A0A096LYN7_POEFO Loading...

Relaxin family peptide receptor 1

AlphaFold DB , UniProt , Accession A0A096LYN7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 791 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	45.6	Very low	37	Very low	246 Å²	246	157.2 Å²	157.2	100%	1.212	79%	0.794	S	S	*	*				0	63.3	0	-167.7	-170.2	-141.3	0	0	109.6
2	Q	37.2	Very low	36.9	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	78%	0.782	S	S	*	*			trans	-153.1	10.5	-173.8	-126.4	169.9	-0.7	0	0	114.5
3	V	40.4	Very low	36.7	Very low	125 Å²	125	148.5 Å²	148.5	76%	0.758	79%	0.786	S	S	*	*	S	Bend	trans	-113	-17	179.1	-178.1	0	0	0	0	111.7
4	Y	37	Very low	36.5	Very low	211 Å²	211	147.1 Å²	147.1	83%	0.827	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-11.3	-178.1	-106	-89.3	0	0	0	115.2
5	M	36.9	Very low	36.3	Very low	154 Å²	154	143.6 Å²	143.6	76%	0.759	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-13.5	179.5	-82.8	-63.9	-160.1	0	0	114.2
6	A	35.8	Very low	36.1	Very low	77 Å²	77	144.9 Å²	144.9	64%	0.636	80%	0.798	S	S	*	*	S	Bend	trans	-83.3	-19.4	-175.8	0	0	0	0	0	114.1
7	V	37.3	Very low	35.7	Very low	108 Å²	108	146.2 Å²	146.2	66%	0.655	80%	0.804	S	S	*	*	S	Bend	trans	-86.1	-24.3	-175.5	-178.1	0	0	0	0	112.5
8	I	39.2	Very low	35.3	Very low	126 Å²	126	145.7 Å²	145.7	65%	0.646	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-75.8	-26	-176.8	-64.2	177.4	0	0	0	112.1	A10	I8-A10 PolarHBondContact O-N 2.99Å
9	F	33.3	Very low	34.9	Very low	190 Å²	190	144.9 Å²	144.9	83%	0.833	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-83.7	-2.8	-178.8	-101.4	-87.2	0	0	0	115.4
10	A	33.3	Very low	34.9	Very low	78 Å²	78	147.6 Å²	147.6	65%	0.645	81%	0.812	S	S	*	*	G	3₁₀ helix	trans	-95.2	-11.8	-176.7	0	0	0	0	0	115	I8	I8-A10 PolarHBondContact O-N 2.99Å
11	Y	31.4	Very low	34.8	Very low	226 Å²	226	149.1 Å²	149.1	89%	0.886	81%	0.813	S	S	*	*	S	Bend	trans	-108.3	24.5	177.7	-86.5	-83.5	0	0	0	113
12	G	35.4	Very low	34.4	Very low	63 Å²	63	147.3 Å²	147.3	65%	0.649	80%	0.798	S	S	*	*	S	Bend	trans	-104.3	2.3	-173.1	0	0	0	0	0	116.9
13	V	34.3	Very low	34.8	Very low	138 Å²	138	141.6 Å²	141.6	84%	0.836	79%	0.79	S	S	*	*	S	Bend	trans	-146.4	83.2	176.8	-170.2	0	0	0	0	111.2
14	S	33.6	Very low	35.5	Very low	130 Å²	130	141.7 Å²	141.7	91%	0.909	79%	0.791	S	S	*	*			trans	-161.2	53.6	166.5	-79.6	0	0	0	0	111.5
15	A	33.5	Very low	36.5	Very low	94 Å²	94	133 Å²	133	78%	0.777	76%	0.76	S	S	*	*			trans	-151.7	70.5	174.8	0	0	0	0	0	111.2
16	L	33.7	Very low	37.6	Very low	165 Å²	165	129.5 Å²	129.5	86%	0.864	75%	0.75	S	S	*	*			trans	-154.9	86.3	158.7	-143.4	86.5	0	0	0	111.2
17	N	29	Very low	38.1	Very low	167 Å²	167	132.3 Å²	132.3	89%	0.893	75%	0.753	S	S	*	*			trans	-166.6	56.4	148.2	-112.3	0.4	0	0	0	110.5
18	T	28.9	Very low	38.7	Very low	136 Å²	136	128.6 Å²	128.6	83%	0.834	74%	0.736	S	S	*	*			trans	-97.6	114.7	156.6	43.2	0	0	0	0	107.2
19	T	27.7	Very low	39.8	Very low	131 Å²	131	128.3 Å²	128.3	80%	0.804	73%	0.728	S	S	*	*			trans	-55.5	147.7	174.8	42.6	0	0	0	0	111.7	E21	T19-E21 PolarHBondContact O-N 3.08Å
20	E	34.8	Very low	41.3	Very low	199 Å²	199	121.9 Å²	121.9	93%	0.93	70%	0.7	S	S	*	*			trans	-56	107.5	179.6	-61.9	172.3	115.4	0	0	112.5
21	E	32.3	Very low	43.3	Very low	180 Å²	180	120 Å²	120	84%	0.841	68%	0.681	S	S	*	*			trans	-94.8	128	151.8	-78.1	-164.7	144	0	0	109.1	T19 G23	T19-E21 PolarHBondContact O-N 3.08Å; E21-G23 PolarHBondContact O-N 2.81Å
22	K	37.7	Very low	45.4	Very low	207 Å²	207	109.3 Å²	109.3	90%	0.9	64%	0.639	S	S	*	*			trans	-73.6	116.7	-177.7	-73.5	177.7	174.6	177.3	0	111.3
23	G	45.2	Very low	47	Very low	68 Å²	68	108.2 Å²	108.2	70%	0.701	63%	0.628	S	S	*	*			trans	82.6	36.6	137.8	0	0	0	0	0	118.5	E21	E21-G23 PolarHBondContact O-N 2.81Å
24	T	54.8	Low	48.8	Very low	127 Å²	127	110 Å²	110	78%	0.779	63%	0.633	S	S	*	*			trans	-110	108.4	166.2	52	0	0	0	0	111.4
25	C	58.7	Low	50.7	Low	28 Å²	28	107.7 Å²	107.7	19%	0.189	61%	0.61	C	S	.	*	P	Polyproline II helix	trans	-66	153.9	169.6	-68.3	0	0	0	0	111.4	Y29 P31 C38	C25-Y29 WeakPolarHBondContact CB-O 3.3Å; C25-P31 WeakPolarHBondContact SG-CA 3.47Å; C25-P31 VanDerWaalsContact SG-CB 3.55Å; C25-P31 VanDerWaalsContact SG-CD 3.56Å; C25-C38 VanDerWaalsContact CA-SG 3.59Å; C25-C38 HydrophobicContact CB-CB 3.8Å; C25-C38 WeakPolarHBondContact CB-SG 3.5Å; C25-C38 WeakPolarHBondContact SG-CB 3.41Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 3.49Å
26	P	58.7	Low	52.5	Low	82 Å²	82	110.1 Å²	110.1	53%	0.532	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-62.6	153.4	173.2	26.5	-33.8	0	0	0	111.6	G28 Y29	P26-G28 PolarHBondContact O-N 3.39Å; P26-Y29 HydrophobicContact CG-CD2 3.98Å; P26-Y29 HydrophobicContact CG-CG 4.18Å; P26-Y29 WeakPolarHBondContact O-CB 3.46Å; P26-Y29 PolarHBondContact O-N 3.01Å
27	L	48	Very low	54.3	Low	135 Å²	135	105.9 Å²	105.9	71%	0.707	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	130.6	179.3	-68.8	166.9	0	0	0	111.3
28	G	49.5	Very low	56.4	Low	30 Å²	30	100 Å²	100	31%	0.309	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	89.6	-2.5	-173.9	0	0	0	0	0	115.1	P26 Q41	P26-G28 PolarHBondContact O-N 3.39Å; G28-Q41 PolarHBondContact O-N 3.23Å; G28-Q41 VanDerWaalsContact O-N 3.08Å
29	Y	62.9	Low	58.3	Low	121 Å²	121	94.5 Å²	94.5	48%	0.475	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.8	176.1	-66.8	-107.1	0	0	0	112	C25 P26 L39 P40	C25-Y29 WeakPolarHBondContact CB-O 3.3Å; P26-Y29 HydrophobicContact CG-CD2 3.98Å; P26-Y29 HydrophobicContact CG-CG 4.18Å; P26-Y29 WeakPolarHBondContact O-CB 3.46Å; P26-Y29 PolarHBondContact O-N 3.01Å; Y29-L39 CarbonylContact C-O 3.59Å; Y29-L39 WeakPolarHBondContact CA-O 3.35Å; Y29-L39 WeakPolarHBondContact CB-O 3.34Å; Y29-P40 HydrophobicContact CD1-CB 4.47Å; Y29-P40 HydrophobicContact CD1-CG 4.26Å; Y29-P40 HydrophobicContact CE1-CB 4.22Å; Y29-P40 HydrophobicContact CE1-CG 3.79Å
30	F	63.1	Low	59.9	Low	55 Å²	55	90.2 Å²	90.2	24%	0.241	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.7	-176.9	176.5	-98.7	0	0	0	111.4	C38 L39 R378	F30-C38 CarbonylContact O-C 3.32Å; F30-C38 VanDerWaalsContact O-CA 3.3Å; F30-C38 WeakPolarHBondContact O-CA 3.31Å; F30-L39 PolarHBondContact N-O 3.02Å; F30-L39 PolarHBondContact O-N 2.81Å; F30-R378 HydrophobicContact CD2-CG 4.09Å; F30-R378 HydrophobicContact CE2-CG 4.44Å; F30-R378 VanDerWaalsContact CZ-CZ 3.42Å
31	P	76.2	Confident	61	Low	39 Å²	39	83 Å²	83	25%	0.253	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	135.2	178	27.4	-33	0	0	0	112	C25 G33 V37	C25-P31 WeakPolarHBondContact SG-CA 3.47Å; C25-P31 VanDerWaalsContact SG-CB 3.55Å; C25-P31 VanDerWaalsContact SG-CD 3.56Å; P31-G33 PolarHBondContact O-N 3.31Å; P31-V37 WeakPolarHBondContact CA-O 3.4Å
32	C	75.3	Confident	61.7	Low	0 Å²	0	79.2 Å²	79.2	0%	0	46%	0.459	C	S	.	.			trans	-70	65	176.1	-75	0	0	0	0	113.3	N34 L35 V37 C51 N53	C32-N34 PolarHBondContact O-N 3.05Å; C32-L35 HydrophobicContact CB-CB 3.95Å; C32-L35 HydrophobicContact CB-CD1 3.98Å; C32-L35 HydrophobicContact CB-CG 4.4Å; C32-L35 WeakPolarHBondContact O-CB 3.41Å; C32-L35 WeakPolarHBondContact O-CG 3.3Å; C32-L35 PolarHBondContact O-N 3.15Å; C32-L35 VanDerWaalsContact O-N 3.11Å; C32-V37 HydrophobicContact CB-CB 4.39Å; C32-V37 PolarHBondContact N-O 3.24Å; C32-C51 WeakPolarHBondContact CA-SG 3.46Å; C32-C51 HydrophobicContact CB-CB 3.67Å; C32-C51 WeakPolarHBondContact CB-SG 3.38Å; C32-C51 VanDerWaalsContact SG-CA 3.51Å; C32-C51 WeakPolarHBondContact SG-CB 3.42Å; C32-C51 CovalentContact SG-SG 2.04Å; C32-C51 PolarHBondContact SG-SG 3.18Å; C32-N53 PolarHBondContact O-ND2 3.33Å; C32-N53 VanDerWaalsContact O-ND2 3.12Å
33	G	69.8	Low	63	Low	41 Å²	41	71.9 Å²	71.9	42%	0.423	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-116.9	-174.1	0	0	0	0	0	111.4	P31 L35	P31-G33 PolarHBondContact O-N 3.31Å; G33-L35 VanDerWaalsContact C-N 3.34Å
34	N	71.4	Confident	63.9	Low	175 Å²	175	70 Å²	70	94%	0.936	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	1.7	177.8	-73.4	-23.7	0	0	0	114	C32	C32-N34 PolarHBondContact O-N 3.05Å
35	L	73.3	Confident	64.4	Low	81 Å²	81	66.4 Å²	66.4	42%	0.424	38%	0.381	S	S	.	.	S	Bend	trans	-80.5	149.6	176.2	-59.6	176.3	0	0	0	110.8	C32 G33 V37	C32-L35 HydrophobicContact CB-CB 3.95Å; C32-L35 HydrophobicContact CB-CD1 3.98Å; C32-L35 HydrophobicContact CB-CG 4.4Å; C32-L35 WeakPolarHBondContact O-CB 3.41Å; C32-L35 WeakPolarHBondContact O-CG 3.3Å; C32-L35 PolarHBondContact O-N 3.15Å; C32-L35 VanDerWaalsContact O-N 3.11Å; G33-L35 VanDerWaalsContact C-N 3.34Å; L35-V37 HydrophobicContact CB-CB 4.42Å; L35-V37 HydrophobicContact CB-CG2 4.49Å; L35-V37 PolarHBondContact O-N 2.94Å
36	T	70.8	Confident	64.6	Low	146 Å²	146	68 Å²	68	90%	0.896	39%	0.388	S	S	*	.	S	Bend	trans	-75.9	3.9	172.2	52.6	0	0	0	0	113.4
37	V	72.9	Confident	64.9	Low	75 Å²	75	67.1 Å²	67.1	46%	0.455	39%	0.394	S	S	.	.			trans	-83.8	127.4	178.2	-178.9	0	0	0	0	109	P31 C32 L35	P31-V37 WeakPolarHBondContact CA-O 3.4Å; C32-V37 HydrophobicContact CB-CB 4.39Å; C32-V37 PolarHBondContact N-O 3.24Å; L35-V37 HydrophobicContact CB-CB 4.42Å; L35-V37 HydrophobicContact CB-CG2 4.49Å; L35-V37 PolarHBondContact O-N 2.94Å
38	C	71.9	Confident	66.1	Low	45 Å²	45	65.5 Å²	65.5	30%	0.304	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.9	174.5	-60.9	0	0	0	0	109.3	C25 F30	C25-C38 VanDerWaalsContact CA-SG 3.59Å; C25-C38 HydrophobicContact CB-CB 3.8Å; C25-C38 WeakPolarHBondContact CB-SG 3.5Å; C25-C38 WeakPolarHBondContact SG-CB 3.41Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 3.49Å; F30-C38 CarbonylContact O-C 3.32Å; F30-C38 VanDerWaalsContact O-CA 3.3Å; F30-C38 WeakPolarHBondContact O-CA 3.31Å
39	L	69.1	Low	67.5	Low	20 Å²	20	67.1 Å²	67.1	11%	0.105	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	150.3	173.7	-69.7	-176.8	0	0	0	111.8	Y29 F30 L43 D50 C51 D56	Y29-L39 CarbonylContact C-O 3.59Å; Y29-L39 WeakPolarHBondContact CA-O 3.35Å; Y29-L39 WeakPolarHBondContact CB-O 3.34Å; F30-L39 PolarHBondContact N-O 3.02Å; F30-L39 PolarHBondContact O-N 2.81Å; L39-L43 HydrophobicContact CB-CB 4.42Å; L39-L43 HydrophobicContact CD1-CB 4.23Å; L39-L43 HydrophobicContact CD2-CD1 4.28Å; L39-D50 HydrophobicContact CD1-CB 3.66Å; L39-D50 HydrophobicContact CD2-CB 4.49Å; L39-C51 HydrophobicContact CD1-CB 4.31Å; L39-C51 WeakPolarHBondContact CD1-SG 3.42Å; L39-D56 HydrophobicContact CD1-CB 4.09Å
40	P	62.1	Low	68.3	Low	40 Å²	40	64.4 Å²	64.4	26%	0.26	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	148.3	166.6	-14.6	27.9	0	0	0	111	Y29 L42 L43	Y29-P40 HydrophobicContact CD1-CB 4.47Å; Y29-P40 HydrophobicContact CD1-CG 4.26Å; Y29-P40 HydrophobicContact CE1-CB 4.22Å; Y29-P40 HydrophobicContact CE1-CG 3.79Å; P40-L42 PolarHBondContact O-N 2.99Å; P40-L43 HydrophobicContact CG-CD1 4.49Å; P40-L43 PolarHBondContact O-N 3.45Å
41	Q	56.9	Low	68.9	Low	49 Å²	49	62.5 Å²	62.5	23%	0.229	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-12.5	178.2	-165.2	168	7.9	0	0	114.8	G28 V377 R378	G28-Q41 PolarHBondContact O-N 3.23Å; G28-Q41 VanDerWaalsContact O-N 3.08Å; Q41-V377 PolarHBondContact NE2-O 2.86Å; Q41-V377 VanDerWaalsContact NE2-O 3.15Å; Q41-R378 PolarHBondContact NE2-O 3.23Å
42	L	48.4	Very low	68.9	Low	99 Å²	99	63.7 Å²	63.7	52%	0.518	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-27.6	174.5	-163.6	87.8	0	0	0	113.7	P40 H44 E391	P40-L42 PolarHBondContact O-N 2.99Å; L42-H44 PolarHBondContact O-N 3.48Å; L42-E391 WeakPolarHBondContact CB-OE1 3.01Å
43	L	63.4	Low	68.9	Low	54 Å²	54	66.9 Å²	66.9	28%	0.283	41%	0.41	S	S	.	.	S	Bend	trans	-89.2	39.2	176.2	-58.5	-173	0	0	0	110.7	L39 P40 D50	L39-L43 HydrophobicContact CB-CB 4.42Å; L39-L43 HydrophobicContact CD1-CB 4.23Å; L39-L43 HydrophobicContact CD2-CD1 4.28Å; P40-L43 HydrophobicContact CG-CD1 4.49Å; P40-L43 PolarHBondContact O-N 3.45Å; L43-D50 HydrophobicContact CB-CB 4.13Å; L43-D50 WeakPolarHBondContact CB-OD2 3.49Å; L43-D50 HydrophobicContact CD1-CB 4.3Å
44	H	64.1	Low	69	Low	29 Å²	29	70.5 Å²	70.5	13%	0.134	42%	0.415	C	S	.	.	S	Bend	trans	-135.1	121.2	-177.6	-176.8	36.5	0	0	0	107.5	L42 N46 D56 R378	L42-H44 PolarHBondContact O-N 3.48Å; H44-N46 VanDerWaalsContact C-N 3.3Å; H44-N46 PolarHBondContact O-N 2.96Å; H44-D56 PolarHBondContact CE1-O 3.3Å; H44-D56 VanDerWaalsContact CE1-O 3.31Å; H44-D56 PolarHBondContact ND1-O 2.91Å; H44-R378 PolarHBondContact CE1-NH1 3.47Å; H44-R378 PolarHBondContact CE1-NH2 3.44Å; H44-R378 PolarHBondContact NE2-NE 3.36Å; H44-R378 PolarHBondContact NE2-NH1 2.87Å; H44-R378 PolarHBondContact NE2-NH2 3.03Å
45	C	65.3	Low	68.9	Low	50 Å²	50	62.8 Å²	62.8	34%	0.338	38%	0.376	S	S	.	.	S	Bend	trans	61.6	37.3	-177.5	-53.2	0	0	0	0	113.6	D56 E57 C60	C45-D56 PolarHBondContact N-O 3.32Å; C45-E57 VanDerWaalsContact C-OE1 3.26Å; C45-E57 WeakPolarHBondContact CA-OE1 3.46Å; C45-E57 PolarHBondContact N-OE1 2.9Å; C45-C60 WeakPolarHBondContact CA-SG 3.44Å; C45-C60 HydrophobicContact CB-CB 3.51Å; C45-C60 WeakPolarHBondContact CB-SG 3.32Å; C45-C60 WeakPolarHBondContact SG-CA 3.36Å; C45-C60 WeakPolarHBondContact SG-CB 3.45Å; C45-C60 CovalentContact SG-SG 2.02Å; C45-C60 PolarHBondContact SG-SG 3.46Å
46	N	63.4	Low	68.8	Low	63 Å²	63	59 Å²	59	34%	0.337	36%	0.356	S	S	.	.	S	Bend	trans	-93.6	-6.6	175.1	69.4	11.2	0	0	0	112.2	H44 I48 D50 E57	H44-N46 VanDerWaalsContact C-N 3.3Å; H44-N46 PolarHBondContact O-N 2.96Å; N46-I48 WeakPolarHBondContact OD1-CA 3.33Å; N46-I48 WeakPolarHBondContact OD1-CB 3.5Å; N46-I48 PolarHBondContact OD1-N 3.37Å; N46-I48 PolarHBondContact OD1-O 3.12Å; N46-D50 PolarHBondContact ND2-OD2 2.98Å; N46-E57 PolarHBondContact N-OE1 3.33Å; N46-E57 PolarHBondContact OD1-OE1 3.42Å
47	G	66	Low	68.9	Low	62 Å²	62	54.7 Å²	54.7	64%	0.639	33%	0.326	S	S	*	.	S	Bend	trans	88.8	14	-176.5	0	0	0	0	0	114.6	E57	G47-E57 WeakPolarHBondContact CA-OE2 3.45Å; G47-E57 PolarHBondContact N-OE1 3.4Å; G47-E57 PolarHBondContact N-OE2 3.06Å
48	I	73.3	Confident	68.4	Low	102 Å²	102	56.4 Å²	56.4	52%	0.523	33%	0.329	S	S	.	.	S	Bend	trans	-134	132.8	-173.3	-50.2	177.4	0	0	0	108.3	N46 D50 E57	N46-I48 WeakPolarHBondContact OD1-CA 3.33Å; N46-I48 WeakPolarHBondContact OD1-CB 3.5Å; N46-I48 PolarHBondContact OD1-N 3.37Å; N46-I48 PolarHBondContact OD1-O 3.12Å; I48-D50 PolarHBondContact O-N 3.3Å; I48-D50 VanDerWaalsContact O-N 3.1Å; I48-E57 WeakPolarHBondContact O-CG 3.42Å
