD1-CB 4.41Å; F47-W49 VanDerWaalsContact CD1-O 3.26Å; F47-W49 WeakPolarHBondContact CD1-O 3.28Å; F47-W49 HydrophobicContact CE1-CB 4.15Å; F47-W49 PolarHBondContact O-N 2.69Å; F47-W49 VanDerWaalsContact O-N 3.09Å; F47-I94 HydrophobicContact CZ-CD1 4.48Å; F47-L123 HydrophobicContact CD2-CB 4.09Å; F47-L123 HydrophobicContact CE2-CB 4.23Å; F47-H125 HydrophobicContact CB-CB 4.39Å; F47-H125 HydrophobicContact CD1-CB 3.66Å; F47-H125 HydrophobicContact CD2-CB 3.71Å; F47-H125 HydrophobicContact CE1-CB 3.73Å; F47-H125 HydrophobicContact CE2-CB 3.76Å; F47-H125 HydrophobicContact CG-CB 3.66Å; F47-H125 HydrophobicContact CZ-CB 3.79Å; F47-Q130 HydrophobicContact CE1-CB 4.16Å; F47-Q130 HydrophobicContact CZ-CB 3.96Å; F47-A132 HydrophobicContact CD2-CB 4.24Å; F47-A132 HydrophobicContact CE2-CB 3.53Å; F47-A132 HydrophobicContact CZ-CB 3.83Å
48	P	95.2	Very high	79.7	Confident	63 Å²	63	65.7 Å²	65.7	41%	0.409	35%	0.352	S	S	.	.	S	Bend	trans	-77.5	8.4	-167.4	30.5	-36.9	0	0	0	115.4	T92 I94 A132 L134	P48-T92 HydrophobicContact CB-CG2 4.21Å; P48-T92 HydrophobicContact CG-CG2 3.74Å; P48-I94 HydrophobicContact CG-CD1 4.06Å; P48-A132 HydrophobicContact CG-CB 3.57Å; P48-L134 HydrophobicContact CG-CD2 4.3Å
49	W	96.9	Very high	82.4	Confident	48 Å²	48	65.7 Å²	65.7	18%	0.182	35%	0.346	C	S	.	.			trans	-146.8	124.7	-178	-172.1	-107.7	0	0	0	112.1	F47 K51 R53 P55 I94 Q128	F47-W49 HydrophobicContact CD1-CB 4.41Å; F47-W49 VanDerWaalsContact CD1-O 3.26Å; F47-W49 WeakPolarHBondContact CD1-O 3.28Å; F47-W49 HydrophobicContact CE1-CB 4.15Å; F47-W49 PolarHBondContact O-N 2.69Å; F47-W49 VanDerWaalsContact O-N 3.09Å; W49-K51 VanDerWaalsContact CD1-O 3.24Å; W49-K51 HydrophobicContact CZ2-CB 4.19Å; W49-K51 HydrophobicContact CZ2-CD 4.12Å; W49-K51 HydrophobicContact CZ2-CG 4.48Å; W49-K51 PolarHBondContact NE1-O 3.31Å; W49-R53 PolarHBondContact NE1-O 3.32Å; W49-P55 HydrophobicContact CD2-CG 3.86Å; W49-P55 HydrophobicContact CE3-CB 4.49Å; W49-P55 HydrophobicContact CE3-CG 3.97Å; W49-P55 HydrophobicContact CH2-CB 3.73Å; W49-P55 HydrophobicContact CH2-CG 3.93Å; W49-P55 HydrophobicContact CZ2-CB 3.95Å; W49-P55 HydrophobicContact CZ2-CG 3.82Å; W49-P55 HydrophobicContact CZ3-CB 4.03Å; W49-P55 HydrophobicContact CZ3-CG 4.01Å; W49-I94 HydrophobicContact CB-CD1 3.78Å; W49-I94 HydrophobicContact CB-CG1 3.86Å; W49-I94 HydrophobicContact CB-CG2 4.39Å; W49-I94 HydrophobicContact CG-CG1 4.07Å; W49-I94 HydrophobicContact CG-CG2 4.31Å; W49-Q128 PolarHBondContact O-NE2 3.11Å
50	N	95.8	Very high	84.7	Confident	78 Å²	78	64.4 Å²	64.4	42%	0.417	34%	0.338	S	S	.	.			trans	-104.5	11.1	-172.1	67.8	-40.8	0	0	0	114.9	E36	E36-N50 PolarHBondContact OE2-ND2 3.08Å
51	K	96.8	Very high	87.4	Confident	118 Å²	118	59.7 Å²	59.7	51%	0.513	32%	0.322	S	S	.	.			trans	-114.1	149.4	-178.6	-61.9	-175.8	172.6	-174.7	0	112.2	W49 Q128 Q130	W49-K51 VanDerWaalsContact CD1-O 3.24Å; W49-K51 HydrophobicContact CZ2-CB 4.19Å; W49-K51 HydrophobicContact CZ2-CD 4.12Å; W49-K51 HydrophobicContact CZ2-CG 4.48Å; W49-K51 PolarHBondContact NE1-O 3.31Å; K51-Q128 PolarHBondContact O-NE2 3.15Å; K51-Q130 PolarHBondContact O-NE2 3.25Å; K51-Q130 PolarHBondContact O-OE1 3.1Å
52	I	95.9	Very high	89.6	Confident	48 Å²	48	57 Å²	57	25%	0.246	31%	0.314	C	S	.	.	S	Bend	trans	-69	-42.6	171.3	-62.6	177.4	0	0	0	110.1	Q128 Q130 E424 N425	I52-Q128 HydrophobicContact CG1-CG 4.41Å; I52-Q130 PolarHBondContact O-NE2 2.77Å; I52-E424 HydrophobicContact CB-CG 3.93Å; I52-E424 HydrophobicContact CD1-CG 4.04Å; I52-E424 HydrophobicContact CG1-CG 4.46Å; I52-E424 HydrophobicContact CG2-CG 4.23Å; I52-N425 HydrophobicContact CD1-CB 4.03Å
53	R	98.3	Very high	91.9	Very high	61 Å²	61	50.9 Å²	50.9	23%	0.23	27%	0.271	C	S	.	.	S	Bend	trans	-65	137.8	171.1	-63.1	-60	-56	-81.3	-4.3	111.3	W49 E196 W368	W49-R53 PolarHBondContact NE1-O 3.32Å; R53-E196 VanDerWaalsContact CA-OE1 3.31Å; R53-E196 WeakPolarHBondContact CA-OE1 3.39Å; R53-E196 IonicContact CZ-OE2 2.67Å; R53-E196 VanDerWaalsContact NE-CD 3.29Å; R53-E196 IonicContact NE-OE1 3.06Å; R53-E196 PolarHBondContact NE-OE1 2.83Å; R53-E196 IonicContact NE-OE2 2.72Å; R53-E196 PolarHBondContact NE-OE2 2.87Å; R53-E196 IonicContact NH2-OE2 3.63Å; R53-E196 PolarHBondContact NH2-OE2 2.84Å; R53-W368 VanDerWaalsContact CD-CH2 3.5Å
54	L	98.5	Very high	94.2	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-69.2	162.2	178	-66.8	-179.3	0	0	0	112.6	E56 I94 H96 Q130 F194 E196 F199	L54-E56 PolarHBondContact O-N 3.26Å; L54-I94 HydrophobicContact CD2-CB 4.48Å; L54-I94 HydrophobicContact CD2-CG2 3.84Å; L54-H96 VanDerWaalsContact CG-CE1 3.48Å; L54-H96 WeakPolarHBondContact CG-CE1 3.48Å; L54-Q130 HydrophobicContact CD2-CG 4.09Å; L54-F194 HydrophobicContact CD1-CB 4.02Å; L54-F194 HydrophobicContact CD1-CD1 3.95Å; L54-F194 HydrophobicContact CD1-CG 4.39Å; L54-E196 HydrophobicContact CD1-CG 4.35Å; L54-E196 HydrophobicContact CG-CG 4.48Å; L54-E196 PolarHBondContact N-OE1 2.89Å; L54-F199 HydrophobicContact CB-CE2 4.04Å; L54-F199 HydrophobicContact CB-CZ 4.31Å; L54-F199 HydrophobicContact CD1-CD2 4.43Å; L54-F199 HydrophobicContact CD1-CE2 4.07Å
55	P	98.3	Very high	96	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.026	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-72	123.2	170.4	-4.3	18.6	0	0	0	111.5	W49 Y57 I94	W49-P55 HydrophobicContact CD2-CG 3.86Å; W49-P55 HydrophobicContact CE3-CB 4.49Å; W49-P55 HydrophobicContact CE3-CG 3.97Å; W49-P55 HydrophobicContact CH2-CB 3.73Å; W49-P55 HydrophobicContact CH2-CG 3.93Å; W49-P55 HydrophobicContact CZ2-CB 3.95Å; W49-P55 HydrophobicContact CZ2-CG 3.82Å; W49-P55 HydrophobicContact CZ3-CB 4.03Å; W49-P55 HydrophobicContact CZ3-CG 4.01Å; P55-Y57 HydrophobicContact CB-CD1 3.88Å; P55-Y57 HydrophobicContact CB-CE1 3.37Å; P55-Y57 HydrophobicContact CB-CE2 4.14Å; P55-Y57 HydrophobicContact CB-CG 4.45Å; P55-Y57 VanDerWaalsContact CB-CZ 3.5Å; P55-Y57 HydrophobicContact CG-CE1 4.46Å; P55-Y57 PolarHBondContact O-N 2.96Å; P55-Y57 VanDerWaalsContact O-N 3.13Å; P55-I94 HydrophobicContact CG-CB 3.81Å; P55-I94 HydrophobicContact CG-CG1 3.7Å
56	E	97.8	Very high	97.2	Very high	146 Å²	146	45.2 Å²	45.2	68%	0.682	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-2.3	-178.5	-63	170.7	-168.4	0	0	114.6	L54 I59	L54-E56 PolarHBondContact O-N 3.26Å; E56-I59 VanDerWaalsContact O-CD1 3.22Å; E56-I59 WeakPolarHBondContact O-CD1 3.2Å
57	Y	97.4	Very high	97.7	Very high	50 Å²	50	41.7 Å²	41.7	20%	0.196	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	0.3	-176.5	59.3	-104	0	0	0	114.9	P55 A86 S87 Q88 T90	P55-Y57 HydrophobicContact CB-CD1 3.88Å; P55-Y57 HydrophobicContact CB-CE1 3.37Å; P55-Y57 HydrophobicContact CB-CE2 4.14Å; P55-Y57 HydrophobicContact CB-CG 4.45Å; P55-Y57 VanDerWaalsContact CB-CZ 3.5Å; P55-Y57 HydrophobicContact CG-CE1 4.46Å; P55-Y57 PolarHBondContact O-N 2.96Å; P55-Y57 VanDerWaalsContact O-N 3.13Å; Y57-A86 CarbonylContact O-C 3.54Å; Y57-A86 WeakPolarHBondContact O-CA 3.18Å; Y57-S87 VanDerWaalsContact CA-OG 3.27Å; Y57-S87 WeakPolarHBondContact CA-OG 3.22Å; Y57-S87 VanDerWaalsContact CB-OG 3.31Å; Y57-S87 WeakPolarHBondContact CB-OG 3.3Å; Y57-S87 PolarHBondContact O-N 3.02Å; Y57-S87 PolarHBondContact O-OG 2.75Å; Y57-Q88 HydrophobicContact CG-CB 4.33Å; Y57-T90 HydrophobicContact CD2-CG2 4.27Å; Y57-T90 HydrophobicContact CE2-CG2 3.94Å
58	V	98.3	Very high	97.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113.5	168.3	-174.7	0	0	0	0	108.3	I84 T85 T90 I93 F194	V58-I84 HydrophobicContact CG1-CB 4.03Å; V58-I84 HydrophobicContact CG1-CD1 3.75Å; V58-I84 HydrophobicContact CG1-CG1 4.43Å; V58-I84 HydrophobicContact CG1-CG2 4.3Å; V58-T85 WeakPolarHBondContact CA-O 3.48Å; V58-T90 HydrophobicContact CG2-CG2 4.02Å; V58-I93 HydrophobicContact CG1-CG2 4.31Å; V58-F194 HydrophobicContact CB-CE1 4.13Å; V58-F194 HydrophobicContact CB-CZ 4.32Å; V58-F194 HydrophobicContact CG1-CE1 4.05Å; V58-F194 HydrophobicContact CG1-CZ 3.72Å
59	I	98.4	Very high	98	Very high	66 Å²	66	40.7 Å²	40.7	34%	0.338	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.8	-172.1	-55.4	-57	0	0	0	109.8	E56 I84 T85 F199	E56-I59 VanDerWaalsContact O-CD1 3.22Å; E56-I59 WeakPolarHBondContact O-CD1 3.2Å; I59-I84 CarbonylContact O-C 3.51Å; I59-I84 VanDerWaalsContact O-CA 3.29Å; I59-I84 WeakPolarHBondContact O-CA 3.19Å; I59-T85 PolarHBondContact N-O 3.1Å; I59-T85 PolarHBondContact O-N 2.83Å; I59-F199 HydrophobicContact CD1-CD1 4.2Å; I59-F199 HydrophobicContact CD1-CE1 3.84Å
60	P	98.6	Very high	98.1	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	147.8	169.9	33.7	-36.4	0	0	0	111.5	Y63 V82 E83 F194 F199 A201	P60-Y63 HydrophobicContact CB-CE2 3.86Å; P60-Y63 HydrophobicContact CG-CE2 4.41Å; P60-V82 HydrophobicContact CB-CG2 3.75Å; P60-E83 CarbonylContact C-O 3.58Å; P60-E83 WeakPolarHBondContact CA-O 3.33Å; P60-F194 HydrophobicContact CB-CD2 3.83Å; P60-F194 HydrophobicContact CB-CE2 4.26Å; P60-F194 HydrophobicContact CB-CG 4.5Å; P60-F194 HydrophobicContact CG-CB 4.01Å; P60-F194 HydrophobicContact CG-CD2 3.84Å; P60-F194 HydrophobicContact CG-CG 4.01Å; P60-F199 HydrophobicContact CG-CB 3.89Å; P60-F199 HydrophobicContact CG-CD1 4.45Å; P60-A201 HydrophobicContact CB-CB 4.42Å
61	V	98.4	Very high	98.2	Very high	61 Å²	61	37.1 Å²	37.1	37%	0.37	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	-48.4	-179.5	-178	0	0	0	0	110.4	E83 T85 A201 S202	V61-E83 HydrophobicContact CB-CB 4.46Å; V61-E83 HydrophobicContact CB-CG 4.35Å; V61-E83 PolarHBondContact N-O 2.53Å; V61-T85 HydrophobicContact CG2-CG2 4.37Å; V61-A201 WeakPolarHBondContact O-CB 3.19Å; V61-S202 PolarHBondContact O-N 2.69Å; V61-S202 VanDerWaalsContact O-N 3.16Å
62	H	98.8	Very high	98.2	Very high	37 Å²	37	36.4 Å²	36.4	17%	0.171	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	146.5	-177	-173.1	60.1	0	0	0	111.8	V82 E83 S202 S204	H62-V82 CarbonylContact O-C 3.6Å; H62-V82 WeakPolarHBondContact O-CA 3.49Å; H62-E83 HydrophobicContact CB-CB 4.15Å; H62-E83 PolarHBondContact O-N 2.72Å; H62-S202 CarbonylContact C-O 3.5Å; H62-S202 WeakPolarHBondContact CA-O 3.47Å; H62-S202 PolarHBondContact ND1-O 3.39Å; H62-S202 VanDerWaalsContact ND1-O 3.1Å; H62-S202 PolarHBondContact ND1-OG 2.97Å; H62-S204 PolarHBondContact CE1-OG 2.89Å; H62-S204 PolarHBondContact NE2-OG 2.85Å
63	Y	98.9	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119	172.8	-72	-96.1	0	0	0	111.5	P60 L65 T80 K81 V82 C193 F194 A201 S202 F203 S204	P60-Y63 HydrophobicContact CB-CE2 3.86Å; P60-Y63 HydrophobicContact CG-CE2 4.41Å; Y63-L65 HydrophobicContact CD1-CD2 4.2Å; Y63-T80 HydrophobicContact CD1-CG2 3.97Å; Y63-T80 HydrophobicContact CE1-CG2 4.42Å; Y63-K81 CarbonylContact C-O 3.59Å; Y63-K81 WeakPolarHBondContact CA-O 3.29Å; Y63-V82 HydrophobicContact CD1-CB 3.7Å; Y63-V82 HydrophobicContact CD1-CG2 3.76Å; Y63-V82 HydrophobicContact CD2-CG2 4.23Å; Y63-V82 HydrophobicContact CE1-CB 3.67Å; Y63-V82 HydrophobicContact CE1-CG1 4.47Å; Y63-V82 HydrophobicContact CE1-CG2 3.47Å; Y63-V82 VanDerWaalsContact CE1-CG2 3.47Å; Y63-V82 HydrophobicContact CE2-CG2 3.99Å; Y63-V82 HydrophobicContact CG-CB 4.37Å; Y63-V82 HydrophobicContact CG-CG2 4.14Å; Y63-C193 HydrophobicContact CE1-CB 3.81Å; Y63-F194 WeakPolarHBondContact OH-CD2 3.18Å; Y63-F194 PolarHBondContact OH-N 3.18Å; Y63-A201 HydrophobicContact CD2-CB 3.64Å; Y63-A201 HydrophobicContact CE2-CB 3.61Å; Y63-S202 PolarHBondContact N-O 3.22Å; Y63-F203 HydrophobicContact CD1-CE1 4.37Å; Y63-F203 AromaticContact CD2-CD1 3.8Å; Y63-F203 HydrophobicContact CD2-CD1 3.8Å; Y63-F203 AromaticContact CD2-CE1 3.31Å; Y63-F203 HydrophobicContact CD2-CE1 3.31Å; Y63-F203 AromaticContact CD2-CZ 3.75Å; Y63-F203 HydrophobicContact CD2-CZ 3.75Å; Y63-F203 AromaticContact CE2-CE1 3.79Å; Y63-F203 HydrophobicContact CE2-CE1 3.79Å; Y63-F203 AromaticContact CE2-CZ 3.96Å; Y63-F203 HydrophobicContact CE2-CZ 3.96Å; Y63-F203 AromaticContact CG-CD1 3.83Å; Y63-F203 HydrophobicContact CG-CD1 3.83Å; Y63-F203 AromaticContact CG-CE1 3.64Å; Y63-F203 HydrophobicContact CG-CE1 3.64Å; Y63-F203 CarbonylContact O-C 3.11Å; Y63-F203 WeakPolarHBondContact O-CA 3.35Å; Y63-S204 PolarHBondContact O-N 2.94Å
64	D	98.9	Very high	98.3	Very high	39 Å²	39	37.1 Å²	37.1	21%	0.209	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	112.5	156.4	-98.2	-61.1	0	0	0	108	T80 K81 K206	D64-T80 CarbonylContact O-C 3.59Å; D64-T80 WeakPolarHBondContact O-CA 3.24Å; D64-K81 HydrophobicContact CB-CB 3.94Å; D64-K81 HydrophobicContact CB-CD 4.14Å; D64-K81 HydrophobicContact CB-CG 3.97Å; D64-K81 PolarHBondContact N-O 3.12Å; D64-K81 PolarHBondContact O-N 3.26Å; D64-K81 IonicContact OD2-NZ 3.15Å; D64-K206 IonicContact OD1-NZ 2.67Å; D64-K206 PolarHBondContact OD1-NZ 2.95Å
65	L	98.9	Very high	98.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.5	173.9	-58.1	-175.2	0	0	0	109.8	Y63 T80 F191 F203 S204 I205 K206 V247	Y63-L65 HydrophobicContact CD1-CD2 4.2Å; L65-T80 HydrophobicContact CD2-CG2 3.89Å; L65-F191 HydrophobicContact CD1-CD1 4.02Å; L65-F191 HydrophobicContact CD1-CD2 4.03Å; L65-F191 HydrophobicContact CD1-CE1 3.98Å; L65-F191 HydrophobicContact CD1-CE2 3.97Å; L65-F191 HydrophobicContact CD1-CG 4.07Å; L65-F191 HydrophobicContact CD1-CZ 3.96Å; L65-F191 HydrophobicContact CD2-CB 4.19Å; L65-F191 HydrophobicContact CD2-CD2 3.74Å; L65-F191 HydrophobicContact CD2-CE2 4.31Å; L65-F191 HydrophobicContact CD2-CG 3.99Å; L65-F203 HydrophobicContact CD1-CD1 3.96Å; L65-F203 HydrophobicContact CG-CD1 4.48Å; L65-S204 PolarHBondContact N-O 3.27Å; L65-I205 HydrophobicContact CB-CG1 4.45Å; L65-I205 HydrophobicContact CD1-CG1 4.43Å; L65-I205 CarbonylContact O-C 3.59Å; L65-K206 PolarHBondContact O-N 3Å; L65-V247 HydrophobicContact CD1-CG1 4.19Å
66	L	98.9	Very high	98.3	Very high	37 Å²	37	38.3 Å²	38.3	19%	0.194	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.1	166.1	174.5	64.6	0	0	0	109	G78 T79 K206 R208 E233	L66-G78 CarbonylContact O-C 3.57Å; L66-G78 VanDerWaalsContact O-CA 3.26Å; L66-G78 WeakPolarHBondContact O-CA 3.25Å; L66-T79 PolarHBondContact N-O 2.9Å; L66-T79 PolarHBondContact O-N 2.77Å; L66-K206 WeakPolarHBondContact CA-O 3.14Å; L66-K206 HydrophobicContact CD1-CB 3.78Å; L66-R208 HydrophobicContact CD1-CG 4.15Å; L66-E233 HydrophobicContact CD1-CG 4.27Å
67	I	98.8	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.7	175.5	-54.8	-63.6	0	0	0	109.5	F76 Y151 F162 K206 I207 R208 F249	I67-F76 HydrophobicContact CG2-CD2 4.47Å; I67-Y151 VanDerWaalsContact CD1-OH 3.3Å; I67-Y151 WeakPolarHBondContact CD1-OH 3.22Å; I67-F162 HydrophobicContact CG2-CD1 4.49Å; I67-F162 HydrophobicContact CG2-CE1 3.81Å; I67-F162 HydrophobicContact CG2-CZ 4.37Å; I67-K206 PolarHBondContact N-O 3.05Å; I67-I207 HydrophobicContact CB-CD1 3.86Å; I67-I207 HydrophobicContact CG1-CD1 4.31Å; I67-I207 CarbonylContact O-C 3.53Å; I67-I207 WeakPolarHBondContact O-CA 3.31Å; I67-R208 PolarHBondContact O-N 2.83Å; I67-F249 HydrophobicContact CD1-CZ 4.36Å; I67-F249 HydrophobicContact CG1-CE1 4.33Å; I67-F249 HydrophobicContact CG1-CE2 4.18Å; I67-F249 HydrophobicContact CG1-CZ 3.89Å; I67-F249 HydrophobicContact CG2-CE2 4.19Å
68	H	98.6	Very high	98.4	Very high	45 Å²	45	34.9 Å²	34.9	21%	0.208	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	103.6	172.9	176.9	-152.3	0	0	0	108.8	F76 W77 R208	H68-F76 CarbonylContact O-C 3.49Å; H68-F76 WeakPolarHBondContact O-CA 3.48Å; H68-F76 WeakPolarHBondContact O-CB 3.5Å; H68-W77 AromaticContact CE1-CZ3 3.99Å; H68-W77 PolarHBondContact N-O 2.91Å; H68-W77 AromaticContact ND1-CE3 3.56Å; H68-W77 AromaticContact ND1-CZ3 4Å; H68-W77 PolarHBondContact O-N 3.03Å; H68-R208 HydrophobicContact CB-CB 3.82Å; H68-R208 HydrophobicContact CB-CG 4.49Å
69	A	97.9	Very high	98.4	Very high	6 Å²	6	36.2 Å²	36.2	5%	0.05	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.1	178.4	0	0	0	0	0	110.9	L71 F76 F162 I251	A69-L71 HydrophobicContact CB-CD1 4.02Å; A69-F76 HydrophobicContact CB-CB 4.1Å; A69-F162 HydrophobicContact CB-CE1 3.74Å; A69-F162 HydrophobicContact CB-CZ 3.75Å; A69-I251 HydrophobicContact CB-CD1 3.65Å
70	N	97.8	Very high	98.4	Very high	43 Å²	43	33.1 Å²	33.1	23%	0.23	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	106.7	170.4	-175.4	-42.4	0	0	0	108.7	T72 T73 L74 T75 W77	N70-T72 PolarHBondContact O-N 3Å; N70-T72 WeakPolarHBondContact OD1-CA 3.1Å; N70-T72 VanDerWaalsContact OD1-CB 3.25Å; N70-T72 WeakPolarHBondContact OD1-CB 3.42Å; N70-T72 PolarHBondContact OD1-N 3.05Å; N70-T73 WeakPolarHBondContact CB-OG1 3.23Å; N70-T73 VanDerWaalsContact CG-OG1 3.27Å; N70-T73 PolarHBondContact O-N 3.36Å; N70-T73 PolarHBondContact OD1-N 2.93Å; N70-T73 PolarHBondContact OD1-OG1 2.97Å; N70-L74 WeakPolarHBondContact O-CA 3.47Å; N70-L74 PolarHBondContact O-N 2.74Å; N70-T75 PolarHBondContact N-O 2.61Å; N70-T75 PolarHBondContact O-N 3.5Å; N70-W77 HydrophobicContact CB-CZ3 4.39Å
71	L	97.8	Very high	98.4	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.042	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-6.6	-177.3	-80.3	61.9	0	0	0	112.8	A69 L74 I176 A178 I251	A69-L71 HydrophobicContact CB-CD1 4.02Å; L71-L74 WeakPolarHBondContact O-CD2 3.27Å; L71-I176 HydrophobicContact CB-CG2 4.49Å; L71-A178 HydrophobicContact CD1-CB 4.2Å; L71-A178 HydrophobicContact CG-CB 4.44Å; L71-I251 HydrophobicContact CD1-CB 4.34Å; L71-I251 HydrophobicContact CD1-CG2 3.97Å; L71-I251 HydrophobicContact CD2-CG2 4.06Å
72	T	96.5	Very high	98.5	Very high	104 Å²	104	33.5 Å²	33.5	64%	0.638	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-43	174.4	-50.8	0	0	0	0	111.5	N70	N70-T72 PolarHBondContact O-N 3Å; N70-T72 WeakPolarHBondContact OD1-CA 3.1Å; N70-T72 VanDerWaalsContact OD1-CB 3.25Å; N70-T72 WeakPolarHBondContact OD1-CB 3.42Å; N70-T72 PolarHBondContact OD1-N 3.05Å
73	T	97.8	Very high	98.4	Very high	82 Å²	82	35 Å²	35	50%	0.503	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-10.5	177.5	56.3	0	0	0	0	113.6	N70 T75	N70-T73 WeakPolarHBondContact CB-OG1 3.23Å; N70-T73 VanDerWaalsContact CG-OG1 3.27Å; N70-T73 PolarHBondContact O-N 3.36Å; N70-T73 PolarHBondContact OD1-N 2.93Å; N70-T73 PolarHBondContact OD1-OG1 2.97Å; T73-T75 PolarHBondContact O-N 3.03Å; T73-T75 PolarHBondContact OG1-OG1 2.83Å
74	L	98.1	Very high	98.4	Very high	41 Å²	41	35 Å²	35	22%	0.215	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	32.2	-175.4	-52.4	177.3	0	0	0	113.3	N70 L71 N154 L155 K164 I176	N70-L74 WeakPolarHBondContact O-CA 3.47Å; N70-L74 PolarHBondContact O-N 2.74Å; L71-L74 WeakPolarHBondContact O-CD2 3.27Å; L74-N154 WeakPolarHBondContact O-CA 3.5Å; L74-L155 HydrophobicContact CD2-CD1 4.16Å; L74-L155 PolarHBondContact O-N 2.88Å; L74-K164 HydrophobicContact CD1-CD 3.76Å; L74-K164 HydrophobicContact CD2-CD 3.62Å; L74-K164 HydrophobicContact CD2-CG 4.07Å; L74-K164 HydrophobicContact CG-CD 4.33Å; L74-I176 HydrophobicContact CD2-CG2 4.28Å
75	T	98.4	Very high	98.3	Very high	33 Å²	33	35.1 Å²	35.1	20%	0.202	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151.8	178.6	58.6	0	0	0	0	110.7	N70 T73	N70-T75 PolarHBondContact N-O 2.61Å; N70-T75 PolarHBondContact O-N 3.5Å; T73-T75 PolarHBondContact O-N 3.03Å; T73-T75 PolarHBondContact OG1-OG1 2.83Å
76	F	98.8	Very high	98.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152	170.7	70.5	-83.8	0	0	0	112.6	I67 H68 A69 L100 Y151 A152 G153 N154 L155 F162	I67-F76 HydrophobicContact CG2-CD2 4.47Å; H68-F76 CarbonylContact O-C 3.49Å; H68-F76 WeakPolarHBondContact O-CA 3.48Å; H68-F76 WeakPolarHBondContact O-CB 3.5Å; A69-F76 HydrophobicContact CB-CB 4.1Å; F76-L100 HydrophobicContact CE2-CD2 4.07Å; F76-L100 HydrophobicContact CZ-CD2 3.7Å; F76-Y151 HydrophobicContact CE2-CE2 4.06Å; F76-A152 CarbonylContact O-C 3.39Å; F76-A152 WeakPolarHBondContact O-CA 3.5Å; F76-G153 WeakPolarHBondContact CD1-O 3.37Å; F76-G153 PolarHBondContact N-O 2.91Å; F76-G153 PolarHBondContact O-N 2.67Å; F76-N154 WeakPolarHBondContact CE1-O 3.21Å; F76-L155 HydrophobicContact CD1-CD2 4.06Å; F76-F162 HydrophobicContact CB-CD1 4.33Å; F76-F162 HydrophobicContact CB-CE1 3.99Å; F76-F162 AromaticContact CD1-CD1 3.79Å; F76-F162 HydrophobicContact CD1-CD1 3.79Å; F76-F162 HydrophobicContact CD1-CE1 4.27Å; F76-F162 HydrophobicContact CD2-CD1 4.03Å; F76-F162 HydrophobicContact CD2-CE1 4.36Å; F76-F162 AromaticContact CE1-CD1 4Å; F76-F162 HydrophobicContact CE1-CD1 4Å; F76-F162 HydrophobicContact CE2-CD1 4.22Å; F76-F162 AromaticContact CG-CD1 3.8Å; F76-F162 HydrophobicContact CG-CD1 3.8Å; F76-F162 AromaticContact CG-CE1 3.98Å; F76-F162 HydrophobicContact CG-CE1 3.98Å; F76-F162 HydrophobicContact CZ-CD1 4.21Å
77	W	98.8	Very high	98.1	Very high	119 Å²	119	37 Å²	37	45%	0.451	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.4	170.1	-60	-84.4	0	0	0	109.5	H68 N70	H68-W77 AromaticContact CE1-CZ3 3.99Å; H68-W77 PolarHBondContact N-O 2.91Å; H68-W77 AromaticContact ND1-CE3 3.56Å; H68-W77 AromaticContact ND1-CZ3 4Å; H68-W77 PolarHBondContact O-N 3.03Å; N70-W77 HydrophobicContact CB-CZ3 4.39Å
78	G	98.6	Very high	98	Very high	4 Å²	4	42.3 Å²	42.3	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	152.2	177.6	0	0	0	0	0	112.9	L66 Y151	L66-G78 CarbonylContact O-C 3.57Å; L66-G78 VanDerWaalsContact O-CA 3.26Å; L66-G78 WeakPolarHBondContact O-CA 3.25Å; G78-Y151 VanDerWaalsContact CA-CZ 3.48Å; G78-Y151 PolarHBondContact N-O 2.91Å; G78-Y151 PolarHBondContact O-N 2.99Å; G78-Y151 VanDerWaalsContact O-N 3.09Å
79	T	98.9	Very high	97.9	Very high	31 Å²	31	45 Å²	45	19%	0.19	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	109.2	163.1	-62.5	0	0	0	0	107.9	L66 V148 I149 H150	L66-T79 PolarHBondContact N-O 2.9Å; L66-T79 PolarHBondContact O-N 2.77Å; T79-V148 HydrophobicContact CG2-CG1 4.24Å; T79-I149 WeakPolarHBondContact CA-O 3.09Å; T79-H150 VanDerWaalsContact CG2-CE1 3.5Å; T79-H150 WeakPolarHBondContact CG2-CE1 3.48Å; T79-H150 WeakPolarHBondContact CG2-ND1 3.31Å; T79-H150 PolarHBondContact OG1-ND1 2.69Å
80	T	98.9	Very high	97.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	132	172.8	-65.1	0	0	0	0	108.3	Y63 D64 L65 V148 I149 Y151	Y63-T80 HydrophobicContact CD1-CG2 3.97Å; Y63-T80 HydrophobicContact CE1-CG2 4.42Å; D64-T80 CarbonylContact O-C 3.59Å; D64-T80 WeakPolarHBondContact O-CA 3.24Å; L65-T80 HydrophobicContact CD2-CG2 3.89Å; T80-V148 CarbonylContact O-C 3.56Å; T80-V148 WeakPolarHBondContact O-CA 3.23Å; T80-I149 PolarHBondContact N-O 2.89Å; T80-I149 PolarHBondContact O-N 3.24Å; T80-Y151 WeakPolarHBondContact OG1-CE1 3.46Å
81	K	98.8	Very high	97.8	Very high	72 Å²	72	45.4 Å²	45.4	31%	0.313	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.5	157.5	-34.6	178.5	-171.2	153.1	0	108	Y63 D64 T146 V147 V148	Y63-K81 CarbonylContact C-O 3.59Å; Y63-K81 WeakPolarHBondContact CA-O 3.29Å; D64-K81 HydrophobicContact CB-CB 3.94Å; D64-K81 HydrophobicContact CB-CD 4.14Å; D64-K81 HydrophobicContact CB-CG 3.97Å; D64-K81 PolarHBondContact N-O 3.12Å; D64-K81 PolarHBondContact O-N 3.26Å; D64-K81 IonicContact OD2-NZ 3.15Å; K81-T146 HydrophobicContact CB-CG2 3.73Å; K81-V147 CarbonylContact C-O 3.33Å; K81-V147 VanDerWaalsContact CA-O 3.23Å; K81-V147 WeakPolarHBondContact CA-O 3.21Å; K81-V148 HydrophobicContact CB-CG2 4.14Å; K81-V148 HydrophobicContact CD-CG2 4.27Å; K81-V148 HydrophobicContact CG-CG1 4.24Å; K81-V148 HydrophobicContact CG-CG2 3.99Å
82	V	98.7	Very high	97.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.7	175.6	59.4	0	0	0	0	109.6	P60 H62 Y63 I84 T146 V147 F194	P60-V82 HydrophobicContact CB-CG2 3.75Å; H62-V82 CarbonylContact O-C 3.6Å; H62-V82 WeakPolarHBondContact O-CA 3.49Å; Y63-V82 HydrophobicContact CD1-CB 3.7Å; Y63-V82 HydrophobicContact CD1-CG2 3.76Å; Y63-V82 HydrophobicContact CD2-CG2 4.23Å; Y63-V82 HydrophobicContact CE1-CB 3.67Å; Y63-V82 HydrophobicContact CE1-CG1 4.47Å; Y63-V82 HydrophobicContact CE1-CG2 3.47Å; Y63-V82 VanDerWaalsContact CE1-CG2 3.47Å; Y63-V82 HydrophobicContact CE2-CG2 3.99Å; Y63-V82 HydrophobicContact CG-CB 4.37Å; Y63-V82 HydrophobicContact CG-CG2 4.14Å; V82-I84 HydrophobicContact CG1-CG2 4.16Å; V82-I84 HydrophobicContact CG2-CG2 3.9Å; V82-T146 CarbonylContact O-C 3.23Å; V82-T146 WeakPolarHBondContact O-CA 3.3Å; V82-V147 HydrophobicContact CG1-CB 3.8Å; V82-V147 HydrophobicContact CG1-CG2 4.38Å; V82-V147 PolarHBondContact N-O 2.97Å; V82-V147 PolarHBondContact O-N 2.71Å; V82-F194 HydrophobicContact CG2-CE2 4.48Å
83	E	98.6	Very high	97.9	Very high	70 Å²	70	41.5 Å²	41.5	33%	0.327	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.7	166.9	-174.4	176.5	-172.1	0	0	108.5	P60 V61 H62 P144 Y145	P60-E83 CarbonylContact C-O 3.58Å; P60-E83 WeakPolarHBondContact CA-O 3.33Å; V61-E83 HydrophobicContact CB-CB 4.46Å; V61-E83 HydrophobicContact CB-CG 4.35Å; V61-E83 PolarHBondContact N-O 2.53Å; H62-E83 HydrophobicContact CB-CB 4.15Å; H62-E83 PolarHBondContact O-N 2.72Å; E83-P144 HydrophobicContact CG-CB 4.45Å; E83-P144 WeakPolarHBondContact OE1-CB 3.39Å; E83-Y145 CarbonylContact C-O 3.59Å; E83-Y145 WeakPolarHBondContact CA-O 3.28Å
84	I	98.4	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.9	-178.6	61.1	167.5	0	0	0	111	V58 I59 V82 I93 L139 P144 Y145 V147 F194	V58-I84 HydrophobicContact CG1-CB 4.03Å; V58-I84 HydrophobicContact CG1-CD1 3.75Å; V58-I84 HydrophobicContact CG1-CG1 4.43Å; V58-I84 HydrophobicContact CG1-CG2 4.3Å; I59-I84 CarbonylContact O-C 3.51Å; I59-I84 VanDerWaalsContact O-CA 3.29Å; I59-I84 WeakPolarHBondContact O-CA 3.19Å; V82-I84 HydrophobicContact CG1-CG2 4.16Å; V82-I84 HydrophobicContact CG2-CG2 3.9Å; I84-I93 HydrophobicContact CD1-CD1 3.61Å; I84-I93 HydrophobicContact CD1-CG1 4.09Å; I84-I93 HydrophobicContact CD1-CG2 4.49Å; I84-L139 HydrophobicContact CD1-CD2 3.92Å; I84-P144 WeakPolarHBondContact O-CA 3.34Å; I84-Y145 PolarHBondContact N-O 2.92Å; I84-Y145 PolarHBondContact O-N 3.04Å; I84-V147 HydrophobicContact CD1-CG2 3.58Å; I84-V147 HydrophobicContact CG1-CG2 4.13Å; I84-F194 HydrophobicContact CG2-CE2 3.79Å; I84-F194 HydrophobicContact CG2-CZ 4.12Å
85	T	97.4	Very high	98	Very high	41 Å²	41	35.8 Å²	35.8	25%	0.252	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.8	165.2	54.6	0	0	0	0	109.6	V58 I59 V61	V58-T85 WeakPolarHBondContact CA-O 3.48Å; I59-T85 PolarHBondContact N-O 3.1Å; I59-T85 PolarHBondContact O-N 2.83Å; V61-T85 HydrophobicContact CG2-CG2 4.37Å
86	A	97.1	Very high	98	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.017	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.4	174.6	0	0	0	0	0	110	Y57 L139 V141 G142	Y57-A86 CarbonylContact O-C 3.54Å; Y57-A86 WeakPolarHBondContact O-CA 3.18Å; A86-L139 HydrophobicContact CB-CB 4.22Å; A86-L139 HydrophobicContact CB-CD2 4.48Å; A86-V141 CarbonylContact O-C 3.54Å; A86-V141 WeakPolarHBondContact O-CA 3.44Å; A86-G142 PolarHBondContact O-N 3.16Å
87	S	96.2	Very high	98	Very high	73 Å²	73	34.9 Å²	34.9	51%	0.51	19%	0.189	S	C	.	.	S	Bend	trans	-90.2	-13.5	173.8	66.6	0	0	0	0	113	Y57	Y57-S87 VanDerWaalsContact CA-OG 3.27Å; Y57-S87 WeakPolarHBondContact CA-OG 3.22Å; Y57-S87 VanDerWaalsContact CB-OG 3.31Å; Y57-S87 WeakPolarHBondContact CB-OG 3.3Å; Y57-S87 PolarHBondContact O-N 3.02Å; Y57-S87 PolarHBondContact O-OG 2.75Å
88	Q	95.6	Very high	98	Very high	112 Å²	112	31.1 Å²	31.1	52%	0.523	18%	0.177	S	C	.	.	S	Bend	trans	-135.1	149.3	174.9	-59	-177.7	15.4	0	0	109.9	Y57 T90	Y57-Q88 HydrophobicContact CG-CB 4.33Å; Q88-T90 PolarHBondContact O-N 3.14Å
89	P	96.4	Very high	97.9	Very high	102 Å²	102	38.2 Å²	38.2	66%	0.662	21%	0.208	S	C	*	.			trans	-63.9	124.1	176.9	-16.6	29.7	0	0	0	110.7	V141	P89-V141 HydrophobicContact CG-CG2 3.8Å
90	T	97.3	Very high	97.9	Very high	16 Å²	16	37.4 Å²	37.4	10%	0.098	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	141.6	179.7	-178.8	0	0	0	0	111	Y57 V58 Q88 T92 L139	Y57-T90 HydrophobicContact CD2-CG2 4.27Å; Y57-T90 HydrophobicContact CE2-CG2 3.94Å; V58-T90 HydrophobicContact CG2-CG2 4.02Å; Q88-T90 PolarHBondContact O-N 3.14Å; T90-T92 PolarHBondContact OG1-N 3.11Å; T90-T92 PolarHBondContact OG1-O 3.13Å; T90-L139 WeakPolarHBondContact O-CB 3.43Å; T90-L139 WeakPolarHBondContact O-CD1 3.45Å; T90-L139 PolarHBondContact O-N 2.67Å
91	S	96.9	Very high	97.9	Very high	42 Å²	42	44.5 Å²	44.5	29%	0.294	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	3.1	167	-61.9	0	0	0	0	112.6	A135 P138	S91-A135 PolarHBondContact O-N 3.4Å; S91-P138 WeakPolarHBondContact OG-CA 3.49Å
92	T	97.9	Very high	97.9	Very high	29 Å²	29	42.2 Å²	42.2	18%	0.178	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.6	-172.2	-58.4	0	0	0	0	110.4	P48 T90 I94 A132 L133 L134	P48-T92 HydrophobicContact CB-CG2 4.21Å; P48-T92 HydrophobicContact CG-CG2 3.74Å; T90-T92 PolarHBondContact OG1-N 3.11Å; T90-T92 PolarHBondContact OG1-O 3.13Å; T92-I94 HydrophobicContact CG2-CD1 3.49Å; T92-I94 VanDerWaalsContact CG2-CD1 3.49Å; T92-I94 HydrophobicContact CG2-CG1 4.21Å; T92-A132 HydrophobicContact CG2-CB 4.21Å; T92-L133 WeakPolarHBondContact CA-O 3.2Å; T92-L134 HydrophobicContact CG2-CD2 3.98Å
93	I	98.6	Very high	97.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.4	172.7	-57.4	158.7	0	0	0	107.4	V58 I84 L95 L107 A132 L133 L139 V147 F194	V58-I93 HydrophobicContact CG1-CG2 4.31Å; I84-I93 HydrophobicContact CD1-CD1 3.61Å; I84-I93 HydrophobicContact CD1-CG1 4.09Å; I84-I93 HydrophobicContact CD1-CG2 4.49Å; I93-L95 HydrophobicContact CG2-CD2 4.34Å; I93-L107 HydrophobicContact CD1-CD1 4.12Å; I93-A132 CarbonylContact O-C 3.53Å; I93-A132 WeakPolarHBondContact O-CA 3.37Å; I93-L133 HydrophobicContact CB-CB 4.28Å; I93-L133 PolarHBondContact N-O 3.12Å; I93-L133 PolarHBondContact O-N 2.69Å; I93-L139 HydrophobicContact CD1-CD1 4.49Å; I93-L139 HydrophobicContact CD1-CD2 4.1Å; I93-L139 HydrophobicContact CG1-CD2 4.28Å; I93-V147 HydrophobicContact CD1-CG2 3.7Å; I93-F194 HydrophobicContact CG2-CZ 3.87Å
94	I	98.8	Very high	97.8	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.9	175.6	-47.4	-63.7	0	0	0	108.4	F47 P48 W49 L54 P55 T92 Q130 I131 A132 F194	F47-I94 HydrophobicContact CZ-CD1 4.48Å; P48-I94 HydrophobicContact CG-CD1 4.06Å; W49-I94 HydrophobicContact CB-CD1 3.78Å; W49-I94 HydrophobicContact CB-CG1 3.86Å; W49-I94 HydrophobicContact CB-CG2 4.39Å; W49-I94 HydrophobicContact CG-CG1 4.07Å; W49-I94 HydrophobicContact CG-CG2 4.31Å; L54-I94 HydrophobicContact CD2-CB 4.48Å; L54-I94 HydrophobicContact CD2-CG2 3.84Å; P55-I94 HydrophobicContact CG-CB 3.81Å; P55-I94 HydrophobicContact CG-CG1 3.7Å; T92-I94 HydrophobicContact CG2-CD1 3.49Å; T92-I94 VanDerWaalsContact CG2-CD1 3.49Å; T92-I94 HydrophobicContact CG2-CG1 4.21Å; I94-Q130 HydrophobicContact CG2-CB 4.32Å; I94-Q130 HydrophobicContact CG2-CG 4.14Å; I94-I131 WeakPolarHBondContact CA-O 3.5Å; I94-A132 HydrophobicContact CD1-CB 3.5Å; I94-F194 WeakPolarHBondContact O-CE1 3.4Å
95	L	98.8	Very high	97.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	166.5	174.9	63.3	85.3	0	0	0	110.8	I93 Q130 I131 L133 I149 P192 F194	I93-L95 HydrophobicContact CG2-CD2 4.34Å; L95-Q130 WeakPolarHBondContact O-CA 3.27Å; L95-I131 HydrophobicContact CD1-CD1 3.62Å; L95-I131 HydrophobicContact CD1-CG1 3.63Å; L95-I131 HydrophobicContact CG-CD1 4.26Å; L95-I131 HydrophobicContact CG-CG1 3.99Å; L95-I131 PolarHBondContact N-O 2.93Å; L95-I131 VanDerWaalsContact N-O 3.14Å; L95-I131 PolarHBondContact O-N 2.65Å; L95-L133 HydrophobicContact CD2-CD1 4.07Å; L95-I149 HydrophobicContact CD2-CD1 4.21Å; L95-P192 HydrophobicContact CD1-CB 3.57Å; L95-F194 HydrophobicContact CB-CD1 4.38Å; L95-F194 HydrophobicContact CB-CD2 4.44Å; L95-F194 HydrophobicContact CB-CE1 4.34Å; L95-F194 HydrophobicContact CB-CE2 4.41Å; L95-F194 HydrophobicContact CB-CG 4.42Å; L95-F194 HydrophobicContact CB-CZ 4.35Å; L95-F194 HydrophobicContact CD2-CE2 4.29Å; L95-F194 HydrophobicContact CD2-CZ 4.5Å
96	H	98.9	Very high	97.8	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.014	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	140.4	-178.3	-65.8	120.1	0	0	0	112.4	L54 E129 R188 P192 C193 D195 E196	L54-H96 VanDerWaalsContact CG-CE1 3.48Å; L54-H96 WeakPolarHBondContact CG-CE1 3.48Å; H96-E129 CarbonylContact C-O 3.14Å; H96-E129 VanDerWaalsContact CA-O 3.25Å; H96-E129 WeakPolarHBondContact CA-O 3.29Å; H96-R188 HydrophobicContact CB-CB 3.68Å; H96-R188 HydrophobicContact CB-CG 4.49Å; H96-R188 PolarHBondContact CD2-NH1 2.86Å; H96-R188 VanDerWaalsContact CD2-NH1 3.34Å; H96-R188 PolarHBondContact CE1-NH2 2.96Å; H96-R188 VanDerWaalsContact CE1-NH2 3.29Å; H96-R188 VanDerWaalsContact CG-CZ 3.48Å; H96-R188 PolarHBondContact ND1-NH2 3.33Å; H96-P192 CarbonylContact O-C 3.54Å; H96-P192 VanDerWaalsContact O-CA 3.32Å; H96-P192 WeakPolarHBondContact O-CA 3.4Å; H96-C193 WeakPolarHBondContact CA-O 3.42Å; H96-C193 WeakPolarHBondContact CB-O 3.3Å; H96-C193 PolarHBondContact N-O 2.81Å; H96-C193 PolarHBondContact O-N 2.83Å; H96-D195 HydrophobicContact CB-CB 3.76Å; H96-D195 PolarHBondContact ND1-N 2.87Å; H96-D195 PolarHBondContact ND1-O 3.35Å; H96-E196 IonicContact CE1-OE1 3.98Å
97	S	98.7	Very high	97.8	Very high	12 Å²	12	48.9 Å²	48.9	8%	0.084	26%	0.261	C	S	.	.			trans	-160.9	127.1	171.8	177.1	0	0	0	0	109.2	E129 R188	S97-E129 PolarHBondContact N-O 2.71Å; S97-E129 CarbonylContact O-C 3.59Å; S97-R188 WeakPolarHBondContact CA-O 3.47Å
98	H	98.3	Very high	97.8	Very high	40 Å²	40	48.6 Å²	48.6	19%	0.185	25%	0.249	C	C	.	.			trans	-135	129.8	-176.7	-171	64.9	0	0	0	110.9	L100 E129 R188 M189	H98-L100 PolarHBondContact O-N 2.91Å; H98-L100 VanDerWaalsContact O-N 3.09Å; H98-E129 HydrophobicContact CB-CB 4.32Å; H98-E129 HydrophobicContact CB-CG 4.46Å; H98-R188 HydrophobicContact CB-CG 4.1Å; H98-R188 PolarHBondContact N-O 2.97Å; H98-M189 HydrophobicContact CB-CG 3.97Å; H98-M189 WeakPolarHBondContact O-CA 3.42Å
99	H	97.5	Very high	97.5	Very high	153 Å²	153	46.5 Å²	46.5	71%	0.708	24%	0.238	S	C	*	.	S	Bend	trans	55	21.4	-177.6	-64.3	-40.9	0	0	0	116.6
100	L	98.5	Very high	96.6	Very high	14 Å²	14	44.1 Å²	44.1	7%	0.073	23%	0.231	C	C	.	.			trans	-102.7	131	171.9	-61.3	178.8	0	0	0	111	F76 H98 I102 Y151 M189 P192	F76-L100 HydrophobicContact CE2-CD2 4.07Å; F76-L100 HydrophobicContact CZ-CD2 3.7Å; H98-L100 PolarHBondContact O-N 2.91Å; H98-L100 VanDerWaalsContact O-N 3.09Å; L100-I102 PolarHBondContact O-N 2.67Å; L100-Y151 HydrophobicContact CB-CD2 4.28Å; L100-Y151 HydrophobicContact CD1-CD2 3.9Å; L100-Y151 HydrophobicContact CD1-CE2 3.94Å; L100-Y151 HydrophobicContact CD2-CD2 3.94Å; L100-Y151 HydrophobicContact CD2-CE2 4.14Å; L100-Y151 HydrophobicContact CG-CD2 4.27Å; L100-M189 WeakPolarHBondContact CD2-O 3.24Å; L100-P192 HydrophobicContact CD1-CG 3.98Å
101	Q	98.4	Very high	95.4	Very high	149 Å²	149	47.1 Å²	47.1	70%	0.696	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	107.3	173.8	-175.2	-178.6	5.6	0	0	109.8	Y151 A152	Q101-Y151 CarbonylContact O-C 3.6Å; Q101-Y151 WeakPolarHBondContact O-CA 3.24Å; Q101-Y151 WeakPolarHBondContact O-CB 3.35Å; Q101-A152 PolarHBondContact N-O 3.49Å; Q101-A152 PolarHBondContact O-N 2.75Å
102	I	98.4	Very high	94.1	Very high	25 Å²	25	48.3 Å²	48.3	13%	0.128	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.3	179.8	-59.2	170.7	0	0	0	109.6	L100 V122 I131 I149	L100-I102 PolarHBondContact O-N 2.67Å; I102-V122 HydrophobicContact CD1-CG1 4.06Å; I102-V122 HydrophobicContact CG2-CG1 4.46Å; I102-V122 HydrophobicContact CG2-CG2 4.11Å; I102-I131 HydrophobicContact CD1-CD1 3.36Å; I102-I131 HydrophobicContact CD1-CG2 4.01Å; I102-I149 HydrophobicContact CG1-CG2 4.39Å; I102-I149 HydrophobicContact CG2-CG2 3.79Å
103	S	97.4	Very high	92.2	Very high	93 Å²	93	56.9 Å²	56.9	65%	0.65	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	-30.9	-177.7	62.6	0	0	0	0	113.2	H150	S103-H150 PolarHBondContact N-O 3.12Å; S103-H150 PolarHBondContact OG-O 2.87Å; S103-H150 VanDerWaalsContact OG-O 3.09Å
104	R	97.9	Very high	91.1	Very high	143 Å²	143	67.4 Å²	67.4	54%	0.54	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	138.3	179.6	-178.3	177.5	-179.8	-177	-1.1	110.8	T106 H150	R104-T106 HydrophobicContact CG-CG2 4.44Å; R104-H150 HydrophobicContact CB-CB 4.33Å; R104-H150 PolarHBondContact N-O 2.75Å; R104-H150 PolarHBondContact O-N 3.49Å
105	A	98.4	Very high	90.4	Very high	7 Å²	7	70.9 Å²	70.9	6%	0.058	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.7	168.1	0	0	0	0	0	110.6	L120 V122 L133 V148	A105-L120 HydrophobicContact CB-CB 3.88Å; A105-L120 HydrophobicContact CB-CD1 4.42Å; A105-L120 PolarHBondContact O-N 2.78Å; A105-V122 HydrophobicContact CB-CG2 3.72Å; A105-L133 HydrophobicContact CB-CD2 4.12Å; A105-V148 CarbonylContact C-O 3.53Å; A105-V148 VanDerWaalsContact CA-O 3.28Å; A105-V148 WeakPolarHBondContact CA-O 3.23Å
106	T	98.2	Very high	89.9	Confident	4 Å²	4	73.3 Å²	73.3	3%	0.025	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.8	174.2	56.4	0	0	0	0	111.5	R104 E117 E118 V147 V148	R104-T106 HydrophobicContact CG-CG2 4.44Å; T106-E117 WeakPolarHBondContact CB-OE1 3.22Å; T106-E117 HydrophobicContact CG2-CG 4.1Å; T106-E117 PolarHBondContact OG1-OE1 2.98Å; T106-E118 CarbonylContact C-O 3.59Å; T106-E118 WeakPolarHBondContact CA-O 3.45Å; T106-E118 WeakPolarHBondContact CB-O 3.28Å; T106-V147 WeakPolarHBondContact O-CA 3.43Å; T106-V148 PolarHBondContact N-O 3.15Å; T106-V148 PolarHBondContact O-N 3.16Å
107	L	97.6	Very high	89.6	Confident	5 Å²	5	76.8 Å²	76.8	3%	0.026	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.4	172.6	-171	66.4	0	0	0	108.8	I93 E117 E118 L120 A135 L139 Y145 V147	I93-L107 HydrophobicContact CD1-CD1 4.12Å; L107-E117 WeakPolarHBondContact O-CA 3.31Å; L107-E118 PolarHBondContact N-O 2.74Å; L107-E118 PolarHBondContact O-N 3.46Å; L107-L120 HydrophobicContact CB-CD1 3.96Å; L107-L120 HydrophobicContact CB-CD2 3.94Å; L107-L120 HydrophobicContact CB-CG 3.94Å; L107-A135 HydrophobicContact CD2-CB 4.05Å; L107-L139 HydrophobicContact CD2-CD1 3.85Å; L107-L139 HydrophobicContact CD2-CG 4.29Å; L107-Y145 HydrophobicContact CD1-CD1 4Å; L107-Y145 HydrophobicContact CD1-CG 4.33Å; L107-Y145 HydrophobicContact CD2-CD1 3.86Å; L107-Y145 HydrophobicContact CD2-CE1 4.1Å; L107-Y145 HydrophobicContact CG-CD1 3.86Å; L107-V147 HydrophobicContact CD1-CG2 3.89Å
108	R	94.8	Very high	89.4	Confident	68 Å²	68	78.4 Å²	78.4	26%	0.257	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.4	176.6	-65.6	177.3	177.8	-150	-11.5	111.2	L115 S116 E117 Y145 T146 V148	R108-L115 HydrophobicContact CB-CD1 4.02Å; R108-L115 HydrophobicContact CG-CD1 4.42Å; R108-S116 VanDerWaalsContact CA-O 3.28Å; R108-S116 WeakPolarHBondContact CA-O 3.5Å; R108-E117 HydrophobicContact CG-CB 4.16Å; R108-E117 HydrophobicContact CG-CG 3.97Å; R108-E117 IonicContact CZ-OE1 3.54Å; R108-E117 VanDerWaalsContact CZ-OE1 3.25Å; R108-E117 IonicContact CZ-OE2 2.81Å; R108-E117 VanDerWaalsContact NE-CD 3.26Å; R108-E117 IonicContact NE-OE1 3.46Å; R108-E117 PolarHBondContact NE-OE1 2.86Å; R108-E117 IonicContact NE-OE2 2.66Å; R108-E117 IonicContact NH2-OE1 2.69Å; R108-E117 PolarHBondContact NH2-OE1 3.02Å; R108-E117 IonicContact NH2-OE2 3.54Å; R108-E117 PolarHBondContact NH2-OE2 2.69Å; R108-Y145 WeakPolarHBondContact O-CA 3.23Å; R108-T146 WeakPolarHBondContact CB-O 3.41Å; R108-T146 PolarHBondContact N-O 2.76Å; R108-T146 PolarHBondContact O-N 3Å; R108-V148 HydrophobicContact CG-CG2 4.39Å
109	K	89.6	Confident	89.3	Confident	68 Å²	68	81.3 Å²	81.3	30%	0.296	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.7	179.5	-171.8	-176.1	-173	177.9	0	109.5	L115 S116 Y145	K109-L115 WeakPolarHBondContact O-CA 3.41Å; K109-S116 PolarHBondContact N-O 3.42Å; K109-S116 PolarHBondContact O-N 2.72Å; K109-Y145 HydrophobicContact CB-CD1 4.07Å; K109-Y145 HydrophobicContact CB-CE1 4.02Å; K109-Y145 HydrophobicContact CD-CE1 3.81Å; K109-Y145 HydrophobicContact CG-CD1 4.23Å; K109-Y145 HydrophobicContact CG-CE1 3.84Å
110	G	78.8	Confident	89.3	Confident	51 Å²	51	74.6 Å²	74.6	53%	0.526	40%	0.404	S	S	.	.	S	Bend	trans	79.3	-170.3	-176.9	0	0	0	0	0	113.9	L115	G110-L115 VanDerWaalsContact O-CD1 3.26Å; G110-L115 WeakPolarHBondContact O-CD1 3.45Å
111	A	70.7	Confident	89.3	Confident	80 Å²	80	79.7 Å²	79.7	66%	0.661	43%	0.427	S	S	*	.	S	Bend	trans	-145.8	159.2	-178.2	0	0	0	0	0	111.3	R114	A111-R114 PolarHBondContact O-N 3.41Å
112	G	69	Low	89.2	Confident	66 Å²	66	74.4 Å²	74.4	68%	0.68	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	60.9	-136.6	179.4	0	0	0	0	0	112.8	R114 L115	G112-R114 PolarHBondContact O-N 2.78Å; G112-R114 VanDerWaalsContact O-N 3.1Å; G112-L115 VanDerWaalsContact O-CB 3.29Å; G112-L115 WeakPolarHBondContact O-CB 3.43Å; G112-L115 PolarHBondContact O-N 3.28Å; G112-L115 VanDerWaalsContact O-N 3.15Å
113	E	59.5	Low	89.1	Confident	209 Å²	209	73.9 Å²	73.9	98%	0.977	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-64.3	-12	-180	-60.2	-176	154.9	0	0	114.3
114	R	75.8	Confident	89	Confident	222 Å²	222	73 Å²	73	84%	0.838	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-103.3	14.8	177.5	-74.8	-178	161.1	-171.1	-6	113.6	A111 G112 S116	A111-R114 PolarHBondContact O-N 3.41Å; G112-R114 PolarHBondContact O-N 2.78Å; G112-R114 VanDerWaalsContact O-N 3.1Å; R114-S116 PolarHBondContact O-N 3.22Å
115	L	82.8	Confident	88.9	Confident	77 Å²	77	67.4 Å²	67.4	40%	0.403	37%	0.368	S	S	.	.			trans	-71.2	108.8	176.8	-173.8	71.4	0	0	0	110.7	R108 K109 G110 G112	R108-L115 HydrophobicContact CB-CD1 4.02Å; R108-L115 HydrophobicContact CG-CD1 4.42Å; K109-L115 WeakPolarHBondContact O-CA 3.41Å; G110-L115 VanDerWaalsContact O-CD1 3.26Å; G110-L115 WeakPolarHBondContact O-CD1 3.45Å; G112-L115 VanDerWaalsContact O-CB 3.29Å; G112-L115 WeakPolarHBondContact O-CB 3.43Å; G112-L115 PolarHBondContact O-N 3.28Å; G112-L115 VanDerWaalsContact O-N 3.15Å
116	S	88	Confident	88.8	Confident	50 Å²	50	71.3 Å²	71.3	35%	0.35	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	142.7	160.7	-167.8	0	0	0	0	109.1	R108 K109 R114 E118	R108-S116 VanDerWaalsContact CA-O 3.28Å; R108-S116 WeakPolarHBondContact CA-O 3.5Å; K109-S116 PolarHBondContact N-O 3.42Å; K109-S116 PolarHBondContact O-N 2.72Å; R114-S116 PolarHBondContact O-N 3.22Å; S116-E118 PolarHBondContact OG-OE1 2.94Å
117	E	93.4	Very high	88.5	Confident	76 Å²	76	82.2 Å²	82.2	36%	0.355	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	116.7	170.8	-178.2	162.3	-143.8	0	0	110	T106 L107 R108	T106-E117 WeakPolarHBondContact CB-OE1 3.22Å; T106-E117 HydrophobicContact CG2-CG 4.1Å; T106-E117 PolarHBondContact OG1-OE1 2.98Å; L107-E117 WeakPolarHBondContact O-CA 3.31Å; R108-E117 HydrophobicContact CG-CB 4.16Å; R108-E117 HydrophobicContact CG-CG 3.97Å; R108-E117 IonicContact CZ-OE1 3.54Å; R108-E117 VanDerWaalsContact CZ-OE1 3.25Å; R108-E117 IonicContact CZ-OE2 2.81Å; R108-E117 VanDerWaalsContact NE-CD 3.26Å; R108-E117 IonicContact NE-OE1 3.46Å; R108-E117 PolarHBondContact NE-OE1 2.86Å; R108-E117 IonicContact NE-OE2 2.66Å; R108-E117 IonicContact NH2-OE1 2.69Å; R108-E117 PolarHBondContact NH2-OE1 3.02Å; R108-E117 IonicContact NH2-OE2 3.54Å; R108-E117 PolarHBondContact NH2-OE2 2.69Å
118	E	94.4	Very high	88.5	Confident	47 Å²	47	83 Å²	83	22%	0.22	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.7	-174.6	-73.2	153.5	-137.1	0	0	110.3	T106 L107 S116 P136	T106-E118 CarbonylContact C-O 3.59Å; T106-E118 WeakPolarHBondContact CA-O 3.45Å; T106-E118 WeakPolarHBondContact CB-O 3.28Å; L107-E118 PolarHBondContact N-O 2.74Å; L107-E118 PolarHBondContact O-N 3.46Å; S116-E118 PolarHBondContact OG-OE1 2.94Å; E118-P136 HydrophobicContact CB-CG 4.25Å; E118-P136 HydrophobicContact CG-CG 4.4Å
119	P	96.9	Very high	88.6	Confident	101 Å²	101	81.6 Å²	81.6	66%	0.656	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.3	175.9	30.7	-33.9	0	0	0	111
120	L	97.6	Very high	89.1	Confident	12 Å²	12	78.5 Å²	78.5	6%	0.063	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-102.8	129.2	172.2	-69.6	169.4	0	0	0	109.7	A105 L107 L133 L134 A135 V147	A105-L120 HydrophobicContact CB-CB 3.88Å; A105-L120 HydrophobicContact CB-CD1 4.42Å; A105-L120 PolarHBondContact O-N 2.78Å; L107-L120 HydrophobicContact CB-CD1 3.96Å; L107-L120 HydrophobicContact CB-CD2 3.94Å; L107-L120 HydrophobicContact CB-CG 3.94Å; L120-L133 HydrophobicContact CB-CB 4.25Å; L120-L133 HydrophobicContact CD1-CB 4.02Å; L120-L133 HydrophobicContact CD1-CD1 4.11Å; L120-L133 HydrophobicContact CD2-CB 4.41Å; L120-L133 HydrophobicContact CG-CB 4.46Å; L120-L134 WeakPolarHBondContact CA-O 3.38Å; L120-L134 WeakPolarHBondContact CD2-O 3.21Å; L120-A135 HydrophobicContact CD2-CB 3.83Å; L120-V147 HydrophobicContact CD1-CG1 3.92Å
121	Q	97.1	Very high	90	Very high	120 Å²	120	76.2 Å²	76.2	56%	0.561	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	128.5	168.9	178.1	179.8	-6.5	0	0	109	L133 L134	Q121-L133 WeakPolarHBondContact O-CA 3.48Å; Q121-L134 HydrophobicContact CB-CB 4.22Å; Q121-L134 HydrophobicContact CB-CD1 4.48Å; Q121-L134 HydrophobicContact CG-CD1 4.45Å; Q121-L134 PolarHBondContact N-O 3.27Å; Q121-L134 VanDerWaalsContact N-O 3.1Å; Q121-L134 PolarHBondContact O-N 3.48Å
122	V	97.4	Very high	91.3	Very high	39 Å²	39	72.4 Å²	72.4	24%	0.236	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126	-179.9	-171.2	0	0	0	0	109.9	I102 A105 I131 L133	I102-V122 HydrophobicContact CD1-CG1 4.06Å; I102-V122 HydrophobicContact CG2-CG1 4.46Å; I102-V122 HydrophobicContact CG2-CG2 4.11Å; A105-V122 HydrophobicContact CB-CG2 3.72Å; V122-I131 HydrophobicContact CG1-CB 4.49Å; V122-L133 HydrophobicContact CB-CD2 4.35Å; V122-L133 HydrophobicContact CG1-CD2 4.12Å; V122-L133 HydrophobicContact CG2-CD2 3.84Å
123	L	96.1	Very high	92.7	Very high	13 Å²	13	69.3 Å²	69.3	7%	0.068	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	147	164.7	-56.8	179.4	0	0	0	109.1	F47 I131 A132 L134	F47-L123 HydrophobicContact CD2-CB 4.09Å; F47-L123 HydrophobicContact CE2-CB 4.23Å; L123-I131 CarbonylContact O-C 3.59Å; L123-I131 WeakPolarHBondContact O-CA 3.24Å; L123-I131 WeakPolarHBondContact O-CB 3.28Å; L123-A132 HydrophobicContact CB-CB 4.3Å; L123-A132 PolarHBondContact N-O 3.49Å; L123-A132 PolarHBondContact O-N 3.08Å; L123-L134 HydrophobicContact CD1-CD1 3.96Å; L123-L134 HydrophobicContact CD1-CG 4.5Å; L123-L134 HydrophobicContact CG-CD1 4.29Å
124	E	95.6	Very high	94.5	Very high	76 Å²	76	61.5 Å²	61.5	36%	0.355	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.5	-177.8	-59.4	176.4	178.2	0	0	110.6	I131	E124-I131 HydrophobicContact CB-CG2 4.44Å; E124-I131 HydrophobicContact CG-CG2 4.03Å
125	H	96.3	Very high	95.5	Very high	24 Å²	24	51.4 Å²	51.4	11%	0.111	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	82.3	172.7	-170.1	-89.6	0	0	0	111.1	P39 F47 R127 Q128 E129 Q130	P39-H125 WeakPolarHBondContact CB-NE2 3.27Å; F47-H125 HydrophobicContact CB-CB 4.39Å; F47-H125 HydrophobicContact CD1-CB 3.66Å; F47-H125 HydrophobicContact CD2-CB 3.71Å; F47-H125 HydrophobicContact CE1-CB 3.73Å; F47-H125 HydrophobicContact CE2-CB 3.76Å; F47-H125 HydrophobicContact CG-CB 3.66Å; F47-H125 HydrophobicContact CZ-CB 3.79Å; H125-R127 PolarHBondContact O-N 3.24Å; H125-R127 VanDerWaalsContact O-N 3.09Å; H125-Q128 VanDerWaalsContact CE1-CD 3.47Å; H125-Q128 PolarHBondContact CE1-OE1 2.78Å; H125-Q128 VanDerWaalsContact ND1-CB 3.35Å; H125-Q128 WeakPolarHBondContact ND1-CB 3.45Å; H125-Q128 WeakPolarHBondContact ND1-CG 3.26Å; H125-Q128 PolarHBondContact ND1-N 2.84Å; H125-Q128 PolarHBondContact ND1-OE1 2.88Å; H125-Q128 PolarHBondContact O-N 3.28Å; H125-E129 PolarHBondContact O-N 3.1Å; H125-Q130 PolarHBondContact N-O 2.86Å; H125-Q130 PolarHBondContact O-N 2.89Å
126	P	94.6	Very high	96	Very high	90 Å²	90	51.9 Å²	51.9	58%	0.584	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-57.1	-30.5	-171.5	-28.7	36.3	0	0	0	115.1	Q128 E129	P126-Q128 VanDerWaalsContact C-N 3.3Å; P126-Q128 PolarHBondContact O-N 3.42Å; P126-E129 PolarHBondContact O-N 2.82Å; P126-E129 VanDerWaalsContact O-N 3.09Å
127	R	93.8	Very high	96.3	Very high	232 Å²	232	55.6 Å²	55.6	88%	0.875	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-70.4	-20.1	178.6	-71.4	-170	68.9	-139.7	-2.4	114.7	H125	H125-R127 PolarHBondContact O-N 3.24Å; H125-R127 VanDerWaalsContact O-N 3.09Å
128	Q	96.1	Very high	96.4	Very high	23 Å²	23	55.7 Å²	55.7	11%	0.107	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-103.9	1.4	170.5	-76.8	156.7	-131.6	0	0	110.9	W49 K51 I52 H125 P126 Q130	W49-Q128 PolarHBondContact O-NE2 3.11Å; K51-Q128 PolarHBondContact O-NE2 3.15Å; I52-Q128 HydrophobicContact CG1-CG 4.41Å; H125-Q128 VanDerWaalsContact CE1-CD 3.47Å; H125-Q128 PolarHBondContact CE1-OE1 2.78Å; H125-Q128 VanDerWaalsContact ND1-CB 3.35Å; H125-Q128 WeakPolarHBondContact ND1-CB 3.45Å; H125-Q128 WeakPolarHBondContact ND1-CG 3.26Å; H125-Q128 PolarHBondContact ND1-N 2.84Å; H125-Q128 PolarHBondContact ND1-OE1 2.88Å; H125-Q128 PolarHBondContact O-N 3.28Å; P126-Q128 VanDerWaalsContact C-N 3.3Å; P126-Q128 PolarHBondContact O-N 3.42Å; Q128-Q130 HydrophobicContact CB-CB 4.17Å; Q128-Q130 HydrophobicContact CB-CG 4.12Å; Q128-Q130 WeakPolarHBondContact O-CG 3.33Å; Q128-Q130 PolarHBondContact O-N 2.95Å; Q128-Q130 VanDerWaalsContact O-N 3.16Å
129	E	98.3	Very high	96.4	Very high	38 Å²	38	53.5 Å²	53.5	18%	0.178	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	30.2	-174.3	-55.1	172.2	-175	0	0	112.9	H96 S97 H98 H125 P126 R188	H96-E129 CarbonylContact C-O 3.14Å; H96-E129 VanDerWaalsContact CA-O 3.25Å; H96-E129 WeakPolarHBondContact CA-O 3.29Å; S97-E129 PolarHBondContact N-O 2.71Å; S97-E129 CarbonylContact O-C 3.59Å; H98-E129 HydrophobicContact CB-CB 4.32Å; H98-E129 HydrophobicContact CB-CG 4.46Å; H125-E129 PolarHBondContact O-N 3.1Å; P126-E129 PolarHBondContact O-N 2.82Å; P126-E129 VanDerWaalsContact O-N 3.09Å; E129-R188 WeakPolarHBondContact OE2-CD 3.25Å; E129-R188 IonicContact OE2-CZ 3.49Å; E129-R188 IonicContact OE2-NE 2.67Å; E129-R188 IonicContact OE2-NH1 3.56Å; E129-R188 PolarHBondContact OE2-NH1 3.24Å
130	Q	98.6	Very high	96.2	Very high	2 Å²	2	53 Å²	53	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	153.7	-172.3	-79.4	166.8	6.1	0	0	112	F47 K51 I52 L54 I94 L95 H125 Q128	F47-Q130 HydrophobicContact CE1-CB 4.16Å; F47-Q130 HydrophobicContact CZ-CB 3.96Å; K51-Q130 PolarHBondContact O-NE2 3.25Å; K51-Q130 PolarHBondContact O-OE1 3.1Å; I52-Q130 PolarHBondContact O-NE2 2.77Å; L54-Q130 HydrophobicContact CD2-CG 4.09Å; I94-Q130 HydrophobicContact CG2-CB 4.32Å; I94-Q130 HydrophobicContact CG2-CG 4.14Å; L95-Q130 WeakPolarHBondContact O-CA 3.27Å; H125-Q130 PolarHBondContact N-O 2.86Å; H125-Q130 PolarHBondContact O-N 2.89Å; Q128-Q130 HydrophobicContact CB-CB 4.17Å; Q128-Q130 HydrophobicContact CB-CG 4.12Å; Q128-Q130 WeakPolarHBondContact O-CG 3.33Å; Q128-Q130 PolarHBondContact O-N 2.95Å; Q128-Q130 VanDerWaalsContact O-N 3.16Å
131	I	98.5	Very high	96.2	Very high	4 Å²	4	56 Å²	56	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	152.8	164.6	63.7	173.8	0	0	0	110	I94 L95 I102 V122 L123 E124 L133 P192	I94-I131 WeakPolarHBondContact CA-O 3.5Å; L95-I131 HydrophobicContact CD1-CD1 3.62Å; L95-I131 HydrophobicContact CD1-CG1 3.63Å; L95-I131 HydrophobicContact CG-CD1 4.26Å; L95-I131 HydrophobicContact CG-CG1 3.99Å; L95-I131 PolarHBondContact N-O 2.93Å; L95-I131 VanDerWaalsContact N-O 3.14Å; L95-I131 PolarHBondContact O-N 2.65Å; I102-I131 HydrophobicContact CD1-CD1 3.36Å; I102-I131 HydrophobicContact CD1-CG2 4.01Å; V122-I131 HydrophobicContact CG1-CB 4.49Å; L123-I131 CarbonylContact O-C 3.59Å; L123-I131 WeakPolarHBondContact O-CA 3.24Å; L123-I131 WeakPolarHBondContact O-CB 3.28Å; E124-I131 HydrophobicContact CB-CG2 4.44Å; E124-I131 HydrophobicContact CG-CG2 4.03Å; I131-L133 HydrophobicContact CD1-CD2 3.98Å; I131-P192 HydrophobicContact CD1-CB 4.37Å
132	A	98.5	Very high	95.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.8	170.9	0	0	0	0	0	109	F47 P48 T92 I93 I94 L123 L134	F47-A132 HydrophobicContact CD2-CB 4.24Å; F47-A132 HydrophobicContact CE2-CB 3.53Å; F47-A132 HydrophobicContact CZ-CB 3.83Å; P48-A132 HydrophobicContact CG-CB 3.57Å; T92-A132 HydrophobicContact CG2-CB 4.21Å; I93-A132 CarbonylContact O-C 3.53Å; I93-A132 WeakPolarHBondContact O-CA 3.37Å; I94-A132 HydrophobicContact CD1-CB 3.5Å; L123-A132 HydrophobicContact CB-CB 4.3Å; L123-A132 PolarHBondContact N-O 3.49Å; L123-A132 PolarHBondContact O-N 3.08Å; A132-L134 HydrophobicContact CB-CD2 4.48Å
133	L	98.3	Very high	95.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	114.5	175.6	-49.6	176.8	0	0	0	108	T92 I93 L95 A105 L120 Q121 V122 I131 V147 I149	T92-L133 WeakPolarHBondContact CA-O 3.2Å; I93-L133 HydrophobicContact CB-CB 4.28Å; I93-L133 PolarHBondContact N-O 3.12Å; I93-L133 PolarHBondContact O-N 2.69Å; L95-L133 HydrophobicContact CD2-CD1 4.07Å; A105-L133 HydrophobicContact CB-CD2 4.12Å; L120-L133 HydrophobicContact CB-CB 4.25Å; L120-L133 HydrophobicContact CD1-CB 4.02Å; L120-L133 HydrophobicContact CD1-CD1 4.11Å; L120-L133 HydrophobicContact CD2-CB 4.41Å; L120-L133 HydrophobicContact CG-CB 4.46Å; Q121-L133 WeakPolarHBondContact O-CA 3.48Å; V122-L133 HydrophobicContact CB-CD2 4.35Å; V122-L133 HydrophobicContact CG1-CD2 4.12Å; V122-L133 HydrophobicContact CG2-CD2 3.84Å; I131-L133 HydrophobicContact CD1-CD2 3.98Å; L133-V147 HydrophobicContact CD1-CG1 3.49Å; L133-V147 VanDerWaalsContact CD1-CG1 3.49Å; L133-I149 HydrophobicContact CD1-CD1 4.03Å