49	D	78.3	Confident	67.9	Low	63 Å²	63	59.1 Å²	59.1	34%	0.337	34%	0.341	S	S	.	.			trans	-81.6	83.7	175.9	-179.2	13.8	0	0	0	110.1	G52 N53 Q54	D49-G52 VanDerWaalsContact OD1-CA 3.23Å; D49-G52 WeakPolarHBondContact OD1-CA 3.36Å; D49-G52 PolarHBondContact OD1-N 3.39Å; D49-N53 PolarHBondContact OD1-N 3.45Å; D49-Q54 HydrophobicContact CB-CG 4.05Å; D49-Q54 WeakPolarHBondContact OD1-CA 3.33Å; D49-Q54 PolarHBondContact OD1-N 2.93Å; D49-Q54 WeakPolarHBondContact OD2-CG 3.36Å
50	D	80.1	Confident	67.5	Low	64 Å²	64	60.7 Å²	60.7	34%	0.342	35%	0.352	S	S	.	.	S	Bend	trans	-78.6	-20.7	174.6	-72.6	-56.2	0	0	0	111.9	L39 L43 N46 I48 D56	L39-D50 HydrophobicContact CD1-CB 3.66Å; L39-D50 HydrophobicContact CD2-CB 4.49Å; L43-D50 HydrophobicContact CB-CB 4.13Å; L43-D50 WeakPolarHBondContact CB-OD2 3.49Å; L43-D50 HydrophobicContact CD1-CB 4.3Å; N46-D50 PolarHBondContact ND2-OD2 2.98Å; I48-D50 PolarHBondContact O-N 3.3Å; I48-D50 VanDerWaalsContact O-N 3.1Å; D50-D56 VanDerWaalsContact CA-OD2 3.3Å; D50-D56 WeakPolarHBondContact CA-OD2 3.47Å; D50-D56 WeakPolarHBondContact CB-OD2 3.25Å; D50-D56 PolarHBondContact N-OD2 3.09Å
51	C	74.1	Confident	67.2	Low	15 Å²	15	60.3 Å²	60.3	10%	0.101	36%	0.356	C	S	.	.	S	Bend	trans	-80.9	-20.3	173.5	-79.7	0	0	0	0	114.4	C32 L39 N53 D56	C32-C51 WeakPolarHBondContact CA-SG 3.46Å; C32-C51 HydrophobicContact CB-CB 3.67Å; C32-C51 WeakPolarHBondContact CB-SG 3.38Å; C32-C51 VanDerWaalsContact SG-CA 3.51Å; C32-C51 WeakPolarHBondContact SG-CB 3.42Å; C32-C51 CovalentContact SG-SG 2.04Å; C32-C51 PolarHBondContact SG-SG 3.18Å; L39-C51 HydrophobicContact CD1-CB 4.31Å; L39-C51 WeakPolarHBondContact CD1-SG 3.42Å; C51-N53 WeakPolarHBondContact CB-OD1 3.31Å; C51-N53 PolarHBondContact O-N 3Å; C51-D56 HydrophobicContact CB-CB 4.34Å; C51-D56 WeakPolarHBondContact CB-OD1 3.31Å; C51-D56 PolarHBondContact N-OD2 3.5Å
52	G	76	Confident	67.6	Low	64 Å²	64	59.7 Å²	59.7	66%	0.66	36%	0.355	S	S	*	.	S	Bend	trans	70.2	11.3	-171	0	0	0	0	0	114.4	D49	D49-G52 VanDerWaalsContact OD1-CA 3.23Å; D49-G52 WeakPolarHBondContact OD1-CA 3.36Å; D49-G52 PolarHBondContact OD1-N 3.39Å
53	N	77.1	Confident	68.4	Low	67 Å²	67	58.8 Å²	58.8	36%	0.358	35%	0.35	S	S	.	.	S	Bend	trans	-141.4	10.5	177	73.2	-1.8	0	0	0	113	C32 D49 C51 A55	C32-N53 PolarHBondContact O-ND2 3.33Å; C32-N53 VanDerWaalsContact O-ND2 3.12Å; D49-N53 PolarHBondContact OD1-N 3.45Å; C51-N53 WeakPolarHBondContact CB-OD1 3.31Å; C51-N53 PolarHBondContact O-N 3Å; N53-A55 PolarHBondContact O-N 3.4Å; N53-A55 VanDerWaalsContact O-N 3.1Å; N53-A55 WeakPolarHBondContact OD1-CB 3.43Å; N53-A55 PolarHBondContact OD1-N 3.42Å; N53-A55 VanDerWaalsContact OD1-N 3.09Å
54	Q	70.3	Confident	68.4	Low	117 Å²	117	57.4 Å²	57.4	55%	0.547	34%	0.343	S	S	.	.	S	Bend	trans	60.3	8.7	-179.2	-56.7	179.8	-11.2	0	0	115.6	D49 D56 E57 E58	D49-Q54 HydrophobicContact CB-CG 4.05Å; D49-Q54 WeakPolarHBondContact OD1-CA 3.33Å; D49-Q54 PolarHBondContact OD1-N 2.93Å; D49-Q54 WeakPolarHBondContact OD2-CG 3.36Å; Q54-D56 VanDerWaalsContact C-OD1 3.3Å; Q54-D56 WeakPolarHBondContact CA-OD1 3.27Å; Q54-D56 PolarHBondContact O-N 2.91Å; Q54-D56 VanDerWaalsContact O-N 3.12Å; Q54-E57 CarbonylContact O-C 3.13Å; Q54-E57 PolarHBondContact O-N 2.92Å; Q54-E58 WeakPolarHBondContact O-CG 3.46Å; Q54-E58 PolarHBondContact O-N 2.89Å
55	A	69.9	Low	68.5	Low	13 Å²	13	56 Å²	56	11%	0.107	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.1	179.2	0	0	0	0	0	113.8	N53 R378	N53-A55 PolarHBondContact O-N 3.4Å; N53-A55 VanDerWaalsContact O-N 3.1Å; N53-A55 WeakPolarHBondContact OD1-CB 3.43Å; N53-A55 PolarHBondContact OD1-N 3.42Å; N53-A55 VanDerWaalsContact OD1-N 3.09Å; A55-R378 PolarHBondContact O-NH2 3.23Å
56	D	71.1	Confident	68.4	Low	1 Å²	1	55.8 Å²	55.8	1%	0.005	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-16	171.3	55.2	-29.9	0	0	0	114.4	L39 H44 C45 D50 C51 Q54	L39-D56 HydrophobicContact CD1-CB 4.09Å; H44-D56 PolarHBondContact CE1-O 3.3Å; H44-D56 VanDerWaalsContact CE1-O 3.31Å; H44-D56 PolarHBondContact ND1-O 2.91Å; C45-D56 PolarHBondContact N-O 3.32Å; D50-D56 VanDerWaalsContact CA-OD2 3.3Å; D50-D56 WeakPolarHBondContact CA-OD2 3.47Å; D50-D56 WeakPolarHBondContact CB-OD2 3.25Å; D50-D56 PolarHBondContact N-OD2 3.09Å; C51-D56 HydrophobicContact CB-CB 4.34Å; C51-D56 WeakPolarHBondContact CB-OD1 3.31Å; C51-D56 PolarHBondContact N-OD2 3.5Å; Q54-D56 VanDerWaalsContact C-OD1 3.3Å; Q54-D56 WeakPolarHBondContact CA-OD1 3.27Å; Q54-D56 PolarHBondContact O-N 2.91Å; Q54-D56 VanDerWaalsContact O-N 3.12Å
57	E	74.1	Confident	68	Low	56 Å²	56	56 Å²	56	26%	0.262	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-4.6	172.1	-68.8	-62	130.3	0	0	112.6	C45 N46 G47 I48 Q54 C60	C45-E57 VanDerWaalsContact C-OE1 3.26Å; C45-E57 WeakPolarHBondContact CA-OE1 3.46Å; C45-E57 PolarHBondContact N-OE1 2.9Å; N46-E57 PolarHBondContact N-OE1 3.33Å; N46-E57 PolarHBondContact OD1-OE1 3.42Å; G47-E57 WeakPolarHBondContact CA-OE2 3.45Å; G47-E57 PolarHBondContact N-OE1 3.4Å; G47-E57 PolarHBondContact N-OE2 3.06Å; I48-E57 WeakPolarHBondContact O-CG 3.42Å; Q54-E57 CarbonylContact O-C 3.13Å; Q54-E57 PolarHBondContact O-N 2.92Å; E57-C60 VanDerWaalsContact C-SG 3.52Å; E57-C60 PolarHBondContact O-SG 3.24Å
58	E	62.2	Low	67.8	Low	112 Å²	112	57.8 Å²	57.8	52%	0.523	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	135.1	171.5	-78.6	-172.5	174.9	0	0	113.3	Q54 R378	Q54-E58 WeakPolarHBondContact O-CG 3.46Å; Q54-E58 PolarHBondContact O-N 2.89Å; E58-R378 PolarHBondContact O-NH1 3.39Å
59	N	60.1	Low	67.1	Low	102 Å²	102	53.2 Å²	53.2	55%	0.545	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	40.3	177	-58.4	-61.1	0	0	0	115.1
60	C	61.2	Low	66.4	Low	52 Å²	52	52 Å²	52	35%	0.351	29%	0.294	S	S	.	.			trans	-75.3	-21.4	177.9	-67.4	0	0	0	0	116.1	C45 E57	C45-C60 WeakPolarHBondContact CA-SG 3.44Å; C45-C60 HydrophobicContact CB-CB 3.51Å; C45-C60 WeakPolarHBondContact CB-SG 3.32Å; C45-C60 WeakPolarHBondContact SG-CA 3.36Å; C45-C60 WeakPolarHBondContact SG-CB 3.45Å; C45-C60 CovalentContact SG-SG 2.02Å; C45-C60 PolarHBondContact SG-SG 3.46Å; E57-C60 VanDerWaalsContact C-SG 3.52Å; E57-C60 PolarHBondContact O-SG 3.24Å
61	G	56.1	Low	65.4	Low	33 Å²	33	54.1 Å²	54.1	34%	0.34	31%	0.305	S	S	.	.	S	Bend	trans	-91.4	145.9	164.5	0	0	0	0	0	109.8	N63	G61-N63 PolarHBondContact O-N 3.17Å
62	D	65.1	Low	64.5	Low	36 Å²	36	60 Å²	60	19%	0.193	33%	0.329	C	S	.	.			trans	-73.2	79.2	169.7	-174.3	23.2	0	0	0	110.5	N64 S338 Y364	D62-N64 VanDerWaalsContact C-N 3.28Å; D62-N64 WeakPolarHBondContact OD1-CB 3.39Å; D62-N64 PolarHBondContact OD1-ND2 3.23Å; D62-S338 WeakPolarHBondContact OD1-CB 3.35Å; D62-S338 WeakPolarHBondContact OD2-CB 3.26Å; D62-S338 PolarHBondContact OD2-OG 3.47Å; D62-Y364 VanDerWaalsContact CB-OH 3.23Å; D62-Y364 WeakPolarHBondContact CB-OH 3.45Å
63	N	65.1	Low	63.6	Low	80 Å²	80	62.2 Å²	62.2	43%	0.428	32%	0.318	S	S	.	.			trans	-93.1	15.2	178.1	-63.4	-24	0	0	0	111.5	G61 G65 P67 H68	G61-N63 PolarHBondContact O-N 3.17Å; N63-G65 VanDerWaalsContact C-N 3.26Å; N63-G65 PolarHBondContact O-N 3.4Å; N63-P67 HydrophobicContact CB-CB 4.42Å; N63-H68 WeakPolarHBondContact O-CB 3.26Å
64	N	64.4	Low	62.7	Low	25 Å²	25	60.6 Å²	60.6	13%	0.134	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.5	-170.2	-70.8	-67.9	0	0	0	114.3	D62 K337 T361	D62-N64 VanDerWaalsContact C-N 3.28Å; D62-N64 WeakPolarHBondContact OD1-CB 3.39Å; D62-N64 PolarHBondContact OD1-ND2 3.23Å; N64-K337 HydrophobicContact CB-CB 4.01Å; N64-K337 HydrophobicContact CB-CD 4.33Å; N64-K337 WeakPolarHBondContact OD1-CD 3.37Å; N64-T361 PolarHBondContact ND2-OG1 3.15Å
65	G	64.4	Low	61.5	Low	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-123.5	171.3	0	0	0	0	0	112.5	N63 H68 L69 E290	N63-G65 VanDerWaalsContact C-N 3.26Å; N63-G65 PolarHBondContact O-N 3.4Å; G65-H68 PolarHBondContact O-N 2.93Å; G65-L69 PolarHBondContact O-N 3.32Å; G65-E290 VanDerWaalsContact C-OE2 3.29Å; G65-E290 WeakPolarHBondContact CA-OE2 3.32Å
66	W	63.2	Low	59.9	Low	44 Å²	44	63.3 Å²	63.3	17%	0.167	33%	0.33	C	S	.	.	H	α-helix	trans	-52.2	-45.7	-160	-177.4	-110	0	0	0	116	H68 L69 F70 F74 W242 V266 E290	W66-H68 PolarHBondContact O-N 2.76Å; W66-L69 HydrophobicContact CE3-CB 4.33Å; W66-L69 HydrophobicContact CZ3-CB 4.38Å; W66-L69 CarbonylContact O-C 3.54Å; W66-L69 PolarHBondContact O-N 3.23Å; W66-L69 VanDerWaalsContact O-N 3.15Å; W66-F70 AromaticContact CE2-CD2 3.63Å; W66-F70 HydrophobicContact CH2-CB 4.5Å; W66-F70 HydrophobicContact CH2-CD2 4.49Å; W66-F70 HydrophobicContact CZ2-CB 3.71Å; W66-F70 AromaticContact CZ2-CD2 3.31Å; W66-F70 HydrophobicContact CZ2-CD2 3.31Å; W66-F70 HydrophobicContact CZ2-CE2 4.18Å; W66-F70 AromaticContact CZ2-CG 3.88Å; W66-F70 HydrophobicContact CZ2-CG 3.88Å; W66-F70 AromaticContact NE1-CD2 3.53Å; W66-F70 WeakPolarHBondContact O-CB 3.26Å; W66-F70 PolarHBondContact O-N 2.87Å; W66-F74 HydrophobicContact CH2-CD2 4.01Å; W66-F74 AromaticContact CH2-CE2 3.57Å; W66-F74 HydrophobicContact CH2-CE2 3.57Å; W66-F74 HydrophobicContact CH2-CZ 4.33Å; W66-F74 HydrophobicContact CZ2-CD2 4.43Å; W66-F74 HydrophobicContact CZ2-CE2 4.36Å; W66-F74 HydrophobicContact CZ3-CE2 4.46Å; W66-W242 AromaticContact CD1-CH2 3.76Å; W66-W242 HydrophobicContact CD2-CD2 4.18Å; W66-W242 AromaticContact CD2-CE3 3.96Å; W66-W242 HydrophobicContact CD2-CE3 3.96Å; W66-W242 AromaticContact CD2-CH2 3.65Å; W66-W242 HydrophobicContact CD2-CH2 3.65Å; W66-W242 AromaticContact CD2-CZ2 3.85Å; W66-W242 HydrophobicContact CD2-CZ2 3.85Å; W66-W242 AromaticContact CD2-CZ3 3.74Å; W66-W242 HydrophobicContact CD2-CZ3 3.74Å; W66-W242 AromaticContact CE2-CE3 3.49Å; W66-W242 VanDerWaalsContact CE2-CE3 3.49Å; W66-W242 AromaticContact CE2-CH2 3.35Å; W66-W242 AromaticContact CE2-CZ3 3.07Å; W66-W242 AromaticContact CE3-CD2 3.85Å; W66-W242 HydrophobicContact CE3-CD2 3.85Å; W66-W242 AromaticContact CE3-CE2 3.97Å; W66-W242 AromaticContact CE3-CE3 3.96Å; W66-W242 HydrophobicContact CE3-CE3 3.96Å; W66-W242 HydrophobicContact CE3-CG 4.35Å; W66-W242 HydrophobicContact CE3-CH2 4.3Å; W66-W242 HydrophobicContact CE3-CZ2 4.18Å; W66-W242 HydrophobicContact CE3-CZ3 4.22Å; W66-W242 AromaticContact CG-CH2 3.98Å; W66-W242 HydrophobicContact CG-CH2 3.98Å; W66-W242 HydrophobicContact CG-CZ2 4.14Å; W66-W242 HydrophobicContact CG-CZ3 4.48Å; W66-W242 HydrophobicContact CH2-CB 4.23Å; W66-W242 AromaticContact CH2-CD2 3.61Å; W66-W242 HydrophobicContact CH2-CD2 3.61Å; W66-W242 AromaticContact CH2-CE3 3.09Å; W66-W242 HydrophobicContact CH2-CE3 3.09Å; W66-W242 HydrophobicContact CH2-CG 4.13Å; W66-W242 HydrophobicContact CH2-CH2 4.49Å; W66-W242 AromaticContact CH2-CZ3 3.65Å; W66-W242 HydrophobicContact CH2-CZ3 3.65Å; W66-W242 AromaticContact CZ2-CD2 3.94Å; W66-W242 HydrophobicContact CZ2-CD2 3.94Å; W66-W242 AromaticContact CZ2-CE3 3.05Å; W66-W242 HydrophobicContact CZ2-CE3 3.05Å; W66-W242 AromaticContact CZ2-CH2 3.85Å; W66-W242 HydrophobicContact CZ2-CH2 3.85Å; W66-W242 AromaticContact CZ2-CZ3 3.04Å; W66-W242 HydrophobicContact CZ2-CZ3 3.04Å; W66-W242 HydrophobicContact CZ3-CB 4.07Å; W66-W242 AromaticContact CZ3-CD2 3.55Å; W66-W242 HydrophobicContact CZ3-CD2 3.55Å; W66-W242 AromaticContact CZ3-CE3 3.55Å; W66-W242 HydrophobicContact CZ3-CE3 3.55Å; W66-W242 AromaticContact CZ3-CG 3.83Å; W66-W242 HydrophobicContact CZ3-CG 3.83Å; W66-W242 HydrophobicContact CZ3-CZ3 4.19Å; W66-W242 AromaticContact NE1-CH2 3.33Å; W66-W242 VanDerWaalsContact NE1-CH2 3.33Å; W66-W242 AromaticContact NE1-CZ3 3.38Å; W66-V266 HydrophobicContact CE3-CB 4.15Å; W66-V266 HydrophobicContact CE3-CG1 3.92Å; W66-V266 HydrophobicContact CE3-CG2 3.73Å; W66-V266 HydrophobicContact CZ3-CB 4.12Å; W66-V266 HydrophobicContact CZ3-CG1 4.36Å; W66-V266 HydrophobicContact CZ3-CG2 3.69Å; W66-E290 VanDerWaalsContact CA-OE2 3.27Å; W66-E290 WeakPolarHBondContact CA-OE2 3.43Å; W66-E290 PolarHBondContact N-OE2 3.3Å
67	P	56.6	Low	58.2	Low	67 Å²	67	68.8 Å²	68.8	44%	0.435	37%	0.366	S	S	.	.	H	α-helix	trans	-58.3	-45	-177.9	-24.8	35.4	0	0	0	113	N63 F70 D71	N63-P67 HydrophobicContact CB-CB 4.42Å; P67-F70 PolarHBondContact O-N 3.26Å; P67-D71 PolarHBondContact O-N 3.44Å
68	H	60.5	Low	56.3	Low	101 Å²	101	70.3 Å²	70.3	47%	0.468	38%	0.383	S	S	.	.	H	α-helix	trans	-73.3	-27.3	179.3	-177.6	-80.4	0	0	0	112.5	N63 G65 W66 K72	N63-H68 WeakPolarHBondContact O-CB 3.26Å; G65-H68 PolarHBondContact O-N 2.93Å; W66-H68 PolarHBondContact O-N 2.76Å; H68-K72 WeakPolarHBondContact O-CB 3.45Å; H68-K72 PolarHBondContact O-N 3.5Å
69	L	59.8	Low	55.1	Low	6 Å²	6	73.7 Å²	73.7	3%	0.031	40%	0.399	C	S	.	.	H	α-helix	trans	-77.8	-34.8	173.4	-64.4	173.8	0	0	0	112.2	G65 W66 K72 Y73 V266 E290 L313	G65-L69 PolarHBondContact O-N 3.32Å; W66-L69 HydrophobicContact CE3-CB 4.33Å; W66-L69 HydrophobicContact CZ3-CB 4.38Å; W66-L69 CarbonylContact O-C 3.54Å; W66-L69 PolarHBondContact O-N 3.23Å; W66-L69 VanDerWaalsContact O-N 3.15Å; L69-K72 PolarHBondContact O-N 3.06Å; L69-Y73 HydrophobicContact CD2-CE2 4.12Å; L69-Y73 WeakPolarHBondContact O-CD2 3.47Å; L69-Y73 PolarHBondContact O-N 3.33Å; L69-Y73 VanDerWaalsContact O-N 3.15Å; L69-V266 HydrophobicContact CB-CG2 4.47Å; L69-V266 HydrophobicContact CD1-CG2 3.5Å; L69-V266 VanDerWaalsContact CD1-CG2 3.5Å; L69-E290 HydrophobicContact CD1-CB 4.13Å; L69-L313 HydrophobicContact CD2-CD1 4.48Å
70	F	63.7	Low	53.9	Low	38 Å²	38	75.1 Å²	75.1	17%	0.167	41%	0.406	C	S	.	.	H	α-helix	trans	-56.6	-57	173.9	-169.2	-66.7	0	0	0	109.6	W66 P67 K72 Y73 F74 G75 M76 W195	W66-F70 AromaticContact CE2-CD2 3.63Å; W66-F70 HydrophobicContact CH2-CB 4.5Å; W66-F70 HydrophobicContact CH2-CD2 4.49Å; W66-F70 HydrophobicContact CZ2-CB 3.71Å; W66-F70 AromaticContact CZ2-CD2 3.31Å; W66-F70 HydrophobicContact CZ2-CD2 3.31Å; W66-F70 HydrophobicContact CZ2-CE2 4.18Å; W66-F70 AromaticContact CZ2-CG 3.88Å; W66-F70 HydrophobicContact CZ2-CG 3.88Å; W66-F70 AromaticContact NE1-CD2 3.53Å; W66-F70 WeakPolarHBondContact O-CB 3.26Å; W66-F70 PolarHBondContact O-N 2.87Å; P67-F70 PolarHBondContact O-N 3.26Å; F70-K72 VanDerWaalsContact C-N 3.3Å; F70-K72 PolarHBondContact O-N 2.8Å; F70-Y73 PolarHBondContact O-N 3.04Å; F70-F74 HydrophobicContact CD1-CB 3.98Å; F70-F74 HydrophobicContact CE1-CB 3.75Å; F70-F74 HydrophobicContact CG-CB 4.48Å; F70-F74 HydrophobicContact CZ-CB 4.08Å; F70-F74 CarbonylContact O-C 3.4Å; F70-F74 WeakPolarHBondContact O-CA 3.45Å; F70-F74 WeakPolarHBondContact O-CB 3.29Å; F70-F74 PolarHBondContact O-N 3.44Å; F70-G75 PolarHBondContact O-N 3.29Å; F70-M76 HydrophobicContact CE1-CE 4.42Å; F70-M76 HydrophobicContact CE1-CG 4.28Å; F70-W195 HydrophobicContact CZ-CH2 4.03Å; F70-W195 HydrophobicContact CZ-CZ2 4.28Å
71	D	58.5	Low	52.7	Low	108 Å²	108	78.4 Å²	78.4	58%	0.578	43%	0.425	S	S	*	.	H	α-helix	trans	-67	-33.2	-173.5	-74.4	-25.8	0	0	0	112.6	P67 G75	P67-D71 PolarHBondContact O-N 3.44Å; D71-G75 WeakPolarHBondContact O-CA 3.37Å; D71-G75 PolarHBondContact O-N 2.96Å
72	K	56.2	Low	52.1	Low	138 Å²	138	87.4 Å²	87.4	60%	0.6	45%	0.448	S	S	*	.	H	α-helix	trans	-67.6	-36.3	177.3	-176.1	179.5	176.6	-173.8	0	113.8	H68 L69 F70	H68-K72 WeakPolarHBondContact O-CB 3.45Å; H68-K72 PolarHBondContact O-N 3.5Å; L69-K72 PolarHBondContact O-N 3.06Å; F70-K72 VanDerWaalsContact C-N 3.3Å; F70-K72 PolarHBondContact O-N 2.8Å
73	Y	55.3	Low	51.2	Low	110 Å²	110	92.3 Å²	92.3	43%	0.431	48%	0.48	S	S	.	.	H	α-helix	trans	-107.9	-24.8	-174	-71.2	-66.4	0	0	0	114.6	L69 F70 T265	L69-Y73 HydrophobicContact CD2-CE2 4.12Å; L69-Y73 WeakPolarHBondContact O-CD2 3.47Å; L69-Y73 PolarHBondContact O-N 3.33Å; L69-Y73 VanDerWaalsContact O-N 3.15Å; F70-Y73 PolarHBondContact O-N 3.04Å; Y73-T265 HydrophobicContact CE2-CG2 4.11Å
74	F	58.6	Low	50.8	Low	33 Å²	33	94.4 Å²	94.4	15%	0.145	49%	0.485	C	S	.	.	H	α-helix	trans	-129.3	9.2	-172.6	-53.4	-93.9	0	0	0	113	W66 F70 M76 W195 V218	W66-F74 HydrophobicContact CH2-CD2 4.01Å; W66-F74 AromaticContact CH2-CE2 3.57Å; W66-F74 HydrophobicContact CH2-CE2 3.57Å; W66-F74 HydrophobicContact CH2-CZ 4.33Å; W66-F74 HydrophobicContact CZ2-CD2 4.43Å; W66-F74 HydrophobicContact CZ2-CE2 4.36Å; W66-F74 HydrophobicContact CZ3-CE2 4.46Å; F70-F74 HydrophobicContact CD1-CB 3.98Å; F70-F74 HydrophobicContact CE1-CB 3.75Å; F70-F74 HydrophobicContact CG-CB 4.48Å; F70-F74 HydrophobicContact CZ-CB 4.08Å; F70-F74 CarbonylContact O-C 3.4Å; F70-F74 WeakPolarHBondContact O-CA 3.45Å; F70-F74 WeakPolarHBondContact O-CB 3.29Å; F70-F74 PolarHBondContact O-N 3.44Å; F74-M76 PolarHBondContact O-N 3.39Å; F74-W195 HydrophobicContact CD1-CZ2 4.26Å; F74-W195 AromaticContact CD1-NE1 3.73Å; F74-W195 AromaticContact CE1-NE1 3.89Å; F74-V218 HydrophobicContact CE1-CB 4Å; F74-V218 HydrophobicContact CE1-CG1 3.51Å; F74-V218 HydrophobicContact CZ-CB 4.42Å; F74-V218 HydrophobicContact CZ-CG1 3.57Å
75	G	45.1	Very low	50.7	Low	40 Å²	40	95.7 Å²	95.7	41%	0.412	50%	0.496	S	S	.	.			trans	-34.6	119.4	-170.9	0	0	0	0	0	113.1	F70 D71 P77	F70-G75 PolarHBondContact O-N 3.29Å; D71-G75 WeakPolarHBondContact O-CA 3.37Å; D71-G75 PolarHBondContact O-N 2.96Å; G75-P77 VanDerWaalsContact O-N 3.17Å
76	M	36.2	Very low	50.8	Low	147 Å²	147	102.3 Å²	102.3	72%	0.724	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-57	125.7	-174.8	-63.2	-162.3	-165	0	0	108.7	F70 F74 S78	F70-M76 HydrophobicContact CE1-CE 4.42Å; F70-M76 HydrophobicContact CE1-CG 4.28Å; F74-M76 PolarHBondContact O-N 3.39Å; M76-S78 PolarHBondContact O-N 3.39Å
77	P	36.9	Very low	51.7	Low	117 Å²	117	104.3 Å²	104.3	76%	0.76	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-57.3	124.2	165.3	24.9	-30.9	0	0	0	105.9	G75 H79	G75-P77 VanDerWaalsContact O-N 3.17Å; P77-H79 PolarHBondContact O-N 2.86Å
78	S	33.5	Very low	52.9	Low	87 Å²	87	103.4 Å²	103.4	61%	0.608	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-47.1	144.5	177.2	60.9	0	0	0	0	108.9	M76 N80	M76-S78 PolarHBondContact O-N 3.39Å; S78-N80 PolarHBondContact O-N 3.37Å
79	H	36.9	Very low	54.1	Low	184 Å²	184	103.2 Å²	103.2	85%	0.852	55%	0.545	S	S	*	.			trans	-68.5	70.8	-178.8	-124.6	-89.2	0	0	0	109.7	P77 T81	P77-H79 PolarHBondContact O-N 2.86Å; H79-T81 PolarHBondContact O-N 3.19Å
80	N	35.3	Very low	55	Low	132 Å²	132	103.1 Å²	103.1	71%	0.706	54%	0.544	S	S	*	.			trans	-64.2	94.1	167.7	-94.8	-24.4	0	0	0	105.7	S78 R82	S78-N80 PolarHBondContact O-N 3.37Å; N80-R82 PolarHBondContact O-N 2.83Å
81	T	36.1	Very low	55.8	Low	121 Å²	121	104.2 Å²	104.2	74%	0.742	57%	0.567	S	S	*	*			trans	-65.2	61.5	168.3	43.8	0	0	0	0	109.9	H79 T83	H79-T81 PolarHBondContact O-N 3.19Å; T81-T83 PolarHBondContact O-N 3.23Å; T81-T83 VanDerWaalsContact O-N 3.15Å
82	R	43.6	Very low	56.8	Low	222 Å²	222	105.6 Å²	105.6	84%	0.838	58%	0.578	S	S	*	*			trans	-55.6	119.3	146.4	-71.8	-172.9	179.6	-177.6	1.1	105.2	N80 K84	N80-R82 PolarHBondContact O-N 2.83Å; R82-K84 PolarHBondContact O-N 2.7Å
83	T	46	Very low	58.2	Low	139 Å²	139	100.5 Å²	100.5	85%	0.853	56%	0.559	S	S	*	*			trans	-53.4	95.9	178.4	46.6	0	0	0	0	109.7	T81	T81-T83 PolarHBondContact O-N 3.23Å; T81-T83 VanDerWaalsContact O-N 3.15Å
84	K	55.3	Low	59.6	Low	124 Å²	124	97.4 Å²	97.4	54%	0.539	55%	0.553	S	S	.	*			trans	-57.5	138.2	168	-77.6	-173.2	164.3	-171.9	0	108.2	R82 E103	R82-K84 PolarHBondContact O-N 2.7Å; K84-E103 IonicContact NZ-OE1 2.66Å; K84-E103 PolarHBondContact NZ-OE1 3.33Å; K84-E103 IonicContact NZ-OE2 2.67Å; K84-E103 PolarHBondContact NZ-OE2 2.9Å
85	S	62	Low	60.6	Low	51 Å²	51	105.5 Å²	105.5	36%	0.357	59%	0.591	S	S	.	*			trans	-78.5	138.1	179	-166.6	0	0	0	0	109	V87 D101	S85-V87 PolarHBondContact O-N 3.27Å; S85-V87 WeakPolarHBondContact OG-CG2 3.09Å; S85-V87 PolarHBondContact OG-N 3.07Å; S85-D101 WeakPolarHBondContact CB-OD1 3.48Å; S85-D101 PolarHBondContact N-OD2 3.19Å
86	N	68.4	Low	62.5	Low	139 Å²	139	109.7 Å²	109.7	74%	0.743	60%	0.603	S	S	*	*			trans	-79.3	6.9	172.6	-70.5	-25	0	0	0	112.4
87	V	80.2	Confident	65.1	Low	86 Å²	86	103.5 Å²	103.5	52%	0.521	57%	0.574	S	S	.	*			trans	-83.5	129.2	178.5	-179.7	0	0	0	0	109.7	S85 L89 D101	S85-V87 PolarHBondContact O-N 3.27Å; S85-V87 WeakPolarHBondContact OG-CG2 3.09Å; S85-V87 PolarHBondContact OG-N 3.07Å; V87-L89 HydrophobicContact CG1-CD2 4.23Å; V87-D101 WeakPolarHBondContact O-CA 3.46Å; V87-D101 PolarHBondContact O-N 3.22Å
88	C	83.6	Confident	67.5	Low	48 Å²	48	103.1 Å²	103.1	32%	0.324	56%	0.562	S	S	.	*	B	Isolated β-bridge	trans	-80.7	123.3	173	-178.3	0	0	0	0	111	C99	C88-C99 WeakPolarHBondContact CA-SG 3.46Å; C88-C99 HydrophobicContact CB-CB 3.66Å; C88-C99 WeakPolarHBondContact CB-SG 3.46Å; C88-C99 WeakPolarHBondContact SG-CB 3.45Å; C88-C99 CovalentContact SG-SG 2.03Å; C88-C99 PolarHBondContact SG-SG 2.8Å
89	L	84.5	Confident	70.1	Confident	98 Å²	98	100 Å²	100	51%	0.513	54%	0.54	S	S	.	.			trans	-101.8	6.9	175.4	-56.7	175.5	0	0	0	112.8	V87 D101 L102	V87-L89 HydrophobicContact CG1-CD2 4.23Å; L89-D101 WeakPolarHBondContact CB-O 3.3Å; L89-D101 PolarHBondContact N-O 2.98Å; L89-L102 HydrophobicContact CB-CD2 3.78Å; L89-L102 HydrophobicContact CD1-CD2 4.48Å
90	L	79.9	Confident	72.5	Confident	3 Å²	3	97.2 Å²	97.2	2%	0.016	52%	0.522	C	S	.	.	S	Bend	trans	-94.5	3.8	-177.5	-57.8	-179.9	0	0	0	114.5	V93 L102 L104 A118 V121	L90-V93 HydrophobicContact CB-CG2 4.16Å; L90-L102 HydrophobicContact CD2-CB 4.45Å; L90-L102 HydrophobicContact CD2-CD2 3.81Å; L90-L104 HydrophobicContact CD1-CB 3.92Å; L90-A118 HydrophobicContact CB-CB 4.39Å; L90-A118 HydrophobicContact CD2-CB 4.34Å; L90-A118 WeakPolarHBondContact O-CB 3.3Å; L90-V121 HydrophobicContact CD1-CB 4.31Å; L90-V121 HydrophobicContact CD1-CG2 4.01Å; L90-V121 HydrophobicContact CD2-CB 3.88Å; L90-V121 HydrophobicContact CD2-CG2 4.42Å
91	G	79.4	Confident	75	Confident	62 Å²	62	93.1 Å²	93.1	64%	0.639	50%	0.5	S	S	*	.			trans	74.7	-129.6	178.5	0	0	0	0	0	113
92	V	79.6	Confident	77.5	Confident	136 Å²	136	89.5 Å²	89.5	82%	0.824	48%	0.476	S	S	*	.	S	Bend	trans	-79.8	129.7	177.5	-177.9	0	0	0	0	109.6
93	V	85.3	Confident	79.7	Confident	31 Å²	31	81.7 Å²	81.7	19%	0.188	45%	0.449	C	S	.	.			trans	-130.9	145.9	-175.4	174.3	0	0	0	0	107.9	L90 C97 C99 L104	L90-V93 HydrophobicContact CB-CG2 4.16Å; V93-C97 HydrophobicContact CG1-CB 3.68Å; V93-C99 HydrophobicContact CG1-CB 4.43Å; V93-C99 HydrophobicContact CG2-CB 4.12Å; V93-L104 HydrophobicContact CG1-CD1 3.46Å; V93-L104 VanDerWaalsContact CG1-CD1 3.46Å; V93-L104 HydrophobicContact CG2-CD1 4.46Å
94	P	84.8	Confident	81.9	Confident	46 Å²	46	75.1 Å²	75.1	30%	0.299	41%	0.409	S	S	.	.			trans	-60.5	145.4	-179.7	-22	32.8	0	0	0	112.6	L96 C97 P115	P94-L96 PolarHBondContact O-N 2.96Å; P94-C97 WeakPolarHBondContact O-CB 3.32Å; P94-C97 PolarHBondContact O-N 3.37Å; P94-P115 HydrophobicContact CG-CB 3.87Å
95	E	79.5	Confident	83.7	Confident	203 Å²	203	72.2 Å²	72.2	95%	0.949	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.6	-171.9	-61.8	-176.7	159.4	0	0	114.9
96	L	86.3	Confident	85.1	Confident	128 Å²	128	69.8 Å²	69.8	67%	0.67	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	2.1	178.1	-63.5	176.4	0	0	0	113.6	P94 A109	P94-L96 PolarHBondContact O-N 2.96Å; L96-A109 HydrophobicContact CB-CB 3.73Å; L96-A109 HydrophobicContact CD1-CB 4.49Å
97	C	88.9	Confident	86.2	Confident	16 Å²	16	65.2 Å²	65.2	11%	0.108	36%	0.358	C	S	.	.			trans	-109.3	140.4	179.9	-56.3	0	0	0	0	111.4	V93 P94 L104 D105 C106	V93-C97 HydrophobicContact CG1-CB 3.68Å; P94-C97 WeakPolarHBondContact O-CB 3.32Å; P94-C97 PolarHBondContact O-N 3.37Å; C97-L104 HydrophobicContact CB-CD1 3.99Å; C97-D105 CarbonylContact C-O 3.26Å; C97-D105 VanDerWaalsContact CA-O 3.31Å; C97-D105 WeakPolarHBondContact CA-O 3.44Å; C97-C106 HydrophobicContact CB-CB 3.99Å; C97-C106 WeakPolarHBondContact CB-SG 3.26Å; C97-C106 VanDerWaalsContact SG-CA 3.57Å; C97-C106 WeakPolarHBondContact SG-CB 3.27Å; C97-C106 CovalentContact SG-SG 2.03Å; C97-C106 PolarHBondContact SG-SG 3.34Å
98	Q	88.7	Confident	86.6	Confident	110 Å²	110	64.2 Å²	64.2	51%	0.514	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	150.3	169.8	-60.2	-174.8	26.3	0	0	110.6	D105	Q98-D105 PolarHBondContact N-O 2.67Å; Q98-D105 PolarHBondContact O-N 2.95Å
99	C	88.6	Confident	86.9	Confident	22 Å²	22	62.5 Å²	62.5	15%	0.149	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133.3	177.3	175.7	0	0	0	0	109.7	C88 V93 E103	C88-C99 WeakPolarHBondContact CA-SG 3.46Å; C88-C99 HydrophobicContact CB-CB 3.66Å; C88-C99 WeakPolarHBondContact CB-SG 3.46Å; C88-C99 WeakPolarHBondContact SG-CB 3.45Å; C88-C99 CovalentContact SG-SG 2.03Å; C88-C99 PolarHBondContact SG-SG 2.8Å; V93-C99 HydrophobicContact CG1-CB 4.43Å; V93-C99 HydrophobicContact CG2-CB 4.12Å; C99-E103 WeakPolarHBondContact CA-O 3.22Å
100	R	87	Confident	87.2	Confident	125 Å²	125	63.1 Å²	63.1	47%	0.472	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	123.3	176.7	-56.8	-177	-165.9	176.5	7.3	108.8	L102 E103	R100-L102 PolarHBondContact O-N 3.48Å; R100-E103 PolarHBondContact N-O 3.47Å; R100-E103 WeakPolarHBondContact O-CA 3.47Å; R100-E103 WeakPolarHBondContact O-CB 3.21Å; R100-E103 PolarHBondContact O-N 3.16Å
101	D	86.7	Confident	87.7	Confident	45 Å²	45	64.6 Å²	64.6	24%	0.241	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	49.9	-108.4	-170.5	-70.9	-53.4	0	0	0	111.6	S85 V87 L89	S85-D101 WeakPolarHBondContact CB-OD1 3.48Å; S85-D101 PolarHBondContact N-OD2 3.19Å; V87-D101 WeakPolarHBondContact O-CA 3.46Å; V87-D101 PolarHBondContact O-N 3.22Å; L89-D101 WeakPolarHBondContact CB-O 3.3Å; L89-D101 PolarHBondContact N-O 2.98Å
102	L	89.3	Confident	88.3	Confident	46 Å²	46	70.8 Å²	70.8	24%	0.241	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	17.1	177.7	-61.6	172.7	0	0	0	112.7	L89 L90 R100 N120 T122	L89-L102 HydrophobicContact CB-CD2 3.78Å; L89-L102 HydrophobicContact CD1-CD2 4.48Å; L90-L102 HydrophobicContact CD2-CB 4.45Å; L90-L102 HydrophobicContact CD2-CD2 3.81Å; R100-L102 PolarHBondContact O-N 3.48Å; L102-N120 HydrophobicContact CD2-CB 4.4Å; L102-N120 VanDerWaalsContact CD2-ND2 3.34Å; L102-N120 WeakPolarHBondContact CD2-ND2 3.47Å; L102-T122 HydrophobicContact CB-CG2 4.03Å; L102-T122 HydrophobicContact CD1-CG2 4.04Å; L102-T122 PolarHBondContact O-N 3.13Å; L102-T122 PolarHBondContact O-OG1 3.35Å
103	E	90.2	Very high	88.8	Confident	57 Å²	57	70 Å²	70	27%	0.266	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.7	178.2	-50.8	-173.9	150.2	0	0	109.7	K84 C99 R100 V123	K84-E103 IonicContact NZ-OE1 2.66Å; K84-E103 PolarHBondContact NZ-OE1 3.33Å; K84-E103 IonicContact NZ-OE2 2.67Å; K84-E103 PolarHBondContact NZ-OE2 2.9Å; C99-E103 WeakPolarHBondContact CA-O 3.22Å; R100-E103 PolarHBondContact N-O 3.47Å; R100-E103 WeakPolarHBondContact O-CA 3.47Å; R100-E103 WeakPolarHBondContact O-CB 3.21Å; R100-E103 PolarHBondContact O-N 3.16Å; E103-V123 HydrophobicContact CB-CB 4Å; E103-V123 HydrophobicContact CG-CB 3.89Å; E103-V123 HydrophobicContact CG-CG2 3.92Å
104	L	92.6	Very high	89.1	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.8	174	177.9	69.5	0	0	0	109.9	L90 V93 C97 P115 V117 V121 V123 M124 S125	L90-L104 HydrophobicContact CD1-CB 3.92Å; V93-L104 HydrophobicContact CG1-CD1 3.46Å; V93-L104 VanDerWaalsContact CG1-CD1 3.46Å; V93-L104 HydrophobicContact CG2-CD1 4.46Å; C97-L104 HydrophobicContact CB-CD1 3.99Å; L104-P115 HydrophobicContact CD2-CG 4.28Å; L104-V117 HydrophobicContact CD1-CG1 4.35Å; L104-V117 HydrophobicContact CD2-CB 4.47Å; L104-V117 HydrophobicContact CD2-CG1 3.77Å; L104-V117 HydrophobicContact CD2-CG2 4.01Å; L104-V121 HydrophobicContact CB-CG2 4.18Å; L104-V123 PolarHBondContact N-O 3.11Å; L104-M124 HydrophobicContact CD2-CE 4.14Å; L104-M124 HydrophobicContact CD2-CG 4.3Å; L104-S125 PolarHBondContact O-N 3.26Å
105	D	92.2	Very high	89.4	Confident	62 Å²	62	68.9 Å²	68.9	33%	0.332	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	103.9	174.8	-168.6	20	0	0	0	111.9	C97 Q98 D107 S125	C97-D105 CarbonylContact C-O 3.26Å; C97-D105 VanDerWaalsContact CA-O 3.31Å; C97-D105 WeakPolarHBondContact CA-O 3.44Å; Q98-D105 PolarHBondContact N-O 2.67Å; Q98-D105 PolarHBondContact O-N 2.95Å; D105-D107 PolarHBondContact OD1-N 2.84Å; D105-S125 WeakPolarHBondContact OD1-CB 3.33Å; D105-S125 PolarHBondContact OD1-OG 2.97Å