134	L	97.8	Very high	95.7	Very high	45 Å²	45	57.3 Å²	57.3	24%	0.236	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.6	-178.1	-46.1	-179.5	0	0	0	109.9	P48 T92 L120 Q121 L123 A132	P48-L134 HydrophobicContact CG-CD2 4.3Å; T92-L134 HydrophobicContact CG2-CD2 3.98Å; L120-L134 WeakPolarHBondContact CA-O 3.38Å; L120-L134 WeakPolarHBondContact CD2-O 3.21Å; Q121-L134 HydrophobicContact CB-CB 4.22Å; Q121-L134 HydrophobicContact CB-CD1 4.48Å; Q121-L134 HydrophobicContact CG-CD1 4.45Å; Q121-L134 PolarHBondContact N-O 3.27Å; Q121-L134 VanDerWaalsContact N-O 3.1Å; Q121-L134 PolarHBondContact O-N 3.48Å; L123-L134 HydrophobicContact CD1-CD1 3.96Å; L123-L134 HydrophobicContact CD1-CG 4.5Å; L123-L134 HydrophobicContact CG-CD1 4.29Å; A132-L134 HydrophobicContact CB-CD2 4.48Å
135	A	96.3	Very high	95.8	Very high	11 Å²	11	54.1 Å²	54.1	9%	0.091	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	147.8	173.8	0	0	0	0	0	111.2	S91 L107 L120 E137 L139	S91-A135 PolarHBondContact O-N 3.4Å; L107-A135 HydrophobicContact CD2-CB 4.05Å; L120-A135 HydrophobicContact CD2-CB 3.83Å; A135-E137 VanDerWaalsContact C-N 3.33Å; A135-E137 WeakPolarHBondContact CB-O 3.32Å; A135-L139 HydrophobicContact CB-CD1 3.94Å
136	P	93.6	Very high	95.9	Very high	87 Å²	87	55 Å²	55	57%	0.565	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	-31.3	178.9	28.9	-34.9	0	0	0	112.5	E118	E118-P136 HydrophobicContact CB-CG 4.25Å; E118-P136 HydrophobicContact CG-CG 4.4Å
137	E	92.7	Very high	96.1	Very high	128 Å²	128	50.8 Å²	50.8	60%	0.598	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.1	175.7	-65.1	-170.1	179.5	0	0	110.9	A135	A135-E137 VanDerWaalsContact C-N 3.33Å; A135-E137 WeakPolarHBondContact CB-O 3.32Å
138	P	95.3	Very high	96.3	Very high	77 Å²	77	39.9 Å²	39.9	50%	0.5	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	135.7	172.5	-20.6	32.2	0	0	0	112.6	S91 L140	S91-P138 WeakPolarHBondContact OG-CA 3.49Å; P138-L140 PolarHBondContact O-N 3.24Å
139	L	94.8	Very high	96.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	133.9	169.8	-80.5	70.6	0	0	0	109.9	I84 A86 T90 I93 L107 A135 Y145	I84-L139 HydrophobicContact CD1-CD2 3.92Å; A86-L139 HydrophobicContact CB-CB 4.22Å; A86-L139 HydrophobicContact CB-CD2 4.48Å; T90-L139 WeakPolarHBondContact O-CB 3.43Å; T90-L139 WeakPolarHBondContact O-CD1 3.45Å; T90-L139 PolarHBondContact O-N 2.67Å; I93-L139 HydrophobicContact CD1-CD1 4.49Å; I93-L139 HydrophobicContact CD1-CD2 4.1Å; I93-L139 HydrophobicContact CG1-CD2 4.28Å; L107-L139 HydrophobicContact CD2-CD1 3.85Å; L107-L139 HydrophobicContact CD2-CG 4.29Å; A135-L139 HydrophobicContact CB-CD1 3.94Å; L139-Y145 HydrophobicContact CB-CE2 4.04Å; L139-Y145 HydrophobicContact CD2-CD2 4.11Å; L139-Y145 HydrophobicContact CD2-CE2 4.42Å; L139-Y145 HydrophobicContact CD2-CG 4.26Å; L139-Y145 HydrophobicContact CG-CD1 4.4Å; L139-Y145 HydrophobicContact CG-CD2 4.19Å; L139-Y145 HydrophobicContact CG-CE1 4.21Å; L139-Y145 HydrophobicContact CG-CE2 4.04Å; L139-Y145 HydrophobicContact CG-CG 4.37Å
140	L	93.7	Very high	96.5	Very high	89 Å²	89	39.7 Å²	39.7	47%	0.466	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-80.9	132.2	177.3	-63	177	0	0	0	110.3	P138 G142 L143 Y145	P138-L140 PolarHBondContact O-N 3.24Å; L140-G142 PolarHBondContact O-N 2.88Å; L140-L143 HydrophobicContact CB-CD1 3.79Å; L140-L143 HydrophobicContact CB-CG 4.05Å; L140-L143 HydrophobicContact CD1-CD1 3.76Å; L140-L143 HydrophobicContact CG-CD1 4.4Å; L140-L143 PolarHBondContact O-N 2.78Å; L140-Y145 PolarHBondContact N-OH 3.19Å
141	V	96.4	Very high	96.5	Very high	76 Å²	76	39.9 Å²	39.9	46%	0.461	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	134.5	-177.5	176.8	0	0	0	0	111.3	A86 P89 L143	A86-V141 CarbonylContact O-C 3.54Å; A86-V141 WeakPolarHBondContact O-CA 3.44Å; P89-V141 HydrophobicContact CG-CG2 3.8Å; V141-L143 PolarHBondContact O-N 2.86Å
142	G	92.4	Very high	96.5	Very high	55 Å²	55	40.8 Å²	40.8	57%	0.567	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	-2	175.7	0	0	0	0	0	115.9	A86 L140	A86-G142 PolarHBondContact O-N 3.16Å; L140-G142 PolarHBondContact O-N 2.88Å
143	L	93.7	Very high	96.5	Very high	74 Å²	74	41.2 Å²	41.2	39%	0.387	25%	0.249	S	C	.	.			trans	-84.7	142.6	172.2	-62	-167.4	0	0	0	111.1	L140 V141 Y145	L140-L143 HydrophobicContact CB-CD1 3.79Å; L140-L143 HydrophobicContact CB-CG 4.05Å; L140-L143 HydrophobicContact CD1-CD1 3.76Å; L140-L143 HydrophobicContact CG-CD1 4.4Å; L140-L143 PolarHBondContact O-N 2.78Å; V141-L143 PolarHBondContact O-N 2.86Å; L143-Y145 HydrophobicContact CB-CD2 4.45Å; L143-Y145 HydrophobicContact CB-CE2 3.95Å; L143-Y145 WeakPolarHBondContact O-CD2 3.38Å
144	P	95.4	Very high	96.5	Very high	70 Å²	70	47.1 Å²	47.1	46%	0.455	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.3	171	31.1	-33.5	0	0	0	110.5	E83 I84	E83-P144 HydrophobicContact CG-CB 4.45Å; E83-P144 WeakPolarHBondContact OE1-CB 3.39Å; I84-P144 WeakPolarHBondContact O-CA 3.34Å
145	Y	96.9	Very high	96.5	Very high	9 Å²	9	45.3 Å²	45.3	4%	0.035	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.4	170.9	-71.8	-100.1	0	0	0	109	E83 I84 L107 R108 K109 L139 L140 L143	E83-Y145 CarbonylContact C-O 3.59Å; E83-Y145 WeakPolarHBondContact CA-O 3.28Å; I84-Y145 PolarHBondContact N-O 2.92Å; I84-Y145 PolarHBondContact O-N 3.04Å; L107-Y145 HydrophobicContact CD1-CD1 4Å; L107-Y145 HydrophobicContact CD1-CG 4.33Å; L107-Y145 HydrophobicContact CD2-CD1 3.86Å; L107-Y145 HydrophobicContact CD2-CE1 4.1Å; L107-Y145 HydrophobicContact CG-CD1 3.86Å; R108-Y145 WeakPolarHBondContact O-CA 3.23Å; K109-Y145 HydrophobicContact CB-CD1 4.07Å; K109-Y145 HydrophobicContact CB-CE1 4.02Å; K109-Y145 HydrophobicContact CD-CE1 3.81Å; K109-Y145 HydrophobicContact CG-CD1 4.23Å; K109-Y145 HydrophobicContact CG-CE1 3.84Å; L139-Y145 HydrophobicContact CB-CE2 4.04Å; L139-Y145 HydrophobicContact CD2-CD2 4.11Å; L139-Y145 HydrophobicContact CD2-CE2 4.42Å; L139-Y145 HydrophobicContact CD2-CG 4.26Å; L139-Y145 HydrophobicContact CG-CD1 4.4Å; L139-Y145 HydrophobicContact CG-CD2 4.19Å; L139-Y145 HydrophobicContact CG-CE1 4.21Å; L139-Y145 HydrophobicContact CG-CE2 4.04Å; L139-Y145 HydrophobicContact CG-CG 4.37Å; L140-Y145 PolarHBondContact N-OH 3.19Å; L143-Y145 HydrophobicContact CB-CD2 4.45Å; L143-Y145 HydrophobicContact CB-CE2 3.95Å; L143-Y145 WeakPolarHBondContact O-CD2 3.38Å
146	T	98.3	Very high	96.6	Very high	44 Å²	44	45.8 Å²	45.8	27%	0.27	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.6	171.6	-47	0	0	0	0	110	K81 V82 R108 V148	K81-T146 HydrophobicContact CB-CG2 3.73Å; V82-T146 CarbonylContact O-C 3.23Å; V82-T146 WeakPolarHBondContact O-CA 3.3Å; R108-T146 WeakPolarHBondContact CB-O 3.41Å; R108-T146 PolarHBondContact N-O 2.76Å; R108-T146 PolarHBondContact O-N 3Å; T146-V148 HydrophobicContact CG2-CG2 4.28Å
147	V	98.5	Very high	96.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.1	170.5	-177.2	0	0	0	0	107.9	K81 V82 I84 I93 T106 L107 L120 L133 I149	K81-V147 CarbonylContact C-O 3.33Å; K81-V147 VanDerWaalsContact CA-O 3.23Å; K81-V147 WeakPolarHBondContact CA-O 3.21Å; V82-V147 HydrophobicContact CG1-CB 3.8Å; V82-V147 HydrophobicContact CG1-CG2 4.38Å; V82-V147 PolarHBondContact N-O 2.97Å; V82-V147 PolarHBondContact O-N 2.71Å; I84-V147 HydrophobicContact CD1-CG2 3.58Å; I84-V147 HydrophobicContact CG1-CG2 4.13Å; I93-V147 HydrophobicContact CD1-CG2 3.7Å; T106-V147 WeakPolarHBondContact O-CA 3.43Å; L107-V147 HydrophobicContact CD1-CG2 3.89Å; L120-V147 HydrophobicContact CD1-CG1 3.92Å; L133-V147 HydrophobicContact CD1-CG1 3.49Å; L133-V147 VanDerWaalsContact CD1-CG1 3.49Å; V147-I149 HydrophobicContact CG1-CD1 4.05Å; V147-I149 HydrophobicContact CG1-CG1 3.84Å
148	V	98.7	Very high	96.9	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.5	176.5	-177.7	0	0	0	0	109.2	T79 T80 K81 A105 T106 R108 T146	T79-V148 HydrophobicContact CG2-CG1 4.24Å; T80-V148 CarbonylContact O-C 3.56Å; T80-V148 WeakPolarHBondContact O-CA 3.23Å; K81-V148 HydrophobicContact CB-CG2 4.14Å; K81-V148 HydrophobicContact CD-CG2 4.27Å; K81-V148 HydrophobicContact CG-CG1 4.24Å; K81-V148 HydrophobicContact CG-CG2 3.99Å; A105-V148 CarbonylContact C-O 3.53Å; A105-V148 VanDerWaalsContact CA-O 3.28Å; A105-V148 WeakPolarHBondContact CA-O 3.23Å; T106-V148 PolarHBondContact N-O 3.15Å; T106-V148 PolarHBondContact O-N 3.16Å; R108-V148 HydrophobicContact CG-CG2 4.39Å; T146-V148 HydrophobicContact CG2-CG2 4.28Å
149	I	98.8	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.9	-176.5	-47.2	174.2	0	0	0	108.9	T79 T80 L95 I102 L133 V147 Y151 P192	T79-I149 WeakPolarHBondContact CA-O 3.09Å; T80-I149 PolarHBondContact N-O 2.89Å; T80-I149 PolarHBondContact O-N 3.24Å; L95-I149 HydrophobicContact CD2-CD1 4.21Å; I102-I149 HydrophobicContact CG1-CG2 4.39Å; I102-I149 HydrophobicContact CG2-CG2 3.79Å; L133-I149 HydrophobicContact CD1-CD1 4.03Å; V147-I149 HydrophobicContact CG1-CD1 4.05Å; V147-I149 HydrophobicContact CG1-CG1 3.84Å; I149-Y151 HydrophobicContact CG2-CD1 4.39Å; I149-P192 HydrophobicContact CD1-CB 3.91Å; I149-P192 HydrophobicContact CD1-CG 4.4Å; I149-P192 HydrophobicContact CG2-CG 4.17Å
150	H	98.8	Very high	97.1	Very high	58 Å²	58	48.2 Å²	48.2	27%	0.269	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.6	172	-60.3	-81.3	0	0	0	109.4	T79 S103 R104	T79-H150 VanDerWaalsContact CG2-CE1 3.5Å; T79-H150 WeakPolarHBondContact CG2-CE1 3.48Å; T79-H150 WeakPolarHBondContact CG2-ND1 3.31Å; T79-H150 PolarHBondContact OG1-ND1 2.69Å; S103-H150 PolarHBondContact N-O 3.12Å; S103-H150 PolarHBondContact OG-O 2.87Å; S103-H150 VanDerWaalsContact OG-O 3.09Å; R104-H150 HydrophobicContact CB-CB 4.33Å; R104-H150 PolarHBondContact N-O 2.75Å; R104-H150 PolarHBondContact O-N 3.49Å
151	Y	98.8	Very high	97.3	Very high	6 Å²	6	44 Å²	44	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	167.3	-173.6	62.7	-84.8	0	0	0	112.1	I67 F76 G78 T80 L100 Q101 I149 A190 F191 P192	I67-Y151 VanDerWaalsContact CD1-OH 3.3Å; I67-Y151 WeakPolarHBondContact CD1-OH 3.22Å; F76-Y151 HydrophobicContact CE2-CE2 4.06Å; G78-Y151 VanDerWaalsContact CA-CZ 3.48Å; G78-Y151 PolarHBondContact N-O 2.91Å; G78-Y151 PolarHBondContact O-N 2.99Å; G78-Y151 VanDerWaalsContact O-N 3.09Å; T80-Y151 WeakPolarHBondContact OG1-CE1 3.46Å; L100-Y151 HydrophobicContact CB-CD2 4.28Å; L100-Y151 HydrophobicContact CD1-CD2 3.9Å; L100-Y151 HydrophobicContact CD1-CE2 3.94Å; L100-Y151 HydrophobicContact CD2-CD2 3.94Å; L100-Y151 HydrophobicContact CD2-CE2 4.14Å; L100-Y151 HydrophobicContact CG-CD2 4.27Å; Q101-Y151 CarbonylContact O-C 3.6Å; Q101-Y151 WeakPolarHBondContact O-CA 3.24Å; Q101-Y151 WeakPolarHBondContact O-CB 3.35Å; I149-Y151 HydrophobicContact CG2-CD1 4.39Å; Y151-A190 WeakPolarHBondContact CE2-O 3.47Å; Y151-A190 PolarHBondContact OH-O 2.81Å; Y151-F191 WeakPolarHBondContact OH-CA 3.42Å; Y151-F191 WeakPolarHBondContact OH-CB 3.26Å; Y151-P192 HydrophobicContact CD1-CG 4.1Å; Y151-P192 VanDerWaalsContact CE1-CD 3.47Å; Y151-P192 HydrophobicContact CE1-CG 4.36Å; Y151-P192 HydrophobicContact CG-CG 4.4Å
152	A	98.8	Very high	97.4	Very high	23 Å²	23	40.5 Å²	40.5	19%	0.19	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.8	172.7	0	0	0	0	0	110.6	F76 Q101	F76-A152 CarbonylContact O-C 3.39Å; F76-A152 WeakPolarHBondContact O-CA 3.5Å; Q101-A152 PolarHBondContact N-O 3.49Å; Q101-A152 PolarHBondContact O-N 2.75Å
153	G	98.3	Very high	97.7	Very high	9 Å²	9	37.9 Å²	37.9	9%	0.093	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	168.2	174.4	0	0	0	0	0	111.2	F76	F76-G153 WeakPolarHBondContact CD1-O 3.37Å; F76-G153 PolarHBondContact N-O 2.91Å; F76-G153 PolarHBondContact O-N 2.67Å
154	N	98.5	Very high	97.9	Very high	124 Å²	124	36.5 Å²	36.5	66%	0.663	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.7	167.5	-61.6	-23	0	0	0	108.1	L74 F76 S156	L74-N154 WeakPolarHBondContact O-CA 3.5Å; F76-N154 WeakPolarHBondContact CE1-O 3.21Å; N154-S156 PolarHBondContact O-N 2.91Å
155	L	98.5	Very high	98.1	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.031	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-57.3	133.4	168.9	-66.9	179.2	0	0	0	108.4	L74 F76 F162 K164 A178	L74-L155 HydrophobicContact CD2-CD1 4.16Å; L74-L155 PolarHBondContact O-N 2.88Å; F76-L155 HydrophobicContact CD1-CD2 4.06Å; L155-F162 WeakPolarHBondContact CA-O 3.4Å; L155-F162 HydrophobicContact CD2-CD1 3.5Å; L155-F162 HydrophobicContact CD2-CD2 4.22Å; L155-F162 HydrophobicContact CD2-CE1 3.5Å; L155-F162 HydrophobicContact CD2-CE2 4.21Å; L155-F162 HydrophobicContact CD2-CG 3.88Å; L155-F162 HydrophobicContact CD2-CZ 3.87Å; L155-K164 HydrophobicContact CB-CB 4.32Å; L155-K164 HydrophobicContact CD1-CB 4.49Å; L155-A178 HydrophobicContact CD1-CB 3.95Å; L155-A178 HydrophobicContact CD2-CB 4.04Å
156	S	98	Very high	98.1	Very high	21 Å²	21	34.8 Å²	34.8	15%	0.147	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-65	143	178.9	-166.5	0	0	0	0	111.1	N154 T158 H160 F162 Y163 K164	N154-S156 PolarHBondContact O-N 2.91Å; S156-T158 VanDerWaalsContact C-N 3.32Å; S156-T158 PolarHBondContact OG-N 2.96Å; S156-T158 VanDerWaalsContact OG-N 3.1Å; S156-T158 PolarHBondContact OG-OG1 3.32Å; S156-H160 WeakPolarHBondContact CB-O 3.48Å; S156-F162 PolarHBondContact N-O 3.1Å; S156-Y163 WeakPolarHBondContact O-CA 3.3Å; S156-Y163 WeakPolarHBondContact O-CB 3.28Å; S156-K164 PolarHBondContact O-N 3.2Å
157	E	96.8	Very high	98.1	Very high	131 Å²	131	33.5 Å²	33.5	61%	0.612	17%	0.173	S	C	*	.	S	Bend	trans	-91.9	1.4	168.7	-62.9	-70.1	148.4	0	0	111.4	K164	E157-K164 IonicContact OE1-NZ 2.85Å; E157-K164 PolarHBondContact OE1-NZ 3.46Å; E157-K164 IonicContact OE2-NZ 3.2Å; E157-K164 PolarHBondContact OE2-NZ 3.01Å
158	T	96.3	Very high	98.1	Very high	55 Å²	55	41.6 Å²	41.6	34%	0.337	20%	0.204	S	C	.	.	S	Bend	trans	-93	-179.7	168.9	72.8	0	0	0	0	110.5	S156 H160 Y163	S156-T158 VanDerWaalsContact C-N 3.32Å; S156-T158 PolarHBondContact OG-N 2.96Å; S156-T158 VanDerWaalsContact OG-N 3.1Å; S156-T158 PolarHBondContact OG-OG1 3.32Å; T158-H160 VanDerWaalsContact C-N 3.34Å; T158-H160 PolarHBondContact OG1-CD2 2.88Å; T158-H160 VanDerWaalsContact OG1-CD2 3.29Å; T158-H160 PolarHBondContact OG1-CE1 2.99Å; T158-H160 VanDerWaalsContact OG1-CE1 3.24Å; T158-H160 PolarHBondContact OG1-N 2.82Å; T158-H160 PolarHBondContact OG1-ND1 2.84Å; T158-H160 PolarHBondContact OG1-NE2 2.87Å; T158-H160 VanDerWaalsContact OG1-NE2 3.09Å; T158-H160 PolarHBondContact OG1-O 2.81Å; T158-Y163 WeakPolarHBondContact O-CB 3.39Å
159	F	96.1	Very high	98	Very high	92 Å²	92	42.2 Å²	42.2	40%	0.404	21%	0.208	S	C	.	.	S	Bend	trans	-94.1	23.2	176.9	-48.9	-69.2	0	0	0	113.7	Q181 D313 Q315	F159-Q181 WeakPolarHBondContact O-CB 3.17Å; F159-D313 HydrophobicContact CD1-CB 4.3Å; F159-D313 HydrophobicContact CE1-CB 4.1Å; F159-Q315 HydrophobicContact CB-CB 3.49Å; F159-Q315 VanDerWaalsContact CB-CB 3.49Å; F159-Q315 HydrophobicContact CD2-CB 3.99Å; F159-Q315 HydrophobicContact CG-CB 3.93Å
160	H	96.8	Very high	97.8	Very high	67 Å²	67	49.4 Å²	49.4	31%	0.31	24%	0.239	S	C	.	.	S	Bend	trans	-145	163.9	-179	59	-106.5	0	0	0	112.3	S156 T158 Q181 A186	S156-H160 WeakPolarHBondContact CB-O 3.48Å; T158-H160 VanDerWaalsContact C-N 3.34Å; T158-H160 PolarHBondContact OG1-CD2 2.88Å; T158-H160 VanDerWaalsContact OG1-CD2 3.29Å; T158-H160 PolarHBondContact OG1-CE1 2.99Å; T158-H160 VanDerWaalsContact OG1-CE1 3.24Å; T158-H160 PolarHBondContact OG1-N 2.82Å; T158-H160 PolarHBondContact OG1-ND1 2.84Å; T158-H160 PolarHBondContact OG1-NE2 2.87Å; T158-H160 VanDerWaalsContact OG1-NE2 3.09Å; T158-H160 PolarHBondContact OG1-O 2.81Å; H160-Q181 CarbonylContact C-O 3.56Å; H160-Q181 WeakPolarHBondContact CA-O 3.34Å; H160-A186 HydrophobicContact CB-CB 4.23Å
161	G	98.3	Very high	97.7	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.2	-149.2	-166.8	0	0	0	0	0	110.3	T180 Q181 F182	G161-T180 WeakPolarHBondContact O-CA 3.34Å; G161-Q181 PolarHBondContact N-O 2.91Å; G161-Q181 PolarHBondContact O-N 3.05Å; G161-Q181 VanDerWaalsContact O-N 3.07Å; G161-F182 WeakPolarHBondContact O-CE1 3.31Å
162	F	98.8	Very high	97.5	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	107.6	168.4	-176.9	-145.5	0	0	0	108.2	I67 A69 F76 L155 S156 A178 S179 T180 A190 F249 I251	I67-F162 HydrophobicContact CG2-CD1 4.49Å; I67-F162 HydrophobicContact CG2-CE1 3.81Å; I67-F162 HydrophobicContact CG2-CZ 4.37Å; A69-F162 HydrophobicContact CB-CE1 3.74Å; A69-F162 HydrophobicContact CB-CZ 3.75Å; F76-F162 HydrophobicContact CB-CD1 4.33Å; F76-F162 HydrophobicContact CB-CE1 3.99Å; F76-F162 AromaticContact CD1-CD1 3.79Å; F76-F162 HydrophobicContact CD1-CD1 3.79Å; F76-F162 HydrophobicContact CD1-CE1 4.27Å; F76-F162 HydrophobicContact CD2-CD1 4.03Å; F76-F162 HydrophobicContact CD2-CE1 4.36Å; F76-F162 AromaticContact CE1-CD1 4Å; F76-F162 HydrophobicContact CE1-CD1 4Å; F76-F162 HydrophobicContact CE2-CD1 4.22Å; F76-F162 AromaticContact CG-CD1 3.8Å; F76-F162 HydrophobicContact CG-CD1 3.8Å; F76-F162 AromaticContact CG-CE1 3.98Å; F76-F162 HydrophobicContact CG-CE1 3.98Å; F76-F162 HydrophobicContact CZ-CD1 4.21Å; L155-F162 WeakPolarHBondContact CA-O 3.4Å; L155-F162 HydrophobicContact CD2-CD1 3.5Å; L155-F162 HydrophobicContact CD2-CD2 4.22Å; L155-F162 HydrophobicContact CD2-CE1 3.5Å; L155-F162 HydrophobicContact CD2-CE2 4.21Å; L155-F162 HydrophobicContact CD2-CG 3.88Å; L155-F162 HydrophobicContact CD2-CZ 3.87Å; S156-F162 PolarHBondContact N-O 3.1Å; F162-A178 HydrophobicContact CD2-CB 4.41Å; F162-A178 HydrophobicContact CE2-CB 3.55Å; F162-A178 HydrophobicContact CZ-CB 3.77Å; F162-S179 WeakPolarHBondContact CD2-O 3.08Å; F162-T180 HydrophobicContact CB-CG2 4.36Å; F162-T180 HydrophobicContact CD2-CG2 3.7Å; F162-T180 HydrophobicContact CE2-CG2 4.42Å; F162-T180 HydrophobicContact CG-CG2 4.37Å; F162-A190 HydrophobicContact CB-CB 3.77Å; F162-F249 HydrophobicContact CD1-CE2 4.04Å; F162-F249 HydrophobicContact CD2-CD2 4.11Å; F162-F249 AromaticContact CD2-CE2 3.62Å; F162-F249 HydrophobicContact CD2-CE2 3.62Å; F162-F249 HydrophobicContact CE1-CE2 4.05Å; F162-F249 AromaticContact CE2-CD2 3.79Å; F162-F249 HydrophobicContact CE2-CD2 3.79Å; F162-F249 AromaticContact CE2-CE2 3.64Å; F162-F249 HydrophobicContact CE2-CE2 3.64Å; F162-F249 AromaticContact CG-CE2 3.83Å; F162-F249 HydrophobicContact CG-CE2 3.83Å; F162-F249 HydrophobicContact CZ-CD2 4.14Å; F162-F249 AromaticContact CZ-CE2 3.87Å; F162-F249 HydrophobicContact CZ-CE2 3.87Å; F162-I251 HydrophobicContact CZ-CD1 4.21Å
163	Y	98.8	Very high	97.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	160.1	-161.8	73.8	-85.7	0	0	0	113.1	S156 T158 A178 S179 Q181 D313 F314	S156-Y163 WeakPolarHBondContact O-CA 3.3Å; S156-Y163 WeakPolarHBondContact O-CB 3.28Å; T158-Y163 WeakPolarHBondContact O-CB 3.39Å; Y163-A178 CarbonylContact O-C 3.53Å; Y163-A178 VanDerWaalsContact O-CA 3.3Å; Y163-A178 WeakPolarHBondContact O-CA 3.21Å; Y163-S179 WeakPolarHBondContact CD1-O 3.16Å; Y163-S179 PolarHBondContact N-O 2.89Å; Y163-S179 PolarHBondContact O-N 3.34Å; Y163-Q181 HydrophobicContact CE1-CB 3.89Å; Y163-D313 WeakPolarHBondContact CE2-O 3.23Å; Y163-D313 PolarHBondContact OH-O 2.86Å; Y163-F314 VanDerWaalsContact OH-CD2 3.3Å; Y163-F314 WeakPolarHBondContact OH-CD2 3.29Å
164	K	98.4	Very high	97.5	Very high	45 Å²	45	62.6 Å²	62.6	20%	0.196	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.1	177.6	-178.2	-165	71.6	-157.9	0	110.3	L74 L155 S156 E157 T166 I176	L74-K164 HydrophobicContact CD1-CD 3.76Å; L74-K164 HydrophobicContact CD2-CD 3.62Å; L74-K164 HydrophobicContact CD2-CG 4.07Å; L74-K164 HydrophobicContact CG-CD 4.33Å; L155-K164 HydrophobicContact CB-CB 4.32Å; L155-K164 HydrophobicContact CD1-CB 4.49Å; S156-K164 PolarHBondContact O-N 3.2Å; E157-K164 IonicContact OE1-NZ 2.85Å; E157-K164 PolarHBondContact OE1-NZ 3.46Å; E157-K164 IonicContact OE2-NZ 3.2Å; E157-K164 PolarHBondContact OE2-NZ 3.01Å; K164-T166 HydrophobicContact CD-CG2 4.39Å; K164-T166 HydrophobicContact CG-CG2 4.41Å; K164-I176 HydrophobicContact CD-CG2 4.21Å; K164-I176 HydrophobicContact CG-CG2 3.7Å
165	S	98.4	Very high	97.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	155.8	165.4	170.5	0	0	0	0	109.9	L177 D313	S165-L177 PolarHBondContact N-O 2.9Å; S165-L177 PolarHBondContact O-N 3.44Å; S165-L177 VanDerWaalsContact O-O 3.09Å; S165-D313 WeakPolarHBondContact CA-OD2 3.42Å; S165-D313 VanDerWaalsContact CB-OD2 3.29Å; S165-D313 WeakPolarHBondContact CB-OD2 3.26Å; S165-D313 WeakPolarHBondContact OG-CB 3.32Å; S165-D313 PolarHBondContact OG-N 3.13Å; S165-D313 VanDerWaalsContact OG-N 3.14Å; S165-D313 PolarHBondContact OG-OD2 2.9Å
166	T	98.3	Very high	97.4	Very high	44 Å²	44	62.2 Å²	62.2	27%	0.27	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.3	-176.9	68.5	0	0	0	0	111.8	K164 R175 I176 P312 D313	K164-T166 HydrophobicContact CD-CG2 4.39Å; K164-T166 HydrophobicContact CG-CG2 4.41Å; T166-R175 VanDerWaalsContact CA-O 3.24Å; T166-R175 WeakPolarHBondContact CA-O 3.27Å; T166-R175 WeakPolarHBondContact CB-O 3.49Å; T166-I176 HydrophobicContact CG2-CG1 4.2Å; T166-P312 WeakPolarHBondContact O-CB 3.25Å; T166-D313 PolarHBondContact N-OD2 3.36Å
167	Y	98.4	Very high	97.5	Very high	17 Å²	17	61.2 Å²	61.2	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	168.8	170.4	72	-88.3	0	0	0	111.1	T169 R175 L177 D253 V272 P312	Y167-T169 HydrophobicContact CE2-CG2 4.29Å; Y167-R175 HydrophobicContact CD1-CB 3.8Å; Y167-R175 HydrophobicContact CD2-CB 4.31Å; Y167-R175 HydrophobicContact CE1-CB 3.38Å; Y167-R175 HydrophobicContact CE1-CG 4.16Å; Y167-R175 HydrophobicContact CE2-CB 3.93Å; Y167-R175 HydrophobicContact CE2-CG 4.01Å; Y167-R175 HydrophobicContact CG-CB 4.25Å; Y167-R175 VanDerWaalsContact CZ-CB 3.46Å; Y167-R175 PolarHBondContact N-O 3.01Å; Y167-R175 PolarHBondContact O-N 2.91Å; Y167-L177 HydrophobicContact CD1-CD2 3.98Å; Y167-L177 HydrophobicContact CE1-CD2 4.41Å; Y167-D253 WeakPolarHBondContact CE1-OD1 3.26Å; Y167-D253 VanDerWaalsContact OH-CG 3.22Å; Y167-D253 PolarHBondContact OH-OD1 3.31Å; Y167-D253 PolarHBondContact OH-OD2 2.99Å; Y167-D253 VanDerWaalsContact OH-OD2 3.12Å; Y167-V272 HydrophobicContact CD1-CG1 3.53Å; Y167-V272 HydrophobicContact CD2-CB 4.07Å; Y167-V272 HydrophobicContact CD2-CG1 3.73Å; Y167-V272 HydrophobicContact CE1-CB 4.44Å; Y167-V272 HydrophobicContact CE1-CG1 3.67Å; Y167-V272 HydrophobicContact CE2-CB 3.92Å; Y167-V272 HydrophobicContact CE2-CG1 3.87Å; Y167-V272 HydrophobicContact CG-CB 4.4Å; Y167-V272 HydrophobicContact CG-CG1 3.56Å; Y167-P312 HydrophobicContact CD1-CG 4.38Å; Y167-P312 HydrophobicContact CG-CG 4.49Å
168	R	97.8	Very high	97.6	Very high	170 Å²	170	55 Å²	55	64%	0.642	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.3	173.8	-68.8	-175.3	177.3	-83.1	-1.1	111.1	G172 E173 L174	R168-G172 PolarHBondContact NH1-O 2.96Å; R168-E173 VanDerWaalsContact CA-O 3.26Å; R168-E173 WeakPolarHBondContact CA-O 3.35Å; R168-L174 HydrophobicContact CG-CD1 4.34Å
169	T	97.1	Very high	97.7	Very high	15 Å²	15	52.3 Å²	52.3	9%	0.092	25%	0.246	C	C	.	.			trans	-72.6	169.5	169.9	77.4	0	0	0	0	110.8	Y167 E171 G172 E173 R175 D274	Y167-T169 HydrophobicContact CE2-CG2 4.29Å; T169-E171 VanDerWaalsContact CB-OE2 3.27Å; T169-E171 WeakPolarHBondContact CB-OE2 3.4Å; T169-E171 PolarHBondContact O-N 2.96Å; T169-E171 PolarHBondContact OG1-N 3.29Å; T169-E171 PolarHBondContact OG1-OE2 3.06Å; T169-G172 WeakPolarHBondContact O-CA 3.33Å; T169-G172 PolarHBondContact O-N 2.88Å; T169-E173 HydrophobicContact CG2-CB 4.08Å; T169-E173 PolarHBondContact N-O 2.88Å; T169-E173 PolarHBondContact OG1-N 2.86Å; T169-R175 HydrophobicContact CG2-CG 4.08Å; T169-D274 VanDerWaalsContact CA-OD2 3.31Å; T169-D274 WeakPolarHBondContact CA-OD2 3.33Å
170	K	95	Very high	97.8	Very high	152 Å²	152	48 Å²	48	66%	0.661	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.8	172.1	-74.8	170.7	-172.6	127.9	0	113.7	G172 D274	K170-G172 VanDerWaalsContact C-N 3.27Å; K170-G172 PolarHBondContact O-N 2.91Å; K170-D274 WeakPolarHBondContact CD-OD1 3.22Å; K170-D274 WeakPolarHBondContact CE-OD1 3.5Å; K170-D274 HydrophobicContact CG-CB 4.5Å; K170-D274 PolarHBondContact N-OD2 3.02Å; K170-D274 PolarHBondContact NZ-O 3.05Å; K170-D274 IonicContact NZ-OD1 3.93Å; K170-D274 PolarHBondContact NZ-OD1 3.1Å
171	E	95.8	Very high	97.9	Very high	155 Å²	155	45.6 Å²	45.6	72%	0.724	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-6.1	176.7	-54.6	67.9	-144.5	0	0	112.8	T169	T169-E171 VanDerWaalsContact CB-OE2 3.27Å; T169-E171 WeakPolarHBondContact CB-OE2 3.4Å; T169-E171 PolarHBondContact O-N 2.96Å; T169-E171 PolarHBondContact OG1-N 3.29Å; T169-E171 PolarHBondContact OG1-OE2 3.06Å
172	G	95.4	Very high	97.9	Very high	33 Å²	33	45.6 Å²	45.6	34%	0.34	22%	0.215	S	C	.	.			trans	88.5	3.2	179.2	0	0	0	0	0	115.1	R168 T169 K170	R168-G172 PolarHBondContact NH1-O 2.96Å; T169-G172 WeakPolarHBondContact O-CA 3.33Å; T169-G172 PolarHBondContact O-N 2.88Å; K170-G172 VanDerWaalsContact C-N 3.27Å; K170-G172 PolarHBondContact O-N 2.91Å
173	E	97.4	Very high	97.9	Very high	96 Å²	96	46.5 Å²	46.5	45%	0.449	22%	0.22	S	C	.	.			trans	-61.1	134.1	176.4	-165.8	-163.8	151.8	0	0	110.3	R168 T169 R175	R168-E173 VanDerWaalsContact CA-O 3.26Å; R168-E173 WeakPolarHBondContact CA-O 3.35Å; T169-E173 HydrophobicContact CG2-CB 4.08Å; T169-E173 PolarHBondContact N-O 2.88Å; T169-E173 PolarHBondContact OG1-N 2.86Å; E173-R175 VanDerWaalsContact CD-NE 3.27Å; E173-R175 IonicContact OE1-CZ 2.61Å; E173-R175 IonicContact OE1-NE 2.72Å; E173-R175 PolarHBondContact OE1-NE 3.46Å; E173-R175 IonicContact OE1-NH2 2.71Å; E173-R175 PolarHBondContact OE1-NH2 3.26Å; E173-R175 IonicContact OE2-CZ 3.67Å; E173-R175 IonicContact OE2-NE 3.15Å; E173-R175 PolarHBondContact OE2-NE 2.9Å; E173-R175 IonicContact OE2-NH2 2.69Å; E173-R175 PolarHBondContact OE2-NH2 3.4Å
174	L	97.9	Very high	97.8	Very high	89 Å²	89	47.1 Å²	47.1	47%	0.466	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	116	175.4	-176.5	70.9	0	0	0	109.8	R168	R168-L174 HydrophobicContact CG-CD1 4.34Å
175	R	98.2	Very high	97.8	Very high	70 Å²	70	45.4 Å²	45.4	26%	0.264	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	151.2	171.9	-67.9	-71.2	174.7	75.9	13	110.4	T166 Y167 T169 E173 D253	T166-R175 VanDerWaalsContact CA-O 3.24Å; T166-R175 WeakPolarHBondContact CA-O 3.27Å; T166-R175 WeakPolarHBondContact CB-O 3.49Å; Y167-R175 HydrophobicContact CD1-CB 3.8Å; Y167-R175 HydrophobicContact CD2-CB 4.31Å; Y167-R175 HydrophobicContact CE1-CB 3.38Å; Y167-R175 HydrophobicContact CE1-CG 4.16Å; Y167-R175 HydrophobicContact CE2-CB 3.93Å; Y167-R175 HydrophobicContact CE2-CG 4.01Å; Y167-R175 HydrophobicContact CG-CB 4.25Å; Y167-R175 VanDerWaalsContact CZ-CB 3.46Å; Y167-R175 PolarHBondContact N-O 3.01Å; Y167-R175 PolarHBondContact O-N 2.91Å; T169-R175 HydrophobicContact CG2-CG 4.08Å; E173-R175 VanDerWaalsContact CD-NE 3.27Å; E173-R175 IonicContact OE1-CZ 2.61Å; E173-R175 IonicContact OE1-NE 2.72Å; E173-R175 PolarHBondContact OE1-NE 3.46Å; E173-R175 IonicContact OE1-NH2 2.71Å; E173-R175 PolarHBondContact OE1-NH2 3.26Å; E173-R175 IonicContact OE2-CZ 3.67Å; E173-R175 IonicContact OE2-NE 3.15Å; E173-R175 PolarHBondContact OE2-NE 2.9Å; E173-R175 IonicContact OE2-NH2 2.69Å; E173-R175 PolarHBondContact OE2-NH2 3.4Å; R175-D253 WeakPolarHBondContact CD-OD2 3.26Å; R175-D253 IonicContact CZ-OD2 3.17Å; R175-D253 IonicContact NE-OD2 3.47Å; R175-D253 IonicContact NH1-OD2 3.3Å; R175-D253 PolarHBondContact NH1-OD2 3.06Å
176	I	98.6	Very high	97.9	Very high	51 Å²	51	45.7 Å²	45.7	26%	0.262	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.1	-179.7	-57	-178.9	0	0	0	107.7	L71 L74 K164 T166	L71-I176 HydrophobicContact CB-CG2 4.49Å; L74-I176 HydrophobicContact CD2-CG2 4.28Å; K164-I176 HydrophobicContact CD-CG2 4.21Å; K164-I176 HydrophobicContact CG-CG2 3.7Å; T166-I176 HydrophobicContact CG2-CG1 4.2Å
177	L	98.8	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	164.2	166.2	64.3	126.7	0	0	0	110.2	S165 Y167 I250 I251 F254 I311 P312	S165-L177 PolarHBondContact N-O 2.9Å; S165-L177 PolarHBondContact O-N 3.44Å; S165-L177 VanDerWaalsContact O-O 3.09Å; Y167-L177 HydrophobicContact CD1-CD2 3.98Å; Y167-L177 HydrophobicContact CE1-CD2 4.41Å; L177-I250 HydrophobicContact CD1-CG2 4.38Å; L177-I251 CarbonylContact C-O 3.58Å; L177-I251 VanDerWaalsContact CA-O 3.31Å; L177-I251 WeakPolarHBondContact CA-O 3.3Å; L177-I251 WeakPolarHBondContact CB-O 3.39Å; L177-F254 HydrophobicContact CD1-CZ 3.91Å; L177-F254 HydrophobicContact CD2-CE1 4Å; L177-F254 HydrophobicContact CD2-CZ 4.09Å; L177-I311 HydrophobicContact CD1-CG2 4.38Å; L177-P312 HydrophobicContact CD2-CG 4.05Å
178	A	98.8	Very high	97.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133	169.3	0	0	0	0	0	109.5	L71 L155 F162 Y163 I250 I251	L71-A178 HydrophobicContact CD1-CB 4.2Å; L71-A178 HydrophobicContact CG-CB 4.44Å; L155-A178 HydrophobicContact CD1-CB 3.95Å; L155-A178 HydrophobicContact CD2-CB 4.04Å; F162-A178 HydrophobicContact CD2-CB 4.41Å; F162-A178 HydrophobicContact CE2-CB 3.55Å; F162-A178 HydrophobicContact CZ-CB 3.77Å; Y163-A178 CarbonylContact O-C 3.53Å; Y163-A178 VanDerWaalsContact O-CA 3.3Å; Y163-A178 WeakPolarHBondContact O-CA 3.21Å; A178-I250 CarbonylContact O-C 3.58Å; A178-I250 WeakPolarHBondContact O-CA 3.22Å; A178-I251 PolarHBondContact N-O 3.45Å; A178-I251 PolarHBondContact O-N 2.93Å
179	S	98.8	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	167.3	-176.2	-168.1	0	0	0	0	110.8	F162 Y163	F162-S179 WeakPolarHBondContact CD2-O 3.08Å; Y163-S179 WeakPolarHBondContact CD1-O 3.16Å; Y163-S179 PolarHBondContact N-O 2.89Å; Y163-S179 PolarHBondContact O-N 3.34Å
180	T	98.8	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131	-177.2	49	0	0	0	0	111.3	G161 F162 F182 A248 F249	G161-T180 WeakPolarHBondContact O-CA 3.34Å; F162-T180 HydrophobicContact CB-CG2 4.36Å; F162-T180 HydrophobicContact CD2-CG2 3.7Å; F162-T180 HydrophobicContact CE2-CG2 4.42Å; F162-T180 HydrophobicContact CG-CG2 4.37Å; T180-F182 HydrophobicContact CG2-CE1 3.72Å; T180-F182 HydrophobicContact CG2-CE2 4.13Å; T180-F182 HydrophobicContact CG2-CZ 3.36Å; T180-A248 VanDerWaalsContact OG1-CA 3.28Å; T180-A248 WeakPolarHBondContact OG1-CA 3.28Å; T180-F249 HydrophobicContact CG2-CD1 4.25Å; T180-F249 HydrophobicContact CG2-CD2 3.66Å; T180-F249 HydrophobicContact CG2-CE1 4.13Å; T180-F249 HydrophobicContact CG2-CE2 3.54Å; T180-F249 HydrophobicContact CG2-CG 4.03Å; T180-F249 HydrophobicContact CG2-CZ 3.79Å; T180-F249 WeakPolarHBondContact CG2-O 3.16Å; T180-F249 PolarHBondContact OG1-N 3.47Å; T180-F249 PolarHBondContact OG1-O 2.96Å
181	Q	98.5	Very high	98.2	Very high	17 Å²	17	28.6 Å²	28.6	8%	0.079	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	108.9	166.2	171.2	59.2	22.9	0	0	107.5	F159 H160 G161 Y163 M319	F159-Q181 WeakPolarHBondContact O-CB 3.17Å; H160-Q181 CarbonylContact C-O 3.56Å; H160-Q181 WeakPolarHBondContact CA-O 3.34Å; G161-Q181 PolarHBondContact N-O 2.91Å; G161-Q181 PolarHBondContact O-N 3.05Å; G161-Q181 VanDerWaalsContact O-N 3.07Å; Y163-Q181 HydrophobicContact CE1-CB 3.89Å; Q181-M319 PolarHBondContact NE2-SD 3.34Å; Q181-M319 VanDerWaalsContact OE1-CB 3.25Å
182	F	98.8	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.			trans	-109.7	-18.5	-169.9	-66.4	-20.1	0	0	0	114.8	G161 T180 P184 T185 A186 A187 A190 F191 V247 F249	G161-F182 WeakPolarHBondContact O-CE1 3.31Å; T180-F182 HydrophobicContact CG2-CE1 3.72Å; T180-F182 HydrophobicContact CG2-CE2 4.13Å; T180-F182 HydrophobicContact CG2-CZ 3.36Å; F182-P184 CarbonylContact O-C 3.59Å; F182-T185 PolarHBondContact O-N 2.87Å; F182-A186 PolarHBondContact O-N 3.06Å; F182-A187 HydrophobicContact CB-CB 3.96Å; F182-A187 HydrophobicContact CD1-CB 4.46Å; F182-A187 HydrophobicContact CD2-CB 3.77Å; F182-A187 HydrophobicContact CE2-CB 4.41Å; F182-A187 HydrophobicContact CG-CB 3.82Å; F182-A190 HydrophobicContact CE1-CB 3.47Å; F182-A190 VanDerWaalsContact CE1-CB 3.47Å; F182-A190 HydrophobicContact CZ-CB 3.41Å; F182-A190 VanDerWaalsContact CZ-CB 3.41Å; F182-F191 HydrophobicContact CD2-CE1 4.4Å; F182-F191 AromaticContact CE2-CE1 3.76Å; F182-F191 HydrophobicContact CE2-CE1 3.76Å; F182-F191 HydrophobicContact CZ-CE1 4.24Å; F182-V247 HydrophobicContact CD2-CB 4.09Å; F182-V247 WeakPolarHBondContact CD2-O 3.33Å; F182-V247 HydrophobicContact CE2-CB 3.94Å; F182-V247 HydrophobicContact CE2-CG1 3.99Å; F182-V247 WeakPolarHBondContact CE2-O 3.49Å; F182-F249 HydrophobicContact CE2-CE1 4.32Å; F182-F249 HydrophobicContact CZ-CE1 4.13Å; F182-F249 HydrophobicContact CZ-CZ 4.07Å
183	E	98.2	Very high	98.5	Very high	22 Å²	22	19.7 Å²	19.7	10%	0.103	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	137.4	177.1	-158.9	179.4	-145.5	0	0	111.5	Y245 M319 W369 F433	E183-Y245 HydrophobicContact CB-CD2 3.86Å; E183-Y245 HydrophobicContact CG-CD2 3.69Å; E183-Y245 HydrophobicContact CG-CE2 4.19Å; E183-Y245 HydrophobicContact CG-CG 4.31Å; E183-Y245 WeakPolarHBondContact OE1-CE2 3.2Å; E183-M319 HydrophobicContact CB-CE 3.72Å; E183-M319 HydrophobicContact CB-SD 3.51Å; E183-M319 VanDerWaalsContact CB-SD 3.51Å; E183-M319 HydrophobicContact CG-CE 4.41Å; E183-W369 HydrophobicContact CG-CH2 3.78Å; E183-W369 HydrophobicContact CG-CZ3 3.95Å; E183-W369 WeakPolarHBondContact OE1-CZ3 3.35Å; E183-F433 HydrophobicContact CG-CE1 4.28Å; E183-F433 HydrophobicContact CG-CZ 3.85Å; E183-F433 WeakPolarHBondContact OE2-CE1 3.5Å
184	P	97.6	Very high	98.6	Very high	13 Å²	13	15.1 Å²	15.1	8%	0.084	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.5	-28.4	-4.9	31.7	-33.8	0	0	0	114.9	F182 W369 I429 R430 F433	F182-P184 CarbonylContact O-C 3.59Å; P184-W369 HydrophobicContact CB-CD2 4.15Å; P184-W369 HydrophobicContact CB-CE3 4.02Å; P184-W369 HydrophobicContact CB-CH2 3.68Å; P184-W369 HydrophobicContact CB-CZ2 3.75Å; P184-W369 HydrophobicContact CB-CZ3 3.78Å; P184-W369 WeakPolarHBondContact O-CZ2 3.45Å; P184-I429 HydrophobicContact CB-CG2 3.47Å; P184-I429 VanDerWaalsContact CB-CG2 3.47Å; P184-I429 HydrophobicContact CG-CG2 3.64Å; P184-R430 HydrophobicContact CG-CG 3.82Å; P184-F433 HydrophobicContact CB-CE2 4.01Å; P184-F433 HydrophobicContact CB-CZ 4.21Å; P184-F433 HydrophobicContact CG-CE2 4.15Å
185	T	98.4	Very high	98.6	Very high	9 Å²	9	11 Å²	11	6%	0.055	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.8	36.5	-166.3	66.9	0	0	0	0	113	F182 R188 I429	F182-T185 PolarHBondContact O-N 2.87Å; T185-R188 WeakPolarHBondContact O-CD 3.4Å; T185-R188 VanDerWaalsContact O-CG 3.29Å; T185-R188 WeakPolarHBondContact O-CG 3.39Å; T185-R188 PolarHBondContact O-NE 3.14Å; T185-R188 VanDerWaalsContact O-NE 3.11Å; T185-I429 HydrophobicContact CG2-CD1 4.02Å
186	A	98.8	Very high	98.7	Very high	7 Å²	7	7.8 Å²	7.8	6%	0.058	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-0.2	-174.2	0	0	0	0	0	114.6	H160 F182 R188 M189	H160-A186 HydrophobicContact CB-CB 4.23Å; F182-A186 PolarHBondContact O-N 3.06Å; A186-R188 PolarHBondContact O-N 3.35Å; A186-M189 HydrophobicContact CB-SD 4.07Å; A186-M189 WeakPolarHBondContact O-CB 3.41Å; A186-M189 PolarHBondContact O-N 2.89Å
187	A	98.9	Very high	98.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	G	3₁₀ helix	trans	-61.2	-36.7	170.7	0	0	0	0	0	111.3	F182 M189 A190 F191 D195	F182-A187 HydrophobicContact CB-CB 3.96Å; F182-A187 HydrophobicContact CD1-CB 4.46Å; F182-A187 HydrophobicContact CD2-CB 3.77Å; F182-A187 HydrophobicContact CE2-CB 4.41Å; F182-A187 HydrophobicContact CG-CB 3.82Å; A187-M189 PolarHBondContact O-N 3.49Å; A187-A190 PolarHBondContact O-N 3.16Å; A187-F191 HydrophobicContact CB-CE1 4.04Å; A187-F191 HydrophobicContact CB-CZ 3.97Å; A187-F191 PolarHBondContact O-N 3.19Å; A187-D195 WeakPolarHBondContact CB-OD1 3.49Å
188	R	98.8	Very high	98.7	Very high	8 Å²	8	7.2 Å²	7.2	3%	0.03	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-54.2	-14.7	170.1	67.6	-172.6	67.7	-173.4	-5.1	115.7	H96 S97 H98 E129 T185 A186 F191 D195	H96-R188 HydrophobicContact CB-CB 3.68Å; H96-R188 HydrophobicContact CB-CG 4.49Å; H96-R188 PolarHBondContact CD2-NH1 2.86Å; H96-R188 VanDerWaalsContact CD2-NH1 3.34Å; H96-R188 PolarHBondContact CE1-NH2 2.96Å; H96-R188 VanDerWaalsContact CE1-NH2 3.29Å; H96-R188 VanDerWaalsContact CG-CZ 3.48Å; H96-R188 PolarHBondContact ND1-NH2 3.33Å; S97-R188 WeakPolarHBondContact CA-O 3.47Å; H98-R188 HydrophobicContact CB-CG 4.1Å; H98-R188 PolarHBondContact N-O 2.97Å; E129-R188 WeakPolarHBondContact OE2-CD 3.25Å; E129-R188 IonicContact OE2-CZ 3.49Å; E129-R188 IonicContact OE2-NE 2.67Å; E129-R188 IonicContact OE2-NH1 3.56Å; E129-R188 PolarHBondContact OE2-NH1 3.24Å; T185-R188 WeakPolarHBondContact O-CD 3.4Å; T185-R188 VanDerWaalsContact O-CG 3.29Å; T185-R188 WeakPolarHBondContact O-CG 3.39Å; T185-R188 PolarHBondContact O-NE 3.14Å; T185-R188 VanDerWaalsContact O-NE 3.11Å; A186-R188 PolarHBondContact O-N 3.35Å; R188-F191 WeakPolarHBondContact CA-O 3.49Å; R188-D195 HydrophobicContact CB-CB 4.15Å; R188-D195 WeakPolarHBondContact CB-OD2 3.29Å; R188-D195 WeakPolarHBondContact CG-OD2 2.92Å; R188-D195 IonicContact CZ-OD2 3.26Å; R188-D195 PolarHBondContact N-OD2 3.05Å; R188-D195 VanDerWaalsContact N-OD2 3.15Å; R188-D195 IonicContact NE-OD2 3.6Å; R188-D195 PolarHBondContact NE-OD2 3.21Å; R188-D195 PolarHBondContact NH2-O 3.39Å; R188-D195 IonicContact NH2-OD2 3.88Å
189	M	98.8	Very high	98.7	Very high	31 Å²	31	8 Å²	8	15%	0.153	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-92.4	-8.8	175.7	-61.4	174.2	65.1	0	0	113.5	H98 L100 A186 A187	H98-M189 HydrophobicContact CB-CG 3.97Å; H98-M189 WeakPolarHBondContact O-CA 3.42Å; L100-M189 WeakPolarHBondContact CD2-O 3.24Å; A186-M189 HydrophobicContact CB-SD 4.07Å; A186-M189 WeakPolarHBondContact O-CB 3.41Å; A186-M189 PolarHBondContact O-N 2.89Å; A187-M189 PolarHBondContact O-N 3.49Å
190	A	98.8	Very high	98.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-31.2	178.4	0	0	0	0	0	112.5	Y151 F162 F182 A187 F249	Y151-A190 WeakPolarHBondContact CE2-O 3.47Å; Y151-A190 PolarHBondContact OH-O 2.81Å; F162-A190 HydrophobicContact CB-CB 3.77Å; F182-A190 HydrophobicContact CE1-CB 3.47Å; F182-A190 VanDerWaalsContact CE1-CB 3.47Å; F182-A190 HydrophobicContact CZ-CB 3.41Å; F182-A190 VanDerWaalsContact CZ-CB 3.41Å; A187-A190 PolarHBondContact O-N 3.16Å; A190-F249 HydrophobicContact CB-CZ 4.3Å
191	F	98.9	Very high	98.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	-153.3	142	173.3	58.3	-81.8	0	0	0	111.5	L65 Y151 F182 A187 R188 C193 F203 V247	L65-F191 HydrophobicContact CD1-CD1 4.02Å; L65-F191 HydrophobicContact CD1-CD2 4.03Å; L65-F191 HydrophobicContact CD1-CE1 3.98Å; L65-F191 HydrophobicContact CD1-CE2 3.97Å; L65-F191 HydrophobicContact CD1-CG 4.07Å; L65-F191 HydrophobicContact CD1-CZ 3.96Å; L65-F191 HydrophobicContact CD2-CB 4.19Å; L65-F191 HydrophobicContact CD2-CD2 3.74Å; L65-F191 HydrophobicContact CD2-CE2 4.31Å; L65-F191 HydrophobicContact CD2-CG 3.99Å; Y151-F191 WeakPolarHBondContact OH-CA 3.42Å; Y151-F191 WeakPolarHBondContact OH-CB 3.26Å; F182-F191 HydrophobicContact CD2-CE1 4.4Å; F182-F191 AromaticContact CE2-CE1 3.76Å; F182-F191 HydrophobicContact CE2-CE1 3.76Å; F182-F191 HydrophobicContact CZ-CE1 4.24Å; A187-F191 HydrophobicContact CB-CE1 4.04Å; A187-F191 HydrophobicContact CB-CZ 3.97Å; A187-F191 PolarHBondContact O-N 3.19Å; R188-F191 WeakPolarHBondContact CA-O 3.49Å; F191-C193 HydrophobicContact CD2-CB 3.63Å; F191-C193 HydrophobicContact CE2-CB 3.49Å; F191-C193 VanDerWaalsContact CE2-CB 3.49Å; F191-C193 PolarHBondContact O-N 2.83Å; F191-C193 PolarHBondContact O-SG 2.95Å; F191-F203 HydrophobicContact CE2-CE1 4.13Å; F191-F203 HydrophobicContact CZ-CE1 4.29Å; F191-V247 HydrophobicContact CE1-CB 4.23Å; F191-V247 HydrophobicContact CE1-CG1 3.99Å; F191-V247 HydrophobicContact CZ-CB 4.15Å; F191-V247 HydrophobicContact CZ-CG1 4.22Å; F191-V247 HydrophobicContact CZ-CG2 3.99Å
192	P	98.9	Very high	98.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.053	C	C	.	.			trans	-65.7	124.1	174.9	-19.5	33.5	0	0	0	110.6	L95 H96 L100 I131 I149 Y151	L95-P192 HydrophobicContact CD1-CB 3.57Å; H96-P192 CarbonylContact O-C 3.54Å; H96-P192 VanDerWaalsContact O-CA 3.32Å; H96-P192 WeakPolarHBondContact O-CA 3.4Å; L100-P192 HydrophobicContact CD1-CG 3.98Å; I131-P192 HydrophobicContact CD1-CB 4.37Å; I149-P192 HydrophobicContact CD1-CB 3.91Å; I149-P192 HydrophobicContact CD1-CG 4.4Å; I149-P192 HydrophobicContact CG2-CG 4.17Å; Y151-P192 HydrophobicContact CD1-CG 4.1Å; Y151-P192 VanDerWaalsContact CE1-CD 3.47Å; Y151-P192 HydrophobicContact CE1-CG 4.36Å; Y151-P192 HydrophobicContact CG-CG 4.4Å
193	C	98.9	Very high	98.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-154.4	167.5	-173.7	54	0	0	0	0	113.9	Y63 H96 F191 D195 T244	Y63-C193 HydrophobicContact CE1-CB 3.81Å; H96-C193 WeakPolarHBondContact CA-O 3.42Å; H96-C193 WeakPolarHBondContact CB-O 3.3Å; H96-C193 PolarHBondContact N-O 2.81Å; H96-C193 PolarHBondContact O-N 2.83Å; F191-C193 HydrophobicContact CD2-CB 3.63Å; F191-C193 HydrophobicContact CE2-CB 3.49Å; F191-C193 VanDerWaalsContact CE2-CB 3.49Å; F191-C193 PolarHBondContact O-N 2.83Å; F191-C193 PolarHBondContact O-SG 2.95Å; C193-D195 PolarHBondContact O-N 2.8Å; C193-T244 HydrophobicContact CB-CG2 4.04Å
194	F	98.9	Very high	98.7	Very high	1 Å²	1	8.9 Å²	8.9	0%	0.004	6%	0.057	C	C	.	.			trans	-77.6	71	170.9	-65.1	-96.8	0	0	0	109.4	L54 V58 P60 Y63 V82 I84 I93 I94 L95 E196 F199	L54-F194 HydrophobicContact CD1-CB 4.02Å; L54-F194 HydrophobicContact CD1-CD1 3.95Å; L54-F194 HydrophobicContact CD1-CG 4.39Å; V58-F194 HydrophobicContact CB-CE1 4.13Å; V58-F194 HydrophobicContact CB-CZ 4.32Å; V58-F194 HydrophobicContact CG1-CE1 4.05Å; V58-F194 HydrophobicContact CG1-CZ 3.72Å; P60-F194 HydrophobicContact CB-CD2 3.83Å; P60-F194 HydrophobicContact CB-CE2 4.26Å; P60-F194 HydrophobicContact CB-CG 4.5Å; P60-F194 HydrophobicContact CG-CB 4.01Å; P60-F194 HydrophobicContact CG-CD2 3.84Å; P60-F194 HydrophobicContact CG-CG 4.01Å; Y63-F194 WeakPolarHBondContact OH-CD2 3.18Å; Y63-F194 PolarHBondContact OH-N 3.18Å; V82-F194 HydrophobicContact CG2-CE2 4.48Å; I84-F194 HydrophobicContact CG2-CE2 3.79Å; I84-F194 HydrophobicContact CG2-CZ 4.12Å; I93-F194 HydrophobicContact CG2-CZ 3.87Å; I94-F194 WeakPolarHBondContact O-CE1 3.4Å; L95-F194 HydrophobicContact CB-CD1 4.38Å; L95-F194 HydrophobicContact CB-CD2 4.44Å; L95-F194 HydrophobicContact CB-CE1 4.34Å; L95-F194 HydrophobicContact CB-CE2 4.41Å; L95-F194 HydrophobicContact CB-CG 4.42Å; L95-F194 HydrophobicContact CB-CZ 4.35Å; L95-F194 HydrophobicContact CD2-CE2 4.29Å; L95-F194 HydrophobicContact CD2-CZ 4.5Å; F194-E196 VanDerWaalsContact C-N 3.27Å; F194-E196 PolarHBondContact O-N 2.91Å; F194-F199 HydrophobicContact CB-CB 3.91Å; F194-F199 HydrophobicContact CB-CD2 3.92Å; F194-F199 HydrophobicContact CB-CG 3.88Å
195	D	98.8	Very high	98.8	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.005	5%	0.053	C	C	.	.			trans	-78.3	65	-165	-161.7	24	0	0	0	114	H96 A187 R188 C193 T244	H96-D195 HydrophobicContact CB-CB 3.76Å; H96-D195 PolarHBondContact ND1-N 2.87Å; H96-D195 PolarHBondContact ND1-O 3.35Å; A187-D195 WeakPolarHBondContact CB-OD1 3.49Å; R188-D195 HydrophobicContact CB-CB 4.15Å; R188-D195 WeakPolarHBondContact CB-OD2 3.29Å; R188-D195 WeakPolarHBondContact CG-OD2 2.92Å; R188-D195 IonicContact CZ-OD2 3.26Å; R188-D195 PolarHBondContact N-OD2 3.05Å; R188-D195 VanDerWaalsContact N-OD2 3.15Å; R188-D195 IonicContact NE-OD2 3.6Å; R188-D195 PolarHBondContact NE-OD2 3.21Å; R188-D195 PolarHBondContact NH2-O 3.39Å; R188-D195 IonicContact NH2-OD2 3.88Å; C193-D195 PolarHBondContact O-N 2.8Å; D195-T244 WeakPolarHBondContact OD1-CB 3.33Å; D195-T244 PolarHBondContact OD1-OG1 3.15Å
196	E	98.9	Very high	98.8	Very high	4 Å²	4	10 Å²	10	2%	0.019	6%	0.06	C	C	.	.	S	Bend	trans	-137.6	144.9	169.4	-48.5	-174.3	175	0	0	109.5	R53 L54 H96 F194 A198 F199 W368	R53-E196 VanDerWaalsContact CA-OE1 3.31Å; R53-E196 WeakPolarHBondContact CA-OE1 3.39Å; R53-E196 IonicContact CZ-OE2 2.67Å; R53-E196 VanDerWaalsContact NE-CD 3.29Å; R53-E196 IonicContact NE-OE1 3.06Å; R53-E196 PolarHBondContact NE-OE1 2.83Å; R53-E196 IonicContact NE-OE2 2.72Å; R53-E196 PolarHBondContact NE-OE2 2.87Å; R53-E196 IonicContact NH2-OE2 3.63Å; R53-E196 PolarHBondContact NH2-OE2 2.84Å; L54-E196 HydrophobicContact CD1-CG 4.35Å; L54-E196 HydrophobicContact CG-CG 4.48Å; L54-E196 PolarHBondContact N-OE1 2.89Å; H96-E196 IonicContact CE1-OE1 3.98Å; F194-E196 VanDerWaalsContact C-N 3.27Å; F194-E196 PolarHBondContact O-N 2.91Å; E196-A198 VanDerWaalsContact C-N 3.25Å; E196-A198 PolarHBondContact O-N 2.81Å; E196-A198 VanDerWaalsContact O-N 3.1Å; E196-F199 HydrophobicContact CB-CD2 3.79Å; E196-F199 HydrophobicContact CB-CE2 4.07Å; E196-F199 HydrophobicContact CG-CD2 4.2Å; E196-F199 HydrophobicContact CG-CE2 4.11Å; E196-F199 PolarHBondContact O-N 2.88Å; E196-F199 VanDerWaalsContact O-N 3.08Å; E196-W368 HydrophobicContact CB-CE3 4.4Å; E196-W368 HydrophobicContact CB-CZ3 3.9Å; E196-W368 HydrophobicContact CG-CZ3 3.89Å
197	P	98.7	Very high	98.8	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.006	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.2	-167.7	22	-32.9	0	0	0	115	S243 Y245 T365 W368 W369 N472	P197-S243 PolarHBondContact O-OG 3.31Å; P197-Y245 HydrophobicContact CB-CD1 4.47Å; P197-Y245 HydrophobicContact CB-CE1 4.22Å; P197-T365 HydrophobicContact CB-CG2 4.06Å; P197-W368 HydrophobicContact CG-CE3 4.48Å; P197-W369 HydrophobicContact CB-CZ2 4.47Å; P197-W369 HydrophobicContact CG-CZ2 4.06Å; P197-N472 PolarHBondContact O-ND2 3.08Å
198	A	98.4	Very high	98.8	Very high	38 Å²	38	13.2 Å²	13.2	31%	0.314	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-23.6	176.2	0	0	0	0	0	114.6	E196 K200 E367	E196-A198 VanDerWaalsContact C-N 3.25Å; E196-A198 PolarHBondContact O-N 2.81Å; E196-A198 VanDerWaalsContact O-N 3.1Å; A198-K200 PolarHBondContact O-N 3.07Å; A198-E367 HydrophobicContact CB-CG 4.1Å
199	F	98.7	Very high	98.8	Very high	15 Å²	15	14 Å²	14	7%	0.066	7%	0.073	C	C	.	.			trans	-81.8	53.4	-178.4	-66	-66.6	0	0	0	112.4	L54 I59 P60 F194 E196 A201	L54-F199 HydrophobicContact CB-CE2 4.04Å; L54-F199 HydrophobicContact CB-CZ 4.31Å; L54-F199 HydrophobicContact CD1-CD2 4.43Å; L54-F199 HydrophobicContact CD1-CE2 4.07Å; I59-F199 HydrophobicContact CD1-CD1 4.2Å; I59-F199 HydrophobicContact CD1-CE1 3.84Å; P60-F199 HydrophobicContact CG-CB 3.89Å; P60-F199 HydrophobicContact CG-CD1 4.45Å; F194-F199 HydrophobicContact CB-CB 3.91Å; F194-F199 HydrophobicContact CB-CD2 3.92Å; F194-F199 HydrophobicContact CB-CG 3.88Å; E196-F199 HydrophobicContact CB-CD2 3.79Å; E196-F199 HydrophobicContact CB-CE2 4.07Å; E196-F199 HydrophobicContact CG-CD2 4.2Å; E196-F199 HydrophobicContact CG-CE2 4.11Å; E196-F199 PolarHBondContact O-N 2.88Å; E196-F199 VanDerWaalsContact O-N 3.08Å; F199-A201 PolarHBondContact O-N 3.24Å
200	K	98.8	Very high	98.8	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.026	8%	0.078	C	C	.	.			trans	-62.2	125.2	179.7	-71.4	-164.2	173.7	-173.1	0	112.3	A198 K241 M242 S243 N362 L363 T365 K471	A198-K200 PolarHBondContact O-N 3.07Å; K200-K241 WeakPolarHBondContact O-CE 3.32Å; K200-K241 PolarHBondContact O-NZ 2.96Å; K200-M242 VanDerWaalsContact CA-O 3.25Å; K200-M242 WeakPolarHBondContact CA-O 3.36Å; K200-S243 WeakPolarHBondContact CE-OG 3.45Å; K200-N362 PolarHBondContact NZ-O 3.15Å; K200-L363 PolarHBondContact NZ-O 3.33Å; K200-T365 WeakPolarHBondContact CE-OG1 3.5Å; K200-T365 PolarHBondContact NZ-OG1 3.43Å; K200-K471 WeakPolarHBondContact CE-O 3.27Å; K200-K471 PolarHBondContact NZ-O 3Å
201	A	98.9	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-134.1	171.3	178.6	0	0	0	0	0	110.8	P60 V61 Y63 F199 F203 K241 M242	P60-A201 HydrophobicContact CB-CB 4.42Å; V61-A201 WeakPolarHBondContact O-CB 3.19Å; Y63-A201 HydrophobicContact CD2-CB 3.64Å; Y63-A201 HydrophobicContact CE2-CB 3.61Å; F199-A201 PolarHBondContact O-N 3.24Å; A201-F203 HydrophobicContact CB-CE2 4.33Å; A201-F203 HydrophobicContact CB-CZ 4.36Å; A201-F203 WeakPolarHBondContact O-CE2 3.39Å; A201-K241 WeakPolarHBondContact O-CA 3.49Å; A201-M242 PolarHBondContact N-O 2.79Å; A201-M242 PolarHBondContact O-N 2.76Å
202	S	98.9	Very high	98.6	Very high	26 Å²	26	25.8 Å²	25.8	18%	0.182	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	151.4	167.1	54.2	0	0	0	0	111.1	V61 H62 Y63 T239	V61-S202 PolarHBondContact O-N 2.69Å; V61-S202 VanDerWaalsContact O-N 3.16Å; H62-S202 CarbonylContact C-O 3.5Å; H62-S202 WeakPolarHBondContact CA-O 3.47Å; H62-S202 PolarHBondContact ND1-O 3.39Å; H62-S202 VanDerWaalsContact ND1-O 3.1Å; H62-S202 PolarHBondContact ND1-OG 2.97Å; Y63-S202 PolarHBondContact N-O 3.22Å; S202-T239 VanDerWaalsContact CB-O 3.24Å; S202-T239 WeakPolarHBondContact CB-O 3.43Å
203	F	98.9	Very high	98.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.1	-173.7	-60.5	-97.3	0	0	0	110.9	Y63 L65 F191 A201 I205 V238 T239 M242 T244 V247	Y63-F203 HydrophobicContact CD1-CE1 4.37Å; Y63-F203 AromaticContact CD2-CD1 3.8Å; Y63-F203 HydrophobicContact CD2-CD1 3.8Å; Y63-F203 AromaticContact CD2-CE1 3.31Å; Y63-F203 HydrophobicContact CD2-CE1 3.31Å; Y63-F203 AromaticContact CD2-CZ 3.75Å; Y63-F203 HydrophobicContact CD2-CZ 3.75Å; Y63-F203 AromaticContact CE2-CE1 3.79Å; Y63-F203 HydrophobicContact CE2-CE1 3.79Å; Y63-F203 AromaticContact CE2-CZ 3.96Å; Y63-F203 HydrophobicContact CE2-CZ 3.96Å; Y63-F203 AromaticContact CG-CD1 3.83Å; Y63-F203 HydrophobicContact CG-CD1 3.83Å; Y63-F203 AromaticContact CG-CE1 3.64Å; Y63-F203 HydrophobicContact CG-CE1 3.64Å; Y63-F203 CarbonylContact O-C 3.11Å; Y63-F203 WeakPolarHBondContact O-CA 3.35Å; L65-F203 HydrophobicContact CD1-CD1 3.96Å; L65-F203 HydrophobicContact CG-CD1 4.48Å; F191-F203 HydrophobicContact CE2-CE1 4.13Å; F191-F203 HydrophobicContact CZ-CE1 4.29Å; A201-F203 HydrophobicContact CB-CE2 4.33Å; A201-F203 HydrophobicContact CB-CZ 4.36Å; A201-F203 WeakPolarHBondContact O-CE2 3.39Å; F203-I205 HydrophobicContact CB-CD1 4.4Å; F203-I205 HydrophobicContact CB-CG1 4.27Å; F203-V238 WeakPolarHBondContact O-CA 3.48Å; F203-T239 HydrophobicContact CB-CG2 4.03Å; F203-T239 PolarHBondContact N-OG1 2.91Å; F203-T239 PolarHBondContact O-N 3.14Å; F203-M242 HydrophobicContact CD2-CE 3.79Å; F203-M242 HydrophobicContact CD2-CG 3.92Å; F203-M242 HydrophobicContact CE2-CE 4.25Å; F203-M242 HydrophobicContact CE2-CG 3.86Å; F203-M242 HydrophobicContact CG-CE 4.38Å; F203-T244 HydrophobicContact CZ-CG2 4.19Å; F203-V247 HydrophobicContact CD1-CG2 3.64Å; F203-V247 HydrophobicContact CD2-CG2 4.03Å; F203-V247 HydrophobicContact CE1-CG2 3.6Å; F203-V247 HydrophobicContact CE2-CG2 3.99Å; F203-V247 HydrophobicContact CG-CG2 3.88Å; F203-V247 HydrophobicContact CZ-CG2 3.79Å
204	S	98.9	Very high	98.6	Very high	27 Å²	27	28.9 Å²	28.9	19%	0.189	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	104.8	168.4	-66.2	0	0	0	0	108.6	H62 Y63 L65	H62-S204 PolarHBondContact CE1-OG 2.89Å; H62-S204 PolarHBondContact NE2-OG 2.85Å; Y63-S204 PolarHBondContact O-N 2.94Å; L65-S204 PolarHBondContact N-O 3.27Å
205	I	98.9	Very high	98.6	Very high	3 Å²	3	29 Å²	29	2%	0.015	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.3	-172.5	-60.7	167.8	0	0	0	110.2	L65 F203 I207 S217 F236 V247 F249	L65-I205 HydrophobicContact CB-CG1 4.45Å; L65-I205 HydrophobicContact CD1-CG1 4.43Å; L65-I205 CarbonylContact O-C 3.59Å; F203-I205 HydrophobicContact CB-CD1 4.4Å; F203-I205 HydrophobicContact CB-CG1 4.27Å; I205-I207 HydrophobicContact CG2-CD1 3.86Å; I205-I207 HydrophobicContact CG2-CG1 4.12Å; I205-S217 VanDerWaalsContact CD1-OG 3.22Å; I205-S217 WeakPolarHBondContact CD1-OG 3.14Å; I205-F236 HydrophobicContact CB-CD2 4.42Å; I205-F236 HydrophobicContact CG2-CD2 4.21Å; I205-F236 WeakPolarHBondContact O-CD2 3.4Å; I205-F236 PolarHBondContact O-N 2.64Å; I205-V247 HydrophobicContact CD1-CG1 3.91Å; I205-F249 HydrophobicContact CG2-CD1 4.45Å
206	K	98.9	Very high	98.6	Very high	42 Å²	42	29.3 Å²	29.3	18%	0.183	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.5	174.3	-73.9	166.8	-69.7	-139.4	0	110.3	D64 L65 L66 I67 E233 D234 H235	D64-K206 IonicContact OD1-NZ 2.67Å; D64-K206 PolarHBondContact OD1-NZ 2.95Å; L65-K206 PolarHBondContact O-N 3Å; L66-K206 WeakPolarHBondContact CA-O 3.14Å; L66-K206 HydrophobicContact CD1-CB 3.78Å; I67-K206 PolarHBondContact N-O 3.05Å; K206-E233 HydrophobicContact CB-CG 4.39Å; K206-D234 CarbonylContact C-O 3.56Å; K206-D234 WeakPolarHBondContact CA-O 3.49Å; K206-H235 HydrophobicContact CG-CB 4.39Å