106	C	92.1	Very high	89.7	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.327	C	S	.	.			trans	-108.3	37	178.2	-66.2	0	0	0	0	111.6	C97 S108 A109 L111 S125 L126 N129	C97-C106 HydrophobicContact CB-CB 3.99Å; C97-C106 WeakPolarHBondContact CB-SG 3.26Å; C97-C106 VanDerWaalsContact SG-CA 3.57Å; C97-C106 WeakPolarHBondContact SG-CB 3.27Å; C97-C106 CovalentContact SG-SG 2.03Å; C97-C106 PolarHBondContact SG-SG 3.34Å; C106-S108 PolarHBondContact O-N 3.27Å; C106-A109 HydrophobicContact CB-CB 4.33Å; C106-A109 WeakPolarHBondContact O-CB 3.3Å; C106-A109 PolarHBondContact O-N 3.46Å; C106-L111 HydrophobicContact CB-CD1 3.71Å; C106-S125 PolarHBondContact N-O 3.1Å; C106-L126 HydrophobicContact CB-CD2 3.86Å; C106-N129 PolarHBondContact O-ND2 3Å
107	D	90.1	Very high	89.8	Confident	44 Å²	44	60.1 Å²	60.1	24%	0.235	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	129.3	177.1	-170.5	-15.8	0	0	0	111.8	D105 A109 Q127 R128	D105-D107 PolarHBondContact OD1-N 2.84Å; D107-A109 PolarHBondContact O-N 3.06Å; D107-Q127 HydrophobicContact CB-CG 4.01Å; D107-Q127 PolarHBondContact OD2-NE2 3.21Å; D107-R128 IonicContact OD1-CZ 2.77Å; D107-R128 IonicContact OD1-NE 2.69Å; D107-R128 PolarHBondContact OD1-NE 3.29Å; D107-R128 IonicContact OD1-NH2 3.48Å; D107-R128 IonicContact OD2-CZ 2.65Å; D107-R128 IonicContact OD2-NE 2.81Å; D107-R128 PolarHBondContact OD2-NE 3.16Å; D107-R128 IonicContact OD2-NH2 3.41Å; D107-R128 PolarHBondContact OD2-NH2 2.78Å
108	S	89.4	Confident	89.7	Confident	65 Å²	65	60.9 Å²	60.9	46%	0.455	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	14.4	172.1	-55.9	0	0	0	0	115.6	C106 Q110 Q127 R128	C106-S108 PolarHBondContact O-N 3.27Å; S108-Q110 PolarHBondContact O-N 3.05Å; S108-Q127 PolarHBondContact N-O 3.36Å; S108-Q127 VanDerWaalsContact N-O 3.15Å; S108-R128 WeakPolarHBondContact OG-CB 3.48Å
109	A	89.4	Confident	89.6	Confident	11 Å²	11	61.1 Å²	61.1	9%	0.091	31%	0.31	C	S	.	.			trans	-71	10	179.3	0	0	0	0	0	115	L96 C106 D107 L111 N129	L96-A109 HydrophobicContact CB-CB 3.73Å; L96-A109 HydrophobicContact CD1-CB 4.49Å; C106-A109 HydrophobicContact CB-CB 4.33Å; C106-A109 WeakPolarHBondContact O-CB 3.3Å; C106-A109 PolarHBondContact O-N 3.46Å; D107-A109 PolarHBondContact O-N 3.06Å; A109-L111 HydrophobicContact CB-CD1 4.25Å; A109-L111 HydrophobicContact CB-CD2 4.43Å; A109-L111 HydrophobicContact CB-CG 3.92Å; A109-L111 PolarHBondContact O-N 2.95Å; A109-L111 VanDerWaalsContact O-N 3.1Å; A109-N129 PolarHBondContact N-OD1 3.42Å
110	Q	90.7	Very high	89.7	Confident	112 Å²	112	63 Å²	63	52%	0.523	32%	0.319	S	S	.	.			trans	55.4	21.7	-179.8	-50.4	-169.4	23.4	0	0	115.7	S108 N129	S108-Q110 PolarHBondContact O-N 3.05Å; Q110-N129 PolarHBondContact N-OD1 2.87Å
111	L	91	Very high	89.9	Confident	34 Å²	34	57 Å²	57	18%	0.178	30%	0.296	C	S	.	.			trans	-60.9	137	-175.4	-60.9	174	0	0	0	111.8	C106 A109 P115 L126 N129 R130 L131	C106-L111 HydrophobicContact CB-CD1 3.71Å; A109-L111 HydrophobicContact CB-CD1 4.25Å; A109-L111 HydrophobicContact CB-CD2 4.43Å; A109-L111 HydrophobicContact CB-CG 3.92Å; A109-L111 PolarHBondContact O-N 2.95Å; A109-L111 VanDerWaalsContact O-N 3.1Å; L111-P115 HydrophobicContact CD1-CG 4.15Å; L111-L126 HydrophobicContact CD1-CD2 4.16Å; L111-N129 HydrophobicContact CB-CB 4.16Å; L111-N129 WeakPolarHBondContact CB-OD1 3.4Å; L111-N129 PolarHBondContact N-OD1 2.96Å; L111-R130 CarbonylContact O-C 3.54Å; L111-R130 VanDerWaalsContact O-C 3.22Å; L111-R130 VanDerWaalsContact O-CA 3.31Å; L111-R130 WeakPolarHBondContact O-CA 3.49Å; L111-R130 PolarHBondContact O-N 3.36Å; L111-L131 PolarHBondContact O-N 3.38Å
112	R	92.1	Very high	90.2	Very high	192 Å²	192	56.3 Å²	56.3	73%	0.725	29%	0.293	S	S	*	.	S	Bend	trans	-101.9	-21.4	174.6	-61.5	-174.4	-174.3	-167.1	1.8	113.2
113	E	90.4	Very high	90.4	Very high	120 Å²	120	55 Å²	55	56%	0.561	29%	0.287	S	S	*	.	S	Bend	trans	-134.9	167.3	177.6	-53.6	-151.5	160.3	0	0	110.3	K135	E113-K135 IonicContact OE1-NZ 2.88Å; E113-K135 PolarHBondContact OE1-NZ 3.48Å; E113-K135 IonicContact OE2-NZ 3.9Å; E113-K135 PolarHBondContact OE2-NZ 3.45Å
114	I	91.6	Very high	90.6	Very high	39 Å²	39	52.2 Å²	52.2	20%	0.2	27%	0.274	C	S	.	.			trans	-70.4	129.5	-180	-60.3	160.5	0	0	0	109	L126 F139	I114-L126 HydrophobicContact CG1-CD1 4.47Å; I114-L126 HydrophobicContact CG2-CD1 4.33Å; I114-F139 HydrophobicContact CD1-CD1 4.19Å; I114-F139 HydrophobicContact CD1-CD2 4.23Å; I114-F139 HydrophobicContact CD1-CE1 3.68Å; I114-F139 HydrophobicContact CD1-CE2 3.72Å; I114-F139 HydrophobicContact CD1-CG 4.44Å; I114-F139 HydrophobicContact CD1-CZ 3.41Å; I114-F139 VanDerWaalsContact CD1-CZ 3.41Å; I114-F139 HydrophobicContact CG1-CE1 3.99Å; I114-F139 HydrophobicContact CG1-CZ 3.9Å; I114-F139 HydrophobicContact CG2-CD1 4.28Å; I114-F139 HydrophobicContact CG2-CE1 3.9Å
115	P	89.7	Confident	90.7	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.084	28%	0.277	C	S	.	.			trans	-74	143.4	-179.4	30.4	-33.9	0	0	0	111.6	P94 L104 L111 V117 L126	P94-P115 HydrophobicContact CG-CB 3.87Å; L104-P115 HydrophobicContact CD2-CG 4.28Å; L111-P115 HydrophobicContact CD1-CG 4.15Å; P115-V117 PolarHBondContact O-N 3.42Å; P115-L126 HydrophobicContact CG-CD2 3.75Å
116	V	87	Confident	90.8	Very high	133 Å²	133	49.7 Å²	49.7	81%	0.806	26%	0.261	S	S	*	.			trans	-84.3	109.8	177.1	-176.8	0	0	0	0	109.5
117	V	87.6	Confident	90.8	Very high	14 Å²	14	51.1 Å²	51.1	9%	0.085	27%	0.268	C	S	.	.			trans	-125.4	178	174.9	-63.1	0	0	0	0	111.8	L104 P115 V121 M124 Y142	L104-V117 HydrophobicContact CD1-CG1 4.35Å; L104-V117 HydrophobicContact CD2-CB 4.47Å; L104-V117 HydrophobicContact CD2-CG1 3.77Å; L104-V117 HydrophobicContact CD2-CG2 4.01Å; P115-V117 PolarHBondContact O-N 3.42Å; V117-V121 HydrophobicContact CG2-CG1 4.34Å; V117-M124 HydrophobicContact CG2-CE 3.78Å; V117-Y142 HydrophobicContact CG2-CE1 3.94Å; V117-Y142 PolarHBondContact N-OH 3.34Å; V117-Y142 WeakPolarHBondContact O-CE1 3.41Å; V117-Y142 PolarHBondContact O-OH 3.4Å
118	A	86.9	Confident	91	Very high	32 Å²	32	54.8 Å²	54.8	26%	0.264	28%	0.279	S	S	.	.			trans	-59.8	145.5	176.8	0	0	0	0	0	113.8	L90 N120 V121	L90-A118 HydrophobicContact CB-CB 4.39Å; L90-A118 HydrophobicContact CD2-CB 4.34Å; L90-A118 WeakPolarHBondContact O-CB 3.3Å; A118-N120 VanDerWaalsContact CB-OD1 3.22Å; A118-N120 WeakPolarHBondContact CB-OD1 3.2Å; A118-N120 PolarHBondContact O-N 3.15Å; A118-V121 PolarHBondContact O-N 2.93Å
119	I	87.3	Confident	91.2	Very high	115 Å²	115	52 Å²	52	59%	0.59	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-16.6	-173.4	61.9	173.6	0	0	0	114.9	N141	I119-N141 WeakPolarHBondContact CB-O 3.48Å; I119-N141 HydrophobicContact CG2-CB 4.2Å
120	N	89.6	Confident	91.5	Very high	62 Å²	62	57.4 Å²	57.4	33%	0.332	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	4.2	-176.6	62.5	-20	0	0	0	114	L102 A118 T122	L102-N120 HydrophobicContact CD2-CB 4.4Å; L102-N120 VanDerWaalsContact CD2-ND2 3.34Å; L102-N120 WeakPolarHBondContact CD2-ND2 3.47Å; A118-N120 VanDerWaalsContact CB-OD1 3.22Å; A118-N120 WeakPolarHBondContact CB-OD1 3.2Å; A118-N120 PolarHBondContact O-N 3.15Å; N120-T122 PolarHBondContact O-N 2.93Å
121	V	91.8	Very high	91.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.253	C	S	.	.			trans	-54.9	131.6	175	62.8	0	0	0	0	111.9	L90 L104 V117 A118 V123 M124 Y142 S144 L145	L90-V121 HydrophobicContact CD1-CB 4.31Å; L90-V121 HydrophobicContact CD1-CG2 4.01Å; L90-V121 HydrophobicContact CD2-CB 3.88Å; L90-V121 HydrophobicContact CD2-CG2 4.42Å; L104-V121 HydrophobicContact CB-CG2 4.18Å; V117-V121 HydrophobicContact CG2-CG1 4.34Å; A118-V121 PolarHBondContact O-N 2.93Å; V121-V123 VanDerWaalsContact CG2-O 3.25Å; V121-V123 WeakPolarHBondContact CG2-O 3.31Å; V121-M124 HydrophobicContact CG1-CE 4.02Å; V121-M124 HydrophobicContact CG2-CB 4.45Å; V121-M124 HydrophobicContact CG2-CE 4.45Å; V121-Y142 HydrophobicContact CG1-CD1 3.48Å; V121-Y142 VanDerWaalsContact CG1-CD1 3.48Å; V121-Y142 HydrophobicContact CG1-CE1 4.14Å; V121-Y142 HydrophobicContact CG1-CG 4Å; V121-S144 CarbonylContact O-C 3.5Å; V121-L145 HydrophobicContact CG1-CD1 4.32Å; V121-L145 HydrophobicContact CG2-CD1 4.36Å; V121-L145 WeakPolarHBondContact O-CA 3.47Å; V121-L145 PolarHBondContact O-N 2.94Å
122	T	92.9	Very high	91.9	Very high	29 Å²	29	54.3 Å²	54.3	18%	0.178	26%	0.261	C	S	.	.	S	Bend	trans	-107.4	-28.4	-177.8	58.9	0	0	0	0	112.5	L102 N120 Q146 K147	L102-T122 HydrophobicContact CB-CG2 4.03Å; L102-T122 HydrophobicContact CD1-CG2 4.04Å; L102-T122 PolarHBondContact O-N 3.13Å; L102-T122 PolarHBondContact O-OG1 3.35Å; N120-T122 PolarHBondContact O-N 2.93Å; T122-Q146 PolarHBondContact O-N 3.31Å; T122-K147 PolarHBondContact O-N 3.47Å
123	V	93.4	Very high	92	Very high	18 Å²	18	52.8 Å²	52.8	11%	0.109	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.8	175.2	-179.2	0	0	0	0	108.9	E103 L104 V121 K147 Y149	E103-V123 HydrophobicContact CB-CB 4Å; E103-V123 HydrophobicContact CG-CB 3.89Å; E103-V123 HydrophobicContact CG-CG2 3.92Å; L104-V123 PolarHBondContact N-O 3.11Å; V121-V123 VanDerWaalsContact CG2-O 3.25Å; V121-V123 WeakPolarHBondContact CG2-O 3.31Å; V123-K147 WeakPolarHBondContact CA-O 3.48Å; V123-K147 HydrophobicContact CG1-CB 4.18Å; V123-K147 HydrophobicContact CG2-CB 4.22Å; V123-K147 HydrophobicContact CG2-CD 4.23Å; V123-K147 HydrophobicContact CG2-CG 4.48Å; V123-Y149 HydrophobicContact CG1-CD2 4.46Å; V123-Y149 HydrophobicContact CG1-CE2 3.91Å
124	M	94.2	Very high	92.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	109.7	178.2	-179.2	175	-73.1	0	0	109.7	L104 V117 V121 L126 F139 Y142 L145 K147 L148 Y149	L104-M124 HydrophobicContact CD2-CE 4.14Å; L104-M124 HydrophobicContact CD2-CG 4.3Å; V117-M124 HydrophobicContact CG2-CE 3.78Å; V121-M124 HydrophobicContact CG1-CE 4.02Å; V121-M124 HydrophobicContact CG2-CB 4.45Å; V121-M124 HydrophobicContact CG2-CE 4.45Å; M124-L126 HydrophobicContact CG-CD1 4.21Å; M124-L126 HydrophobicContact CG-CD2 4.13Å; M124-L126 HydrophobicContact CG-CG 3.88Å; M124-L126 HydrophobicContact SD-CD1 3.96Å; M124-L126 HydrophobicContact SD-CG 4.28Å; M124-F139 HydrophobicContact SD-CD1 4.29Å; M124-F139 HydrophobicContact SD-CE1 4.03Å; M124-Y142 HydrophobicContact CE-CD2 4.18Å; M124-Y142 HydrophobicContact CE-CE2 4.16Å; M124-Y142 HydrophobicContact CE-CG 4.44Å; M124-L145 HydrophobicContact CB-CD1 3.6Å; M124-L145 HydrophobicContact CB-CD2 4.44Å; M124-K147 PolarHBondContact N-O 3.09Å; M124-L148 HydrophobicContact CB-CD1 4.13Å; M124-L148 HydrophobicContact CG-CD1 4.13Å; M124-L148 WeakPolarHBondContact O-CA 3.35Å; M124-L148 HydrophobicContact SD-CD1 4.3Å; M124-Y149 PolarHBondContact O-N 2.89Å
125	S	94.6	Very high	92.3	Very high	10 Å²	10	51 Å²	51	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115	172.4	164.3	0	0	0	0	109.9	L104 D105 C106	L104-S125 PolarHBondContact O-N 3.26Å; D105-S125 WeakPolarHBondContact OD1-CB 3.33Å; D105-S125 PolarHBondContact OD1-OG 2.97Å; C106-S125 PolarHBondContact N-O 3.1Å
126	L	94.4	Very high	92.4	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.26	C	S	.	.			trans	-120.8	28.5	174.3	-55.5	179.1	0	0	0	110.4	C106 L111 I114 P115 M124 N129 L131 F139 Y149 L150 N153	C106-L126 HydrophobicContact CB-CD2 3.86Å; L111-L126 HydrophobicContact CD1-CD2 4.16Å; I114-L126 HydrophobicContact CG1-CD1 4.47Å; I114-L126 HydrophobicContact CG2-CD1 4.33Å; P115-L126 HydrophobicContact CG-CD2 3.75Å; M124-L126 HydrophobicContact CG-CD1 4.21Å; M124-L126 HydrophobicContact CG-CD2 4.13Å; M124-L126 HydrophobicContact CG-CG 3.88Å; M124-L126 HydrophobicContact SD-CD1 3.96Å; M124-L126 HydrophobicContact SD-CG 4.28Å; L126-N129 PolarHBondContact O-ND2 3.2Å; L126-L131 HydrophobicContact CB-CD1 4.27Å; L126-L131 HydrophobicContact CD1-CD1 4.31Å; L126-F139 HydrophobicContact CD1-CE1 4.4Å; L126-Y149 CarbonylContact C-O 3.3Å; L126-Y149 PolarHBondContact N-O 3.39Å; L126-L150 HydrophobicContact CB-CD2 4.11Å; L126-L150 HydrophobicContact CD1-CD2 4.06Å; L126-N153 PolarHBondContact O-ND2 3.28Å
127	Q	92.6	Very high	92.6	Very high	30 Å²	30	51.8 Å²	51.8	14%	0.14	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	156.6	-177.1	70.3	-171.3	0	0	0	113.1	D107 S108 N129 Q151	D107-Q127 HydrophobicContact CB-CG 4.01Å; D107-Q127 PolarHBondContact OD2-NE2 3.21Å; S108-Q127 PolarHBondContact N-O 3.36Å; S108-Q127 VanDerWaalsContact N-O 3.15Å; Q127-N129 PolarHBondContact O-N 3.48Å; Q127-N129 VanDerWaalsContact O-N 3.17Å; Q127-N129 PolarHBondContact O-ND2 3.48Å; Q127-N129 VanDerWaalsContact O-ND2 3.07Å; Q127-Q151 CarbonylContact C-O 3.55Å; Q127-Q151 VanDerWaalsContact CA-O 3.23Å; Q127-Q151 WeakPolarHBondContact CA-O 3.33Å; Q127-Q151 HydrophobicContact CB-CG 3.75Å
128	R	93.7	Very high	92.7	Very high	121 Å²	121	52.4 Å²	52.4	46%	0.457	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	28.7	176.7	-68.2	-178.7	-86.6	-102.6	10.2	114.7	D107 S108 Q151 H152	D107-R128 IonicContact OD1-CZ 2.77Å; D107-R128 IonicContact OD1-NE 2.69Å; D107-R128 PolarHBondContact OD1-NE 3.29Å; D107-R128 IonicContact OD1-NH2 3.48Å; D107-R128 IonicContact OD2-CZ 2.65Å; D107-R128 IonicContact OD2-NE 2.81Å; D107-R128 PolarHBondContact OD2-NE 3.16Å; D107-R128 IonicContact OD2-NH2 3.41Å; D107-R128 PolarHBondContact OD2-NH2 2.78Å; S108-R128 WeakPolarHBondContact OG-CB 3.48Å; R128-Q151 PolarHBondContact N-O 3.4Å; R128-H152 WeakPolarHBondContact CA-O 3.28Å; R128-H152 HydrophobicContact CG-CB 3.8Å; R128-H152 PolarHBondContact N-O 3.05Å
129	N	95	Very high	93	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.032	24%	0.242	C	C	.	.	S	Bend	trans	-97.8	-169	177.8	-79.4	-66.3	0	0	0	111.8	C106 A109 Q110 L111 L126 Q127 L131 N153	C106-N129 PolarHBondContact O-ND2 3Å; A109-N129 PolarHBondContact N-OD1 3.42Å; Q110-N129 PolarHBondContact N-OD1 2.87Å; L111-N129 HydrophobicContact CB-CB 4.16Å; L111-N129 WeakPolarHBondContact CB-OD1 3.4Å; L111-N129 PolarHBondContact N-OD1 2.96Å; L126-N129 PolarHBondContact O-ND2 3.2Å; Q127-N129 PolarHBondContact O-N 3.48Å; Q127-N129 VanDerWaalsContact O-N 3.17Å; Q127-N129 PolarHBondContact O-ND2 3.48Å; Q127-N129 VanDerWaalsContact O-ND2 3.07Å; N129-L131 HydrophobicContact CB-CG 4.38Å; N129-N153 VanDerWaalsContact CA-OD1 3.27Å; N129-N153 WeakPolarHBondContact CA-OD1 3.15Å; N129-N153 WeakPolarHBondContact CB-OD1 3.37Å; N129-N153 PolarHBondContact N-OD1 3.41Å; N129-N153 PolarHBondContact O-OD1 3.13Å