207	I	98.9	Very high	98.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.5	-177.3	-56.1	-59.9	0	0	0	109.6	I67 I205 A215 E233 D234 F236 F249 I251	I67-I207 HydrophobicContact CB-CD1 3.86Å; I67-I207 HydrophobicContact CG1-CD1 4.31Å; I67-I207 CarbonylContact O-C 3.53Å; I67-I207 WeakPolarHBondContact O-CA 3.31Å; I205-I207 HydrophobicContact CG2-CD1 3.86Å; I205-I207 HydrophobicContact CG2-CG1 4.12Å; I207-A215 HydrophobicContact CB-CB 3.98Å; I207-A215 HydrophobicContact CG1-CB 4.44Å; I207-A215 HydrophobicContact CG2-CB 3.77Å; I207-E233 WeakPolarHBondContact O-CA 3.44Å; I207-D234 PolarHBondContact N-O 2.84Å; I207-D234 PolarHBondContact O-N 2.8Å; I207-F236 HydrophobicContact CB-CE2 4.2Å; I207-F236 HydrophobicContact CG1-CD2 4.4Å; I207-F236 HydrophobicContact CG1-CE2 3.72Å; I207-F249 HydrophobicContact CD1-CB 3.86Å; I207-F249 HydrophobicContact CD1-CD1 4.44Å; I207-F249 HydrophobicContact CD1-CD2 4.02Å; I207-F249 HydrophobicContact CD1-CG 3.85Å; I207-F249 HydrophobicContact CG1-CB 4.33Å; I207-I251 HydrophobicContact CG2-CD1 3.59Å; I207-I251 HydrophobicContact CG2-CG1 3.75Å
208	R	98.8	Very high	98.6	Very high	74 Å²	74	29.2 Å²	29.2	28%	0.279	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.5	169.4	-70.7	-179.1	-179.2	-169.8	-2.2	110.6	L66 I67 H68 L231 I232 E233	L66-R208 HydrophobicContact CD1-CG 4.15Å; I67-R208 PolarHBondContact O-N 2.83Å; H68-R208 HydrophobicContact CB-CB 3.82Å; H68-R208 HydrophobicContact CB-CG 4.49Å; R208-L231 HydrophobicContact CB-CD1 4.31Å; R208-L231 HydrophobicContact CB-CD2 4.31Å; R208-L231 HydrophobicContact CB-CG 4.33Å; R208-I232 CarbonylContact C-O 3.59Å; R208-I232 VanDerWaalsContact CA-O 3.28Å; R208-I232 WeakPolarHBondContact CA-O 3.45Å; R208-E233 HydrophobicContact CG-CB 3.95Å; R208-E233 HydrophobicContact CG-CG 3.87Å; R208-E233 IonicContact CZ-OE2 2.68Å; R208-E233 IonicContact NE-OE2 2.63Å; R208-E233 PolarHBondContact NE-OE2 2.86Å; R208-E233 IonicContact NH2-OE2 3.82Å; R208-E233 PolarHBondContact NH2-OE2 3.35Å
209	R	98.3	Very high	98.6	Very high	24 Å²	24	28 Å²	28	9%	0.091	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.1	-177.4	56.5	158.4	177.4	89.6	13.3	112.7	H213 I232 D234 I251	R209-H213 WeakPolarHBondContact CD-O 3.32Å; R209-H213 VanDerWaalsContact CZ-O 3.27Å; R209-H213 PolarHBondContact NE-O 3.41Å; R209-H213 PolarHBondContact NH1-O 2.96Å; R209-I232 PolarHBondContact N-O 2.95Å; R209-I232 PolarHBondContact O-N 2.91Å; R209-D234 IonicContact CZ-OD1 3.65Å; R209-D234 IonicContact CZ-OD2 3.25Å; R209-D234 IonicContact NE-OD2 2.77Å; R209-D234 PolarHBondContact NE-OD2 2.83Å; R209-D234 IonicContact NH2-OD1 2.61Å; R209-D234 PolarHBondContact NH2-OD1 2.91Å; R209-D234 IonicContact NH2-OD2 2.86Å; R209-D234 PolarHBondContact NH2-OD2 2.75Å; R209-I251 HydrophobicContact CB-CG2 4.31Å
210	E	98	Very high	98.6	Very high	55 Å²	55	29 Å²	29	26%	0.257	14%	0.142	S	C	.	.			trans	-66.7	147.7	166.7	-64.1	171.2	-138.3	0	0	111	R212 H213	E210-R212 HydrophobicContact CB-CG 4.2Å; E210-R212 PolarHBondContact O-N 3.18Å; E210-R212 VanDerWaalsContact O-N 3.08Å; E210-R212 IonicContact OE1-NH2 2.95Å; E210-R212 PolarHBondContact OE1-NH2 3.44Å; E210-R212 IonicContact OE2-CZ 2.7Å; E210-R212 IonicContact OE2-NE 2.77Å; E210-R212 PolarHBondContact OE2-NE 2.81Å; E210-R212 IonicContact OE2-NH2 3.88Å; E210-R212 PolarHBondContact OE2-NH2 2.85Å; E210-H213 PolarHBondContact O-N 3.33Å; E210-H213 VanDerWaalsContact O-N 3.11Å
211	P	97.8	Very high	98.6	Very high	79 Å²	79	32.4 Å²	32.4	51%	0.513	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25	-179.6	-28.3	33.2	0	0	0	116.1	H213 G230 I232	P211-H213 VanDerWaalsContact C-N 3.33Å; P211-G230 WeakPolarHBondContact CD-O 3.38Å; P211-I232 HydrophobicContact CB-CD1 4.05Å; P211-I232 HydrophobicContact CG-CD1 4.06Å; P211-I232 HydrophobicContact CG-CG1 4.27Å
212	R	97.1	Very high	98.6	Very high	146 Å²	146	36.5 Å²	36.5	55%	0.551	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.6	179.5	65.9	173.1	169.1	115.5	2.5	114.5	E210	E210-R212 HydrophobicContact CB-CG 4.2Å; E210-R212 PolarHBondContact O-N 3.18Å; E210-R212 VanDerWaalsContact O-N 3.08Å; E210-R212 IonicContact OE1-NH2 2.95Å; E210-R212 PolarHBondContact OE1-NH2 3.44Å; E210-R212 IonicContact OE2-CZ 2.7Å; E210-R212 IonicContact OE2-NE 2.77Å; E210-R212 PolarHBondContact OE2-NE 2.81Å; E210-R212 IonicContact OE2-NH2 3.88Å; E210-R212 PolarHBondContact OE2-NH2 2.85Å
213	H	98.4	Very high	98.5	Very high	11 Å²	11	41.1 Å²	41.1	5%	0.051	20%	0.202	C	C	.	.	S	Bend	trans	-96.4	155.1	177.3	-57.6	126.4	0	0	0	110.1	R209 E210 P211 I251 S252	R209-H213 WeakPolarHBondContact CD-O 3.32Å; R209-H213 VanDerWaalsContact CZ-O 3.27Å; R209-H213 PolarHBondContact NE-O 3.41Å; R209-H213 PolarHBondContact NH1-O 2.96Å; E210-H213 PolarHBondContact O-N 3.33Å; E210-H213 VanDerWaalsContact O-N 3.11Å; P211-H213 VanDerWaalsContact C-N 3.33Å; H213-I251 HydrophobicContact CB-CG2 3.82Å; H213-S252 CarbonylContact C-O 3.54Å; H213-S252 VanDerWaalsContact CA-O 3.28Å; H213-S252 WeakPolarHBondContact CA-O 3.41Å; H213-S252 WeakPolarHBondContact CB-O 3.17Å
214	L	98.4	Very high	98.5	Very high	54 Å²	54	44 Å²	44	28%	0.283	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	150.9	159.5	177.9	62.8	0	0	0	109.1	I216 I251 S252 Y270	L214-I216 HydrophobicContact CD1-CG2 4.49Å; L214-I216 HydrophobicContact CD2-CG2 3.91Å; L214-I216 HydrophobicContact CG-CG2 4.05Å; L214-I251 WeakPolarHBondContact O-CA 3.33Å; L214-S252 PolarHBondContact N-O 3.42Å; L214-S252 PolarHBondContact O-N 2.86Å; L214-S252 VanDerWaalsContact O-N 3.14Å; L214-Y270 HydrophobicContact CD2-CD1 4.3Å; L214-Y270 HydrophobicContact CD2-CE1 3.55Å
215	A	98.8	Very high	98.5	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.017	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.3	160.4	0	0	0	0	0	109.6	I207 F236 I250	I207-A215 HydrophobicContact CB-CB 3.98Å; I207-A215 HydrophobicContact CG1-CB 4.44Å; I207-A215 HydrophobicContact CG2-CB 3.77Å; A215-F236 HydrophobicContact CB-CE2 4.47Å; A215-F236 HydrophobicContact CB-CZ 4.07Å; A215-F236 WeakPolarHBondContact O-CZ 3.36Å; A215-I250 VanDerWaalsContact CA-O 3.3Å; A215-I250 WeakPolarHBondContact CA-O 3.33Å
216	I	98.9	Very high	98.4	Very high	9 Å²	9	49.9 Å²	49.9	5%	0.046	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.9	170.1	57.6	-178	0	0	0	109.5	L214 F249 I250 Y270 L324	L214-I216 HydrophobicContact CD1-CG2 4.49Å; L214-I216 HydrophobicContact CD2-CG2 3.91Å; L214-I216 HydrophobicContact CG-CG2 4.05Å; I216-F249 CarbonylContact O-C 3.37Å; I216-F249 VanDerWaalsContact O-CA 3.27Å; I216-F249 WeakPolarHBondContact O-CA 2.97Å; I216-I250 HydrophobicContact CD1-CB 4.44Å; I216-I250 HydrophobicContact CD1-CD1 4.28Å; I216-I250 HydrophobicContact CG1-CB 3.87Å; I216-I250 HydrophobicContact CG1-CD1 4.41Å; I216-I250 PolarHBondContact N-O 2.83Å; I216-I250 PolarHBondContact O-N 3.36Å; I216-Y270 HydrophobicContact CD1-CD1 4.14Å; I216-Y270 HydrophobicContact CD1-CD2 4.05Å; I216-Y270 HydrophobicContact CD1-CE1 4.39Å; I216-Y270 HydrophobicContact CD1-CE2 4.3Å; I216-Y270 HydrophobicContact CD1-CG 3.97Å; I216-Y270 HydrophobicContact CG2-CE1 4.23Å; I216-L324 HydrophobicContact CB-CD2 4.42Å; I216-L324 HydrophobicContact CD1-CD1 3.65Å; I216-L324 HydrophobicContact CD1-CD2 4.49Å; I216-L324 HydrophobicContact CG1-CD1 4.06Å; I216-L324 HydrophobicContact CG1-CD2 4Å
217	S	98.9	Very high	98.2	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	-175.9	-179.1	-172.1	0	0	0	0	109.9	I205 M219 A248 K305	I205-S217 VanDerWaalsContact CD1-OG 3.22Å; I205-S217 WeakPolarHBondContact CD1-OG 3.14Å; S217-M219 VanDerWaalsContact C-N 3.28Å; S217-M219 PolarHBondContact O-N 3.32Å; S217-A248 VanDerWaalsContact CA-O 3.28Å; S217-A248 WeakPolarHBondContact CA-O 3.41Å; S217-A248 WeakPolarHBondContact CB-O 3.15Å; S217-A248 PolarHBondContact OG-O 3Å; S217-K305 PolarHBondContact O-NZ 2.94Å
218	N	98.9	Very high	98	Very high	1 Å²	1	53 Å²	53	1%	0.005	29%	0.285	C	S	.	.	S	Bend	trans	-49.4	-45.8	-179.2	-63.6	100.1	0	0	0	113.3	T239 L246 V247 A248 K305 W322	N218-T239 HydrophobicContact CB-CG2 4.02Å; N218-L246 PolarHBondContact ND2-O 2.87Å; N218-V247 WeakPolarHBondContact OD1-CA 3.33Å; N218-A248 PolarHBondContact N-O 2.86Å; N218-A248 PolarHBondContact OD1-N 3.4Å; N218-A248 PolarHBondContact OD1-O 3.03Å; N218-K305 WeakPolarHBondContact O-CE 3.19Å; N218-K305 PolarHBondContact O-NZ 2.83Å; N218-W322 WeakPolarHBondContact CA-O 3.5Å; N218-W322 VanDerWaalsContact CB-O 3.24Å; N218-W322 WeakPolarHBondContact CB-O 3.35Å; N218-W322 PolarHBondContact ND2-O 2.96Å
219	M	98.9	Very high	97.6	Very high	13 Å²	13	58.6 Å²	58.6	6%	0.064	31%	0.314	C	S	.	.	S	Bend	trans	-101.6	166.1	-173.4	-66.4	-56.5	-71.8	0	0	113.1	S217 F236 D237 V238 T239 L303	S217-M219 VanDerWaalsContact C-N 3.28Å; S217-M219 PolarHBondContact O-N 3.32Å; M219-F236 HydrophobicContact CB-CB 4.46Å; M219-F236 WeakPolarHBondContact O-CD1 3.48Å; M219-D237 HydrophobicContact CB-CB 4Å; M219-D237 WeakPolarHBondContact CB-O 3.42Å; M219-D237 HydrophobicContact CE-CB 4.23Å; M219-D237 VanDerWaalsContact CG-O 3.31Å; M219-D237 WeakPolarHBondContact CG-O 3.28Å; M219-V238 WeakPolarHBondContact CE-O 3.46Å; M219-T239 HydrophobicContact CG-CG2 3.7Å; M219-T239 HydrophobicContact SD-CG2 4.48Å; M219-L303 HydrophobicContact CE-CD2 4.33Å; M219-L303 HydrophobicContact SD-CD1 3.99Å; M219-L303 HydrophobicContact SD-CD2 3.85Å; M219-L303 HydrophobicContact SD-CG 4.34Å
220	P	98.8	Very high	97.3	Very high	35 Å²	35	59.4 Å²	59.4	23%	0.227	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-59.4	147.7	171.5	-21.6	32.9	0	0	0	112.9	V222 F236 D237 P304 K305	P220-V222 PolarHBondContact O-N 3.03Å; P220-F236 WeakPolarHBondContact O-CA 3.13Å; P220-D237 PolarHBondContact O-N 2.81Å; P220-P304 HydrophobicContact CG-CB 3.96Å; P220-P304 HydrophobicContact CG-CG 4.01Å; P220-K305 HydrophobicContact CG-CG 3.9Å
221	L	98.6	Very high	97.2	Very high	78 Å²	78	58 Å²	58	41%	0.408	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	118.1	167.9	177.8	69.3	0	0	0	109.4	D234 F236	L221-D234 HydrophobicContact CD1-CB 3.53Å; L221-F236 HydrophobicContact CB-CD1 4.26Å; L221-F236 HydrophobicContact CB-CE1 4.08Å; L221-F236 HydrophobicContact CD1-CE1 4.2Å; L221-F236 HydrophobicContact CD1-CZ 4.34Å
222	V	98.3	Very high	97.3	Very high	87 Å²	87	55.8 Å²	55.8	53%	0.527	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-27.2	178.8	-62.8	0	0	0	0	113	P220 H235 D237	P220-V222 PolarHBondContact O-N 3.03Å; V222-H235 HydrophobicContact CG2-CB 4.08Å; V222-H235 WeakPolarHBondContact CG2-O 3.41Å; V222-H235 PolarHBondContact N-O 3.12Å; V222-D237 HydrophobicContact CG1-CB 3.68Å
223	K	97.8	Very high	97.3	Very high	123 Å²	123	49.8 Å²	49.8	54%	0.535	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	143.5	-177.5	-163.7	-179.1	-175.1	-175.9	0	112	V225 H235	K223-V225 HydrophobicContact CD-CG2 3.78Å; K223-V225 HydrophobicContact CG-CG2 3.93Å; K223-H235 HydrophobicContact CB-CB 4.21Å; K223-H235 PolarHBondContact N-O 2.61Å; K223-H235 PolarHBondContact O-N 2.94Å
224	S	98.3	Very high	97.4	Very high	59 Å²	59	49.3 Å²	49.3	41%	0.413	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.3	164.5	-58.6	0	0	0	0	109.5	D234	S224-D234 VanDerWaalsContact CB-OD1 3.27Å; S224-D234 WeakPolarHBondContact CB-OD1 3.47Å; S224-D234 PolarHBondContact OG-OD1 3.09Å
225	V	98.1	Very high	97.4	Very high	46 Å²	46	49.1 Å²	49.1	28%	0.279	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	125.3	-178.3	-175.5	0	0	0	0	110.4	K223 V227 E233	K223-V225 HydrophobicContact CD-CG2 3.78Å; K223-V225 HydrophobicContact CG-CG2 3.93Å; V225-V227 HydrophobicContact CG1-CG1 4.36Å; V225-V227 PolarHBondContact O-N 3.09Å; V225-E233 PolarHBondContact N-O 3.41Å; V225-E233 PolarHBondContact O-N 2.89Å
226	T	97.4	Very high	97.4	Very high	109 Å²	109	49.7 Å²	49.7	67%	0.669	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	116.1	169.1	-49.7	0	0	0	0	109.3	A228	T226-A228 WeakPolarHBondContact CG2-O 3.48Å
227	V	95.9	Very high	97.4	Very high	56 Å²	56	52.6 Å²	52.6	34%	0.339	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-20.6	-175.9	-70.4	0	0	0	0	113.5	V225 L231 E233	V225-V227 HydrophobicContact CG1-CG1 4.36Å; V225-V227 PolarHBondContact O-N 3.09Å; V227-L231 HydrophobicContact CG2-CB 4.26Å; V227-L231 HydrophobicContact CG2-CD2 4.01Å; V227-L231 HydrophobicContact CG2-CG 4.06Å; V227-L231 WeakPolarHBondContact CG2-O 3.48Å; V227-L231 PolarHBondContact N-O 2.89Å; V227-E233 HydrophobicContact CG1-CB 3.58Å; V227-E233 HydrophobicContact CG2-CB 4.09Å
228	A	94	Very high	97.4	Very high	51 Å²	51	55.6 Å²	55.6	42%	0.421	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	171.5	171.1	0	0	0	0	0	109.3	T226 G230 L231	T226-A228 WeakPolarHBondContact CG2-O 3.48Å; A228-G230 PolarHBondContact O-N 2.88Å; A228-L231 HydrophobicContact CB-CB 4.21Å; A228-L231 PolarHBondContact O-N 2.8Å; A228-L231 VanDerWaalsContact O-N 3.08Å
229	E	90.5	Very high	97.4	Very high	192 Å²	192	55.9 Å²	55.9	90%	0.897	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	125	171.3	-171.6	56.2	-134.9	0	0	109.9	L231	E229-L231 VanDerWaalsContact C-N 3.28Å; E229-L231 PolarHBondContact O-N 3.41Å
230	G	91.8	Very high	97.4	Very high	40 Å²	40	57 Å²	57	41%	0.412	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	14.5	-177.3	0	0	0	0	0	116.6	P211 A228	P211-G230 WeakPolarHBondContact CD-O 3.38Å; A228-G230 PolarHBondContact O-N 2.88Å
231	L	96.6	Very high	97.4	Very high	27 Å²	27	60.4 Å²	60.4	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.1	179.6	-163	70.6	0	0	0	113.2	R208 V227 A228 E229	R208-L231 HydrophobicContact CB-CD1 4.31Å; R208-L231 HydrophobicContact CB-CD2 4.31Å; R208-L231 HydrophobicContact CB-CG 4.33Å; V227-L231 HydrophobicContact CG2-CB 4.26Å; V227-L231 HydrophobicContact CG2-CD2 4.01Å; V227-L231 HydrophobicContact CG2-CG 4.06Å; V227-L231 WeakPolarHBondContact CG2-O 3.48Å; V227-L231 PolarHBondContact N-O 2.89Å; A228-L231 HydrophobicContact CB-CB 4.21Å; A228-L231 PolarHBondContact O-N 2.8Å; A228-L231 VanDerWaalsContact O-N 3.08Å; E229-L231 VanDerWaalsContact C-N 3.28Å; E229-L231 PolarHBondContact O-N 3.41Å
232	I	98.4	Very high	97.4	Very high	31 Å²	31	56.7 Å²	56.7	16%	0.159	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.7	177.4	-58.5	177.8	0	0	0	108.9	R208 R209 P211	R208-I232 CarbonylContact C-O 3.59Å; R208-I232 VanDerWaalsContact CA-O 3.28Å; R208-I232 WeakPolarHBondContact CA-O 3.45Å; R209-I232 PolarHBondContact N-O 2.95Å; R209-I232 PolarHBondContact O-N 2.91Å; P211-I232 HydrophobicContact CB-CD1 4.05Å; P211-I232 HydrophobicContact CG-CD1 4.06Å; P211-I232 HydrophobicContact CG-CG1 4.27Å
233	E	98.8	Very high	97.4	Very high	21 Å²	21	52.6 Å²	52.6	10%	0.098	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	112	168.1	-169.2	178.1	101.2	0	0	109.2	L66 K206 I207 R208 V225 V227 H235	L66-E233 HydrophobicContact CD1-CG 4.27Å; K206-E233 HydrophobicContact CB-CG 4.39Å; I207-E233 WeakPolarHBondContact O-CA 3.44Å; R208-E233 HydrophobicContact CG-CB 3.95Å; R208-E233 HydrophobicContact CG-CG 3.87Å; R208-E233 IonicContact CZ-OE2 2.68Å; R208-E233 IonicContact NE-OE2 2.63Å; R208-E233 PolarHBondContact NE-OE2 2.86Å; R208-E233 IonicContact NH2-OE2 3.82Å; R208-E233 PolarHBondContact NH2-OE2 3.35Å; V225-E233 PolarHBondContact N-O 3.41Å; V225-E233 PolarHBondContact O-N 2.89Å; V227-E233 HydrophobicContact CG1-CB 3.58Å; V227-E233 HydrophobicContact CG2-CB 4.09Å; E233-H235 IonicContact OE1-CD2 3.65Å; E233-H235 IonicContact OE1-CE1 3.68Å; E233-H235 IonicContact OE1-NE2 2.74Å; E233-H235 PolarHBondContact OE1-NE2 2.67Å
234	D	98.8	Very high	97.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.7	173	-77.9	-18.3	0	0	0	110	K206 I207 R209 L221 S224 F236	K206-D234 CarbonylContact C-O 3.56Å; K206-D234 WeakPolarHBondContact CA-O 3.49Å; I207-D234 PolarHBondContact N-O 2.84Å; I207-D234 PolarHBondContact O-N 2.8Å; R209-D234 IonicContact CZ-OD1 3.65Å; R209-D234 IonicContact CZ-OD2 3.25Å; R209-D234 IonicContact NE-OD2 2.77Å; R209-D234 PolarHBondContact NE-OD2 2.83Å; R209-D234 IonicContact NH2-OD1 2.61Å; R209-D234 PolarHBondContact NH2-OD1 2.91Å; R209-D234 IonicContact NH2-OD2 2.86Å; R209-D234 PolarHBondContact NH2-OD2 2.75Å; L221-D234 HydrophobicContact CD1-CB 3.53Å; S224-D234 VanDerWaalsContact CB-OD1 3.27Å; S224-D234 WeakPolarHBondContact CB-OD1 3.47Å; S224-D234 PolarHBondContact OG-OD1 3.09Å; D234-F236 HydrophobicContact CB-CE2 4.05Å; D234-F236 HydrophobicContact CB-CZ 4.25Å
235	H	98.8	Very high	97.5	Very high	51 Å²	51	44 Å²	44	24%	0.236	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.5	177.9	-64.9	-162.2	0	0	0	107.7	K206 V222 K223 E233	K206-H235 HydrophobicContact CG-CB 4.39Å; V222-H235 HydrophobicContact CG2-CB 4.08Å; V222-H235 WeakPolarHBondContact CG2-O 3.41Å; V222-H235 PolarHBondContact N-O 3.12Å; K223-H235 HydrophobicContact CB-CB 4.21Å; K223-H235 PolarHBondContact N-O 2.61Å; K223-H235 PolarHBondContact O-N 2.94Å; E233-H235 IonicContact OE1-CD2 3.65Å; E233-H235 IonicContact OE1-CE1 3.68Å; E233-H235 IonicContact OE1-NE2 2.74Å; E233-H235 PolarHBondContact OE1-NE2 2.67Å
236	F	98.9	Very high	97.5	Very high	14 Å²	14	41.8 Å²	41.8	6%	0.061	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	155.3	173.1	-61.3	-83.8	0	0	0	110.2	I205 I207 A215 M219 P220 L221 D234	I205-F236 HydrophobicContact CB-CD2 4.42Å; I205-F236 HydrophobicContact CG2-CD2 4.21Å; I205-F236 WeakPolarHBondContact O-CD2 3.4Å; I205-F236 PolarHBondContact O-N 2.64Å; I207-F236 HydrophobicContact CB-CE2 4.2Å; I207-F236 HydrophobicContact CG1-CD2 4.4Å; I207-F236 HydrophobicContact CG1-CE2 3.72Å; A215-F236 HydrophobicContact CB-CE2 4.47Å; A215-F236 HydrophobicContact CB-CZ 4.07Å; A215-F236 WeakPolarHBondContact O-CZ 3.36Å; M219-F236 HydrophobicContact CB-CB 4.46Å; M219-F236 WeakPolarHBondContact O-CD1 3.48Å; P220-F236 WeakPolarHBondContact O-CA 3.13Å; L221-F236 HydrophobicContact CB-CD1 4.26Å; L221-F236 HydrophobicContact CB-CE1 4.08Å; L221-F236 HydrophobicContact CD1-CE1 4.2Å; L221-F236 HydrophobicContact CD1-CZ 4.34Å; D234-F236 HydrophobicContact CB-CE2 4.05Å; D234-F236 HydrophobicContact CB-CZ 4.25Å
237	D	98.8	Very high	97.6	Very high	70 Å²	70	36.6 Å²	36.6	37%	0.374	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-63.4	161.6	173.6	-149	-14.2	0	0	0	111.2	M219 P220 V222	M219-D237 HydrophobicContact CB-CB 4Å; M219-D237 WeakPolarHBondContact CB-O 3.42Å; M219-D237 HydrophobicContact CE-CB 4.23Å; M219-D237 VanDerWaalsContact CG-O 3.31Å; M219-D237 WeakPolarHBondContact CG-O 3.28Å; P220-D237 PolarHBondContact O-N 2.81Å; V222-D237 HydrophobicContact CG1-CB 3.68Å
238	V	98.8	Very high	97.7	Very high	63 Å²	63	34 Å²	34	38%	0.382	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-74.3	132.1	179.5	61	0	0	0	0	111	F203 M219	F203-V238 WeakPolarHBondContact O-CA 3.48Å; M219-V238 WeakPolarHBondContact CE-O 3.46Å
239	T	98.9	Very high	98	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.049	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-67.7	157.3	176.5	72.7	0	0	0	0	111.7	S202 F203 N218 M219 M242	S202-T239 VanDerWaalsContact CB-O 3.24Å; S202-T239 WeakPolarHBondContact CB-O 3.43Å; F203-T239 HydrophobicContact CB-CG2 4.03Å; F203-T239 PolarHBondContact N-OG1 2.91Å; F203-T239 PolarHBondContact O-N 3.14Å; N218-T239 HydrophobicContact CB-CG2 4.02Å; M219-T239 HydrophobicContact CG-CG2 3.7Å; M219-T239 HydrophobicContact SD-CG2 4.48Å; T239-M242 HydrophobicContact CG2-CE 3.76Å; T239-M242 HydrophobicContact CG2-SD 3.99Å
240	V	98.8	Very high	98.4	Very high	37 Å²	37	22.4 Å²	22.4	22%	0.224	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-59.7	171.3	156.7	-61.8	0	0	0	0	111.1	M242 L303 W322 Y470	V240-M242 PolarHBondContact O-N 3.37Å; V240-L303 HydrophobicContact CG1-CD2 3.9Å; V240-L303 HydrophobicContact CG2-CD2 3.99Å; V240-W322 HydrophobicContact CG2-CD2 4.16Å; V240-W322 HydrophobicContact CG2-CE3 3.71Å; V240-W322 HydrophobicContact CG2-CH2 3.63Å; V240-W322 HydrophobicContact CG2-CZ2 4.1Å; V240-W322 HydrophobicContact CG2-CZ3 3.42Å; V240-W322 VanDerWaalsContact CG2-CZ3 3.42Å; V240-Y470 HydrophobicContact CB-CD1 4.2Å; V240-Y470 HydrophobicContact CB-CE1 3.74Å; V240-Y470 HydrophobicContact CG1-CE1 4.07Å; V240-Y470 HydrophobicContact CG2-CD1 4.38Å; V240-Y470 HydrophobicContact CG2-CE1 3.92Å
241	K	98.8	Very high	98.7	Very high	105 Å²	105	20.5 Å²	20.5	46%	0.457	11%	0.105	S	C	.	.	S	Bend	trans	-64.4	116.6	173.1	-76.9	-160.9	74.1	-169.7	0	110.8	K200 A201	K200-K241 WeakPolarHBondContact O-CE 3.32Å; K200-K241 PolarHBondContact O-NZ 2.96Å; A201-K241 WeakPolarHBondContact O-CA 3.49Å
242	M	98.9	Very high	98.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-144.7	168.4	-179.7	72	-172.6	-158.8	0	0	111.7	K200 A201 F203 T239 V240 L246 V247 W322	K200-M242 VanDerWaalsContact CA-O 3.25Å; K200-M242 WeakPolarHBondContact CA-O 3.36Å; A201-M242 PolarHBondContact N-O 2.79Å; A201-M242 PolarHBondContact O-N 2.76Å; F203-M242 HydrophobicContact CD2-CE 3.79Å; F203-M242 HydrophobicContact CD2-CG 3.92Å; F203-M242 HydrophobicContact CE2-CE 4.25Å; F203-M242 HydrophobicContact CE2-CG 3.86Å; F203-M242 HydrophobicContact CG-CE 4.38Å; T239-M242 HydrophobicContact CG2-CE 3.76Å; T239-M242 HydrophobicContact CG2-SD 3.99Å; V240-M242 PolarHBondContact O-N 3.37Å; M242-L246 HydrophobicContact CB-CD1 4.37Å; M242-L246 HydrophobicContact SD-CB 4.38Å; M242-V247 HydrophobicContact CE-CB 4.29Å; M242-V247 HydrophobicContact CE-CG2 3.64Å; M242-W322 HydrophobicContact CB-CE3 3.67Å; M242-W322 HydrophobicContact CB-CZ3 3.94Å; M242-W322 HydrophobicContact SD-CB 4.26Å; M242-W322 HydrophobicContact SD-CE3 4.32Å
243	S	98.9	Very high	98.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.099	C	C	.	.			trans	-82.2	156.8	179.6	-55.7	0	0	0	0	111.6	P197 K200 Y245 L246	P197-S243 PolarHBondContact O-OG 3.31Å; K200-S243 WeakPolarHBondContact CE-OG 3.45Å; S243-Y245 VanDerWaalsContact C-N 3.32Å; S243-Y245 VanDerWaalsContact CB-CE1 3.46Å; S243-Y245 PolarHBondContact O-N 2.9Å; S243-L246 PolarHBondContact O-N 3.15Å
244	T	98.9	Very high	98.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-59.7	-37	-176.6	46.3	0	0	0	0	113.9	C193 D195 F203 L246 V247	C193-T244 HydrophobicContact CB-CG2 4.04Å; D195-T244 WeakPolarHBondContact OD1-CB 3.33Å; D195-T244 PolarHBondContact OD1-OG1 3.15Å; F203-T244 HydrophobicContact CZ-CG2 4.19Å; T244-L246 PolarHBondContact O-N 2.68Å; T244-V247 WeakPolarHBondContact O-CB 3.26Å; T244-V247 WeakPolarHBondContact O-CG2 3.44Å; T244-V247 PolarHBondContact O-N 3.49Å; T244-V247 VanDerWaalsContact O-N 3.17Å
245	Y	98.8	Very high	98.8	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-65.4	-17.2	-179.2	79.3	-89.6	0	0	0	114	E183 P197 S243 M319 G361 T365 W369 N375	E183-Y245 HydrophobicContact CB-CD2 3.86Å; E183-Y245 HydrophobicContact CG-CD2 3.69Å; E183-Y245 HydrophobicContact CG-CE2 4.19Å; E183-Y245 HydrophobicContact CG-CG 4.31Å; E183-Y245 WeakPolarHBondContact OE1-CE2 3.2Å; P197-Y245 HydrophobicContact CB-CD1 4.47Å; P197-Y245 HydrophobicContact CB-CE1 4.22Å; S243-Y245 VanDerWaalsContact C-N 3.32Å; S243-Y245 VanDerWaalsContact CB-CE1 3.46Å; S243-Y245 PolarHBondContact O-N 2.9Å; Y245-M319 HydrophobicContact CD2-CE 3.66Å; Y245-M319 HydrophobicContact CE2-CE 3.88Å; Y245-G361 PolarHBondContact OH-O 3.47Å; Y245-T365 HydrophobicContact CE1-CG2 3.98Å; Y245-W369 HydrophobicContact CD1-CH2 4.11Å; Y245-W369 HydrophobicContact CD1-CZ2 4.45Å; Y245-W369 HydrophobicContact CE1-CH2 4.36Å; Y245-W369 HydrophobicContact CG-CH2 4.21Å; Y245-N375 PolarHBondContact OH-ND2 3.11Å
246	L	98.9	Very high	98.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-90	-7.6	178.6	-63.2	173.1	0	0	0	113.6	N218 M242 S243 T244 A248 M319 E320 N362	N218-L246 PolarHBondContact ND2-O 2.87Å; M242-L246 HydrophobicContact CB-CD1 4.37Å; M242-L246 HydrophobicContact SD-CB 4.38Å; S243-L246 PolarHBondContact O-N 3.15Å; T244-L246 PolarHBondContact O-N 2.68Å; L246-A248 PolarHBondContact O-N 3.48Å; L246-M319 HydrophobicContact CD2-CE 4.06Å; L246-E320 HydrophobicContact CD2-CG 3.75Å; L246-N362 HydrophobicContact CD1-CB 4.14Å; L246-N362 WeakPolarHBondContact CD1-OD1 3.27Å; L246-N362 WeakPolarHBondContact CD2-OD1 3.39Å
247	V	98.9	Very high	98.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.			trans	-63.6	132.9	173	177.2	0	0	0	0	108.7	L65 F182 F191 F203 I205 N218 M242 T244 F249	L65-V247 HydrophobicContact CD1-CG1 4.19Å; F182-V247 HydrophobicContact CD2-CB 4.09Å; F182-V247 WeakPolarHBondContact CD2-O 3.33Å; F182-V247 HydrophobicContact CE2-CB 3.94Å; F182-V247 HydrophobicContact CE2-CG1 3.99Å; F182-V247 WeakPolarHBondContact CE2-O 3.49Å; F191-V247 HydrophobicContact CE1-CB 4.23Å; F191-V247 HydrophobicContact CE1-CG1 3.99Å; F191-V247 HydrophobicContact CZ-CB 4.15Å; F191-V247 HydrophobicContact CZ-CG1 4.22Å; F191-V247 HydrophobicContact CZ-CG2 3.99Å; F203-V247 HydrophobicContact CD1-CG2 3.64Å; F203-V247 HydrophobicContact CD2-CG2 4.03Å; F203-V247 HydrophobicContact CE1-CG2 3.6Å; F203-V247 HydrophobicContact CE2-CG2 3.99Å; F203-V247 HydrophobicContact CG-CG2 3.88Å; F203-V247 HydrophobicContact CZ-CG2 3.79Å; I205-V247 HydrophobicContact CD1-CG1 3.91Å; N218-V247 WeakPolarHBondContact OD1-CA 3.33Å; M242-V247 HydrophobicContact CE-CB 4.29Å; M242-V247 HydrophobicContact CE-CG2 3.64Å; T244-V247 WeakPolarHBondContact O-CB 3.26Å; T244-V247 WeakPolarHBondContact O-CG2 3.44Å; T244-V247 PolarHBondContact O-N 3.49Å; T244-V247 VanDerWaalsContact O-N 3.17Å; V247-F249 HydrophobicContact CG1-CD1 4.21Å; V247-F249 HydrophobicContact CG1-CE1 4.11Å
248	A	98.9	Very high	98.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.			trans	-141.8	144.6	176.5	0	0	0	0	0	112.3	T180 S217 N218 L246 N321 L324	T180-A248 VanDerWaalsContact OG1-CA 3.28Å; T180-A248 WeakPolarHBondContact OG1-CA 3.28Å; S217-A248 VanDerWaalsContact CA-O 3.28Å; S217-A248 WeakPolarHBondContact CA-O 3.41Å; S217-A248 WeakPolarHBondContact CB-O 3.15Å; S217-A248 PolarHBondContact OG-O 3Å; N218-A248 PolarHBondContact N-O 2.86Å; N218-A248 PolarHBondContact OD1-N 3.4Å; N218-A248 PolarHBondContact OD1-O 3.03Å; L246-A248 PolarHBondContact O-N 3.48Å; A248-N321 HydrophobicContact CB-CB 3.55Å; A248-L324 HydrophobicContact CB-CB 4.46Å; A248-L324 HydrophobicContact CB-CD2 4.14Å; A248-L324 HydrophobicContact CB-CG 4.44Å
249	F	98.9	Very high	98.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	137	169.2	44.3	-94.4	0	0	0	111.2	I67 F162 T180 F182 A190 I205 I207 I216 V247	I67-F249 HydrophobicContact CD1-CZ 4.36Å; I67-F249 HydrophobicContact CG1-CE1 4.33Å; I67-F249 HydrophobicContact CG1-CE2 4.18Å; I67-F249 HydrophobicContact CG1-CZ 3.89Å; I67-F249 HydrophobicContact CG2-CE2 4.19Å; F162-F249 HydrophobicContact CD1-CE2 4.04Å; F162-F249 HydrophobicContact CD2-CD2 4.11Å; F162-F249 AromaticContact CD2-CE2 3.62Å; F162-F249 HydrophobicContact CD2-CE2 3.62Å; F162-F249 HydrophobicContact CE1-CE2 4.05Å; F162-F249 AromaticContact CE2-CD2 3.79Å; F162-F249 HydrophobicContact CE2-CD2 3.79Å; F162-F249 AromaticContact CE2-CE2 3.64Å; F162-F249 HydrophobicContact CE2-CE2 3.64Å; F162-F249 AromaticContact CG-CE2 3.83Å; F162-F249 HydrophobicContact CG-CE2 3.83Å; F162-F249 HydrophobicContact CZ-CD2 4.14Å; F162-F249 AromaticContact CZ-CE2 3.87Å; F162-F249 HydrophobicContact CZ-CE2 3.87Å; T180-F249 HydrophobicContact CG2-CD1 4.25Å; T180-F249 HydrophobicContact CG2-CD2 3.66Å; T180-F249 HydrophobicContact CG2-CE1 4.13Å; T180-F249 HydrophobicContact CG2-CE2 3.54Å; T180-F249 HydrophobicContact CG2-CG 4.03Å; T180-F249 HydrophobicContact CG2-CZ 3.79Å; T180-F249 WeakPolarHBondContact CG2-O 3.16Å; T180-F249 PolarHBondContact OG1-N 3.47Å; T180-F249 PolarHBondContact OG1-O 2.96Å; F182-F249 HydrophobicContact CE2-CE1 4.32Å; F182-F249 HydrophobicContact CZ-CE1 4.13Å; F182-F249 HydrophobicContact CZ-CZ 4.07Å; A190-F249 HydrophobicContact CB-CZ 4.3Å; I205-F249 HydrophobicContact CG2-CD1 4.45Å; I207-F249 HydrophobicContact CD1-CB 3.86Å; I207-F249 HydrophobicContact CD1-CD1 4.44Å; I207-F249 HydrophobicContact CD1-CD2 4.02Å; I207-F249 HydrophobicContact CD1-CG 3.85Å; I207-F249 HydrophobicContact CG1-CB 4.33Å; I216-F249 CarbonylContact O-C 3.37Å; I216-F249 VanDerWaalsContact O-CA 3.27Å; I216-F249 WeakPolarHBondContact O-CA 2.97Å; V247-F249 HydrophobicContact CG1-CD1 4.21Å; V247-F249 HydrophobicContact CG1-CE1 4.11Å
250	I	98.9	Very high	98.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	137	-178	-57.7	170.3	0	0	0	108.3	L177 A178 A215 I216 F254 A309 I311 L324 T326	L177-I250 HydrophobicContact CD1-CG2 4.38Å; A178-I250 CarbonylContact O-C 3.58Å; A178-I250 WeakPolarHBondContact O-CA 3.22Å; A215-I250 VanDerWaalsContact CA-O 3.3Å; A215-I250 WeakPolarHBondContact CA-O 3.33Å; I216-I250 HydrophobicContact CD1-CB 4.44Å; I216-I250 HydrophobicContact CD1-CD1 4.28Å; I216-I250 HydrophobicContact CG1-CB 3.87Å; I216-I250 HydrophobicContact CG1-CD1 4.41Å; I216-I250 PolarHBondContact N-O 2.83Å; I216-I250 PolarHBondContact O-N 3.36Å; I250-F254 HydrophobicContact CG2-CE2 4.47Å; I250-A309 HydrophobicContact CD1-CB 3.84Å; I250-I311 HydrophobicContact CD1-CD1 3.77Å; I250-L324 HydrophobicContact CD1-CD1 4.19Å; I250-L324 HydrophobicContact CD1-CD2 4.13Å; I250-L324 HydrophobicContact CD1-CG 4.3Å; I250-L324 HydrophobicContact CG1-CD2 4.25Å; I250-T326 HydrophobicContact CD1-CG2 3.95Å
251	I	98.9	Very high	98.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	110.9	171.2	-57.4	168.7	0	0	0	107.2	A69 L71 F162 L177 A178 I207 R209 H213 L214	A69-I251 HydrophobicContact CB-CD1 3.65Å; L71-I251 HydrophobicContact CD1-CB 4.34Å; L71-I251 HydrophobicContact CD1-CG2 3.97Å; L71-I251 HydrophobicContact CD2-CG2 4.06Å; F162-I251 HydrophobicContact CZ-CD1 4.21Å; L177-I251 CarbonylContact C-O 3.58Å; L177-I251 VanDerWaalsContact CA-O 3.31Å; L177-I251 WeakPolarHBondContact CA-O 3.3Å; L177-I251 WeakPolarHBondContact CB-O 3.39Å; A178-I251 PolarHBondContact N-O 3.45Å; A178-I251 PolarHBondContact O-N 2.93Å; I207-I251 HydrophobicContact CG2-CD1 3.59Å; I207-I251 HydrophobicContact CG2-CG1 3.75Å; R209-I251 HydrophobicContact CB-CG2 4.31Å; H213-I251 HydrophobicContact CB-CG2 3.82Å; L214-I251 WeakPolarHBondContact O-CA 3.33Å
252	S	98.7	Very high	98.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-174.4	-173.9	68.6	0	0	0	0	111.2	H213 L214 F254	H213-S252 CarbonylContact C-O 3.54Å; H213-S252 VanDerWaalsContact CA-O 3.28Å; H213-S252 WeakPolarHBondContact CA-O 3.41Å; H213-S252 WeakPolarHBondContact CB-O 3.17Å; L214-S252 PolarHBondContact N-O 3.42Å; L214-S252 PolarHBondContact O-N 2.86Å; L214-S252 VanDerWaalsContact O-N 3.14Å; S252-F254 WeakPolarHBondContact OG-CB 3.32Å; S252-F254 WeakPolarHBondContact OG-CD2 3.5Å; S252-F254 WeakPolarHBondContact OG-CG 3.47Å; S252-F254 PolarHBondContact OG-N 3.49Å
253	D	98.4	Very high	98.7	Very high	32 Å²	32	31.6 Å²	31.6	17%	0.171	17%	0.169	C	C	.	.			trans	-118	33.6	169.6	55.3	-17.8	0	0	0	111	Y167 R175 P273	Y167-D253 WeakPolarHBondContact CE1-OD1 3.26Å; Y167-D253 VanDerWaalsContact OH-CG 3.22Å; Y167-D253 PolarHBondContact OH-OD1 3.31Å; Y167-D253 PolarHBondContact OH-OD2 2.99Å; Y167-D253 VanDerWaalsContact OH-OD2 3.12Å; R175-D253 WeakPolarHBondContact CD-OD2 3.26Å; R175-D253 IonicContact CZ-OD2 3.17Å; R175-D253 IonicContact NE-OD2 3.47Å; R175-D253 IonicContact NH1-OD2 3.3Å; R175-D253 PolarHBondContact NH1-OD2 3.06Å; D253-P273 WeakPolarHBondContact O-CG 3.29Å
254	F	98.8	Very high	98.6	Very high	12 Å²	12	34 Å²	34	5%	0.053	19%	0.194	C	C	.	.			trans	-66.2	146.2	178.4	-69	-10.9	0	0	0	113.1	L177 I250 S252 Y270 A271 V272 I311	L177-F254 HydrophobicContact CD1-CZ 3.91Å; L177-F254 HydrophobicContact CD2-CE1 4Å; L177-F254 HydrophobicContact CD2-CZ 4.09Å; I250-F254 HydrophobicContact CG2-CE2 4.47Å; S252-F254 WeakPolarHBondContact OG-CB 3.32Å; S252-F254 WeakPolarHBondContact OG-CD2 3.5Å; S252-F254 WeakPolarHBondContact OG-CG 3.47Å; S252-F254 PolarHBondContact OG-N 3.49Å; F254-Y270 HydrophobicContact CB-CD1 4.11Å; F254-A271 VanDerWaalsContact CA-O 3.29Å; F254-A271 WeakPolarHBondContact CA-O 3.4Å; F254-A271 VanDerWaalsContact CB-O 3.27Å; F254-A271 WeakPolarHBondContact CB-O 3.39Å; F254-V272 HydrophobicContact CD1-CG1 4.09Å; F254-V272 HydrophobicContact CE1-CG1 3.64Å; F254-I311 HydrophobicContact CE2-CD1 4.13Å
255	E	98.7	Very high	98.6	Very high	104 Å²	104	34.3 Å²	34.3	49%	0.486	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	168.8	165.1	-71.2	-173.3	-179.7	0	0	110.5	Y270 A271 P273 I276	E255-Y270 WeakPolarHBondContact O-CA 3.41Å; E255-A271 PolarHBondContact N-O 2.89Å; E255-A271 PolarHBondContact O-N 2.93Å; E255-A271 VanDerWaalsContact O-N 3.16Å; E255-P273 HydrophobicContact CG-CB 4.1Å; E255-P273 HydrophobicContact CG-CG 4.13Å; E255-I276 HydrophobicContact CB-CB 4.25Å; E255-I276 HydrophobicContact CB-CG1 4.09Å; E255-I276 HydrophobicContact CB-CG2 4.38Å
256	S	98.8	Very high	98.6	Very high	52 Å²	52	38.3 Å²	38.3	36%	0.364	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.2	179.3	60.5	0	0	0	0	113.7	V269 Y270	S256-V269 WeakPolarHBondContact CA-O 3.45Å; S256-V269 WeakPolarHBondContact CB-O 3.44Å; S256-Y270 VanDerWaalsContact CB-CE1 3.46Å
257	V	98.8	Very high	98.6	Very high	39 Å²	39	38.4 Å²	38.4	24%	0.236	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146.8	163.4	-71.7	0	0	0	0	108.9	S268 V269 I276 A279 L283	V257-S268 CarbonylContact O-C 3.55Å; V257-S268 VanDerWaalsContact O-CA 3.22Å; V257-S268 WeakPolarHBondContact O-CA 3.24Å; V257-V269 HydrophobicContact CG2-CB 4.14Å; V257-V269 PolarHBondContact N-O 3.14Å; V257-V269 VanDerWaalsContact N-O 3.1Å; V257-V269 PolarHBondContact O-N 2.77Å; V257-I276 HydrophobicContact CG1-CG1 4.24Å; V257-I276 HydrophobicContact CG2-CD1 4.36Å; V257-A279 HydrophobicContact CG2-CB 3.6Å; V257-L283 HydrophobicContact CB-CD2 4.01Å; V257-L283 HydrophobicContact CG2-CD2 3.88Å
258	S	98.8	Very high	98.6	Very high	56 Å²	56	38.4 Å²	38.4	39%	0.392	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.1	-176.1	-56.7	0	0	0	0	113.3	K266 V267 S268	S258-K266 VanDerWaalsContact CB-CE 3.46Å; S258-K266 WeakPolarHBondContact OG-CE 3.33Å; S258-K266 PolarHBondContact OG-NZ 3.05Å; S258-V267 CarbonylContact C-O 3.59Å; S258-V267 WeakPolarHBondContact CA-O 3.16Å; S258-V267 WeakPolarHBondContact CB-O 3.3Å; S258-S268 PolarHBondContact OG-OG 2.55Å
259	K	98.8	Very high	98.6	Very high	80 Å²	80	38.4 Å²	38.4	35%	0.348	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152.7	175.5	-170.3	174.2	-179.7	-172.2	0	108.7	V267 L283 D284 V287	K259-V267 PolarHBondContact N-O 3.39Å; K259-V267 PolarHBondContact O-N 3.18Å; K259-V267 VanDerWaalsContact O-O 3.07Å; K259-L283 HydrophobicContact CB-CD1 3.88Å; K259-L283 HydrophobicContact CB-CD2 3.98Å; K259-L283 HydrophobicContact CB-CG 3.89Å; K259-D284 IonicContact NZ-OD1 2.77Å; K259-D284 PolarHBondContact NZ-OD1 2.65Å; K259-V287 HydrophobicContact CB-CG2 3.96Å; K259-V287 HydrophobicContact CD-CB 4.37Å; K259-V287 HydrophobicContact CD-CG1 4.43Å; K259-V287 HydrophobicContact CD-CG2 3.98Å; K259-V287 HydrophobicContact CG-CG2 4Å
260	I	98.8	Very high	98.7	Very high	100 Å²	100	39.5 Å²	39.5	51%	0.513	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.9	-179.5	-46.8	-58.5	0	0	0	108.6	V265 K266	I260-V265 WeakPolarHBondContact CA-O 3.38Å; I260-K266 HydrophobicContact CD1-CB 3.74Å; I260-K266 HydrophobicContact CD1-CG 3.72Å
261	T	98.7	Very high	98.6	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.043	22%	0.218	C	C	.	.			trans	-72.5	164.9	172	62.8	0	0	0	0	111.8	S263 G264 V265 V267 V287 L290 E291	T261-S263 PolarHBondContact O-N 3.34Å; T261-S263 PolarHBondContact OG1-N 3.29Å; T261-S263 PolarHBondContact OG1-OG 2.9Å; T261-G264 PolarHBondContact O-N 2.97Å; T261-G264 PolarHBondContact OG1-N 3.32Å; T261-V265 HydrophobicContact CG2-CB 4.19Å; T261-V265 PolarHBondContact N-O 3.39Å; T261-V265 WeakPolarHBondContact OG1-CB 3.39Å; T261-V265 PolarHBondContact OG1-N 2.82Å; T261-V265 PolarHBondContact OG1-O 3.02Å; T261-V267 HydrophobicContact CG2-CG2 3.94Å; T261-V287 HydrophobicContact CG2-CG1 4.29Å; T261-V287 HydrophobicContact CG2-CG2 4.46Å; T261-L290 HydrophobicContact CG2-CD2 4.09Å; T261-E291 VanDerWaalsContact CA-OE1 3.23Å; T261-E291 WeakPolarHBondContact CA-OE1 3.45Å; T261-E291 HydrophobicContact CG2-CG 4.09Å
262	K	98	Very high	98.6	Very high	117 Å²	117	39.6 Å²	39.6	51%	0.509	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.6	169	75.9	-167.3	177.7	-163.7	0	113.6	E291 D295	K262-E291 HydrophobicContact CD-CB 4.3Å; K262-E291 HydrophobicContact CD-CG 4Å; K262-E291 HydrophobicContact CG-CG 3.96Å; K262-E291 PolarHBondContact N-OE1 2.88Å; K262-E291 PolarHBondContact NZ-O 2.91Å; K262-D295 WeakPolarHBondContact CE-OD1 3.44Å; K262-D295 IonicContact NZ-OD1 3.66Å; K262-D295 PolarHBondContact NZ-OD1 3.16Å; K262-D295 IonicContact NZ-OD2 3.65Å; K262-D295 PolarHBondContact NZ-OD2 2.96Å
263	S	96.9	Very high	98.6	Very high	60 Å²	60	41.4 Å²	41.4	42%	0.42	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-10	176.6	47.1	0	0	0	0	113.6	T261 E294	T261-S263 PolarHBondContact O-N 3.34Å; T261-S263 PolarHBondContact OG1-N 3.29Å; T261-S263 PolarHBondContact OG1-OG 2.9Å; S263-E294 WeakPolarHBondContact CB-OE2 3.39Å; S263-E294 PolarHBondContact OG-OE2 2.82Å
264	G	98.4	Very high	98.6	Very high	51 Å²	51	42 Å²	42	53%	0.526	23%	0.234	S	C	.	.			trans	93.9	5	178.4	0	0	0	0	0	115.1	T261	T261-G264 PolarHBondContact O-N 2.97Å; T261-G264 PolarHBondContact OG1-N 3.32Å
265	V	98.8	Very high	98.6	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.042	24%	0.244	C	C	.	.			trans	-71.8	128.5	176.5	-176.1	0	0	0	0	109.2	I260 T261 V267 L290 Y301	I260-V265 WeakPolarHBondContact CA-O 3.38Å; T261-V265 HydrophobicContact CG2-CB 4.19Å; T261-V265 PolarHBondContact N-O 3.39Å; T261-V265 WeakPolarHBondContact OG1-CB 3.39Å; T261-V265 PolarHBondContact OG1-N 2.82Å; T261-V265 PolarHBondContact OG1-O 3.02Å; V265-V267 PolarHBondContact O-N 3.45Å; V265-L290 HydrophobicContact CB-CD2 4.34Å; V265-L290 HydrophobicContact CG1-CD2 4.02Å; V265-Y301 HydrophobicContact CG1-CD1 3.83Å; V265-Y301 HydrophobicContact CG1-CE1 3.96Å; V265-Y301 HydrophobicContact CG2-CD1 3.92Å
266	K	98.9	Very high	98.6	Very high	86 Å²	86	40.4 Å²	40.4	37%	0.374	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.6	172.5	-176.6	-175.2	178.2	-160.2	0	110	S258 I260 P304 K305 Q306	S258-K266 VanDerWaalsContact CB-CE 3.46Å; S258-K266 WeakPolarHBondContact OG-CE 3.33Å; S258-K266 PolarHBondContact OG-NZ 3.05Å; I260-K266 HydrophobicContact CD1-CB 3.74Å; I260-K266 HydrophobicContact CD1-CG 3.72Å; K266-P304 PolarHBondContact N-O 3.13Å; K266-K305 HydrophobicContact CB-CB 4.12Å; K266-K305 CarbonylContact O-C 3.53Å; K266-K305 WeakPolarHBondContact O-CA 3.01Å; K266-K305 VanDerWaalsContact O-CB 3.27Å; K266-K305 WeakPolarHBondContact O-CB 3.15Å; K266-Q306 PolarHBondContact O-N 2.99Å
267	V	98.9	Very high	98.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.8	170.4	-174.7	0	0	0	0	109	S258 K259 T261 V265 L283 A286 V287 L290 Q306 L308	S258-V267 CarbonylContact C-O 3.59Å; S258-V267 WeakPolarHBondContact CA-O 3.16Å; S258-V267 WeakPolarHBondContact CB-O 3.3Å; K259-V267 PolarHBondContact N-O 3.39Å; K259-V267 PolarHBondContact O-N 3.18Å; K259-V267 VanDerWaalsContact O-O 3.07Å; T261-V267 HydrophobicContact CG2-CG2 3.94Å; V265-V267 PolarHBondContact O-N 3.45Å; V267-L283 HydrophobicContact CB-CD1 4.25Å; V267-L283 HydrophobicContact CG1-CD1 3.94Å; V267-A286 HydrophobicContact CG1-CB 3.98Å; V267-V287 HydrophobicContact CB-CG2 3.78Å; V267-V287 HydrophobicContact CG1-CG2 4.25Å; V267-V287 HydrophobicContact CG2-CG2 3.75Å; V267-L290 HydrophobicContact CG2-CD2 4.07Å; V267-Q306 VanDerWaalsContact CA-O 3.28Å; V267-Q306 WeakPolarHBondContact CA-O 3.41Å; V267-L308 HydrophobicContact CG1-CD1 3.64Å
268	S	98.9	Very high	98.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.9	173.8	-29.9	0	0	0	0	111.3	V257 S258 Q306 D307 L308	V257-S268 CarbonylContact O-C 3.55Å; V257-S268 VanDerWaalsContact O-CA 3.22Å; V257-S268 WeakPolarHBondContact O-CA 3.24Å; S258-S268 PolarHBondContact OG-OG 2.55Å; S268-Q306 PolarHBondContact N-O 2.96Å; S268-D307 WeakPolarHBondContact CB-OD1 3.32Å; S268-D307 CarbonylContact O-C 3.58Å; S268-D307 VanDerWaalsContact O-CA 3.3Å; S268-D307 WeakPolarHBondContact O-CA 3.35Å; S268-D307 PolarHBondContact OG-OD1 3.49Å; S268-L308 PolarHBondContact O-N 2.9Å
269	V	98.9	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.8	167.5	-179.1	0	0	0	0	108.6	S256 V257 A279 A282 L283 L308 L332	S256-V269 WeakPolarHBondContact CA-O 3.45Å; S256-V269 WeakPolarHBondContact CB-O 3.44Å; V257-V269 HydrophobicContact CG2-CB 4.14Å; V257-V269 PolarHBondContact N-O 3.14Å; V257-V269 VanDerWaalsContact N-O 3.1Å; V257-V269 PolarHBondContact O-N 2.77Å; V269-A279 HydrophobicContact CB-CB 3.88Å; V269-A279 HydrophobicContact CG1-CB 3.51Å; V269-A282 HydrophobicContact CG2-CB 4.31Å; V269-L283 HydrophobicContact CG2-CB 3.81Å; V269-L283 HydrophobicContact CG2-CD1 4.21Å; V269-L308 CarbonylContact C-O 3.52Å; V269-L308 WeakPolarHBondContact CA-O 3.38Å; V269-L308 HydrophobicContact CG2-CB 4.28Å; V269-L332 HydrophobicContact CG1-CD2 3.82Å; V269-L332 HydrophobicContact CG1-CG 4.3Å
270	Y	98.9	Very high	98.5	Very high	23 Å²	23	41.5 Å²	41.5	9%	0.09	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.7	178.7	-78.8	-91.9	0	0	0	110.9	L214 I216 F254 E255 S256 D307 L308 A310	L214-Y270 HydrophobicContact CD2-CD1 4.3Å; L214-Y270 HydrophobicContact CD2-CE1 3.55Å; I216-Y270 HydrophobicContact CD1-CD1 4.14Å; I216-Y270 HydrophobicContact CD1-CD2 4.05Å; I216-Y270 HydrophobicContact CD1-CE1 4.39Å; I216-Y270 HydrophobicContact CD1-CE2 4.3Å; I216-Y270 HydrophobicContact CD1-CG 3.97Å; I216-Y270 HydrophobicContact CG2-CE1 4.23Å; F254-Y270 HydrophobicContact CB-CD1 4.11Å; E255-Y270 WeakPolarHBondContact O-CA 3.41Å; S256-Y270 VanDerWaalsContact CB-CE1 3.46Å; Y270-D307 HydrophobicContact CD2-CB 4.06Å; Y270-D307 HydrophobicContact CE2-CB 4.07Å; Y270-L308 PolarHBondContact N-O 3.38Å; Y270-A310 PolarHBondContact O-N 2.71Å
271	A	98.8	Very high	98.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	169.5	176.6	0	0	0	0	0	111.3	F254 E255 I276 A310 L333	F254-A271 VanDerWaalsContact CA-O 3.29Å; F254-A271 WeakPolarHBondContact CA-O 3.4Å; F254-A271 VanDerWaalsContact CB-O 3.27Å; F254-A271 WeakPolarHBondContact CB-O 3.39Å; E255-A271 PolarHBondContact N-O 2.89Å; E255-A271 PolarHBondContact O-N 2.93Å; E255-A271 VanDerWaalsContact O-N 3.16Å; A271-I276 HydrophobicContact CB-CD1 4.01Å; A271-A310 HydrophobicContact CB-CB 4.3Å; A271-L333 HydrophobicContact CB-CD1 4.38Å; A271-L333 HydrophobicContact CB-CD2 4.12Å
272	V	98.7	Very high	98.6	Very high	3 Å²	3	38 Å²	38	2%	0.018	20%	0.204	C	C	.	.			trans	-56.3	141.3	167.2	-62.1	0	0	0	0	110.2	Y167 F254 D274 K275 I276 P312	Y167-V272 HydrophobicContact CD1-CG1 3.53Å; Y167-V272 HydrophobicContact CD2-CB 4.07Å; Y167-V272 HydrophobicContact CD2-CG1 3.73Å; Y167-V272 HydrophobicContact CE1-CB 4.44Å; Y167-V272 HydrophobicContact CE1-CG1 3.67Å; Y167-V272 HydrophobicContact CE2-CB 3.92Å; Y167-V272 HydrophobicContact CE2-CG1 3.87Å; Y167-V272 HydrophobicContact CG-CB 4.4Å; Y167-V272 HydrophobicContact CG-CG1 3.56Å; F254-V272 HydrophobicContact CD1-CG1 4.09Å; F254-V272 HydrophobicContact CE1-CG1 3.64Å; V272-D274 PolarHBondContact O-N 2.72Å; V272-K275 HydrophobicContact CG2-CB 3.85Å; V272-K275 HydrophobicContact CG2-CD 3.68Å; V272-K275 HydrophobicContact CG2-CG 3.7Å; V272-K275 PolarHBondContact O-N 3.02Å; V272-I276 PolarHBondContact O-N 3.31Å; V272-P312 HydrophobicContact CG1-CG 4.01Å
273	P	98.5	Very high	98.6	Very high	40 Å²	40	33 Å²	33	26%	0.26	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-52.1	-38.3	-174	-27.3	32.6	0	0	0	113.6	D253 E255 K275 I276	D253-P273 WeakPolarHBondContact O-CG 3.29Å; E255-P273 HydrophobicContact CG-CB 4.1Å; E255-P273 HydrophobicContact CG-CG 4.13Å; P273-K275 PolarHBondContact O-N 3.35Å; P273-K275 VanDerWaalsContact O-N 3.15Å; P273-I276 WeakPolarHBondContact O-CG2 3.46Å
274	D	98.3	Very high	98.7	Very high	43 Å²	43	33.8 Å²	33.8	23%	0.23	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-67.4	-13.6	-178.5	-85.5	-37	0	0	0	115.6	T169 K170 V272	T169-D274 VanDerWaalsContact CA-OD2 3.31Å; T169-D274 WeakPolarHBondContact CA-OD2 3.33Å; K170-D274 WeakPolarHBondContact CD-OD1 3.22Å; K170-D274 WeakPolarHBondContact CE-OD1 3.5Å; K170-D274 HydrophobicContact CG-CB 4.5Å; K170-D274 PolarHBondContact N-OD2 3.02Å; K170-D274 PolarHBondContact NZ-O 3.05Å; K170-D274 IonicContact NZ-OD1 3.93Å; K170-D274 PolarHBondContact NZ-OD1 3.1Å; V272-D274 PolarHBondContact O-N 2.72Å
275	K	98.4	Very high	98.7	Very high	62 Å²	62	31.4 Å²	31.4	27%	0.27	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-124.5	2.5	-176.2	-58	178.5	-172.1	162.2	0	114.1	V272 P273 N277 Q278 E329 L333	V272-K275 HydrophobicContact CG2-CB 3.85Å; V272-K275 HydrophobicContact CG2-CD 3.68Å; V272-K275 HydrophobicContact CG2-CG 3.7Å; V272-K275 PolarHBondContact O-N 3.02Å; P273-K275 PolarHBondContact O-N 3.35Å; P273-K275 VanDerWaalsContact O-N 3.15Å; K275-N277 PolarHBondContact O-N 2.85Å; K275-N277 VanDerWaalsContact O-N 3.11Å; K275-Q278 WeakPolarHBondContact O-CB 3.23Å; K275-Q278 PolarHBondContact O-N 3.27Å; K275-E329 IonicContact NZ-OE1 3.76Å; K275-E329 PolarHBondContact NZ-OE1 2.81Å; K275-E329 IonicContact NZ-OE2 3.87Å; K275-E329 PolarHBondContact NZ-OE2 3.5Å; K275-L333 HydrophobicContact CB-CD1 3.92Å; K275-L333 HydrophobicContact CD-CD1 4.08Å
276	I	98.5	Very high	98.7	Very high	22 Å²	22	31.1 Å²	31.1	11%	0.113	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-60.8	-24.8	-177.3	-167.1	58.3	0	0	0	112.9	E255 V257 A271 V272 P273 Q278 A279	E255-I276 HydrophobicContact CB-CB 4.25Å; E255-I276 HydrophobicContact CB-CG1 4.09Å; E255-I276 HydrophobicContact CB-CG2 4.38Å; V257-I276 HydrophobicContact CG1-CG1 4.24Å; V257-I276 HydrophobicContact CG2-CD1 4.36Å; A271-I276 HydrophobicContact CB-CD1 4.01Å; V272-I276 PolarHBondContact O-N 3.31Å; P273-I276 WeakPolarHBondContact O-CG2 3.46Å; I276-Q278 PolarHBondContact O-N 3.22Å; I276-Q278 VanDerWaalsContact O-N 3.13Å; I276-A279 HydrophobicContact CD1-CB 4.03Å; I276-A279 WeakPolarHBondContact O-CB 3.38Å; I276-A279 PolarHBondContact O-N 2.81Å; I276-A279 VanDerWaalsContact O-N 3.13Å
277	N	98.2	Very high	98.7	Very high	115 Å²	115	27.3 Å²	27.3	62%	0.615	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-67	-4	172.9	69.6	-30.5	0	0	0	115.1	K275	K275-N277 PolarHBondContact O-N 2.85Å; K275-N277 VanDerWaalsContact O-N 3.11Å
278	Q	98.6	Very high	98.7	Very high	44 Å²	44	29.9 Å²	29.9	21%	0.206	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-101	1.8	174.6	-62.5	173.3	38.6	0	0	112.3	K275 I276 L333 F334 D335	K275-Q278 WeakPolarHBondContact O-CB 3.23Å; K275-Q278 PolarHBondContact O-N 3.27Å; I276-Q278 PolarHBondContact O-N 3.22Å; I276-Q278 VanDerWaalsContact O-N 3.13Å; Q278-L333 HydrophobicContact CB-CB 3.89Å; Q278-L333 HydrophobicContact CB-CD2 4.47Å; Q278-F334 WeakPolarHBondContact CA-O 3.44Å; Q278-F334 WeakPolarHBondContact CB-O 3.42Å; Q278-F334 PolarHBondContact O-N 2.9Å; Q278-D335 HydrophobicContact CG-CB 4.27Å
279	A	98.7	Very high	98.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.			trans	-84	-22.4	-174.2	0	0	0	0	0	114.5	V257 V269 I276 Y281 A282 L283	V257-A279 HydrophobicContact CG2-CB 3.6Å; V269-A279 HydrophobicContact CB-CB 3.88Å; V269-A279 HydrophobicContact CG1-CB 3.51Å; I276-A279 HydrophobicContact CD1-CB 4.03Å; I276-A279 WeakPolarHBondContact O-CB 3.38Å; I276-A279 PolarHBondContact O-N 2.81Å; I276-A279 VanDerWaalsContact O-N 3.13Å; A279-Y281 VanDerWaalsContact C-N 3.29Å; A279-Y281 PolarHBondContact O-N 2.88Å; A279-A282 PolarHBondContact O-N 3.23Å; A279-A282 VanDerWaalsContact O-N 3.1Å; A279-L283 PolarHBondContact O-N 2.7Å
280	D	98.8	Very high	98.7	Very high	90 Å²	90	30 Å²	30	48%	0.481	16%	0.157	S	C	.	.	H	α-helix	trans	-57.1	-39.4	-169.6	-66	-24.6	0	0	0	113	L283 D284	D280-L283 PolarHBondContact O-N 3.33Å; D280-D284 PolarHBondContact O-N 3.15Å
281	Y	98.8	Very high	98.7	Very high	34 Å²	34	30.9 Å²	30.9	13%	0.133	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-45.2	178.3	-178.6	-115.6	0	0	0	112.6	A279 L283 D284 A285 F334 K344 I347 T348	A279-Y281 VanDerWaalsContact C-N 3.29Å; A279-Y281 PolarHBondContact O-N 2.88Å; Y281-L283 VanDerWaalsContact C-N 3.33Å; Y281-D284 PolarHBondContact O-N 3.49Å; Y281-A285 VanDerWaalsContact O-CB 3.32Å; Y281-A285 WeakPolarHBondContact O-CB 3.47Å; Y281-A285 PolarHBondContact O-N 3.44Å; Y281-F334 HydrophobicContact CD1-CB 4.05Å; Y281-F334 HydrophobicContact CD1-CG 4.14Å; Y281-F334 HydrophobicContact CG-CB 4.29Å; Y281-F334 HydrophobicContact CG-CD1 4.3Å; Y281-F334 HydrophobicContact CG-CG 4.31Å; Y281-K344 HydrophobicContact CD1-CG 4.26Å; Y281-K344 HydrophobicContact CE1-CD 4.42Å; Y281-K344 HydrophobicContact CE1-CG 3.54Å; Y281-K344 HydrophobicContact CE2-CD 4.46Å; Y281-K344 HydrophobicContact CE2-CG 4.4Å; Y281-K344 VanDerWaalsContact OH-CE 3.26Å; Y281-K344 WeakPolarHBondContact OH-CE 3.35Å; Y281-I347 HydrophobicContact CD1-CG2 4.14Å; Y281-I347 HydrophobicContact CE1-CG2 4.26Å; Y281-T348 PolarHBondContact OH-OG1 2.9Å
282	A	98.8	Very high	98.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.7	-34.7	177.4	0	0	0	0	0	111.9	V269 A279 A286 L332 I347	V269-A282 HydrophobicContact CG2-CB 4.31Å; A279-A282 PolarHBondContact O-N 3.23Å; A279-A282 VanDerWaalsContact O-N 3.1Å; A282-A286 WeakPolarHBondContact O-CB 3.35Å; A282-A286 PolarHBondContact O-N 3.09Å; A282-L332 HydrophobicContact CB-CD1 3.57Å; A282-L332 HydrophobicContact CB-CG 3.93Å; A282-L332 WeakPolarHBondContact CB-O 3.48Å; A282-I347 HydrophobicContact CB-CG2 4.48Å
283	L	98.9	Very high	98.7	Very high	11 Å²	11	32 Å²	32	6%	0.058	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-45.9	175.8	-178.8	62.7	0	0	0	111.7	V257 K259 V267 V269 A279 D280 Y281 V287	V257-L283 HydrophobicContact CB-CD2 4.01Å; V257-L283 HydrophobicContact CG2-CD2 3.88Å; K259-L283 HydrophobicContact CB-CD1 3.88Å; K259-L283 HydrophobicContact CB-CD2 3.98Å; K259-L283 HydrophobicContact CB-CG 3.89Å; V267-L283 HydrophobicContact CB-CD1 4.25Å; V267-L283 HydrophobicContact CG1-CD1 3.94Å; V269-L283 HydrophobicContact CG2-CB 3.81Å; V269-L283 HydrophobicContact CG2-CD1 4.21Å; A279-L283 PolarHBondContact O-N 2.7Å; D280-L283 PolarHBondContact O-N 3.33Å; Y281-L283 VanDerWaalsContact C-N 3.33Å; L283-V287 WeakPolarHBondContact O-CG2 3.44Å; L283-V287 PolarHBondContact O-N 2.97Å; L283-V287 VanDerWaalsContact O-N 3.12Å
284	D	98.8	Very high	98.7	Very high	77 Å²	77	30.8 Å²	30.8	41%	0.412	16%	0.157	S	C	.	.	H	α-helix	trans	-68	-42.5	177.7	-82.3	-19.1	0	0	0	112.4	K259 D280 Y281 T288	K259-D284 IonicContact NZ-OD1 2.77Å; K259-D284 PolarHBondContact NZ-OD1 2.65Å; D280-D284 PolarHBondContact O-N 3.15Å; Y281-D284 PolarHBondContact O-N 3.49Å; D284-T288 WeakPolarHBondContact O-CB 2.75Å; D284-T288 PolarHBondContact O-N 3.18Å; D284-T288 VanDerWaalsContact O-N 3.16Å; D284-T288 PolarHBondContact O-OG1 3.33Å
285	A	98.8	Very high	98.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-46.8	175.4	0	0	0	0	0	111.4	Y281 V287 T288 L289	Y281-A285 VanDerWaalsContact O-CB 3.32Å; Y281-A285 WeakPolarHBondContact O-CB 3.47Å; Y281-A285 PolarHBondContact O-N 3.44Å; A285-V287 PolarHBondContact O-N 3.02Å; A285-T288 PolarHBondContact O-N 3.21Å; A285-L289 HydrophobicContact CB-CD1 4.44Å; A285-L289 WeakPolarHBondContact O-CB 3.37Å; A285-L289 WeakPolarHBondContact O-CD1 3.41Å; A285-L289 VanDerWaalsContact O-CG 3.32Å; A285-L289 WeakPolarHBondContact O-CG 3.46Å; A285-L289 PolarHBondContact O-N 3.29Å
286	A	98.9	Very high	98.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-42.6	-178.3	0	0	0	0	0	112.7	V267 A282 L290 L308 V351 L355	V267-A286 HydrophobicContact CG1-CB 3.98Å; A282-A286 WeakPolarHBondContact O-CB 3.35Å; A282-A286 PolarHBondContact O-N 3.09Å; A286-L290 VanDerWaalsContact O-CB 3.23Å; A286-L290 WeakPolarHBondContact O-CB 3.41Å; A286-L290 PolarHBondContact O-N 3Å; A286-L308 HydrophobicContact CB-CD1 4Å; A286-L308 HydrophobicContact CB-CD2 3.73Å; A286-V351 HydrophobicContact CB-CG1 3.82Å; A286-L355 HydrophobicContact CB-CD1 4.03Å; A286-L355 WeakPolarHBondContact O-CD1 3.47Å
287	V	98.9	Very high	98.7	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.036	16%	0.16	C	C	.	.	H	α-helix	trans	-60.4	-47.4	173.8	165	0	0	0	0	110.9	K259 T261 V267 L283 A285 L289 L290 E291	K259-V287 HydrophobicContact CB-CG2 3.96Å; K259-V287 HydrophobicContact CD-CB 4.37Å; K259-V287 HydrophobicContact CD-CG1 4.43Å; K259-V287 HydrophobicContact CD-CG2 3.98Å; K259-V287 HydrophobicContact CG-CG2 4Å; T261-V287 HydrophobicContact CG2-CG1 4.29Å; T261-V287 HydrophobicContact CG2-CG2 4.46Å; V267-V287 HydrophobicContact CB-CG2 3.78Å; V267-V287 HydrophobicContact CG1-CG2 4.25Å; V267-V287 HydrophobicContact CG2-CG2 3.75Å; L283-V287 WeakPolarHBondContact O-CG2 3.44Å; L283-V287 PolarHBondContact O-N 2.97Å; L283-V287 VanDerWaalsContact O-N 3.12Å; A285-V287 PolarHBondContact O-N 3.02Å; V287-L289 PolarHBondContact O-N 2.99Å; V287-L290 PolarHBondContact O-N 3.17Å; V287-E291 WeakPolarHBondContact O-CB 3.25Å; V287-E291 VanDerWaalsContact O-CG 3.3Å; V287-E291 WeakPolarHBondContact O-CG 3.29Å; V287-E291 PolarHBondContact O-N 3.31Å; V287-E291 VanDerWaalsContact O-N 3.08Å