130	R	94.9	Very high	93.2	Very high	125 Å²	125	49.4 Å²	49.4	47%	0.472	23%	0.231	S	C	.	.			trans	-116	31.1	-179	-61.8	-177.3	179.6	149.6	2.5	111.8	L111 H132 N153	L111-R130 CarbonylContact O-C 3.54Å; L111-R130 VanDerWaalsContact O-C 3.22Å; L111-R130 VanDerWaalsContact O-CA 3.31Å; L111-R130 WeakPolarHBondContact O-CA 3.49Å; L111-R130 PolarHBondContact O-N 3.36Å; R130-H132 PolarHBondContact O-N 2.99Å; R130-N153 PolarHBondContact N-OD1 3.25Å
131	L	95	Very high	93.2	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	24%	0.242	C	C	.	.			trans	-63.4	128.5	174.8	-56.5	178.2	0	0	0	109.4	L111 L126 N129 L150 N153 N154 I155	L111-L131 PolarHBondContact O-N 3.38Å; L126-L131 HydrophobicContact CB-CD1 4.27Å; L126-L131 HydrophobicContact CD1-CD1 4.31Å; N129-L131 HydrophobicContact CB-CG 4.38Å; L131-L150 HydrophobicContact CD1-CD2 3.6Å; L131-N153 HydrophobicContact CB-CB 4.19Å; L131-N153 VanDerWaalsContact CB-OD1 3.3Å; L131-N153 WeakPolarHBondContact CB-OD1 3.38Å; L131-N153 VanDerWaalsContact CG-OD1 3.27Å; L131-N153 WeakPolarHBondContact CG-OD1 3.45Å; L131-N153 PolarHBondContact N-OD1 2.77Å; L131-N154 CarbonylContact O-C 3.51Å; L131-N154 VanDerWaalsContact O-CA 3.32Å; L131-N154 WeakPolarHBondContact O-CA 3.46Å; L131-N154 PolarHBondContact O-N 3.36Å; L131-I155 HydrophobicContact CB-CD1 4.4Å; L131-I155 HydrophobicContact CB-CG1 4.02Å; L131-I155 PolarHBondContact O-N 3.15Å; L131-I155 VanDerWaalsContact O-N 3.12Å
132	H	94.1	Very high	93.3	Very high	77 Å²	77	52.1 Å²	52.1	36%	0.356	25%	0.245	S	C	.	.			trans	-108.1	-28.2	-178.7	-169.1	-52.3	0	0	0	113.1	R130 I155 Q156	R130-H132 PolarHBondContact O-N 2.99Å; H132-I155 WeakPolarHBondContact O-CA 3.34Å; H132-Q156 PolarHBondContact CE1-NE2 3.07Å; H132-Q156 PolarHBondContact CE1-OE1 2.8Å; H132-Q156 PolarHBondContact NE2-NE2 2.93Å; H132-Q156 VanDerWaalsContact NE2-NE2 3.12Å; H132-Q156 PolarHBondContact O-N 3.46Å
133	R	94.6	Very high	93.2	Very high	160 Å²	160	55.4 Å²	55.4	60%	0.604	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.8	141.2	-174.1	-58.9	-173.5	162	152.8	-2.1	110.6	D157	R133-D157 WeakPolarHBondContact CA-O 3.42Å; R133-D157 HydrophobicContact CB-CB 4.43Å; R133-D157 HydrophobicContact CG-CB 4.03Å; R133-D157 IonicContact CZ-OD2 2.66Å; R133-D157 IonicContact NE-OD2 3.66Å; R133-D157 PolarHBondContact NE-OD2 2.9Å; R133-D157 IonicContact NH2-OD2 3.38Å; R133-D157 PolarHBondContact NH2-OD2 3.42Å
134	L	95.3	Very high	93.3	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.2	168.5	-59.3	-178.4	0	0	0	109.1	F139 L150 I155 D157 V158 N159 A162 F163 L174	L134-F139 HydrophobicContact CD2-CE2 4.23Å; L134-F139 HydrophobicContact CD2-CZ 4.4Å; L134-L150 HydrophobicContact CD1-CD1 4.06Å; L134-L150 HydrophobicContact CD2-CD1 4.44Å; L134-I155 HydrophobicContact CD1-CD1 4.31Å; L134-I155 HydrophobicContact CD1-CG2 4.48Å; L134-I155 HydrophobicContact CD2-CD1 4.05Å; L134-I155 HydrophobicContact CG-CD1 4.19Å; L134-I155 HydrophobicContact CG-CG2 4.09Å; L134-D157 PolarHBondContact N-O 3.38Å; L134-V158 HydrophobicContact CB-CG1 4.46Å; L134-V158 HydrophobicContact CD1-CG1 4.26Å; L134-V158 HydrophobicContact CD1-CG2 4.22Å; L134-N159 VanDerWaalsContact O-CB 3.23Å; L134-N159 WeakPolarHBondContact O-CB 3.21Å; L134-N159 PolarHBondContact O-N 3.13Å; L134-N159 VanDerWaalsContact O-N 3.13Å; L134-A162 HydrophobicContact CB-CB 3.9Å; L134-F163 HydrophobicContact CD1-CE1 3.92Å; L134-F163 HydrophobicContact CD1-CE2 4.38Å; L134-F163 HydrophobicContact CD1-CZ 3.5Å; L134-F163 VanDerWaalsContact CD1-CZ 3.5Å; L134-L174 HydrophobicContact CD1-CD2 4.3Å
135	K	93.4	Very high	93.3	Very high	116 Å²	116	57.1 Å²	57.1	50%	0.504	27%	0.271	S	S	.	.			trans	-69.5	152.8	-179.3	-62.4	176	-174.8	172.3	0	110.8	E113 K137 G138	E113-K135 IonicContact OE1-NZ 2.88Å; E113-K135 PolarHBondContact OE1-NZ 3.48Å; E113-K135 IonicContact OE2-NZ 3.9Å; E113-K135 PolarHBondContact OE2-NZ 3.45Å; K135-K137 PolarHBondContact O-N 3.06Å; K135-G138 PolarHBondContact O-N 3.34Å; K135-G138 VanDerWaalsContact O-N 3.16Å
136	A	93.1	Very high	93.3	Very high	51 Å²	51	60.9 Å²	60.9	42%	0.421	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	134.2	173.5	0	0	0	0	0	111	G138 N159 D161	A136-G138 PolarHBondContact O-N 3.34Å; A136-G138 VanDerWaalsContact O-N 3.13Å; A136-N159 WeakPolarHBondContact CA-OD1 3.2Å; A136-N159 HydrophobicContact CB-CB 4.48Å; A136-N159 VanDerWaalsContact CB-OD1 3.28Å; A136-N159 WeakPolarHBondContact CB-OD1 3.35Å; A136-D161 HydrophobicContact CB-CB 4.12Å
137	K	90.1	Very high	93.4	Very high	112 Å²	112	63.8 Å²	63.8	49%	0.487	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	20.7	179.9	-57.2	179.9	-175.2	176.4	0	114.8	K135 F139 F140 D161	K135-K137 PolarHBondContact O-N 3.06Å; K137-F139 PolarHBondContact O-N 3.21Å; K137-F140 HydrophobicContact CB-CB 3.86Å; K137-F140 HydrophobicContact CB-CG 4.47Å; K137-F140 VanDerWaalsContact O-CB 3.29Å; K137-F140 WeakPolarHBondContact O-CB 3.29Å; K137-F140 PolarHBondContact O-N 3.13Å; K137-D161 WeakPolarHBondContact CA-O 3.24Å; K137-D161 HydrophobicContact CG-CB 4.43Å; K137-D161 PolarHBondContact N-O 3.32Å
138	G	89.3	Confident	93.6	Very high	27 Å²	27	62.4 Å²	62.4	28%	0.278	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.8	-175.8	0	0	0	0	0	115	K135 A136	K135-G138 PolarHBondContact O-N 3.34Å; K135-G138 VanDerWaalsContact O-N 3.16Å; A136-G138 PolarHBondContact O-N 3.34Å; A136-G138 VanDerWaalsContact O-N 3.13Å
139	F	93.5	Very high	93.7	Very high	1 Å²	1	59 Å²	59	0%	0.004	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	9.7	177.2	-57	-81.3	0	0	0	114.3	I114 M124 L126 L134 K137 N141 Y142 L148 L150 F163 L166	I114-F139 HydrophobicContact CD1-CD1 4.19Å; I114-F139 HydrophobicContact CD1-CD2 4.23Å; I114-F139 HydrophobicContact CD1-CE1 3.68Å; I114-F139 HydrophobicContact CD1-CE2 3.72Å; I114-F139 HydrophobicContact CD1-CG 4.44Å; I114-F139 HydrophobicContact CD1-CZ 3.41Å; I114-F139 VanDerWaalsContact CD1-CZ 3.41Å; I114-F139 HydrophobicContact CG1-CE1 3.99Å; I114-F139 HydrophobicContact CG1-CZ 3.9Å; I114-F139 HydrophobicContact CG2-CD1 4.28Å; I114-F139 HydrophobicContact CG2-CE1 3.9Å; M124-F139 HydrophobicContact SD-CD1 4.29Å; M124-F139 HydrophobicContact SD-CE1 4.03Å; L126-F139 HydrophobicContact CD1-CE1 4.4Å; L134-F139 HydrophobicContact CD2-CE2 4.23Å; L134-F139 HydrophobicContact CD2-CZ 4.4Å; K137-F139 PolarHBondContact O-N 3.21Å; F139-N141 PolarHBondContact O-N 3.15Å; F139-Y142 HydrophobicContact CB-CD2 4.32Å; F139-Y142 HydrophobicContact CD1-CD2 4.28Å; F139-Y142 PolarHBondContact O-N 3.01Å; F139-L148 HydrophobicContact CD1-CD2 4.29Å; F139-L148 HydrophobicContact CD2-CD2 4.36Å; F139-L148 HydrophobicContact CE1-CD1 4Å; F139-L148 HydrophobicContact CE1-CD2 4.03Å; F139-L148 HydrophobicContact CE2-CD2 4.1Å; F139-L148 HydrophobicContact CG-CD2 4.45Å; F139-L148 HydrophobicContact CZ-CD1 4.31Å; F139-L148 HydrophobicContact CZ-CD2 3.94Å; F139-L150 HydrophobicContact CE2-CD1 4.42Å; F139-L150 HydrophobicContact CZ-CD1 4.12Å; F139-L150 HydrophobicContact CZ-CD2 4.26Å; F139-F163 HydrophobicContact CD2-CD1 4.14Å; F139-F163 HydrophobicContact CD2-CE1 4.4Å; F139-F163 HydrophobicContact CE2-CD1 4.3Å; F139-F163 HydrophobicContact CE2-CE1 4.09Å; F139-L166 HydrophobicContact CB-CD1 3.81Å; F139-L166 HydrophobicContact CB-CD2 3.98Å; F139-L166 HydrophobicContact CB-CG 4.14Å; F139-L166 HydrophobicContact CG-CD1 4.33Å; F139-L166 WeakPolarHBondContact O-CD2 3.3Å
140	F	91.6	Very high	93.7	Very high	83 Å²	83	58.8 Å²	58.8	36%	0.364	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.1	-168.4	179.4	-97.6	0	0	0	114.9	K137 Y142	K137-F140 HydrophobicContact CB-CB 3.86Å; K137-F140 HydrophobicContact CB-CG 4.47Å; K137-F140 VanDerWaalsContact O-CB 3.29Å; K137-F140 WeakPolarHBondContact O-CB 3.29Å; K137-F140 PolarHBondContact O-N 3.13Å; F140-Y142 VanDerWaalsContact C-N 3.32Å
141	N	89.4	Confident	93.7	Very high	105 Å²	105	54.4 Å²	54.4	56%	0.561	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.5	178.4	-64.7	-11.3	0	0	0	113.4	I119 F139 Q143	I119-N141 WeakPolarHBondContact CB-O 3.48Å; I119-N141 HydrophobicContact CG2-CB 4.2Å; F139-N141 PolarHBondContact O-N 3.15Å; N141-Q143 PolarHBondContact O-N 2.89Å
142	Y	93.1	Very high	93.7	Very high	14 Å²	14	58 Å²	58	6%	0.055	28%	0.281	C	S	.	.			trans	-102.4	50.2	-171.7	-56.6	-54.9	0	0	0	112.6	V117 V121 M124 F139 F140 S144 L145 L166	V117-Y142 HydrophobicContact CG2-CE1 3.94Å; V117-Y142 PolarHBondContact N-OH 3.34Å; V117-Y142 WeakPolarHBondContact O-CE1 3.41Å; V117-Y142 PolarHBondContact O-OH 3.4Å; V121-Y142 HydrophobicContact CG1-CD1 3.48Å; V121-Y142 VanDerWaalsContact CG1-CD1 3.48Å; V121-Y142 HydrophobicContact CG1-CE1 4.14Å; V121-Y142 HydrophobicContact CG1-CG 4Å; M124-Y142 HydrophobicContact CE-CD2 4.18Å; M124-Y142 HydrophobicContact CE-CE2 4.16Å; M124-Y142 HydrophobicContact CE-CG 4.44Å; F139-Y142 HydrophobicContact CB-CD2 4.32Å; F139-Y142 HydrophobicContact CD1-CD2 4.28Å; F139-Y142 PolarHBondContact O-N 3.01Å; F140-Y142 VanDerWaalsContact C-N 3.32Å; Y142-S144 PolarHBondContact O-N 3.32Å; Y142-S144 VanDerWaalsContact O-N 3.14Å; Y142-L145 WeakPolarHBondContact O-CB 3.24Å; Y142-L145 PolarHBondContact O-N 3.36Å; Y142-L166 VanDerWaalsContact O-CD2 3.23Å; Y142-L166 WeakPolarHBondContact O-CD2 3.08Å
143	Q	92.8	Very high	93.8	Very high	98 Å²	98	54.7 Å²	54.7	46%	0.458	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.6	-173	-58.1	179.8	7.1	0	0	114.3	N141 L145 N168	N141-Q143 PolarHBondContact O-N 2.89Å; Q143-L145 VanDerWaalsContact C-N 3.34Å; Q143-N168 PolarHBondContact O-ND2 2.88Å
144	S	94.1	Very high	93.9	Very high	54 Å²	54	50 Å²	50	38%	0.378	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-5.1	173.9	-63	0	0	0	0	114	V121 Y142 Q146	V121-S144 CarbonylContact O-C 3.5Å; Y142-S144 PolarHBondContact O-N 3.32Å; Y142-S144 VanDerWaalsContact O-N 3.14Å; S144-Q146 PolarHBondContact O-N 2.84Å
145	L	95.2	Very high	93.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.252	C	S	.	.			trans	-68.1	127.2	-174.6	-168.4	70.7	0	0	0	111.3	V121 M124 Y142 Q143 L148 L166 N168 L169	V121-L145 HydrophobicContact CG1-CD1 4.32Å; V121-L145 HydrophobicContact CG2-CD1 4.36Å; V121-L145 WeakPolarHBondContact O-CA 3.47Å; V121-L145 PolarHBondContact O-N 2.94Å; M124-L145 HydrophobicContact CB-CD1 3.6Å; M124-L145 HydrophobicContact CB-CD2 4.44Å; Y142-L145 WeakPolarHBondContact O-CB 3.24Å; Y142-L145 PolarHBondContact O-N 3.36Å; Q143-L145 VanDerWaalsContact C-N 3.34Å; L145-L148 HydrophobicContact CD2-CB 4.03Å; L145-L148 HydrophobicContact CD2-CD1 4.3Å; L145-L148 HydrophobicContact CD2-CD2 4.19Å; L145-L148 HydrophobicContact CD2-CG 4.4Å; L145-L166 HydrophobicContact CB-CD2 4.29Å; L145-L166 HydrophobicContact CD2-CD1 4.5Å; L145-L166 HydrophobicContact CD2-CD2 4.37Å; L145-N168 CarbonylContact O-C 3.44Å; L145-N168 VanDerWaalsContact O-C 3.24Å; L145-L169 HydrophobicContact CB-CD1 4.47Å; L145-L169 HydrophobicContact CD2-CD1 4.06Å; L145-L169 HydrophobicContact CG-CD1 3.94Å; L145-L169 VanDerWaalsContact O-CA 3.3Å; L145-L169 WeakPolarHBondContact O-CA 3.4Å; L145-L169 PolarHBondContact O-N 3.46Å; L145-L169 VanDerWaalsContact O-N 3.16Å
146	Q	95	Very high	94	Very high	90 Å²	90	47.2 Å²	47.2	42%	0.421	24%	0.242	S	C	.	.			trans	-107.5	-36	-179.8	-61	179.2	8.2	0	0	112	T122 S144 T170 R171	T122-Q146 PolarHBondContact O-N 3.31Å; S144-Q146 PolarHBondContact O-N 2.84Å; Q146-T170 PolarHBondContact O-N 2.67Å; Q146-T170 PolarHBondContact O-OG1 2.97Å; Q146-R171 PolarHBondContact O-N 3.4Å; Q146-R171 VanDerWaalsContact O-N 3.12Å
147	K	95.1	Very high	94	Very high	62 Å²	62	48.3 Å²	48.3	27%	0.27	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.6	-178.4	-57.7	178.2	-174.2	172	0	110.9	T122 V123 M124 Y149 R171	T122-K147 PolarHBondContact O-N 3.47Å; V123-K147 WeakPolarHBondContact CA-O 3.48Å; V123-K147 HydrophobicContact CG1-CB 4.18Å; V123-K147 HydrophobicContact CG2-CB 4.22Å; V123-K147 HydrophobicContact CG2-CD 4.23Å; V123-K147 HydrophobicContact CG2-CG 4.48Å; M124-K147 PolarHBondContact N-O 3.09Å; K147-Y149 HydrophobicContact CB-CE2 4.02Å; K147-R171 WeakPolarHBondContact CA-O 3.43Å; K147-R171 HydrophobicContact CG-CB 4.36Å
148	L	96.3	Very high	94.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.2	179.3	179.6	53.6	0	0	0	110.4	M124 F139 L145 L150 F163 L166 L169 R171 L172 Y173	M124-L148 HydrophobicContact CB-CD1 4.13Å; M124-L148 HydrophobicContact CG-CD1 4.13Å; M124-L148 WeakPolarHBondContact O-CA 3.35Å; M124-L148 HydrophobicContact SD-CD1 4.3Å; F139-L148 HydrophobicContact CD1-CD2 4.29Å; F139-L148 HydrophobicContact CD2-CD2 4.36Å; F139-L148 HydrophobicContact CE1-CD1 4Å; F139-L148 HydrophobicContact CE1-CD2 4.03Å; F139-L148 HydrophobicContact CE2-CD2 4.1Å; F139-L148 HydrophobicContact CG-CD2 4.45Å; F139-L148 HydrophobicContact CZ-CD1 4.31Å; F139-L148 HydrophobicContact CZ-CD2 3.94Å; L145-L148 HydrophobicContact CD2-CB 4.03Å; L145-L148 HydrophobicContact CD2-CD1 4.3Å; L145-L148 HydrophobicContact CD2-CD2 4.19Å; L145-L148 HydrophobicContact CD2-CG 4.4Å; L148-L150 HydrophobicContact CD1-CD1 4.29Å; L148-L150 HydrophobicContact CD1-CD2 4.46Å; L148-L150 HydrophobicContact CD1-CG 4.07Å; L148-L150 HydrophobicContact CD2-CD1 3.92Å; L148-L150 HydrophobicContact CG-CD1 3.92Å; L148-L150 HydrophobicContact CG-CG 4.07Å; L148-F163 HydrophobicContact CD2-CD1 4.39Å; L148-F163 HydrophobicContact CD2-CE1 4.19Å; L148-L166 HydrophobicContact CD2-CD1 4.45Å; L148-L169 HydrophobicContact CB-CD1 3.86Å; L148-R171 PolarHBondContact N-O 3.49Å; L148-L172 HydrophobicContact CB-CD1 4.04Å; L148-L172 HydrophobicContact CD2-CD1 3.93Å; L148-L172 HydrophobicContact CG-CD1 3.98Å; L148-Y173 PolarHBondContact O-N 3.37Å