288	T	98.9	Very high	98.7	Very high	56 Å²	56	29.8 Å²	29.8	34%	0.344	16%	0.16	S	C	.	.	H	α-helix	trans	-65.2	-40.5	-177.9	-50.6	0	0	0	0	112.1	D284 A285 F292 T390	D284-T288 WeakPolarHBondContact O-CB 2.75Å; D284-T288 PolarHBondContact O-N 3.18Å; D284-T288 VanDerWaalsContact O-N 3.16Å; D284-T288 PolarHBondContact O-OG1 3.33Å; A285-T288 PolarHBondContact O-N 3.21Å; T288-F292 WeakPolarHBondContact O-CB 3.4Å; T288-F292 PolarHBondContact O-N 3.09Å; T288-F292 VanDerWaalsContact O-N 3.07Å; T288-T390 HydrophobicContact CG2-CG2 3.94Å
289	L	98.9	Very high	98.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-72.2	-41	179.1	-74.8	162.1	0	0	0	112.3	A285 V287 F292 Y293 V351 A352 L355 V387 T390	A285-L289 HydrophobicContact CB-CD1 4.44Å; A285-L289 WeakPolarHBondContact O-CB 3.37Å; A285-L289 WeakPolarHBondContact O-CD1 3.41Å; A285-L289 VanDerWaalsContact O-CG 3.32Å; A285-L289 WeakPolarHBondContact O-CG 3.46Å; A285-L289 PolarHBondContact O-N 3.29Å; V287-L289 PolarHBondContact O-N 2.99Å; L289-F292 WeakPolarHBondContact O-CB 3.46Å; L289-F292 PolarHBondContact O-N 3.2Å; L289-Y293 HydrophobicContact CB-CE2 4.48Å; L289-Y293 WeakPolarHBondContact O-CD2 3Å; L289-Y293 PolarHBondContact O-N 3.31Å; L289-V351 HydrophobicContact CD1-CB 4.37Å; L289-V351 HydrophobicContact CD1-CG1 3.88Å; L289-A352 HydrophobicContact CD1-CB 3.9Å; L289-A352 HydrophobicContact CD2-CB 3.91Å; L289-L355 HydrophobicContact CB-CD1 3.83Å; L289-V387 HydrophobicContact CD2-CG2 4.16Å; L289-T390 HydrophobicContact CD2-CG2 4.11Å; L289-T390 WeakPolarHBondContact CD2-OG1 3.37Å
290	L	98.9	Very high	98.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-44.3	177	-171.3	64.2	0	0	0	111	T261 V265 V267 A286 V287 F292 Y293 E294 Y301 Q306 L355 W359	T261-L290 HydrophobicContact CG2-CD2 4.09Å; V265-L290 HydrophobicContact CB-CD2 4.34Å; V265-L290 HydrophobicContact CG1-CD2 4.02Å; V267-L290 HydrophobicContact CG2-CD2 4.07Å; A286-L290 VanDerWaalsContact O-CB 3.23Å; A286-L290 WeakPolarHBondContact O-CB 3.41Å; A286-L290 PolarHBondContact O-N 3Å; V287-L290 PolarHBondContact O-N 3.17Å; L290-F292 VanDerWaalsContact C-N 3.32Å; L290-F292 PolarHBondContact O-N 2.96Å; L290-Y293 PolarHBondContact O-N 3.19Å; L290-E294 WeakPolarHBondContact O-CG 3.44Å; L290-E294 PolarHBondContact O-N 3.22Å; L290-Y301 HydrophobicContact CD1-CD2 3.87Å; L290-Y301 HydrophobicContact CD1-CG 4.02Å; L290-Y301 HydrophobicContact CD2-CG 4.49Å; L290-Q306 HydrophobicContact CD2-CB 4.41Å; L290-L355 HydrophobicContact CB-CD1 4.33Å; L290-L355 HydrophobicContact CD1-CD2 4.34Å; L290-W359 HydrophobicContact CD1-CH2 3.72Å; L290-W359 HydrophobicContact CD1-CZ3 3.97Å
291	E	98.8	Very high	98.7	Very high	43 Å²	43	29 Å²	29	20%	0.201	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-34.9	174.4	-74.4	-176.4	-172.7	0	0	113.5	T261 K262 V287 D295	T261-E291 VanDerWaalsContact CA-OE1 3.23Å; T261-E291 WeakPolarHBondContact CA-OE1 3.45Å; T261-E291 HydrophobicContact CG2-CG 4.09Å; K262-E291 HydrophobicContact CD-CB 4.3Å; K262-E291 HydrophobicContact CD-CG 4Å; K262-E291 HydrophobicContact CG-CG 3.96Å; K262-E291 PolarHBondContact N-OE1 2.88Å; K262-E291 PolarHBondContact NZ-O 2.91Å; V287-E291 WeakPolarHBondContact O-CB 3.25Å; V287-E291 VanDerWaalsContact O-CG 3.3Å; V287-E291 WeakPolarHBondContact O-CG 3.29Å; V287-E291 PolarHBondContact O-N 3.31Å; V287-E291 VanDerWaalsContact O-N 3.08Å; E291-D295 PolarHBondContact O-N 2.9Å
292	F	98.9	Very high	98.7	Very high	25 Å²	25	29.6 Å²	29.6	11%	0.11	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-45.7	172.8	168.2	-89.6	0	0	0	111.2	T288 L289 L290 D295 Y296 M382 V385 S386 V389 T390	T288-F292 WeakPolarHBondContact O-CB 3.4Å; T288-F292 PolarHBondContact O-N 3.09Å; T288-F292 VanDerWaalsContact O-N 3.07Å; L289-F292 WeakPolarHBondContact O-CB 3.46Å; L289-F292 PolarHBondContact O-N 3.2Å; L290-F292 VanDerWaalsContact C-N 3.32Å; L290-F292 PolarHBondContact O-N 2.96Å; F292-D295 PolarHBondContact O-N 3.31Å; F292-Y296 HydrophobicContact CE1-CD2 4.27Å; F292-Y296 HydrophobicContact CE1-CG 4.07Å; F292-Y296 HydrophobicContact CE2-CD2 4.06Å; F292-Y296 AromaticContact CZ-CD2 3.55Å; F292-Y296 HydrophobicContact CZ-CD2 3.55Å; F292-Y296 HydrophobicContact CZ-CE2 4.23Å; F292-Y296 AromaticContact CZ-CG 3.82Å; F292-Y296 HydrophobicContact CZ-CG 3.82Å; F292-Y296 WeakPolarHBondContact O-CB 3.33Å; F292-Y296 PolarHBondContact O-N 3.32Å; F292-M382 HydrophobicContact CE1-CE 4.33Å; F292-V385 HydrophobicContact CZ-CG1 4.21Å; F292-S386 VanDerWaalsContact CD1-CB 3.46Å; F292-S386 VanDerWaalsContact CE1-CA 3.44Å; F292-S386 VanDerWaalsContact CE1-CB 3.42Å; F292-V389 HydrophobicContact CD2-CB 4.16Å; F292-V389 HydrophobicContact CD2-CG1 3.93Å; F292-V389 HydrophobicContact CE2-CB 3.74Å; F292-V389 HydrophobicContact CE2-CG1 3.77Å; F292-V389 HydrophobicContact CE2-CG2 3.95Å; F292-V389 HydrophobicContact CZ-CG2 4.47Å; F292-T390 HydrophobicContact CB-CG2 3.72Å; F292-T390 HydrophobicContact CD2-CG2 4.26Å; F292-T390 HydrophobicContact CG-CG2 4.02Å
293	Y	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-39.1	-178.2	-70.8	-50.8	0	0	0	112.6	L289 L290 Y296 F297 A352 L355 A356 W359 M382 S386	L289-Y293 HydrophobicContact CB-CE2 4.48Å; L289-Y293 WeakPolarHBondContact O-CD2 3Å; L289-Y293 PolarHBondContact O-N 3.31Å; L290-Y293 PolarHBondContact O-N 3.19Å; Y293-Y296 PolarHBondContact O-N 2.9Å; Y293-F297 HydrophobicContact CD1-CD2 4.39Å; Y293-F297 AromaticContact CD1-CE2 3.5Å; Y293-F297 HydrophobicContact CD1-CE2 3.5Å; Y293-F297 VanDerWaalsContact CD1-CE2 3.5Å; Y293-F297 AromaticContact CD1-CZ 3.88Å; Y293-F297 HydrophobicContact CD1-CZ 3.88Å; Y293-F297 HydrophobicContact CE1-CE2 4.37Å; Y293-F297 HydrophobicContact CE1-CZ 4.41Å; Y293-F297 AromaticContact CG-CE2 3.96Å; Y293-F297 HydrophobicContact CG-CE2 3.96Å; Y293-F297 WeakPolarHBondContact O-CB 3.46Å; Y293-F297 WeakPolarHBondContact O-CD2 3.41Å; Y293-F297 PolarHBondContact O-N 2.99Å; Y293-A352 WeakPolarHBondContact CE2-O 3.48Å; Y293-A352 PolarHBondContact OH-O 3.18Å; Y293-L355 HydrophobicContact CD2-CB 3.93Å; Y293-L355 HydrophobicContact CE2-CB 3.71Å; Y293-A356 HydrophobicContact CE1-CB 4.28Å; Y293-A356 HydrophobicContact CE2-CB 4.29Å; Y293-W359 HydrophobicContact CD2-CZ3 4.16Å; Y293-W359 HydrophobicContact CG-CE3 4.42Å; Y293-W359 HydrophobicContact CG-CZ3 4.05Å; Y293-M382 HydrophobicContact CD1-CE 4.13Å; Y293-M382 HydrophobicContact CE1-CB 4.15Å; Y293-M382 HydrophobicContact CE1-CE 3.67Å; Y293-M382 PolarHBondContact OH-O 3.03Å; Y293-S386 WeakPolarHBondContact OH-CB 3.4Å; Y293-S386 PolarHBondContact OH-OG 2.85Å
294	E	98.7	Very high	98.7	Very high	16 Å²	16	32.9 Å²	32.9	8%	0.075	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-47.6	173.2	-69.8	-169.9	110.5	0	0	112.3	S263 L290 S298 P300 Y301 W359	S263-E294 WeakPolarHBondContact CB-OE2 3.39Å; S263-E294 PolarHBondContact OG-OE2 2.82Å; L290-E294 WeakPolarHBondContact O-CG 3.44Å; L290-E294 PolarHBondContact O-N 3.22Å; E294-S298 VanDerWaalsContact O-CA 3.3Å; E294-S298 WeakPolarHBondContact O-CA 3.44Å; E294-S298 PolarHBondContact O-N 3.02Å; E294-P300 WeakPolarHBondContact OE1-CA 3.48Å; E294-Y301 PolarHBondContact OE1-N 3.12Å; E294-W359 HydrophobicContact CG-CH2 4.07Å; E294-W359 HydrophobicContact CG-CZ2 3.92Å
295	D	98.4	Very high	98.7	Very high	101 Å²	101	29.9 Å²	29.9	54%	0.54	17%	0.174	S	C	.	.	H	α-helix	trans	-67	-39.5	177	-73.5	5.3	0	0	0	112.1	K262 E291 F292	K262-D295 WeakPolarHBondContact CE-OD1 3.44Å; K262-D295 IonicContact NZ-OD1 3.66Å; K262-D295 PolarHBondContact NZ-OD1 3.16Å; K262-D295 IonicContact NZ-OD2 3.65Å; K262-D295 PolarHBondContact NZ-OD2 2.96Å; E291-D295 PolarHBondContact O-N 2.9Å; F292-D295 PolarHBondContact O-N 3.31Å
296	Y	98.5	Very high	98.7	Very high	32 Å²	32	29.9 Å²	29.9	13%	0.125	17%	0.173	C	C	.	.	H	α-helix	trans	-72.1	-45.9	-175.1	-170.8	-92	0	0	0	110.9	F292 Y293 M382 V385 K458	F292-Y296 HydrophobicContact CE1-CD2 4.27Å; F292-Y296 HydrophobicContact CE1-CG 4.07Å; F292-Y296 HydrophobicContact CE2-CD2 4.06Å; F292-Y296 AromaticContact CZ-CD2 3.55Å; F292-Y296 HydrophobicContact CZ-CD2 3.55Å; F292-Y296 HydrophobicContact CZ-CE2 4.23Å; F292-Y296 AromaticContact CZ-CG 3.82Å; F292-Y296 HydrophobicContact CZ-CG 3.82Å; F292-Y296 WeakPolarHBondContact O-CB 3.33Å; F292-Y296 PolarHBondContact O-N 3.32Å; Y293-Y296 PolarHBondContact O-N 2.9Å; Y296-M382 HydrophobicContact CD1-CE 4.1Å; Y296-M382 HydrophobicContact CE1-CE 4.04Å; Y296-V385 HydrophobicContact CE1-CG1 4.43Å; Y296-V385 HydrophobicContact CE2-CG1 4.11Å; Y296-K458 HydrophobicContact CD2-CD 4.3Å; Y296-K458 HydrophobicContact CE1-CD 4.21Å; Y296-K458 HydrophobicContact CE1-CG 3.94Å; Y296-K458 HydrophobicContact CE2-CD 3.81Å; Y296-K458 HydrophobicContact CE2-CG 4.38Å; Y296-K458 WeakPolarHBondContact O-CE 3.05Å; Y296-K458 PolarHBondContact O-NZ 3.28Å
297	F	98.2	Very high	98.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-82.9	-14.4	178.4	-56.8	-51.3	0	0	0	113.4	Y293 I299 W359 F360 M382 I461 V462 L465	Y293-F297 HydrophobicContact CD1-CD2 4.39Å; Y293-F297 AromaticContact CD1-CE2 3.5Å; Y293-F297 HydrophobicContact CD1-CE2 3.5Å; Y293-F297 VanDerWaalsContact CD1-CE2 3.5Å; Y293-F297 AromaticContact CD1-CZ 3.88Å; Y293-F297 HydrophobicContact CD1-CZ 3.88Å; Y293-F297 HydrophobicContact CE1-CE2 4.37Å; Y293-F297 HydrophobicContact CE1-CZ 4.41Å; Y293-F297 AromaticContact CG-CE2 3.96Å; Y293-F297 HydrophobicContact CG-CE2 3.96Å; Y293-F297 WeakPolarHBondContact O-CB 3.46Å; Y293-F297 WeakPolarHBondContact O-CD2 3.41Å; Y293-F297 PolarHBondContact O-N 2.99Å; F297-I299 HydrophobicContact CB-CB 4.31Å; F297-I299 HydrophobicContact CB-CD1 4.38Å; F297-I299 HydrophobicContact CB-CG1 4.47Å; F297-I299 WeakPolarHBondContact O-CG1 3.36Å; F297-I299 PolarHBondContact O-N 3.49Å; F297-W359 HydrophobicContact CD2-CB 4.22Å; F297-W359 AromaticContact CD2-CD1 3.75Å; F297-W359 AromaticContact CD2-CD2 3.61Å; F297-W359 HydrophobicContact CD2-CD2 3.61Å; F297-W359 AromaticContact CD2-CE2 3.82Å; F297-W359 HydrophobicContact CD2-CE3 4.17Å; F297-W359 AromaticContact CD2-CG 3.6Å; F297-W359 HydrophobicContact CD2-CG 3.6Å; F297-W359 AromaticContact CD2-NE1 3.86Å; F297-W359 HydrophobicContact CE2-CB 4.11Å; F297-W359 AromaticContact CE2-CD2 3.87Å; F297-W359 HydrophobicContact CE2-CD2 3.87Å; F297-W359 HydrophobicContact CE2-CE3 4.05Å; F297-W359 AromaticContact CE2-CG 3.9Å; F297-W359 HydrophobicContact CE2-CG 3.9Å; F297-W359 HydrophobicContact CG-CG 4.43Å; F297-F360 AromaticContact CE1-CE2 3.72Å; F297-F360 HydrophobicContact CE1-CE2 3.72Å; F297-F360 HydrophobicContact CE1-CZ 4.31Å; F297-F360 HydrophobicContact CE2-CE2 4.5Å; F297-F360 HydrophobicContact CZ-CD2 4.21Å; F297-F360 AromaticContact CZ-CE2 3.58Å; F297-F360 HydrophobicContact CZ-CE2 3.58Å; F297-M382 HydrophobicContact CE1-CE 4.05Å; F297-M382 HydrophobicContact CE1-SD 4.28Å; F297-M382 HydrophobicContact CZ-CE 3.72Å; F297-M382 HydrophobicContact CZ-CG 4.3Å; F297-M382 HydrophobicContact CZ-SD 4.16Å; F297-I461 HydrophobicContact CD1-CG2 3.81Å; F297-I461 HydrophobicContact CE1-CG2 3.81Å; F297-V462 WeakPolarHBondContact O-CG1 3.48Å; F297-V462 WeakPolarHBondContact O-CG2 3.42Å; F297-L465 HydrophobicContact CB-CD1 4.25Å; F297-L465 HydrophobicContact CD1-CD1 3.71Å; F297-L465 HydrophobicContact CD2-CD1 4.43Å; F297-L465 HydrophobicContact CE1-CD1 4.16Å; F297-L465 HydrophobicContact CG-CD1 3.88Å
298	S	98.1	Very high	98.7	Very high	87 Å²	87	30 Å²	30	61%	0.608	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	33.3	-170.4	-58.9	0	0	0	0	112.4	E294	E294-S298 VanDerWaalsContact O-CA 3.3Å; E294-S298 WeakPolarHBondContact O-CA 3.44Å; E294-S298 PolarHBondContact O-N 3.02Å
299	I	98.4	Very high	98.7	Very high	19 Å²	19	27.3 Å²	27.3	10%	0.097	16%	0.157	C	C	.	.			trans	-132.3	114.3	178.7	-63	166.7	0	0	0	105.7	F297 W359 L363 L465 Q466	F297-I299 HydrophobicContact CB-CB 4.31Å; F297-I299 HydrophobicContact CB-CD1 4.38Å; F297-I299 HydrophobicContact CB-CG1 4.47Å; F297-I299 WeakPolarHBondContact O-CG1 3.36Å; F297-I299 PolarHBondContact O-N 3.49Å; I299-W359 WeakPolarHBondContact O-CZ2 3.37Å; I299-W359 PolarHBondContact O-NE1 3.06Å; I299-W359 VanDerWaalsContact O-NE1 3.14Å; I299-L363 HydrophobicContact CG2-CD2 3.92Å; I299-L465 HydrophobicContact CD1-CB 3.45Å; I299-L465 VanDerWaalsContact CD1-CB 3.45Å; I299-L465 HydrophobicContact CD1-CD1 4.26Å; I299-Q466 HydrophobicContact CD1-CG 3.85Å; I299-Q466 HydrophobicContact CG1-CG 4.04Å
300	P	98.6	Very high	98.7	Very high	90 Å²	90	27.3 Å²	27.3	58%	0.584	16%	0.158	S	C	*	.			trans	-66.9	153.5	-178.7	29.4	-35.4	0	0	0	111.2	E294	E294-P300 WeakPolarHBondContact OE1-CA 3.48Å
301	Y	98.8	Very high	98.7	Very high	10 Å²	10	27.3 Å²	27.3	4%	0.039	16%	0.157	C	C	.	.			trans	-69.1	123.1	170.4	177.6	-96.9	0	0	0	109	V265 L290 E294 L303 K305 Q306 W322 G323 Q358 W359	V265-Y301 HydrophobicContact CG1-CD1 3.83Å; V265-Y301 HydrophobicContact CG1-CE1 3.96Å; V265-Y301 HydrophobicContact CG2-CD1 3.92Å; L290-Y301 HydrophobicContact CD1-CD2 3.87Å; L290-Y301 HydrophobicContact CD1-CG 4.02Å; L290-Y301 HydrophobicContact CD2-CG 4.49Å; E294-Y301 PolarHBondContact OE1-N 3.12Å; Y301-L303 HydrophobicContact CD1-CB 4.39Å; Y301-L303 VanDerWaalsContact CD1-O 3.25Å; Y301-L303 WeakPolarHBondContact CD1-O 3.39Å; Y301-L303 HydrophobicContact CE1-CB 3.57Å; Y301-L303 HydrophobicContact CE1-CG 4.19Å; Y301-L303 VanDerWaalsContact CE1-O 3.24Å; Y301-L303 WeakPolarHBondContact CE1-O 3.32Å; Y301-L303 PolarHBondContact O-N 2.95Å; Y301-K305 PolarHBondContact OH-O 3.08Å; Y301-Q306 HydrophobicContact CE1-CB 4.25Å; Y301-Q306 PolarHBondContact OH-OE1 2.71Å; Y301-W322 AromaticContact CE2-NE1 3.85Å; Y301-G323 VanDerWaalsContact OH-CA 3.23Å; Y301-G323 WeakPolarHBondContact OH-CA 3.27Å; Y301-G323 PolarHBondContact OH-N 3.42Å; Y301-Q358 HydrophobicContact CD2-CB 4.04Å; Y301-Q358 HydrophobicContact CD2-CG 4.38Å; Y301-Q358 HydrophobicContact CE2-CB 3.89Å; Y301-Q358 HydrophobicContact CE2-CG 3.88Å; Y301-W359 HydrophobicContact CD2-CH2 4.43Å
302	P	98.5	Very high	98.6	Very high	46 Å²	46	26.8 Å²	26.8	30%	0.299	16%	0.158	S	C	.	.			trans	-84.4	-8.5	-163	31.2	-35.7	0	0	0	115.2	W322 Y470	P302-W322 HydrophobicContact CG-CH2 4.47Å; P302-W322 HydrophobicContact CG-CZ2 3.56Å; P302-Y470 VanDerWaalsContact CB-OH 3.29Å; P302-Y470 WeakPolarHBondContact CB-OH 3.48Å
303	L	98.7	Very high	98.5	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	17%	0.166	C	C	.	.	S	Bend	trans	-101.4	148.9	-176.5	-44.3	-173.3	0	0	0	111.3	M219 V240 Y301 K305 W322	M219-L303 HydrophobicContact CE-CD2 4.33Å; M219-L303 HydrophobicContact SD-CD1 3.99Å; M219-L303 HydrophobicContact SD-CD2 3.85Å; M219-L303 HydrophobicContact SD-CG 4.34Å; V240-L303 HydrophobicContact CG1-CD2 3.9Å; V240-L303 HydrophobicContact CG2-CD2 3.99Å; Y301-L303 HydrophobicContact CD1-CB 4.39Å; Y301-L303 VanDerWaalsContact CD1-O 3.25Å; Y301-L303 WeakPolarHBondContact CD1-O 3.39Å; Y301-L303 HydrophobicContact CE1-CB 3.57Å; Y301-L303 HydrophobicContact CE1-CG 4.19Å; Y301-L303 VanDerWaalsContact CE1-O 3.24Å; Y301-L303 WeakPolarHBondContact CE1-O 3.32Å; Y301-L303 PolarHBondContact O-N 2.95Å; L303-K305 PolarHBondContact O-N 2.91Å; L303-K305 VanDerWaalsContact O-N 3.12Å; L303-W322 HydrophobicContact CD1-CB 4.4Å; L303-W322 VanDerWaalsContact CD1-CD1 3.4Å; L303-W322 HydrophobicContact CD1-CD2 4.41Å; L303-W322 HydrophobicContact CD1-CG 3.81Å
304	P	98.7	Very high	98.2	Very high	72 Å²	72	28.5 Å²	28.5	47%	0.468	17%	0.168	S	C	.	.	S	Bend	trans	-66.9	-14.5	-177.9	-21.9	34.2	0	0	0	115	P220 K266	P220-P304 HydrophobicContact CG-CB 3.96Å; P220-P304 HydrophobicContact CG-CG 4.01Å; K266-P304 PolarHBondContact N-O 3.13Å
305	K	98.9	Very high	97.8	Very high	14 Å²	14	33.1 Å²	33.1	6%	0.061	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.9	-176.4	67.6	91.3	-179.1	-179.7	0	111.7	S217 N218 P220 K266 Y301 L303 D307 G323	S217-K305 PolarHBondContact O-NZ 2.94Å; N218-K305 WeakPolarHBondContact O-CE 3.19Å; N218-K305 PolarHBondContact O-NZ 2.83Å; P220-K305 HydrophobicContact CG-CG 3.9Å; K266-K305 HydrophobicContact CB-CB 4.12Å; K266-K305 CarbonylContact O-C 3.53Å; K266-K305 WeakPolarHBondContact O-CA 3.01Å; K266-K305 VanDerWaalsContact O-CB 3.27Å; K266-K305 WeakPolarHBondContact O-CB 3.15Å; Y301-K305 PolarHBondContact OH-O 3.08Å; L303-K305 PolarHBondContact O-N 2.91Å; L303-K305 VanDerWaalsContact O-N 3.12Å; K305-D307 WeakPolarHBondContact CD-OD2 3.46Å; K305-D307 WeakPolarHBondContact CE-OD2 3.49Å; K305-D307 IonicContact NZ-OD2 2.68Å; K305-D307 PolarHBondContact NZ-OD2 3.25Å; K305-G323 PolarHBondContact NZ-O 3.25Å
306	Q	98.9	Very high	97.3	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	113.8	168.6	177.4	60.6	68	0	0	108.7	K266 V267 S268 L290 Y301 L308 G323 T325 L355	K266-Q306 PolarHBondContact O-N 2.99Å; V267-Q306 VanDerWaalsContact CA-O 3.28Å; V267-Q306 WeakPolarHBondContact CA-O 3.41Å; S268-Q306 PolarHBondContact N-O 2.96Å; L290-Q306 HydrophobicContact CD2-CB 4.41Å; Y301-Q306 HydrophobicContact CE1-CB 4.25Å; Y301-Q306 PolarHBondContact OH-OE1 2.71Å; Q306-L308 HydrophobicContact CG-CD1 4.33Å; Q306-G323 VanDerWaalsContact NE2-C 3.32Å; Q306-T325 PolarHBondContact NE2-OG1 3.19Å; Q306-L355 HydrophobicContact CG-CD2 3.94Å
307	D	98.9	Very high	96.8	Very high	9 Å²	9	30.8 Å²	30.8	5%	0.048	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	146.4	174.9	-62	-33.1	0	0	0	110.6	S268 Y270 K305 G323 L324 T325	S268-D307 WeakPolarHBondContact CB-OD1 3.32Å; S268-D307 CarbonylContact O-C 3.58Å; S268-D307 VanDerWaalsContact O-CA 3.3Å; S268-D307 WeakPolarHBondContact O-CA 3.35Å; S268-D307 PolarHBondContact OG-OD1 3.49Å; Y270-D307 HydrophobicContact CD2-CB 4.06Å; Y270-D307 HydrophobicContact CE2-CB 4.07Å; K305-D307 WeakPolarHBondContact CD-OD2 3.46Å; K305-D307 WeakPolarHBondContact CE-OD2 3.49Å; K305-D307 IonicContact NZ-OD2 2.68Å; K305-D307 PolarHBondContact NZ-OD2 3.25Å; D307-G323 PolarHBondContact N-O 2.9Å; D307-L324 HydrophobicContact CB-CD1 3.73Å; D307-L324 CarbonylContact O-C 3.48Å; D307-T325 PolarHBondContact O-N 3.5Å; D307-T325 PolarHBondContact O-OG1 2.88Å
308	L	98.9	Very high	96.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	110.5	175.5	-62.4	83.9	0	0	0	108	V267 S268 V269 Y270 A286 Q306 T325 Y327 L332 V351	V267-L308 HydrophobicContact CG1-CD1 3.64Å; S268-L308 PolarHBondContact O-N 2.9Å; V269-L308 CarbonylContact C-O 3.52Å; V269-L308 WeakPolarHBondContact CA-O 3.38Å; V269-L308 HydrophobicContact CG2-CB 4.28Å; Y270-L308 PolarHBondContact N-O 3.38Å; A286-L308 HydrophobicContact CB-CD1 4Å; A286-L308 HydrophobicContact CB-CD2 3.73Å; Q306-L308 HydrophobicContact CG-CD1 4.33Å; L308-T325 CarbonylContact C-O 3.58Å; L308-T325 WeakPolarHBondContact CA-O 3.39Å; L308-Y327 HydrophobicContact CB-CD2 4.31Å; L308-Y327 HydrophobicContact CB-CE2 3.62Å; L308-Y327 HydrophobicContact CD2-CE2 4.05Å; L308-Y327 WeakPolarHBondContact CD2-OH 3.03Å; L308-Y327 HydrophobicContact CG-CE2 3.94Å; L308-L332 HydrophobicContact CB-CD1 4.15Å; L308-L332 HydrophobicContact CB-CD2 4.03Å; L308-L332 HydrophobicContact CD2-CD1 3.85Å; L308-V351 HydrophobicContact CD2-CG1 4.16Å; L308-V351 HydrophobicContact CD2-CG2 4.24Å
309	A	98.9	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.8	-173.4	0	0	0	0	0	112.5	I250 I311 L324 T325 T326 Y327	I250-A309 HydrophobicContact CD1-CB 3.84Å; A309-I311 HydrophobicContact CB-CD1 3.93Å; A309-I311 PolarHBondContact O-N 3.06Å; A309-L324 HydrophobicContact CB-CD1 4.25Å; A309-T325 PolarHBondContact N-O 2.94Å; A309-T326 HydrophobicContact CB-CG2 4.42Å; A309-T326 WeakPolarHBondContact O-CA 3.46Å; A309-Y327 PolarHBondContact O-N 3.35Å
310	A	98.8	Very high	96.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	108.3	170.8	0	0	0	0	0	110.2	Y270 A271 E329 L332 L333	Y270-A310 PolarHBondContact O-N 2.71Å; A271-A310 HydrophobicContact CB-CB 4.3Å; A310-E329 HydrophobicContact CB-CG 4.36Å; A310-L332 HydrophobicContact CB-CD2 4.02Å; A310-L333 HydrophobicContact CB-CD1 3.98Å; A310-L333 HydrophobicContact CB-CD2 4.02Å; A310-L333 HydrophobicContact CB-CG 3.93Å
311	I	98.7	Very high	96.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.7	179.7	-44.3	-55.6	0	0	0	109.3	L177 I250 F254 A309 D313 F314 T326 Y327	L177-I311 HydrophobicContact CD1-CG2 4.38Å; I250-I311 HydrophobicContact CD1-CD1 3.77Å; F254-I311 HydrophobicContact CE2-CD1 4.13Å; A309-I311 HydrophobicContact CB-CD1 3.93Å; A309-I311 PolarHBondContact O-N 3.06Å; I311-D313 WeakPolarHBondContact CG2-O 3.22Å; I311-D313 PolarHBondContact O-N 2.9Å; I311-F314 HydrophobicContact CB-CB 4.28Å; I311-F314 HydrophobicContact CB-CD2 3.94Å; I311-F314 HydrophobicContact CB-CG 4.45Å; I311-F314 HydrophobicContact CG1-CD2 3.96Å; I311-F314 HydrophobicContact CG1-CE2 4.38Å; I311-F314 HydrophobicContact CG2-CD2 4.3Å; I311-T326 HydrophobicContact CD1-CG2 4.26Å; I311-T326 HydrophobicContact CG1-CG2 4.3Å; I311-Y327 PolarHBondContact N-O 3.18Å
312	P	98	Very high	96.8	Very high	32 Å²	32	21.9 Å²	21.9	21%	0.208	14%	0.135	C	C	.	.	S	Bend	trans	-60.1	-43.5	178.9	-26.6	35.2	0	0	0	114	T166 Y167 L177 V272	T166-P312 WeakPolarHBondContact O-CB 3.25Å; Y167-P312 HydrophobicContact CD1-CG 4.38Å; Y167-P312 HydrophobicContact CG-CG 4.49Å; L177-P312 HydrophobicContact CD2-CG 4.05Å; V272-P312 HydrophobicContact CG1-CG 4.01Å
313	D	95.6	Very high	96.9	Very high	53 Å²	53	19.7 Å²	19.7	28%	0.283	12%	0.121	S	C	.	.	S	Bend	trans	-112.2	109.8	177.2	-53.5	-75.4	0	0	0	109.9	F159 Y163 S165 T166 I311	F159-D313 HydrophobicContact CD1-CB 4.3Å; F159-D313 HydrophobicContact CE1-CB 4.1Å; Y163-D313 WeakPolarHBondContact CE2-O 3.23Å; Y163-D313 PolarHBondContact OH-O 2.86Å; S165-D313 WeakPolarHBondContact CA-OD2 3.42Å; S165-D313 VanDerWaalsContact CB-OD2 3.29Å; S165-D313 WeakPolarHBondContact CB-OD2 3.26Å; S165-D313 WeakPolarHBondContact OG-CB 3.32Å; S165-D313 PolarHBondContact OG-N 3.13Å; S165-D313 VanDerWaalsContact OG-N 3.14Å; S165-D313 PolarHBondContact OG-OD2 2.9Å; T166-D313 PolarHBondContact N-OD2 3.36Å; I311-D313 WeakPolarHBondContact CG2-O 3.22Å; I311-D313 PolarHBondContact O-N 2.9Å
314	F	92.8	Very high	96.9	Very high	9 Å²	9	19.4 Å²	19.4	4%	0.039	12%	0.119	C	C	.	.			trans	-147.8	138.2	-176.1	-156.8	-101.4	0	0	0	111.3	Y163 I311 S316 M319 T326 R328	Y163-F314 VanDerWaalsContact OH-CD2 3.3Å; Y163-F314 WeakPolarHBondContact OH-CD2 3.29Å; I311-F314 HydrophobicContact CB-CB 4.28Å; I311-F314 HydrophobicContact CB-CD2 3.94Å; I311-F314 HydrophobicContact CB-CG 4.45Å; I311-F314 HydrophobicContact CG1-CD2 3.96Å; I311-F314 HydrophobicContact CG1-CE2 4.38Å; I311-F314 HydrophobicContact CG2-CD2 4.3Å; F314-S316 WeakPolarHBondContact CD1-O 3.46Å; F314-S316 WeakPolarHBondContact CE1-OG 3.47Å; F314-M319 HydrophobicContact CE1-CB 4.48Å; F314-M319 HydrophobicContact CZ-CB 3.82Å; F314-T326 VanDerWaalsContact CE2-OG1 3.29Å; F314-T326 WeakPolarHBondContact CE2-OG1 3.39Å; F314-T326 VanDerWaalsContact CZ-OG1 3.26Å; F314-T326 WeakPolarHBondContact CZ-OG1 3.31Å; F314-R328 HydrophobicContact CB-CG 3.85Å; F314-R328 HydrophobicContact CD1-CG 4.18Å; F314-R328 PolarHBondContact O-NE 3.3Å; F314-R328 PolarHBondContact O-NH2 2.83Å
315	Q	89.8	Confident	96.9	Very high	112 Å²	112	16 Å²	16	52%	0.523	10%	0.097	S	C	.	.	S	Bend	trans	-86.9	-52.6	-170.7	172.3	172.5	-14.2	0	0	114.1	F159 R328	F159-Q315 HydrophobicContact CB-CB 3.49Å; F159-Q315 VanDerWaalsContact CB-CB 3.49Å; F159-Q315 HydrophobicContact CD2-CB 3.99Å; F159-Q315 HydrophobicContact CG-CB 3.93Å; Q315-R328 PolarHBondContact O-NH2 3.07Å
316	S	87.9	Confident	96.9	Very high	47 Å²	47	15.3 Å²	15.3	33%	0.329	9%	0.094	S	C	.	.	S	Bend	trans	-76.2	-172.4	174.8	49.3	0	0	0	0	110.8	F314 A318 R328	F314-S316 WeakPolarHBondContact CD1-O 3.46Å; F314-S316 WeakPolarHBondContact CE1-OG 3.47Å; S316-A318 PolarHBondContact OG-O 2.82Å; S316-R328 VanDerWaalsContact O-CD 3.24Å; S316-R328 WeakPolarHBondContact O-CD 3.26Å; S316-R328 WeakPolarHBondContact O-CG 3.13Å; S316-R328 PolarHBondContact O-NE 3.47Å
317	G	89.8	Confident	96.9	Very high	38 Å²	38	15.2 Å²	15.2	39%	0.392	9%	0.094	S	C	.	.	S	Bend	trans	-70.7	-50	169.1	0	0	0	0	0	111.4	R328	G317-R328 PolarHBondContact O-N 2.85Å
318	A	97.4	Very high	96.8	Very high	12 Å²	12	19.9 Å²	19.9	10%	0.099	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	-172.7	177.6	0	0	0	0	0	110.5	S316 T326 Y327 T350 E354	S316-A318 PolarHBondContact OG-O 2.82Å; A318-T326 CarbonylContact C-O 3.59Å; A318-T326 WeakPolarHBondContact CA-O 3.47Å; A318-T326 WeakPolarHBondContact CB-O 3.42Å; A318-Y327 HydrophobicContact CB-CD1 3.52Å; A318-Y327 HydrophobicContact CB-CE1 3.94Å; A318-Y327 HydrophobicContact CB-CG 4.01Å; A318-T350 HydrophobicContact CB-CG2 3.57Å; A318-E354 HydrophobicContact CB-CG 3.69Å; A318-E354 VanDerWaalsContact CB-OE1 3.31Å; A318-E354 WeakPolarHBondContact CB-OE1 3.18Å
319	M	98.5	Very high	96.8	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	139.1	177.5	173.9	77.1	-140.8	0	0	109.8	Q181 E183 Y245 L246 F314 N321 T325 T326 E354	Q181-M319 PolarHBondContact NE2-SD 3.34Å; Q181-M319 VanDerWaalsContact OE1-CB 3.25Å; E183-M319 HydrophobicContact CB-CE 3.72Å; E183-M319 HydrophobicContact CB-SD 3.51Å; E183-M319 VanDerWaalsContact CB-SD 3.51Å; E183-M319 HydrophobicContact CG-CE 4.41Å; Y245-M319 HydrophobicContact CD2-CE 3.66Å; Y245-M319 HydrophobicContact CE2-CE 3.88Å; L246-M319 HydrophobicContact CD2-CE 4.06Å; F314-M319 HydrophobicContact CE1-CB 4.48Å; F314-M319 HydrophobicContact CZ-CB 3.82Å; M319-N321 VanDerWaalsContact C-N 3.31Å; M319-N321 VanDerWaalsContact CG-CG 3.49Å; M319-N321 WeakPolarHBondContact CG-ND2 3.48Å; M319-N321 WeakPolarHBondContact CG-OD1 3.31Å; M319-N321 PolarHBondContact O-N 3.47Å; M319-N321 VanDerWaalsContact O-N 3.16Å; M319-T325 CarbonylContact O-C 3.59Å; M319-T325 WeakPolarHBondContact O-CA 3.12Å; M319-T326 PolarHBondContact N-O 2.88Å; M319-T326 PolarHBondContact O-N 2.99Å; M319-E354 WeakPolarHBondContact CA-OE2 3.49Å; M319-E354 PolarHBondContact N-OE2 2.83Å
320	E	98.5	Very high	96.8	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.019	15%	0.15	C	C	.	.			trans	-85.5	12.6	-162.9	74.4	-95.4	-146.8	0	0	115.9	L246 W322 E354 H357 Q358 N362	L246-E320 HydrophobicContact CD2-CG 3.75Å; E320-W322 PolarHBondContact O-N 2.92Å; E320-E354 WeakPolarHBondContact CA-OE2 3.46Å; E320-E354 PolarHBondContact N-OE2 2.86Å; E320-E354 VanDerWaalsContact N-OE2 3.12Å; E320-H357 HydrophobicContact CB-CB 3.35Å; E320-H357 HydrophobicContact CG-CB 3.62Å; E320-H357 IonicContact OE1-ND1 2.86Å; E320-Q358 PolarHBondContact O-NE2 2.84Å; E320-N362 WeakPolarHBondContact CG-OD1 3.35Å; E320-N362 PolarHBondContact O-ND2 3.45Å
321	N	98.8	Very high	96.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.			trans	-46.5	123.9	-160.9	-40.3	88.6	0	0	0	111.6	A248 M319 G323 L324 T325 T326	A248-N321 HydrophobicContact CB-CB 3.55Å; M319-N321 VanDerWaalsContact C-N 3.31Å; M319-N321 VanDerWaalsContact CG-CG 3.49Å; M319-N321 WeakPolarHBondContact CG-ND2 3.48Å; M319-N321 WeakPolarHBondContact CG-OD1 3.31Å; M319-N321 PolarHBondContact O-N 3.47Å; M319-N321 VanDerWaalsContact O-N 3.16Å; N321-G323 PolarHBondContact O-N 3.47Å; N321-L324 WeakPolarHBondContact CB-O 3.42Å; N321-L324 CarbonylContact O-C 3.42Å; N321-L324 WeakPolarHBondContact O-CA 3.39Å; N321-L324 PolarHBondContact O-N 3.22Å; N321-T325 PolarHBondContact O-N 3.14Å; N321-T326 PolarHBondContact OD1-OG1 3.38Å
322	W	98.8	Very high	96.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	115.4	-160.3	-155.2	-10.1	0	0	0	112.3	N218 V240 M242 Y301 P302 L303 E320 L324 N362 L363 Y470	N218-W322 WeakPolarHBondContact CA-O 3.5Å; N218-W322 VanDerWaalsContact CB-O 3.24Å; N218-W322 WeakPolarHBondContact CB-O 3.35Å; N218-W322 PolarHBondContact ND2-O 2.96Å; V240-W322 HydrophobicContact CG2-CD2 4.16Å; V240-W322 HydrophobicContact CG2-CE3 3.71Å; V240-W322 HydrophobicContact CG2-CH2 3.63Å; V240-W322 HydrophobicContact CG2-CZ2 4.1Å; V240-W322 HydrophobicContact CG2-CZ3 3.42Å; V240-W322 VanDerWaalsContact CG2-CZ3 3.42Å; M242-W322 HydrophobicContact CB-CE3 3.67Å; M242-W322 HydrophobicContact CB-CZ3 3.94Å; M242-W322 HydrophobicContact SD-CB 4.26Å; M242-W322 HydrophobicContact SD-CE3 4.32Å; Y301-W322 AromaticContact CE2-NE1 3.85Å; P302-W322 HydrophobicContact CG-CH2 4.47Å; P302-W322 HydrophobicContact CG-CZ2 3.56Å; L303-W322 HydrophobicContact CD1-CB 4.4Å; L303-W322 VanDerWaalsContact CD1-CD1 3.4Å; L303-W322 HydrophobicContact CD1-CD2 4.41Å; L303-W322 HydrophobicContact CD1-CG 3.81Å; E320-W322 PolarHBondContact O-N 2.92Å; W322-L324 VanDerWaalsContact C-N 3.3Å; W322-L324 PolarHBondContact O-N 3.32Å; W322-N362 WeakPolarHBondContact CA-ND2 3.41Å; W322-N362 HydrophobicContact CB-CB 4.43Å; W322-N362 HydrophobicContact CD2-CB 3.61Å; W322-N362 HydrophobicContact CE3-CB 3.75Å; W322-N362 HydrophobicContact CG-CB 3.94Å; W322-N362 HydrophobicContact CH2-CB 4.37Å; W322-N362 HydrophobicContact CZ2-CB 4.23Å; W322-N362 HydrophobicContact CZ3-CB 4.14Å; W322-N362 WeakPolarHBondContact CZ3-O 3.37Å; W322-L363 HydrophobicContact CH2-CB 4.16Å; W322-L363 HydrophobicContact CH2-CD1 4.16Å; W322-L363 HydrophobicContact CZ2-CB 4.26Å; W322-L363 HydrophobicContact CZ2-CD1 4.47Å; W322-Y470 HydrophobicContact CH2-CD1 4.01Å; W322-Y470 AromaticContact CH2-CE1 3.73Å; W322-Y470 HydrophobicContact CH2-CE1 3.73Å; W322-Y470 HydrophobicContact CZ2-CE1 4.44Å; W322-Y470 HydrophobicContact CZ3-CD1 4.5Å
323	G	98.8	Very high	96.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-6.9	-176.9	0	0	0	0	0	116.1	Y301 K305 Q306 D307 N321	Y301-G323 VanDerWaalsContact OH-CA 3.23Å; Y301-G323 WeakPolarHBondContact OH-CA 3.27Å; Y301-G323 PolarHBondContact OH-N 3.42Å; K305-G323 PolarHBondContact NZ-O 3.25Å; Q306-G323 VanDerWaalsContact NE2-C 3.32Å; D307-G323 PolarHBondContact N-O 2.9Å; N321-G323 PolarHBondContact O-N 3.47Å
324	L	98.9	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	66.7	175.8	-179.7	56.2	0	0	0	110.1	I216 A248 I250 D307 A309 N321 W322	I216-L324 HydrophobicContact CB-CD2 4.42Å; I216-L324 HydrophobicContact CD1-CD1 3.65Å; I216-L324 HydrophobicContact CD1-CD2 4.49Å; I216-L324 HydrophobicContact CG1-CD1 4.06Å; I216-L324 HydrophobicContact CG1-CD2 4Å; A248-L324 HydrophobicContact CB-CB 4.46Å; A248-L324 HydrophobicContact CB-CD2 4.14Å; A248-L324 HydrophobicContact CB-CG 4.44Å; I250-L324 HydrophobicContact CD1-CD1 4.19Å; I250-L324 HydrophobicContact CD1-CD2 4.13Å; I250-L324 HydrophobicContact CD1-CG 4.3Å; I250-L324 HydrophobicContact CG1-CD2 4.25Å; D307-L324 HydrophobicContact CB-CD1 3.73Å; D307-L324 CarbonylContact O-C 3.48Å; A309-L324 HydrophobicContact CB-CD1 4.25Å; N321-L324 WeakPolarHBondContact CB-O 3.42Å; N321-L324 CarbonylContact O-C 3.42Å; N321-L324 WeakPolarHBondContact O-CA 3.39Å; N321-L324 PolarHBondContact O-N 3.22Å; W322-L324 VanDerWaalsContact C-N 3.3Å; W322-L324 PolarHBondContact O-N 3.32Å
325	T	98.9	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	138.6	178.7	53.9	0	0	0	0	109.7	Q306 D307 L308 A309 M319 N321 Y327 E354	Q306-T325 PolarHBondContact NE2-OG1 3.19Å; D307-T325 PolarHBondContact O-N 3.5Å; D307-T325 PolarHBondContact O-OG1 2.88Å; L308-T325 CarbonylContact C-O 3.58Å; L308-T325 WeakPolarHBondContact CA-O 3.39Å; A309-T325 PolarHBondContact N-O 2.94Å; M319-T325 CarbonylContact O-C 3.59Å; M319-T325 WeakPolarHBondContact O-CA 3.12Å; N321-T325 PolarHBondContact O-N 3.14Å; T325-Y327 WeakPolarHBondContact O-CE2 3.18Å; T325-Y327 VanDerWaalsContact OG1-CE2 3.26Å; T325-Y327 WeakPolarHBondContact OG1-CE2 3.38Å; T325-Y327 PolarHBondContact OG1-OH 2.96Å; T325-E354 HydrophobicContact CG2-CB 4.06Å
326	T	98.8	Very high	97.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.8	-174.9	57.2	0	0	0	0	111.3	I250 A309 I311 F314 A318 M319 N321	I250-T326 HydrophobicContact CD1-CG2 3.95Å; A309-T326 HydrophobicContact CB-CG2 4.42Å; A309-T326 WeakPolarHBondContact O-CA 3.46Å; I311-T326 HydrophobicContact CD1-CG2 4.26Å; I311-T326 HydrophobicContact CG1-CG2 4.3Å; F314-T326 VanDerWaalsContact CE2-OG1 3.29Å; F314-T326 WeakPolarHBondContact CE2-OG1 3.39Å; F314-T326 VanDerWaalsContact CZ-OG1 3.26Å; F314-T326 WeakPolarHBondContact CZ-OG1 3.31Å; A318-T326 CarbonylContact C-O 3.59Å; A318-T326 WeakPolarHBondContact CA-O 3.47Å; A318-T326 WeakPolarHBondContact CB-O 3.42Å; M319-T326 PolarHBondContact N-O 2.88Å; M319-T326 PolarHBondContact O-N 2.99Å; N321-T326 PolarHBondContact OD1-OG1 3.38Å
327	Y	98.9	Very high	98	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.9	-169.3	-56.9	-105.2	0	0	0	110.8	L308 A309 I311 A318 T325 L332 T350 V351 E354	L308-Y327 HydrophobicContact CB-CD2 4.31Å; L308-Y327 HydrophobicContact CB-CE2 3.62Å; L308-Y327 HydrophobicContact CD2-CE2 4.05Å; L308-Y327 WeakPolarHBondContact CD2-OH 3.03Å; L308-Y327 HydrophobicContact CG-CE2 3.94Å; A309-Y327 PolarHBondContact O-N 3.35Å; I311-Y327 PolarHBondContact N-O 3.18Å; A318-Y327 HydrophobicContact CB-CD1 3.52Å; A318-Y327 HydrophobicContact CB-CE1 3.94Å; A318-Y327 HydrophobicContact CB-CG 4.01Å; T325-Y327 WeakPolarHBondContact O-CE2 3.18Å; T325-Y327 VanDerWaalsContact OG1-CE2 3.26Å; T325-Y327 WeakPolarHBondContact OG1-CE2 3.38Å; T325-Y327 PolarHBondContact OG1-OH 2.96Å; Y327-L332 HydrophobicContact CD1-CB 4.31Å; Y327-L332 HydrophobicContact CD1-CD1 3.93Å; Y327-L332 HydrophobicContact CD2-CD1 3.97Å; Y327-L332 HydrophobicContact CD2-CD2 3.74Å; Y327-L332 HydrophobicContact CD2-CG 4.31Å; Y327-L332 HydrophobicContact CE1-CD1 3.99Å; Y327-L332 HydrophobicContact CE2-CD1 4.05Å; Y327-L332 HydrophobicContact CE2-CD2 4.34Å; Y327-L332 HydrophobicContact CG-CB 4Å; Y327-L332 HydrophobicContact CG-CD1 3.96Å; Y327-L332 HydrophobicContact CG-CD2 4.05Å; Y327-L332 HydrophobicContact CG-CG 4.24Å; Y327-T350 HydrophobicContact CD1-CG2 3.95Å; Y327-T350 HydrophobicContact CE1-CG2 4.06Å; Y327-V351 HydrophobicContact CE1-CG2 4.19Å; Y327-E354 HydrophobicContact CD1-CG 4.34Å; Y327-E354 HydrophobicContact CE1-CB 4.27Å; Y327-E354 HydrophobicContact CE1-CG 3.42Å; Y327-E354 VanDerWaalsContact CE1-CG 3.42Å; Y327-E354 VanDerWaalsContact OH-CB 3.27Å; Y327-E354 WeakPolarHBondContact OH-CB 3.34Å; Y327-E354 WeakPolarHBondContact OH-CG 3.37Å
328	R	98.5	Very high	98.3	Very high	106 Å²	106	36.5 Å²	36.5	40%	0.4	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	144	153	-75.2	177	179.1	-112.1	2.9	109.4	F314 Q315 S316 G317 S330 A331 L332	F314-R328 HydrophobicContact CB-CG 3.85Å; F314-R328 HydrophobicContact CD1-CG 4.18Å; F314-R328 PolarHBondContact O-NE 3.3Å; F314-R328 PolarHBondContact O-NH2 2.83Å; Q315-R328 PolarHBondContact O-NH2 3.07Å; S316-R328 VanDerWaalsContact O-CD 3.24Å; S316-R328 WeakPolarHBondContact O-CD 3.26Å; S316-R328 WeakPolarHBondContact O-CG 3.13Å; S316-R328 PolarHBondContact O-NE 3.47Å; G317-R328 PolarHBondContact O-N 2.85Å; R328-S330 PolarHBondContact O-N 3.05Å; R328-S330 VanDerWaalsContact O-N 3.14Å; R328-A331 HydrophobicContact CB-CB 4.28Å; R328-A331 PolarHBondContact O-N 2.63Å; R328-L332 PolarHBondContact O-N 3.35Å
329	E	98.4	Very high	98.4	Very high	43 Å²	43	37.6 Å²	37.6	20%	0.201	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-50	-41.4	172	-64.2	-173.5	145.8	0	0	112.7	K275 A310 A331 L332 L333	K275-E329 IonicContact NZ-OE1 3.76Å; K275-E329 PolarHBondContact NZ-OE1 2.81Å; K275-E329 IonicContact NZ-OE2 3.87Å; K275-E329 PolarHBondContact NZ-OE2 3.5Å; A310-E329 HydrophobicContact CB-CG 4.36Å; E329-A331 PolarHBondContact O-N 2.68Å; E329-L332 PolarHBondContact O-N 3.43Å; E329-L333 HydrophobicContact CB-CD1 4.07Å; E329-L333 HydrophobicContact CG-CD1 4.23Å; E329-L333 WeakPolarHBondContact O-CB 3.29Å; E329-L333 PolarHBondContact O-N 3.3Å
330	S	98	Very high	98.3	Very high	91 Å²	91	40.1 Å²	40.1	64%	0.636	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-68	-13.1	179	60.2	0	0	0	0	115.1	R328	R328-S330 PolarHBondContact O-N 3.05Å; R328-S330 VanDerWaalsContact O-N 3.14Å
331	A	98.3	Very high	98.3	Very high	9 Å²	9	44 Å²	44	7%	0.074	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-102.4	-1.8	179.2	0	0	0	0	0	112.9	R328 E329 T350	R328-A331 HydrophobicContact CB-CB 4.28Å; R328-A331 PolarHBondContact O-N 2.63Å; E329-A331 PolarHBondContact O-N 2.68Å; A331-T350 HydrophobicContact CB-CG2 4.19Å
332	L	98.7	Very high	98.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-36.3	-179.3	-163.4	68.5	0	0	0	114	V269 A282 L308 A310 Y327 R328 E329 V351	V269-L332 HydrophobicContact CG1-CD2 3.82Å; V269-L332 HydrophobicContact CG1-CG 4.3Å; A282-L332 HydrophobicContact CB-CD1 3.57Å; A282-L332 HydrophobicContact CB-CG 3.93Å; A282-L332 WeakPolarHBondContact CB-O 3.48Å; L308-L332 HydrophobicContact CB-CD1 4.15Å; L308-L332 HydrophobicContact CB-CD2 4.03Å; L308-L332 HydrophobicContact CD2-CD1 3.85Å; A310-L332 HydrophobicContact CB-CD2 4.02Å; Y327-L332 HydrophobicContact CD1-CB 4.31Å; Y327-L332 HydrophobicContact CD1-CD1 3.93Å; Y327-L332 HydrophobicContact CD2-CD1 3.97Å; Y327-L332 HydrophobicContact CD2-CD2 3.74Å; Y327-L332 HydrophobicContact CD2-CG 4.31Å; Y327-L332 HydrophobicContact CE1-CD1 3.99Å; Y327-L332 HydrophobicContact CE2-CD1 4.05Å; Y327-L332 HydrophobicContact CE2-CD2 4.34Å; Y327-L332 HydrophobicContact CG-CB 4Å; Y327-L332 HydrophobicContact CG-CD1 3.96Å; Y327-L332 HydrophobicContact CG-CD2 4.05Å; Y327-L332 HydrophobicContact CG-CG 4.24Å; R328-L332 PolarHBondContact O-N 3.35Å; E329-L332 PolarHBondContact O-N 3.43Å; L332-V351 HydrophobicContact CD1-CG2 3.79Å
333	L	98.7	Very high	98.2	Very high	9 Å²	9	50.6 Å²	50.6	5%	0.047	30%	0.297	C	S	.	.			trans	-92.7	128.4	-171.3	-56.5	-176.2	0	0	0	111.9	A271 K275 Q278 A310 E329 I347	A271-L333 HydrophobicContact CB-CD1 4.38Å; A271-L333 HydrophobicContact CB-CD2 4.12Å; K275-L333 HydrophobicContact CB-CD1 3.92Å; K275-L333 HydrophobicContact CD-CD1 4.08Å; Q278-L333 HydrophobicContact CB-CB 3.89Å; Q278-L333 HydrophobicContact CB-CD2 4.47Å; A310-L333 HydrophobicContact CB-CD1 3.98Å; A310-L333 HydrophobicContact CB-CD2 4.02Å; A310-L333 HydrophobicContact CB-CG 3.93Å; E329-L333 HydrophobicContact CB-CD1 4.07Å; E329-L333 HydrophobicContact CG-CD1 4.23Å; E329-L333 WeakPolarHBondContact O-CB 3.29Å; E329-L333 PolarHBondContact O-N 3.3Å; L333-I347 WeakPolarHBondContact O-CD1 3.48Å
334	F	98.7	Very high	98.2	Very high	39 Å²	39	53.6 Å²	53.6	17%	0.171	31%	0.31	C	S	.	.			trans	-120	115.1	-178.1	-177.1	-99.7	0	0	0	111.8	Q278 Y281 A336 K344 I347	Q278-F334 WeakPolarHBondContact CA-O 3.44Å; Q278-F334 WeakPolarHBondContact CB-O 3.42Å; Q278-F334 PolarHBondContact O-N 2.9Å; Y281-F334 HydrophobicContact CD1-CB 4.05Å; Y281-F334 HydrophobicContact CD1-CG 4.14Å; Y281-F334 HydrophobicContact CG-CB 4.29Å; Y281-F334 HydrophobicContact CG-CD1 4.3Å; Y281-F334 HydrophobicContact CG-CG 4.31Å; F334-A336 HydrophobicContact CE1-CB 4.1Å; F334-K344 HydrophobicContact CD2-CB 4.12Å; F334-K344 HydrophobicContact CD2-CG 4.22Å; F334-K344 HydrophobicContact CE2-CB 3.66Å; F334-K344 HydrophobicContact CE2-CD 4.25Å; F334-K344 HydrophobicContact CE2-CG 3.89Å; F334-K344 HydrophobicContact CZ-CB 4.42Å; F334-K344 HydrophobicContact CZ-CD 4.21Å; F334-K344 HydrophobicContact CZ-CG 4.33Å; F334-I347 HydrophobicContact CB-CD1 3.93Å; F334-I347 HydrophobicContact CD2-CD1 4.23Å
335	D	98.3	Very high	98.1	Very high	28 Å²	28	55.5 Å²	55.5	15%	0.15	32%	0.32	C	S	.	.			trans	-94.9	114.4	170.9	179.9	-28.7	0	0	0	109	Q278 E337 K338 S339	Q278-D335 HydrophobicContact CG-CB 4.27Å; D335-E337 PolarHBondContact O-N 2.99Å; D335-E337 VanDerWaalsContact O-N 3.15Å; D335-E337 PolarHBondContact OD1-N 3.41Å; D335-K338 HydrophobicContact CB-CB 4.22Å; D335-K338 PolarHBondContact O-N 3.26Å; D335-K338 VanDerWaalsContact O-N 3.15Å; D335-K338 PolarHBondContact OD1-N 2.72Å; D335-K338 WeakPolarHBondContact OD2-CG 3.38Å; D335-K338 IonicContact OD2-NZ 2.71Å; D335-K338 PolarHBondContact OD2-NZ 2.81Å; D335-S339 PolarHBondContact N-OG 2.94Å; D335-S339 VanDerWaalsContact N-OG 3.12Å; D335-S339 VanDerWaalsContact O-CB 3.24Å; D335-S339 WeakPolarHBondContact O-CB 3.36Å; D335-S339 PolarHBondContact O-N 3.26Å
336	A	96.9	Very high	98.1	Very high	88 Å²	88	57 Å²	57	73%	0.727	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.9	-176.1	0	0	0	0	0	114.8	F334	F334-A336 HydrophobicContact CE1-CB 4.1Å
337	E	97.3	Very high	98.1	Very high	177 Å²	177	57 Å²	57	83%	0.827	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-22.1	176.8	-61.1	-172.2	159.1	0	0	112.9	D335	D335-E337 PolarHBondContact O-N 2.99Å; D335-E337 VanDerWaalsContact O-N 3.15Å; D335-E337 PolarHBondContact OD1-N 3.41Å
338	K	97.4	Very high	98.1	Very high	157 Å²	157	57 Å²	57	68%	0.683	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.5	-30.7	-168.8	-54.2	-167.8	-164.2	83.4	0	115.4	D335	D335-K338 HydrophobicContact CB-CB 4.22Å; D335-K338 PolarHBondContact O-N 3.26Å; D335-K338 VanDerWaalsContact O-N 3.15Å; D335-K338 PolarHBondContact OD1-N 2.72Å; D335-K338 WeakPolarHBondContact OD2-CG 3.38Å; D335-K338 IonicContact OD2-NZ 2.71Å; D335-K338 PolarHBondContact OD2-NZ 2.81Å
339	S	97.8	Very high	98.1	Very high	35 Å²	35	53 Å²	53	25%	0.245	32%	0.321	C	S	.	.			trans	-72.9	130.9	-177.6	-71.8	0	0	0	0	110.8	D335	D335-S339 PolarHBondContact N-OG 2.94Å; D335-S339 VanDerWaalsContact N-OG 3.12Å; D335-S339 VanDerWaalsContact O-CB 3.24Å; D335-S339 WeakPolarHBondContact O-CB 3.36Å; D335-S339 PolarHBondContact O-N 3.26Å
340	S	98.1	Very high	98.1	Very high	56 Å²	56	52.5 Å²	52.5	39%	0.392	32%	0.322	S	S	.	.			trans	-73	162.7	-179.1	77.3	0	0	0	0	112.1	S342 S343 K344	S340-S342 PolarHBondContact O-N 3.5Å; S340-S342 PolarHBondContact OG-N 3.42Å; S340-S343 PolarHBondContact N-OG 3.47Å; S340-S343 WeakPolarHBondContact O-CA 3.35Å; S340-S343 WeakPolarHBondContact O-CB 3.44Å; S340-S343 PolarHBondContact O-N 3.04Å; S340-S343 PolarHBondContact OG-N 2.93Å; S340-S343 PolarHBondContact OG-OG 3.36Å; S340-K344 PolarHBondContact O-N 3.24Å
341	A	97.4	Very high	98.2	Very high	86 Å²	86	48.2 Å²	48.2	71%	0.711	29%	0.291	S	S	*	.	H	α-helix	trans	-58.6	-34.6	171.2	0	0	0	0	0	112.5	K344 L345	A341-K344 PolarHBondContact O-N 3.17Å; A341-L345 PolarHBondContact O-N 2.86Å
342	S	97.2	Very high	98.2	Very high	90 Å²	90	47.8 Å²	47.8	63%	0.629	29%	0.288	S	S	*	.	H	α-helix	trans	-65.6	-40.7	172.9	-179.5	0	0	0	0	111.7	S340 L345 G346	S340-S342 PolarHBondContact O-N 3.5Å; S340-S342 PolarHBondContact OG-N 3.42Å; S342-L345 PolarHBondContact O-N 3.29Å; S342-G346 PolarHBondContact O-N 3.27Å
343	S	97.9	Very high	98.2	Very high	48 Å²	48	48.5 Å²	48.5	34%	0.336	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-42	174.1	-49.5	0	0	0	0	111.5	S340 G346 I347	S340-S343 PolarHBondContact N-OG 3.47Å; S340-S343 WeakPolarHBondContact O-CA 3.35Å; S340-S343 WeakPolarHBondContact O-CB 3.44Å; S340-S343 PolarHBondContact O-N 3.04Å; S340-S343 PolarHBondContact OG-N 2.93Å; S340-S343 PolarHBondContact OG-OG 3.36Å; S343-G346 PolarHBondContact O-N 3.37Å; S343-I347 VanDerWaalsContact O-CG1 3.28Å; S343-I347 WeakPolarHBondContact O-CG1 3.36Å; S343-I347 PolarHBondContact O-N 2.91Å
344	K	98.4	Very high	98.2	Very high	64 Å²	64	48.4 Å²	48.4	28%	0.278	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-47.7	175	-165.5	-178	176.9	-172.3	0	111.4	Y281 F334 S340 A341 I347 T348	Y281-K344 HydrophobicContact CD1-CG 4.26Å; Y281-K344 HydrophobicContact CE1-CD 4.42Å; Y281-K344 HydrophobicContact CE1-CG 3.54Å; Y281-K344 HydrophobicContact CE2-CD 4.46Å; Y281-K344 HydrophobicContact CE2-CG 4.4Å; Y281-K344 VanDerWaalsContact OH-CE 3.26Å; Y281-K344 WeakPolarHBondContact OH-CE 3.35Å; F334-K344 HydrophobicContact CD2-CB 4.12Å; F334-K344 HydrophobicContact CD2-CG 4.22Å; F334-K344 HydrophobicContact CE2-CB 3.66Å; F334-K344 HydrophobicContact CE2-CD 4.25Å; F334-K344 HydrophobicContact CE2-CG 3.89Å; F334-K344 HydrophobicContact CZ-CB 4.42Å; F334-K344 HydrophobicContact CZ-CD 4.21Å; F334-K344 HydrophobicContact CZ-CG 4.33Å; S340-K344 PolarHBondContact O-N 3.24Å; A341-K344 PolarHBondContact O-N 3.17Å; K344-I347 PolarHBondContact O-N 3.4Å; K344-T348 PolarHBondContact O-N 2.93Å; K344-T348 PolarHBondContact O-OG1 2.96Å
345	L	98.3	Very high	98.2	Very high	39 Å²	39	46.6 Å²	46.6	20%	0.204	28%	0.282	C	S	.	.	H	α-helix	trans	-58.6	-49.3	174.8	173.3	59.9	0	0	0	111.1	A341 S342 I347 T348 M349 L394 V396 Y399	A341-L345 PolarHBondContact O-N 2.86Å; S342-L345 PolarHBondContact O-N 3.29Å; L345-I347 PolarHBondContact O-N 3.37Å; L345-T348 WeakPolarHBondContact O-CB 3.3Å; L345-T348 PolarHBondContact O-N 2.86Å; L345-T348 VanDerWaalsContact O-N 3.08Å; L345-M349 HydrophobicContact CD1-CG 3.74Å; L345-M349 HydrophobicContact CD1-SD 4.19Å; L345-M349 HydrophobicContact CG-CG 4.27Å; L345-M349 VanDerWaalsContact O-CG 3.31Å; L345-M349 WeakPolarHBondContact O-CG 3.28Å; L345-M349 PolarHBondContact O-N 2.97Å; L345-L394 HydrophobicContact CD1-CB 4.37Å; L345-L394 HydrophobicContact CD1-CD1 4.22Å; L345-V396 HydrophobicContact CD1-CG1 3.54Å; L345-Y399 HydrophobicContact CD2-CD2 4.06Å; L345-Y399 HydrophobicContact CD2-CE2 4.01Å
346	G	98.3	Very high	98.3	Very high	32 Å²	32	45.2 Å²	45.2	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-54.9	-49.5	178.2	0	0	0	0	0	113	S342 S343 T348 M349 T350	S342-G346 PolarHBondContact O-N 3.27Å; S343-G346 PolarHBondContact O-N 3.37Å; G346-T348 VanDerWaalsContact C-N 3.3Å; G346-T348 PolarHBondContact O-N 2.9Å; G346-M349 PolarHBondContact O-N 2.88Å; G346-T350 PolarHBondContact O-N 3.38Å; G346-T350 PolarHBondContact O-OG1 3Å
347	I	98.8	Very high	98.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-43.6	175.3	-66.2	163.1	0	0	0	111	Y281 A282 L333 F334 S343 K344 L345 M349 T350 V351	Y281-I347 HydrophobicContact CD1-CG2 4.14Å; Y281-I347 HydrophobicContact CE1-CG2 4.26Å; A282-I347 HydrophobicContact CB-CG2 4.48Å; L333-I347 WeakPolarHBondContact O-CD1 3.48Å; F334-I347 HydrophobicContact CB-CD1 3.93Å; F334-I347 HydrophobicContact CD2-CD1 4.23Å; S343-I347 VanDerWaalsContact O-CG1 3.28Å; S343-I347 WeakPolarHBondContact O-CG1 3.36Å; S343-I347 PolarHBondContact O-N 2.91Å; K344-I347 PolarHBondContact O-N 3.4Å; L345-I347 PolarHBondContact O-N 3.37Å; I347-M349 PolarHBondContact O-N 3.48Å; I347-T350 PolarHBondContact O-N 2.96Å; I347-V351 HydrophobicContact CG2-CG2 4.36Å; I347-V351 WeakPolarHBondContact O-CB 3.39Å; I347-V351 VanDerWaalsContact O-CG2 3.26Å; I347-V351 WeakPolarHBondContact O-CG2 3.49Å; I347-V351 PolarHBondContact O-N 2.82Å
348	T	98.8	Very high	98.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-44.6	179.4	-42.9	0	0	0	0	111.7	Y281 K344 L345 G346 A352 V387 L394	Y281-T348 PolarHBondContact OH-OG1 2.9Å; K344-T348 PolarHBondContact O-N 2.93Å; K344-T348 PolarHBondContact O-OG1 2.96Å; L345-T348 WeakPolarHBondContact O-CB 3.3Å; L345-T348 PolarHBondContact O-N 2.86Å; L345-T348 VanDerWaalsContact O-N 3.08Å; G346-T348 VanDerWaalsContact C-N 3.3Å; G346-T348 PolarHBondContact O-N 2.9Å; T348-A352 VanDerWaalsContact O-CB 3.29Å; T348-A352 WeakPolarHBondContact O-CB 3.39Å; T348-A352 PolarHBondContact O-N 3.31Å; T348-V387 HydrophobicContact CG2-CG1 3.82Å; T348-V387 HydrophobicContact CG2-CG2 4Å; T348-L394 HydrophobicContact CG2-CD1 3.96Å
349	M	98.8	Very high	98.5	Very high	20 Å²	20	25.4 Å²	25.4	10%	0.099	17%	0.17	C	C	.	.	H	α-helix	trans	-68.9	-43.8	-179.9	-62.9	-63.8	-83.3	0	0	111.1	L345 G346 I347 A352 H353 E383 F384 V387 V396	L345-M349 HydrophobicContact CD1-CG 3.74Å; L345-M349 HydrophobicContact CD1-SD 4.19Å; L345-M349 HydrophobicContact CG-CG 4.27Å; L345-M349 VanDerWaalsContact O-CG 3.31Å; L345-M349 WeakPolarHBondContact O-CG 3.28Å; L345-M349 PolarHBondContact O-N 2.97Å; G346-M349 PolarHBondContact O-N 2.88Å; I347-M349 PolarHBondContact O-N 3.48Å; M349-A352 WeakPolarHBondContact O-CB 3.5Å; M349-A352 PolarHBondContact O-N 2.79Å; M349-H353 WeakPolarHBondContact O-CB 3.43Å; M349-H353 PolarHBondContact O-N 3.08Å; M349-E383 HydrophobicContact CE-CB 3.62Å; M349-E383 HydrophobicContact CE-CG 4.5Å; M349-E383 WeakPolarHBondContact CE-OE2 3.46Å; M349-E383 WeakPolarHBondContact O-CG 3.21Å; M349-E383 HydrophobicContact SD-CB 4.18Å; M349-F384 HydrophobicContact CE-CD1 3.9Å; M349-F384 HydrophobicContact CE-CD2 3.92Å; M349-F384 HydrophobicContact CE-CE1 3.63Å; M349-F384 HydrophobicContact CE-CE2 3.66Å; M349-F384 HydrophobicContact CE-CG 4.04Å; M349-F384 HydrophobicContact CE-CZ 3.51Å; M349-V387 HydrophobicContact SD-CB 3.97Å; M349-V387 HydrophobicContact SD-CG1 4.05Å; M349-V387 HydrophobicContact SD-CG2 3.88Å; M349-V396 HydrophobicContact CE-CB 4.37Å; M349-V396 HydrophobicContact SD-CB 4.24Å; M349-V396 HydrophobicContact SD-CG1 3.86Å
350	T	98.8	Very high	98.5	Very high	34 Å²	34	23.8 Å²	23.8	21%	0.209	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-45.3	176.1	-55.5	0	0	0	0	111.8	A318 Y327 A331 G346 I347 A352 H353 E354	A318-T350 HydrophobicContact CB-CG2 3.57Å; Y327-T350 HydrophobicContact CD1-CG2 3.95Å; Y327-T350 HydrophobicContact CE1-CG2 4.06Å; A331-T350 HydrophobicContact CB-CG2 4.19Å; G346-T350 PolarHBondContact O-N 3.38Å; G346-T350 PolarHBondContact O-OG1 3Å; I347-T350 PolarHBondContact O-N 2.96Å; T350-A352 VanDerWaalsContact C-N 3.25Å; T350-A352 PolarHBondContact O-N 3.3Å; T350-H353 WeakPolarHBondContact O-CB 3.48Å; T350-H353 PolarHBondContact O-N 3.1Å; T350-H353 VanDerWaalsContact O-N 3.09Å; T350-E354 HydrophobicContact CG2-CG 4.4Å; T350-E354 WeakPolarHBondContact O-CG 3.3Å; T350-E354 PolarHBondContact O-N 3.14Å
351	V	98.9	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-36.9	174.1	173.3	0	0	0	0	111.3	A286 L289 L308 Y327 L332 I347 L355	A286-V351 HydrophobicContact CB-CG1 3.82Å; L289-V351 HydrophobicContact CD1-CB 4.37Å; L289-V351 HydrophobicContact CD1-CG1 3.88Å; L308-V351 HydrophobicContact CD2-CG1 4.16Å; L308-V351 HydrophobicContact CD2-CG2 4.24Å; Y327-V351 HydrophobicContact CE1-CG2 4.19Å; L332-V351 HydrophobicContact CD1-CG2 3.79Å; I347-V351 HydrophobicContact CG2-CG2 4.36Å; I347-V351 WeakPolarHBondContact O-CB 3.39Å; I347-V351 VanDerWaalsContact O-CG2 3.26Å; I347-V351 WeakPolarHBondContact O-CG2 3.49Å; I347-V351 PolarHBondContact O-N 2.82Å; V351-L355 HydrophobicContact CG1-CD1 3.87Å; V351-L355 HydrophobicContact CG1-CG 4.45Å; V351-L355 WeakPolarHBondContact O-CB 3.3Å; V351-L355 WeakPolarHBondContact O-CG 3.22Å; V351-L355 PolarHBondContact O-N 2.98Å
352	A	98.9	Very high	98.6	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67	-35.8	174.7	0	0	0	0	0	113.2	L289 Y293 T348 M349 T350 A356 E383 V387	L289-A352 HydrophobicContact CD1-CB 3.9Å; L289-A352 HydrophobicContact CD2-CB 3.91Å; Y293-A352 WeakPolarHBondContact CE2-O 3.48Å; Y293-A352 PolarHBondContact OH-O 3.18Å; T348-A352 VanDerWaalsContact O-CB 3.29Å; T348-A352 WeakPolarHBondContact O-CB 3.39Å; T348-A352 PolarHBondContact O-N 3.31Å; M349-A352 WeakPolarHBondContact O-CB 3.5Å; M349-A352 PolarHBondContact O-N 2.79Å; T350-A352 VanDerWaalsContact C-N 3.25Å; T350-A352 PolarHBondContact O-N 3.3Å; A352-A356 WeakPolarHBondContact O-CB 3.27Å; A352-A356 PolarHBondContact O-N 3.36Å; A352-E383 HydrophobicContact CB-CG 4.47Å; A352-V387 HydrophobicContact CB-CG2 3.53Å
353	H	98.9	Very high	98.7	Very high	15 Å²	15	13 Å²	13	7%	0.069	8%	0.077	C	C	.	.	H	α-helix	trans	-63.8	-58.4	176.2	-164.5	81.9	0	0	0	111.1	M349 T350 L355 A356 H357 E376 K380 E383 Y438	M349-H353 WeakPolarHBondContact O-CB 3.43Å; M349-H353 PolarHBondContact O-N 3.08Å; T350-H353 WeakPolarHBondContact O-CB 3.48Å; T350-H353 PolarHBondContact O-N 3.1Å; T350-H353 VanDerWaalsContact O-N 3.09Å; H353-L355 PolarHBondContact O-N 2.68Å; H353-A356 WeakPolarHBondContact O-CB 3.31Å; H353-A356 PolarHBondContact O-N 3.39Å; H353-H357 AromaticContact CD2-CD2 3.64Å; H353-H357 AromaticContact CD2-NE2 3.24Å; H353-H357 PolarHBondContact CD2-NE2 3.4Å; H353-H357 AromaticContact CE1-NE2 3.81Å; H353-H357 AromaticContact NE2-NE2 3.17Å; H353-H357 PolarHBondContact NE2-NE2 3.07Å; H353-H357 VanDerWaalsContact NE2-NE2 3.17Å; H353-H357 PolarHBondContact O-CD2 2.85Å; H353-H357 VanDerWaalsContact O-CD2 3.22Å; H353-H357 PolarHBondContact O-N 3.22Å; H353-H357 VanDerWaalsContact O-N 3.09Å; H353-E376 IonicContact NE2-OE2 2.71Å; H353-K380 PolarHBondContact CE1-N 3.2Å; H353-K380 PolarHBondContact ND1-N 2.76Å; H353-E383 HydrophobicContact CB-CG 3.91Å; H353-E383 IonicContact CE1-OE1 2.72Å; H353-E383 IonicContact CG-OE1 2.7Å; H353-E383 IonicContact ND1-OE1 3.76Å; H353-E383 PolarHBondContact ND1-OE1 3.38Å; H353-Y438 AromaticContact CE1-CE1 3.83Å; H353-Y438 AromaticContact NE2-CE1 3.61Å
354	E	98.9	Very high	98.7	Very high	7 Å²	7	10.8 Å²	10.8	3%	0.033	6%	0.062	C	C	.	.	H	α-helix	trans	-58.8	-34.5	-179.3	-56	-37.5	120.6	0	0	112.7	A318 M319 E320 T325 Y327 T350 Q358	A318-E354 HydrophobicContact CB-CG 3.69Å; A318-E354 VanDerWaalsContact CB-OE1 3.31Å; A318-E354 WeakPolarHBondContact CB-OE1 3.18Å; M319-E354 WeakPolarHBondContact CA-OE2 3.49Å; M319-E354 PolarHBondContact N-OE2 2.83Å; E320-E354 WeakPolarHBondContact CA-OE2 3.46Å; E320-E354 PolarHBondContact N-OE2 2.86Å; E320-E354 VanDerWaalsContact N-OE2 3.12Å; T325-E354 HydrophobicContact CG2-CB 4.06Å; Y327-E354 HydrophobicContact CD1-CG 4.34Å; Y327-E354 HydrophobicContact CE1-CB 4.27Å; Y327-E354 HydrophobicContact CE1-CG 3.42Å; Y327-E354 VanDerWaalsContact CE1-CG 3.42Å; Y327-E354 VanDerWaalsContact OH-CB 3.27Å; Y327-E354 WeakPolarHBondContact OH-CB 3.34Å; Y327-E354 WeakPolarHBondContact OH-CG 3.37Å; T350-E354 HydrophobicContact CG2-CG 4.4Å; T350-E354 WeakPolarHBondContact O-CG 3.3Å; T350-E354 PolarHBondContact O-N 3.14Å; E354-Q358 PolarHBondContact O-NE2 3.46Å
355	L	98.9	Very high	98.7	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-77.6	-28.6	176.8	-66.3	-179.5	0	0	0	112.8	A286 L289 L290 Y293 Q306 V351 H353 Q358 W359	A286-L355 HydrophobicContact CB-CD1 4.03Å; A286-L355 WeakPolarHBondContact O-CD1 3.47Å; L289-L355 HydrophobicContact CB-CD1 3.83Å; L290-L355 HydrophobicContact CB-CD1 4.33Å; L290-L355 HydrophobicContact CD1-CD2 4.34Å; Y293-L355 HydrophobicContact CD2-CB 3.93Å; Y293-L355 HydrophobicContact CE2-CB 3.71Å; Q306-L355 HydrophobicContact CG-CD2 3.94Å; V351-L355 HydrophobicContact CG1-CD1 3.87Å; V351-L355 HydrophobicContact CG1-CG 4.45Å; V351-L355 WeakPolarHBondContact O-CB 3.3Å; V351-L355 WeakPolarHBondContact O-CG 3.22Å; V351-L355 PolarHBondContact O-N 2.98Å; H353-L355 PolarHBondContact O-N 2.68Å; L355-Q358 HydrophobicContact CD2-CG 4.46Å; L355-Q358 WeakPolarHBondContact O-CB 3.36Å; L355-Q358 WeakPolarHBondContact O-CG 3.16Å; L355-Q358 PolarHBondContact O-N 3.14Å; L355-W359 VanDerWaalsContact O-CE3 3.32Å; L355-W359 VanDerWaalsContact O-CZ3 3.31Å; L355-W359 WeakPolarHBondContact O-CZ3 3.49Å
356	A	98.9	Very high	98.8	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-66.2	-39.6	170.7	0	0	0	0	0	111.7	Y293 A352 H353 Q358 W359 F360 A379 M382	Y293-A356 HydrophobicContact CE1-CB 4.28Å; Y293-A356 HydrophobicContact CE2-CB 4.29Å; A352-A356 WeakPolarHBondContact O-CB 3.27Å; A352-A356 PolarHBondContact O-N 3.36Å; H353-A356 WeakPolarHBondContact O-CB 3.31Å; H353-A356 PolarHBondContact O-N 3.39Å; A356-Q358 PolarHBondContact O-N 2.81Å; A356-Q358 VanDerWaalsContact O-N 3.15Å; A356-W359 PolarHBondContact O-N 3.28Å; A356-F360 PolarHBondContact O-N 3.41Å; A356-A379 HydrophobicContact CB-CB 4.26Å; A356-M382 HydrophobicContact CB-CB 3.68Å; A356-M382 HydrophobicContact CB-CG 4.41Å
357	H	98.9	Very high	98.8	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-60.1	-23.2	178.1	-77.9	-71.3	0	0	0	114.3	E320 H353 W359 F360 G361 N362 E376 A379	E320-H357 HydrophobicContact CB-CB 3.35Å; E320-H357 HydrophobicContact CG-CB 3.62Å; E320-H357 IonicContact OE1-ND1 2.86Å; H353-H357 AromaticContact CD2-CD2 3.64Å; H353-H357 AromaticContact CD2-NE2 3.24Å; H353-H357 PolarHBondContact CD2-NE2 3.4Å; H353-H357 AromaticContact CE1-NE2 3.81Å; H353-H357 AromaticContact NE2-NE2 3.17Å; H353-H357 PolarHBondContact NE2-NE2 3.07Å; H353-H357 VanDerWaalsContact NE2-NE2 3.17Å; H353-H357 PolarHBondContact O-CD2 2.85Å; H353-H357 VanDerWaalsContact O-CD2 3.22Å; H353-H357 PolarHBondContact O-N 3.22Å; H353-H357 VanDerWaalsContact O-N 3.09Å; H357-W359 PolarHBondContact O-N 2.86Å; H357-F360 WeakPolarHBondContact CA-O 3.4Å; H357-F360 PolarHBondContact ND1-O 2.99Å; H357-F360 CarbonylContact O-C 3.57Å; H357-F360 PolarHBondContact O-N 3.31Å; H357-G361 PolarHBondContact O-N 3.3Å; H357-N362 WeakPolarHBondContact O-CB 3.49Å; H357-N362 PolarHBondContact O-N 2.81Å; H357-E376 IonicContact CE1-OE1 3.88Å; H357-E376 PolarHBondContact CE1-OE1 3.42Å; H357-E376 VanDerWaalsContact CE1-OE1 3.3Å; H357-E376 IonicContact CE1-OE2 3.22Å; H357-E376 PolarHBondContact CE1-OE2 3.24Å; H357-E376 IonicContact NE2-OE2 3.33Å; H357-A379 WeakPolarHBondContact CE1-CB 3.48Å; H357-A379 WeakPolarHBondContact NE2-CB 3.46Å
358	Q	98.9	Very high	98.8	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.009	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.5	173.9	-50.8	-52.7	-53.8	0	0	112.1	Y301 E320 E354 L355 A356 N362 L363	Y301-Q358 HydrophobicContact CD2-CB 4.04Å; Y301-Q358 HydrophobicContact CD2-CG 4.38Å; Y301-Q358 HydrophobicContact CE2-CB 3.89Å; Y301-Q358 HydrophobicContact CE2-CG 3.88Å; E320-Q358 PolarHBondContact O-NE2 2.84Å; E354-Q358 PolarHBondContact O-NE2 3.46Å; L355-Q358 HydrophobicContact CD2-CG 4.46Å; L355-Q358 WeakPolarHBondContact O-CB 3.36Å; L355-Q358 WeakPolarHBondContact O-CG 3.16Å; L355-Q358 PolarHBondContact O-N 3.14Å; A356-Q358 PolarHBondContact O-N 2.81Å; A356-Q358 VanDerWaalsContact O-N 3.15Å; Q358-N362 VanDerWaalsContact CD-ND2 3.3Å; Q358-N362 PolarHBondContact NE2-ND2 3.37Å; Q358-N362 PolarHBondContact OE1-ND2 3.39Å; Q358-L363 WeakPolarHBondContact O-CB 3.42Å; Q358-L363 PolarHBondContact O-N 2.85Å
359	W	98.9	Very high	98.8	Very high	3 Å²	3	8.9 Å²	8.9	1%	0.011	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-49	166.9	-67.9	-98.9	0	0	0	112.5	L290 Y293 E294 F297 I299 Y301 L355 A356 H357 G361 V364 L465	L290-W359 HydrophobicContact CD1-CH2 3.72Å; L290-W359 HydrophobicContact CD1-CZ3 3.97Å; Y293-W359 HydrophobicContact CD2-CZ3 4.16Å; Y293-W359 HydrophobicContact CG-CE3 4.42Å; Y293-W359 HydrophobicContact CG-CZ3 4.05Å; E294-W359 HydrophobicContact CG-CH2 4.07Å; E294-W359 HydrophobicContact CG-CZ2 3.92Å; F297-W359 HydrophobicContact CD2-CB 4.22Å; F297-W359 AromaticContact CD2-CD1 3.75Å; F297-W359 AromaticContact CD2-CD2 3.61Å; F297-W359 HydrophobicContact CD2-CD2 3.61Å; F297-W359 AromaticContact CD2-CE2 3.82Å; F297-W359 HydrophobicContact CD2-CE3 4.17Å; F297-W359 AromaticContact CD2-CG 3.6Å; F297-W359 HydrophobicContact CD2-CG 3.6Å; F297-W359 AromaticContact CD2-NE1 3.86Å; F297-W359 HydrophobicContact CE2-CB 4.11Å; F297-W359 AromaticContact CE2-CD2 3.87Å; F297-W359 HydrophobicContact CE2-CD2 3.87Å; F297-W359 HydrophobicContact CE2-CE3 4.05Å; F297-W359 AromaticContact CE2-CG 3.9Å; F297-W359 HydrophobicContact CE2-CG 3.9Å; F297-W359 HydrophobicContact CG-CG 4.43Å; I299-W359 WeakPolarHBondContact O-CZ2 3.37Å; I299-W359 PolarHBondContact O-NE1 3.06Å; I299-W359 VanDerWaalsContact O-NE1 3.14Å; Y301-W359 HydrophobicContact CD2-CH2 4.43Å; L355-W359 VanDerWaalsContact O-CE3 3.32Å; L355-W359 VanDerWaalsContact O-CZ3 3.31Å; L355-W359 WeakPolarHBondContact O-CZ3 3.49Å; A356-W359 PolarHBondContact O-N 3.28Å; H357-W359 PolarHBondContact O-N 2.86Å; W359-G361 PolarHBondContact O-N 3.44Å; W359-V364 PolarHBondContact O-N 3.13Å; W359-V364 VanDerWaalsContact O-N 3.13Å; W359-L465 HydrophobicContact CB-CD1 4.09Å; W359-L465 HydrophobicContact CB-CD2 4.12Å; W359-L465 HydrophobicContact CG-CD1 4.46Å
360	F	98.7	Very high	98.7	Very high	1 Å²	1	10.1 Å²	10.1	0%	0.004	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-97.5	73.8	-177.2	-66.3	-75.7	0	0	0	112.7	F297 A356 H357 F378 M382 I461 Y464 L465	F297-F360 AromaticContact CE1-CE2 3.72Å; F297-F360 HydrophobicContact CE1-CE2 3.72Å; F297-F360 HydrophobicContact CE1-CZ 4.31Å; F297-F360 HydrophobicContact CE2-CE2 4.5Å; F297-F360 HydrophobicContact CZ-CD2 4.21Å; F297-F360 AromaticContact CZ-CE2 3.58Å; F297-F360 HydrophobicContact CZ-CE2 3.58Å; A356-F360 PolarHBondContact O-N 3.41Å; H357-F360 WeakPolarHBondContact CA-O 3.4Å; H357-F360 PolarHBondContact ND1-O 2.99Å; H357-F360 CarbonylContact O-C 3.57Å; H357-F360 PolarHBondContact O-N 3.31Å; F360-F378 HydrophobicContact CB-CB 3.86Å; F360-F378 HydrophobicContact CD1-CB 3.63Å; F360-F378 AromaticContact CD1-CD1 3.75Å; F360-F378 HydrophobicContact CD1-CD1 3.75Å; F360-F378 HydrophobicContact CD1-CD2 4.24Å; F360-F378 HydrophobicContact CD1-CE1 4.49Å; F360-F378 AromaticContact CD1-CG 3.59Å; F360-F378 HydrophobicContact CD1-CG 3.59Å; F360-F378 HydrophobicContact CD2-CB 4.07Å; F360-F378 HydrophobicContact CD2-CD1 4.4Å; F360-F378 HydrophobicContact CE1-CB 4.09Å; F360-F378 AromaticContact CE1-CD1 3.26Å; F360-F378 HydrophobicContact CE1-CD1 3.26Å; F360-F378 HydrophobicContact CE1-CD2 4.31Å; F360-F378 AromaticContact CE1-CE1 3.69Å; F360-F378 HydrophobicContact CE1-CE1 3.69Å; F360-F378 AromaticContact CE1-CG 3.61Å; F360-F378 HydrophobicContact CE1-CG 3.61Å; F360-F378 HydrophobicContact CE1-CZ 4.37Å; F360-F378 HydrophobicContact CE2-CB 4.47Å; F360-F378 AromaticContact CE2-CD1 3.98Å; F360-F378 HydrophobicContact CE2-CD1 3.98Å; F360-F378 HydrophobicContact CG-CB 3.61Å; F360-F378 HydrophobicContact CG-CD1 4.28Å; F360-F378 HydrophobicContact CG-CG 4.08Å; F360-F378 HydrophobicContact CZ-CB 4.46Å; F360-F378 AromaticContact CZ-CD1 3.37Å; F360-F378 HydrophobicContact CZ-CD1 3.37Å; F360-F378 AromaticContact CZ-CE1 3.86Å; F360-F378 HydrophobicContact CZ-CE1 3.86Å; F360-F378 HydrophobicContact CZ-CG 4.1Å; F360-M382 HydrophobicContact CD2-CG 4.22Å; F360-M382 HydrophobicContact CE2-CG 3.92Å; F360-M382 HydrophobicContact CE2-SD 4.48Å; F360-I461 HydrophobicContact CE2-CG2 4.38Å; F360-I461 HydrophobicContact CZ-CD1 4.21Å; F360-I461 HydrophobicContact CZ-CG1 4.23Å; F360-I461 HydrophobicContact CZ-CG2 3.64Å; F360-Y464 HydrophobicContact CD1-CE1 4.38Å; F360-Y464 HydrophobicContact CE1-CD1 4.29Å; F360-Y464 HydrophobicContact CE1-CE1 4.14Å; F360-L465 HydrophobicContact CD1-CD2 4.06Å; F360-L465 HydrophobicContact CE1-CD1 4.49Å; F360-L465 HydrophobicContact CE1-CD2 3.94Å; F360-L465 HydrophobicContact CE1-CG 4.31Å; F360-L465 HydrophobicContact CE2-CD1 4.31Å; F360-L465 HydrophobicContact CZ-CD1 4.08Å; F360-L465 HydrophobicContact CZ-CD2 4.33Å; F360-L465 HydrophobicContact CZ-CG 4.37Å
361	G	98.1	Very high	98.7	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	150	-45.6	179.8	0	0	0	0	0	111	Y245 H357 W359 V364 T365 N375	Y245-G361 PolarHBondContact OH-O 3.47Å; H357-G361 PolarHBondContact O-N 3.3Å; W359-G361 PolarHBondContact O-N 3.44Å; G361-V364 CarbonylContact C-O 3.37Å; G361-V364 VanDerWaalsContact CA-O 3.27Å; G361-V364 WeakPolarHBondContact CA-O 3.44Å; G361-V364 PolarHBondContact N-O 2.94Å; G361-T365 WeakPolarHBondContact O-CB 3.01Å; G361-T365 WeakPolarHBondContact O-CG2 3.37Å; G361-T365 PolarHBondContact O-OG1 2.63Å; G361-N375 VanDerWaalsContact CA-CG 3.46Å; G361-N375 WeakPolarHBondContact CA-ND2 3.34Å
362	N	98.6	Very high	98.7	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-64.5	-177.6	-65.8	-3.6	0	0	0	111.9	K200 L246 E320 W322 H357 Q358	K200-N362 PolarHBondContact NZ-O 3.15Å; L246-N362 HydrophobicContact CD1-CB 4.14Å; L246-N362 WeakPolarHBondContact CD1-OD1 3.27Å; L246-N362 WeakPolarHBondContact CD2-OD1 3.39Å; E320-N362 WeakPolarHBondContact CG-OD1 3.35Å; E320-N362 PolarHBondContact O-ND2 3.45Å; W322-N362 WeakPolarHBondContact CA-ND2 3.41Å; W322-N362 HydrophobicContact CB-CB 4.43Å; W322-N362 HydrophobicContact CD2-CB 3.61Å; W322-N362 HydrophobicContact CE3-CB 3.75Å; W322-N362 HydrophobicContact CG-CB 3.94Å; W322-N362 HydrophobicContact CH2-CB 4.37Å; W322-N362 HydrophobicContact CZ2-CB 4.23Å; W322-N362 HydrophobicContact CZ3-CB 4.14Å; W322-N362 WeakPolarHBondContact CZ3-O 3.37Å; H357-N362 WeakPolarHBondContact O-CB 3.49Å; H357-N362 PolarHBondContact O-N 2.81Å; Q358-N362 VanDerWaalsContact CD-ND2 3.3Å; Q358-N362 PolarHBondContact NE2-ND2 3.37Å; Q358-N362 PolarHBondContact OE1-ND2 3.39Å
363	L	98.8	Very high	98.7	Very high	4 Å²	4	9 Å²	9	2%	0.021	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-50.2	179.4	-176.9	64.5	0	0	0	111.6	K200 I299 W322 Q358 Y470	K200-L363 PolarHBondContact NZ-O 3.33Å; I299-L363 HydrophobicContact CG2-CD2 3.92Å; W322-L363 HydrophobicContact CH2-CB 4.16Å; W322-L363 HydrophobicContact CH2-CD1 4.16Å; W322-L363 HydrophobicContact CZ2-CB 4.26Å; W322-L363 HydrophobicContact CZ2-CD1 4.47Å; Q358-L363 WeakPolarHBondContact O-CB 3.42Å; Q358-L363 PolarHBondContact O-N 2.85Å; L363-Y470 HydrophobicContact CD1-CD1 4.01Å; L363-Y470 HydrophobicContact CD1-CD2 4.15Å; L363-Y470 HydrophobicContact CD1-CE1 3.75Å; L363-Y470 HydrophobicContact CD1-CE2 3.9Å; L363-Y470 HydrophobicContact CD1-CG 4.21Å; L363-Y470 WeakPolarHBondContact O-CA 3.42Å; L363-Y470 PolarHBondContact O-N 3.4Å
364	V	98.9	Very high	98.7	Very high	2 Å²	2	8.4 Å²	8.4	1%	0.012	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.4	171.7	-173.7	0	0	0	0	108.1	W359 G361 Y464 L465 H468 T473	W359-V364 PolarHBondContact O-N 3.13Å; W359-V364 VanDerWaalsContact O-N 3.13Å; G361-V364 CarbonylContact C-O 3.37Å; G361-V364 VanDerWaalsContact CA-O 3.27Å; G361-V364 WeakPolarHBondContact CA-O 3.44Å; G361-V364 PolarHBondContact N-O 2.94Å; V364-Y464 HydrophobicContact CG1-CE1 4.01Å; V364-L465 HydrophobicContact CB-CD2 4.27Å; V364-L465 HydrophobicContact CG2-CD2 3.86Å; V364-H468 HydrophobicContact CG1-CB 3.78Å; V364-H468 HydrophobicContact CG2-CB 4.07Å; V364-T473 HydrophobicContact CG1-CG2 3.64Å
365	T	98.8	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.8	-174.9	-44.8	0	0	0	0	109	P197 K200 Y245 G361 K471 N472 T473	P197-T365 HydrophobicContact CB-CG2 4.06Å; K200-T365 WeakPolarHBondContact CE-OG1 3.5Å; K200-T365 PolarHBondContact NZ-OG1 3.43Å; Y245-T365 HydrophobicContact CE1-CG2 3.98Å; G361-T365 WeakPolarHBondContact O-CB 3.01Å; G361-T365 WeakPolarHBondContact O-CG2 3.37Å; G361-T365 PolarHBondContact O-OG1 2.63Å; T365-K471 PolarHBondContact N-O 3.45Å; T365-N472 CarbonylContact O-C 3.52Å; T365-N472 WeakPolarHBondContact O-CA 3.1Å; T365-N472 WeakPolarHBondContact O-CB 3.46Å; T365-T473 PolarHBondContact O-N 3.36Å; T365-T473 PolarHBondContact O-OG1 3.25Å
366	M	98.7	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	146.7	165.1	69	-61.4	-168.6	0	0	112.2	W368 W369 D371 L372 L374 N375 N472 T473	M366-W368 VanDerWaalsContact C-N 3.33Å; M366-W368 WeakPolarHBondContact CG-O 3.33Å; M366-W369 HydrophobicContact CE-CD2 4.01Å; M366-W369 HydrophobicContact CE-CE3 3.27Å; M366-W369 HydrophobicContact CE-CH2 3.67Å; M366-W369 HydrophobicContact CE-CZ2 4.38Å; M366-W369 HydrophobicContact CE-CZ3 3.07Å; M366-D371 HydrophobicContact CB-CB 4.22Å; M366-D371 WeakPolarHBondContact CB-O 3.34Å; M366-L372 HydrophobicContact CE-CD1 3.78Å; M366-L374 HydrophobicContact CB-CD1 4.44Å; M366-N375 VanDerWaalsContact SD-CG 3.57Å; M366-N375 PolarHBondContact SD-ND2 2.82Å; M366-N375 VanDerWaalsContact SD-ND2 3.42Å; M366-N375 PolarHBondContact SD-OD1 3.37Å; M366-N472 PolarHBondContact O-ND2 3.26Å; M366-T473 CarbonylContact C-O 3.58Å; M366-T473 WeakPolarHBondContact CA-O 3.39Å
367	E	98.7	Very high	98.6	Very high	74 Å²	74	8.1 Å²	8.1	35%	0.346	4%	0.039	S	C	.	.	S	Bend	trans	-68.4	-36.5	175.6	-168.4	-171.7	-86.5	0	0	111.2	A198 N472 T473 K474	A198-E367 HydrophobicContact CB-CG 4.1Å; E367-N472 HydrophobicContact CB-CB 4.15Å; E367-T473 PolarHBondContact N-O 2.97Å; E367-K474 HydrophobicContact CB-CG 4.33Å; E367-K474 WeakPolarHBondContact OE1-CE 3.13Å; E367-K474 IonicContact OE1-NZ 2.69Å; E367-K474 PolarHBondContact OE1-NZ 2.98Å; E367-K474 WeakPolarHBondContact OE2-CE 3.27Å; E367-K474 IonicContact OE2-NZ 2.78Å; E367-K474 PolarHBondContact OE2-NZ 3.44Å
368	W	98.8	Very high	98.6	Very high	20 Å²	20	8.1 Å²	8.1	8%	0.076	4%	0.039	C	C	.	.	S	Bend	trans	-150.7	159.7	176.1	-176.8	-113.5	0	0	0	110.6	R53 E196 P197 M366 N370 D371 V423 I429	R53-W368 VanDerWaalsContact CD-CH2 3.5Å; E196-W368 HydrophobicContact CB-CE3 4.4Å; E196-W368 HydrophobicContact CB-CZ3 3.9Å; E196-W368 HydrophobicContact CG-CZ3 3.89Å; P197-W368 HydrophobicContact CG-CE3 4.48Å; M366-W368 VanDerWaalsContact C-N 3.33Å; M366-W368 WeakPolarHBondContact CG-O 3.33Å; W368-N370 WeakPolarHBondContact CB-OD1 3.42Å; W368-N370 VanDerWaalsContact CD1-OD1 3.27Å; W368-N370 PolarHBondContact O-N 2.85Å; W368-D371 PolarHBondContact O-N 2.86Å; W368-D371 VanDerWaalsContact O-N 3.08Å; W368-V423 PolarHBondContact NE1-O 2.86Å; W368-I429 HydrophobicContact CH2-CD1 3.87Å; W368-I429 HydrophobicContact CZ2-CD1 3.76Å; W368-I429 HydrophobicContact CZ2-CG1 4.4Å
369	W	98.6	Very high	98.6	Very high	2 Å²	2	8 Å²	8	1%	0.008	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-60.1	-11.4	-173.5	-55.4	103.8	0	0	0	115.4	E183 P184 P197 Y245 M366 D371 L372 V423 I429 F433	E183-W369 HydrophobicContact CG-CH2 3.78Å; E183-W369 HydrophobicContact CG-CZ3 3.95Å; E183-W369 WeakPolarHBondContact OE1-CZ3 3.35Å; P184-W369 HydrophobicContact CB-CD2 4.15Å; P184-W369 HydrophobicContact CB-CE3 4.02Å; P184-W369 HydrophobicContact CB-CH2 3.68Å; P184-W369 HydrophobicContact CB-CZ2 3.75Å; P184-W369 HydrophobicContact CB-CZ3 3.78Å; P184-W369 WeakPolarHBondContact O-CZ2 3.45Å; P197-W369 HydrophobicContact CB-CZ2 4.47Å; P197-W369 HydrophobicContact CG-CZ2 4.06Å; Y245-W369 HydrophobicContact CD1-CH2 4.11Å; Y245-W369 HydrophobicContact CD1-CZ2 4.45Å; Y245-W369 HydrophobicContact CE1-CH2 4.36Å; Y245-W369 HydrophobicContact CG-CH2 4.21Å; M366-W369 HydrophobicContact CE-CD2 4.01Å; M366-W369 HydrophobicContact CE-CE3 3.27Å; M366-W369 HydrophobicContact CE-CH2 3.67Å; M366-W369 HydrophobicContact CE-CZ2 4.38Å; M366-W369 HydrophobicContact CE-CZ3 3.07Å; W369-D371 PolarHBondContact O-N 3.03Å; W369-L372 HydrophobicContact CE3-CD1 4.08Å; W369-L372 HydrophobicContact CZ3-CD1 4.12Å; W369-L372 WeakPolarHBondContact O-CB 3.42Å; W369-L372 PolarHBondContact O-N 2.69Å; W369-V423 HydrophobicContact CB-CG2 3.84Å; W369-I429 HydrophobicContact CB-CB 4.43Å; W369-I429 HydrophobicContact CB-CG1 4.09Å; W369-I429 HydrophobicContact CB-CG2 3.75Å; W369-I429 HydrophobicContact CD2-CG2 3.55Å; W369-I429 HydrophobicContact CE3-CG2 4.02Å; W369-I429 HydrophobicContact CG-CB 4.35Å; W369-I429 HydrophobicContact CG-CD1 4.31Å; W369-I429 HydrophobicContact CG-CG1 4.08Å; W369-I429 HydrophobicContact CG-CG2 3.37Å; W369-F433 HydrophobicContact CE3-CE2 4.33Å; W369-F433 HydrophobicContact CE3-CZ 4.21Å; W369-F433 HydrophobicContact CZ3-CE2 4.4Å; W369-F433 AromaticContact CZ3-CZ 3.88Å; W369-F433 HydrophobicContact CZ3-CZ 3.88Å
370	N	98.3	Very high	98.6	Very high	46 Å²	46	9.4 Å²	9.4	25%	0.246	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-63.6	-24	171.5	66.8	-95.8	0	0	0	113.3	W368 S420 T421	W368-N370 WeakPolarHBondContact CB-OD1 3.42Å; W368-N370 VanDerWaalsContact CD1-OD1 3.27Å; W368-N370 PolarHBondContact O-N 2.85Å; N370-S420 VanDerWaalsContact O-CA 3.27Å; N370-S420 WeakPolarHBondContact O-CA 3.42Å; N370-T421 VanDerWaalsContact CA-O 3.3Å; N370-T421 WeakPolarHBondContact CA-O 3.18Å; N370-T421 WeakPolarHBondContact CB-O 3.36Å; N370-T421 PolarHBondContact O-N 2.85Å
371	D	98.5	Very high	98.6	Very high	11 Å²	11	9.5 Å²	9.5	6%	0.059	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-113.5	30.4	178.2	-69.1	-12.7	0	0	0	110.9	M366 W368 W369 W373 L374 S420 K474 N475	M366-D371 HydrophobicContact CB-CB 4.22Å; M366-D371 WeakPolarHBondContact CB-O 3.34Å; W368-D371 PolarHBondContact O-N 2.86Å; W368-D371 VanDerWaalsContact O-N 3.08Å; W369-D371 PolarHBondContact O-N 3.03Å; D371-W373 PolarHBondContact O-N 2.66Å; D371-W373 VanDerWaalsContact O-N 3.13Å; D371-L374 HydrophobicContact CB-CD1 3.75Å; D371-L374 HydrophobicContact CB-CG 4.12Å; D371-L374 VanDerWaalsContact O-CB 3.31Å; D371-L374 WeakPolarHBondContact O-CB 3.42Å; D371-L374 WeakPolarHBondContact O-CG 3.47Å; D371-L374 PolarHBondContact O-N 3.17Å; D371-S420 WeakPolarHBondContact OD1-CB 3.13Å; D371-S420 PolarHBondContact OD1-OG 3.09Å; D371-K474 WeakPolarHBondContact OD2-CA 3.4Å; D371-N475 VanDerWaalsContact CG-OD1 3.23Å; D371-N475 PolarHBondContact OD1-OD1 3.12Å; D371-N475 PolarHBondContact OD2-N 3.36Å; D371-N475 PolarHBondContact OD2-OD1 3.25Å
372	L	98.4	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-34.5	178.8	172.2	62.8	0	0	0	113.1	M366 W369 L374 N375 E376 M432 F433	M366-L372 HydrophobicContact CE-CD1 3.78Å; W369-L372 HydrophobicContact CE3-CD1 4.08Å; W369-L372 HydrophobicContact CZ3-CD1 4.12Å; W369-L372 WeakPolarHBondContact O-CB 3.42Å; W369-L372 PolarHBondContact O-N 2.69Å; L372-L374 PolarHBondContact O-N 3.24Å; L372-N375 WeakPolarHBondContact O-CB 3.42Å; L372-N375 PolarHBondContact O-N 3.24Å; L372-E376 HydrophobicContact CD1-CG 3.75Å; L372-E376 HydrophobicContact CD2-CG 4.28Å; L372-E376 HydrophobicContact CG-CG 3.73Å; L372-E376 PolarHBondContact O-N 2.92Å; L372-M432 HydrophobicContact CB-CB 4.47Å; L372-M432 HydrophobicContact CD2-CB 3.65Å; L372-F433 HydrophobicContact CD1-CE1 4.02Å; L372-F433 HydrophobicContact CD1-CZ 3.87Å; L372-F433 HydrophobicContact CD2-CD1 3.9Å; L372-F433 HydrophobicContact CD2-CD2 3.58Å; L372-F433 HydrophobicContact CD2-CE1 3.81Å; L372-F433 HydrophobicContact CD2-CE2 3.5Å; L372-F433 VanDerWaalsContact CD2-CE2 3.5Å; L372-F433 HydrophobicContact CD2-CG 3.79Å; L372-F433 HydrophobicContact CD2-CZ 3.62Å; L372-F433 HydrophobicContact CG-CZ 4.43Å
373	W	98.8	Very high	98.7	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-57.1	-18.8	176.4	80.8	-82.9	0	0	0	114.4	D371 N375 G377 F378 V419 S420 L445 N475 L478 W479 T525	D371-W373 PolarHBondContact O-N 2.66Å; D371-W373 VanDerWaalsContact O-N 3.13Å; W373-N375 PolarHBondContact O-N 3.23Å; W373-G377 WeakPolarHBondContact O-CA 3.25Å; W373-G377 PolarHBondContact O-N 3.06Å; W373-F378 HydrophobicContact CZ3-CE2 4.27Å; W373-V419 HydrophobicContact CB-CG1 3.61Å; W373-V419 HydrophobicContact CD2-CG1 3.72Å; W373-V419 HydrophobicContact CE3-CG1 4.27Å; W373-V419 HydrophobicContact CG-CG1 3.37Å; W373-S420 PolarHBondContact NE1-OG 3.21Å; W373-L445 HydrophobicContact CZ3-CD1 4.31Å; W373-L445 HydrophobicContact CZ3-CD2 4.15Å; W373-L445 HydrophobicContact CZ3-CG 4.19Å; W373-N475 VanDerWaalsContact CE2-OD1 3.32Å; W373-N475 WeakPolarHBondContact CZ2-OD1 3.39Å; W373-N475 PolarHBondContact NE1-OD1 2.93Å; W373-L478 HydrophobicContact CH2-CD2 3.63Å; W373-L478 HydrophobicContact CZ2-CD2 4.28Å; W373-L478 HydrophobicContact CZ3-CD2 4.44Å; W373-W479 AromaticContact CH2-CH2 3.5Å; W373-W479 HydrophobicContact CH2-CH2 3.5Å; W373-W479 VanDerWaalsContact CH2-CH2 3.5Å; W373-W479 AromaticContact CH2-CZ2 3.55Å; W373-W479 HydrophobicContact CH2-CZ2 3.55Å; W373-W479 HydrophobicContact CZ2-CH2 4.25Å; W373-W479 AromaticContact CZ2-CZ2 3.84Å; W373-W479 HydrophobicContact CZ2-CZ2 3.84Å; W373-W479 HydrophobicContact CZ3-CH2 4.39Å; W373-T525 HydrophobicContact CH2-CG2 4.19Å; W373-T525 HydrophobicContact CZ2-CG2 3.84Å
374	L	98.6	Very high	98.7	Very high	2 Å²	2	11 Å²	11	1%	0.01	5%	0.051	C	C	.	.	H	α-helix	trans	-65.8	-23.8	172	-66.6	177.3	0	0	0	112.8	M366 D371 L372 F378 L478	M366-L374 HydrophobicContact CB-CD1 4.44Å; D371-L374 HydrophobicContact CB-CD1 3.75Å; D371-L374 HydrophobicContact CB-CG 4.12Å; D371-L374 VanDerWaalsContact O-CB 3.31Å; D371-L374 WeakPolarHBondContact O-CB 3.42Å; D371-L374 WeakPolarHBondContact O-CG 3.47Å; D371-L374 PolarHBondContact O-N 3.17Å; L372-L374 PolarHBondContact O-N 3.24Å; L374-F378 HydrophobicContact CD2-CE2 4.45Å; L374-F378 WeakPolarHBondContact O-CD2 3.38Å; L374-L478 HydrophobicContact CD2-CB 4.32Å; L374-L478 HydrophobicContact CD2-CD2 3.8Å
375	N	98.6	Very high	98.7	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-87.5	-70.1	165	-65.4	16.4	0	0	0	108.7	Y245 G361 M366 L372 W373 G377 F378 A379	Y245-N375 PolarHBondContact OH-ND2 3.11Å; G361-N375 VanDerWaalsContact CA-CG 3.46Å; G361-N375 WeakPolarHBondContact CA-ND2 3.34Å; M366-N375 VanDerWaalsContact SD-CG 3.57Å; M366-N375 PolarHBondContact SD-ND2 2.82Å; M366-N375 VanDerWaalsContact SD-ND2 3.42Å; M366-N375 PolarHBondContact SD-OD1 3.37Å; L372-N375 WeakPolarHBondContact O-CB 3.42Å; L372-N375 PolarHBondContact O-N 3.24Å; W373-N375 PolarHBondContact O-N 3.23Å; N375-G377 PolarHBondContact O-N 2.83Å; N375-F378 PolarHBondContact O-N 3.02Å; N375-F378 VanDerWaalsContact O-N 3.13Å; N375-A379 PolarHBondContact O-N 2.84Å
376	E	98.6	Very high	98.7	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.009	6%	0.055	C	C	.	.	H	α-helix	trans	-64	-44.6	-164.1	-54.8	-40.8	112.5	0	0	114	H353 H357 L372 F378 A379 K380 Y438	H353-E376 IonicContact NE2-OE2 2.71Å; H357-E376 IonicContact CE1-OE1 3.88Å; H357-E376 PolarHBondContact CE1-OE1 3.42Å; H357-E376 VanDerWaalsContact CE1-OE1 3.3Å; H357-E376 IonicContact CE1-OE2 3.22Å; H357-E376 PolarHBondContact CE1-OE2 3.24Å; H357-E376 IonicContact NE2-OE2 3.33Å; L372-E376 HydrophobicContact CD1-CG 3.75Å; L372-E376 HydrophobicContact CD2-CG 4.28Å; L372-E376 HydrophobicContact CG-CG 3.73Å; L372-E376 PolarHBondContact O-N 2.92Å; E376-F378 VanDerWaalsContact C-N 3.3Å; E376-F378 PolarHBondContact O-N 3.29Å; E376-A379 PolarHBondContact O-N 2.78Å; E376-K380 WeakPolarHBondContact O-CB 3.46Å; E376-K380 PolarHBondContact O-N 3.45Å; E376-Y438 HydrophobicContact CB-CD1 3.74Å; E376-Y438 HydrophobicContact CB-CD2 4.26Å; E376-Y438 HydrophobicContact CB-CE1 3.67Å; E376-Y438 HydrophobicContact CB-CE2 4.21Å; E376-Y438 HydrophobicContact CB-CG 4.02Å; E376-Y438 HydrophobicContact CG-CD1 4.43Å; E376-Y438 HydrophobicContact CG-CE1 3.91Å; E376-Y438 HydrophobicContact CG-CE2 4.04Å; E376-Y438 WeakPolarHBondContact OE2-CE1 3.2Å; E376-Y438 PolarHBondContact OE2-OH 3.32Å
377	G	98.6	Very high	98.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.6	-33.6	178.4	0	0	0	0	0	111.9	W373 N375 F381 S437 A442	W373-G377 WeakPolarHBondContact O-CA 3.25Å; W373-G377 PolarHBondContact O-N 3.06Å; N375-G377 PolarHBondContact O-N 2.83Å; G377-F381 WeakPolarHBondContact O-CB 3.49Å; G377-F381 PolarHBondContact O-N 3.41Å; G377-S437 WeakPolarHBondContact CA-O 3.4Å; G377-S437 PolarHBondContact N-O 2.78Å; G377-A442 WeakPolarHBondContact O-CA 3.2Å
378	F	98.8	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-73.5	-46	173.7	-90.3	-82.8	0	0	0	112.6	F360 W373 L374 N375 E376 F381 M382 L445 I461 L478	F360-F378 HydrophobicContact CB-CB 3.86Å; F360-F378 HydrophobicContact CD1-CB 3.63Å; F360-F378 AromaticContact CD1-CD1 3.75Å; F360-F378 HydrophobicContact CD1-CD1 3.75Å; F360-F378 HydrophobicContact CD1-CD2 4.24Å; F360-F378 HydrophobicContact CD1-CE1 4.49Å; F360-F378 AromaticContact CD1-CG 3.59Å; F360-F378 HydrophobicContact CD1-CG 3.59Å; F360-F378 HydrophobicContact CD2-CB 4.07Å; F360-F378 HydrophobicContact CD2-CD1 4.4Å; F360-F378 HydrophobicContact CE1-CB 4.09Å; F360-F378 AromaticContact CE1-CD1 3.26Å; F360-F378 HydrophobicContact CE1-CD1 3.26Å; F360-F378 HydrophobicContact CE1-CD2 4.31Å; F360-F378 AromaticContact CE1-CE1 3.69Å; F360-F378 HydrophobicContact CE1-CE1 3.69Å; F360-F378 AromaticContact CE1-CG 3.61Å; F360-F378 HydrophobicContact CE1-CG 3.61Å; F360-F378 HydrophobicContact CE1-CZ 4.37Å; F360-F378 HydrophobicContact CE2-CB 4.47Å; F360-F378 AromaticContact CE2-CD1 3.98Å; F360-F378 HydrophobicContact CE2-CD1 3.98Å; F360-F378 HydrophobicContact CG-CB 3.61Å; F360-F378 HydrophobicContact CG-CD1 4.28Å; F360-F378 HydrophobicContact CG-CG 4.08Å; F360-F378 HydrophobicContact CZ-CB 4.46Å; F360-F378 AromaticContact CZ-CD1 3.37Å; F360-F378 HydrophobicContact CZ-CD1 3.37Å; F360-F378 AromaticContact CZ-CE1 3.86Å; F360-F378 HydrophobicContact CZ-CE1 3.86Å; F360-F378 HydrophobicContact CZ-CG 4.1Å; W373-F378 HydrophobicContact CZ3-CE2 4.27Å; L374-F378 HydrophobicContact CD2-CE2 4.45Å; L374-F378 WeakPolarHBondContact O-CD2 3.38Å; N375-F378 PolarHBondContact O-N 3.02Å; N375-F378 VanDerWaalsContact O-N 3.13Å; E376-F378 VanDerWaalsContact C-N 3.3Å; E376-F378 PolarHBondContact O-N 3.29Å; F378-F381 PolarHBondContact O-N 3.09Å; F378-M382 WeakPolarHBondContact O-CB 3.33Å; F378-M382 VanDerWaalsContact O-CG 3.27Å; F378-M382 WeakPolarHBondContact O-CG 3.32Å; F378-M382 PolarHBondContact O-N 2.76Å; F378-L445 HydrophobicContact CB-CD1 4.44Å; F378-L445 HydrophobicContact CD1-CD1 3.86Å; F378-L445 HydrophobicContact CD2-CD1 3.67Å; F378-L445 HydrophobicContact CE1-CD1 3.91Å; F378-L445 HydrophobicContact CE1-CD2 3.94Å; F378-L445 HydrophobicContact CE2-CD1 3.71Å; F378-L445 HydrophobicContact CE2-CD2 3.77Å; F378-L445 HydrophobicContact CE2-CG 4.38Å; F378-L445 HydrophobicContact CG-CD1 3.74Å; F378-L445 HydrophobicContact CZ-CD1 3.83Å; F378-L445 HydrophobicContact CZ-CD2 3.4Å; F378-L445 VanDerWaalsContact CZ-CD2 3.4Å; F378-L445 HydrophobicContact CZ-CG 4.28Å; F378-I461 HydrophobicContact CD1-CD1 4.48Å; F378-I461 HydrophobicContact CE1-CD1 3.93Å; F378-I461 HydrophobicContact CE1-CG1 4.05Å; F378-L478 HydrophobicContact CE2-CD1 4.15Å; F378-L478 HydrophobicContact CE2-CD2 3.58Å; F378-L478 HydrophobicContact CZ-CD1 3.68Å; F378-L478 HydrophobicContact CZ-CD2 3.74Å; F378-L478 HydrophobicContact CZ-CG 4.36Å
379	A	98.7	Very high	98.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.3	-46.5	176.9	0	0	0	0	0	110.8	A356 H357 N375 E376 F381 M382 E383	A356-A379 HydrophobicContact CB-CB 4.26Å; H357-A379 WeakPolarHBondContact CE1-CB 3.48Å; H357-A379 WeakPolarHBondContact NE2-CB 3.46Å; N375-A379 PolarHBondContact O-N 2.84Å; E376-A379 PolarHBondContact O-N 2.78Å; A379-F381 VanDerWaalsContact C-N 3.35Å; A379-F381 PolarHBondContact O-N 3.23Å; A379-M382 PolarHBondContact O-N 3.24Å; A379-M382 VanDerWaalsContact O-N 3.14Å; A379-E383 PolarHBondContact O-N 2.98Å
380	K	98.8	Very high	98.7	Very high	32 Å²	32	15.4 Å²	15.4	14%	0.139	9%	0.088	C	C	.	.	H	α-helix	trans	-56.2	-45.4	173.5	-178.3	60.5	63.9	-144.5	0	112.4	H353 E376 E383 F384 D439 A442	H353-K380 PolarHBondContact CE1-N 3.2Å; H353-K380 PolarHBondContact ND1-N 2.76Å; E376-K380 WeakPolarHBondContact O-CB 3.46Å; E376-K380 PolarHBondContact O-N 3.45Å; K380-E383 WeakPolarHBondContact CA-OE1 3.2Å; K380-E383 WeakPolarHBondContact CD-OE1 3.29Å; K380-E383 WeakPolarHBondContact CE-OE1 3.35Å; K380-E383 IonicContact NZ-OE1 3.62Å; K380-E383 PolarHBondContact NZ-OE1 3.34Å; K380-E383 IonicContact NZ-OE2 2.74Å; K380-E383 WeakPolarHBondContact O-CB 3.13Å; K380-F384 HydrophobicContact CD-CE2 4.42Å; K380-F384 WeakPolarHBondContact O-CD2 3.43Å; K380-D439 WeakPolarHBondContact CD-OD1 3.44Å; K380-D439 WeakPolarHBondContact CE-OD1 3.39Å; K380-A442 HydrophobicContact CB-CB 3.92Å; K380-A442 HydrophobicContact CG-CB 3.58Å
381	F	98.9	Very high	98.6	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.018	8%	0.081	C	C	.	.	H	α-helix	trans	-65.5	-41.3	176	173.8	-102.2	0	0	0	112.7	G377 F378 A379 E383 F384 V385 A442 L445 N446 F457	G377-F381 WeakPolarHBondContact O-CB 3.49Å; G377-F381 PolarHBondContact O-N 3.41Å; F378-F381 PolarHBondContact O-N 3.09Å; A379-F381 VanDerWaalsContact C-N 3.35Å; A379-F381 PolarHBondContact O-N 3.23Å; F381-E383 VanDerWaalsContact C-N 3.32Å; F381-E383 PolarHBondContact O-N 3.09Å; F381-F384 PolarHBondContact O-N 3.36Å; F381-V385 HydrophobicContact CD1-CG2 4.14Å; F381-V385 HydrophobicContact CE1-CG2 3.41Å; F381-V385 VanDerWaalsContact CE1-CG2 3.41Å; F381-V385 HydrophobicContact CE2-CG2 4.08Å; F381-V385 HydrophobicContact CZ-CG2 3.36Å; F381-V385 PolarHBondContact O-N 2.83Å; F381-A442 HydrophobicContact CB-CB 3.92Å; F381-L445 HydrophobicContact CB-CB 4.44Å; F381-L445 HydrophobicContact CB-CD1 4.23Å; F381-L445 HydrophobicContact CD2-CB 4.27Å; F381-L445 HydrophobicContact CG-CB 4.12Å; F381-N446 HydrophobicContact CD2-CB 4.12Å; F381-N446 HydrophobicContact CE2-CB 3.84Å; F381-F457 HydrophobicContact CD1-CE1 4.48Å; F381-F457 AromaticContact CE1-CE1 3.64Å; F381-F457 HydrophobicContact CE1-CE1 3.64Å; F381-F457 HydrophobicContact CE1-CZ 4.1Å; F381-F457 HydrophobicContact CZ-CE1 4.07Å; F381-F457 HydrophobicContact CZ-CZ 4.5Å
382	M	98.8	Very high	98.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.7	-22.1	-177.5	-74.6	-53.1	-51.8	0	0	113.7	F292 Y293 Y296 F297 A356 F360 F378 A379 F384 V385 S386	F292-M382 HydrophobicContact CE1-CE 4.33Å; Y293-M382 HydrophobicContact CD1-CE 4.13Å; Y293-M382 HydrophobicContact CE1-CB 4.15Å; Y293-M382 HydrophobicContact CE1-CE 3.67Å; Y293-M382 PolarHBondContact OH-O 3.03Å; Y296-M382 HydrophobicContact CD1-CE 4.1Å; Y296-M382 HydrophobicContact CE1-CE 4.04Å; F297-M382 HydrophobicContact CE1-CE 4.05Å; F297-M382 HydrophobicContact CE1-SD 4.28Å; F297-M382 HydrophobicContact CZ-CE 3.72Å; F297-M382 HydrophobicContact CZ-CG 4.3Å; F297-M382 HydrophobicContact CZ-SD 4.16Å; A356-M382 HydrophobicContact CB-CB 3.68Å; A356-M382 HydrophobicContact CB-CG 4.41Å; F360-M382 HydrophobicContact CD2-CG 4.22Å; F360-M382 HydrophobicContact CE2-CG 3.92Å; F360-M382 HydrophobicContact CE2-SD 4.48Å; F378-M382 WeakPolarHBondContact O-CB 3.33Å; F378-M382 VanDerWaalsContact O-CG 3.27Å; F378-M382 WeakPolarHBondContact O-CG 3.32Å; F378-M382 PolarHBondContact O-N 2.76Å; A379-M382 PolarHBondContact O-N 3.24Å; A379-M382 VanDerWaalsContact O-N 3.14Å; M382-F384 VanDerWaalsContact C-N 3.3Å; M382-F384 PolarHBondContact O-N 3.1Å; M382-V385 HydrophobicContact CE-CB 3.8Å; M382-V385 HydrophobicContact CE-CG1 3.69Å; M382-V385 PolarHBondContact O-N 3.42Å; M382-V385 HydrophobicContact SD-CB 4.14Å; M382-V385 HydrophobicContact SD-CG1 4.34Å; M382-V385 HydrophobicContact SD-CG2 4.3Å; M382-S386 WeakPolarHBondContact O-CB 3.24Å; M382-S386 PolarHBondContact O-N 2.73Å; M382-S386 PolarHBondContact O-OG 3.4Å
383	E	98.8	Very high	98.6	Very high	11 Å²	11	22.4 Å²	22.4	5%	0.051	13%	0.125	C	C	.	.	H	α-helix	trans	-50.3	-51.9	166.5	-67.6	170	-137.2	0	0	111	M349 A352 H353 A379 K380 F381 S386 V387	M349-E383 HydrophobicContact CE-CB 3.62Å; M349-E383 HydrophobicContact CE-CG 4.5Å; M349-E383 WeakPolarHBondContact CE-OE2 3.46Å; M349-E383 WeakPolarHBondContact O-CG 3.21Å; M349-E383 HydrophobicContact SD-CB 4.18Å; A352-E383 HydrophobicContact CB-CG 4.47Å; H353-E383 HydrophobicContact CB-CG 3.91Å; H353-E383 IonicContact CE1-OE1 2.72Å; H353-E383 IonicContact CG-OE1 2.7Å; H353-E383 IonicContact ND1-OE1 3.76Å; H353-E383 PolarHBondContact ND1-OE1 3.38Å; A379-E383 PolarHBondContact O-N 2.98Å; K380-E383 WeakPolarHBondContact CA-OE1 3.2Å; K380-E383 WeakPolarHBondContact CD-OE1 3.29Å; K380-E383 WeakPolarHBondContact CE-OE1 3.35Å; K380-E383 IonicContact NZ-OE1 3.62Å; K380-E383 PolarHBondContact NZ-OE1 3.34Å; K380-E383 IonicContact NZ-OE2 2.74Å; K380-E383 WeakPolarHBondContact O-CB 3.13Å; F381-E383 VanDerWaalsContact C-N 3.32Å; F381-E383 PolarHBondContact O-N 3.09Å; E383-S386 PolarHBondContact O-OG 2.9Å; E383-V387 VanDerWaalsContact O-CB 3.23Å; E383-V387 WeakPolarHBondContact O-CB 3.36Å; E383-V387 VanDerWaalsContact O-CG2 3.25Å; E383-V387 WeakPolarHBondContact O-CG2 3.11Å; E383-V387 PolarHBondContact O-N 2.69Å
384	F	98.8	Very high	98.5	Very high	23 Å²	23	23.8 Å²	23.8	10%	0.101	13%	0.132	C	C	.	.	H	α-helix	trans	-72.4	-35.3	-175.6	-66	-92.9	0	0	0	112	M349 K380 F381 M382 S388 V396 F400 K403	M349-F384 HydrophobicContact CE-CD1 3.9Å; M349-F384 HydrophobicContact CE-CD2 3.92Å; M349-F384 HydrophobicContact CE-CE1 3.63Å; M349-F384 HydrophobicContact CE-CE2 3.66Å; M349-F384 HydrophobicContact CE-CG 4.04Å; M349-F384 HydrophobicContact CE-CZ 3.51Å; K380-F384 HydrophobicContact CD-CE2 4.42Å; K380-F384 WeakPolarHBondContact O-CD2 3.43Å; F381-F384 PolarHBondContact O-N 3.36Å; M382-F384 VanDerWaalsContact C-N 3.3Å; M382-F384 PolarHBondContact O-N 3.1Å; F384-S388 WeakPolarHBondContact O-CB 3.49Å; F384-S388 PolarHBondContact O-N 2.05Å; F384-S388 PolarHBondContact O-OG 3.18Å; F384-V396 HydrophobicContact CD1-CB 4.14Å; F384-V396 HydrophobicContact CD1-CG2 4.27Å; F384-V396 VanDerWaalsContact CD1-O 3.27Å; F384-V396 WeakPolarHBondContact CD1-O 3.24Å; F384-V396 HydrophobicContact CE1-CB 4.49Å; F384-V396 WeakPolarHBondContact CE1-O 3.38Å; F384-F400 HydrophobicContact CB-CD2 4.19Å; F384-F400 HydrophobicContact CD1-CB 3.7Å; F384-F400 AromaticContact CD1-CD2 3.81Å; F384-F400 HydrophobicContact CD1-CD2 3.81Å; F384-F400 HydrophobicContact CD1-CG 4.24Å; F384-F400 AromaticContact CD2-CD2 3.5Å; F384-F400 HydrophobicContact CD2-CD2 3.5Å; F384-F400 HydrophobicContact CD2-CE2 4Å; F384-F400 VanDerWaalsContact CE1-CA 3.48Å; F384-F400 HydrophobicContact CE1-CB 3.81Å; F384-F400 HydrophobicContact CE1-CD2 4.01Å; F384-F400 HydrophobicContact CE1-CG 4.44Å; F384-F400 AromaticContact CE2-CD2 3.73Å; F384-F400 HydrophobicContact CE2-CD2 3.73Å; F384-F400 HydrophobicContact CE2-CE2 4.29Å; F384-F400 HydrophobicContact CG-CB 4.27Å; F384-F400 AromaticContact CG-CD2 3.54Å; F384-F400 HydrophobicContact CG-CD2 3.54Å; F384-F400 HydrophobicContact CG-CE2 4.36Å; F384-F400 HydrophobicContact CG-CG 4.33Å; F384-F400 HydrophobicContact CZ-CB 4.46Å; F384-F400 AromaticContact CZ-CD2 3.97Å; F384-F400 HydrophobicContact CZ-CD2 3.97Å; F384-K403 HydrophobicContact CZ-CG 4.31Å
385	V	98.8	Very high	98.5	Very high	15 Å²	15	29.6 Å²	29.6	9%	0.091	16%	0.157	C	C	.	.	H	α-helix	trans	-67.2	-42.5	176	177.1	0	0	0	0	111.9	F292 Y296 F381 M382 S388	F292-V385 HydrophobicContact CZ-CG1 4.21Å; Y296-V385 HydrophobicContact CE1-CG1 4.43Å; Y296-V385 HydrophobicContact CE2-CG1 4.11Å; F381-V385 HydrophobicContact CD1-CG2 4.14Å; F381-V385 HydrophobicContact CE1-CG2 3.41Å; F381-V385 VanDerWaalsContact CE1-CG2 3.41Å; F381-V385 HydrophobicContact CE2-CG2 4.08Å; F381-V385 HydrophobicContact CZ-CG2 3.36Å; F381-V385 PolarHBondContact O-N 2.83Å; M382-V385 HydrophobicContact CE-CB 3.8Å; M382-V385 HydrophobicContact CE-CG1 3.69Å; M382-V385 PolarHBondContact O-N 3.42Å; M382-V385 HydrophobicContact SD-CB 4.14Å; M382-V385 HydrophobicContact SD-CG1 4.34Å; M382-V385 HydrophobicContact SD-CG2 4.3Å; V385-S388 PolarHBondContact O-OG 3.38Å
386	S	98.8	Very high	98.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-81.1	-43.7	-177.1	63.6	0	0	0	0	113	F292 Y293 M382 E383 S388 V389 T390	F292-S386 VanDerWaalsContact CD1-CB 3.46Å; F292-S386 VanDerWaalsContact CE1-CA 3.44Å; F292-S386 VanDerWaalsContact CE1-CB 3.42Å; Y293-S386 WeakPolarHBondContact OH-CB 3.4Å; Y293-S386 PolarHBondContact OH-OG 2.85Å; M382-S386 WeakPolarHBondContact O-CB 3.24Å; M382-S386 PolarHBondContact O-N 2.73Å; M382-S386 PolarHBondContact O-OG 3.4Å; E383-S386 PolarHBondContact O-OG 2.9Å; S386-S388 PolarHBondContact O-N 3.37Å; S386-V389 PolarHBondContact O-N 3.14Å; S386-T390 WeakPolarHBondContact O-CB 3.1Å; S386-T390 WeakPolarHBondContact O-CG2 3.43Å; S386-T390 PolarHBondContact O-N 3.32Å; S386-T390 PolarHBondContact O-OG1 3.19Å
387	V	98.8	Very high	98.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-73.2	-29.4	-177	-178	0	0	0	0	111.2	L289 T348 M349 A352 E383 V389 T390 H391 L394 V396	L289-V387 HydrophobicContact CD2-CG2 4.16Å; T348-V387 HydrophobicContact CG2-CG1 3.82Å; T348-V387 HydrophobicContact CG2-CG2 4Å; M349-V387 HydrophobicContact SD-CB 3.97Å; M349-V387 HydrophobicContact SD-CG1 4.05Å; M349-V387 HydrophobicContact SD-CG2 3.88Å; A352-V387 HydrophobicContact CB-CG2 3.53Å; E383-V387 VanDerWaalsContact O-CB 3.23Å; E383-V387 WeakPolarHBondContact O-CB 3.36Å; E383-V387 VanDerWaalsContact O-CG2 3.25Å; E383-V387 WeakPolarHBondContact O-CG2 3.11Å; E383-V387 PolarHBondContact O-N 2.69Å; V387-V389 PolarHBondContact O-N 3.47Å; V387-T390 WeakPolarHBondContact CA-OG1 3.37Å; V387-H391 HydrophobicContact CG1-CB 4.02Å; V387-H391 CarbonylContact O-C 3.22Å; V387-H391 VanDerWaalsContact O-C 3.23Å; V387-H391 WeakPolarHBondContact O-CA 3.39Å; V387-H391 PolarHBondContact O-N 3.48Å; V387-L394 HydrophobicContact CG1-CD1 4.06Å; V387-V396 HydrophobicContact CB-CG1 4.3Å; V387-V396 HydrophobicContact CB-CG2 3.99Å; V387-V396 HydrophobicContact CG1-CB 4.47Å; V387-V396 HydrophobicContact CG1-CG1 3.6Å; V387-V396 HydrophobicContact CG1-CG2 4.09Å
388	S	98.4	Very high	98.3	Very high	54 Å²	54	35.5 Å²	35.5	38%	0.378	20%	0.198	S	C	.	.	H	α-helix	trans	-66.3	-22.5	172.2	63	0	0	0	0	114.3	F384 V385 S386	F384-S388 WeakPolarHBondContact O-CB 3.49Å; F384-S388 PolarHBondContact O-N 2.05Å; F384-S388 PolarHBondContact O-OG 3.18Å; V385-S388 PolarHBondContact O-OG 3.38Å; S386-S388 PolarHBondContact O-N 3.37Å
389	V	98.6	Very high	98.1	Very high	93 Å²	93	41.8 Å²	41.8	56%	0.564	22%	0.223	S	C	*	.	H	α-helix	trans	-95	-44.7	176.4	177.4	0	0	0	0	111.8	F292 S386 V387	F292-V389 HydrophobicContact CD2-CB 4.16Å; F292-V389 HydrophobicContact CD2-CG1 3.93Å; F292-V389 HydrophobicContact CE2-CB 3.74Å; F292-V389 HydrophobicContact CE2-CG1 3.77Å; F292-V389 HydrophobicContact CE2-CG2 3.95Å; F292-V389 HydrophobicContact CZ-CG2 4.47Å; S386-V389 PolarHBondContact O-N 3.14Å; V387-V389 PolarHBondContact O-N 3.47Å
390	T	98.6	Very high	98.1	Very high	29 Å²	29	42.4 Å²	42.4	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-79.1	-32.3	-175.7	56.2	0	0	0	0	113.4	T288 L289 F292 S386 V387	T288-T390 HydrophobicContact CG2-CG2 3.94Å; L289-T390 HydrophobicContact CD2-CG2 4.11Å; L289-T390 WeakPolarHBondContact CD2-OG1 3.37Å; F292-T390 HydrophobicContact CB-CG2 3.72Å; F292-T390 HydrophobicContact CD2-CG2 4.26Å; F292-T390 HydrophobicContact CG-CG2 4.02Å; S386-T390 WeakPolarHBondContact O-CB 3.1Å; S386-T390 WeakPolarHBondContact O-CG2 3.43Å; S386-T390 PolarHBondContact O-N 3.32Å; S386-T390 PolarHBondContact O-OG1 3.19Å; V387-T390 WeakPolarHBondContact CA-OG1 3.37Å
391	H	98.3	Very high	97.9	Very high	21 Å²	21	42.4 Å²	42.4	10%	0.097	23%	0.225	C	C	.	.			trans	-134.1	61.3	-178	-61.6	83.8	0	0	0	110.9	V387 E393 L394	V387-H391 HydrophobicContact CG1-CB 4.02Å; V387-H391 CarbonylContact O-C 3.22Å; V387-H391 VanDerWaalsContact O-C 3.23Å; V387-H391 WeakPolarHBondContact O-CA 3.39Å; V387-H391 PolarHBondContact O-N 3.48Å; H391-E393 VanDerWaalsContact CA-OE2 3.22Å; H391-E393 WeakPolarHBondContact CA-OE2 3.5Å; H391-E393 IonicContact CD2-OE1 3.68Å; H391-E393 PolarHBondContact O-N 3.37Å; H391-L394 HydrophobicContact CB-CB 4.47Å; H391-L394 HydrophobicContact CB-CD1 3.7Å; H391-L394 HydrophobicContact CB-CG 3.96Å; H391-L394 WeakPolarHBondContact O-CB 3.49Å; H391-L394 PolarHBondContact O-N 3.35Å
392	P	98.2	Very high	97.8	Very high	67 Å²	67	43.2 Å²	43.2	44%	0.435	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-63.6	-14.9	-174.2	28.6	-36.8	0	0	0	114	L394 K395	P392-L394 VanDerWaalsContact C-N 3.31Å; P392-K395 WeakPolarHBondContact O-CD 3.38Å; P392-K395 WeakPolarHBondContact O-CE 3.44Å
393	E	97.8	Very high	97.8	Very high	116 Å²	116	46.1 Å²	46.1	54%	0.542	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-70.6	-23.8	171.7	78.9	-72.1	177.5	0	0	113.3	H391 K395	H391-E393 VanDerWaalsContact CA-OE2 3.22Å; H391-E393 WeakPolarHBondContact CA-OE2 3.5Å; H391-E393 IonicContact CD2-OE1 3.68Å; H391-E393 PolarHBondContact O-N 3.37Å; E393-K395 VanDerWaalsContact C-N 3.3Å
394	L	97.4	Very high	97.8	Very high	30 Å²	30	45.7 Å²	45.7	16%	0.157	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-79.3	-11.1	177.4	-62.8	-178.3	0	0	0	113.5	L345 T348 V387 H391 P392 V396 Y399	L345-L394 HydrophobicContact CD1-CB 4.37Å; L345-L394 HydrophobicContact CD1-CD1 4.22Å; T348-L394 HydrophobicContact CG2-CD1 3.96Å; V387-L394 HydrophobicContact CG1-CD1 4.06Å; H391-L394 HydrophobicContact CB-CB 4.47Å; H391-L394 HydrophobicContact CB-CD1 3.7Å; H391-L394 HydrophobicContact CB-CG 3.96Å; H391-L394 WeakPolarHBondContact O-CB 3.49Å; H391-L394 PolarHBondContact O-N 3.35Å; P392-L394 VanDerWaalsContact C-N 3.31Å; L394-V396 HydrophobicContact CB-CG1 3.91Å; L394-V396 PolarHBondContact O-N 2.88Å; L394-Y399 WeakPolarHBondContact O-CE2 3.46Å
395	K	97.4	Very high	97.8	Very high	123 Å²	123	46 Å²	46	54%	0.535	25%	0.247	S	C	.	.			trans	50.9	32.6	173.7	-64.1	-65.9	177.9	-169.3	0	115.6	P392 E393 G397 D398	P392-K395 WeakPolarHBondContact O-CD 3.38Å; P392-K395 WeakPolarHBondContact O-CE 3.44Å; E393-K395 VanDerWaalsContact C-N 3.3Å; K395-G397 PolarHBondContact O-N 3.47Å; K395-D398 WeakPolarHBondContact O-CB 3.32Å; K395-D398 PolarHBondContact O-N 3.08Å
396	V	98.1	Very high	97.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-57.2	-28.8	-170.7	-56.9	0	0	0	0	115.4	L345 M349 F384 V387 L394 D398 Y399 F400	L345-V396 HydrophobicContact CD1-CG1 3.54Å; M349-V396 HydrophobicContact CE-CB 4.37Å; M349-V396 HydrophobicContact SD-CB 4.24Å; M349-V396 HydrophobicContact SD-CG1 3.86Å; F384-V396 HydrophobicContact CD1-CB 4.14Å; F384-V396 HydrophobicContact CD1-CG2 4.27Å; F384-V396 VanDerWaalsContact CD1-O 3.27Å; F384-V396 WeakPolarHBondContact CD1-O 3.24Å; F384-V396 HydrophobicContact CE1-CB 4.49Å; F384-V396 WeakPolarHBondContact CE1-O 3.38Å; V387-V396 HydrophobicContact CB-CG1 4.3Å; V387-V396 HydrophobicContact CB-CG2 3.99Å; V387-V396 HydrophobicContact CG1-CB 4.47Å; V387-V396 HydrophobicContact CG1-CG1 3.6Å; V387-V396 HydrophobicContact CG1-CG2 4.09Å; L394-V396 HydrophobicContact CB-CG1 3.91Å; L394-V396 PolarHBondContact O-N 2.88Å; V396-D398 PolarHBondContact O-N 2.92Å; V396-Y399 PolarHBondContact O-N 3.06Å; V396-F400 PolarHBondContact O-N 3.41Å
397	G	96.4	Very high	97.7	Very high	39 Å²	39	48.9 Å²	48.9	40%	0.402	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-59.5	-28.5	174.5	0	0	0	0	0	113.6	K395 Y399	K395-G397 PolarHBondContact O-N 3.47Å; G397-Y399 PolarHBondContact O-N 3.13Å
398	D	96.6	Very high	97.6	Very high	87 Å²	87	48.9 Å²	48.9	47%	0.465	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-75.3	-9.4	175.7	-62.3	-23	0	0	0	112.5	K395 V396 F401	K395-D398 WeakPolarHBondContact O-CB 3.32Å; K395-D398 PolarHBondContact O-N 3.08Å; V396-D398 PolarHBondContact O-N 2.92Å; D398-F401 WeakPolarHBondContact O-CE1 3.49Å
399	Y	96.5	Very high	97.5	Very high	132 Å²	132	51.9 Å²	51.9	52%	0.518	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-15.1	177	-52.8	-41.7	0	0	0	113.4	L345 L394 V396 G397 F401 G402	L345-Y399 HydrophobicContact CD2-CD2 4.06Å; L345-Y399 HydrophobicContact CD2-CE2 4.01Å; L394-Y399 WeakPolarHBondContact O-CE2 3.46Å; V396-Y399 PolarHBondContact O-N 3.06Å; G397-Y399 PolarHBondContact O-N 3.13Å; Y399-F401 PolarHBondContact O-N 3.45Å; Y399-G402 PolarHBondContact O-N 3.47Å; Y399-G402 VanDerWaalsContact O-N 3.1Å
400	F	97.9	Very high	97.3	Very high	13 Å²	13	49.6 Å²	49.6	6%	0.057	26%	0.256	C	S	.	.	H	α-helix	trans	-54.6	-45.4	-173.3	179.6	-104.7	0	0	0	113.8	F384 V396 G402 K403 A442 N446	F384-F400 HydrophobicContact CB-CD2 4.19Å; F384-F400 HydrophobicContact CD1-CB 3.7Å; F384-F400 AromaticContact CD1-CD2 3.81Å; F384-F400 HydrophobicContact CD1-CD2 3.81Å; F384-F400 HydrophobicContact CD1-CG 4.24Å; F384-F400 AromaticContact CD2-CD2 3.5Å; F384-F400 HydrophobicContact CD2-CD2 3.5Å; F384-F400 HydrophobicContact CD2-CE2 4Å; F384-F400 VanDerWaalsContact CE1-CA 3.48Å; F384-F400 HydrophobicContact CE1-CB 3.81Å; F384-F400 HydrophobicContact CE1-CD2 4.01Å; F384-F400 HydrophobicContact CE1-CG 4.44Å; F384-F400 AromaticContact CE2-CD2 3.73Å; F384-F400 HydrophobicContact CE2-CD2 3.73Å; F384-F400 HydrophobicContact CE2-CE2 4.29Å; F384-F400 HydrophobicContact CG-CB 4.27Å; F384-F400 AromaticContact CG-CD2 3.54Å; F384-F400 HydrophobicContact CG-CD2 3.54Å; F384-F400 HydrophobicContact CG-CE2 4.36Å; F384-F400 HydrophobicContact CG-CG 4.33Å; F384-F400 HydrophobicContact CZ-CB 4.46Å; F384-F400 AromaticContact CZ-CD2 3.97Å; F384-F400 HydrophobicContact CZ-CD2 3.97Å; V396-F400 PolarHBondContact O-N 3.41Å; F400-G402 PolarHBondContact O-N 2.79Å; F400-K403 WeakPolarHBondContact O-CB 2.84Å; F400-K403 PolarHBondContact O-N 2.82Å; F400-A442 HydrophobicContact CE2-CB 4.21Å; F400-A442 HydrophobicContact CZ-CB 4.4Å; F400-N446 HydrophobicContact CD1-CB 4.46Å; F400-N446 HydrophobicContact CE1-CB 3.42Å; F400-N446 VanDerWaalsContact CE1-CB 3.42Å; F400-N446 HydrophobicContact CZ-CB 3.54Å
401	F	95.1	Very high	97.1	Very high	32 Å²	32	48.2 Å²	48.2	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-62.2	-20.7	-176.5	71.5	-97.5	0	0	0	113.6	D398 Y399 K403 C404 F405 M604 N634 A637	D398-F401 WeakPolarHBondContact O-CE1 3.49Å; Y399-F401 PolarHBondContact O-N 3.45Å; F401-K403 PolarHBondContact O-N 2.89Å; F401-C404 PolarHBondContact O-N 2.97Å; F401-C404 VanDerWaalsContact O-N 3.16Å; F401-F405 AromaticContact CD2-CD2 3.94Å; F401-F405 HydrophobicContact CD2-CD2 3.94Å; F401-F405 AromaticContact CD2-CE2 3.39Å; F401-F405 HydrophobicContact CD2-CE2 3.39Å; F401-F405 AromaticContact CD2-CZ 3.88Å; F401-F405 HydrophobicContact CD2-CZ 3.88Å; F401-F405 HydrophobicContact CE2-CD2 4.21Å; F401-F405 AromaticContact CE2-CE2 3.59Å; F401-F405 HydrophobicContact CE2-CE2 3.59Å; F401-F405 HydrophobicContact CE2-CZ 4.36Å; F401-F405 PolarHBondContact O-N 3.4Å; F401-M604 HydrophobicContact CB-CB 3.79Å; F401-M604 HydrophobicContact CB-CG 3.91Å; F401-M604 HydrophobicContact CG-CB 4.35Å; F401-N634 HydrophobicContact CD1-CB 3.88Å; F401-N634 WeakPolarHBondContact CD1-ND2 3.22Å; F401-N634 HydrophobicContact CE1-CB 3.86Å; F401-N634 WeakPolarHBondContact CE1-OD1 3.36Å; F401-A637 HydrophobicContact CD2-CB 4.48Å; F401-A637 HydrophobicContact CE2-CB 3.54Å; F401-A637 HydrophobicContact CZ-CB 3.6Å
402	G	97.1	Very high	96.9	Very high	22 Å²	22	47.3 Å²	47.3	23%	0.227	24%	0.244	C	C	.	.	H	α-helix	trans	-57.9	-38.2	172.6	0	0	0	0	0	111.4	Y399 F400 C404 F405 D406	Y399-G402 PolarHBondContact O-N 3.47Å; Y399-G402 VanDerWaalsContact O-N 3.1Å; F400-G402 PolarHBondContact O-N 2.79Å; G402-C404 VanDerWaalsContact C-N 3.31Å; G402-C404 PolarHBondContact O-N 3.42Å; G402-F405 WeakPolarHBondContact O-CA 3Å; G402-F405 WeakPolarHBondContact O-CB 3.45Å; G402-F405 PolarHBondContact O-N 2.85Å; G402-D406 PolarHBondContact O-N 2.98Å
403	K	98	Very high	96.5	Very high	61 Å²	61	47.4 Å²	47.4	27%	0.265	24%	0.241	S	C	.	.	H	α-helix	trans	-64.9	-34.7	176.4	-65.3	-40.7	-145.2	151.5	0	113.9	F384 F400 F401 F405 D406 A407 D439	F384-K403 HydrophobicContact CZ-CG 4.31Å; F400-K403 WeakPolarHBondContact O-CB 2.84Å; F400-K403 PolarHBondContact O-N 2.82Å; F401-K403 PolarHBondContact O-N 2.89Å; K403-F405 VanDerWaalsContact C-N 3.28Å; K403-F405 PolarHBondContact O-N 3.02Å; K403-D406 VanDerWaalsContact CD-OD2 3.27Å; K403-D406 WeakPolarHBondContact CD-OD2 3.48Å; K403-D406 IonicContact NZ-OD2 3.87Å; K403-D406 PolarHBondContact NZ-OD2 3.03Å; K403-D406 PolarHBondContact O-N 3.13Å; K403-A407 WeakPolarHBondContact O-CB 3.34Å; K403-A407 PolarHBondContact O-N 3.08Å; K403-D439 HydrophobicContact CB-CB 4.03Å; K403-D439 VanDerWaalsContact CD-OD2 3.31Å; K403-D439 WeakPolarHBondContact CD-OD2 3.49Å; K403-D439 WeakPolarHBondContact CE-OD2 3.36Å; K403-D439 IonicContact NZ-OD1 2.8Å; K403-D439 IonicContact NZ-OD2 3.5Å; K403-D439 PolarHBondContact NZ-OD2 2.88Å
404	C	98.4	Very high	96.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-67.6	-31.7	173.3	-48.4	0	0	0	0	111.7	F401 G402 M408 C443 Y607	F401-C404 PolarHBondContact O-N 2.97Å; F401-C404 VanDerWaalsContact O-N 3.16Å; G402-C404 VanDerWaalsContact C-N 3.31Å; G402-C404 PolarHBondContact O-N 3.42Å; C404-M408 VanDerWaalsContact O-CB 3.31Å; C404-M408 WeakPolarHBondContact O-CB 3.4Å; C404-M408 WeakPolarHBondContact O-CG 3.31Å; C404-M408 PolarHBondContact O-N 2.71Å; C404-C443 WeakPolarHBondContact CA-SG 3.48Å; C404-C443 HydrophobicContact CB-CB 4.01Å; C404-C443 WeakPolarHBondContact CB-SG 3.19Å; C404-C443 PolarHBondContact N-SG 3.28Å; C404-C443 WeakPolarHBondContact SG-CB 3.47Å; C404-C443 CovalentContact SG-SG 2.04Å; C404-C443 PolarHBondContact SG-SG 3.21Å; C404-Y607 HydrophobicContact CB-CD2 4.19Å; C404-Y607 HydrophobicContact CB-CE2 4.37Å
405	F	98.1	Very high	95.8	Very high	29 Å²	29	50.6 Å²	50.6	13%	0.127	27%	0.269	C	S	.	.	H	α-helix	trans	-73.8	-41.1	173.5	-62.4	-28	0	0	0	113.1	F401 G402 K403 M408 E409 M604 N641	F401-F405 AromaticContact CD2-CD2 3.94Å; F401-F405 HydrophobicContact CD2-CD2 3.94Å; F401-F405 AromaticContact CD2-CE2 3.39Å; F401-F405 HydrophobicContact CD2-CE2 3.39Å; F401-F405 AromaticContact CD2-CZ 3.88Å; F401-F405 HydrophobicContact CD2-CZ 3.88Å; F401-F405 HydrophobicContact CE2-CD2 4.21Å; F401-F405 AromaticContact CE2-CE2 3.59Å; F401-F405 HydrophobicContact CE2-CE2 3.59Å; F401-F405 HydrophobicContact CE2-CZ 4.36Å; F401-F405 PolarHBondContact O-N 3.4Å; G402-F405 WeakPolarHBondContact O-CA 3Å; G402-F405 WeakPolarHBondContact O-CB 3.45Å; G402-F405 PolarHBondContact O-N 2.85Å; K403-F405 VanDerWaalsContact C-N 3.28Å; K403-F405 PolarHBondContact O-N 3.02Å; F405-M408 HydrophobicContact CD1-SD 4.4Å; F405-M408 PolarHBondContact O-N 3.18Å; F405-E409 PolarHBondContact O-N 3.26Å; F405-E409 VanDerWaalsContact O-N 3.16Å; F405-M604 HydrophobicContact CD1-CE 4.32Å; F405-M604 HydrophobicContact CE1-CE 3.76Å; F405-M604 HydrophobicContact CE1-CG 3.77Å; F405-M604 HydrophobicContact CE1-SD 3.79Å; F405-M604 HydrophobicContact CZ-CG 3.91Å; F405-M604 HydrophobicContact CZ-SD 4.27Å; F405-N641 HydrophobicContact CD1-CB 4.12Å; F405-N641 VanDerWaalsContact CD1-CG 3.45Å; F405-N641 WeakPolarHBondContact CD1-ND2 3.34Å; F405-N641 HydrophobicContact CD2-CB 4.24Å; F405-N641 HydrophobicContact CE1-CB 3.62Å; F405-N641 VanDerWaalsContact CE1-CG 3.44Å; F405-N641 HydrophobicContact CE2-CB 3.75Å; F405-N641 HydrophobicContact CG-CB 4.42Å; F405-N641 VanDerWaalsContact CG-ND2 3.29Å; F405-N641 WeakPolarHBondContact CG-ND2 3.4Å; F405-N641 HydrophobicContact CZ-CB 3.44Å; F405-N641 VanDerWaalsContact CZ-CB 3.44Å
406	D	97.6	Very high	95.6	Very high	75 Å²	75	45.1 Å²	45.1	40%	0.401	25%	0.246	S	C	.	.	H	α-helix	trans	-54.5	-54.3	173.8	-63.7	-15.2	0	0	0	109.3	G402 K403 M408 E409	G402-D406 PolarHBondContact O-N 2.98Å; K403-D406 VanDerWaalsContact CD-OD2 3.27Å; K403-D406 WeakPolarHBondContact CD-OD2 3.48Å; K403-D406 IonicContact NZ-OD2 3.87Å; K403-D406 PolarHBondContact NZ-OD2 3.03Å; K403-D406 PolarHBondContact O-N 3.13Å; D406-M408 PolarHBondContact O-N 3.29Å; D406-E409 WeakPolarHBondContact O-CB 3.31Å; D406-E409 PolarHBondContact O-N 2.81Å; D406-E409 VanDerWaalsContact O-N 3.09Å