149	Y	95.9	Very high	94.6	Very high	51 Å²	51	45.2 Å²	45.2	20%	0.2	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.2	177.2	-51.9	-92.2	0	0	0	110.3	V123 M124 L126 K147 Y173	V123-Y149 HydrophobicContact CG1-CD2 4.46Å; V123-Y149 HydrophobicContact CG1-CE2 3.91Å; M124-Y149 PolarHBondContact O-N 2.89Å; L126-Y149 CarbonylContact C-O 3.3Å; L126-Y149 PolarHBondContact N-O 3.39Å; K147-Y149 HydrophobicContact CB-CE2 4.02Å; Y149-Y173 AromaticContact CD1-CD2 3.34Å; Y149-Y173 HydrophobicContact CD1-CD2 3.34Å; Y149-Y173 AromaticContact CD1-CE2 3.78Å; Y149-Y173 HydrophobicContact CD1-CE2 3.78Å; Y149-Y173 AromaticContact CD1-CG 3.79Å; Y149-Y173 HydrophobicContact CD1-CG 3.79Å; Y149-Y173 AromaticContact CE1-CD2 3.4Å; Y149-Y173 HydrophobicContact CE1-CD2 3.4Å; Y149-Y173 VanDerWaalsContact CE1-CD2 3.4Å; Y149-Y173 AromaticContact CE1-CE2 3.29Å; Y149-Y173 HydrophobicContact CE1-CE2 3.29Å; Y149-Y173 HydrophobicContact CE1-CG 4.13Å; Y149-Y173 AromaticContact CE1-CZ 3.95Å; Y149-Y173 HydrophobicContact CG-CD2 4.25Å
150	L	95.9	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.			trans	-120.2	12.3	179.4	-71	165.1	0	0	0	112.2	L126 L131 L134 F139 L148 N153 I155 F163 L172 Y173 L174 N177	L126-L150 HydrophobicContact CB-CD2 4.11Å; L126-L150 HydrophobicContact CD1-CD2 4.06Å; L131-L150 HydrophobicContact CD1-CD2 3.6Å; L134-L150 HydrophobicContact CD1-CD1 4.06Å; L134-L150 HydrophobicContact CD2-CD1 4.44Å; F139-L150 HydrophobicContact CE2-CD1 4.42Å; F139-L150 HydrophobicContact CZ-CD1 4.12Å; F139-L150 HydrophobicContact CZ-CD2 4.26Å; L148-L150 HydrophobicContact CD1-CD1 4.29Å; L148-L150 HydrophobicContact CD1-CD2 4.46Å; L148-L150 HydrophobicContact CD1-CG 4.07Å; L148-L150 HydrophobicContact CD2-CD1 3.92Å; L148-L150 HydrophobicContact CG-CD1 3.92Å; L148-L150 HydrophobicContact CG-CG 4.07Å; L150-N153 PolarHBondContact O-ND2 2.96Å; L150-I155 HydrophobicContact CB-CD1 4.16Å; L150-I155 HydrophobicContact CD2-CD1 4.46Å; L150-F163 HydrophobicContact CD1-CE1 4.19Å; L150-L172 HydrophobicContact CD1-CD1 4.44Å; L150-Y173 WeakPolarHBondContact CA-O 3.3Å; L150-Y173 WeakPolarHBondContact CB-O 3.48Å; L150-Y173 PolarHBondContact N-O 2.96Å; L150-L174 HydrophobicContact CB-CD2 3.81Å; L150-L174 HydrophobicContact CD1-CD2 3.76Å; L150-L174 HydrophobicContact CG-CD2 4.45Å; L150-N177 PolarHBondContact O-ND2 2.95Å
151	Q	94.2	Very high	94.7	Very high	33 Å²	33	46.7 Å²	46.7	15%	0.154	24%	0.238	C	C	.	.			trans	-65.3	151.8	-176.1	61.5	-145.2	4.8	0	0	114.4	Q127 R128 N153 Y173 S175	Q127-Q151 CarbonylContact C-O 3.55Å; Q127-Q151 VanDerWaalsContact CA-O 3.23Å; Q127-Q151 WeakPolarHBondContact CA-O 3.33Å; Q127-Q151 HydrophobicContact CB-CG 3.75Å; R128-Q151 PolarHBondContact N-O 3.4Å; Q151-N153 PolarHBondContact O-ND2 3.47Å; Q151-Y173 VanDerWaalsContact OE1-CB 3.25Å; Q151-S175 CarbonylContact C-O 3.47Å; Q151-S175 WeakPolarHBondContact CA-O 3.38Å; Q151-S175 WeakPolarHBondContact CB-O 3.49Å
152	H	95.8	Very high	95	Very high	80 Å²	80	41.7 Å²	41.7	37%	0.37	21%	0.211	S	C	.	.	S	Bend	trans	54.9	48.1	-175.4	-57.3	-75.4	0	0	0	113.5	R128 S175 Y176	R128-H152 WeakPolarHBondContact CA-O 3.28Å; R128-H152 HydrophobicContact CG-CB 3.8Å; R128-H152 PolarHBondContact N-O 3.05Å; H152-S175 PolarHBondContact N-O 2.9Å; H152-Y176 VanDerWaalsContact CA-O 3.25Å; H152-Y176 WeakPolarHBondContact CA-O 3.34Å; H152-Y176 AromaticContact CE1-CD1 3.75Å; H152-Y176 AromaticContact CE1-CD2 3.46Å; H152-Y176 VanDerWaalsContact CE1-CD2 3.46Å; H152-Y176 WeakPolarHBondContact CE1-CD2 3.37Å; H152-Y176 AromaticContact CE1-CG 3.33Å; H152-Y176 PolarHBondContact N-O 3.47Å; H152-Y176 VanDerWaalsContact ND1-CB 3.31Å; H152-Y176 WeakPolarHBondContact ND1-CB 3.44Å; H152-Y176 AromaticContact ND1-CG 3.52Å; H152-Y176 AromaticContact NE2-CD2 3.88Å
153	N	95.9	Very high	95.1	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.043	21%	0.209	C	C	.	.	S	Bend	trans	-112.1	-172	170.9	-85.6	-86	0	0	0	110.1	L126 N129 R130 L131 L150 Q151 I155 Y176 N177	L126-N153 PolarHBondContact O-ND2 3.28Å; N129-N153 VanDerWaalsContact CA-OD1 3.27Å; N129-N153 WeakPolarHBondContact CA-OD1 3.15Å; N129-N153 WeakPolarHBondContact CB-OD1 3.37Å; N129-N153 PolarHBondContact N-OD1 3.41Å; N129-N153 PolarHBondContact O-OD1 3.13Å; R130-N153 PolarHBondContact N-OD1 3.25Å; L131-N153 HydrophobicContact CB-CB 4.19Å; L131-N153 VanDerWaalsContact CB-OD1 3.3Å; L131-N153 WeakPolarHBondContact CB-OD1 3.38Å; L131-N153 VanDerWaalsContact CG-OD1 3.27Å; L131-N153 WeakPolarHBondContact CG-OD1 3.45Å; L131-N153 PolarHBondContact N-OD1 2.77Å; L150-N153 PolarHBondContact O-ND2 2.96Å; Q151-N153 PolarHBondContact O-ND2 3.47Å; N153-I155 HydrophobicContact CB-CD1 4.12Å; N153-I155 HydrophobicContact CB-CG1 3.96Å; N153-Y176 PolarHBondContact N-O 3.28Å; N153-N177 VanDerWaalsContact CA-OD1 3.31Å; N153-N177 WeakPolarHBondContact CA-OD1 3.44Å; N153-N177 WeakPolarHBondContact CB-OD1 3.43Å; N153-N177 PolarHBondContact N-OD1 3.39Å; N153-N177 PolarHBondContact O-OD1 2.78Å
154	N	95.9	Very high	95.2	Very high	60 Å²	60	41.5 Å²	41.5	32%	0.321	21%	0.207	S	C	.	.			trans	-109.4	28.6	175.6	-77.3	-63.1	0	0	0	111.8	L131 Q156 K178	L131-N154 CarbonylContact O-C 3.51Å; L131-N154 VanDerWaalsContact O-CA 3.32Å; L131-N154 WeakPolarHBondContact O-CA 3.46Å; L131-N154 PolarHBondContact O-N 3.36Å; N154-Q156 PolarHBondContact O-N 3.48Å; N154-K178 WeakPolarHBondContact OD1-CE 3.27Å; N154-K178 PolarHBondContact OD1-NZ 3.47Å
155	I	96.8	Very high	95.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.			trans	-66.2	118.8	-173	-58.7	166.7	0	0	0	109	L131 H132 L134 L150 N153 V158 L174 N177 K178 I179	L131-I155 HydrophobicContact CB-CD1 4.4Å; L131-I155 HydrophobicContact CB-CG1 4.02Å; L131-I155 PolarHBondContact O-N 3.15Å; L131-I155 VanDerWaalsContact O-N 3.12Å; H132-I155 WeakPolarHBondContact O-CA 3.34Å; L134-I155 HydrophobicContact CD1-CD1 4.31Å; L134-I155 HydrophobicContact CD1-CG2 4.48Å; L134-I155 HydrophobicContact CD2-CD1 4.05Å; L134-I155 HydrophobicContact CG-CD1 4.19Å; L134-I155 HydrophobicContact CG-CG2 4.09Å; L150-I155 HydrophobicContact CB-CD1 4.16Å; L150-I155 HydrophobicContact CD2-CD1 4.46Å; N153-I155 HydrophobicContact CB-CD1 4.12Å; N153-I155 HydrophobicContact CB-CG1 3.96Å; I155-V158 HydrophobicContact CG2-CG2 3.92Å; I155-L174 HydrophobicContact CD1-CD2 4.34Å; I155-N177 HydrophobicContact CB-CB 4.28Å; I155-N177 VanDerWaalsContact CB-OD1 3.26Å; I155-N177 WeakPolarHBondContact CB-OD1 3.46Å; I155-N177 WeakPolarHBondContact CG1-OD1 3.26Å; I155-N177 PolarHBondContact N-OD1 3.22Å; I155-K178 CarbonylContact O-C 3.14Å; I155-K178 WeakPolarHBondContact O-CA 3.47Å; I155-K178 PolarHBondContact O-N 3.23Å; I155-I179 HydrophobicContact CB-CG1 4.5Å; I155-I179 HydrophobicContact CG2-CD1 4.5Å; I155-I179 HydrophobicContact CG2-CG1 4.16Å; I155-I179 WeakPolarHBondContact O-CG1 3.33Å; I155-I179 PolarHBondContact O-N 3.12Å; I155-I179 VanDerWaalsContact O-N 3.12Å
156	Q	95.2	Very high	95.2	Very high	63 Å²	63	39.1 Å²	39.1	29%	0.294	19%	0.19	S	C	.	.			trans	-106.6	-47.2	174.7	-72	162.8	47.5	0	0	110.8	H132 N154 K178	H132-Q156 PolarHBondContact CE1-NE2 3.07Å; H132-Q156 PolarHBondContact CE1-OE1 2.8Å; H132-Q156 PolarHBondContact NE2-NE2 2.93Å; H132-Q156 VanDerWaalsContact NE2-NE2 3.12Å; H132-Q156 PolarHBondContact O-N 3.46Å; N154-Q156 PolarHBondContact O-N 3.48Å; Q156-K178 WeakPolarHBondContact CA-O 3.49Å; Q156-K178 HydrophobicContact CG-CB 3.65Å
157	D	93.4	Very high	95.1	Very high	74 Å²	74	38.6 Å²	38.6	40%	0.396	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121	-174.6	-51	-62.2	0	0	0	110.9	R133 L134	R133-D157 WeakPolarHBondContact CA-O 3.42Å; R133-D157 HydrophobicContact CB-CB 4.43Å; R133-D157 HydrophobicContact CG-CB 4.03Å; R133-D157 IonicContact CZ-OD2 2.66Å; R133-D157 IonicContact NE-OD2 3.66Å; R133-D157 PolarHBondContact NE-OD2 2.9Å; R133-D157 IonicContact NH2-OD2 3.38Å; R133-D157 PolarHBondContact NH2-OD2 3.42Å; L134-D157 PolarHBondContact N-O 3.38Å
158	V	95.8	Very high	95.2	Very high	12 Å²	12	38.4 Å²	38.4	7%	0.073	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.7	171.1	-176.3	0	0	0	0	108.6	L134 I155 A162 F163 I179 L182 V186	L134-V158 HydrophobicContact CB-CG1 4.46Å; L134-V158 HydrophobicContact CD1-CG1 4.26Å; L134-V158 HydrophobicContact CD1-CG2 4.22Å; I155-V158 HydrophobicContact CG2-CG2 3.92Å; V158-A162 HydrophobicContact CG1-CB 4.12Å; V158-F163 HydrophobicContact CG1-CE2 3.79Å; V158-F163 HydrophobicContact CG1-CZ 4.37Å; V158-I179 HydrophobicContact CG2-CD1 3.99Å; V158-I179 HydrophobicContact CG2-CG1 4.17Å; V158-I179 HydrophobicContact CG2-CG2 4.38Å; V158-L182 HydrophobicContact CB-CD2 4.39Å; V158-L182 HydrophobicContact CG2-CD2 4.41Å; V158-V186 HydrophobicContact CG1-CG2 3.71Å
159	N	95.1	Very high	95.2	Very high	62 Å²	62	38.4 Å²	38.4	33%	0.332	19%	0.189	S	C	.	.			trans	-69.3	143.5	177.5	-173.6	-83	0	0	0	111.2	L134 A136 D161 A162	L134-N159 VanDerWaalsContact O-CB 3.23Å; L134-N159 WeakPolarHBondContact O-CB 3.21Å; L134-N159 PolarHBondContact O-N 3.13Å; L134-N159 VanDerWaalsContact O-N 3.13Å; A136-N159 WeakPolarHBondContact CA-OD1 3.2Å; A136-N159 HydrophobicContact CB-CB 4.48Å; A136-N159 VanDerWaalsContact CB-OD1 3.28Å; A136-N159 WeakPolarHBondContact CB-OD1 3.35Å; N159-D161 PolarHBondContact O-N 2.99Å; N159-D161 VanDerWaalsContact O-N 3.16Å; N159-D161 PolarHBondContact OD1-N 2.92Å; N159-A162 HydrophobicContact CB-CB 4.37Å; N159-A162 WeakPolarHBondContact O-CB 3.26Å; N159-A162 PolarHBondContact O-N 2.93Å
160	P	93.3	Very high	95.1	Very high	57 Å²	57	37.3 Å²	37.3	37%	0.37	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.5	178.2	-26.1	32.9	0	0	0	114.7	M183 V186	P160-M183 HydrophobicContact CB-CB 4.46Å; P160-M183 HydrophobicContact CG-CB 3.84Å; P160-M183 HydrophobicContact CG-CG 4.03Å; P160-V186 WeakPolarHBondContact O-CA 3.5Å
161	D	95	Very high	95.1	Very high	57 Å²	57	40.3 Å²	40.3	31%	0.305	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	10.5	178.1	-80.6	-47	0	0	0	113	A136 K137 N159 F163 R164	A136-D161 HydrophobicContact CB-CB 4.12Å; K137-D161 WeakPolarHBondContact CA-O 3.24Å; K137-D161 HydrophobicContact CG-CB 4.43Å; K137-D161 PolarHBondContact N-O 3.32Å; N159-D161 PolarHBondContact O-N 2.99Å; N159-D161 VanDerWaalsContact O-N 3.16Å; N159-D161 PolarHBondContact OD1-N 2.92Å; D161-F163 PolarHBondContact O-N 3.26Å; D161-R164 WeakPolarHBondContact O-CB 3.4Å; D161-R164 PolarHBondContact O-N 2.96Å; D161-R164 WeakPolarHBondContact OD1-CD 3.28Å; D161-R164 IonicContact OD1-CZ 3.13Å; D161-R164 IonicContact OD1-NE 3.89Å; D161-R164 IonicContact OD1-NH1 3.89Å; D161-R164 PolarHBondContact OD1-NH1 3.49Å; D161-R164 IonicContact OD2-NH1 2.77Å
162	A	95.1	Very high	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-43.7	-172.7	0	0	0	0	0	113.5	L134 V158 N159	L134-A162 HydrophobicContact CB-CB 3.9Å; V158-A162 HydrophobicContact CG1-CB 4.12Å; N159-A162 HydrophobicContact CB-CB 4.37Å; N159-A162 WeakPolarHBondContact O-CB 3.26Å; N159-A162 PolarHBondContact O-N 2.93Å
163	F	96	Very high	95.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	12.6	-177.5	-55	-66.3	0	0	0	113.8	L134 F139 L148 L150 V158 D161 L166 L172 L174 V186 F187 L190	L134-F163 HydrophobicContact CD1-CE1 3.92Å; L134-F163 HydrophobicContact CD1-CE2 4.38Å; L134-F163 HydrophobicContact CD1-CZ 3.5Å; L134-F163 VanDerWaalsContact CD1-CZ 3.5Å; F139-F163 HydrophobicContact CD2-CD1 4.14Å; F139-F163 HydrophobicContact CD2-CE1 4.4Å; F139-F163 HydrophobicContact CE2-CD1 4.3Å; F139-F163 HydrophobicContact CE2-CE1 4.09Å; L148-F163 HydrophobicContact CD2-CD1 4.39Å; L148-F163 HydrophobicContact CD2-CE1 4.19Å; L150-F163 HydrophobicContact CD1-CE1 4.19Å; V158-F163 HydrophobicContact CG1-CE2 3.79Å; V158-F163 HydrophobicContact CG1-CZ 4.37Å; D161-F163 PolarHBondContact O-N 3.26Å; F163-L166 HydrophobicContact CB-CD1 4.28Å; F163-L166 HydrophobicContact CD1-CD1 4.25Å; F163-L166 WeakPolarHBondContact O-CB 3.49Å; F163-L166 WeakPolarHBondContact O-CG 3.16Å; F163-L166 PolarHBondContact O-N 3.05Å; F163-L172 HydrophobicContact CD1-CD2 4.4Å; F163-L172 HydrophobicContact CE1-CD1 4.1Å; F163-L172 HydrophobicContact CE1-CD2 4.15Å; F163-L172 HydrophobicContact CE2-CD2 4.26Å; F163-L172 HydrophobicContact CZ-CD1 4.46Å; F163-L172 HydrophobicContact CZ-CD2 4.08Å; F163-L174 HydrophobicContact CE2-CD1 4.4Å; F163-L174 HydrophobicContact CZ-CD1 3.99Å; F163-L174 HydrophobicContact CZ-CD2 4.39Å; F163-V186 HydrophobicContact CD2-CG2 4.24Å; F163-V186 HydrophobicContact CE2-CG2 4.42Å; F163-F187 AromaticContact CD2-CD1 3.98Å; F163-F187 HydrophobicContact CD2-CD1 3.98Å; F163-F187 AromaticContact CD2-CE1 3.95Å; F163-F187 HydrophobicContact CD2-CE1 3.95Å; F163-F187 HydrophobicContact CE2-CD1 4.3Å; F163-F187 AromaticContact CE2-CE1 3.8Å; F163-F187 HydrophobicContact CE2-CE1 3.8Å; F163-L190 HydrophobicContact CB-CD1 4.21Å; F163-L190 HydrophobicContact CB-CD2 4.17Å; F163-L190 HydrophobicContact CB-CG 4.47Å
164	R	94.6	Very high	95.3	Very high	107 Å²	107	36.2 Å²	36.2	40%	0.404	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	136.2	-176.8	-164	-174.2	-172.8	138	-4.4	111.8	D161 D189	D161-R164 WeakPolarHBondContact O-CB 3.4Å; D161-R164 PolarHBondContact O-N 2.96Å; D161-R164 WeakPolarHBondContact OD1-CD 3.28Å; D161-R164 IonicContact OD1-CZ 3.13Å; D161-R164 IonicContact OD1-NE 3.89Å; D161-R164 IonicContact OD1-NH1 3.89Å; D161-R164 PolarHBondContact OD1-NH1 3.49Å; D161-R164 IonicContact OD2-NH1 2.77Å; R164-D189 WeakPolarHBondContact CA-OD2 3.29Å; R164-D189 WeakPolarHBondContact CG-OD2 3.17Å
165	G	92.5	Very high	95.3	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.031	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-4.3	-179.3	0	0	0	0	0	116.1	H167 D189	G165-H167 PolarHBondContact O-CD2 3.46Å; G165-H167 PolarHBondContact O-N 3.3Å; G165-D189 PolarHBondContact N-OD2 2.81Å