407	A	97.9	Very high	95.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-37.3	177.3	0	0	0	0	0	113.5	K403 E409 V410 D411 D439 K440 Y607	K403-A407 WeakPolarHBondContact O-CB 3.34Å; K403-A407 PolarHBondContact O-N 3.08Å; A407-E409 PolarHBondContact O-N 3.44Å; A407-V410 WeakPolarHBondContact O-CG1 3.42Å; A407-V410 PolarHBondContact O-N 2.91Å; A407-D411 WeakPolarHBondContact O-CB 3.17Å; A407-D411 PolarHBondContact O-N 3.35Å; A407-D439 HydrophobicContact CB-CB 3.98Å; A407-K440 HydrophobicContact CB-CB 3.98Å; A407-Y607 HydrophobicContact CB-CE2 4.19Å; A407-Y607 PolarHBondContact O-OH 2.89Å
408	M	97.6	Very high	95.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-21.3	176.6	-80.4	175.2	175.2	0	0	113.3	C404 F405 D406 A412 F530 M604 Y607 I609	C404-M408 VanDerWaalsContact O-CB 3.31Å; C404-M408 WeakPolarHBondContact O-CB 3.4Å; C404-M408 WeakPolarHBondContact O-CG 3.31Å; C404-M408 PolarHBondContact O-N 2.71Å; F405-M408 HydrophobicContact CD1-SD 4.4Å; F405-M408 PolarHBondContact O-N 3.18Å; D406-M408 PolarHBondContact O-N 3.29Å; M408-A412 WeakPolarHBondContact O-CB 3.43Å; M408-A412 PolarHBondContact O-N 3.24Å; M408-F530 HydrophobicContact CB-CE1 3.74Å; M408-F530 HydrophobicContact CB-CZ 3.77Å; M408-F530 HydrophobicContact CE-CD2 4.11Å; M408-F530 HydrophobicContact CE-CE2 4.3Å; M408-F530 HydrophobicContact CE-CG 4.33Å; M408-F530 HydrophobicContact CG-CD1 3.94Å; M408-F530 HydrophobicContact CG-CD2 4.48Å; M408-F530 HydrophobicContact CG-CE1 3.55Å; M408-F530 HydrophobicContact CG-CE2 4.12Å; M408-F530 HydrophobicContact CG-CG 4.39Å; M408-F530 HydrophobicContact CG-CZ 3.63Å; M408-F530 HydrophobicContact SD-CE2 4.21Å; M408-F530 HydrophobicContact SD-CZ 4.22Å; M408-M604 HydrophobicContact CE-CE 3.73Å; M408-M604 HydrophobicContact SD-CE 3.99Å; M408-Y607 HydrophobicContact CE-CD1 4.49Å; M408-Y607 HydrophobicContact CE-CD2 3.9Å; M408-Y607 HydrophobicContact CE-CE2 4.08Å; M408-Y607 HydrophobicContact CE-CG 4.12Å; M408-Y607 HydrophobicContact CG-CE2 3.89Å; M408-I609 HydrophobicContact CE-CG2 4.32Å; M408-I609 HydrophobicContact SD-CG2 3.93Å
409	E	95.1	Very high	95.7	Very high	117 Å²	117	42.4 Å²	42.4	55%	0.547	22%	0.222	S	C	.	.	H	α-helix	trans	-69.8	-45.1	175.9	177.1	142.7	-125.4	0	0	112.1	F405 D406 A407 K551	F405-E409 PolarHBondContact O-N 3.26Å; F405-E409 VanDerWaalsContact O-N 3.16Å; D406-E409 WeakPolarHBondContact O-CB 3.31Å; D406-E409 PolarHBondContact O-N 2.81Å; D406-E409 VanDerWaalsContact O-N 3.09Å; A407-E409 PolarHBondContact O-N 3.44Å; E409-K551 IonicContact OE1-NZ 2.62Å; E409-K551 PolarHBondContact OE1-NZ 2.82Å; E409-K551 VanDerWaalsContact OE1-NZ 3.08Å
410	V	94.5	Very high	95.7	Very high	45 Å²	45	36.7 Å²	36.7	27%	0.273	20%	0.202	S	C	.	.	H	α-helix	trans	-76.3	-39.6	175.3	71.3	0	0	0	0	111.7	A407 A412 L413 D435 V436	A407-V410 WeakPolarHBondContact O-CG1 3.42Å; A407-V410 PolarHBondContact O-N 2.91Å; V410-A412 VanDerWaalsContact C-N 3.3Å; V410-A412 PolarHBondContact O-N 2.9Å; V410-L413 VanDerWaalsContact O-CB 3.31Å; V410-L413 WeakPolarHBondContact O-CB 3.47Å; V410-L413 PolarHBondContact O-N 3.16Å; V410-D435 HydrophobicContact CG1-CB 4.29Å; V410-V436 HydrophobicContact CG1-CG2 4.01Å
411	D	95.6	Very high	95.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-74.4	-19.4	-172.2	-164.4	43.1	0	0	0	113.6	A407 L413 S416 K440 G529 F530 Y607	A407-D411 WeakPolarHBondContact O-CB 3.17Å; A407-D411 PolarHBondContact O-N 3.35Å; D411-L413 PolarHBondContact O-N 3.34Å; D411-S416 PolarHBondContact OD1-OG 2.85Å; D411-K440 VanDerWaalsContact CG-NZ 3.29Å; D411-K440 IonicContact OD1-NZ 3.54Å; D411-K440 PolarHBondContact OD1-NZ 2.86Å; D411-K440 WeakPolarHBondContact OD2-CD 3.4Å; D411-K440 WeakPolarHBondContact OD2-CE 3.35Å; D411-K440 IonicContact OD2-NZ 2.72Å; D411-K440 PolarHBondContact OD2-NZ 3.39Å; D411-G529 VanDerWaalsContact CG-CA 3.41Å; D411-G529 WeakPolarHBondContact O-CA 3.44Å; D411-G529 WeakPolarHBondContact OD1-CA 3.34Å; D411-G529 PolarHBondContact OD1-N 3.02Å; D411-G529 WeakPolarHBondContact OD2-CA 3.33Å; D411-G529 PolarHBondContact OD2-N 2.71Å; D411-F530 HydrophobicContact CB-CD1 4.27Å; D411-F530 HydrophobicContact CB-CE1 4.37Å; D411-Y607 WeakPolarHBondContact OD2-CE1 3.29Å; D411-Y607 PolarHBondContact OD2-OH 3.33Å
412	A	93.2	Very high	95.8	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.008	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-5.6	170	0	0	0	0	0	114	M408 V410 F530 Y549 M550 K551	M408-A412 WeakPolarHBondContact O-CB 3.43Å; M408-A412 PolarHBondContact O-N 3.24Å; V410-A412 VanDerWaalsContact C-N 3.3Å; V410-A412 PolarHBondContact O-N 2.9Å; A412-F530 HydrophobicContact CB-CE1 3.94Å; A412-F530 HydrophobicContact CB-CZ 4.02Å; A412-Y549 HydrophobicContact CB-CD1 3.77Å; A412-Y549 HydrophobicContact CB-CE1 3.56Å; A412-M550 WeakPolarHBondContact O-CA 3.11Å; A412-K551 HydrophobicContact CB-CB 4.12Å; A412-K551 PolarHBondContact O-N 3.36Å
413	L	90.6	Very high	95.8	Very high	70 Å²	70	41.4 Å²	41.4	37%	0.366	23%	0.232	S	C	.	.	S	Bend	trans	-93	144.7	-179.8	-55.8	177.3	0	0	0	111.5	V410 D411 S415 S416 K551	V410-L413 VanDerWaalsContact O-CB 3.31Å; V410-L413 WeakPolarHBondContact O-CB 3.47Å; V410-L413 PolarHBondContact O-N 3.16Å; D411-L413 PolarHBondContact O-N 3.34Å; L413-S415 WeakPolarHBondContact CB-OG 3.4Å; L413-S415 PolarHBondContact O-N 2.94Å; L413-S416 VanDerWaalsContact O-CB 3.31Å; L413-S416 WeakPolarHBondContact O-CB 3.39Å; L413-S416 PolarHBondContact O-N 2.66Å; L413-K551 HydrophobicContact CD2-CB 4.29Å; L413-K551 HydrophobicContact CD2-CD 4.3Å
414	N	88.3	Confident	95.7	Very high	117 Å²	117	42.8 Å²	42.8	63%	0.626	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-5.1	173.4	-174.6	49	0	0	0	113.8	R528	N414-R528 PolarHBondContact O-NH1 2.87Å; N414-R528 PolarHBondContact OD1-NH2 3.03Å
415	S	90.9	Very high	95.5	Very high	96 Å²	96	45.3 Å²	45.3	67%	0.671	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-6.7	170.3	50.1	0	0	0	0	114.1	L413	L413-S415 WeakPolarHBondContact CB-OG 3.4Å; L413-S415 PolarHBondContact O-N 2.94Å
416	S	94	Very high	95.4	Very high	7 Å²	7	44.8 Å²	44.8	5%	0.049	25%	0.252	C	S	.	.			trans	-64.3	158.8	174.2	-174.4	0	0	0	0	112.3	D411 L413 R528	D411-S416 PolarHBondContact OD1-OG 2.85Å; L413-S416 VanDerWaalsContact O-CB 3.31Å; L413-S416 WeakPolarHBondContact O-CB 3.39Å; L413-S416 PolarHBondContact O-N 2.66Å; S416-R528 WeakPolarHBondContact O-CD 3.33Å; S416-R528 PolarHBondContact O-NH1 3.3Å
417	H	96.8	Very high	95.2	Very high	43 Å²	43	43.3 Å²	43.3	20%	0.199	25%	0.25	C	S	.	.			trans	-120.2	162.5	173.1	56.4	82.3	0	0	0	111.9	T421 D434 R528	H417-T421 HydrophobicContact CB-CG2 4.04Å; H417-D434 IonicContact CE1-OD1 2.74Å; H417-D434 IonicContact CE1-OD2 3.08Å; H417-D434 IonicContact NE2-OD1 2.9Å; H417-D434 IonicContact NE2-OD2 3.24Å; H417-R528 VanDerWaalsContact C-CB 3.44Å; H417-R528 WeakPolarHBondContact O-CB 3.35Å
418	P	98	Very high	95.1	Very high	27 Å²	27	46.7 Å²	46.7	18%	0.175	27%	0.266	C	S	.	.			trans	-62.3	155.9	168.2	-19.3	32.7	0	0	0	111.1	S420 T525 R528	P418-S420 PolarHBondContact O-N 2.74Å; P418-T525 VanDerWaalsContact CB-O 3.26Å; P418-T525 WeakPolarHBondContact CB-O 3.21Å; P418-R528 HydrophobicContact CG-CB 4.35Å
419	V	98.1	Very high	95.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-60.3	-36.1	179	-176.6	0	0	0	0	111.3	W373 V436 K440 I444 T525	W373-V419 HydrophobicContact CB-CG1 3.61Å; W373-V419 HydrophobicContact CD2-CG1 3.72Å; W373-V419 HydrophobicContact CE3-CG1 4.27Å; W373-V419 HydrophobicContact CG-CG1 3.37Å; V419-V436 HydrophobicContact CB-CG1 4.46Å; V419-V436 HydrophobicContact CG2-CG1 4.05Å; V419-K440 HydrophobicContact CG2-CD 3.7Å; V419-K440 HydrophobicContact CG2-CG 3.89Å; V419-I444 HydrophobicContact CG2-CD1 4.42Å; V419-T525 HydrophobicContact CB-CG2 4.3Å; V419-T525 PolarHBondContact N-O 2.74Å; V419-T525 VanDerWaalsContact N-O 3.09Å
420	S	98.1	Very high	95.2	Very high	13 Å²	13	47.5 Å²	47.5	9%	0.091	27%	0.265	C	S	.	.	S	Bend	trans	-107.9	113.3	166	-76	0	0	0	0	110.8	N370 D371 W373 P418 N475 T525	N370-S420 VanDerWaalsContact O-CA 3.27Å; N370-S420 WeakPolarHBondContact O-CA 3.42Å; D371-S420 WeakPolarHBondContact OD1-CB 3.13Å; D371-S420 PolarHBondContact OD1-OG 3.09Å; W373-S420 PolarHBondContact NE1-OG 3.21Å; P418-S420 PolarHBondContact O-N 2.74Å; S420-N475 WeakPolarHBondContact CB-ND2 3.28Å; S420-N475 VanDerWaalsContact OG-CG 3.24Å; S420-N475 PolarHBondContact OG-ND2 3.19Å; S420-N475 PolarHBondContact OG-OD1 2.92Å; S420-N475 VanDerWaalsContact OG-OD1 3.08Å; S420-T525 PolarHBondContact N-O 2.98Å
421	T	96.4	Very high	95.2	Very high	31 Å²	31	51.8 Å²	51.8	19%	0.19	28%	0.282	C	S	.	.			trans	-137.9	142.5	-178.7	-173	0	0	0	0	111.8	N370 H417 V423 M432	N370-T421 VanDerWaalsContact CA-O 3.3Å; N370-T421 WeakPolarHBondContact CA-O 3.18Å; N370-T421 WeakPolarHBondContact CB-O 3.36Å; N370-T421 PolarHBondContact O-N 2.85Å; H417-T421 HydrophobicContact CB-CG2 4.04Å; T421-V423 PolarHBondContact O-N 3.4Å; T421-M432 HydrophobicContact CG2-CE 3.93Å; T421-M432 HydrophobicContact CG2-SD 3.45Å; T421-M432 WeakPolarHBondContact CG2-SD 3.32Å
422	P	97.9	Very high	95.2	Very high	117 Å²	117	51.9 Å²	51.9	76%	0.76	28%	0.282	S	S	*	.			trans	-65.2	130.6	-179	-21.6	33.7	0	0	0	113.2
423	V	97.1	Very high	95.3	Very high	18 Å²	18	54.6 Å²	54.6	11%	0.109	29%	0.294	C	S	.	.			trans	-132.7	149.6	172.1	-65.4	0	0	0	0	110.1	W368 W369 T421 Q428 I429 M432	W368-V423 PolarHBondContact NE1-O 2.86Å; W369-V423 HydrophobicContact CB-CG2 3.84Å; T421-V423 PolarHBondContact O-N 3.4Å; V423-Q428 HydrophobicContact CB-CB 3.88Å; V423-Q428 HydrophobicContact CG1-CB 3.95Å; V423-I429 HydrophobicContact CB-CG1 4.32Å; V423-I429 HydrophobicContact CG2-CG1 3.91Å; V423-M432 HydrophobicContact CB-CG 4.49Å; V423-M432 HydrophobicContact CG1-CG 3.72Å; V423-M432 HydrophobicContact CG1-SD 3.67Å; V423-M432 HydrophobicContact CG2-CG 4.07Å
424	E	94.8	Very high	95.5	Very high	90 Å²	90	52.9 Å²	52.9	42%	0.421	29%	0.285	S	S	.	.			trans	-130.1	-49.3	-178.8	-168.7	-178.6	-173.4	0	0	113.3	I52	I52-E424 HydrophobicContact CB-CG 3.93Å; I52-E424 HydrophobicContact CD1-CG 4.04Å; I52-E424 HydrophobicContact CG1-CG 4.46Å; I52-E424 HydrophobicContact CG2-CG 4.23Å
425	N	95.3	Very high	96	Very high	54 Å²	54	51 Å²	51	29%	0.289	28%	0.275	S	S	.	.	S	Bend	trans	-92.2	158.4	-174.5	75.9	64.5	0	0	0	112.8	I52 A427 Q428 I429	I52-N425 HydrophobicContact CD1-CB 4.03Å; N425-A427 PolarHBondContact O-N 3Å; N425-A427 WeakPolarHBondContact OD1-CB 3.28Å; N425-A427 PolarHBondContact OD1-N 3.18Å; N425-Q428 VanDerWaalsContact N-OE1 3.11Å; N425-Q428 WeakPolarHBondContact ND2-CG 3.49Å; N425-Q428 PolarHBondContact ND2-OE1 2.95Å; N425-Q428 PolarHBondContact O-N 3.02Å; N425-Q428 VanDerWaalsContact O-N 3.12Å; N425-Q428 PolarHBondContact OD1-N 3.01Å; N425-I429 WeakPolarHBondContact O-CG1 3.38Å; N425-I429 PolarHBondContact O-N 2.7Å
426	P	94.8	Very high	96.3	Very high	18 Å²	18	46.5 Å²	46.5	12%	0.117	24%	0.243	C	C	.	.	H	α-helix	trans	-57	-24.5	-177	-30.4	37.8	0	0	0	116.3	R430	P426-R430 WeakPolarHBondContact O-CG 3.36Å; P426-R430 PolarHBondContact O-N 2.9Å; P426-R430 PolarHBondContact O-NE 3.09Å; P426-R430 PolarHBondContact O-NH1 2.72Å; P426-R430 PolarHBondContact O-NH2 3.1Å
427	A	95.4	Very high	96.5	Very high	44 Å²	44	46.2 Å²	46.2	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-74.1	-49.3	175.3	0	0	0	0	0	110.9	N425 I429 R430 E431	N425-A427 PolarHBondContact O-N 3Å; N425-A427 WeakPolarHBondContact OD1-CB 3.28Å; N425-A427 PolarHBondContact OD1-N 3.18Å; A427-I429 VanDerWaalsContact C-N 3.28Å; A427-I429 PolarHBondContact O-N 2.67Å; A427-R430 PolarHBondContact O-N 3.29Å; A427-R430 VanDerWaalsContact O-N 3.08Å; A427-E431 WeakPolarHBondContact O-CG 3.27Å; A427-E431 PolarHBondContact O-N 3.22Å
428	Q	95.8	Very high	96.6	Very high	71 Å²	71	46.6 Å²	46.6	33%	0.332	24%	0.241	S	C	.	.	H	α-helix	trans	-59	-39.2	174.4	-66.9	170.6	-34.2	0	0	112.2	V423 N425 R430 E431 M432	V423-Q428 HydrophobicContact CB-CB 3.88Å; V423-Q428 HydrophobicContact CG1-CB 3.95Å; N425-Q428 VanDerWaalsContact N-OE1 3.11Å; N425-Q428 WeakPolarHBondContact ND2-CG 3.49Å; N425-Q428 PolarHBondContact ND2-OE1 2.95Å; N425-Q428 PolarHBondContact O-N 3.02Å; N425-Q428 VanDerWaalsContact O-N 3.12Å; N425-Q428 PolarHBondContact OD1-N 3.01Å; Q428-R430 VanDerWaalsContact C-N 3.31Å; Q428-R430 PolarHBondContact O-N 2.81Å; Q428-E431 WeakPolarHBondContact O-CB 3.34Å; Q428-E431 PolarHBondContact O-N 3.09Å; Q428-M432 PolarHBondContact O-N 2.72Å
429	I	97.1	Very high	96.6	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-38.9	176.8	-66	164.1	0	0	0	110.8	P184 T185 W368 W369 V423 N425 A427 E431 M432 F433	P184-I429 HydrophobicContact CB-CG2 3.47Å; P184-I429 VanDerWaalsContact CB-CG2 3.47Å; P184-I429 HydrophobicContact CG-CG2 3.64Å; T185-I429 HydrophobicContact CG2-CD1 4.02Å; W368-I429 HydrophobicContact CH2-CD1 3.87Å; W368-I429 HydrophobicContact CZ2-CD1 3.76Å; W368-I429 HydrophobicContact CZ2-CG1 4.4Å; W369-I429 HydrophobicContact CB-CB 4.43Å; W369-I429 HydrophobicContact CB-CG1 4.09Å; W369-I429 HydrophobicContact CB-CG2 3.75Å; W369-I429 HydrophobicContact CD2-CG2 3.55Å; W369-I429 HydrophobicContact CE3-CG2 4.02Å; W369-I429 HydrophobicContact CG-CB 4.35Å; W369-I429 HydrophobicContact CG-CD1 4.31Å; W369-I429 HydrophobicContact CG-CG1 4.08Å; W369-I429 HydrophobicContact CG-CG2 3.37Å; V423-I429 HydrophobicContact CB-CG1 4.32Å; V423-I429 HydrophobicContact CG2-CG1 3.91Å; N425-I429 WeakPolarHBondContact O-CG1 3.38Å; N425-I429 PolarHBondContact O-N 2.7Å; A427-I429 VanDerWaalsContact C-N 3.28Å; A427-I429 PolarHBondContact O-N 2.67Å; I429-E431 VanDerWaalsContact C-N 3.35Å; I429-M432 WeakPolarHBondContact O-CB 2.95Å; I429-M432 PolarHBondContact O-N 3.06Å; I429-F433 WeakPolarHBondContact O-CD2 3.47Å; I429-F433 WeakPolarHBondContact O-CE2 3.36Å
430	R	95.9	Very high	96.6	Very high	133 Å²	133	45.4 Å²	45.4	50%	0.502	23%	0.233	S	C	.	.	H	α-helix	trans	-70.8	-28.3	174.4	-74.6	-177	-62.7	-93.4	1	113.3	P184 P426 A427 Q428 M432 F433	P184-R430 HydrophobicContact CG-CG 3.82Å; P426-R430 WeakPolarHBondContact O-CG 3.36Å; P426-R430 PolarHBondContact O-N 2.9Å; P426-R430 PolarHBondContact O-NE 3.09Å; P426-R430 PolarHBondContact O-NH1 2.72Å; P426-R430 PolarHBondContact O-NH2 3.1Å; A427-R430 PolarHBondContact O-N 3.29Å; A427-R430 VanDerWaalsContact O-N 3.08Å; Q428-R430 VanDerWaalsContact C-N 3.31Å; Q428-R430 PolarHBondContact O-N 2.81Å; R430-M432 PolarHBondContact O-N 3.21Å; R430-F433 PolarHBondContact O-N 2.68Å
431	E	95.3	Very high	96.6	Very high	135 Å²	135	44.8 Å²	44.8	63%	0.631	23%	0.229	S	C	*	.	H	α-helix	trans	-66.6	-19.5	174.6	-71.4	166.3	174.6	0	0	112.6	A427 Q428 I429 F433	A427-E431 WeakPolarHBondContact O-CG 3.27Å; A427-E431 PolarHBondContact O-N 3.22Å; Q428-E431 WeakPolarHBondContact O-CB 3.34Å; Q428-E431 PolarHBondContact O-N 3.09Å; I429-E431 VanDerWaalsContact C-N 3.35Å; E431-F433 VanDerWaalsContact C-N 3.27Å; E431-F433 PolarHBondContact O-N 2.85Å
432	M	95.6	Very high	96.8	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.015	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.5	173.1	-63.8	-64.4	-59.1	0	0	113.9	L372 T421 V423 Q428 I429 R430 D434 S437	L372-M432 HydrophobicContact CB-CB 4.47Å; L372-M432 HydrophobicContact CD2-CB 3.65Å; T421-M432 HydrophobicContact CG2-CE 3.93Å; T421-M432 HydrophobicContact CG2-SD 3.45Å; T421-M432 WeakPolarHBondContact CG2-SD 3.32Å; V423-M432 HydrophobicContact CB-CG 4.49Å; V423-M432 HydrophobicContact CG1-CG 3.72Å; V423-M432 HydrophobicContact CG1-SD 3.67Å; V423-M432 HydrophobicContact CG2-CG 4.07Å; Q428-M432 PolarHBondContact O-N 2.72Å; I429-M432 WeakPolarHBondContact O-CB 2.95Å; I429-M432 PolarHBondContact O-N 3.06Å; R430-M432 PolarHBondContact O-N 3.21Å; M432-D434 PolarHBondContact O-N 3.04Å; M432-S437 WeakPolarHBondContact O-CB 3.2Å; M432-S437 PolarHBondContact O-OG 3.26Å
433	F	95.1	Very high	96.8	Very high	57 Å²	57	37.8 Å²	37.8	25%	0.25	18%	0.184	C	C	.	.	S	Bend	trans	-84.7	68.9	-179.9	-69.6	-100.1	0	0	0	109.8	E183 P184 W369 L372 I429 R430 E431 Y438	E183-F433 HydrophobicContact CG-CE1 4.28Å; E183-F433 HydrophobicContact CG-CZ 3.85Å; E183-F433 WeakPolarHBondContact OE2-CE1 3.5Å; P184-F433 HydrophobicContact CB-CE2 4.01Å; P184-F433 HydrophobicContact CB-CZ 4.21Å; P184-F433 HydrophobicContact CG-CE2 4.15Å; W369-F433 HydrophobicContact CE3-CE2 4.33Å; W369-F433 HydrophobicContact CE3-CZ 4.21Å; W369-F433 HydrophobicContact CZ3-CE2 4.4Å; W369-F433 AromaticContact CZ3-CZ 3.88Å; W369-F433 HydrophobicContact CZ3-CZ 3.88Å; L372-F433 HydrophobicContact CD1-CE1 4.02Å; L372-F433 HydrophobicContact CD1-CZ 3.87Å; L372-F433 HydrophobicContact CD2-CD1 3.9Å; L372-F433 HydrophobicContact CD2-CD2 3.58Å; L372-F433 HydrophobicContact CD2-CE1 3.81Å; L372-F433 HydrophobicContact CD2-CE2 3.5Å; L372-F433 VanDerWaalsContact CD2-CE2 3.5Å; L372-F433 HydrophobicContact CD2-CG 3.79Å; L372-F433 HydrophobicContact CD2-CZ 3.62Å; L372-F433 HydrophobicContact CG-CZ 4.43Å; I429-F433 WeakPolarHBondContact O-CD2 3.47Å; I429-F433 WeakPolarHBondContact O-CE2 3.36Å; R430-F433 PolarHBondContact O-N 2.68Å; E431-F433 VanDerWaalsContact C-N 3.27Å; E431-F433 PolarHBondContact O-N 2.85Å; F433-Y438 HydrophobicContact CB-CE2 4.32Å; F433-Y438 HydrophobicContact CD1-CE2 4.38Å
434	D	96	Very high	96.9	Very high	34 Å²	34	37 Å²	37	18%	0.182	18%	0.179	C	C	.	.	S	Bend	trans	-138.3	172.3	-167.8	88.4	-49	0	0	0	113.4	H417 M432 V436 S437 Y438	H417-D434 IonicContact CE1-OD1 2.74Å; H417-D434 IonicContact CE1-OD2 3.08Å; H417-D434 IonicContact NE2-OD1 2.9Å; H417-D434 IonicContact NE2-OD2 3.24Å; M432-D434 PolarHBondContact O-N 3.04Å; D434-V436 VanDerWaalsContact CG-N 3.35Å; D434-V436 PolarHBondContact O-N 3.17Å; D434-V436 WeakPolarHBondContact OD1-CB 3.08Å; D434-V436 PolarHBondContact OD1-N 3.49Å; D434-V436 WeakPolarHBondContact OD2-CB 3.33Å; D434-V436 VanDerWaalsContact OD2-CG2 3.24Å; D434-V436 WeakPolarHBondContact OD2-CG2 3.37Å; D434-V436 PolarHBondContact OD2-N 3.49Å; D434-V436 VanDerWaalsContact OD2-N 3.08Å; D434-S437 PolarHBondContact O-N 3.08Å; D434-S437 PolarHBondContact OD1-N 2.76Å; D434-Y438 VanDerWaalsContact O-CD2 3.32Å; D434-Y438 WeakPolarHBondContact O-CD2 3.49Å; D434-Y438 PolarHBondContact O-N 2.76Å
435	D	97.1	Very high	97.1	Very high	79 Å²	79	32.7 Å²	32.7	42%	0.422	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.5	-178	-55.6	-29.4	0	0	0	113.1	V410 D439 K440	V410-D435 HydrophobicContact CG1-CB 4.29Å; D435-D439 WeakPolarHBondContact O-CA 3.47Å; D435-D439 WeakPolarHBondContact O-CB 3.38Å; D435-D439 PolarHBondContact O-N 3.01Å; D435-K440 PolarHBondContact O-N 3.22Å
436	V	97.8	Very high	97.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	15%	0.149	C	C	.	.	I	π-helix	trans	-72.1	-49.1	171.3	178	0	0	0	0	111.4	V410 V419 D434 K440 G441	V410-V436 HydrophobicContact CG1-CG2 4.01Å; V419-V436 HydrophobicContact CB-CG1 4.46Å; V419-V436 HydrophobicContact CG2-CG1 4.05Å; D434-V436 VanDerWaalsContact CG-N 3.35Å; D434-V436 PolarHBondContact O-N 3.17Å; D434-V436 WeakPolarHBondContact OD1-CB 3.08Å; D434-V436 PolarHBondContact OD1-N 3.49Å; D434-V436 WeakPolarHBondContact OD2-CB 3.33Å; D434-V436 VanDerWaalsContact OD2-CG2 3.24Å; D434-V436 WeakPolarHBondContact OD2-CG2 3.37Å; D434-V436 PolarHBondContact OD2-N 3.49Å; D434-V436 VanDerWaalsContact OD2-N 3.08Å; V436-K440 HydrophobicContact CG1-CD 4.3Å; V436-K440 WeakPolarHBondContact O-CB 3.11Å; V436-G441 PolarHBondContact O-N 3.39Å; V436-G441 VanDerWaalsContact O-N 3.16Å
437	S	97.9	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	I	π-helix	trans	-68.7	-41.8	177.8	-66.6	0	0	0	0	112.9	G377 M432 D434	G377-S437 WeakPolarHBondContact CA-O 3.4Å; G377-S437 PolarHBondContact N-O 2.78Å; M432-S437 WeakPolarHBondContact O-CB 3.2Å; M432-S437 PolarHBondContact O-OG 3.26Å; D434-S437 PolarHBondContact O-N 3.08Å; D434-S437 PolarHBondContact OD1-N 2.76Å
438	Y	98.4	Very high	97.5	Very high	51 Å²	51	28 Å²	28	20%	0.2	13%	0.127	C	C	.	.	I	π-helix	trans	-78.1	-70.6	-179.3	-76.5	-87.7	0	0	0	112.1	H353 E376 F433 D434 A442	H353-Y438 AromaticContact CE1-CE1 3.83Å; H353-Y438 AromaticContact NE2-CE1 3.61Å; E376-Y438 HydrophobicContact CB-CD1 3.74Å; E376-Y438 HydrophobicContact CB-CD2 4.26Å; E376-Y438 HydrophobicContact CB-CE1 3.67Å; E376-Y438 HydrophobicContact CB-CE2 4.21Å; E376-Y438 HydrophobicContact CB-CG 4.02Å; E376-Y438 HydrophobicContact CG-CD1 4.43Å; E376-Y438 HydrophobicContact CG-CE1 3.91Å; E376-Y438 HydrophobicContact CG-CE2 4.04Å; E376-Y438 WeakPolarHBondContact OE2-CE1 3.2Å; E376-Y438 PolarHBondContact OE2-OH 3.32Å; F433-Y438 HydrophobicContact CB-CE2 4.32Å; F433-Y438 HydrophobicContact CD1-CE2 4.38Å; D434-Y438 VanDerWaalsContact O-CD2 3.32Å; D434-Y438 WeakPolarHBondContact O-CD2 3.49Å; D434-Y438 PolarHBondContact O-N 2.76Å; Y438-A442 WeakPolarHBondContact O-CB 3.41Å; Y438-A442 PolarHBondContact O-N 3.28Å
439	D	98.7	Very high	97.6	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.011	12%	0.121	C	C	.	.	I	π-helix	trans	-83.8	-43.4	-162.8	-74.9	-21.2	0	0	0	111.6	K380 K403 A407 D435 A442 C443	K380-D439 WeakPolarHBondContact CD-OD1 3.44Å; K380-D439 WeakPolarHBondContact CE-OD1 3.39Å; K403-D439 HydrophobicContact CB-CB 4.03Å; K403-D439 VanDerWaalsContact CD-OD2 3.31Å; K403-D439 WeakPolarHBondContact CD-OD2 3.49Å; K403-D439 WeakPolarHBondContact CE-OD2 3.36Å; K403-D439 IonicContact NZ-OD1 2.8Å; K403-D439 IonicContact NZ-OD2 3.5Å; K403-D439 PolarHBondContact NZ-OD2 2.88Å; A407-D439 HydrophobicContact CB-CB 3.98Å; D435-D439 WeakPolarHBondContact O-CA 3.47Å; D435-D439 WeakPolarHBondContact O-CB 3.38Å; D435-D439 PolarHBondContact O-N 3.01Å; D439-A442 PolarHBondContact O-N 2.96Å; D439-C443 WeakPolarHBondContact O-CB 3.29Å; D439-C443 PolarHBondContact O-N 3.45Å; D439-C443 PolarHBondContact O-SG 3.06Å
440	K	98.8	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.134	C	C	.	.	I	π-helix	trans	-63.4	-42.4	170.4	176.7	174	179.3	173.9	0	111.1	A407 D411 V419 D435 V436 A442 C443 I444 G529 Y607	A407-K440 HydrophobicContact CB-CB 3.98Å; D411-K440 VanDerWaalsContact CG-NZ 3.29Å; D411-K440 IonicContact OD1-NZ 3.54Å; D411-K440 PolarHBondContact OD1-NZ 2.86Å; D411-K440 WeakPolarHBondContact OD2-CD 3.4Å; D411-K440 WeakPolarHBondContact OD2-CE 3.35Å; D411-K440 IonicContact OD2-NZ 2.72Å; D411-K440 PolarHBondContact OD2-NZ 3.39Å; V419-K440 HydrophobicContact CG2-CD 3.7Å; V419-K440 HydrophobicContact CG2-CG 3.89Å; D435-K440 PolarHBondContact O-N 3.22Å; V436-K440 HydrophobicContact CG1-CD 4.3Å; V436-K440 WeakPolarHBondContact O-CB 3.11Å; K440-A442 PolarHBondContact O-N 2.98Å; K440-C443 PolarHBondContact O-N 2.91Å; K440-I444 HydrophobicContact CG-CG2 4.31Å; K440-I444 WeakPolarHBondContact O-CG1 3.48Å; K440-I444 PolarHBondContact O-N 2.59Å; K440-G529 PolarHBondContact NZ-O 3.49Å; K440-Y607 HydrophobicContact CB-CE2 4.31Å; K440-Y607 HydrophobicContact CD-CD1 4.46Å; K440-Y607 HydrophobicContact CD-CE1 3.62Å; K440-Y607 HydrophobicContact CG-CD1 4.28Å; K440-Y607 HydrophobicContact CG-CE1 3.71Å; K440-Y607 HydrophobicContact CG-CE2 4.21Å
441	G	98.6	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-51.4	-51.3	172.9	0	0	0	0	0	112.5	V436 I444 L445	V436-G441 PolarHBondContact O-N 3.39Å; V436-G441 VanDerWaalsContact O-N 3.16Å; G441-I444 VanDerWaalsContact O-CG1 3.29Å; G441-I444 WeakPolarHBondContact O-CG1 3.27Å; G441-L445 WeakPolarHBondContact O-CG 3.17Å; G441-L445 PolarHBondContact O-N 3.31Å
442	A	98.8	Very high	97.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.4	-40.9	176.5	0	0	0	0	0	113.4	G377 K380 F381 F400 Y438 D439 K440 L445 N446	G377-A442 WeakPolarHBondContact O-CA 3.2Å; K380-A442 HydrophobicContact CB-CB 3.92Å; K380-A442 HydrophobicContact CG-CB 3.58Å; F381-A442 HydrophobicContact CB-CB 3.92Å; F400-A442 HydrophobicContact CE2-CB 4.21Å; F400-A442 HydrophobicContact CZ-CB 4.4Å; Y438-A442 WeakPolarHBondContact O-CB 3.41Å; Y438-A442 PolarHBondContact O-N 3.28Å; D439-A442 PolarHBondContact O-N 2.96Å; K440-A442 PolarHBondContact O-N 2.98Å; A442-L445 PolarHBondContact O-N 3.38Å; A442-N446 PolarHBondContact O-N 2.81Å
443	C	98.8	Very high	97.2	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-65.8	-38.9	-179.8	-70.1	0	0	0	0	113.2	C404 D439 K440 L445 N446 M447 Y607	C404-C443 WeakPolarHBondContact CA-SG 3.48Å; C404-C443 HydrophobicContact CB-CB 4.01Å; C404-C443 WeakPolarHBondContact CB-SG 3.19Å; C404-C443 PolarHBondContact N-SG 3.28Å; C404-C443 WeakPolarHBondContact SG-CB 3.47Å; C404-C443 CovalentContact SG-SG 2.04Å; C404-C443 PolarHBondContact SG-SG 3.21Å; D439-C443 WeakPolarHBondContact O-CB 3.29Å; D439-C443 PolarHBondContact O-N 3.45Å; D439-C443 PolarHBondContact O-SG 3.06Å; K440-C443 PolarHBondContact O-N 2.91Å; C443-L445 VanDerWaalsContact C-N 3.35Å; C443-N446 PolarHBondContact O-N 2.79Å; C443-M447 WeakPolarHBondContact O-CB 3.26Å; C443-M447 PolarHBondContact O-N 3.25Å; C443-Y607 HydrophobicContact CB-CD2 3.65Å; C443-Y607 HydrophobicContact CB-CE2 4.24Å; C443-Y607 HydrophobicContact CB-CG 4.47Å
444	I	98.8	Very high	97.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-72.2	-29.1	175.3	67.9	172.9	0	0	0	112.2	V419 K440 G441 M447 L448 M521 W524 T525 Y607	V419-I444 HydrophobicContact CG2-CD1 4.42Å; K440-I444 HydrophobicContact CG-CG2 4.31Å; K440-I444 WeakPolarHBondContact O-CG1 3.48Å; K440-I444 PolarHBondContact O-N 2.59Å; G441-I444 VanDerWaalsContact O-CG1 3.29Å; G441-I444 WeakPolarHBondContact O-CG1 3.27Å; I444-M447 HydrophobicContact CB-CE 4.34Å; I444-M447 HydrophobicContact CG2-CE 4.23Å; I444-L448 WeakPolarHBondContact O-CB 3.07Å; I444-L448 PolarHBondContact O-N 3.22Å; I444-M521 HydrophobicContact CB-CE 4.11Å; I444-M521 HydrophobicContact CD1-CE 4.23Å; I444-M521 HydrophobicContact CG1-CE 4.23Å; I444-W524 HydrophobicContact CD1-CB 4.25Å; I444-W524 HydrophobicContact CG2-CB 4.26Å; I444-W524 HydrophobicContact CG2-CE3 4.35Å; I444-T525 HydrophobicContact CD1-CG2 3.64Å; I444-Y607 HydrophobicContact CG2-CD1 4.42Å; I444-Y607 HydrophobicContact CG2-CG 4.32Å
445	L	98.8	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.6	-42.9	171	-71.7	172.4	0	0	0	112.1	W373 F378 F381 G441 A442 C443 L448 R449 F457	W373-L445 HydrophobicContact CZ3-CD1 4.31Å; W373-L445 HydrophobicContact CZ3-CD2 4.15Å; W373-L445 HydrophobicContact CZ3-CG 4.19Å; F378-L445 HydrophobicContact CB-CD1 4.44Å; F378-L445 HydrophobicContact CD1-CD1 3.86Å; F378-L445 HydrophobicContact CD2-CD1 3.67Å; F378-L445 HydrophobicContact CE1-CD1 3.91Å; F378-L445 HydrophobicContact CE1-CD2 3.94Å; F378-L445 HydrophobicContact CE2-CD1 3.71Å; F378-L445 HydrophobicContact CE2-CD2 3.77Å; F378-L445 HydrophobicContact CE2-CG 4.38Å; F378-L445 HydrophobicContact CG-CD1 3.74Å; F378-L445 HydrophobicContact CZ-CD1 3.83Å; F378-L445 HydrophobicContact CZ-CD2 3.4Å; F378-L445 VanDerWaalsContact CZ-CD2 3.4Å; F378-L445 HydrophobicContact CZ-CG 4.28Å; F381-L445 HydrophobicContact CB-CB 4.44Å; F381-L445 HydrophobicContact CB-CD1 4.23Å; F381-L445 HydrophobicContact CD2-CB 4.27Å; F381-L445 HydrophobicContact CG-CB 4.12Å; G441-L445 WeakPolarHBondContact O-CG 3.17Å; G441-L445 PolarHBondContact O-N 3.31Å; A442-L445 PolarHBondContact O-N 3.38Å; C443-L445 VanDerWaalsContact C-N 3.35Å; L445-L448 PolarHBondContact O-N 3.42Å; L445-R449 WeakPolarHBondContact O-CB 3.4Å; L445-R449 PolarHBondContact O-N 3.02Å; L445-F457 HydrophobicContact CB-CZ 4.33Å; L445-F457 HydrophobicContact CD2-CE2 4.33Å; L445-F457 HydrophobicContact CD2-CZ 4.26Å
446	N	98.6	Very high	96.7	Very high	13 Å²	13	23.1 Å²	23.1	7%	0.07	12%	0.122	C	C	.	.	H	α-helix	trans	-60.9	-46	173.2	-176.9	67.9	0	0	0	111.6	F381 F400 A442 C443 L448 R449 E450 N605	F381-N446 HydrophobicContact CD2-CB 4.12Å; F381-N446 HydrophobicContact CE2-CB 3.84Å; F400-N446 HydrophobicContact CD1-CB 4.46Å; F400-N446 HydrophobicContact CE1-CB 3.42Å; F400-N446 VanDerWaalsContact CE1-CB 3.42Å; F400-N446 HydrophobicContact CZ-CB 3.54Å; A442-N446 PolarHBondContact O-N 2.81Å; C443-N446 PolarHBondContact O-N 2.79Å; N446-L448 VanDerWaalsContact C-N 3.31Å; N446-L448 PolarHBondContact O-N 3.02Å; N446-R449 PolarHBondContact O-N 2.98Å; N446-E450 PolarHBondContact O-N 2.94Å; N446-N605 PolarHBondContact ND2-OD1 2.86Å
447	M	98.4	Very high	96.6	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.02	12%	0.121	C	C	.	.	H	α-helix	trans	-58.5	-41.4	175.5	-179.9	174.7	64.7	0	0	112.1	C443 I444 Y451 W524 P566 N605 Y607	C443-M447 WeakPolarHBondContact O-CB 3.26Å; C443-M447 PolarHBondContact O-N 3.25Å; I444-M447 HydrophobicContact CB-CE 4.34Å; I444-M447 HydrophobicContact CG2-CE 4.23Å; M447-Y451 WeakPolarHBondContact O-CB 3.13Å; M447-Y451 PolarHBondContact O-N 3.44Å; M447-W524 HydrophobicContact CE-CD2 3.54Å; M447-W524 HydrophobicContact CE-CE3 3.99Å; M447-W524 HydrophobicContact CE-CG 3.96Å; M447-W524 HydrophobicContact CE-CH2 4.09Å; M447-W524 HydrophobicContact CE-CZ2 3.66Å; M447-W524 HydrophobicContact CE-CZ3 4.25Å; M447-W524 HydrophobicContact SD-CH2 4.36Å; M447-W524 HydrophobicContact SD-CZ2 4.07Å; M447-P566 HydrophobicContact CG-CG 3.52Å; M447-P566 HydrophobicContact SD-CG 3.79Å; M447-N605 WeakPolarHBondContact CA-O 3.3Å; M447-N605 WeakPolarHBondContact CB-O 3.41Å; M447-Y607 PolarHBondContact SD-N 2.91Å; M447-Y607 VanDerWaalsContact SD-N 3.42Å
448	L	97.8	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-43.2	175.6	-179	61.6	0	0	0	112.1	I444 L445 N446 E450 Y451 L452 F457 W479 V517 M520 M521	I444-L448 WeakPolarHBondContact O-CB 3.07Å; I444-L448 PolarHBondContact O-N 3.22Å; L445-L448 PolarHBondContact O-N 3.42Å; N446-L448 VanDerWaalsContact C-N 3.31Å; N446-L448 PolarHBondContact O-N 3.02Å; L448-E450 PolarHBondContact O-N 3.09Å; L448-Y451 HydrophobicContact CD1-CD1 4.34Å; L448-Y451 PolarHBondContact O-N 3.37Å; L448-Y451 VanDerWaalsContact O-N 3.17Å; L448-L452 HydrophobicContact CD1-CD1 3.76Å; L448-L452 HydrophobicContact CD1-CD2 4.48Å; L448-L452 HydrophobicContact CD1-CG 3.8Å; L448-L452 HydrophobicContact CD2-CD1 4.44Å; L448-L452 HydrophobicContact CG-CD1 3.92Å; L448-L452 HydrophobicContact CG-CG 4.26Å; L448-L452 WeakPolarHBondContact O-CB 3.36Å; L448-L452 WeakPolarHBondContact O-CG 3.35Å; L448-L452 PolarHBondContact O-N 3Å; L448-F457 HydrophobicContact CB-CE2 4.4Å; L448-F457 HydrophobicContact CD2-CD2 4.4Å; L448-F457 HydrophobicContact CD2-CE2 4.18Å; L448-F457 HydrophobicContact CG-CD2 4.24Å; L448-F457 HydrophobicContact CG-CE2 4.29Å; L448-W479 HydrophobicContact CD2-CE3 4.38Å; L448-W479 HydrophobicContact CD2-CZ3 3.7Å; L448-V517 HydrophobicContact CD1-CG1 4.03Å; L448-V517 HydrophobicContact CD2-CG1 4.23Å; L448-M520 HydrophobicContact CD1-CE 4.47Å; L448-M521 HydrophobicContact CB-CE 4.15Å; L448-M521 HydrophobicContact CB-SD 4.06Å; L448-M521 HydrophobicContact CD1-CG 4.13Å; L448-M521 HydrophobicContact CD1-SD 3.91Å; L448-M521 HydrophobicContact CD2-CE 4.19Å; L448-M521 HydrophobicContact CD2-CG 3.99Å; L448-M521 HydrophobicContact CD2-SD 4.11Å; L448-M521 HydrophobicContact CG-SD 4.24Å
449	R	97.4	Very high	96.4	Very high	57 Å²	57	26 Å²	26	22%	0.215	14%	0.141	C	C	.	.	H	α-helix	trans	-59.4	-45.5	175.3	176.9	178.9	166.2	-80.8	-0.7	111.6	L445 N446 Y451 L452 S453 F457	L445-R449 WeakPolarHBondContact O-CB 3.4Å; L445-R449 PolarHBondContact O-N 3.02Å; N446-R449 PolarHBondContact O-N 2.98Å; R449-Y451 VanDerWaalsContact C-N 3.26Å; R449-Y451 PolarHBondContact O-N 2.95Å; R449-L452 PolarHBondContact O-N 3.19Å; R449-S453 CarbonylContact O-C 3.41Å; R449-S453 VanDerWaalsContact O-C 3.22Å; R449-S453 VanDerWaalsContact O-CA 3.24Å; R449-S453 WeakPolarHBondContact O-CA 3.46Å; R449-S453 PolarHBondContact O-N 3.16Å; R449-F457 HydrophobicContact CB-CB 4.19Å; R449-F457 HydrophobicContact CB-CD1 3.76Å; R449-F457 HydrophobicContact CB-CD2 3.87Å; R449-F457 HydrophobicContact CB-CE1 4.01Å; R449-F457 HydrophobicContact CB-CE2 4.12Å; R449-F457 HydrophobicContact CB-CG 3.68Å; R449-F457 HydrophobicContact CB-CZ 4.19Å; R449-F457 HydrophobicContact CG-CB 4.1Å; R449-F457 HydrophobicContact CG-CD1 3.78Å; R449-F457 HydrophobicContact CG-CE1 4.33Å; R449-F457 HydrophobicContact CG-CG 3.93Å
450	E	95.4	Very high	96.2	Very high	61 Å²	61	25.9 Å²	25.9	29%	0.285	14%	0.141	S	C	.	.	H	α-helix	trans	-67.3	-28	177.3	-73.5	-54	128.9	0	0	112.3	N446 L448 R579 N605	N446-E450 PolarHBondContact O-N 2.94Å; L448-E450 PolarHBondContact O-N 3.09Å; E450-R579 VanDerWaalsContact O-CZ 3.26Å; E450-R579 PolarHBondContact O-NH1 3.39Å; E450-R579 PolarHBondContact O-NH2 3.34Å; E450-R579 IonicContact OE2-NH2 2.78Å; E450-N605 HydrophobicContact CG-CB 4.28Å
451	Y	94.6	Very high	96.1	Very high	48 Å²	48	25.9 Å²	25.9	19%	0.188	14%	0.141	C	C	.	.	H	α-helix	trans	-76.7	-43.5	174.1	175	-112.5	0	0	0	113.3	M447 L448 R449 V515 M520 P566 L581	M447-Y451 WeakPolarHBondContact O-CB 3.13Å; M447-Y451 PolarHBondContact O-N 3.44Å; L448-Y451 HydrophobicContact CD1-CD1 4.34Å; L448-Y451 PolarHBondContact O-N 3.37Å; L448-Y451 VanDerWaalsContact O-N 3.17Å; R449-Y451 VanDerWaalsContact C-N 3.26Å; R449-Y451 PolarHBondContact O-N 2.95Å; Y451-V515 HydrophobicContact CE1-CG1 3.6Å; Y451-M520 HydrophobicContact CD1-CE 4.06Å; Y451-M520 HydrophobicContact CD1-SD 3.94Å; Y451-M520 HydrophobicContact CE1-SD 3.87Å; Y451-M520 HydrophobicContact CG-CE 4.35Å; Y451-P566 HydrophobicContact CD2-CB 3.73Å; Y451-P566 HydrophobicContact CE2-CB 4.49Å; Y451-P566 HydrophobicContact CG-CB 4.07Å; Y451-L581 HydrophobicContact CE2-CD2 4.5Å
452	L	91.9	Very high	96	Very high	27 Å²	27	27 Å²	27	14%	0.141	15%	0.148	C	C	.	.	H	α-helix	trans	-82.2	-15.8	-178.6	-66.7	-176.4	0	0	0	114.5	L448 R449 A456 V515 V517	L448-L452 HydrophobicContact CD1-CD1 3.76Å; L448-L452 HydrophobicContact CD1-CD2 4.48Å; L448-L452 HydrophobicContact CD1-CG 3.8Å; L448-L452 HydrophobicContact CD2-CD1 4.44Å; L448-L452 HydrophobicContact CG-CD1 3.92Å; L448-L452 HydrophobicContact CG-CG 4.26Å; L448-L452 WeakPolarHBondContact O-CB 3.36Å; L448-L452 WeakPolarHBondContact O-CG 3.35Å; L448-L452 PolarHBondContact O-N 3Å; R449-L452 PolarHBondContact O-N 3.19Å; L452-A456 HydrophobicContact CB-CB 4.41Å; L452-A456 WeakPolarHBondContact O-CB 3.45Å; L452-V515 HydrophobicContact CD2-CG1 3.77Å; L452-V517 HydrophobicContact CD1-CG2 4.32Å; L452-V517 HydrophobicContact CD2-CG2 3.99Å
453	S	93.6	Very high	95.9	Very high	61 Å²	61	30.4 Å²	30.4	43%	0.427	16%	0.164	S	C	.	.			trans	74.6	152.1	-157.6	81.6	0	0	0	0	114.2	R449 D455 F457	R449-S453 CarbonylContact O-C 3.41Å; R449-S453 VanDerWaalsContact O-C 3.22Å; R449-S453 VanDerWaalsContact O-CA 3.24Å; R449-S453 WeakPolarHBondContact O-CA 3.46Å; R449-S453 PolarHBondContact O-N 3.16Å; S453-D455 VanDerWaalsContact C-N 3.34Å; S453-D455 PolarHBondContact O-N 3Å; S453-F457 VanDerWaalsContact O-CB 3.32Å; S453-F457 WeakPolarHBondContact O-CB 3.41Å; S453-F457 PolarHBondContact O-N 2.69Å; S453-F457 VanDerWaalsContact O-N 3.08Å
454	A	92.8	Very high	95.9	Very high	33 Å²	33	30.5 Å²	30.5	27%	0.273	16%	0.164	S	C	.	.	H	α-helix	trans	-59.7	-39.2	-176.5	0	0	0	0	0	113.5	K458	A454-K458 WeakPolarHBondContact O-CB 3.34Å; A454-K458 PolarHBondContact O-N 3.3Å
455	D	93.6	Very high	95.9	Very high	115 Å²	115	30.5 Å²	30.5	62%	0.615	16%	0.164	S	C	*	.	H	α-helix	trans	-74.1	-40.2	-175.8	-65.8	-38.3	0	0	0	112.6	S453 S459	S453-D455 VanDerWaalsContact C-N 3.34Å; S453-D455 PolarHBondContact O-N 3Å; D455-S459 WeakPolarHBondContact O-CB 3.21Å; D455-S459 PolarHBondContact O-N 2.88Å; D455-S459 PolarHBondContact O-OG 3.36Å
456	A	92.1	Very high	95.8	Very high	11 Å²	11	35.6 Å²	35.6	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-45.1	174.8	0	0	0	0	0	111	L452 S459 G460 I485	L452-A456 HydrophobicContact CB-CB 4.41Å; L452-A456 WeakPolarHBondContact O-CB 3.45Å; A456-S459 PolarHBondContact O-N 2.57Å; A456-G460 PolarHBondContact O-N 3.28Å; A456-I485 HydrophobicContact CB-CG2 4.17Å
457	F	95.5	Very high	95.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.5	-44.5	176	-179.2	-94.8	0	0	0	112.3	F381 L445 L448 R449 S453 S459 G460 I461 M482	F381-F457 HydrophobicContact CD1-CE1 4.48Å; F381-F457 AromaticContact CE1-CE1 3.64Å; F381-F457 HydrophobicContact CE1-CE1 3.64Å; F381-F457 HydrophobicContact CE1-CZ 4.1Å; F381-F457 HydrophobicContact CZ-CE1 4.07Å; F381-F457 HydrophobicContact CZ-CZ 4.5Å; L445-F457 HydrophobicContact CB-CZ 4.33Å; L445-F457 HydrophobicContact CD2-CE2 4.33Å; L445-F457 HydrophobicContact CD2-CZ 4.26Å; L448-F457 HydrophobicContact CB-CE2 4.4Å; L448-F457 HydrophobicContact CD2-CD2 4.4Å; L448-F457 HydrophobicContact CD2-CE2 4.18Å; L448-F457 HydrophobicContact CG-CD2 4.24Å; L448-F457 HydrophobicContact CG-CE2 4.29Å; R449-F457 HydrophobicContact CB-CB 4.19Å; R449-F457 HydrophobicContact CB-CD1 3.76Å; R449-F457 HydrophobicContact CB-CD2 3.87Å; R449-F457 HydrophobicContact CB-CE1 4.01Å; R449-F457 HydrophobicContact CB-CE2 4.12Å; R449-F457 HydrophobicContact CB-CG 3.68Å; R449-F457 HydrophobicContact CB-CZ 4.19Å; R449-F457 HydrophobicContact CG-CB 4.1Å; R449-F457 HydrophobicContact CG-CD1 3.78Å; R449-F457 HydrophobicContact CG-CE1 4.33Å; R449-F457 HydrophobicContact CG-CG 3.93Å; S453-F457 VanDerWaalsContact O-CB 3.32Å; S453-F457 WeakPolarHBondContact O-CB 3.41Å; S453-F457 PolarHBondContact O-N 2.69Å; S453-F457 VanDerWaalsContact O-N 3.08Å; F457-S459 VanDerWaalsContact C-N 3.35Å; F457-S459 PolarHBondContact O-N 3.01Å; F457-G460 PolarHBondContact O-N 2.04Å; F457-I461 HydrophobicContact CD1-CD1 3.85Å; F457-I461 HydrophobicContact CE1-CD1 3.31Å; F457-I461 HydrophobicContact CE1-CG1 4.28Å; F457-I461 HydrophobicContact CZ-CD1 3.87Å; F457-I461 PolarHBondContact O-N 3.32Å; F457-M482 HydrophobicContact CD2-CE 3.71Å; F457-M482 HydrophobicContact CD2-SD 4.06Å; F457-M482 HydrophobicContact CE2-CE 3.59Å; F457-M482 HydrophobicContact CE2-SD 4.47Å; F457-M482 HydrophobicContact CG-CE 4.37Å; F457-M482 HydrophobicContact CZ-CE 4.15Å
458	K	96.4	Very high	95.8	Very high	58 Å²	58	40 Å²	40	25%	0.252	21%	0.206	S	C	.	.	H	α-helix	trans	-59.3	-45.2	174	-177.4	-177.8	-177.7	-174.6	0	111.3	Y296 A454 G460 I461 V462	Y296-K458 HydrophobicContact CD2-CD 4.3Å; Y296-K458 HydrophobicContact CE1-CD 4.21Å; Y296-K458 HydrophobicContact CE1-CG 3.94Å; Y296-K458 HydrophobicContact CE2-CD 3.81Å; Y296-K458 HydrophobicContact CE2-CG 4.38Å; Y296-K458 WeakPolarHBondContact O-CE 3.05Å; Y296-K458 PolarHBondContact O-NZ 3.28Å; A454-K458 WeakPolarHBondContact O-CB 3.34Å; A454-K458 PolarHBondContact O-N 3.3Å; K458-G460 VanDerWaalsContact C-N 3.3Å; K458-G460 PolarHBondContact O-N 3.3Å; K458-I461 WeakPolarHBondContact O-CB 3.46Å; K458-I461 PolarHBondContact O-N 3.23Å; K458-V462 WeakPolarHBondContact O-CG2 3.48Å; K458-V462 PolarHBondContact O-N 3.12Å
459	S	94.3	Very high	95.9	Very high	53 Å²	53	41.3 Å²	41.3	37%	0.371	22%	0.215	S	C	.	.	H	α-helix	trans	-60.7	-40.6	178.2	-57.6	0	0	0	0	111.7	D455 A456 F457 V462 Q463	D455-S459 WeakPolarHBondContact O-CB 3.21Å; D455-S459 PolarHBondContact O-N 2.88Å; D455-S459 PolarHBondContact O-OG 3.36Å; A456-S459 PolarHBondContact O-N 2.57Å; F457-S459 VanDerWaalsContact C-N 3.35Å; F457-S459 PolarHBondContact O-N 3.01Å; S459-V462 PolarHBondContact O-N 3.45Å; S459-Q463 PolarHBondContact O-N 3.37Å
460	G	95.1	Very high	95.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-42.1	176.1	0	0	0	0	0	112.9	A456 F457 K458 Q463 Y464	A456-G460 PolarHBondContact O-N 3.28Å; F457-G460 PolarHBondContact O-N 2.04Å; K458-G460 VanDerWaalsContact C-N 3.3Å; K458-G460 PolarHBondContact O-N 3.3Å; G460-Q463 PolarHBondContact O-N 2.95Å; G460-Y464 VanDerWaalsContact O-CB 3.3Å; G460-Y464 WeakPolarHBondContact O-CB 3.4Å; G460-Y464 PolarHBondContact O-N 3.18Å
461	I	96.8	Very high	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-50.2	171.9	-79.2	175.9	0	0	0	111.5	F297 F360 F378 F457 K458 Q463 Y464 L465 M482	F297-I461 HydrophobicContact CD1-CG2 3.81Å; F297-I461 HydrophobicContact CE1-CG2 3.81Å; F360-I461 HydrophobicContact CE2-CG2 4.38Å; F360-I461 HydrophobicContact CZ-CD1 4.21Å; F360-I461 HydrophobicContact CZ-CG1 4.23Å; F360-I461 HydrophobicContact CZ-CG2 3.64Å; F378-I461 HydrophobicContact CD1-CD1 4.48Å; F378-I461 HydrophobicContact CE1-CD1 3.93Å; F378-I461 HydrophobicContact CE1-CG1 4.05Å; F457-I461 HydrophobicContact CD1-CD1 3.85Å; F457-I461 HydrophobicContact CE1-CD1 3.31Å; F457-I461 HydrophobicContact CE1-CG1 4.28Å; F457-I461 HydrophobicContact CZ-CD1 3.87Å; F457-I461 PolarHBondContact O-N 3.32Å; K458-I461 WeakPolarHBondContact O-CB 3.46Å; K458-I461 PolarHBondContact O-N 3.23Å; I461-Q463 VanDerWaalsContact C-N 3.32Å; I461-Q463 PolarHBondContact O-N 3.06Å; I461-Y464 WeakPolarHBondContact O-CB 3.45Å; I461-Y464 PolarHBondContact O-N 3.4Å; I461-L465 HydrophobicContact CG2-CD1 3.81Å; I461-L465 HydrophobicContact CG2-CG 4.36Å; I461-L465 WeakPolarHBondContact O-CG 3.46Å; I461-L465 PolarHBondContact O-N 3.16Å; I461-M482 HydrophobicContact CG1-CE 3.74Å
462	V	97.1	Very high	96.2	Very high	23 Å²	23	44.4 Å²	44.4	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-44	-177	171.8	0	0	0	0	110.4	F297 K458 S459 L465 Q466	F297-V462 WeakPolarHBondContact O-CG1 3.48Å; F297-V462 WeakPolarHBondContact O-CG2 3.42Å; K458-V462 WeakPolarHBondContact O-CG2 3.48Å; K458-V462 PolarHBondContact O-N 3.12Å; S459-V462 PolarHBondContact O-N 3.45Å; V462-L465 PolarHBondContact O-N 3.39Å; V462-Q466 HydrophobicContact CG1-CG 4.41Å; V462-Q466 WeakPolarHBondContact O-CB 3.46Å; V462-Q466 VanDerWaalsContact O-CG 3.23Å; V462-Q466 WeakPolarHBondContact O-CG 3.47Å; V462-Q466 PolarHBondContact O-N 3.21Å
463	Q	96.3	Very high	96.6	Very high	73 Å²	73	43.2 Å²	43.2	34%	0.341	22%	0.224	S	C	.	.	H	α-helix	trans	-64.3	-41.9	176.4	-175	178.2	-27	0	0	112.6	S459 G460 I461 Q466 K467 S484 I485	S459-Q463 PolarHBondContact O-N 3.37Å; G460-Q463 PolarHBondContact O-N 2.95Å; I461-Q463 VanDerWaalsContact C-N 3.32Å; I461-Q463 PolarHBondContact O-N 3.06Å; Q463-Q466 PolarHBondContact O-N 3.01Å; Q463-K467 WeakPolarHBondContact O-CB 3.4Å; Q463-K467 PolarHBondContact O-N 3.06Å; Q463-S484 PolarHBondContact NE2-OG 2.95Å; Q463-S484 PolarHBondContact OE1-OG 3.03Å; Q463-I485 VanDerWaalsContact OE1-CD1 3.24Å
464	Y	98.4	Very high	96.8	Very high	3 Å²	3	44.5 Å²	44.5	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-53.3	174.7	168.9	-101.7	0	0	0	111.3	F360 V364 G460 I461 Q466 K467 H468 T473 D477 L478	F360-Y464 HydrophobicContact CD1-CE1 4.38Å; F360-Y464 HydrophobicContact CE1-CD1 4.29Å; F360-Y464 HydrophobicContact CE1-CE1 4.14Å; V364-Y464 HydrophobicContact CG1-CE1 4.01Å; G460-Y464 VanDerWaalsContact O-CB 3.3Å; G460-Y464 WeakPolarHBondContact O-CB 3.4Å; G460-Y464 PolarHBondContact O-N 3.18Å; I461-Y464 WeakPolarHBondContact O-CB 3.45Å; I461-Y464 PolarHBondContact O-N 3.4Å; Y464-Q466 PolarHBondContact O-N 3.07Å; Y464-K467 PolarHBondContact O-N 3.36Å; Y464-H468 WeakPolarHBondContact O-CB 3.47Å; Y464-H468 PolarHBondContact O-CD2 3.42Å; Y464-H468 PolarHBondContact O-N 3.02Å; Y464-T473 HydrophobicContact CD2-CG2 4.47Å; Y464-T473 HydrophobicContact CE2-CG2 3.57Å; Y464-T473 WeakPolarHBondContact OH-CB 3.33Å; Y464-T473 PolarHBondContact OH-OG1 3.06Å; Y464-D477 HydrophobicContact CE2-CB 4.47Å; Y464-L478 HydrophobicContact CD1-CD1 4.33Å; Y464-L478 HydrophobicContact CD2-CB 4.24Å; Y464-L478 HydrophobicContact CD2-CD1 4.04Å; Y464-L478 HydrophobicContact CE1-CD1 4.48Å; Y464-L478 HydrophobicContact CE2-CB 3.92Å; Y464-L478 HydrophobicContact CE2-CD1 4.18Å; Y464-L478 HydrophobicContact CG-CD1 4.1Å
465	L	98.6	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-44.1	179.7	-69.6	174.2	0	0	0	111.8	F297 I299 W359 F360 V364 I461 V462 S469	F297-L465 HydrophobicContact CB-CD1 4.25Å; F297-L465 HydrophobicContact CD1-CD1 3.71Å; F297-L465 HydrophobicContact CD2-CD1 4.43Å; F297-L465 HydrophobicContact CE1-CD1 4.16Å; F297-L465 HydrophobicContact CG-CD1 3.88Å; I299-L465 HydrophobicContact CD1-CB 3.45Å; I299-L465 VanDerWaalsContact CD1-CB 3.45Å; I299-L465 HydrophobicContact CD1-CD1 4.26Å; W359-L465 HydrophobicContact CB-CD1 4.09Å; W359-L465 HydrophobicContact CB-CD2 4.12Å; W359-L465 HydrophobicContact CG-CD1 4.46Å; F360-L465 HydrophobicContact CD1-CD2 4.06Å; F360-L465 HydrophobicContact CE1-CD1 4.49Å; F360-L465 HydrophobicContact CE1-CD2 3.94Å; F360-L465 HydrophobicContact CE1-CG 4.31Å; F360-L465 HydrophobicContact CE2-CD1 4.31Å; F360-L465 HydrophobicContact CZ-CD1 4.08Å; F360-L465 HydrophobicContact CZ-CD2 4.33Å; F360-L465 HydrophobicContact CZ-CG 4.37Å; V364-L465 HydrophobicContact CB-CD2 4.27Å; V364-L465 HydrophobicContact CG2-CD2 3.86Å; I461-L465 HydrophobicContact CG2-CD1 3.81Å; I461-L465 HydrophobicContact CG2-CG 4.36Å; I461-L465 WeakPolarHBondContact O-CG 3.46Å; I461-L465 PolarHBondContact O-N 3.16Å; V462-L465 PolarHBondContact O-N 3.39Å; L465-S469 WeakPolarHBondContact O-CB 3.43Å; L465-S469 PolarHBondContact O-N 3.35Å; L465-S469 PolarHBondContact O-OG 3Å
466	Q	97.7	Very high	97	Very high	108 Å²	108	43.2 Å²	43.2	51%	0.505	21%	0.207	S	C	.	.	H	α-helix	trans	-64.6	-46.3	177.7	-72.8	174.3	-2	0	0	112.7	I299 V462 Q463 Y464 H468	I299-Q466 HydrophobicContact CD1-CG 3.85Å; I299-Q466 HydrophobicContact CG1-CG 4.04Å; V462-Q466 HydrophobicContact CG1-CG 4.41Å; V462-Q466 WeakPolarHBondContact O-CB 3.46Å; V462-Q466 VanDerWaalsContact O-CG 3.23Å; V462-Q466 WeakPolarHBondContact O-CG 3.47Å; V462-Q466 PolarHBondContact O-N 3.21Å; Q463-Q466 PolarHBondContact O-N 3.01Å; Y464-Q466 PolarHBondContact O-N 3.07Å; Q466-H468 VanDerWaalsContact C-N 3.34Å; Q466-H468 PolarHBondContact O-N 3.02Å
467	K	98.3	Very high	97.3	Very high	95 Å²	95	44.7 Å²	44.7	41%	0.413	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-36.7	-177.7	178.4	-176.3	165.4	-135.3	0	112.5	Q463 Y464	Q463-K467 WeakPolarHBondContact O-CB 3.4Å; Q463-K467 PolarHBondContact O-N 3.06Å; Y464-K467 PolarHBondContact O-N 3.36Å
468	H	98.6	Very high	97.4	Very high	14 Å²	14	44.7 Å²	44.7	7%	0.065	21%	0.213	C	C	.	.	H	α-helix	trans	-106.9	5.6	-172.4	-63.5	-87.8	0	0	0	114.6	V364 Y464 Q466 Y470 K471 T473 D477	V364-H468 HydrophobicContact CG1-CB 3.78Å; V364-H468 HydrophobicContact CG2-CB 4.07Å; Y464-H468 WeakPolarHBondContact O-CB 3.47Å; Y464-H468 PolarHBondContact O-CD2 3.42Å; Y464-H468 PolarHBondContact O-N 3.02Å; Q466-H468 VanDerWaalsContact C-N 3.34Å; Q466-H468 PolarHBondContact O-N 3.02Å; H468-Y470 PolarHBondContact O-N 3.19Å; H468-K471 WeakPolarHBondContact O-CB 3.31Å; H468-K471 PolarHBondContact O-N 3.42Å; H468-T473 HydrophobicContact CB-CG2 3.53Å; H468-T473 VanDerWaalsContact ND1-CG2 3.3Å; H468-T473 WeakPolarHBondContact ND1-CG2 3.37Å; H468-D477 IonicContact CE1-OD1 2.69Å; H468-D477 PolarHBondContact CE1-OD1 3.22Å; H468-D477 IonicContact NE2-OD1 3.66Å
469	S	98.6	Very high	97.3	Very high	27 Å²	27	42 Å²	42	19%	0.189	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	131.5	175.8	-77.8	0	0	0	0	113.2	L465 K471	L465-S469 WeakPolarHBondContact O-CB 3.43Å; L465-S469 PolarHBondContact O-N 3.35Å; L465-S469 PolarHBondContact O-OG 3Å; S469-K471 PolarHBondContact O-N 3.36Å
470	Y	98.6	Very high	97.3	Very high	82 Å²	82	42.5 Å²	42.5	32%	0.322	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	20.6	-176.8	-50	-74.6	0	0	0	115.3	V240 P302 W322 L363 H468	V240-Y470 HydrophobicContact CB-CD1 4.2Å; V240-Y470 HydrophobicContact CB-CE1 3.74Å; V240-Y470 HydrophobicContact CG1-CE1 4.07Å; V240-Y470 HydrophobicContact CG2-CD1 4.38Å; V240-Y470 HydrophobicContact CG2-CE1 3.92Å; P302-Y470 VanDerWaalsContact CB-OH 3.29Å; P302-Y470 WeakPolarHBondContact CB-OH 3.48Å; W322-Y470 HydrophobicContact CH2-CD1 4.01Å; W322-Y470 AromaticContact CH2-CE1 3.73Å; W322-Y470 HydrophobicContact CH2-CE1 3.73Å; W322-Y470 HydrophobicContact CZ2-CE1 4.44Å; W322-Y470 HydrophobicContact CZ3-CD1 4.5Å; L363-Y470 HydrophobicContact CD1-CD1 4.01Å; L363-Y470 HydrophobicContact CD1-CD2 4.15Å; L363-Y470 HydrophobicContact CD1-CE1 3.75Å; L363-Y470 HydrophobicContact CD1-CE2 3.9Å; L363-Y470 HydrophobicContact CD1-CG 4.21Å; L363-Y470 WeakPolarHBondContact O-CA 3.42Å; L363-Y470 PolarHBondContact O-N 3.4Å; H468-Y470 PolarHBondContact O-N 3.19Å
471	K	98.5	Very high	97.3	Very high	122 Å²	122	42.5 Å²	42.5	53%	0.53	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	-164.5	177.5	-55.4	171.5	-171	162.1	0	109.8	K200 T365 H468 S469	K200-K471 WeakPolarHBondContact CE-O 3.27Å; K200-K471 PolarHBondContact NZ-O 3Å; T365-K471 PolarHBondContact N-O 3.45Å; H468-K471 WeakPolarHBondContact O-CB 3.31Å; H468-K471 PolarHBondContact O-N 3.42Å; S469-K471 PolarHBondContact O-N 3.36Å
472	N	98.8	Very high	97	Very high	28 Å²	28	42.8 Å²	42.8	15%	0.15	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	166.1	177.5	-58.4	68.9	0	0	0	111.6	P197 T365 M366 E367	P197-N472 PolarHBondContact O-ND2 3.08Å; T365-N472 CarbonylContact O-C 3.52Å; T365-N472 WeakPolarHBondContact O-CA 3.1Å; T365-N472 WeakPolarHBondContact O-CB 3.46Å; M366-N472 PolarHBondContact O-ND2 3.26Å; E367-N472 HydrophobicContact CB-CB 4.15Å
473	T	98.6	Very high	96.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	161.7	-174.8	43.6	0	0	0	0	113.3	V364 T365 M366 E367 Y464 H468 D477	V364-T473 HydrophobicContact CG1-CG2 3.64Å; T365-T473 PolarHBondContact O-N 3.36Å; T365-T473 PolarHBondContact O-OG1 3.25Å; M366-T473 CarbonylContact C-O 3.58Å; M366-T473 WeakPolarHBondContact CA-O 3.39Å; E367-T473 PolarHBondContact N-O 2.97Å; Y464-T473 HydrophobicContact CD2-CG2 4.47Å; Y464-T473 HydrophobicContact CE2-CG2 3.57Å; Y464-T473 WeakPolarHBondContact OH-CB 3.33Å; Y464-T473 PolarHBondContact OH-OG1 3.06Å; H468-T473 HydrophobicContact CB-CG2 3.53Å; H468-T473 VanDerWaalsContact ND1-CG2 3.3Å; H468-T473 WeakPolarHBondContact ND1-CG2 3.37Å; T473-D477 WeakPolarHBondContact CA-OD2 3.26Å; T473-D477 HydrophobicContact CG2-CB 3.89Å
474	K	98	Very high	96	Very high	89 Å²	89	42.6 Å²	42.6	39%	0.387	21%	0.212	S	C	.	.			trans	-117.7	170.4	167.8	-63.1	174.2	-174.5	176.3	0	110.1	E367 D371 E476 D477	E367-K474 HydrophobicContact CB-CG 4.33Å; E367-K474 WeakPolarHBondContact OE1-CE 3.13Å; E367-K474 IonicContact OE1-NZ 2.69Å; E367-K474 PolarHBondContact OE1-NZ 2.98Å; E367-K474 WeakPolarHBondContact OE2-CE 3.27Å; E367-K474 IonicContact OE2-NZ 2.78Å; E367-K474 PolarHBondContact OE2-NZ 3.44Å; D371-K474 WeakPolarHBondContact OD2-CA 3.4Å; K474-E476 PolarHBondContact O-N 2.8Å; K474-E476 VanDerWaalsContact O-N 3.09Å; K474-D477 PolarHBondContact N-OD2 3.43Å; K474-D477 WeakPolarHBondContact O-CB 3.47Å; K474-D477 PolarHBondContact O-N 2.9Å
475	N	95	Very high	95.2	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.059	22%	0.22	C	C	.	.	H	α-helix	trans	-44.9	-42.5	170.4	-82.8	15.4	0	0	0	113.7	D371 W373 S420 D477 L478 W479 T525	D371-N475 VanDerWaalsContact CG-OD1 3.23Å; D371-N475 PolarHBondContact OD1-OD1 3.12Å; D371-N475 PolarHBondContact OD2-N 3.36Å; D371-N475 PolarHBondContact OD2-OD1 3.25Å; W373-N475 VanDerWaalsContact CE2-OD1 3.32Å; W373-N475 WeakPolarHBondContact CZ2-OD1 3.39Å; W373-N475 PolarHBondContact NE1-OD1 2.93Å; S420-N475 WeakPolarHBondContact CB-ND2 3.28Å; S420-N475 VanDerWaalsContact OG-CG 3.24Å; S420-N475 PolarHBondContact OG-ND2 3.19Å; S420-N475 PolarHBondContact OG-OD1 2.92Å; S420-N475 VanDerWaalsContact OG-OD1 3.08Å; N475-D477 PolarHBondContact O-N 3.45Å; N475-L478 PolarHBondContact O-N 3.39Å; N475-W479 PolarHBondContact O-N 3.21Å; N475-T525 PolarHBondContact ND2-OG1 3.12Å
476	E	95.9	Very high	93.2	Very high	109 Å²	109	45.6 Å²	45.6	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-64.9	-37.2	-176.7	-172	161	-154.2	0	0	112.8	K474 L478 W479 D480 K518	K474-E476 PolarHBondContact O-N 2.8Å; K474-E476 VanDerWaalsContact O-N 3.09Å; E476-L478 VanDerWaalsContact C-N 3.3Å; E476-L478 PolarHBondContact O-N 3.03Å; E476-W479 PolarHBondContact O-N 2.87Å; E476-D480 WeakPolarHBondContact O-CB 3.24Å; E476-D480 VanDerWaalsContact O-CG 3.28Å; E476-D480 PolarHBondContact O-N 3.35Å; E476-K518 WeakPolarHBondContact OE1-CE 3.45Å; E476-K518 IonicContact OE1-NZ 3.41Å; E476-K518 PolarHBondContact OE1-NZ 3.21Å
477	D	97.9	Very high	91.1	Very high	43 Å²	43	44.1 Å²	44.1	23%	0.23	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-36	178.3	-69.4	-65.2	0	0	0	112.7	Y464 H468 T473 K474 N475 S481	Y464-D477 HydrophobicContact CE2-CB 4.47Å; H468-D477 IonicContact CE1-OD1 2.69Å; H468-D477 PolarHBondContact CE1-OD1 3.22Å; H468-D477 IonicContact NE2-OD1 3.66Å; T473-D477 WeakPolarHBondContact CA-OD2 3.26Å; T473-D477 HydrophobicContact CG2-CB 3.89Å; K474-D477 PolarHBondContact N-OD2 3.43Å; K474-D477 WeakPolarHBondContact O-CB 3.47Å; K474-D477 PolarHBondContact O-N 2.9Å; N475-D477 PolarHBondContact O-N 3.45Å; D477-S481 WeakPolarHBondContact O-CB 3.46Å; D477-S481 PolarHBondContact O-N 3.39Å; D477-S481 VanDerWaalsContact O-N 3.14Å; D477-S481 PolarHBondContact O-OG 3.42Å