166	L	95.4	Very high	95.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.183	C	C	.	.			trans	-81.8	52.4	-178.5	-63.8	-175.8	0	0	0	113.3	F139 Y142 L145 L148 F163 N168 L169 L190	F139-L166 HydrophobicContact CB-CD1 3.81Å; F139-L166 HydrophobicContact CB-CD2 3.98Å; F139-L166 HydrophobicContact CB-CG 4.14Å; F139-L166 HydrophobicContact CG-CD1 4.33Å; F139-L166 WeakPolarHBondContact O-CD2 3.3Å; Y142-L166 VanDerWaalsContact O-CD2 3.23Å; Y142-L166 WeakPolarHBondContact O-CD2 3.08Å; L145-L166 HydrophobicContact CB-CD2 4.29Å; L145-L166 HydrophobicContact CD2-CD1 4.5Å; L145-L166 HydrophobicContact CD2-CD2 4.37Å; L148-L166 HydrophobicContact CD2-CD1 4.45Å; F163-L166 HydrophobicContact CB-CD1 4.28Å; F163-L166 HydrophobicContact CD1-CD1 4.25Å; F163-L166 WeakPolarHBondContact O-CB 3.49Å; F163-L166 WeakPolarHBondContact O-CG 3.16Å; F163-L166 PolarHBondContact O-N 3.05Å; L166-N168 PolarHBondContact O-N 3.34Å; L166-N168 VanDerWaalsContact O-N 3.08Å; L166-L169 HydrophobicContact CB-CB 4.21Å; L166-L169 HydrophobicContact CD1-CD2 4.23Å; L166-L169 WeakPolarHBondContact O-CB 3.4Å; L166-L169 PolarHBondContact O-N 2.65Å; L166-L169 VanDerWaalsContact O-N 3.13Å; L166-L190 HydrophobicContact CB-CD2 3.56Å; L166-L190 WeakPolarHBondContact O-CD2 3.2Å
167	H	94.6	Very high	95.4	Very high	79 Å²	79	35.6 Å²	35.6	37%	0.366	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.7	-173	-54.8	-57.2	0	0	0	115.4	G165 D189 K192	G165-H167 PolarHBondContact O-CD2 3.46Å; G165-H167 PolarHBondContact O-N 3.3Å; H167-D189 IonicContact CE1-OD2 3.12Å; H167-D189 PolarHBondContact ND1-O 3.38Å; H167-K192 WeakPolarHBondContact O-CG 3.37Å
168	N	95.4	Very high	95.5	Very high	58 Å²	58	36.6 Å²	36.6	31%	0.31	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	0.8	178.3	-71	-45.2	0	0	0	114.3	Q143 L145 L166 T170 K192	Q143-N168 PolarHBondContact O-ND2 2.88Å; L145-N168 CarbonylContact O-C 3.44Å; L145-N168 VanDerWaalsContact O-C 3.24Å; L166-N168 PolarHBondContact O-N 3.34Å; L166-N168 VanDerWaalsContact O-N 3.08Å; N168-T170 PolarHBondContact O-N 3.47Å; N168-K192 PolarHBondContact OD1-NZ 2.86Å
169	L	96.4	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.			trans	-68.9	122.9	-178.1	-162.3	75	0	0	0	110.2	L145 L148 L166 L172 L190 K192 L193	L145-L169 HydrophobicContact CB-CD1 4.47Å; L145-L169 HydrophobicContact CD2-CD1 4.06Å; L145-L169 HydrophobicContact CG-CD1 3.94Å; L145-L169 VanDerWaalsContact O-CA 3.3Å; L145-L169 WeakPolarHBondContact O-CA 3.4Å; L145-L169 PolarHBondContact O-N 3.46Å; L145-L169 VanDerWaalsContact O-N 3.16Å; L148-L169 HydrophobicContact CB-CD1 3.86Å; L166-L169 HydrophobicContact CB-CB 4.21Å; L166-L169 HydrophobicContact CD1-CD2 4.23Å; L166-L169 WeakPolarHBondContact O-CB 3.4Å; L166-L169 PolarHBondContact O-N 2.65Å; L166-L169 VanDerWaalsContact O-N 3.13Å; L169-L172 HydrophobicContact CD2-CB 4.03Å; L169-L172 HydrophobicContact CD2-CD1 4.4Å; L169-L172 HydrophobicContact CD2-CD2 4.38Å; L169-L190 HydrophobicContact CB-CD2 4.27Å; L169-L190 HydrophobicContact CD2-CD1 4.3Å; L169-L190 HydrophobicContact CD2-CD2 4.15Å; L169-K192 CarbonylContact O-C 3.24Å; L169-L193 HydrophobicContact CD2-CD1 4.06Å; L169-L193 HydrophobicContact CG-CD1 4.09Å; L169-L193 WeakPolarHBondContact O-CA 3.45Å; L169-L193 PolarHBondContact O-N 3.16Å
170	T	95.4	Very high	95.6	Very high	29 Å²	29	36.8 Å²	36.8	18%	0.178	17%	0.172	C	C	.	.			trans	-104.9	-27.6	177.9	60	0	0	0	0	112.7	Q146 N168 K192 E194 W195	Q146-T170 PolarHBondContact O-N 2.67Å; Q146-T170 PolarHBondContact O-OG1 2.97Å; N168-T170 PolarHBondContact O-N 3.47Å; T170-K192 WeakPolarHBondContact CA-O 3.43Å; T170-E194 PolarHBondContact O-N 3.18Å; T170-W195 PolarHBondContact O-N 2.7Å; T170-W195 VanDerWaalsContact O-N 3.14Å
171	R	95.4	Very high	95.6	Very high	63 Å²	63	37.6 Å²	37.6	24%	0.238	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	129	178.5	-52.8	-172.4	-178.9	-175.2	-2.9	112.7	Q146 K147 L148 Y173 W195	Q146-R171 PolarHBondContact O-N 3.4Å; Q146-R171 VanDerWaalsContact O-N 3.12Å; K147-R171 WeakPolarHBondContact CA-O 3.43Å; K147-R171 HydrophobicContact CG-CB 4.36Å; L148-R171 PolarHBondContact N-O 3.49Å; R171-Y173 HydrophobicContact CB-CD2 4.46Å; R171-Y173 HydrophobicContact CB-CE2 3.77Å; R171-W195 HydrophobicContact CB-CB 4.44Å; R171-W195 HydrophobicContact CG-CB 4.16Å; R171-W195 HydrophobicContact CG-CD2 4.37Å; R171-W195 HydrophobicContact CG-CE3 4.42Å; R171-W195 HydrophobicContact CG-CG 4.3Å; R171-W195 VanDerWaalsContact NH1-CZ3 3.29Å
172	L	97.1	Very high	95.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.3	178	179.2	55.3	0	0	0	110.3	L148 L150 F163 L169 L174 F187 L190 L193 W195 L196 I197	L148-L172 HydrophobicContact CB-CD1 4.04Å; L148-L172 HydrophobicContact CD2-CD1 3.93Å; L148-L172 HydrophobicContact CG-CD1 3.98Å; L150-L172 HydrophobicContact CD1-CD1 4.44Å; F163-L172 HydrophobicContact CD1-CD2 4.4Å; F163-L172 HydrophobicContact CE1-CD1 4.1Å; F163-L172 HydrophobicContact CE1-CD2 4.15Å; F163-L172 HydrophobicContact CE2-CD2 4.26Å; F163-L172 HydrophobicContact CZ-CD1 4.46Å; F163-L172 HydrophobicContact CZ-CD2 4.08Å; L169-L172 HydrophobicContact CD2-CB 4.03Å; L169-L172 HydrophobicContact CD2-CD1 4.4Å; L169-L172 HydrophobicContact CD2-CD2 4.38Å; L172-L174 HydrophobicContact CD1-CD1 4.32Å; L172-L174 HydrophobicContact CD1-CG 4.23Å; L172-L174 HydrophobicContact CD2-CD1 4.01Å; L172-L174 HydrophobicContact CG-CD1 4.02Å; L172-L174 HydrophobicContact CG-CG 4.28Å; L172-F187 HydrophobicContact CD2-CD1 4.3Å; L172-F187 HydrophobicContact CD2-CE1 3.93Å; L172-L190 HydrophobicContact CD2-CD1 4.15Å; L172-L193 HydrophobicContact CB-CD1 3.81Å; L172-L193 HydrophobicContact CB-CD2 4.41Å; L172-W195 PolarHBondContact N-O 3.28Å; L172-L196 HydrophobicContact CB-CD1 4.18Å; L172-L196 HydrophobicContact CD2-CD1 3.98Å; L172-L196 HydrophobicContact CG-CD1 4.07Å; L172-I197 PolarHBondContact O-N 2.99Å
173	Y	96.7	Very high	95.4	Very high	34 Å²	34	39.6 Å²	39.6	13%	0.133	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.8	178.5	-60.4	-100.5	0	0	0	110.5	L148 Y149 L150 Q151 R171 W195 I197	L148-Y173 PolarHBondContact O-N 3.37Å; Y149-Y173 AromaticContact CD1-CD2 3.34Å; Y149-Y173 HydrophobicContact CD1-CD2 3.34Å; Y149-Y173 AromaticContact CD1-CE2 3.78Å; Y149-Y173 HydrophobicContact CD1-CE2 3.78Å; Y149-Y173 AromaticContact CD1-CG 3.79Å; Y149-Y173 HydrophobicContact CD1-CG 3.79Å; Y149-Y173 AromaticContact CE1-CD2 3.4Å; Y149-Y173 HydrophobicContact CE1-CD2 3.4Å; Y149-Y173 VanDerWaalsContact CE1-CD2 3.4Å; Y149-Y173 AromaticContact CE1-CE2 3.29Å; Y149-Y173 HydrophobicContact CE1-CE2 3.29Å; Y149-Y173 HydrophobicContact CE1-CG 4.13Å; Y149-Y173 AromaticContact CE1-CZ 3.95Å; Y149-Y173 HydrophobicContact CG-CD2 4.25Å; L150-Y173 WeakPolarHBondContact CA-O 3.3Å; L150-Y173 WeakPolarHBondContact CB-O 3.48Å; L150-Y173 PolarHBondContact N-O 2.96Å; Q151-Y173 VanDerWaalsContact OE1-CB 3.25Å; R171-Y173 HydrophobicContact CB-CD2 4.46Å; R171-Y173 HydrophobicContact CB-CE2 3.77Å; Y173-W195 VanDerWaalsContact OH-CE3 3.3Å; Y173-W195 WeakPolarHBondContact OH-CZ3 3.38Å; Y173-I197 HydrophobicContact CD1-CB 3.94Å; Y173-I197 HydrophobicContact CD1-CG1 3.62Å; Y173-I197 HydrophobicContact CE1-CB 4.5Å; Y173-I197 HydrophobicContact CE1-CG1 3.7Å; Y173-I197 HydrophobicContact CG-CG1 4.43Å
174	L	96.3	Very high	95.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.			trans	-122.7	13.4	-179.9	-76.4	162.1	0	0	0	111.9	L134 L150 I155 F163 L172 N177 I179 I197 L198 N201	L134-L174 HydrophobicContact CD1-CD2 4.3Å; L150-L174 HydrophobicContact CB-CD2 3.81Å; L150-L174 HydrophobicContact CD1-CD2 3.76Å; L150-L174 HydrophobicContact CG-CD2 4.45Å; I155-L174 HydrophobicContact CD1-CD2 4.34Å; F163-L174 HydrophobicContact CE2-CD1 4.4Å; F163-L174 HydrophobicContact CZ-CD1 3.99Å; F163-L174 HydrophobicContact CZ-CD2 4.39Å; L172-L174 HydrophobicContact CD1-CD1 4.32Å; L172-L174 HydrophobicContact CD1-CG 4.23Å; L172-L174 HydrophobicContact CD2-CD1 4.01Å; L172-L174 HydrophobicContact CG-CD1 4.02Å; L172-L174 HydrophobicContact CG-CG 4.28Å; L174-N177 PolarHBondContact O-ND2 3.47Å; L174-I179 HydrophobicContact CB-CD1 4.29Å; L174-I179 HydrophobicContact CD2-CD1 4.3Å; L174-I197 PolarHBondContact N-O 3.47Å; L174-L198 HydrophobicContact CB-CD2 3.7Å; L174-L198 HydrophobicContact CD1-CD2 3.81Å; L174-L198 HydrophobicContact CG-CD2 4.41Å; L174-N201 PolarHBondContact O-ND2 3.35Å; L174-N201 VanDerWaalsContact O-ND2 3.07Å
175	S	95.9	Very high	95.1	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.028	20%	0.201	C	C	.	.			trans	-58.9	153.6	-176.3	-45.6	0	0	0	0	114	Q151 H152 N177 I197 E199	Q151-S175 CarbonylContact C-O 3.47Å; Q151-S175 WeakPolarHBondContact CA-O 3.38Å; Q151-S175 WeakPolarHBondContact CB-O 3.49Å; H152-S175 PolarHBondContact N-O 2.9Å; S175-N177 PolarHBondContact O-N 3.15Å; S175-N177 PolarHBondContact O-ND2 2.92Å; S175-I197 WeakPolarHBondContact OG-CG2 3.44Å; S175-E199 CarbonylContact C-O 3.39Å; S175-E199 WeakPolarHBondContact CA-O 3.43Å
176	Y	96.5	Very high	95.2	Very high	97 Å²	97	39.2 Å²	39.2	38%	0.38	20%	0.2	S	C	.	.	S	Bend	trans	54	54.4	177.5	-59.8	-93.4	0	0	0	112	H152 N153 E199 N200	H152-Y176 VanDerWaalsContact CA-O 3.25Å; H152-Y176 WeakPolarHBondContact CA-O 3.34Å; H152-Y176 AromaticContact CE1-CD1 3.75Å; H152-Y176 AromaticContact CE1-CD2 3.46Å; H152-Y176 VanDerWaalsContact CE1-CD2 3.46Å; H152-Y176 WeakPolarHBondContact CE1-CD2 3.37Å; H152-Y176 AromaticContact CE1-CG 3.33Å; H152-Y176 PolarHBondContact N-O 3.47Å; H152-Y176 VanDerWaalsContact ND1-CB 3.31Å; H152-Y176 WeakPolarHBondContact ND1-CB 3.44Å; H152-Y176 AromaticContact ND1-CG 3.52Å; H152-Y176 AromaticContact NE2-CD2 3.88Å; N153-Y176 PolarHBondContact N-O 3.28Å; Y176-E199 HydrophobicContact CE2-CG 4.32Å; Y176-E199 WeakPolarHBondContact CE2-OE1 3.33Å; Y176-E199 PolarHBondContact N-O 2.91Å; Y176-E199 PolarHBondContact OH-OE1 2.96Å; Y176-N200 VanDerWaalsContact CA-O 3.28Å; Y176-N200 WeakPolarHBondContact CA-O 3.18Å; Y176-N200 HydrophobicContact CD1-CB 3.79Å; Y176-N200 HydrophobicContact CD2-CB 4.48Å; Y176-N200 HydrophobicContact CE1-CB 3.91Å; Y176-N200 WeakPolarHBondContact CE1-ND2 3.32Å; Y176-N200 HydrophobicContact CG-CB 4.09Å; Y176-N200 PolarHBondContact N-O 3.08Å; Y176-N200 PolarHBondContact OH-ND2 3.37Å; Y176-N200 VanDerWaalsContact OH-ND2 3.14Å
177	N	97.4	Very high	95.2	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.053	20%	0.2	C	C	.	.	S	Bend	trans	-122.4	-162.5	173.1	-87.1	-77.4	0	0	0	108.9	L150 N153 I155 L174 S175 I179 N200 N201	L150-N177 PolarHBondContact O-ND2 2.95Å; N153-N177 VanDerWaalsContact CA-OD1 3.31Å; N153-N177 WeakPolarHBondContact CA-OD1 3.44Å; N153-N177 WeakPolarHBondContact CB-OD1 3.43Å; N153-N177 PolarHBondContact N-OD1 3.39Å; N153-N177 PolarHBondContact O-OD1 2.78Å; I155-N177 HydrophobicContact CB-CB 4.28Å; I155-N177 VanDerWaalsContact CB-OD1 3.26Å; I155-N177 WeakPolarHBondContact CB-OD1 3.46Å; I155-N177 WeakPolarHBondContact CG1-OD1 3.26Å; I155-N177 PolarHBondContact N-OD1 3.22Å; L174-N177 PolarHBondContact O-ND2 3.47Å; S175-N177 PolarHBondContact O-N 3.15Å; S175-N177 PolarHBondContact O-ND2 2.92Å; N177-I179 HydrophobicContact CB-CD1 4.38Å; N177-I179 HydrophobicContact CB-CG1 4.2Å; N177-N200 PolarHBondContact N-O 2.86Å; N177-N201 WeakPolarHBondContact CA-OD1 2.96Å; N177-N201 WeakPolarHBondContact CB-OD1 3.41Å
178	K	96.7	Very high	95.2	Very high	94 Å²	94	41.7 Å²	41.7	41%	0.409	21%	0.209	S	C	.	.			trans	-128.9	30.5	-178.1	-64.7	178	177.9	164.3	0	111.1	N154 I155 Q156 I180 N201	N154-K178 WeakPolarHBondContact OD1-CE 3.27Å; N154-K178 PolarHBondContact OD1-NZ 3.47Å; I155-K178 CarbonylContact O-C 3.14Å; I155-K178 WeakPolarHBondContact O-CA 3.47Å; I155-K178 PolarHBondContact O-N 3.23Å; Q156-K178 WeakPolarHBondContact CA-O 3.49Å; Q156-K178 HydrophobicContact CG-CB 3.65Å; K178-I180 WeakPolarHBondContact O-CG1 3.33Å; K178-I180 PolarHBondContact O-N 3.3Å; K178-N201 PolarHBondContact N-OD1 3.25Å
179	I	96.8	Very high	95.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.			trans	-68.4	128.1	-176.1	-58.2	169.7	0	0	0	108.6	I155 V158 L174 N177 L182 L198 N201 N202 I203	I155-I179 HydrophobicContact CB-CG1 4.5Å; I155-I179 HydrophobicContact CG2-CD1 4.5Å; I155-I179 HydrophobicContact CG2-CG1 4.16Å; I155-I179 WeakPolarHBondContact O-CG1 3.33Å; I155-I179 PolarHBondContact O-N 3.12Å; I155-I179 VanDerWaalsContact O-N 3.12Å; V158-I179 HydrophobicContact CG2-CD1 3.99Å; V158-I179 HydrophobicContact CG2-CG1 4.17Å; V158-I179 HydrophobicContact CG2-CG2 4.38Å; L174-I179 HydrophobicContact CB-CD1 4.29Å; L174-I179 HydrophobicContact CD2-CD1 4.3Å; N177-I179 HydrophobicContact CB-CD1 4.38Å; N177-I179 HydrophobicContact CB-CG1 4.2Å; I179-L182 HydrophobicContact CG2-CD2 3.9Å; I179-L182 HydrophobicContact CG2-CG 4.14Å; I179-L198 HydrophobicContact CD1-CD2 4.35Å; I179-N201 HydrophobicContact CB-CB 4.45Å; I179-N201 WeakPolarHBondContact CB-OD1 3.4Å; I179-N201 WeakPolarHBondContact CG1-OD1 3.31Å; I179-N201 PolarHBondContact N-OD1 3.06Å; I179-N202 CarbonylContact O-C 3.04Å; I179-N202 WeakPolarHBondContact O-CA 3.21Å; I179-N202 PolarHBondContact O-N 3.26Å; I179-I203 HydrophobicContact CB-CG1 4.41Å; I179-I203 HydrophobicContact CG2-CD1 4.48Å; I179-I203 HydrophobicContact CG2-CG1 4.19Å; I179-I203 PolarHBondContact O-N 2.82Å
180	I	94.5	Very high	95.2	Very high	78 Å²	78	40.5 Å²	40.5	40%	0.4	20%	0.203	S	C	.	.			trans	-103	-37.1	-176.6	-51.3	175.5	0	0	0	111.7	K178 N202 I203 H204	K178-I180 WeakPolarHBondContact O-CG1 3.33Å; K178-I180 PolarHBondContact O-N 3.3Å; I180-N202 WeakPolarHBondContact CA-O 3.37Å; I180-N202 HydrophobicContact CG1-CB 4.38Å; I180-I203 WeakPolarHBondContact O-CA 3.31Å; I180-H204 PolarHBondContact O-N 3.17Å
181	V	93.3	Very high	95.1	Very high	75 Å²	75	42.9 Å²	42.9	46%	0.455	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-141.6	136.1	-176.8	-177.7	0	0	0	0	109.8
182	L	94.4	Very high	95.2	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	22%	0.222	C	C	.	.			trans	-109.3	113.9	168.4	-70.3	174.3	0	0	0	109.4	V158 I179 V186 F187 L198 I203 T210	V158-L182 HydrophobicContact CB-CD2 4.39Å; V158-L182 HydrophobicContact CG2-CD2 4.41Å; I179-L182 HydrophobicContact CG2-CD2 3.9Å; I179-L182 HydrophobicContact CG2-CG 4.14Å; L182-V186 HydrophobicContact CB-CG1 4.32Å; L182-V186 HydrophobicContact CD2-CG1 4.42Å; L182-F187 HydrophobicContact CD1-CE2 4.09Å; L182-F187 HydrophobicContact CD1-CZ 4.06Å; L182-F187 HydrophobicContact CD2-CZ 4.32Å; L182-L198 HydrophobicContact CD1-CD1 3.67Å; L182-L198 HydrophobicContact CD1-CD2 4.08Å; L182-I203 HydrophobicContact CD1-CD1 3.83Å; L182-I203 HydrophobicContact CG-CD1 4.29Å; L182-T210 HydrophobicContact CB-CG2 3.54Å; L182-T210 WeakPolarHBondContact O-CG2 3.4Å; L182-T210 PolarHBondContact O-OG1 3.27Å