478	L	97.6	Very high	88.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.4	-49.2	175.6	175.8	67.6	0	0	0	110.9	W373 L374 F378 Y464 N475 E476 D480 S481 M482	W373-L478 HydrophobicContact CH2-CD2 3.63Å; W373-L478 HydrophobicContact CZ2-CD2 4.28Å; W373-L478 HydrophobicContact CZ3-CD2 4.44Å; L374-L478 HydrophobicContact CD2-CB 4.32Å; L374-L478 HydrophobicContact CD2-CD2 3.8Å; F378-L478 HydrophobicContact CE2-CD1 4.15Å; F378-L478 HydrophobicContact CE2-CD2 3.58Å; F378-L478 HydrophobicContact CZ-CD1 3.68Å; F378-L478 HydrophobicContact CZ-CD2 3.74Å; F378-L478 HydrophobicContact CZ-CG 4.36Å; Y464-L478 HydrophobicContact CD1-CD1 4.33Å; Y464-L478 HydrophobicContact CD2-CB 4.24Å; Y464-L478 HydrophobicContact CD2-CD1 4.04Å; Y464-L478 HydrophobicContact CE1-CD1 4.48Å; Y464-L478 HydrophobicContact CE2-CB 3.92Å; Y464-L478 HydrophobicContact CE2-CD1 4.18Å; Y464-L478 HydrophobicContact CG-CD1 4.1Å; N475-L478 PolarHBondContact O-N 3.39Å; E476-L478 VanDerWaalsContact C-N 3.3Å; E476-L478 PolarHBondContact O-N 3.03Å; L478-D480 PolarHBondContact O-N 2.61Å; L478-S481 WeakPolarHBondContact O-CB 3.26Å; L478-S481 PolarHBondContact O-N 3.21Å; L478-M482 HydrophobicContact CD1-CE 4.07Å; L478-M482 HydrophobicContact CD1-CG 4.33Å; L478-M482 WeakPolarHBondContact O-CG 3.45Å; L478-M482 PolarHBondContact O-N 2.82Å
479	W	95.1	Very high	85.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-38.4	-179	-55.9	144.9	0	0	0	112.5	W373 L448 N475 E476 S481 M482 A483 V517 K518 M521 T525	W373-W479 AromaticContact CH2-CH2 3.5Å; W373-W479 HydrophobicContact CH2-CH2 3.5Å; W373-W479 VanDerWaalsContact CH2-CH2 3.5Å; W373-W479 AromaticContact CH2-CZ2 3.55Å; W373-W479 HydrophobicContact CH2-CZ2 3.55Å; W373-W479 HydrophobicContact CZ2-CH2 4.25Å; W373-W479 AromaticContact CZ2-CZ2 3.84Å; W373-W479 HydrophobicContact CZ2-CZ2 3.84Å; W373-W479 HydrophobicContact CZ3-CH2 4.39Å; L448-W479 HydrophobicContact CD2-CE3 4.38Å; L448-W479 HydrophobicContact CD2-CZ3 3.7Å; N475-W479 PolarHBondContact O-N 3.21Å; E476-W479 PolarHBondContact O-N 2.87Å; W479-S481 VanDerWaalsContact C-N 3.31Å; W479-S481 PolarHBondContact O-N 3.44Å; W479-M482 PolarHBondContact O-N 3.35Å; W479-A483 WeakPolarHBondContact O-CB 3.4Å; W479-A483 PolarHBondContact O-N 2.98Å; W479-V517 HydrophobicContact CE3-CG1 4.22Å; W479-K518 HydrophobicContact CB-CB 4.16Å; W479-K518 HydrophobicContact CB-CG 4.12Å; W479-M521 HydrophobicContact CD2-CB 3.67Å; W479-M521 HydrophobicContact CD2-CG 4.27Å; W479-M521 VanDerWaalsContact CE2-CB 3.43Å; W479-M521 HydrophobicContact CE3-CB 3.82Å; W479-M521 HydrophobicContact CE3-CG 3.9Å; W479-M521 HydrophobicContact CG-CB 4.42Å; W479-M521 HydrophobicContact CH2-CB 3.62Å; W479-M521 HydrophobicContact CH2-CE 3.59Å; W479-M521 HydrophobicContact CH2-CG 3.86Å; W479-M521 HydrophobicContact CZ2-CB 3.43Å; W479-M521 VanDerWaalsContact CZ2-CB 3.43Å; W479-M521 HydrophobicContact CZ2-CE 4.27Å; W479-M521 HydrophobicContact CZ2-CG 4.21Å; W479-M521 HydrophobicContact CZ3-CB 3.81Å; W479-M521 HydrophobicContact CZ3-CE 4.1Å; W479-M521 HydrophobicContact CZ3-CG 3.7Å; W479-T525 HydrophobicContact CZ2-CG2 3.89Å
480	D	94.3	Very high	82.6	Confident	64 Å²	64	55 Å²	55	34%	0.342	32%	0.316	S	S	.	.	H	α-helix	trans	-64.7	-36.5	174.1	-73.3	-1.5	0	0	0	111.6	E476 L478 S484 K518	E476-D480 WeakPolarHBondContact O-CB 3.24Å; E476-D480 VanDerWaalsContact O-CG 3.28Å; E476-D480 PolarHBondContact O-N 3.35Å; L478-D480 PolarHBondContact O-N 2.61Å; D480-S484 WeakPolarHBondContact O-CB 3.49Å; D480-S484 PolarHBondContact O-N 3.47Å; D480-K518 WeakPolarHBondContact OD1-CE 3.4Å; D480-K518 IonicContact OD1-NZ 2.74Å; D480-K518 PolarHBondContact OD1-NZ 2.9Å; D480-K518 IonicContact OD2-NZ 3.46Å
481	S	94.2	Very high	79.8	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.007	32%	0.32	C	S	.	.	H	α-helix	trans	-68.1	-46.5	175.3	-57.6	0	0	0	0	111.5	D477 L478 W479 S484	D477-S481 WeakPolarHBondContact O-CB 3.46Å; D477-S481 PolarHBondContact O-N 3.39Å; D477-S481 VanDerWaalsContact O-N 3.14Å; D477-S481 PolarHBondContact O-OG 3.42Å; L478-S481 WeakPolarHBondContact O-CB 3.26Å; L478-S481 PolarHBondContact O-N 3.21Å; W479-S481 VanDerWaalsContact C-N 3.31Å; W479-S481 PolarHBondContact O-N 3.44Å; S481-S484 PolarHBondContact O-N 2.92Å; S481-S484 PolarHBondContact O-OG 3.03Å
482	M	91.3	Very high	76.8	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.025	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-42.3	176.5	-70.1	-70.9	-174.6	0	0	112.7	F457 I461 L478 W479 S484 I485 V517	F457-M482 HydrophobicContact CD2-CE 3.71Å; F457-M482 HydrophobicContact CD2-SD 4.06Å; F457-M482 HydrophobicContact CE2-CE 3.59Å; F457-M482 HydrophobicContact CE2-SD 4.47Å; F457-M482 HydrophobicContact CG-CE 4.37Å; F457-M482 HydrophobicContact CZ-CE 4.15Å; I461-M482 HydrophobicContact CG1-CE 3.74Å; L478-M482 HydrophobicContact CD1-CE 4.07Å; L478-M482 HydrophobicContact CD1-CG 4.33Å; L478-M482 WeakPolarHBondContact O-CG 3.45Å; L478-M482 PolarHBondContact O-N 2.82Å; W479-M482 PolarHBondContact O-N 3.35Å; M482-S484 VanDerWaalsContact C-N 3.26Å; M482-S484 PolarHBondContact O-N 3.45Å; M482-I485 PolarHBondContact O-N 2.64Å; M482-V517 HydrophobicContact CB-CG1 4.04Å
483	A	88.3	Confident	73.7	Confident	38 Å²	38	59.9 Å²	59.9	31%	0.314	36%	0.36	S	S	.	.	H	α-helix	trans	-69.5	-21.5	179.3	0	0	0	0	0	113.4	W479 I485 V517	W479-A483 WeakPolarHBondContact O-CB 3.4Å; W479-A483 PolarHBondContact O-N 2.98Å; A483-I485 VanDerWaalsContact C-N 3.26Å; A483-I485 PolarHBondContact O-N 3.06Å; A483-V517 HydrophobicContact CB-CB 4.46Å
484	S	84.1	Confident	70.6	Confident	55 Å²	55	67.2 Å²	67.2	39%	0.385	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.5	178.1	73.5	0	0	0	0	114.5	Q463 D480 S481 M482	Q463-S484 PolarHBondContact NE2-OG 2.95Å; Q463-S484 PolarHBondContact OE1-OG 3.03Å; D480-S484 WeakPolarHBondContact O-CB 3.49Å; D480-S484 PolarHBondContact O-N 3.47Å; S481-S484 PolarHBondContact O-N 2.92Å; S481-S484 PolarHBondContact O-OG 3.03Å; M482-S484 VanDerWaalsContact C-N 3.26Å; M482-S484 PolarHBondContact O-N 3.45Å
485	I	81.6	Confident	67.8	Low	34 Å²	34	70.2 Å²	70.2	17%	0.174	42%	0.416	C	S	.	.			trans	-86.5	109.3	175.2	-54.4	-59.8	0	0	0	110	A456 Q463 M482 A483	A456-I485 HydrophobicContact CB-CG2 4.17Å; Q463-I485 VanDerWaalsContact OE1-CD1 3.24Å; M482-I485 PolarHBondContact O-N 2.64Å; A483-I485 VanDerWaalsContact C-N 3.26Å; A483-I485 PolarHBondContact O-N 3.06Å
486	C	56.6	Low	65.2	Low	31 Å²	31	73.4 Å²	73.4	21%	0.209	45%	0.452	C	S	.	.			trans	-78	131.7	162.5	-58.8	0	0	0	0	109.5	T488 C498	C486-T488 PolarHBondContact O-N 3.45Å; C486-C498 WeakPolarHBondContact CA-SG 3.5Å; C486-C498 HydrophobicContact CB-CB 4.01Å; C486-C498 WeakPolarHBondContact CB-SG 3.45Å; C486-C498 WeakPolarHBondContact SG-CB 3.43Å; C486-C498 CovalentContact SG-SG 2.05Å; C486-C498 PolarHBondContact SG-SG 3.44Å
487	P	53.1	Low	62.4	Low	77 Å²	77	75.8 Å²	75.8	50%	0.5	46%	0.461	S	S	.	.			trans	-53	136.4	174.3	-26.9	34.8	0	0	0	111.5	D489	P487-D489 VanDerWaalsContact C-N 3.29Å; P487-D489 PolarHBondContact O-N 3.27Å
488	T	41.8	Very low	59.8	Low	129 Å²	129	76 Å²	76	79%	0.791	47%	0.466	S	S	*	.	S	Bend	trans	-76.9	74.4	-169.9	49.5	0	0	0	0	113.3	C486	C486-T488 PolarHBondContact O-N 3.45Å
489	D	37.4	Very low	56.9	Low	150 Å²	150	80 Å²	80	80%	0.802	49%	0.493	S	S	*	.	S	Bend	trans	-124.8	66.4	157.2	-95.1	-29.3	0	0	0	109.4	P487 V491	P487-D489 VanDerWaalsContact C-N 3.29Å; P487-D489 PolarHBondContact O-N 3.27Å; D489-V491 PolarHBondContact O-N 3.3Å
490	G	37.7	Very low	54.1	Low	86 Å²	86	89.7 Å²	89.7	89%	0.887	53%	0.53	S	S	*	.	S	Bend	trans	76.4	14.6	158.4	0	0	0	0	0	119.1
491	V	39.4	Very low	51	Low	68 Å²	68	91.8 Å²	91.8	41%	0.412	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-99.9	126.5	-179.4	-175.4	0	0	0	0	112.2	D489	D489-V491 PolarHBondContact O-N 3.3Å
492	K	35.7	Very low	48.2	Very low	207 Å²	207	100.5 Å²	100.5	90%	0.9	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-85.1	125.7	163.1	-74.3	-173.7	177	-176.8	0	109.3
493	G	34.5	Very low	45.3	Very low	60 Å²	60	109.6 Å²	109.6	62%	0.619	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-72.5	139.8	175.2	0	0	0	0	0	112.9
494	M	33.1	Very low	42.5	Very low	154 Å²	154	113.1 Å²	113.1	76%	0.759	65%	0.654	S	S	*	*	S	Bend	trans	-130.7	135.7	157.2	-159.7	101.7	149.3	0	0	105.6	G496	M494-G496 PolarHBondContact O-N 2.99Å
495	D	39.1	Very low	40	Very low	152 Å²	152	115.1 Å²	115.1	81%	0.813	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.1	40.3	170.6	-50.4	-25.4	0	0	0	117.2	F497	D495-F497 PolarHBondContact O-N 2.96Å
496	G	41.5	Very low	38	Very low	79 Å²	79	119.2 Å²	119.2	81%	0.814	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.1	8	162.9	0	0	0	0	0	116.5	M494	M494-G496 PolarHBondContact O-N 2.99Å
497	F	37.4	Very low	36.7	Very low	158 Å²	158	123.2 Å²	123.2	69%	0.693	73%	0.728	S	S	*	*			trans	-118.8	112.7	-179.5	-144.4	-94.1	0	0	0	110	D495 S499	D495-F497 PolarHBondContact O-N 2.96Å; F497-S499 PolarHBondContact O-N 2.97Å
498	C	42.3	Very low	35.7	Very low	49 Å²	49	122.6 Å²	122.6	33%	0.331	73%	0.726	S	S	.	*			trans	-72.6	78.3	174.7	-59.9	0	0	0	0	110.4	C486	C486-C498 WeakPolarHBondContact CA-SG 3.5Å; C486-C498 HydrophobicContact CB-CB 4.01Å; C486-C498 WeakPolarHBondContact CB-SG 3.45Å; C486-C498 WeakPolarHBondContact SG-CB 3.43Å; C486-C498 CovalentContact SG-SG 2.05Å; C486-C498 PolarHBondContact SG-SG 3.44Å
499	S	35.9	Very low	35.1	Very low	82 Å²	82	126 Å²	126	57%	0.573	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-82.2	123.2	175.7	-175.8	0	0	0	0	110.9	F497	F497-S499 PolarHBondContact O-N 2.97Å
500	R	37.1	Very low	34.9	Very low	204 Å²	204	128 Å²	128	77%	0.77	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-80.8	121.6	173.2	-165.8	174.2	-172.6	157.3	4.3	108.8	Q502	R500-Q502 PolarHBondContact O-N 3.09Å
501	S	28.7	Very low	34.6	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-60.9	119.7	178.5	49.1	0	0	0	0	111	H503	S501-H503 PolarHBondContact O-N 2.93Å
502	Q	35.2	Very low	34.5	Very low	184 Å²	184	134 Å²	134	86%	0.86	73%	0.729	S	S	*	*			trans	-69.2	95.9	179.4	-73	-176.5	-19.5	0	0	111.2	R500	R500-Q502 PolarHBondContact O-N 3.09Å
503	H	31.1	Very low	34.8	Very low	196 Å²	196	132 Å²	132	91%	0.907	72%	0.723	S	S	*	*			trans	-157.9	82.5	154.8	-84.5	-39.2	0	0	0	112.2	S501	S501-H503 PolarHBondContact O-N 2.93Å
504	S	29.6	Very low	35.5	Very low	112 Å²	112	131.2 Å²	131.2	78%	0.783	71%	0.714	S	S	*	*	S	Bend	trans	-164.3	145	147.6	-166.6	0	0	0	0	111.3
505	S	31.4	Very low	37	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	70%	0.696	S	S	*	*			trans	-35.1	140.9	-174.4	51.4	0	0	0	0	119.3	S507	S505-S507 PolarHBondContact O-N 3.33Å
506	S	39.5	Very low	39.3	Very low	120 Å²	120	123.3 Å²	123.3	84%	0.839	68%	0.678	S	S	*	*	S	Bend	trans	-68.3	113.1	171.7	53.5	0	0	0	0	114.6
507	S	29.9	Very low	41.6	Very low	116 Å²	116	119.7 Å²	119.7	81%	0.811	64%	0.64	S	S	*	*			trans	-170.6	35.5	152.6	62.2	0	0	0	0	115	S505	S505-S507 PolarHBondContact O-N 3.33Å
508	S	30.8	Very low	44.3	Very low	64 Å²	64	114.8 Å²	114.8	45%	0.448	62%	0.618	S	S	.	*			trans	-152	122	177.2	49.7	0	0	0	0	112.6	W510	S508-W510 PolarHBondContact O-N 3Å; S508-W510 VanDerWaalsContact O-N 3.11Å
509	H	30.4	Very low	46.8	Very low	200 Å²	200	115.5 Å²	115.5	93%	0.926	62%	0.621	S	S	*	*	S	Bend	trans	-75.2	12.5	179.3	-77.6	-82.8	0	0	0	114.5
510	W	32.8	Very low	49.7	Very low	191 Å²	191	111.8 Å²	111.8	72%	0.723	59%	0.594	S	S	*	*			trans	-102.4	36.2	-169.4	-60.1	113	0	0	0	113.9	S508 Q512	S508-W510 PolarHBondContact O-N 3Å; S508-W510 VanDerWaalsContact O-N 3.11Å; W510-Q512 PolarHBondContact O-N 3.02Å
511	H	30.3	Very low	52.6	Low	140 Å²	140	102 Å²	102	65%	0.648	56%	0.558	S	S	*	*			trans	-91	97.3	175.1	-71.5	-33.9	0	0	0	110.5	E513	H511-E513 PolarHBondContact O-N 3.42Å
512	Q	38.2	Very low	55.9	Low	142 Å²	142	99.5 Å²	99.5	66%	0.664	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-64.9	125.1	166.2	-81.2	-178.3	-49.4	0	0	110.1	W510	W510-Q512 PolarHBondContact O-N 3.02Å
513	E	41.4	Very low	58.8	Low	165 Å²	165	91.6 Å²	91.6	77%	0.771	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-62.5	167	166.1	-61.8	173.3	133.1	0	0	111.1	H511	H511-E513 PolarHBondContact O-N 3.42Å
514	G	49.4	Very low	62	Low	42 Å²	42	82.2 Å²	82.2	43%	0.433	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-49.9	146.3	-173.4	0	0	0	0	0	115	D516	G514-D516 PolarHBondContact O-N 3.09Å
515	V	65.6	Low	65.3	Low	63 Å²	63	76.9 Å²	76.9	38%	0.382	42%	0.419	S	S	.	.			trans	-77.2	93.4	-172.2	-168.9	0	0	0	0	111	Y451 L452 V517	Y451-V515 HydrophobicContact CE1-CG1 3.6Å; L452-V515 HydrophobicContact CD2-CG1 3.77Å; V515-V517 VanDerWaalsContact C-N 3.26Å; V515-V517 HydrophobicContact CG1-CG2 3.76Å; V515-V517 PolarHBondContact O-N 3.05Å
516	D	86	Confident	68.5	Low	78 Å²	78	76.9 Å²	76.9	42%	0.417	41%	0.411	S	S	.	.			trans	-77.5	76.7	171.7	-171	-6.3	0	0	0	111.3	G514 K518 T519 M520	G514-D516 PolarHBondContact O-N 3.09Å; D516-K518 PolarHBondContact O-N 2.95Å; D516-K518 PolarHBondContact OD1-N 3.32Å; D516-T519 VanDerWaalsContact CG-CB 3.44Å; D516-T519 WeakPolarHBondContact OD1-CB 3.22Å; D516-T519 PolarHBondContact OD1-N 3.42Å; D516-T519 PolarHBondContact OD1-OG1 2.81Å; D516-T519 WeakPolarHBondContact OD2-CB 3.46Å; D516-T519 PolarHBondContact OD2-OG1 2.91Å; D516-M520 WeakPolarHBondContact O-CB 3.32Å; D516-M520 PolarHBondContact O-N 2.96Å
517	V	91.3	Very high	71.1	Confident	3 Å²	3	72.8 Å²	72.8	2%	0.018	38%	0.379	C	S	.	.	H	α-helix	trans	-57.8	-39.7	175.2	179.9	0	0	0	0	110.9	L448 L452 W479 M482 A483 V515 M520 M521	L448-V517 HydrophobicContact CD1-CG1 4.03Å; L448-V517 HydrophobicContact CD2-CG1 4.23Å; L452-V517 HydrophobicContact CD1-CG2 4.32Å; L452-V517 HydrophobicContact CD2-CG2 3.99Å; W479-V517 HydrophobicContact CE3-CG1 4.22Å; M482-V517 HydrophobicContact CB-CG1 4.04Å; A483-V517 HydrophobicContact CB-CB 4.46Å; V515-V517 VanDerWaalsContact C-N 3.26Å; V515-V517 HydrophobicContact CG1-CG2 3.76Å; V515-V517 PolarHBondContact O-N 3.05Å; V517-M520 PolarHBondContact O-N 2.8Å; V517-M521 HydrophobicContact CG1-CG 3.94Å; V517-M521 WeakPolarHBondContact O-CB 3.48Å; V517-M521 WeakPolarHBondContact O-CG 3.2Å; V517-M521 PolarHBondContact O-N 3.29Å
518	K	93.2	Very high	74.2	Confident	54 Å²	54	70 Å²	70	24%	0.235	35%	0.35	C	S	.	.	H	α-helix	trans	-66.4	-52.3	-172.9	-172.9	169.7	-174	160.1	0	111.8	E476 W479 D480 D516 M520 M521 N522	E476-K518 WeakPolarHBondContact OE1-CE 3.45Å; E476-K518 IonicContact OE1-NZ 3.41Å; E476-K518 PolarHBondContact OE1-NZ 3.21Å; W479-K518 HydrophobicContact CB-CB 4.16Å; W479-K518 HydrophobicContact CB-CG 4.12Å; D480-K518 WeakPolarHBondContact OD1-CE 3.4Å; D480-K518 IonicContact OD1-NZ 2.74Å; D480-K518 PolarHBondContact OD1-NZ 2.9Å; D480-K518 IonicContact OD2-NZ 3.46Å; D516-K518 PolarHBondContact O-N 2.95Å; D516-K518 PolarHBondContact OD1-N 3.32Å; K518-M520 VanDerWaalsContact C-N 3.31Å; K518-M520 PolarHBondContact O-N 3.07Å; K518-M521 PolarHBondContact O-N 3.26Å; K518-N522 VanDerWaalsContact O-CB 3.28Å; K518-N522 WeakPolarHBondContact O-CB 3.44Å; K518-N522 PolarHBondContact O-N 2.89Å; K518-N522 PolarHBondContact O-ND2 2.95Å
519	T	95.1	Very high	77.3	Confident	65 Å²	65	67 Å²	67	40%	0.399	33%	0.329	S	S	.	.	H	α-helix	trans	-63.5	-39.9	175.8	-57.9	0	0	0	0	110.9	D516 T523	D516-T519 VanDerWaalsContact CG-CB 3.44Å; D516-T519 WeakPolarHBondContact OD1-CB 3.22Å; D516-T519 PolarHBondContact OD1-N 3.42Å; D516-T519 PolarHBondContact OD1-OG1 2.81Å; D516-T519 WeakPolarHBondContact OD2-CB 3.46Å; D516-T519 PolarHBondContact OD2-OG1 2.91Å; T519-T523 PolarHBondContact O-N 3.14Å
520	M	96.4	Very high	80.5	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-56.3	176	168.8	170.7	161.2	0	0	112	L448 Y451 D516 V517 K518 N522 T523 H564 P566 L581	L448-M520 HydrophobicContact CD1-CE 4.47Å; Y451-M520 HydrophobicContact CD1-CE 4.06Å; Y451-M520 HydrophobicContact CD1-SD 3.94Å; Y451-M520 HydrophobicContact CE1-SD 3.87Å; Y451-M520 HydrophobicContact CG-CE 4.35Å; D516-M520 WeakPolarHBondContact O-CB 3.32Å; D516-M520 PolarHBondContact O-N 2.96Å; V517-M520 PolarHBondContact O-N 2.8Å; K518-M520 VanDerWaalsContact C-N 3.31Å; K518-M520 PolarHBondContact O-N 3.07Å; M520-N522 PolarHBondContact O-N 2.98Å; M520-T523 WeakPolarHBondContact O-CB 3.1Å; M520-T523 PolarHBondContact O-N 3.3Å; M520-T523 PolarHBondContact O-OG1 2.88Å; M520-H564 HydrophobicContact CB-CB 3.8Å; M520-H564 HydrophobicContact CG-CB 3.8Å; M520-P566 HydrophobicContact CE-CB 4.32Å; M520-P566 HydrophobicContact CE-CG 3.73Å; M520-L581 HydrophobicContact SD-CD1 4.32Å
521	M	97.7	Very high	83.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-74.2	-26.5	-172.1	-63.5	-54.4	-65.1	0	0	113.4	I444 L448 W479 V517 K518 T523 W524 T525	I444-M521 HydrophobicContact CB-CE 4.11Å; I444-M521 HydrophobicContact CD1-CE 4.23Å; I444-M521 HydrophobicContact CG1-CE 4.23Å; L448-M521 HydrophobicContact CB-CE 4.15Å; L448-M521 HydrophobicContact CB-SD 4.06Å; L448-M521 HydrophobicContact CD1-CG 4.13Å; L448-M521 HydrophobicContact CD1-SD 3.91Å; L448-M521 HydrophobicContact CD2-CE 4.19Å; L448-M521 HydrophobicContact CD2-CG 3.99Å; L448-M521 HydrophobicContact CD2-SD 4.11Å; L448-M521 HydrophobicContact CG-SD 4.24Å; W479-M521 HydrophobicContact CD2-CB 3.67Å; W479-M521 HydrophobicContact CD2-CG 4.27Å; W479-M521 VanDerWaalsContact CE2-CB 3.43Å; W479-M521 HydrophobicContact CE3-CB 3.82Å; W479-M521 HydrophobicContact CE3-CG 3.9Å; W479-M521 HydrophobicContact CG-CB 4.42Å; W479-M521 HydrophobicContact CH2-CB 3.62Å; W479-M521 HydrophobicContact CH2-CE 3.59Å; W479-M521 HydrophobicContact CH2-CG 3.86Å; W479-M521 HydrophobicContact CZ2-CB 3.43Å; W479-M521 VanDerWaalsContact CZ2-CB 3.43Å; W479-M521 HydrophobicContact CZ2-CE 4.27Å; W479-M521 HydrophobicContact CZ2-CG 4.21Å; W479-M521 HydrophobicContact CZ3-CB 3.81Å; W479-M521 HydrophobicContact CZ3-CE 4.1Å; W479-M521 HydrophobicContact CZ3-CG 3.7Å; V517-M521 HydrophobicContact CG1-CG 3.94Å; V517-M521 WeakPolarHBondContact O-CB 3.48Å; V517-M521 WeakPolarHBondContact O-CG 3.2Å; V517-M521 PolarHBondContact O-N 3.29Å; K518-M521 PolarHBondContact O-N 3.26Å; M521-T523 PolarHBondContact O-N 3.48Å; M521-W524 HydrophobicContact CE-CB 4.45Å; M521-W524 PolarHBondContact O-N 3.02Å; M521-T525 PolarHBondContact O-N 3.27Å; M521-T525 PolarHBondContact O-OG1 3.28Å
522	N	97.7	Very high	86.8	Confident	54 Å²	54	42.4 Å²	42.4	29%	0.289	22%	0.223	S	C	.	.	H	α-helix	trans	-58.5	-32.7	167.3	-76.4	-12.7	0	0	0	112.3	K518 M520 W524 L526	K518-N522 VanDerWaalsContact O-CB 3.28Å; K518-N522 WeakPolarHBondContact O-CB 3.44Å; K518-N522 PolarHBondContact O-N 2.89Å; K518-N522 PolarHBondContact O-ND2 2.95Å; M520-N522 PolarHBondContact O-N 2.98Å; N522-W524 PolarHBondContact O-N 2.91Å; N522-L526 HydrophobicContact CB-CD1 4.12Å; N522-L526 VanDerWaalsContact O-CB 3.31Å; N522-L526 WeakPolarHBondContact O-CB 3.31Å; N522-L526 PolarHBondContact O-N 2.68Å; N522-L526 VanDerWaalsContact O-N 3.08Å
523	T	97.8	Very high	89.6	Confident	18 Å²	18	35.6 Å²	35.6	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-29.1	173.4	67.7	0	0	0	0	112.7	T519 M520 M521 Q527 L562 W563 H564	T519-T523 PolarHBondContact O-N 3.14Å; M520-T523 WeakPolarHBondContact O-CB 3.1Å; M520-T523 PolarHBondContact O-N 3.3Å; M520-T523 PolarHBondContact O-OG1 2.88Å; M521-T523 PolarHBondContact O-N 3.48Å; T523-Q527 WeakPolarHBondContact O-CB 3.5Å; T523-Q527 PolarHBondContact O-NE2 3.5Å; T523-L562 WeakPolarHBondContact CG2-O 3.14Å; T523-W563 PolarHBondContact O-NE1 2.77Å; T523-W563 VanDerWaalsContact O-NE1 3.08Å; T523-H564 PolarHBondContact OG1-N 2.96Å
524	W	98.4	Very high	92.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-88.2	-27.1	-177.2	-66.8	107.7	0	0	0	114.2	I444 M447 M521 N522 P531 W563 H564 V565 Y607	I444-W524 HydrophobicContact CD1-CB 4.25Å; I444-W524 HydrophobicContact CG2-CB 4.26Å; I444-W524 HydrophobicContact CG2-CE3 4.35Å; M447-W524 HydrophobicContact CE-CD2 3.54Å; M447-W524 HydrophobicContact CE-CE3 3.99Å; M447-W524 HydrophobicContact CE-CG 3.96Å; M447-W524 HydrophobicContact CE-CH2 4.09Å; M447-W524 HydrophobicContact CE-CZ2 3.66Å; M447-W524 HydrophobicContact CE-CZ3 4.25Å; M447-W524 HydrophobicContact SD-CH2 4.36Å; M447-W524 HydrophobicContact SD-CZ2 4.07Å; M521-W524 HydrophobicContact CE-CB 4.45Å; M521-W524 PolarHBondContact O-N 3.02Å; N522-W524 PolarHBondContact O-N 2.91Å; W524-P531 HydrophobicContact CH2-CG 3.74Å; W524-P531 HydrophobicContact CZ3-CG 4.33Å; W524-W563 AromaticContact CD2-CD1 3.7Å; W524-W563 AromaticContact CE2-CD1 3.94Å; W524-W563 AromaticContact CE3-CD1 3.64Å; W524-W563 HydrophobicContact CE3-CG 4.5Å; W524-W563 HydrophobicContact CH2-CB 4.27Å; W524-W563 HydrophobicContact CH2-CG 4.25Å; W524-W563 HydrophobicContact CZ2-CB 3.92Å; W524-W563 HydrophobicContact CZ2-CG 4.26Å; W524-W563 AromaticContact CZ3-CD1 3.87Å; W524-W563 HydrophobicContact CZ3-CG 4.35Å; W524-H564 PolarHBondContact NE1-O 2.9Å; W524-V565 HydrophobicContact CH2-CG1 4.45Å; W524-V565 HydrophobicContact CH2-CG2 4.4Å; W524-V565 HydrophobicContact CZ2-CB 4.34Å; W524-V565 HydrophobicContact CZ2-CG1 4.2Å; W524-V565 HydrophobicContact CZ2-CG2 4.02Å; W524-Y607 HydrophobicContact CE3-CD1 4.49Å; W524-Y607 WeakPolarHBondContact CH2-O 3.42Å; W524-Y607 HydrophobicContact CZ3-CD1 4.17Å; W524-Y607 VanDerWaalsContact CZ3-O 3.23Å; W524-Y607 WeakPolarHBondContact CZ3-O 3.24Å
525	T	98.1	Very high	94.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-100.5	-27.8	179.9	57.3	0	0	0	0	115.2	W373 P418 V419 S420 I444 N475 W479 M521	W373-T525 HydrophobicContact CH2-CG2 4.19Å; W373-T525 HydrophobicContact CZ2-CG2 3.84Å; P418-T525 VanDerWaalsContact CB-O 3.26Å; P418-T525 WeakPolarHBondContact CB-O 3.21Å; V419-T525 HydrophobicContact CB-CG2 4.3Å; V419-T525 PolarHBondContact N-O 2.74Å; V419-T525 VanDerWaalsContact N-O 3.09Å; S420-T525 PolarHBondContact N-O 2.98Å; I444-T525 HydrophobicContact CD1-CG2 3.64Å; N475-T525 PolarHBondContact ND2-OG1 3.12Å; W479-T525 HydrophobicContact CZ2-CG2 3.89Å; M521-T525 PolarHBondContact O-N 3.27Å; M521-T525 PolarHBondContact O-OG1 3.28Å
526	L	97.5	Very high	96.2	Very high	96 Å²	96	24.3 Å²	24.3	50%	0.503	13%	0.126	S	C	.	.	S	Bend	trans	-100.1	-7.1	-176.7	-52.9	179.6	0	0	0	113.7	N522	N522-L526 HydrophobicContact CB-CD1 4.12Å; N522-L526 VanDerWaalsContact O-CB 3.31Å; N522-L526 WeakPolarHBondContact O-CB 3.31Å; N522-L526 PolarHBondContact O-N 2.68Å; N522-L526 VanDerWaalsContact O-N 3.08Å
527	Q	95.9	Very high	96.7	Very high	35 Å²	35	23.1 Å²	23.1	16%	0.164	12%	0.121	C	C	.	.	S	Bend	trans	-111.6	138.2	168.4	-61.3	172.7	85.5	0	0	109.4	T523 Y561 L562 W563	T523-Q527 WeakPolarHBondContact O-CB 3.5Å; T523-Q527 PolarHBondContact O-NE2 3.5Å; Q527-Y561 HydrophobicContact CB-CD2 4.38Å; Q527-Y561 HydrophobicContact CB-CE2 4.38Å; Q527-Y561 VanDerWaalsContact OE1-CA 3.25Å; Q527-L562 PolarHBondContact NE2-O 3.48Å; Q527-W563 HydrophobicContact CB-CZ2 4.42Å
528	R	94.8	Very high	96.8	Very high	57 Å²	57	28.7 Å²	28.7	22%	0.215	14%	0.142	C	C	.	.			trans	-80.8	165.4	170.4	65.4	-177.2	177	155.9	12.9	111.2	N414 S416 H417 P418 Y561	N414-R528 PolarHBondContact O-NH1 2.87Å; N414-R528 PolarHBondContact OD1-NH2 3.03Å; S416-R528 WeakPolarHBondContact O-CD 3.33Å; S416-R528 PolarHBondContact O-NH1 3.3Å; H417-R528 VanDerWaalsContact C-CB 3.44Å; H417-R528 WeakPolarHBondContact O-CB 3.35Å; P418-R528 HydrophobicContact CG-CB 4.35Å; R528-Y561 HydrophobicContact CG-CE2 3.94Å; R528-Y561 WeakPolarHBondContact O-CE2 3.43Å
529	G	95.6	Very high	96.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	70.5	-171.9	-177.1	0	0	0	0	0	112.8	D411 K440	D411-G529 VanDerWaalsContact CG-CA 3.41Å; D411-G529 WeakPolarHBondContact O-CA 3.44Å; D411-G529 WeakPolarHBondContact OD1-CA 3.34Å; D411-G529 PolarHBondContact OD1-N 3.02Å; D411-G529 WeakPolarHBondContact OD2-CA 3.33Å; D411-G529 PolarHBondContact OD2-N 2.71Å; K440-G529 PolarHBondContact NZ-O 3.49Å
530	F	97.6	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.			trans	-144.1	159	-178.7	54.3	-88.2	0	0	0	111	M408 D411 A412 Y549 Y607 I609	M408-F530 HydrophobicContact CB-CE1 3.74Å; M408-F530 HydrophobicContact CB-CZ 3.77Å; M408-F530 HydrophobicContact CE-CD2 4.11Å; M408-F530 HydrophobicContact CE-CE2 4.3Å; M408-F530 HydrophobicContact CE-CG 4.33Å; M408-F530 HydrophobicContact CG-CD1 3.94Å; M408-F530 HydrophobicContact CG-CD2 4.48Å; M408-F530 HydrophobicContact CG-CE1 3.55Å; M408-F530 HydrophobicContact CG-CE2 4.12Å; M408-F530 HydrophobicContact CG-CG 4.39Å; M408-F530 HydrophobicContact CG-CZ 3.63Å; M408-F530 HydrophobicContact SD-CE2 4.21Å; M408-F530 HydrophobicContact SD-CZ 4.22Å; D411-F530 HydrophobicContact CB-CD1 4.27Å; D411-F530 HydrophobicContact CB-CE1 4.37Å; A412-F530 HydrophobicContact CB-CE1 3.94Å; A412-F530 HydrophobicContact CB-CZ 4.02Å; F530-Y549 HydrophobicContact CD2-CD1 4.43Å; F530-Y549 HydrophobicContact CE1-CD1 4.23Å; F530-Y549 AromaticContact CE2-CD1 3.47Å; F530-Y549 HydrophobicContact CE2-CD1 3.47Å; F530-Y549 VanDerWaalsContact CE2-CD1 3.47Å; F530-Y549 HydrophobicContact CE2-CE1 4.23Å; F530-Y549 AromaticContact CE2-CG 3.98Å; F530-Y549 HydrophobicContact CE2-CG 3.98Å; F530-Y549 AromaticContact CZ-CD1 3.36Å; F530-Y549 HydrophobicContact CZ-CD1 3.36Å; F530-Y549 AromaticContact CZ-CE1 3.88Å; F530-Y549 HydrophobicContact CZ-CE1 3.88Å; F530-Y549 HydrophobicContact CZ-CG 4.3Å; F530-Y549 PolarHBondContact O-N 3.28Å; F530-Y607 HydrophobicContact CB-CD1 3.83Å; F530-Y607 HydrophobicContact CB-CE1 3.77Å; F530-Y607 HydrophobicContact CD1-CE1 4.03Å; F530-Y607 HydrophobicContact CG-CE1 4.2Å; F530-I609 HydrophobicContact CD2-CG1 4.41Å; F530-I609 HydrophobicContact CD2-CG2 4.47Å; F530-I609 HydrophobicContact CE2-CB 4.46Å; F530-I609 HydrophobicContact CE2-CD1 4.18Å; F530-I609 HydrophobicContact CE2-CG1 3.96Å; F530-I609 HydrophobicContact CE2-CG2 3.82Å
531	P	97.3	Very high	96.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	140	177.9	27.5	-28.6	0	0	0	112.5	W524 I533 Q546 E547 W563 V565 Y608 I609	W524-P531 HydrophobicContact CH2-CG 3.74Å; W524-P531 HydrophobicContact CZ3-CG 4.33Å; P531-I533 HydrophobicContact CB-CD1 4.01Å; P531-I533 HydrophobicContact CG-CD1 4.32Å; P531-Q546 HydrophobicContact CB-CB 4.33Å; P531-E547 CarbonylContact C-O 3.55Å; P531-E547 VanDerWaalsContact CA-O 3.29Å; P531-E547 WeakPolarHBondContact CA-O 3.41Å; P531-W563 HydrophobicContact CB-CD2 4.3Å; P531-W563 HydrophobicContact CB-CE3 3.68Å; P531-W563 HydrophobicContact CB-CZ3 3.95Å; P531-W563 HydrophobicContact CG-CB 4.34Å; P531-W563 HydrophobicContact CG-CD2 4.07Å; P531-W563 HydrophobicContact CG-CE3 3.96Å; P531-W563 HydrophobicContact CG-CG 4.26Å; P531-V565 HydrophobicContact CG-CG2 3.86Å; P531-Y608 WeakPolarHBondContact O-CB 3.29Å; P531-I609 PolarHBondContact O-N 2.9Å
532	L	97.1	Very high	96.9	Very high	15 Å²	15	33.2 Å²	33.2	8%	0.079	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.4	152	168.4	60.8	0	0	0	108.4	Q546 E547 Y549 I609 H611 L646	L532-Q546 WeakPolarHBondContact O-CA 3.36Å; L532-E547 HydrophobicContact CB-CG 4.04Å; L532-E547 HydrophobicContact CD2-CG 4.19Å; L532-E547 HydrophobicContact CG-CG 4.26Å; L532-E547 PolarHBondContact N-O 3.47Å; L532-E547 PolarHBondContact O-N 3.2Å; L532-Y549 HydrophobicContact CB-CD2 4.44Å; L532-I609 HydrophobicContact CB-CD1 4.46Å; L532-I609 HydrophobicContact CB-CG1 4.17Å; L532-I609 HydrophobicContact CD1-CD1 3.98Å; L532-I609 HydrophobicContact CD1-CG1 3.78Å; L532-H611 HydrophobicContact CD1-CB 3.77Å; L532-L646 HydrophobicContact CD1-CD2 3.97Å; L532-L646 HydrophobicContact CD2-CD2 4.12Å
533	I	98.1	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.5	173.6	-50.7	-59.1	0	0	0	109.1	P531 I535 K545 Q546 V565 L567 L582 Y608 I609 V610 H611	P531-I533 HydrophobicContact CB-CD1 4.01Å; P531-I533 HydrophobicContact CG-CD1 4.32Å; I533-I535 HydrophobicContact CG2-CD1 3.75Å; I533-I535 HydrophobicContact CG2-CG1 4.41Å; I533-K545 CarbonylContact C-O 3.51Å; I533-K545 WeakPolarHBondContact CA-O 3.45Å; I533-Q546 HydrophobicContact CD1-CB 3.72Å; I533-V565 HydrophobicContact CD1-CG1 4.34Å; I533-V565 HydrophobicContact CD1-CG2 4.27Å; I533-L567 HydrophobicContact CD1-CD2 4.26Å; I533-L567 HydrophobicContact CG1-CD2 3.93Å; I533-L567 HydrophobicContact CG2-CD1 4.38Å; I533-L567 HydrophobicContact CG2-CD2 4.14Å; I533-L582 HydrophobicContact CD1-CD2 4.16Å; I533-Y608 HydrophobicContact CB-CD2 4.4Å; I533-Y608 HydrophobicContact CG1-CD2 3.54Å; I533-Y608 HydrophobicContact CG1-CE2 4.2Å; I533-Y608 HydrophobicContact CG1-CG 4.09Å; I533-I609 PolarHBondContact N-O 3.37Å; I533-V610 CarbonylContact O-C 3.51Å; I533-V610 VanDerWaalsContact O-CA 3.29Å; I533-V610 WeakPolarHBondContact O-CA 3.33Å; I533-H611 PolarHBondContact O-N 2.82Å
534	T	98.2	Very high	97	Very high	8 Å²	8	33.7 Å²	33.7	5%	0.049	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.1	173.9	-64.1	0	0	0	0	110	M544 K545 H611 E613	T534-M544 WeakPolarHBondContact O-CA 3.49Å; T534-K545 PolarHBondContact N-O 3.06Å; T534-K545 PolarHBondContact O-N 2.91Å; T534-H611 CarbonylContact C-O 3.47Å; T534-H611 WeakPolarHBondContact CA-O 3.48Å; T534-E613 HydrophobicContact CG2-CG 3.68Å; T534-E613 WeakPolarHBondContact CG2-OE1 3.43Å
535	I	98.1	Very high	96.9	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.9	-177.4	-57.6	-60.2	0	0	0	109.9	I533 V537 V542 H543 M544 F600 V610 H611 Y612 E613	I533-I535 HydrophobicContact CG2-CD1 3.75Å; I533-I535 HydrophobicContact CG2-CG1 4.41Å; I535-V537 HydrophobicContact CG2-CG2 4.17Å; I535-V542 HydrophobicContact CG2-CG1 3.89Å; I535-H543 WeakPolarHBondContact CA-O 3.38Å; I535-M544 HydrophobicContact CD1-CB 4.38Å; I535-M544 HydrophobicContact CD1-CG 3.7Å; I535-F600 HydrophobicContact CD1-CD1 4.22Å; I535-F600 HydrophobicContact CD1-CD2 3.8Å; I535-F600 HydrophobicContact CD1-CE1 4.03Å; I535-F600 HydrophobicContact CD1-CE2 3.58Å; I535-F600 HydrophobicContact CD1-CG 4.11Å; I535-F600 HydrophobicContact CD1-CZ 3.71Å; I535-F600 HydrophobicContact CG1-CD2 3.76Å; I535-F600 HydrophobicContact CG1-CE2 3.89Å; I535-F600 HydrophobicContact CG1-CG 4.27Å; I535-F600 HydrophobicContact CG2-CD2 4.27Å; I535-F600 HydrophobicContact CG2-CE2 3.83Å; I535-V610 HydrophobicContact CG1-CG1 3.7Å; I535-H611 PolarHBondContact N-O 2.76Å; I535-Y612 HydrophobicContact CB-CD1 4.01Å; I535-Y612 HydrophobicContact CB-CE1 4.41Å; I535-Y612 HydrophobicContact CG1-CD1 4.44Å; I535-Y612 HydrophobicContact CG1-CE1 4.39Å; I535-Y612 HydrophobicContact CG2-CD1 4.17Å; I535-E613 PolarHBondContact O-N 2.72Å
536	T	97.6	Very high	96.9	Very high	22 Å²	22	37.9 Å²	37.9	14%	0.135	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.8	178.8	-38.9	0	0	0	0	109.3	H543 E613	T536-H543 PolarHBondContact N-O 3.19Å; T536-H543 PolarHBondContact O-N 3.35Å; T536-E613 WeakPolarHBondContact CB-OE2 3.29Å; T536-E613 HydrophobicContact CG2-CB 4.3Å; T536-E613 VanDerWaalsContact CG2-OE2 3.28Å; T536-E613 WeakPolarHBondContact CG2-OE2 3.48Å; T536-E613 PolarHBondContact OG1-OE2 3.22Å
537	V	96.3	Very high	96.7	Very high	52 Å²	52	36 Å²	36	32%	0.315	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.1	-174.5	-173.7	0	0	0	0	110.8	I535 G539 V542 I598	I535-V537 HydrophobicContact CG2-CG2 4.17Å; V537-G539 WeakPolarHBondContact CG1-O 3.28Å; V537-V542 HydrophobicContact CG1-CG2 4.35Å; V537-V542 HydrophobicContact CG2-CG2 4.34Å; V537-I598 HydrophobicContact CG2-CG2 3.91Å
538	R	95	Very high	96.6	Very high	121 Å²	121	34.9 Å²	34.9	46%	0.457	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	85.4	-179.7	-64.7	-67.9	175.5	-95.7	4.9	109	R540 N541 D614	R538-R540 PolarHBondContact O-N 3.3Å; R538-N541 HydrophobicContact CB-CB 4.45Å; R538-N541 PolarHBondContact N-O 3.08Å; R538-N541 PolarHBondContact O-N 3.43Å; R538-D614 IonicContact CZ-OD2 2.89Å; R538-D614 IonicContact NH1-OD2 2.66Å; R538-D614 PolarHBondContact NH1-OD2 2.88Å; R538-D614 IonicContact NH2-OD1 3.35Å; R538-D614 PolarHBondContact NH2-OD1 2.99Å; R538-D614 IonicContact NH2-OD2 2.75Å; R538-D614 PolarHBondContact NH2-OD2 3.01Å
539	G	94.4	Very high	96.5	Very high	35 Å²	35	33.2 Å²	33.2	36%	0.361	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-116.1	-169	0	0	0	0	0	110.1	V537 E594	V537-G539 WeakPolarHBondContact CG1-O 3.28Å; G539-E594 WeakPolarHBondContact CA-OE1 3.35Å
540	R	95.5	Very high	96.1	Very high	116 Å²	116	34.5 Å²	34.5	44%	0.438	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-12.4	175	-58.5	-168.3	-58.6	150.2	7.3	115	R538 I590 L591 P592 E594	R538-R540 PolarHBondContact O-N 3.3Å; R540-I590 HydrophobicContact CB-CG2 4.35Å; R540-L591 HydrophobicContact CB-CB 4.4Å; R540-L591 WeakPolarHBondContact CD-O 3.45Å; R540-L591 PolarHBondContact O-N 3.46Å; R540-P592 WeakPolarHBondContact CD-O 3.28Å; R540-P592 PolarHBondContact NH1-O 2.93Å; R540-E594 HydrophobicContact CG-CG 3.47Å; R540-E594 VanDerWaalsContact CG-CG 3.47Å
541	N	97	Very high	95.4	Very high	66 Å²	66	38.9 Å²	38.9	35%	0.353	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.6	-178.3	-63.4	-7.8	0	0	0	109.5	R538 V588	R538-N541 HydrophobicContact CB-CB 4.45Å; R538-N541 PolarHBondContact N-O 3.08Å; R538-N541 PolarHBondContact O-N 3.43Å; N541-V588 HydrophobicContact CB-CG2 4.28Å
542	V	97.9	Very high	94.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	103.9	177.4	178.9	0	0	0	0	107.5	I535 V537 V588 L589 L591 I598 F600	I535-V542 HydrophobicContact CG2-CG1 3.89Å; V537-V542 HydrophobicContact CG1-CG2 4.35Å; V537-V542 HydrophobicContact CG2-CG2 4.34Å; V542-V588 WeakPolarHBondContact O-CA 3.49Å; V542-L589 HydrophobicContact CB-CD1 3.69Å; V542-L589 HydrophobicContact CB-CG 3.91Å; V542-L589 HydrophobicContact CG1-CD1 4.39Å; V542-L589 HydrophobicContact CG1-CG 4.36Å; V542-L589 HydrophobicContact CG2-CD1 3.96Å; V542-L589 PolarHBondContact N-O 3.44Å; V542-L589 PolarHBondContact O-N 2.87Å; V542-L591 HydrophobicContact CG2-CD1 3.68Å; V542-L591 HydrophobicContact CG2-CD2 4.47Å; V542-L591 HydrophobicContact CG2-CG 3.82Å; V542-I598 HydrophobicContact CG1-CD1 4.27Å; V542-I598 HydrophobicContact CG2-CD1 4.15Å; V542-F600 HydrophobicContact CG1-CE2 3.96Å; V542-F600 HydrophobicContact CG1-CZ 3.89Å
543	H	97.9	Very high	92.5	Very high	78 Å²	78	44.2 Å²	44.2	36%	0.361	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138.1	176.8	-61.6	-90.1	0	0	0	109.5	I535 T536	I535-H543 WeakPolarHBondContact CA-O 3.38Å; T536-H543 PolarHBondContact N-O 3.19Å; T536-H543 PolarHBondContact O-N 3.35Å
544	M	98	Very high	90.2	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135	-179.8	-64.7	159.6	-73.1	0	0	108.6	T534 I535 L567 F580 L582 T586 D587 L589 F600	T534-M544 WeakPolarHBondContact O-CA 3.49Å; I535-M544 HydrophobicContact CD1-CB 4.38Å; I535-M544 HydrophobicContact CD1-CG 3.7Å; M544-L567 HydrophobicContact CG-CD1 4.19Å; M544-L567 HydrophobicContact SD-CD1 3.55Å; M544-L567 VanDerWaalsContact SD-CD1 3.55Å; M544-F580 HydrophobicContact CE-CD1 3.93Å; M544-F580 HydrophobicContact CE-CD2 4.45Å; M544-F580 HydrophobicContact CE-CE1 3.59Å; M544-F580 HydrophobicContact CE-CE2 4.14Å; M544-F580 HydrophobicContact CE-CG 4.35Å; M544-F580 HydrophobicContact CE-CZ 3.71Å; M544-F580 HydrophobicContact SD-CD1 3.81Å; M544-F580 HydrophobicContact SD-CE1 4Å; M544-F580 HydrophobicContact SD-CG 4.31Å; M544-L582 HydrophobicContact CB-CD1 4.47Å; M544-L582 HydrophobicContact CB-CD2 4.47Å; M544-T586 CarbonylContact O-C 3.58Å; M544-T586 WeakPolarHBondContact O-CA 3.29Å; M544-D587 HydrophobicContact CE-CB 4.35Å; M544-D587 PolarHBondContact N-O 2.94Å; M544-D587 PolarHBondContact O-N 3.06Å; M544-L589 HydrophobicContact CE-CB 3.91Å; M544-L589 HydrophobicContact CE-CD2 3.87Å; M544-L589 HydrophobicContact CE-CG 3.89Å; M544-L589 HydrophobicContact SD-CD2 3.84Å; M544-L589 HydrophobicContact SD-CG 4.41Å; M544-F600 HydrophobicContact CG-CZ 4.39Å; M544-F600 HydrophobicContact SD-CE1 4.19Å; M544-F600 HydrophobicContact SD-CZ 4.33Å
545	K	97.4	Very high	88.1	Confident	85 Å²	85	52.9 Å²	52.9	37%	0.37	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.2	174.1	176.7	-166.4	176.3	-149.5	0	108.9	I533 T534 E547 K585 T586	I533-K545 CarbonylContact C-O 3.51Å; I533-K545 WeakPolarHBondContact CA-O 3.45Å; T534-K545 PolarHBondContact N-O 3.06Å; T534-K545 PolarHBondContact O-N 2.91Å; K545-E547 VanDerWaalsContact CE-OE1 3.24Å; K545-E547 WeakPolarHBondContact CE-OE1 3.31Å; K545-E547 IonicContact NZ-OE1 3.82Å; K545-E547 PolarHBondContact NZ-OE1 3.09Å; K545-K585 WeakPolarHBondContact CA-O 3.44Å; K545-T586 HydrophobicContact CB-CG2 4.11Å; K545-T586 HydrophobicContact CG-CG2 4.02Å
546	Q	97	Very high	85.9	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.014	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	141.9	170	62.2	172	-63.3	0	0	111.7	P531 L532 I533 L562 W563 L582 T584 K585	P531-Q546 HydrophobicContact CB-CB 4.33Å; L532-Q546 WeakPolarHBondContact O-CA 3.36Å; I533-Q546 HydrophobicContact CD1-CB 3.72Å; Q546-L562 VanDerWaalsContact CD-CD1 3.47Å; Q546-L562 HydrophobicContact CG-CD1 3.91Å; Q546-W563 PolarHBondContact NE2-O 2.88Å; Q546-W563 PolarHBondContact OE1-O 2.93Å; Q546-L582 HydrophobicContact CB-CD2 3.92Å; Q546-L582 HydrophobicContact CG-CD2 4.08Å; Q546-T584 PolarHBondContact NE2-O 3.13Å; Q546-K585 PolarHBondContact N-O 3.37Å
547	E	94.3	Very high	83.9	Confident	56 Å²	56	57.4 Å²	57.4	26%	0.262	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	150.6	171.4	60.5	-168.3	71.8	0	0	110.4	P531 L532 K545 Y549	P531-E547 CarbonylContact C-O 3.55Å; P531-E547 VanDerWaalsContact CA-O 3.29Å; P531-E547 WeakPolarHBondContact CA-O 3.41Å; L532-E547 HydrophobicContact CB-CG 4.04Å; L532-E547 HydrophobicContact CD2-CG 4.19Å; L532-E547 HydrophobicContact CG-CG 4.26Å; L532-E547 PolarHBondContact N-O 3.47Å; L532-E547 PolarHBondContact O-N 3.2Å; K545-E547 VanDerWaalsContact CE-OE1 3.24Å; K545-E547 WeakPolarHBondContact CE-OE1 3.31Å; K545-E547 IonicContact NZ-OE1 3.82Å; K545-E547 PolarHBondContact NZ-OE1 3.09Å; E547-Y549 PolarHBondContact O-N 3.04Å
548	H	94.5	Very high	82.2	Confident	12 Å²	12	61.8 Å²	61.8	6%	0.056	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	119.4	177.1	178.5	-171.1	0	0	0	110.2	M550 T559 Y561 W563	H548-M550 HydrophobicContact CB-CE 4.46Å; H548-M550 WeakPolarHBondContact ND1-CE 3.18Å; H548-T559 PolarHBondContact ND1-OG1 3.16Å; H548-Y561 HydrophobicContact CB-CD2 4.36Å; H548-Y561 AromaticContact CE1-CD2 3.5Å; H548-Y561 VanDerWaalsContact CE1-CD2 3.5Å; H548-Y561 WeakPolarHBondContact CE1-CD2 3.23Å; H548-Y561 AromaticContact CE1-CE2 3.4Å; H548-Y561 WeakPolarHBondContact CE1-CE2 3.4Å; H548-Y561 AromaticContact CG-CD2 3.75Å; H548-Y561 AromaticContact ND1-CD2 3.17Å; H548-Y561 WeakPolarHBondContact ND1-CD2 3.44Å; H548-Y561 AromaticContact ND1-CE2 3.53Å; H548-Y561 AromaticContact ND1-CG 3.95Å; H548-W563 HydrophobicContact CB-CH2 3.75Å; H548-W563 HydrophobicContact CB-CZ3 3.99Å; H548-W563 AromaticContact CD2-CH2 3.88Å; H548-W563 AromaticContact CG-CH2 3.81Å
549	Y	92.1	Very high	80.9	Confident	22 Å²	22	58.6 Å²	58.6	9%	0.086	34%	0.342	C	S	.	.			trans	-77.8	127.9	175.5	-179.8	-103.7	0	0	0	111.3	A412 F530 L532 E547 I609 Q645	A412-Y549 HydrophobicContact CB-CD1 3.77Å; A412-Y549 HydrophobicContact CB-CE1 3.56Å; F530-Y549 HydrophobicContact CD2-CD1 4.43Å; F530-Y549 HydrophobicContact CE1-CD1 4.23Å; F530-Y549 AromaticContact CE2-CD1 3.47Å; F530-Y549 HydrophobicContact CE2-CD1 3.47Å; F530-Y549 VanDerWaalsContact CE2-CD1 3.47Å; F530-Y549 HydrophobicContact CE2-CE1 4.23Å; F530-Y549 AromaticContact CE2-CG 3.98Å; F530-Y549 HydrophobicContact CE2-CG 3.98Å; F530-Y549 AromaticContact CZ-CD1 3.36Å; F530-Y549 HydrophobicContact CZ-CD1 3.36Å; F530-Y549 AromaticContact CZ-CE1 3.88Å; F530-Y549 HydrophobicContact CZ-CE1 3.88Å; F530-Y549 HydrophobicContact CZ-CG 4.3Å; F530-Y549 PolarHBondContact O-N 3.28Å; L532-Y549 HydrophobicContact CB-CD2 4.44Å; E547-Y549 PolarHBondContact O-N 3.04Å; Y549-I609 HydrophobicContact CD1-CD1 4.12Å; Y549-I609 HydrophobicContact CD2-CD1 3.51Å; Y549-I609 HydrophobicContact CE1-CD1 4.26Å; Y549-I609 HydrophobicContact CE2-CD1 3.69Å; Y549-I609 HydrophobicContact CG-CD1 3.73Å; Y549-I609 HydrophobicContact CG-CG1 4.5Å; Y549-Q645 PolarHBondContact OH-O 3.35Å; Y549-Q645 PolarHBondContact OH-OE1 2.7Å
550	M	87.2	Confident	80.4	Confident	27 Å²	27	59.9 Å²	59.9	13%	0.133	36%	0.356	C	S	.	.			trans	-137.1	129.5	172.5	-80.1	174.5	-80.7	0	0	110.5	A412 H548 G552 A556 P557 T559	A412-M550 WeakPolarHBondContact O-CA 3.11Å; H548-M550 HydrophobicContact CB-CE 4.46Å; H548-M550 WeakPolarHBondContact ND1-CE 3.18Å; M550-G552 PolarHBondContact O-N 3.34Å; M550-A556 HydrophobicContact CE-CB 4.43Å; M550-P557 HydrophobicContact CE-CG 4.24Å; M550-T559 HydrophobicContact CE-CG2 4.47Å
551	K	82.9	Confident	80.2	Confident	93 Å²	93	57.4 Å²	57.4	40%	0.404	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	124.7	-177.9	-159	171.1	-175.1	174.7	0	109.9	E409 A412 L413	E409-K551 IonicContact OE1-NZ 2.62Å; E409-K551 PolarHBondContact OE1-NZ 2.82Å; E409-K551 VanDerWaalsContact OE1-NZ 3.08Å; A412-K551 HydrophobicContact CB-CB 4.12Å; A412-K551 PolarHBondContact O-N 3.36Å; L413-K551 HydrophobicContact CD2-CB 4.29Å; L413-K551 HydrophobicContact CD2-CD 4.3Å
552	G	70.9	Confident	80.1	Confident	77 Å²	77	57.3 Å²	57.3	79%	0.794	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	11	172.8	0	0	0	0	0	117.3	M550	M550-G552 PolarHBondContact O-N 3.34Å
553	S	62.6	Low	80.1	Confident	50 Å²	50	57.3 Å²	57.3	35%	0.35	35%	0.346	S	S	.	.			trans	-95.1	128	173.9	-165.9	0	0	0	0	111.9	G555	S553-G555 VanDerWaalsContact C-N 3.28Å; S553-G555 WeakPolarHBondContact CB-O 3.21Å; S553-G555 PolarHBondContact O-N 2.93Å; S553-G555 PolarHBondContact OG-O 3.31Å
554	D	49.1	Very low	80.1	Confident	147 Å²	147	55.1 Å²	55.1	79%	0.786	34%	0.336	S	S	*	.	S	Bend	trans	-75.3	80.6	171.6	-92.6	-32.3	0	0	0	110.7
555	G	54.4	Low	80.1	Confident	42 Å²	42	55 Å²	55	43%	0.433	34%	0.335	S	S	.	.	S	Bend	trans	88	147.7	-170	0	0	0	0	0	111.5	S553 P557	S553-G555 VanDerWaalsContact C-N 3.28Å; S553-G555 WeakPolarHBondContact CB-O 3.21Å; S553-G555 PolarHBondContact O-N 2.93Å; S553-G555 PolarHBondContact OG-O 3.31Å; G555-P557 WeakPolarHBondContact O-CD 3.43Å
556	A	50.8	Low	80.1	Confident	51 Å²	51	51.4 Å²	51.4	42%	0.421	32%	0.321	S	S	.	.			trans	-70.7	130	176.7	0	0	0	0	0	110.2	M550 D558	M550-A556 HydrophobicContact CE-CB 4.43Å; A556-D558 PolarHBondContact O-N 3.49Å
557	P	55.5	Low	80.2	Confident	69 Å²	69	51.3 Å²	51.3	45%	0.448	32%	0.32	S	S	.	.			trans	-48	132.1	152.3	-24.2	31.7	0	0	0	109.1	M550 G555 T559	M550-P557 HydrophobicContact CE-CG 4.24Å; G555-P557 WeakPolarHBondContact O-CD 3.43Å; P557-T559 HydrophobicContact CB-CG2 4.33Å; P557-T559 PolarHBondContact O-N 3.09Å
558	D	61.8	Low	80.4	Confident	144 Å²	144	49.4 Å²	49.4	77%	0.77	31%	0.313	S	S	*	.			trans	-74.7	71.4	-178	-159.7	20.2	0	0	0	110.1	A556 G560 K585	A556-D558 PolarHBondContact O-N 3.49Å; D558-G560 PolarHBondContact O-N 3.11Å; D558-K585 IonicContact OD1-NZ 3.58Å
559	T	68.2	Low	80.6	Confident	54 Å²	54	49.5 Å²	49.5	33%	0.331	31%	0.313	S	S	.	.			trans	-67.5	-11	-178.7	46.7	0	0	0	0	112.8	H548 M550 P557 Y561	H548-T559 PolarHBondContact ND1-OG1 3.16Å; M550-T559 HydrophobicContact CE-CG2 4.47Å; P557-T559 HydrophobicContact CB-CG2 4.33Å; P557-T559 PolarHBondContact O-N 3.09Å; T559-Y561 WeakPolarHBondContact O-CD1 3.44Å; T559-Y561 PolarHBondContact O-N 3.25Å
560	G	82.3	Confident	80.9	Confident	63 Å²	63	49 Å²	49	65%	0.649	31%	0.312	S	S	*	.			trans	67	6.4	-173.7	0	0	0	0	0	114.3	D558	D558-G560 PolarHBondContact O-N 3.11Å
561	Y	91.4	Very high	81.4	Confident	64 Å²	64	48.2 Å²	48.2	25%	0.251	31%	0.308	S	S	.	.			trans	-62.1	139.3	-176.2	-75.5	11.3	0	0	0	111.4	Q527 R528 H548 T559 W563	Q527-Y561 HydrophobicContact CB-CD2 4.38Å; Q527-Y561 HydrophobicContact CB-CE2 4.38Å; Q527-Y561 VanDerWaalsContact OE1-CA 3.25Å; R528-Y561 HydrophobicContact CG-CE2 3.94Å; R528-Y561 WeakPolarHBondContact O-CE2 3.43Å; H548-Y561 HydrophobicContact CB-CD2 4.36Å; H548-Y561 AromaticContact CE1-CD2 3.5Å; H548-Y561 VanDerWaalsContact CE1-CD2 3.5Å; H548-Y561 WeakPolarHBondContact CE1-CD2 3.23Å; H548-Y561 AromaticContact CE1-CE2 3.4Å; H548-Y561 WeakPolarHBondContact CE1-CE2 3.4Å; H548-Y561 AromaticContact CG-CD2 3.75Å; H548-Y561 AromaticContact ND1-CD2 3.17Å; H548-Y561 WeakPolarHBondContact ND1-CD2 3.44Å; H548-Y561 AromaticContact ND1-CE2 3.53Å; H548-Y561 AromaticContact ND1-CG 3.95Å; T559-Y561 WeakPolarHBondContact O-CD1 3.44Å; T559-Y561 PolarHBondContact O-N 3.25Å; Y561-W563 AromaticContact CD2-CH2 3.74Å; Y561-W563 HydrophobicContact CD2-CH2 3.74Å; Y561-W563 AromaticContact CD2-CZ2 3.94Å; Y561-W563 HydrophobicContact CD2-CZ2 3.94Å; Y561-W563 HydrophobicContact CG-CH2 4.22Å
562	L	96.3	Very high	82.1	Confident	64 Å²	64	45.3 Å²	45.3	34%	0.335	30%	0.3	S	S	.	.			trans	-151.8	134.8	-176.9	-166.3	73.9	0	0	0	109.3	T523 Q527 Q546 K583 K585	T523-L562 WeakPolarHBondContact CG2-O 3.14Å; Q527-L562 PolarHBondContact NE2-O 3.48Å; Q546-L562 VanDerWaalsContact CD-CD1 3.47Å; Q546-L562 HydrophobicContact CG-CD1 3.91Å; L562-K583 WeakPolarHBondContact CD2-O 3.47Å; L562-K585 HydrophobicContact CD1-CB 4.14Å
563	W	98	Very high	83.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.286	C	S	.	.			trans	-119	152.1	179.6	-65.8	-94.3	0	0	0	111.3	T523 W524 Q527 P531 Q546 H548 Y561 V565	T523-W563 PolarHBondContact O-NE1 2.77Å; T523-W563 VanDerWaalsContact O-NE1 3.08Å; W524-W563 AromaticContact CD2-CD1 3.7Å; W524-W563 AromaticContact CE2-CD1 3.94Å; W524-W563 AromaticContact CE3-CD1 3.64Å; W524-W563 HydrophobicContact CE3-CG 4.5Å; W524-W563 HydrophobicContact CH2-CB 4.27Å; W524-W563 HydrophobicContact CH2-CG 4.25Å; W524-W563 HydrophobicContact CZ2-CB 3.92Å; W524-W563 HydrophobicContact CZ2-CG 4.26Å; W524-W563 AromaticContact CZ3-CD1 3.87Å; W524-W563 HydrophobicContact CZ3-CG 4.35Å; Q527-W563 HydrophobicContact CB-CZ2 4.42Å; P531-W563 HydrophobicContact CB-CD2 4.3Å; P531-W563 HydrophobicContact CB-CE3 3.68Å; P531-W563 HydrophobicContact CB-CZ3 3.95Å; P531-W563 HydrophobicContact CG-CB 4.34Å; P531-W563 HydrophobicContact CG-CD2 4.07Å; P531-W563 HydrophobicContact CG-CE3 3.96Å; P531-W563 HydrophobicContact CG-CG 4.26Å; Q546-W563 PolarHBondContact NE2-O 2.88Å; Q546-W563 PolarHBondContact OE1-O 2.93Å; H548-W563 HydrophobicContact CB-CH2 3.75Å; H548-W563 HydrophobicContact CB-CZ3 3.99Å; H548-W563 AromaticContact CD2-CH2 3.88Å; H548-W563 AromaticContact CG-CH2 3.81Å; Y561-W563 AromaticContact CD2-CH2 3.74Å; Y561-W563 HydrophobicContact CD2-CH2 3.74Å; Y561-W563 AromaticContact CD2-CZ2 3.94Å; Y561-W563 HydrophobicContact CD2-CZ2 3.94Å; Y561-W563 HydrophobicContact CG-CH2 4.22Å; W563-V565 HydrophobicContact CB-CG2 3.67Å; W563-V565 PolarHBondContact O-N 3.46Å
564	H	97.8	Very high	84.9	Confident	31 Å²	31	46.2 Å²	46.2	14%	0.144	28%	0.28	C	S	.	.			trans	-87.2	99.5	162	-71.9	-177.1	0	0	0	107.9	M520 T523 W524 P566 L581 L582	M520-H564 HydrophobicContact CB-CB 3.8Å; M520-H564 HydrophobicContact CG-CB 3.8Å; T523-H564 PolarHBondContact OG1-N 2.96Å; W524-H564 PolarHBondContact NE1-O 2.9Å; H564-P566 WeakPolarHBondContact O-CD 3.13Å; H564-L581 HydrophobicContact CB-CD1 4.31Å; H564-L582 WeakPolarHBondContact CA-O 3.39Å
565	V	98.3	Very high	87.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.2	-170.3	-164.9	0	0	0	0	110.7	W524 P531 I533 W563 L567 L582 Y608	W524-V565 HydrophobicContact CH2-CG1 4.45Å; W524-V565 HydrophobicContact CH2-CG2 4.4Å; W524-V565 HydrophobicContact CZ2-CB 4.34Å; W524-V565 HydrophobicContact CZ2-CG1 4.2Å; W524-V565 HydrophobicContact CZ2-CG2 4.02Å; P531-V565 HydrophobicContact CG-CG2 3.86Å; I533-V565 HydrophobicContact CD1-CG1 4.34Å; I533-V565 HydrophobicContact CD1-CG2 4.27Å; W563-V565 HydrophobicContact CB-CG2 3.67Å; W563-V565 PolarHBondContact O-N 3.46Å; V565-L567 VanDerWaalsContact C-N 3.3Å; V565-L567 HydrophobicContact CB-CD2 4.21Å; V565-L567 HydrophobicContact CG1-CD2 3.6Å; V565-L567 HydrophobicContact CG1-CG 4.33Å; V565-L567 PolarHBondContact O-N 3.29Å; V565-L582 HydrophobicContact CB-CB 4.4Å; V565-L582 PolarHBondContact N-O 3.01Å; V565-L582 PolarHBondContact O-N 2.69Å; V565-Y608 HydrophobicContact CG1-CD1 3.38Å; V565-Y608 HydrophobicContact CG1-CD2 4.49Å; V565-Y608 HydrophobicContact CG1-CE1 3.64Å; V565-Y608 HydrophobicContact CG1-CG 3.87Å
566	P	97.6	Very high	89.1	Confident	11 Å²	11	49.9 Å²	49.9	7%	0.071	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	83	174.6	33.4	-35	0	0	0	109.2	M447 Y451 M520 H564 L581	M447-P566 HydrophobicContact CG-CG 3.52Å; M447-P566 HydrophobicContact SD-CG 3.79Å; Y451-P566 HydrophobicContact CD2-CB 3.73Å; Y451-P566 HydrophobicContact CE2-CB 4.49Å; Y451-P566 HydrophobicContact CG-CB 4.07Å; M520-P566 HydrophobicContact CE-CB 4.32Å; M520-P566 HydrophobicContact CE-CG 3.73Å; H564-P566 WeakPolarHBondContact O-CD 3.13Å; P566-L581 HydrophobicContact CB-CD1 4.45Å
567	L	98.1	Very high	91.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	138.2	177.4	-58.2	-179.9	0	0	0	110.4	I533 M544 V565 R579 F580 L582 F600 Y608	I533-L567 HydrophobicContact CD1-CD2 4.26Å; I533-L567 HydrophobicContact CG1-CD2 3.93Å; I533-L567 HydrophobicContact CG2-CD1 4.38Å; I533-L567 HydrophobicContact CG2-CD2 4.14Å; M544-L567 HydrophobicContact CG-CD1 4.19Å; M544-L567 HydrophobicContact SD-CD1 3.55Å; M544-L567 VanDerWaalsContact SD-CD1 3.55Å; V565-L567 VanDerWaalsContact C-N 3.3Å; V565-L567 HydrophobicContact CB-CD2 4.21Å; V565-L567 HydrophobicContact CG1-CD2 3.6Å; V565-L567 HydrophobicContact CG1-CG 4.33Å; V565-L567 PolarHBondContact O-N 3.29Å; L567-R579 CarbonylContact O-C 3.55Å; L567-R579 WeakPolarHBondContact O-CA 3.21Å; L567-F580 WeakPolarHBondContact CA-O 3.37Å; L567-F580 HydrophobicContact CB-CB 4.38Å; L567-F580 VanDerWaalsContact CB-O 3.28Å; L567-F580 WeakPolarHBondContact CB-O 3.32Å; L567-F580 HydrophobicContact CD1-CD1 4.29Å; L567-F580 PolarHBondContact N-O 2.82Å; L567-F580 PolarHBondContact O-N 2.69Å; L567-L582 HydrophobicContact CD1-CB 3.85Å; L567-L582 HydrophobicContact CD1-CD2 4.19Å; L567-L582 HydrophobicContact CG-CB 4.17Å; L567-F600 HydrophobicContact CB-CD1 4.19Å; L567-F600 HydrophobicContact CB-CE1 4.28Å; L567-F600 HydrophobicContact CD1-CD1 4.44Å; L567-F600 HydrophobicContact CD1-CE1 4.16Å; L567-Y608 WeakPolarHBondContact CA-OH 3.5Å; L567-Y608 HydrophobicContact CD2-CD2 4.22Å; L567-Y608 HydrophobicContact CD2-CE1 4.21Å; L567-Y608 HydrophobicContact CD2-CE2 3.62Å
568	T	98.5	Very high	93.2	Very high	17 Å²	17	49.8 Å²	49.8	10%	0.104	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.5	171	56.9	0	0	0	0	109.4	V577 H578 R579 F600 N601 V602 Y608	T568-V577 HydrophobicContact CG2-CG1 4.1Å; T568-H578 CarbonylContact C-O 3.56Å; T568-H578 VanDerWaalsContact CA-O 3.24Å; T568-H578 WeakPolarHBondContact CA-O 3.34Å; T568-R579 HydrophobicContact CG2-CG 4.39Å; T568-F600 CarbonylContact O-C 3.59Å; T568-F600 WeakPolarHBondContact O-CA 3.35Å; T568-N601 PolarHBondContact O-N 3.4Å; T568-V602 PolarHBondContact OG1-N 2.95Å; T568-Y608 PolarHBondContact N-OH 3.08Å
569	F	98.5	Very high	94.8	Very high	13 Å²	13	49.1 Å²	49.1	6%	0.057	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157.5	175.3	69.1	-88.3	0	0	0	114.5	T571 H578 L589 L591 I598 K599 F600	F569-T571 HydrophobicContact CD2-CG2 4.05Å; F569-T571 HydrophobicContact CE2-CG2 4.19Å; F569-H578 HydrophobicContact CD1-CB 3.87Å; F569-H578 HydrophobicContact CD2-CB 3.98Å; F569-H578 HydrophobicContact CE1-CB 3.47Å; F569-H578 VanDerWaalsContact CE1-CB 3.47Å; F569-H578 HydrophobicContact CE2-CB 3.61Å; F569-H578 AromaticContact CE2-CD2 3.94Å; F569-H578 AromaticContact CE2-CG 3.82Å; F569-H578 HydrophobicContact CG-CB 4.11Å; F569-H578 HydrophobicContact CZ-CB 3.34Å; F569-H578 AromaticContact CZ-CG 3.86Å; F569-H578 PolarHBondContact N-O 2.9Å; F569-H578 PolarHBondContact O-N 2.9Å; F569-L589 HydrophobicContact CD1-CD2 4.25Å; F569-L589 HydrophobicContact CE1-CD2 3.54Å; F569-L589 HydrophobicContact CZ-CD1 4.15Å; F569-L589 HydrophobicContact CZ-CD2 3.96Å; F569-L591 HydrophobicContact CE2-CD2 3.81Å; F569-L591 HydrophobicContact CZ-CD2 4.2Å; F569-I598 HydrophobicContact CB-CD1 4.46Å; F569-I598 HydrophobicContact CB-CG1 4.28Å; F569-I598 HydrophobicContact CD2-CD1 3.63Å; F569-I598 HydrophobicContact CD2-CG1 4.02Å; F569-I598 HydrophobicContact CE2-CD1 4.05Å; F569-I598 HydrophobicContact CG-CD1 4.13Å; F569-I598 HydrophobicContact CG-CG1 4.43Å; F569-K599 CarbonylContact C-O 3.55Å; F569-K599 WeakPolarHBondContact CA-O 3.37Å; F569-K599 WeakPolarHBondContact CB-O 3.49Å; F569-F600 HydrophobicContact CB-CD1 3.9Å; F569-F600 HydrophobicContact CB-CD2 4.16Å; F569-F600 HydrophobicContact CB-CE1 4.07Å; F569-F600 HydrophobicContact CB-CE2 4.32Å; F569-F600 HydrophobicContact CB-CG 3.96Å; F569-F600 HydrophobicContact CB-CZ 4.28Å; F569-F600 HydrophobicContact CD1-CD1 4.46Å; F569-F600 AromaticContact CD1-CE1 3.91Å; F569-F600 HydrophobicContact CD1-CE1 3.91Å; F569-F600 HydrophobicContact CD1-CZ 4.19Å; F569-F600 HydrophobicContact CG-CE1 4.25Å; F569-F600 HydrophobicContact CG-CZ 4.29Å
570	I	98.4	Very high	96.2	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.067	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	163.6	168.4	54.5	169.3	0	0	0	109.6	D575 V577 W597 K599 V602 V631	I570-D575 VanDerWaalsContact CG2-O 3.26Å; I570-D575 WeakPolarHBondContact CG2-O 3.47Å; I570-V577 HydrophobicContact CG2-CG2 4.5Å; I570-W597 HydrophobicContact CD1-CH2 4.49Å; I570-W597 HydrophobicContact CD1-CZ3 4.37Å; I570-W597 HydrophobicContact CG1-CZ3 4.2Å; I570-K599 HydrophobicContact CG1-CB 4.05Å; I570-K599 HydrophobicContact CG1-CG 4.38Å; I570-K599 PolarHBondContact N-O 3.29Å; I570-K599 PolarHBondContact O-N 3.05Å; I570-V602 HydrophobicContact CG1-CG2 4.24Å; I570-V602 HydrophobicContact CG2-CG1 4.29Å; I570-V602 HydrophobicContact CG2-CG2 3.98Å; I570-V631 HydrophobicContact CD1-CG1 4.25Å
571	T	98.2	Very high	96.9	Very high	10 Å²	10	46.4 Å²	46.4	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	169	-177.5	69.9	0	0	0	0	112	F569 K573 S574 L591 V595 W597 I598	F569-T571 HydrophobicContact CD2-CG2 4.05Å; F569-T571 HydrophobicContact CE2-CG2 4.19Å; T571-K573 PolarHBondContact O-N 2.98Å; T571-K573 PolarHBondContact OG1-N 2.84Å; T571-S574 PolarHBondContact N-O 2.86Å; T571-S574 CarbonylContact O-C 3.56Å; T571-S574 PolarHBondContact O-N 3.28Å; T571-S574 VanDerWaalsContact O-N 3.1Å; T571-S574 PolarHBondContact OG1-N 3.08Å; T571-L591 HydrophobicContact CG2-CD2 4.48Å; T571-V595 HydrophobicContact CG2-CG1 4.21Å; T571-V595 HydrophobicContact CG2-CG2 4.32Å; T571-W597 VanDerWaalsContact C-CZ3 3.47Å; T571-W597 WeakPolarHBondContact CA-O 3.31Å; T571-I598 HydrophobicContact CG2-CB 4.3Å; T571-I598 HydrophobicContact CG2-CD1 4.14Å; T571-I598 HydrophobicContact CG2-CG1 4.03Å
572	S	96.9	Very high	97.1	Very high	32 Å²	32	43.3 Å²	43.3	22%	0.224	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-11.1	173.4	79.4	0	0	0	0	115.1	E596 W597	S572-E596 PolarHBondContact OG-N 3.1Å; S572-W597 VanDerWaalsContact CB-NE1 3.32Å; S572-W597 PolarHBondContact N-O 3.27Å; S572-W597 VanDerWaalsContact N-O 3.1Å
573	K	96.6	Very high	97.1	Very high	115 Å²	115	44.3 Å²	44.3	50%	0.5	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-14.1	-179.8	-59.9	-63.7	-172.2	123.3	0	113.8	T571 E593 V595	T571-K573 PolarHBondContact O-N 2.98Å; T571-K573 PolarHBondContact OG1-N 2.84Å; K573-E593 WeakPolarHBondContact CD-OE2 3.31Å; K573-E593 VanDerWaalsContact CE-OE2 3.28Å; K573-E593 WeakPolarHBondContact CE-OE2 3.4Å; K573-E593 HydrophobicContact CG-CG 4.15Å; K573-E593 IonicContact NZ-OE2 3.17Å; K573-E593 PolarHBondContact NZ-OE2 3.47Å; K573-V595 HydrophobicContact CB-CG1 4.32Å; K573-V595 HydrophobicContact CG-CB 4.49Å; K573-V595 HydrophobicContact CG-CG1 3.83Å
574	S	96	Very high	97	Very high	31 Å²	31	47.4 Å²	47.4	22%	0.217	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	115.5	-170.7	171.4	0	0	0	0	111	T571 M576 H578	T571-S574 PolarHBondContact N-O 2.86Å; T571-S574 CarbonylContact O-C 3.56Å; T571-S574 PolarHBondContact O-N 3.28Å; T571-S574 VanDerWaalsContact O-N 3.1Å; T571-S574 PolarHBondContact OG1-N 3.08Å; S574-M576 PolarHBondContact OG-N 2.89Å; S574-H578 PolarHBondContact OG-NE2 3.26Å
575	D	94.9	Very high	96.9	Very high	149 Å²	149	51.3 Å²	51.3	80%	0.797	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	-14.4	168.6	61.3	-12.8	0	0	0	113.2	I570 V577	I570-D575 VanDerWaalsContact CG2-O 3.26Å; I570-D575 WeakPolarHBondContact CG2-O 3.47Å; D575-V577 PolarHBondContact O-N 3.1Å
576	M	96	Very high	96.9	Very high	116 Å²	116	55.8 Å²	55.8	57%	0.571	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.3	128.7	170.7	-167.2	-170.6	99.4	0	0	110.6	S574 H578	S574-M576 PolarHBondContact OG-N 2.89Å; M576-H578 PolarHBondContact O-CD2 3.44Å; M576-H578 PolarHBondContact O-N 2.95Å; M576-H578 VanDerWaalsContact O-N 3.09Å; M576-H578 PolarHBondContact O-NE2 2.96Å
577	V	96.9	Very high	96.9	Very high	61 Å²	61	58.4 Å²	58.4	37%	0.37	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	102	178.6	-175.6	0	0	0	0	110.3	T568 I570 D575 V602	T568-V577 HydrophobicContact CG2-CG1 4.1Å; I570-V577 HydrophobicContact CG2-CG2 4.5Å; D575-V577 PolarHBondContact O-N 3.1Å; V577-V602 HydrophobicContact CG1-CB 4.37Å; V577-V602 HydrophobicContact CG1-CG2 4.21Å; V577-V602 HydrophobicContact CG2-CG1 4.09Å
578	H	96.8	Very high	96.8	Very high	57 Å²	57	61.2 Å²	61.2	26%	0.264	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	151.8	171.6	-63.6	-84	0	0	0	110.2	T568 F569 S574 M576	T568-H578 CarbonylContact C-O 3.56Å; T568-H578 VanDerWaalsContact CA-O 3.24Å; T568-H578 WeakPolarHBondContact CA-O 3.34Å; F569-H578 HydrophobicContact CD1-CB 3.87Å; F569-H578 HydrophobicContact CD2-CB 3.98Å; F569-H578 HydrophobicContact CE1-CB 3.47Å; F569-H578 VanDerWaalsContact CE1-CB 3.47Å; F569-H578 HydrophobicContact CE2-CB 3.61Å; F569-H578 AromaticContact CE2-CD2 3.94Å; F569-H578 AromaticContact CE2-CG 3.82Å; F569-H578 HydrophobicContact CG-CB 4.11Å; F569-H578 HydrophobicContact CZ-CB 3.34Å; F569-H578 AromaticContact CZ-CG 3.86Å; F569-H578 PolarHBondContact N-O 2.9Å; F569-H578 PolarHBondContact O-N 2.9Å; S574-H578 PolarHBondContact OG-NE2 3.26Å; M576-H578 PolarHBondContact O-CD2 3.44Å; M576-H578 PolarHBondContact O-N 2.95Å; M576-H578 VanDerWaalsContact O-N 3.09Å; M576-H578 PolarHBondContact O-NE2 2.96Å
579	R	95.7	Very high	96.6	Very high	131 Å²	131	60.8 Å²	60.8	49%	0.494	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.1	-173.7	-58.8	179.5	176.8	-97.7	10.4	110.7	E450 L567 T568	E450-R579 VanDerWaalsContact O-CZ 3.26Å; E450-R579 PolarHBondContact O-NH1 3.39Å; E450-R579 PolarHBondContact O-NH2 3.34Å; E450-R579 IonicContact OE2-NH2 2.78Å; L567-R579 CarbonylContact O-C 3.55Å; L567-R579 WeakPolarHBondContact O-CA 3.21Å; T568-R579 HydrophobicContact CG2-CG 4.39Å
580	F	96.1	Very high	96.5	Very high	34 Å²	34	64.9 Å²	64.9	15%	0.149	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	128.9	178.5	-174.1	-84.9	0	0	0	109.9	M544 L567 L582 D587 L589	M544-F580 HydrophobicContact CE-CD1 3.93Å; M544-F580 HydrophobicContact CE-CD2 4.45Å; M544-F580 HydrophobicContact CE-CE1 3.59Å; M544-F580 HydrophobicContact CE-CE2 4.14Å; M544-F580 HydrophobicContact CE-CG 4.35Å; M544-F580 HydrophobicContact CE-CZ 3.71Å; M544-F580 HydrophobicContact SD-CD1 3.81Å; M544-F580 HydrophobicContact SD-CE1 4Å; M544-F580 HydrophobicContact SD-CG 4.31Å; L567-F580 WeakPolarHBondContact CA-O 3.37Å; L567-F580 HydrophobicContact CB-CB 4.38Å; L567-F580 VanDerWaalsContact CB-O 3.28Å; L567-F580 WeakPolarHBondContact CB-O 3.32Å; L567-F580 HydrophobicContact CD1-CD1 4.29Å; L567-F580 PolarHBondContact N-O 2.82Å; L567-F580 PolarHBondContact O-N 2.69Å; F580-L582 HydrophobicContact CD1-CB 4.35Å; F580-L582 HydrophobicContact CE1-CB 4.3Å; F580-L582 HydrophobicContact CE1-CD1 4.37Å; F580-D587 HydrophobicContact CE1-CB 4.15Å; F580-D587 HydrophobicContact CZ-CB 4.1Å; F580-D587 WeakPolarHBondContact CZ-OD2 3.42Å; F580-L589 HydrophobicContact CB-CD2 4.37Å; F580-L589 HydrophobicContact CD2-CB 4.12Å; F580-L589 HydrophobicContact CD2-CD2 4.19Å; F580-L589 HydrophobicContact CE2-CB 4.11Å; F580-L589 HydrophobicContact CG-CD2 4.3Å
581	L	96.9	Very high	96.4	Very high	25 Å²	25	64.6 Å²	64.6	13%	0.131	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	99.3	179.4	-179	62	0	0	0	110.3	Y451 M520 H564 P566 K583	Y451-L581 HydrophobicContact CE2-CD2 4.5Å; M520-L581 HydrophobicContact SD-CD1 4.32Å; H564-L581 HydrophobicContact CB-CD1 4.31Å; P566-L581 HydrophobicContact CB-CD1 4.45Å; L581-K583 HydrophobicContact CD2-CD 4.48Å; L581-K583 VanDerWaalsContact CD2-CE 3.46Å; L581-K583 HydrophobicContact CD2-CG 4.25Å; L581-K583 HydrophobicContact CG-CG 4.02Å; L581-K583 PolarHBondContact O-N 3.24Å
582	L	97.2	Very high	96.2	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	105.9	176.8	-179.4	66.7	0	0	0	109.5	I533 M544 Q546 H564 V565 L567 F580 T584 D587	I533-L582 HydrophobicContact CD1-CD2 4.16Å; M544-L582 HydrophobicContact CB-CD1 4.47Å; M544-L582 HydrophobicContact CB-CD2 4.47Å; Q546-L582 HydrophobicContact CB-CD2 3.92Å; Q546-L582 HydrophobicContact CG-CD2 4.08Å; H564-L582 WeakPolarHBondContact CA-O 3.39Å; V565-L582 HydrophobicContact CB-CB 4.4Å; V565-L582 PolarHBondContact N-O 3.01Å; V565-L582 PolarHBondContact O-N 2.69Å; L567-L582 HydrophobicContact CD1-CB 3.85Å; L567-L582 HydrophobicContact CD1-CD2 4.19Å; L567-L582 HydrophobicContact CG-CB 4.17Å; F580-L582 HydrophobicContact CD1-CB 4.35Å; F580-L582 HydrophobicContact CE1-CB 4.3Å; F580-L582 HydrophobicContact CE1-CD1 4.37Å; L582-T584 WeakPolarHBondContact CD1-O 3.47Å; L582-D587 HydrophobicContact CD1-CB 3.5Å; L582-D587 VanDerWaalsContact CD1-CB 3.5Å
583	K	95.6	Very high	96	Very high	85 Å²	85	72 Å²	72	37%	0.37	37%	0.369	S	S	.	.			trans	-98.2	-19.1	177	-59.6	-176.2	-176.3	177.9	0	113.7	L562 L581	L562-K583 WeakPolarHBondContact CD2-O 3.47Å; L581-K583 HydrophobicContact CD2-CD 4.48Å; L581-K583 VanDerWaalsContact CD2-CE 3.46Å; L581-K583 HydrophobicContact CD2-CG 4.25Å; L581-K583 HydrophobicContact CG-CG 4.02Å; L581-K583 PolarHBondContact O-N 3.24Å
584	T	96.2	Very high	96	Very high	65 Å²	65	72.7 Å²	72.7	40%	0.399	37%	0.374	S	S	.	.	S	Bend	trans	-109.2	167.3	-173.8	53	0	0	0	0	111.7	Q546 L582 T586	Q546-T584 PolarHBondContact NE2-O 3.13Å; L582-T584 WeakPolarHBondContact CD1-O 3.47Å; T584-T586 PolarHBondContact O-N 3.34Å; T584-T586 PolarHBondContact OG1-O 3.22Å
585	K	96.4	Very high	96	Very high	113 Å²	113	72.7 Å²	72.7	49%	0.491	37%	0.372	S	S	.	.	S	Bend	trans	-62.5	-30.5	177.6	-170.5	164.7	-173.4	164.1	0	112.4	K545 Q546 D558 L562	K545-K585 WeakPolarHBondContact CA-O 3.44Å; Q546-K585 PolarHBondContact N-O 3.37Å; D558-K585 IonicContact OD1-NZ 3.58Å; L562-K585 HydrophobicContact CD1-CB 4.14Å
586	T	96.9	Very high	96.1	Very high	94 Å²	94	72.7 Å²	72.7	58%	0.577	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	142.9	176.4	53.2	0	0	0	0	110.6	M544 K545 T584	M544-T586 CarbonylContact O-C 3.58Å; M544-T586 WeakPolarHBondContact O-CA 3.29Å; K545-T586 HydrophobicContact CB-CG2 4.11Å; K545-T586 HydrophobicContact CG-CG2 4.02Å; T584-T586 PolarHBondContact O-N 3.34Å; T584-T586 PolarHBondContact OG1-O 3.22Å
587	D	97.8	Very high	96.1	Very high	65 Å²	65	68.8 Å²	68.8	35%	0.348	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	175.7	172.4	-148.4	-24.2	0	0	0	110.9	M544 F580 L582	M544-D587 HydrophobicContact CE-CB 4.35Å; M544-D587 PolarHBondContact N-O 2.94Å; M544-D587 PolarHBondContact O-N 3.06Å; F580-D587 HydrophobicContact CE1-CB 4.15Å; F580-D587 HydrophobicContact CZ-CB 4.1Å; F580-D587 WeakPolarHBondContact CZ-OD2 3.42Å; L582-D587 HydrophobicContact CD1-CB 3.5Å; L582-D587 VanDerWaalsContact CD1-CB 3.5Å
588	V	96.3	Very high	96.2	Very high	60 Å²	60	66.3 Å²	66.3	36%	0.364	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	133.8	178.6	63.2	0	0	0	0	111.4	N541 V542	N541-V588 HydrophobicContact CB-CG2 4.28Å; V542-V588 WeakPolarHBondContact O-CA 3.49Å
589	L	95.2	Very high	96.3	Very high	8 Å²	8	63.7 Å²	63.7	4%	0.042	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	153.2	167.4	69.4	82.1	0	0	0	110.2	V542 M544 F569 F580 L591 F600	V542-L589 HydrophobicContact CB-CD1 3.69Å; V542-L589 HydrophobicContact CB-CG 3.91Å; V542-L589 HydrophobicContact CG1-CD1 4.39Å; V542-L589 HydrophobicContact CG1-CG 4.36Å; V542-L589 HydrophobicContact CG2-CD1 3.96Å; V542-L589 PolarHBondContact N-O 3.44Å; V542-L589 PolarHBondContact O-N 2.87Å; M544-L589 HydrophobicContact CE-CB 3.91Å; M544-L589 HydrophobicContact CE-CD2 3.87Å; M544-L589 HydrophobicContact CE-CG 3.89Å; M544-L589 HydrophobicContact SD-CD2 3.84Å; M544-L589 HydrophobicContact SD-CG 4.41Å; F569-L589 HydrophobicContact CD1-CD2 4.25Å; F569-L589 HydrophobicContact CE1-CD2 3.54Å; F569-L589 HydrophobicContact CZ-CD1 4.15Å; F569-L589 HydrophobicContact CZ-CD2 3.96Å; F580-L589 HydrophobicContact CB-CD2 4.37Å; F580-L589 HydrophobicContact CD2-CB 4.12Å; F580-L589 HydrophobicContact CD2-CD2 4.19Å; F580-L589 HydrophobicContact CE2-CB 4.11Å; F580-L589 HydrophobicContact CG-CD2 4.3Å; L589-L591 HydrophobicContact CD1-CD2 3.73Å; L589-L591 HydrophobicContact CD1-CG 4.08Å; L589-F600 HydrophobicContact CD2-CZ 4.32Å
590	I	95.9	Very high	96.4	Very high	98 Å²	98	57.5 Å²	57.5	50%	0.503	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	117.1	179.2	-54	177.7	0	0	0	107.9	R540	R540-I590 HydrophobicContact CB-CG2 4.35Å
591	L	94.9	Very high	96.5	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.042	29%	0.289	C	S	.	.			trans	-70.7	151.4	175.5	-64	176.7	0	0	0	111.1	R540 V542 F569 T571 L589 E593 V595 I598	R540-L591 HydrophobicContact CB-CB 4.4Å; R540-L591 WeakPolarHBondContact CD-O 3.45Å; R540-L591 PolarHBondContact O-N 3.46Å; V542-L591 HydrophobicContact CG2-CD1 3.68Å; V542-L591 HydrophobicContact CG2-CD2 4.47Å; V542-L591 HydrophobicContact CG2-CG 3.82Å; F569-L591 HydrophobicContact CE2-CD2 3.81Å; F569-L591 HydrophobicContact CZ-CD2 4.2Å; T571-L591 HydrophobicContact CG2-CD2 4.48Å; L589-L591 HydrophobicContact CD1-CD2 3.73Å; L589-L591 HydrophobicContact CD1-CG 4.08Å; L591-E593 VanDerWaalsContact C-N 3.33Å; L591-E593 VanDerWaalsContact CB-O 3.29Å; L591-E593 WeakPolarHBondContact CB-O 3.45Å; L591-E593 PolarHBondContact O-N 3.01Å; L591-V595 HydrophobicContact CD1-CG1 4.16Å; L591-V595 HydrophobicContact CD1-CG2 3.72Å; L591-I598 HydrophobicContact CD1-CD1 4.46Å; L591-I598 HydrophobicContact CD2-CD1 4.37Å
592	P	94	Very high	96.6	Very high	107 Å²	107	55.6 Å²	55.6	70%	0.695	29%	0.288	S	S	*	.	S	Bend	trans	-62.4	-41.8	176	24.8	-33	0	0	0	111.6	R540	R540-P592 WeakPolarHBondContact CD-O 3.28Å; R540-P592 PolarHBondContact NH1-O 2.93Å
593	E	94.1	Very high	96.6	Very high	90 Å²	90	56.1 Å²	56.1	42%	0.421	29%	0.293	S	S	.	.	S	Bend	trans	-135.3	170.4	178.5	66.1	-173.3	87.9	0	0	111	K573 L591	K573-E593 WeakPolarHBondContact CD-OE2 3.31Å; K573-E593 VanDerWaalsContact CE-OE2 3.28Å; K573-E593 WeakPolarHBondContact CE-OE2 3.4Å; K573-E593 HydrophobicContact CG-CG 4.15Å; K573-E593 IonicContact NZ-OE2 3.17Å; K573-E593 PolarHBondContact NZ-OE2 3.47Å; L591-E593 VanDerWaalsContact C-N 3.33Å; L591-E593 VanDerWaalsContact CB-O 3.29Å; L591-E593 WeakPolarHBondContact CB-O 3.45Å; L591-E593 PolarHBondContact O-N 3.01Å
594	E	95.8	Very high	96.7	Very high	129 Å²	129	52.1 Å²	52.1	60%	0.603	28%	0.276	S	S	*	.			trans	-78.2	145.3	173.1	-62.6	-172.3	161.8	0	0	110.5	G539 R540	G539-E594 WeakPolarHBondContact CA-OE1 3.35Å; R540-E594 HydrophobicContact CG-CG 3.47Å; R540-E594 VanDerWaalsContact CG-CG 3.47Å
595	V	96.8	Very high	96.8	Very high	31 Å²	31	51.6 Å²	51.6	19%	0.188	27%	0.271	C	S	.	.			trans	-129.5	150.1	-171.6	-55.9	0	0	0	0	110.4	T571 K573 L591 W597 I598	T571-V595 HydrophobicContact CG2-CG1 4.21Å; T571-V595 HydrophobicContact CG2-CG2 4.32Å; K573-V595 HydrophobicContact CB-CG1 4.32Å; K573-V595 HydrophobicContact CG-CB 4.49Å; K573-V595 HydrophobicContact CG-CG1 3.83Å; L591-V595 HydrophobicContact CD1-CG1 4.16Å; L591-V595 HydrophobicContact CD1-CG2 3.72Å; V595-W597 WeakPolarHBondContact CG2-O 3.5Å; V595-I598 HydrophobicContact CG2-CB 4.45Å
596	E	95.9	Very high	96.8	Very high	150 Å²	150	46.4 Å²	46.4	70%	0.701	25%	0.249	S	C	*	.	S	Bend	trans	-76.2	-29.9	-178.7	-61.4	170.3	-176.6	0	0	111.8	S572 S619	S572-E596 PolarHBondContact OG-N 3.1Å; E596-S619 PolarHBondContact O-OG 3.44Å
597	W	97.2	Very high	96.9	Very high	33 Å²	33	42 Å²	42	13%	0.125	22%	0.222	C	C	.	.			trans	-154	156.4	174.6	55.5	-98.1	0	0	0	110.7	I570 T571 S572 V595 K599 L620 L623 A630 V631	I570-W597 HydrophobicContact CD1-CH2 4.49Å; I570-W597 HydrophobicContact CD1-CZ3 4.37Å; I570-W597 HydrophobicContact CG1-CZ3 4.2Å; T571-W597 VanDerWaalsContact C-CZ3 3.47Å; T571-W597 WeakPolarHBondContact CA-O 3.31Å; S572-W597 VanDerWaalsContact CB-NE1 3.32Å; S572-W597 PolarHBondContact N-O 3.27Å; S572-W597 VanDerWaalsContact N-O 3.1Å; V595-W597 WeakPolarHBondContact CG2-O 3.5Å; W597-K599 HydrophobicContact CE3-CB 4.36Å; W597-K599 HydrophobicContact CZ3-CB 4.22Å; W597-L620 HydrophobicContact CB-CD2 4.46Å; W597-L623 HydrophobicContact CD2-CD2 3.72Å; W597-L623 HydrophobicContact CE3-CD2 4.24Å; W597-L623 HydrophobicContact CG-CD2 3.98Å; W597-L623 HydrophobicContact CZ2-CD1 4.45Å; W597-L623 HydrophobicContact CZ2-CD2 4.09Å; W597-A630 HydrophobicContact CZ2-CB 4.37Å; W597-V631 HydrophobicContact CH2-CG1 4Å; W597-V631 HydrophobicContact CZ3-CG1 4.16Å
598	I	98	Very high	97	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.046	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.2	172.4	-177.2	161.4	0	0	0	108.6	V537 V542 F569 T571 L591 V595 F600 Y612	V537-I598 HydrophobicContact CG2-CG2 3.91Å; V542-I598 HydrophobicContact CG1-CD1 4.27Å; V542-I598 HydrophobicContact CG2-CD1 4.15Å; F569-I598 HydrophobicContact CB-CD1 4.46Å; F569-I598 HydrophobicContact CB-CG1 4.28Å; F569-I598 HydrophobicContact CD2-CD1 3.63Å; F569-I598 HydrophobicContact CD2-CG1 4.02Å; F569-I598 HydrophobicContact CE2-CD1 4.05Å; F569-I598 HydrophobicContact CG-CD1 4.13Å; F569-I598 HydrophobicContact CG-CG1 4.43Å; T571-I598 HydrophobicContact CG2-CB 4.3Å; T571-I598 HydrophobicContact CG2-CD1 4.14Å; T571-I598 HydrophobicContact CG2-CG1 4.03Å; L591-I598 HydrophobicContact CD1-CD1 4.46Å; L591-I598 HydrophobicContact CD2-CD1 4.37Å; V595-I598 HydrophobicContact CG2-CB 4.45Å; I598-F600 HydrophobicContact CD1-CD2 4.33Å; I598-F600 HydrophobicContact CD1-CE2 3.52Å; I598-F600 HydrophobicContact CD1-CZ 4.05Å; I598-F600 HydrophobicContact CG1-CD2 4.02Å; I598-F600 HydrophobicContact CG1-CE2 3.71Å; I598-F600 HydrophobicContact CG2-CE2 4.5Å; I598-Y612 VanDerWaalsContact O-CE1 3.31Å; I598-Y612 WeakPolarHBondContact O-CE1 3.17Å
599	K	98.5	Very high	97	Very high	2 Å²	2	36 Å²	36	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.9	179.2	168.8	57.3	171.3	62.1	0	109.1	F569 I570 W597 N601 D635 S638 L639	F569-K599 CarbonylContact C-O 3.55Å; F569-K599 WeakPolarHBondContact CA-O 3.37Å; F569-K599 WeakPolarHBondContact CB-O 3.49Å; I570-K599 HydrophobicContact CG1-CB 4.05Å; I570-K599 HydrophobicContact CG1-CG 4.38Å; I570-K599 PolarHBondContact N-O 3.29Å; I570-K599 PolarHBondContact O-N 3.05Å; W597-K599 HydrophobicContact CE3-CB 4.36Å; W597-K599 HydrophobicContact CZ3-CB 4.22Å; K599-N601 PolarHBondContact NZ-O 3.15Å; K599-D635 IonicContact NZ-OD1 2.69Å; K599-D635 PolarHBondContact NZ-OD1 3.02Å; K599-S638 WeakPolarHBondContact CE-OG 3.45Å; K599-S638 PolarHBondContact NZ-OG 2.84Å; K599-L639 HydrophobicContact CD-CD1 4.44Å; K599-L639 HydrophobicContact CD-CD2 3.94Å; K599-L639 HydrophobicContact CD-CG 4.19Å
600	F	98.6	Very high	97.2	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	164.8	172.7	-79.1	-100	0	0	0	112.3	I535 V542 M544 L567 T568 F569 L589 I598 V610 Y612	I535-F600 HydrophobicContact CD1-CD1 4.22Å; I535-F600 HydrophobicContact CD1-CD2 3.8Å; I535-F600 HydrophobicContact CD1-CE1 4.03Å; I535-F600 HydrophobicContact CD1-CE2 3.58Å; I535-F600 HydrophobicContact CD1-CG 4.11Å; I535-F600 HydrophobicContact CD1-CZ 3.71Å; I535-F600 HydrophobicContact CG1-CD2 3.76Å; I535-F600 HydrophobicContact CG1-CE2 3.89Å; I535-F600 HydrophobicContact CG1-CG 4.27Å; I535-F600 HydrophobicContact CG2-CD2 4.27Å; I535-F600 HydrophobicContact CG2-CE2 3.83Å; V542-F600 HydrophobicContact CG1-CE2 3.96Å; V542-F600 HydrophobicContact CG1-CZ 3.89Å; M544-F600 HydrophobicContact CG-CZ 4.39Å; M544-F600 HydrophobicContact SD-CE1 4.19Å; M544-F600 HydrophobicContact SD-CZ 4.33Å; L567-F600 HydrophobicContact CB-CD1 4.19Å; L567-F600 HydrophobicContact CB-CE1 4.28Å; L567-F600 HydrophobicContact CD1-CD1 4.44Å; L567-F600 HydrophobicContact CD1-CE1 4.16Å; T568-F600 CarbonylContact O-C 3.59Å; T568-F600 WeakPolarHBondContact O-CA 3.35Å; F569-F600 HydrophobicContact CB-CD1 3.9Å; F569-F600 HydrophobicContact CB-CD2 4.16Å; F569-F600 HydrophobicContact CB-CE1 4.07Å; F569-F600 HydrophobicContact CB-CE2 4.32Å; F569-F600 HydrophobicContact CB-CG 3.96Å; F569-F600 HydrophobicContact CB-CZ 4.28Å; F569-F600 HydrophobicContact CD1-CD1 4.46Å; F569-F600 AromaticContact CD1-CE1 3.91Å; F569-F600 HydrophobicContact CD1-CE1 3.91Å; F569-F600 HydrophobicContact CD1-CZ 4.19Å; F569-F600 HydrophobicContact CG-CE1 4.25Å; F569-F600 HydrophobicContact CG-CZ 4.29Å; L589-F600 HydrophobicContact CD2-CZ 4.32Å; I598-F600 HydrophobicContact CD1-CD2 4.33Å; I598-F600 HydrophobicContact CD1-CE2 3.52Å; I598-F600 HydrophobicContact CD1-CZ 4.05Å; I598-F600 HydrophobicContact CG1-CD2 4.02Å; I598-F600 HydrophobicContact CG1-CE2 3.71Å; I598-F600 HydrophobicContact CG2-CE2 4.5Å; F600-V610 HydrophobicContact CB-CG1 4.1Å; F600-V610 HydrophobicContact CB-CG2 3.94Å; F600-Y612 HydrophobicContact CD2-CE1 4.27Å; F600-Y612 PolarHBondContact N-OH 2.93Å
601	N	98.4	Very high	97.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.174	C	C	.	.	S	Bend	trans	55.2	67.9	-174.3	-159.6	-9.9	0	0	0	112.1	T568 K599 G603 M604 N605 G606 Y608 V610	T568-N601 PolarHBondContact O-N 3.4Å; K599-N601 PolarHBondContact NZ-O 3.15Å; N601-G603 PolarHBondContact O-N 3.18Å; N601-M604 PolarHBondContact ND2-SD 2.92Å; N601-M604 VanDerWaalsContact ND2-SD 3.44Å; N601-M604 PolarHBondContact O-N 3.3Å; N601-M604 WeakPolarHBondContact OD1-CA 3.38Å; N601-N605 PolarHBondContact OD1-N 3.08Å; N601-N605 VanDerWaalsContact OD1-N 3.14Å; N601-G606 PolarHBondContact ND2-O 2.89Å; N601-G606 PolarHBondContact OD1-N 2.98Å; N601-Y608 WeakPolarHBondContact CA-OH 3.09Å; N601-Y608 HydrophobicContact CB-CD2 4.37Å; N601-Y608 HydrophobicContact CB-CE2 3.58Å; N601-Y608 PolarHBondContact ND2-O 3.34Å; N601-V610 HydrophobicContact CB-CG2 4.24Å
602	V	98.4	Very high	97.4	Very high	19 Å²	19	33.6 Å²	33.6	12%	0.115	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-65.6	122.5	-174.1	-171.6	0	0	0	0	110.2	T568 I570 V577 M604 N605 D635	T568-V602 PolarHBondContact OG1-N 2.95Å; I570-V602 HydrophobicContact CG1-CG2 4.24Å; I570-V602 HydrophobicContact CG2-CG1 4.29Å; I570-V602 HydrophobicContact CG2-CG2 3.98Å; V577-V602 HydrophobicContact CG1-CB 4.37Å; V577-V602 HydrophobicContact CG1-CG2 4.21Å; V577-V602 HydrophobicContact CG2-CG1 4.09Å; V602-M604 PolarHBondContact O-N 3.48Å; V602-N605 PolarHBondContact O-ND2 3.48Å; V602-D635 WeakPolarHBondContact CA-OD1 3.31Å
603	G	96.9	Very high	97.4	Very high	11 Å²	11	32.2 Å²	32.2	11%	0.113	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	67.7	11.1	-178.4	0	0	0	0	0	115.6	N601 D635	N601-G603 PolarHBondContact O-N 3.18Å; G603-D635 PolarHBondContact N-OD1 3.38Å
604	M	98.1	Very high	97.4	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	61.7	36.3	-175.5	-161.6	59.1	-151.7	0	0	114.1	F401 F405 M408 N601 V602	F401-M604 HydrophobicContact CB-CB 3.79Å; F401-M604 HydrophobicContact CB-CG 3.91Å; F401-M604 HydrophobicContact CG-CB 4.35Å; F405-M604 HydrophobicContact CD1-CE 4.32Å; F405-M604 HydrophobicContact CE1-CE 3.76Å; F405-M604 HydrophobicContact CE1-CG 3.77Å; F405-M604 HydrophobicContact CE1-SD 3.79Å; F405-M604 HydrophobicContact CZ-CG 3.91Å; F405-M604 HydrophobicContact CZ-SD 4.27Å; M408-M604 HydrophobicContact CE-CE 3.73Å; M408-M604 HydrophobicContact SD-CE 3.99Å; N601-M604 PolarHBondContact ND2-SD 2.92Å; N601-M604 VanDerWaalsContact ND2-SD 3.44Å; N601-M604 PolarHBondContact O-N 3.3Å; N601-M604 WeakPolarHBondContact OD1-CA 3.38Å; V602-M604 PolarHBondContact O-N 3.48Å
605	N	97.6	Very high	97.3	Very high	54 Å²	54	32.3 Å²	32.3	29%	0.289	17%	0.166	S	C	.	.			trans	-82.2	-16.4	-179.6	-74	-72.1	0	0	0	114.6	N446 M447 E450 N601 V602	N446-N605 PolarHBondContact ND2-OD1 2.86Å; M447-N605 WeakPolarHBondContact CA-O 3.3Å; M447-N605 WeakPolarHBondContact CB-O 3.41Å; E450-N605 HydrophobicContact CG-CB 4.28Å; N601-N605 PolarHBondContact OD1-N 3.08Å; N601-N605 VanDerWaalsContact OD1-N 3.14Å; V602-N605 PolarHBondContact O-ND2 3.48Å
606	G	98.2	Very high	97.2	Very high	4 Å²	4	31.7 Å²	31.7	4%	0.041	17%	0.165	C	C	.	.	S	Bend	trans	-98.6	141.9	176.8	0	0	0	0	0	112.7	N601 Y608	N601-G606 PolarHBondContact ND2-O 2.89Å; N601-G606 PolarHBondContact OD1-N 2.98Å; G606-Y608 PolarHBondContact O-N 3.33Å
607	Y	98.6	Very high	97.3	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	14%	0.14	C	C	.	.	S	Bend	trans	-82.9	61.5	178.5	-162.8	-102.8	0	0	0	111.7	C404 A407 M408 D411 K440 C443 I444 M447 W524 F530	C404-Y607 HydrophobicContact CB-CD2 4.19Å; C404-Y607 HydrophobicContact CB-CE2 4.37Å; A407-Y607 HydrophobicContact CB-CE2 4.19Å; A407-Y607 PolarHBondContact O-OH 2.89Å; M408-Y607 HydrophobicContact CE-CD1 4.49Å; M408-Y607 HydrophobicContact CE-CD2 3.9Å; M408-Y607 HydrophobicContact CE-CE2 4.08Å; M408-Y607 HydrophobicContact CE-CG 4.12Å; M408-Y607 HydrophobicContact CG-CE2 3.89Å; D411-Y607 WeakPolarHBondContact OD2-CE1 3.29Å; D411-Y607 PolarHBondContact OD2-OH 3.33Å; K440-Y607 HydrophobicContact CB-CE2 4.31Å; K440-Y607 HydrophobicContact CD-CD1 4.46Å; K440-Y607 HydrophobicContact CD-CE1 3.62Å; K440-Y607 HydrophobicContact CG-CD1 4.28Å; K440-Y607 HydrophobicContact CG-CE1 3.71Å; K440-Y607 HydrophobicContact CG-CE2 4.21Å; C443-Y607 HydrophobicContact CB-CD2 3.65Å; C443-Y607 HydrophobicContact CB-CE2 4.24Å; C443-Y607 HydrophobicContact CB-CG 4.47Å; I444-Y607 HydrophobicContact CG2-CD1 4.42Å; I444-Y607 HydrophobicContact CG2-CG 4.32Å; M447-Y607 PolarHBondContact SD-N 2.91Å; M447-Y607 VanDerWaalsContact SD-N 3.42Å; W524-Y607 HydrophobicContact CE3-CD1 4.49Å; W524-Y607 WeakPolarHBondContact CH2-O 3.42Å; W524-Y607 HydrophobicContact CZ3-CD1 4.17Å; W524-Y607 VanDerWaalsContact CZ3-O 3.23Å; W524-Y607 WeakPolarHBondContact CZ3-O 3.24Å; F530-Y607 HydrophobicContact CB-CD1 3.83Å; F530-Y607 HydrophobicContact CB-CE1 3.77Å; F530-Y607 HydrophobicContact CD1-CE1 4.03Å; F530-Y607 HydrophobicContact CG-CE1 4.2Å
608	Y	98.6	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.			trans	-154.6	151.4	178.5	59.9	-92.3	0	0	0	111.1	P531 I533 V565 L567 T568 N601 G606 V610	P531-Y608 WeakPolarHBondContact O-CB 3.29Å; I533-Y608 HydrophobicContact CB-CD2 4.4Å; I533-Y608 HydrophobicContact CG1-CD2 3.54Å; I533-Y608 HydrophobicContact CG1-CE2 4.2Å; I533-Y608 HydrophobicContact CG1-CG 4.09Å; V565-Y608 HydrophobicContact CG1-CD1 3.38Å; V565-Y608 HydrophobicContact CG1-CD2 4.49Å; V565-Y608 HydrophobicContact CG1-CE1 3.64Å; V565-Y608 HydrophobicContact CG1-CG 3.87Å; L567-Y608 WeakPolarHBondContact CA-OH 3.5Å; L567-Y608 HydrophobicContact CD2-CD2 4.22Å; L567-Y608 HydrophobicContact CD2-CE1 4.21Å; L567-Y608 HydrophobicContact CD2-CE2 3.62Å; T568-Y608 PolarHBondContact N-OH 3.08Å; N601-Y608 WeakPolarHBondContact CA-OH 3.09Å; N601-Y608 HydrophobicContact CB-CD2 4.37Å; N601-Y608 HydrophobicContact CB-CE2 3.58Å; N601-Y608 PolarHBondContact ND2-O 3.34Å; G606-Y608 PolarHBondContact O-N 3.33Å; Y608-V610 HydrophobicContact CD2-CG2 4.01Å; Y608-V610 HydrophobicContact CE2-CG2 3.91Å
609	I	98.1	Very high	97.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	162.2	173.5	64.4	167.4	0	0	0	110.8	M408 F530 P531 L532 I533 Y549 Q645	M408-I609 HydrophobicContact CE-CG2 4.32Å; M408-I609 HydrophobicContact SD-CG2 3.93Å; F530-I609 HydrophobicContact CD2-CG1 4.41Å; F530-I609 HydrophobicContact CD2-CG2 4.47Å; F530-I609 HydrophobicContact CE2-CB 4.46Å; F530-I609 HydrophobicContact CE2-CD1 4.18Å; F530-I609 HydrophobicContact CE2-CG1 3.96Å; F530-I609 HydrophobicContact CE2-CG2 3.82Å; P531-I609 PolarHBondContact O-N 2.9Å; L532-I609 HydrophobicContact CB-CD1 4.46Å; L532-I609 HydrophobicContact CB-CG1 4.17Å; L532-I609 HydrophobicContact CD1-CD1 3.98Å; L532-I609 HydrophobicContact CD1-CG1 3.78Å; I533-I609 PolarHBondContact N-O 3.37Å; Y549-I609 HydrophobicContact CD1-CD1 4.12Å; Y549-I609 HydrophobicContact CD2-CD1 3.51Å; Y549-I609 HydrophobicContact CE1-CD1 4.26Å; Y549-I609 HydrophobicContact CE2-CD1 3.69Å; Y549-I609 HydrophobicContact CG-CD1 3.73Å; Y549-I609 HydrophobicContact CG-CG1 4.5Å; I609-Q645 HydrophobicContact CD1-CB 4.43Å
610	V	98.4	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.9	-175	-170.8	0	0	0	0	110.7	I533 I535 F600 N601 Y608 Y612 N642	I533-V610 CarbonylContact O-C 3.51Å; I533-V610 VanDerWaalsContact O-CA 3.29Å; I533-V610 WeakPolarHBondContact O-CA 3.33Å; I535-V610 HydrophobicContact CG1-CG1 3.7Å; F600-V610 HydrophobicContact CB-CG1 4.1Å; F600-V610 HydrophobicContact CB-CG2 3.94Å; N601-V610 HydrophobicContact CB-CG2 4.24Å; Y608-V610 HydrophobicContact CD2-CG2 4.01Å; Y608-V610 HydrophobicContact CE2-CG2 3.91Å; V610-Y612 HydrophobicContact CB-CE2 4.18Å; V610-Y612 HydrophobicContact CG1-CD2 4.32Å; V610-Y612 HydrophobicContact CG1-CE1 4Å; V610-Y612 HydrophobicContact CG1-CE2 3.72Å; V610-N642 PolarHBondContact N-ND2 2.8Å
611	H	97.9	Very high	97.1	Very high	54 Å²	54	34.8 Å²	34.8	25%	0.25	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.6	167.7	175.1	72.1	0	0	0	109.8	L532 I533 T534 I535 W617 L646	L532-H611 HydrophobicContact CD1-CB 3.77Å; I533-H611 PolarHBondContact O-N 2.82Å; T534-H611 CarbonylContact C-O 3.47Å; T534-H611 WeakPolarHBondContact CA-O 3.48Å; I535-H611 PolarHBondContact N-O 2.76Å; H611-W617 AromaticContact CE1-NE1 3.8Å; H611-W617 AromaticContact ND1-CD1 3.9Å; H611-W617 AromaticContact ND1-NE1 3.22Å; H611-W617 PolarHBondContact ND1-NE1 3.01Å; H611-L646 HydrophobicContact CB-CD1 3.75Å; H611-L646 HydrophobicContact CB-CD2 4.05Å
612	Y	97.4	Very high	97.1	Very high	9 Å²	9	36.8 Å²	36.8	4%	0.035	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.1	175.4	-55.1	-93.3	0	0	0	108.6	I535 I598 F600 V610 W617 L620 L639	I535-Y612 HydrophobicContact CB-CD1 4.01Å; I535-Y612 HydrophobicContact CB-CE1 4.41Å; I535-Y612 HydrophobicContact CG1-CD1 4.44Å; I535-Y612 HydrophobicContact CG1-CE1 4.39Å; I535-Y612 HydrophobicContact CG2-CD1 4.17Å; I598-Y612 VanDerWaalsContact O-CE1 3.31Å; I598-Y612 WeakPolarHBondContact O-CE1 3.17Å; F600-Y612 HydrophobicContact CD2-CE1 4.27Å; F600-Y612 PolarHBondContact N-OH 2.93Å; V610-Y612 HydrophobicContact CB-CE2 4.18Å; V610-Y612 HydrophobicContact CG1-CD2 4.32Å; V610-Y612 HydrophobicContact CG1-CE1 4Å; V610-Y612 HydrophobicContact CG1-CE2 3.72Å; Y612-W617 HydrophobicContact CD2-CD2 4.41Å; Y612-W617 AromaticContact CD2-CE2 3.97Å; Y612-W617 HydrophobicContact CD2-CH2 4.49Å; Y612-W617 AromaticContact CD2-CZ2 4Å; Y612-W617 HydrophobicContact CD2-CZ2 4Å; Y612-W617 HydrophobicContact CE2-CZ2 4.45Å; Y612-W617 PolarHBondContact O-NE1 2.73Å; Y612-L620 HydrophobicContact CD1-CD1 4.12Å; Y612-L620 HydrophobicContact CD2-CD1 3.48Å; Y612-L620 VanDerWaalsContact CD2-CD1 3.48Å; Y612-L620 HydrophobicContact CE1-CD1 4.09Å; Y612-L620 HydrophobicContact CE2-CD1 3.47Å; Y612-L620 VanDerWaalsContact CE2-CD1 3.47Å; Y612-L620 HydrophobicContact CG-CD1 3.84Å; Y612-L639 HydrophobicContact CE2-CD2 4.36Å
613	E	94.1	Very high	97	Very high	78 Å²	78	36.5 Å²	36.5	36%	0.364	21%	0.209	S	C	.	.			trans	-77.8	174.6	176.1	-74	-176.6	164.6	0	0	112.1	T534 I535 T536 D615 G616	T534-E613 HydrophobicContact CG2-CG 3.68Å; T534-E613 WeakPolarHBondContact CG2-OE1 3.43Å; I535-E613 PolarHBondContact O-N 2.72Å; T536-E613 WeakPolarHBondContact CB-OE2 3.29Å; T536-E613 HydrophobicContact CG2-CB 4.3Å; T536-E613 VanDerWaalsContact CG2-OE2 3.28Å; T536-E613 WeakPolarHBondContact CG2-OE2 3.48Å; T536-E613 PolarHBondContact OG1-OE2 3.22Å; E613-D615 PolarHBondContact O-N 3.02Å; E613-G616 PolarHBondContact O-N 2.77Å; E613-G616 VanDerWaalsContact O-N 3.08Å
614	D	94.8	Very high	97.1	Very high	103 Å²	103	38.5 Å²	38.5	55%	0.551	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	-125.4	178.7	-51.5	-72.5	0	0	0	112.7	R538 G616	R538-D614 IonicContact CZ-OD2 2.89Å; R538-D614 IonicContact NH1-OD2 2.66Å; R538-D614 PolarHBondContact NH1-OD2 2.88Å; R538-D614 IonicContact NH2-OD1 3.35Å; R538-D614 PolarHBondContact NH2-OD1 2.99Å; R538-D614 IonicContact NH2-OD2 2.75Å; R538-D614 PolarHBondContact NH2-OD2 3.01Å; D614-G616 VanDerWaalsContact C-N 3.32Å
615	D	93.6	Very high	97	Very high	118 Å²	118	46.7 Å²	46.7	63%	0.631	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	5.4	179.5	64.2	-26.3	0	0	0	113.5	E613 W617 D618 S619	E613-D615 PolarHBondContact O-N 3.02Å; D615-W617 PolarHBondContact O-N 3.29Å; D615-D618 PolarHBondContact O-N 2.86Å; D615-D618 VanDerWaalsContact O-N 3.09Å; D615-S619 PolarHBondContact O-N 2.73Å
616	G	94.6	Very high	97	Very high	17 Å²	17	47 Å²	47	18%	0.175	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-41.2	-174.1	0	0	0	0	0	114.3	E613 D614 L620	E613-G616 PolarHBondContact O-N 2.77Å; E613-G616 VanDerWaalsContact O-N 3.08Å; D614-G616 VanDerWaalsContact C-N 3.32Å; G616-L620 WeakPolarHBondContact O-CB 3.36Å; G616-L620 WeakPolarHBondContact O-CG 3.19Å; G616-L620 PolarHBondContact O-N 3.06Å
617	W	96.9	Very high	96.9	Very high	49 Å²	49	50.8 Å²	50.8	19%	0.186	29%	0.29	C	S	.	.	H	α-helix	trans	-70.6	-33.2	174.4	-81.4	108.8	0	0	0	113.3	H611 Y612 D615 T621 L639 N642 A643 L646	H611-W617 AromaticContact CE1-NE1 3.8Å; H611-W617 AromaticContact ND1-CD1 3.9Å; H611-W617 AromaticContact ND1-NE1 3.22Å; H611-W617 PolarHBondContact ND1-NE1 3.01Å; Y612-W617 HydrophobicContact CD2-CD2 4.41Å; Y612-W617 AromaticContact CD2-CE2 3.97Å; Y612-W617 HydrophobicContact CD2-CH2 4.49Å; Y612-W617 AromaticContact CD2-CZ2 4Å; Y612-W617 HydrophobicContact CD2-CZ2 4Å; Y612-W617 HydrophobicContact CE2-CZ2 4.45Å; Y612-W617 PolarHBondContact O-NE1 2.73Å; D615-W617 PolarHBondContact O-N 3.29Å; W617-T621 WeakPolarHBondContact O-CB 3.26Å; W617-T621 PolarHBondContact O-N 3.01Å; W617-T621 PolarHBondContact O-OG1 3.42Å; W617-L639 HydrophobicContact CH2-CD2 4.45Å; W617-L639 HydrophobicContact CZ3-CD2 4.19Å; W617-N642 HydrophobicContact CH2-CB 4.04Å; W617-A643 HydrophobicContact CH2-CB 4.07Å; W617-A643 HydrophobicContact CZ3-CB 3.85Å; W617-L646 HydrophobicContact CH2-CD1 4.45Å; W617-L646 HydrophobicContact CZ2-CD1 3.52Å
618	D	96.9	Very high	96.8	Very high	124 Å²	124	55.1 Å²	55.1	66%	0.663	31%	0.31	S	S	*	.	H	α-helix	trans	-71	-40.6	176.2	-79.2	-29.7	0	0	0	111	D615 T621 G622	D615-D618 PolarHBondContact O-N 2.86Å; D615-D618 VanDerWaalsContact O-N 3.09Å; D618-T621 PolarHBondContact O-N 2.89Å; D618-G622 PolarHBondContact O-N 2.85Å
619	S	96.7	Very high	96.7	Very high	36 Å²	36	60.4 Å²	60.4	25%	0.252	34%	0.343	S	S	.	.	H	α-helix	trans	-59.5	-50.2	172.7	179	0	0	0	0	111.5	E596 D615 T621 G622 L623	E596-S619 PolarHBondContact O-OG 3.44Å; D615-S619 PolarHBondContact O-N 2.73Å; S619-T621 VanDerWaalsContact C-N 3.34Å; S619-T621 PolarHBondContact O-N 3.07Å; S619-G622 PolarHBondContact O-N 3.16Å; S619-L623 PolarHBondContact O-N 3.04Å
620	L	97.5	Very high	96.7	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.021	36%	0.362	C	S	.	.	H	α-helix	trans	-65.8	-34.4	177	-69.9	166.8	0	0	0	112.6	W597 Y612 G616 L623 L624 L639	W597-L620 HydrophobicContact CB-CD2 4.46Å; Y612-L620 HydrophobicContact CD1-CD1 4.12Å; Y612-L620 HydrophobicContact CD2-CD1 3.48Å; Y612-L620 VanDerWaalsContact CD2-CD1 3.48Å; Y612-L620 HydrophobicContact CE1-CD1 4.09Å; Y612-L620 HydrophobicContact CE2-CD1 3.47Å; Y612-L620 VanDerWaalsContact CE2-CD1 3.47Å; Y612-L620 HydrophobicContact CG-CD1 3.84Å; G616-L620 WeakPolarHBondContact O-CB 3.36Å; G616-L620 WeakPolarHBondContact O-CG 3.19Å; G616-L620 PolarHBondContact O-N 3.06Å; L620-L623 HydrophobicContact CD2-CD2 4.35Å; L620-L623 WeakPolarHBondContact O-CB 3.43Å; L620-L623 PolarHBondContact O-N 3.43Å; L620-L624 WeakPolarHBondContact O-CG 3.36Å; L620-L624 PolarHBondContact O-N 3.33Å; L620-L639 HydrophobicContact CD1-CD2 3.94Å; L620-L639 HydrophobicContact CD2-CD1 4.43Å
621	T	97.7	Very high	96.6	Very high	48 Å²	48	63 Å²	63	29%	0.294	36%	0.363	S	S	.	.	H	α-helix	trans	-68.3	-37.3	173.1	-62.8	0	0	0	0	111.7	W617 D618 S619 L624 K625	W617-T621 WeakPolarHBondContact O-CB 3.26Å; W617-T621 PolarHBondContact O-N 3.01Å; W617-T621 PolarHBondContact O-OG1 3.42Å; D618-T621 PolarHBondContact O-N 2.89Å; S619-T621 VanDerWaalsContact C-N 3.34Å; S619-T621 PolarHBondContact O-N 3.07Å; T621-L624 PolarHBondContact O-N 3.49Å; T621-K625 HydrophobicContact CG2-CD 4.11Å; T621-K625 WeakPolarHBondContact O-CG 3.21Å; T621-K625 PolarHBondContact O-N 2.88Å
622	G	97.8	Very high	96.6	Very high	42 Å²	42	62.9 Å²	62.9	43%	0.433	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-46	171.7	0	0	0	0	0	111.8	D618 S619 L624 K625 G626	D618-G622 PolarHBondContact O-N 2.85Å; S619-G622 PolarHBondContact O-N 3.16Å; G622-L624 PolarHBondContact O-N 3.17Å; G622-K625 PolarHBondContact O-N 3.18Å; G622-K625 VanDerWaalsContact O-N 3.16Å; G622-G626 PolarHBondContact O-N 2.8Å
623	L	97.3	Very high	96.7	Very high	14 Å²	14	66 Å²	66	7%	0.073	39%	0.392	C	S	.	.	H	α-helix	trans	-56.5	-46.9	174.5	-173.2	65.8	0	0	0	111.7	W597 S619 L620 K625 G626 T627 H628 A630 V631	W597-L623 HydrophobicContact CD2-CD2 3.72Å; W597-L623 HydrophobicContact CE3-CD2 4.24Å; W597-L623 HydrophobicContact CG-CD2 3.98Å; W597-L623 HydrophobicContact CZ2-CD1 4.45Å; W597-L623 HydrophobicContact CZ2-CD2 4.09Å; S619-L623 PolarHBondContact O-N 3.04Å; L620-L623 HydrophobicContact CD2-CD2 4.35Å; L620-L623 WeakPolarHBondContact O-CB 3.43Å; L620-L623 PolarHBondContact O-N 3.43Å; L623-K625 VanDerWaalsContact C-N 3.34Å; L623-K625 PolarHBondContact O-N 2.71Å; L623-G626 PolarHBondContact O-N 2.87Å; L623-T627 CarbonylContact O-C 3.52Å; L623-T627 PolarHBondContact O-N 3.28Å; L623-H628 PolarHBondContact O-N 3.02Å; L623-A630 HydrophobicContact CD1-CB 3.86Å; L623-V631 HydrophobicContact CD2-CG1 4.07Å
624	L	97.6	Very high	96.8	Very high	52 Å²	52	63.6 Å²	63.6	27%	0.272	38%	0.382	S	S	.	.	H	α-helix	trans	-67.5	-28.4	177.7	-69.4	175.1	0	0	0	113.8	L620 T621 G622 H628 R636 L639	L620-L624 WeakPolarHBondContact O-CG 3.36Å; L620-L624 PolarHBondContact O-N 3.33Å; T621-L624 PolarHBondContact O-N 3.49Å; G622-L624 PolarHBondContact O-N 3.17Å; L624-H628 HydrophobicContact CD2-CB 4.45Å; L624-H628 WeakPolarHBondContact O-CB 3.2Å; L624-R636 HydrophobicContact CD2-CB 4.29Å; L624-R636 HydrophobicContact CD2-CG 3.67Å; L624-L639 HydrophobicContact CD1-CB 4.26Å; L624-L639 HydrophobicContact CD1-CD1 4.09Å; L624-L639 HydrophobicContact CD2-CD1 4.31Å; L624-L639 HydrophobicContact CG-CD1 4.36Å
625	K	97.6	Very high	97	Very high	174 Å²	174	58.9 Å²	58.9	76%	0.757	36%	0.356	S	S	*	.	H	α-helix	trans	-84.5	-30.5	176.7	-73.2	172.3	-177.8	169.6	0	113.2	T621 G622 L623	T621-K625 HydrophobicContact CG2-CD 4.11Å; T621-K625 WeakPolarHBondContact O-CG 3.21Å; T621-K625 PolarHBondContact O-N 2.88Å; G622-K625 PolarHBondContact O-N 3.18Å; G622-K625 VanDerWaalsContact O-N 3.16Å; L623-K625 VanDerWaalsContact C-N 3.34Å; L623-K625 PolarHBondContact O-N 2.71Å
626	G	96.8	Very high	97.2	Very high	61 Å²	61	55.9 Å²	55.9	63%	0.629	34%	0.336	S	S	*	.	H	α-helix	trans	-92.6	-55.3	-178.1	0	0	0	0	0	113.9	G622 L623	G622-G626 PolarHBondContact O-N 2.8Å; L623-G626 PolarHBondContact O-N 2.87Å
627	T	96.1	Very high	97.4	Very high	82 Å²	82	56.3 Å²	56.3	50%	0.503	34%	0.338	S	S	.	.			trans	-141.8	58.6	-170	46.3	0	0	0	0	111.2	L623 T629 A630	L623-T627 CarbonylContact O-C 3.52Å; L623-T627 PolarHBondContact O-N 3.28Å; T627-T629 PolarHBondContact O-N 3.43Å; T627-A630 VanDerWaalsContact O-CB 3.22Å; T627-A630 WeakPolarHBondContact O-CB 3.41Å; T627-A630 PolarHBondContact O-N 3.18Å
628	H	96.7	Very high	97.5	Very high	93 Å²	93	54 Å²	54	43%	0.431	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-55.5	-18.7	-177.3	75.2	79.1	0	0	0	115.1	L623 L624 A630 R636	L623-H628 PolarHBondContact O-N 3.02Å; L624-H628 HydrophobicContact CD2-CB 4.45Å; L624-H628 WeakPolarHBondContact O-CB 3.2Å; H628-A630 VanDerWaalsContact C-N 3.28Å; H628-R636 WeakPolarHBondContact O-CD 3.46Å; H628-R636 PolarHBondContact O-NH1 3.4Å
629	T	97.3	Very high	97.5	Very high	110 Å²	110	48.3 Å²	48.3	68%	0.675	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-76.8	-8.2	174.9	49.2	0	0	0	0	114.2	T627 V631	T627-T629 PolarHBondContact O-N 3.43Å; T629-V631 PolarHBondContact O-N 2.7Å
630	A	96.8	Very high	97.6	Very high	49 Å²	49	51.1 Å²	51.1	41%	0.405	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-68	-14.2	174.7	0	0	0	0	0	113.7	W597 L623 T627 H628	W597-A630 HydrophobicContact CZ2-CB 4.37Å; L623-A630 HydrophobicContact CD1-CB 3.86Å; T627-A630 VanDerWaalsContact O-CB 3.22Å; T627-A630 WeakPolarHBondContact O-CB 3.41Å; T627-A630 PolarHBondContact O-N 3.18Å; H628-A630 VanDerWaalsContact C-N 3.28Å
631	V	97.6	Very high	97.6	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.03	32%	0.318	C	S	.	.	S	Bend	trans	-129.1	156.7	172.1	-61.7	0	0	0	0	110.2	I570 W597 L623 T629 D635 R636	I570-V631 HydrophobicContact CD1-CG1 4.25Å; W597-V631 HydrophobicContact CH2-CG1 4Å; W597-V631 HydrophobicContact CZ3-CG1 4.16Å; L623-V631 HydrophobicContact CD2-CG1 4.07Å; T629-V631 PolarHBondContact O-N 2.7Å; V631-D635 HydrophobicContact CB-CB 3.84Å; V631-D635 HydrophobicContact CG2-CB 4.12Å; V631-R636 HydrophobicContact CG2-CG 3.8Å; V631-R636 PolarHBondContact O-NH1 2.82Å
632	S	97.8	Very high	97.5	Very high	52 Å²	52	50.4 Å²	50.4	36%	0.364	31%	0.305	S	S	.	.			trans	-64	164.9	-176.3	79.2	0	0	0	0	112.9	N634 D635 R636	S632-N634 VanDerWaalsContact C-N 3.26Å; S632-N634 PolarHBondContact O-N 2.88Å; S632-N634 PolarHBondContact OG-N 3.21Å; S632-D635 WeakPolarHBondContact CB-OD2 3.49Å; S632-D635 PolarHBondContact N-OD2 2.82Å; S632-D635 PolarHBondContact O-N 2.84Å; S632-D635 VanDerWaalsContact OG-CG 3.29Å; S632-D635 PolarHBondContact OG-N 2.86Å; S632-D635 PolarHBondContact OG-OD2 3.04Å; S632-R636 WeakPolarHBondContact O-CG 3.44Å; S632-R636 PolarHBondContact O-N 2.73Å
633	S	98.1	Very high	97.5	Very high	75 Å²	75	50.1 Å²	50.1	52%	0.524	30%	0.298	S	S	.	.	H	α-helix	trans	-57.6	-39.7	174.1	-60.6	0	0	0	0	112.6	R636 A637	S633-R636 PolarHBondContact O-N 2.94Å; S633-R636 PolarHBondContact OG-NH2 3.22Å; S633-A637 PolarHBondContact O-N 3.47Å
634	N	97.6	Very high	97.4	Very high	28 Å²	28	57 Å²	57	15%	0.15	33%	0.328	C	S	.	.	H	α-helix	trans	-74.9	-33.5	-179	-57.1	13.1	0	0	0	110.6	F401 S632 A637 S638	F401-N634 HydrophobicContact CD1-CB 3.88Å; F401-N634 WeakPolarHBondContact CD1-ND2 3.22Å; F401-N634 HydrophobicContact CE1-CB 3.86Å; F401-N634 WeakPolarHBondContact CE1-OD1 3.36Å; S632-N634 VanDerWaalsContact C-N 3.26Å; S632-N634 PolarHBondContact O-N 2.88Å; S632-N634 PolarHBondContact OG-N 3.21Å; N634-A637 PolarHBondContact O-N 2.93Å; N634-S638 PolarHBondContact O-N 2.93Å
635	D	98.4	Very high	97.1	Very high	3 Å²	3	56 Å²	56	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-43.1	170.2	-73.4	-63.2	0	0	0	111.8	K599 V602 G603 V631 S632 A637 S638 L639	K599-D635 IonicContact NZ-OD1 2.69Å; K599-D635 PolarHBondContact NZ-OD1 3.02Å; V602-D635 WeakPolarHBondContact CA-OD1 3.31Å; G603-D635 PolarHBondContact N-OD1 3.38Å; V631-D635 HydrophobicContact CB-CB 3.84Å; V631-D635 HydrophobicContact CG2-CB 4.12Å; S632-D635 WeakPolarHBondContact CB-OD2 3.49Å; S632-D635 PolarHBondContact N-OD2 2.82Å; S632-D635 PolarHBondContact O-N 2.84Å; S632-D635 VanDerWaalsContact OG-CG 3.29Å; S632-D635 PolarHBondContact OG-N 2.86Å; S632-D635 PolarHBondContact OG-OD2 3.04Å; D635-A637 PolarHBondContact O-N 2.81Å; D635-S638 WeakPolarHBondContact CA-OG 3.36Å; D635-S638 PolarHBondContact O-N 2.8Å; D635-S638 PolarHBondContact O-OG 3.34Å; D635-L639 WeakPolarHBondContact O-CG 3.18Å; D635-L639 PolarHBondContact O-N 2.89Å
636	R	98.4	Very high	96.8	Very high	56 Å²	56	49.6 Å²	49.6	21%	0.211	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-44.4	173.7	-64.8	-165.5	-67.1	-74.2	-5.2	111.7	L624 H628 V631 S632 S633 S638 L639 I640	L624-R636 HydrophobicContact CD2-CB 4.29Å; L624-R636 HydrophobicContact CD2-CG 3.67Å; H628-R636 WeakPolarHBondContact O-CD 3.46Å; H628-R636 PolarHBondContact O-NH1 3.4Å; V631-R636 HydrophobicContact CG2-CG 3.8Å; V631-R636 PolarHBondContact O-NH1 2.82Å; S632-R636 WeakPolarHBondContact O-CG 3.44Å; S632-R636 PolarHBondContact O-N 2.73Å; S633-R636 PolarHBondContact O-N 2.94Å; S633-R636 PolarHBondContact OG-NH2 3.22Å; R636-S638 VanDerWaalsContact C-N 3.34Å; R636-S638 PolarHBondContact O-N 2.62Å; R636-L639 PolarHBondContact O-N 3.02Å; R636-I640 WeakPolarHBondContact O-CG1 3.48Å; R636-I640 PolarHBondContact O-N 3.18Å; R636-I640 VanDerWaalsContact O-N 3.09Å
637	A	98.1	Very high	96.4	Very high	25 Å²	25	51.3 Å²	51.3	21%	0.207	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-42.2	176.1	0	0	0	0	0	111.9	F401 S633 N634 D635 L639 I640 N641	F401-A637 HydrophobicContact CD2-CB 4.48Å; F401-A637 HydrophobicContact CE2-CB 3.54Å; F401-A637 HydrophobicContact CZ-CB 3.6Å; S633-A637 PolarHBondContact O-N 3.47Å; N634-A637 PolarHBondContact O-N 2.93Å; D635-A637 PolarHBondContact O-N 2.81Å; A637-L639 PolarHBondContact O-N 2.72Å; A637-I640 PolarHBondContact O-N 2.96Å; A637-N641 PolarHBondContact O-N 2.85Å
638	S	97.9	Very high	95	Very high	1 Å²	1	56 Å²	56	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-39.6	175.1	75.8	0	0	0	0	113.4	K599 N634 D635 R636 N641 N642	K599-S638 WeakPolarHBondContact CE-OG 3.45Å; K599-S638 PolarHBondContact NZ-OG 2.84Å; N634-S638 PolarHBondContact O-N 2.93Å; D635-S638 WeakPolarHBondContact CA-OG 3.36Å; D635-S638 PolarHBondContact O-N 2.8Å; D635-S638 PolarHBondContact O-OG 3.34Å; R636-S638 VanDerWaalsContact C-N 3.34Å; R636-S638 PolarHBondContact O-N 2.62Å; S638-N641 PolarHBondContact O-N 3.48Å; S638-N642 VanDerWaalsContact O-CB 3.26Å; S638-N642 WeakPolarHBondContact O-CB 3.28Å; S638-N642 PolarHBondContact O-N 3.12Å; S638-N642 PolarHBondContact O-OD1 2.62Å; S638-N642 VanDerWaalsContact O-OD1 3.13Å
639	L	98.3	Very high	92.9	Very high	4 Å²	4	57 Å²	57	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-65.5	-40.1	176.7	-73.1	171.8	0	0	0	111.7	K599 Y612 W617 L620 L624 D635 R636 A637 A643	K599-L639 HydrophobicContact CD-CD1 4.44Å; K599-L639 HydrophobicContact CD-CD2 3.94Å; K599-L639 HydrophobicContact CD-CG 4.19Å; Y612-L639 HydrophobicContact CE2-CD2 4.36Å; W617-L639 HydrophobicContact CH2-CD2 4.45Å; W617-L639 HydrophobicContact CZ3-CD2 4.19Å; L620-L639 HydrophobicContact CD1-CD2 3.94Å; L620-L639 HydrophobicContact CD2-CD1 4.43Å; L624-L639 HydrophobicContact CD1-CB 4.26Å; L624-L639 HydrophobicContact CD1-CD1 4.09Å; L624-L639 HydrophobicContact CD2-CD1 4.31Å; L624-L639 HydrophobicContact CG-CD1 4.36Å; D635-L639 WeakPolarHBondContact O-CG 3.18Å; D635-L639 PolarHBondContact O-N 2.89Å; R636-L639 PolarHBondContact O-N 3.02Å; A637-L639 PolarHBondContact O-N 2.72Å; L639-A643 WeakPolarHBondContact O-CB 3.47Å; L639-A643 PolarHBondContact O-N 3.08Å
640	I	98.2	Very high	90.1	Very high	95 Å²	95	56.4 Å²	56.4	49%	0.487	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-51	175.9	-65.1	163.9	0	0	0	110.4	R636 A637 A643 F644	R636-I640 WeakPolarHBondContact O-CG1 3.48Å; R636-I640 PolarHBondContact O-N 3.18Å; R636-I640 VanDerWaalsContact O-N 3.09Å; A637-I640 PolarHBondContact O-N 2.96Å; I640-A643 PolarHBondContact O-N 3.09Å; I640-F644 HydrophobicContact CG2-CD2 4.03Å; I640-F644 HydrophobicContact CG2-CE2 4.09Å; I640-F644 WeakPolarHBondContact O-CD2 3.42Å; I640-F644 PolarHBondContact O-N 3.4Å
641	N	97.3	Very high	87.3	Confident	34 Å²	34	59.4 Å²	59.4	18%	0.182	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-53.2	-179.9	-175.1	-77.3	0	0	0	111.4	F405 A637 S638 A643 F644 Q645	F405-N641 HydrophobicContact CD1-CB 4.12Å; F405-N641 VanDerWaalsContact CD1-CG 3.45Å; F405-N641 WeakPolarHBondContact CD1-ND2 3.34Å; F405-N641 HydrophobicContact CD2-CB 4.24Å; F405-N641 HydrophobicContact CE1-CB 3.62Å; F405-N641 VanDerWaalsContact CE1-CG 3.44Å; F405-N641 HydrophobicContact CE2-CB 3.75Å; F405-N641 HydrophobicContact CG-CB 4.42Å; F405-N641 VanDerWaalsContact CG-ND2 3.29Å; F405-N641 WeakPolarHBondContact CG-ND2 3.4Å; F405-N641 HydrophobicContact CZ-CB 3.44Å; F405-N641 VanDerWaalsContact CZ-CB 3.44Å; A637-N641 PolarHBondContact O-N 2.85Å; S638-N641 PolarHBondContact O-N 3.48Å; N641-A643 VanDerWaalsContact C-N 3.29Å; N641-A643 PolarHBondContact O-N 3.22Å; N641-F644 PolarHBondContact O-N 3.45Å; N641-F644 VanDerWaalsContact O-N 3.15Å; N641-Q645 WeakPolarHBondContact O-CG 3.39Å; N641-Q645 PolarHBondContact O-N 3.31Å; N641-Q645 WeakPolarHBondContact OD1-CG 3.46Å
642	N	96.9	Very high	84.2	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-58.7	-40.9	-179.5	-68.7	14.9	0	0	0	111.8	V610 W617 S638 F644 Q645 L646	V610-N642 PolarHBondContact N-ND2 2.8Å; W617-N642 HydrophobicContact CH2-CB 4.04Å; S638-N642 VanDerWaalsContact O-CB 3.26Å; S638-N642 WeakPolarHBondContact O-CB 3.28Å; S638-N642 PolarHBondContact O-N 3.12Å; S638-N642 PolarHBondContact O-OD1 2.62Å; S638-N642 VanDerWaalsContact O-OD1 3.13Å; N642-F644 PolarHBondContact O-N 3.35Å; N642-Q645 PolarHBondContact O-N 2.88Å; N642-L646 WeakPolarHBondContact O-CB 3.5Å; N642-L646 WeakPolarHBondContact O-CD1 3.46Å; N642-L646 WeakPolarHBondContact O-CG 3.43Å; N642-L646 PolarHBondContact O-N 2.88Å
643	A	96.1	Very high	81.5	Confident	36 Å²	36	65 Å²	65	30%	0.298	39%	0.386	S	S	.	.	H	α-helix	trans	-59.1	-48.2	177.1	0	0	0	0	0	111.5	W617 L639 I640 N641 L646 V647	W617-A643 HydrophobicContact CH2-CB 4.07Å; W617-A643 HydrophobicContact CZ3-CB 3.85Å; L639-A643 WeakPolarHBondContact O-CB 3.47Å; L639-A643 PolarHBondContact O-N 3.08Å; I640-A643 PolarHBondContact O-N 3.09Å; N641-A643 VanDerWaalsContact C-N 3.29Å; N641-A643 PolarHBondContact O-N 3.22Å; A643-L646 PolarHBondContact O-N 2.75Å; A643-V647 WeakPolarHBondContact O-CG2 3.24Å; A643-V647 PolarHBondContact O-N 2.66Å; A643-V647 VanDerWaalsContact O-N 3.17Å
644	F	95.2	Very high	78.3	Confident	158 Å²	158	71.3 Å²	71.3	69%	0.693	43%	0.428	S	S	*	.	H	α-helix	trans	-69.8	-34.2	178.9	-79.6	-72.7	0	0	0	113.6	I640 N641 N642 L646 V647	I640-F644 HydrophobicContact CG2-CD2 4.03Å; I640-F644 HydrophobicContact CG2-CE2 4.09Å; I640-F644 WeakPolarHBondContact O-CD2 3.42Å; I640-F644 PolarHBondContact O-N 3.4Å; N641-F644 PolarHBondContact O-N 3.45Å; N641-F644 VanDerWaalsContact O-N 3.15Å; N642-F644 PolarHBondContact O-N 3.35Å; F644-L646 VanDerWaalsContact C-N 3.27Å; F644-L646 PolarHBondContact O-N 2.92Å; F644-V647 PolarHBondContact O-N 3.21Å
645	Q	91.4	Very high	77.3	Confident	30 Å²	30	73.5 Å²	73.5	14%	0.14	44%	0.442	C	S	.	.	H	α-helix	trans	-64	-32.1	172.3	-69.2	-75.3	19	0	0	112.3	Y549 I609 N641 N642	Y549-Q645 PolarHBondContact OH-O 3.35Å; Y549-Q645 PolarHBondContact OH-OE1 2.7Å; I609-Q645 HydrophobicContact CD1-CB 4.43Å; N641-Q645 WeakPolarHBondContact O-CG 3.39Å; N641-Q645 PolarHBondContact O-N 3.31Å; N641-Q645 WeakPolarHBondContact OD1-CG 3.46Å; N642-Q645 PolarHBondContact O-N 2.88Å
646	L	91.8	Very high	76.2	Confident	40 Å²	40	77.2 Å²	77.2	21%	0.209	46%	0.464	C	S	.	.	H	α-helix	trans	-83.3	-15.3	178.6	-68.1	165.5	0	0	0	113.5	L532 H611 W617 N642 A643 F644 R648	L532-L646 HydrophobicContact CD1-CD2 3.97Å; L532-L646 HydrophobicContact CD2-CD2 4.12Å; H611-L646 HydrophobicContact CB-CD1 3.75Å; H611-L646 HydrophobicContact CB-CD2 4.05Å; W617-L646 HydrophobicContact CH2-CD1 4.45Å; W617-L646 HydrophobicContact CZ2-CD1 3.52Å; N642-L646 WeakPolarHBondContact O-CB 3.5Å; N642-L646 WeakPolarHBondContact O-CD1 3.46Å; N642-L646 WeakPolarHBondContact O-CG 3.43Å; N642-L646 PolarHBondContact O-N 2.88Å; A643-L646 PolarHBondContact O-N 2.75Å; F644-L646 VanDerWaalsContact C-N 3.27Å; F644-L646 PolarHBondContact O-N 2.92Å; L646-R648 PolarHBondContact O-N 3.18Å; L646-R648 VanDerWaalsContact O-N 3.12Å
647	V	88.1	Confident	75	Confident	98 Å²	98	78.3 Å²	78.3	59%	0.594	48%	0.478	S	S	*	.			trans	-68	109.4	171.9	171.3	0	0	0	0	109.1	A643 F644	A643-V647 WeakPolarHBondContact O-CG2 3.24Å; A643-V647 PolarHBondContact O-N 2.66Å; A643-V647 VanDerWaalsContact O-N 3.17Å; F644-V647 PolarHBondContact O-N 3.21Å
648	R	66.4	Low	73.6	Confident	181 Å²	181	81.5 Å²	81.5	68%	0.683	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-76.3	135.8	171.1	-58.6	-176.1	-172.1	-175.7	3.1	109.2	L646 S650	L646-R648 PolarHBondContact O-N 3.18Å; L646-R648 VanDerWaalsContact O-N 3.12Å; R648-S650 PolarHBondContact O-N 2.86Å
649	P	53.4	Low	72.1	Confident	113 Å²	113	86.5 Å²	86.5	73%	0.734	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-60	123.4	165.1	25.8	-31.1	0	0	0	107.9	S651	P649-S651 PolarHBondContact O-N 2.77Å
650	S	38.3	Very low	70.3	Confident	98 Å²	98	92 Å²	92	69%	0.685	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-60.5	123.5	173	53.9	0	0	0	0	108.7	R648 S652	R648-S650 PolarHBondContact O-N 2.86Å; S650-S652 PolarHBondContact O-N 3.08Å
651	S	38.4	Very low	68.4	Low	112 Å²	112	91.8 Å²	91.8	78%	0.783	56%	0.564	S	S	*	*			trans	-69.6	66	165.6	37.8	0	0	0	0	110	P649 G653	P649-S651 PolarHBondContact O-N 2.77Å; S651-G653 PolarHBondContact O-N 3.23Å; S651-G653 VanDerWaalsContact O-N 3.08Å
652	S	32.6	Very low	66.1	Low	97 Å²	97	96.2 Å²	96.2	68%	0.678	59%	0.593	S	S	*	*			trans	-63.4	105.4	163.4	52.6	0	0	0	0	107.4	S650	S650-S652 PolarHBondContact O-N 3.08Å
653	G	40.2	Very low	63.6	Low	76 Å²	76	103.9 Å²	103.9	78%	0.784	64%	0.641	S	S	*	*			trans	-58.3	138.5	-175.1	0	0	0	0	0	113	S651	S651-G653 PolarHBondContact O-N 3.23Å; S651-G653 VanDerWaalsContact O-N 3.08Å
654	C	30.9	Very low	60.6	Low	208 Å²	208	110.1 Å²	110.1	100%	1.405	67%	0.672	S	S	*	*			trans	-104	0	154.5	-75.8	0	0	0	0	108.6

Retrieved 654 of 654 residues in 333.6 ms (Link to these results)

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