183	M	92.7	Very high	95.1	Very high	94 Å²	94	44.9 Å²	44.9	46%	0.463	22%	0.222	S	C	.	.			trans	-66.7	148	-176.7	-68.8	-69	178.7	0	0	112.1	P160 G185 V186	P160-M183 HydrophobicContact CB-CB 4.46Å; P160-M183 HydrophobicContact CG-CB 3.84Å; P160-M183 HydrophobicContact CG-CG 4.03Å; M183-G185 PolarHBondContact O-N 3.28Å; M183-V186 WeakPolarHBondContact O-CB 3.45Å; M183-V186 VanDerWaalsContact O-CG1 3.32Å; M183-V186 WeakPolarHBondContact O-CG1 3.5Å; M183-V186 PolarHBondContact O-N 3.07Å
184	P	92.8	Very high	95	Very high	80 Å²	80	47 Å²	47	52%	0.519	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	131.7	171.6	-30.1	37.5	0	0	0	112.8	V186 M209	P184-V186 VanDerWaalsContact C-N 3.33Å; P184-V186 PolarHBondContact O-N 3.09Å; P184-M209 HydrophobicContact CB-CB 4Å
185	G	90.8	Very high	94.9	Very high	22 Å²	22	48.4 Å²	48.4	23%	0.227	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	9.1	178.2	0	0	0	0	0	116.3	M183 F187 K188 M209	M183-G185 PolarHBondContact O-N 3.28Å; G185-F187 PolarHBondContact O-N 3.41Å; G185-F187 VanDerWaalsContact O-N 3.07Å; G185-K188 WeakPolarHBondContact O-CB 3.37Å; G185-K188 PolarHBondContact O-N 2.96Å; G185-M209 PolarHBondContact N-O 2.64Å
186	V	95.2	Very high	95	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.018	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.1	178.5	66.9	0	0	0	0	113.9	V158 P160 F163 L182 M183 P184 T210	V158-V186 HydrophobicContact CG1-CG2 3.71Å; P160-V186 WeakPolarHBondContact O-CA 3.5Å; F163-V186 HydrophobicContact CD2-CG2 4.24Å; F163-V186 HydrophobicContact CE2-CG2 4.42Å; L182-V186 HydrophobicContact CB-CG1 4.32Å; L182-V186 HydrophobicContact CD2-CG1 4.42Å; M183-V186 WeakPolarHBondContact O-CB 3.45Å; M183-V186 VanDerWaalsContact O-CG1 3.32Å; M183-V186 WeakPolarHBondContact O-CG1 3.5Å; M183-V186 PolarHBondContact O-N 3.07Å; P184-V186 VanDerWaalsContact C-N 3.33Å; P184-V186 PolarHBondContact O-N 3.09Å; V186-T210 HydrophobicContact CG1-CG2 4.5Å
187	F	95.9	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	12.3	177.6	-54.5	-56.2	0	0	0	114.1	F163 L172 L182 G185 D189 L190 L196 T210 F211 L214	F163-F187 AromaticContact CD2-CD1 3.98Å; F163-F187 HydrophobicContact CD2-CD1 3.98Å; F163-F187 AromaticContact CD2-CE1 3.95Å; F163-F187 HydrophobicContact CD2-CE1 3.95Å; F163-F187 HydrophobicContact CE2-CD1 4.3Å; F163-F187 AromaticContact CE2-CE1 3.8Å; F163-F187 HydrophobicContact CE2-CE1 3.8Å; L172-F187 HydrophobicContact CD2-CD1 4.3Å; L172-F187 HydrophobicContact CD2-CE1 3.93Å; L182-F187 HydrophobicContact CD1-CE2 4.09Å; L182-F187 HydrophobicContact CD1-CZ 4.06Å; L182-F187 HydrophobicContact CD2-CZ 4.32Å; G185-F187 PolarHBondContact O-N 3.41Å; G185-F187 VanDerWaalsContact O-N 3.07Å; F187-D189 VanDerWaalsContact C-N 3.28Å; F187-D189 PolarHBondContact O-N 2.85Å; F187-L190 HydrophobicContact CB-CD1 4.02Å; F187-L190 HydrophobicContact CB-CG 4.39Å; F187-L190 HydrophobicContact CD1-CD1 3.72Å; F187-L190 HydrophobicContact CG-CD1 4.3Å; F187-L190 WeakPolarHBondContact O-CB 3.3Å; F187-L190 WeakPolarHBondContact O-CG 3.45Å; F187-L190 PolarHBondContact O-N 2.73Å; F187-L196 HydrophobicContact CD2-CD2 4.09Å; F187-L196 HydrophobicContact CE1-CD1 4.31Å; F187-L196 HydrophobicContact CE1-CD2 4.48Å; F187-L196 HydrophobicContact CE2-CD2 3.71Å; F187-L196 HydrophobicContact CZ-CD1 4.17Å; F187-L196 HydrophobicContact CZ-CD2 3.93Å; F187-T210 WeakPolarHBondContact CD2-O 3.24Å; F187-F211 HydrophobicContact CD2-CD1 4.23Å; F187-F211 HydrophobicContact CE2-CD1 4.32Å; F187-F211 HydrophobicContact CE2-CE1 4.32Å; F187-L214 HydrophobicContact CB-CD1 4.06Å; F187-L214 HydrophobicContact CB-CD2 3.83Å; F187-L214 HydrophobicContact CB-CG 3.96Å; F187-L214 HydrophobicContact CD2-CD1 4.11Å; F187-L214 HydrophobicContact CG-CD1 4.32Å
188	K	94.3	Very high	94.9	Very high	130 Å²	130	43.9 Å²	43.9	57%	0.565	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-39.3	-167.1	-177.5	174.2	179.2	178.1	0	115.6	G185 H191 S212	G185-K188 WeakPolarHBondContact O-CB 3.37Å; G185-K188 PolarHBondContact O-N 2.96Å; K188-H191 PolarHBondContact O-CE1 2.9Å; K188-H191 PolarHBondContact O-ND1 3.36Å; K188-S212 VanDerWaalsContact CA-O 3.25Å; K188-S212 WeakPolarHBondContact CA-O 3.49Å
189	D	95.1	Very high	94.8	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.182	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.9	-174.7	-73.4	-1.4	0	0	0	113.6	R164 G165 H167 F187 H191	R164-D189 WeakPolarHBondContact CA-OD2 3.29Å; R164-D189 WeakPolarHBondContact CG-OD2 3.17Å; G165-D189 PolarHBondContact N-OD2 2.81Å; H167-D189 IonicContact CE1-OD2 3.12Å; H167-D189 PolarHBondContact ND1-O 3.38Å; F187-D189 VanDerWaalsContact C-N 3.28Å; F187-D189 PolarHBondContact O-N 2.85Å; D189-H191 PolarHBondContact O-N 2.91Å
190	L	96.1	Very high	94.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.			trans	-84.8	48	-169.3	-54.1	-172.2	0	0	0	113.1	F163 L166 L169 L172 F187 K192 L193 L214	F163-L190 HydrophobicContact CB-CD1 4.21Å; F163-L190 HydrophobicContact CB-CD2 4.17Å; F163-L190 HydrophobicContact CB-CG 4.47Å; L166-L190 HydrophobicContact CB-CD2 3.56Å; L166-L190 WeakPolarHBondContact O-CD2 3.2Å; L169-L190 HydrophobicContact CB-CD2 4.27Å; L169-L190 HydrophobicContact CD2-CD1 4.3Å; L169-L190 HydrophobicContact CD2-CD2 4.15Å; L172-L190 HydrophobicContact CD2-CD1 4.15Å; F187-L190 HydrophobicContact CB-CD1 4.02Å; F187-L190 HydrophobicContact CB-CG 4.39Å; F187-L190 HydrophobicContact CD1-CD1 3.72Å; F187-L190 HydrophobicContact CG-CD1 4.3Å; F187-L190 WeakPolarHBondContact O-CB 3.3Å; F187-L190 WeakPolarHBondContact O-CG 3.45Å; F187-L190 PolarHBondContact O-N 2.73Å; L190-K192 PolarHBondContact O-N 2.91Å; L190-L193 HydrophobicContact CB-CB 4.04Å; L190-L193 HydrophobicContact CB-CD2 4.45Å; L190-L193 HydrophobicContact CD1-CD2 4.04Å; L190-L193 VanDerWaalsContact O-CB 3.28Å; L190-L193 WeakPolarHBondContact O-CB 3.19Å; L190-L193 PolarHBondContact O-N 3.07Å; L190-L214 HydrophobicContact CB-CD2 3.85Å
191	H	94.6	Very high	94.9	Very high	78 Å²	78	39.8 Å²	39.8	36%	0.361	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.7	-170	-54.3	-45.6	0	0	0	115.7	K188 D189 G213 S216	K188-H191 PolarHBondContact O-CE1 2.9Å; K188-H191 PolarHBondContact O-ND1 3.36Å; D189-H191 PolarHBondContact O-N 2.91Å; H191-G213 WeakPolarHBondContact CA-O 3.42Å; H191-G213 PolarHBondContact ND1-O 3.12Å; H191-S216 VanDerWaalsContact O-CB 3.3Å; H191-S216 WeakPolarHBondContact O-CB 3.49Å; H191-S216 PolarHBondContact O-OG 2.93Å
192	K	95.6	Very high	95.1	Very high	105 Å²	105	40 Å²	40	46%	0.457	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	5.5	177.3	-65	-172.3	-170.2	168.5	0	113.7	H167 N168 L169 T170 L190 E194	H167-K192 WeakPolarHBondContact O-CG 3.37Å; N168-K192 PolarHBondContact OD1-NZ 2.86Å; L169-K192 CarbonylContact O-C 3.24Å; T170-K192 WeakPolarHBondContact CA-O 3.43Å; L190-K192 PolarHBondContact O-N 2.91Å; K192-E194 PolarHBondContact O-N 2.97Å
193	L	96.5	Very high	95.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.			trans	-66.8	122.9	-179.9	-165.5	73.5	0	0	0	109.2	L169 L172 L190 L196 L214 S216 L217	L169-L193 HydrophobicContact CD2-CD1 4.06Å; L169-L193 HydrophobicContact CG-CD1 4.09Å; L169-L193 WeakPolarHBondContact O-CA 3.45Å; L169-L193 PolarHBondContact O-N 3.16Å; L172-L193 HydrophobicContact CB-CD1 3.81Å; L172-L193 HydrophobicContact CB-CD2 4.41Å; L190-L193 HydrophobicContact CB-CB 4.04Å; L190-L193 HydrophobicContact CB-CD2 4.45Å; L190-L193 HydrophobicContact CD1-CD2 4.04Å; L190-L193 VanDerWaalsContact O-CB 3.28Å; L190-L193 WeakPolarHBondContact O-CB 3.19Å; L190-L193 PolarHBondContact O-N 3.07Å; L193-L196 HydrophobicContact CD2-CB 4.01Å; L193-L196 HydrophobicContact CD2-CD1 4.43Å; L193-L196 HydrophobicContact CD2-CD2 4.5Å; L193-L214 HydrophobicContact CB-CD2 3.93Å; L193-L214 HydrophobicContact CD2-CD2 3.7Å; L193-L214 HydrophobicContact CG-CD2 4.44Å; L193-S216 CarbonylContact O-C 3.19Å; L193-L217 HydrophobicContact CB-CD1 4.28Å; L193-L217 HydrophobicContact CD2-CD1 3.9Å; L193-L217 HydrophobicContact CG-CD1 3.87Å; L193-L217 WeakPolarHBondContact O-CA 3.36Å; L193-L217 PolarHBondContact O-N 3.46Å
194	E	94.5	Very high	95.2	Very high	79 Å²	79	40 Å²	40	37%	0.369	20%	0.2	S	C	.	.			trans	-98.5	-41.9	177.6	-64.6	171.7	171.8	0	0	110.2	T170 K192 L217 V218 L219	T170-E194 PolarHBondContact O-N 3.18Å; K192-E194 PolarHBondContact O-N 2.97Å; E194-L217 WeakPolarHBondContact O-CD1 3.44Å; E194-V218 HydrophobicContact CB-CG2 4.48Å; E194-V218 PolarHBondContact O-N 2.87Å; E194-L219 PolarHBondContact O-N 3.43Å
195	W	94.5	Very high	95.1	Very high	29 Å²	29	43 Å²	43	11%	0.11	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.7	-174.4	-61.1	4.5	0	0	0	111.4	F70 F74 T170 R171 L172 Y173 L219	F70-W195 HydrophobicContact CZ-CH2 4.03Å; F70-W195 HydrophobicContact CZ-CZ2 4.28Å; F74-W195 HydrophobicContact CD1-CZ2 4.26Å; F74-W195 AromaticContact CD1-NE1 3.73Å; F74-W195 AromaticContact CE1-NE1 3.89Å; T170-W195 PolarHBondContact O-N 2.7Å; T170-W195 VanDerWaalsContact O-N 3.14Å; R171-W195 HydrophobicContact CB-CB 4.44Å; R171-W195 HydrophobicContact CG-CB 4.16Å; R171-W195 HydrophobicContact CG-CD2 4.37Å; R171-W195 HydrophobicContact CG-CE3 4.42Å; R171-W195 HydrophobicContact CG-CG 4.3Å; R171-W195 VanDerWaalsContact NH1-CZ3 3.29Å; L172-W195 PolarHBondContact N-O 3.28Å; Y173-W195 VanDerWaalsContact OH-CE3 3.3Å; Y173-W195 WeakPolarHBondContact OH-CZ3 3.38Å; W195-L219 HydrophobicContact CB-CB 4.5Å; W195-L219 HydrophobicContact CD2-CD2 4.09Å; W195-L219 HydrophobicContact CE3-CD2 4.47Å; W195-L219 HydrophobicContact CG-CB 4.2Å; W195-L219 HydrophobicContact CG-CD2 4.1Å
196	L	96.9	Very high	95.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	111.5	173.8	177.6	55.5	0	0	0	109.7	L172 F187 L193 L198 F211 L214 L217 L219 L220 V221	L172-L196 HydrophobicContact CB-CD1 4.18Å; L172-L196 HydrophobicContact CD2-CD1 3.98Å; L172-L196 HydrophobicContact CG-CD1 4.07Å; F187-L196 HydrophobicContact CD2-CD2 4.09Å; F187-L196 HydrophobicContact CE1-CD1 4.31Å; F187-L196 HydrophobicContact CE1-CD2 4.48Å; F187-L196 HydrophobicContact CE2-CD2 3.71Å; F187-L196 HydrophobicContact CZ-CD1 4.17Å; F187-L196 HydrophobicContact CZ-CD2 3.93Å; L193-L196 HydrophobicContact CD2-CB 4.01Å; L193-L196 HydrophobicContact CD2-CD1 4.43Å; L193-L196 HydrophobicContact CD2-CD2 4.5Å; L196-L198 HydrophobicContact CD1-CD1 4.11Å; L196-L198 HydrophobicContact CD1-CG 4.14Å; L196-L198 HydrophobicContact CD2-CD1 4.02Å; L196-L198 HydrophobicContact CG-CD1 3.9Å; L196-L198 HydrophobicContact CG-CG 4.28Å; L196-F211 HydrophobicContact CD2-CD1 4.24Å; L196-F211 HydrophobicContact CD2-CE1 4.09Å; L196-L214 HydrophobicContact CD2-CD1 4.03Å; L196-L217 HydrophobicContact CB-CD1 3.79Å; L196-L217 HydrophobicContact CB-CD2 4.26Å; L196-L219 PolarHBondContact N-O 3.3Å; L196-L220 HydrophobicContact CB-CD1 4.13Å; L196-L220 HydrophobicContact CD2-CD1 3.94Å; L196-L220 HydrophobicContact CG-CD1 3.96Å; L196-V221 PolarHBondContact O-N 3.47Å
197	I	96.3	Very high	94.8	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.082	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116	-177.2	-41.9	-59.7	0	0	0	109.4	L172 Y173 L174 S175 E199 L219 V221	L172-I197 PolarHBondContact O-N 2.99Å; Y173-I197 HydrophobicContact CD1-CB 3.94Å; Y173-I197 HydrophobicContact CD1-CG1 3.62Å; Y173-I197 HydrophobicContact CE1-CB 4.5Å; Y173-I197 HydrophobicContact CE1-CG1 3.7Å; Y173-I197 HydrophobicContact CG-CG1 4.43Å; L174-I197 PolarHBondContact N-O 3.47Å; S175-I197 WeakPolarHBondContact OG-CG2 3.44Å; I197-E199 HydrophobicContact CG2-CB 4.23Å; I197-L219 HydrophobicContact CD1-CD2 3.93Å; I197-L219 HydrophobicContact CD1-CG 4.03Å; I197-V221 HydrophobicContact CD1-CB 4Å; I197-V221 HydrophobicContact CD1-CG2 3.67Å; I197-V221 HydrophobicContact CG2-CB 4.04Å; I197-V221 HydrophobicContact CG2-CG1 4.25Å
198	L	96.4	Very high	94.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.			trans	-124.1	18.2	-175.5	-76	161.5	0	0	0	112.4	L174 I179 L182 L196 N201 I203 V221 L222 N225	L174-L198 HydrophobicContact CB-CD2 3.7Å; L174-L198 HydrophobicContact CD1-CD2 3.81Å; L174-L198 HydrophobicContact CG-CD2 4.41Å; I179-L198 HydrophobicContact CD1-CD2 4.35Å; L182-L198 HydrophobicContact CD1-CD1 3.67Å; L182-L198 HydrophobicContact CD1-CD2 4.08Å; L196-L198 HydrophobicContact CD1-CD1 4.11Å; L196-L198 HydrophobicContact CD1-CG 4.14Å; L196-L198 HydrophobicContact CD2-CD1 4.02Å; L196-L198 HydrophobicContact CG-CD1 3.9Å; L196-L198 HydrophobicContact CG-CG 4.28Å; L198-N201 PolarHBondContact O-ND2 3.05Å; L198-N201 VanDerWaalsContact O-ND2 3.09Å; L198-I203 HydrophobicContact CB-CD1 4.28Å; L198-I203 HydrophobicContact CD1-CD1 4.47Å; L198-I203 HydrophobicContact CD2-CD1 4.2Å; L198-V221 WeakPolarHBondContact CA-O 3.47Å; L198-V221 PolarHBondContact N-O 3.28Å; L198-L222 HydrophobicContact CB-CD2 3.78Å; L198-L222 HydrophobicContact CD1-CD2 3.94Å; L198-N225 PolarHBondContact O-ND2 2.95Å
199	E	94.6	Very high	94.2	Very high	39 Å²	39	43.2 Å²	43.2	18%	0.182	21%	0.213	C	C	.	.			trans	-47.7	144.7	177.8	172.1	-165.7	168.4	0	0	113.6	S175 Y176 I197 N201 V221 L223	S175-E199 CarbonylContact C-O 3.39Å; S175-E199 WeakPolarHBondContact CA-O 3.43Å; Y176-E199 HydrophobicContact CE2-CG 4.32Å; Y176-E199 WeakPolarHBondContact CE2-OE1 3.33Å; Y176-E199 PolarHBondContact N-O 2.91Å; Y176-E199 PolarHBondContact OH-OE1 2.96Å; I197-E199 HydrophobicContact CG2-CB 4.23Å; E199-N201 PolarHBondContact O-ND2 3.49Å; E199-V221 HydrophobicContact CB-CG1 4.26Å; E199-L223 CarbonylContact C-O 3.54Å; E199-L223 VanDerWaalsContact CA-O 3.26Å; E199-L223 WeakPolarHBondContact CA-O 3.16Å; E199-L223 HydrophobicContact CB-CB 4.37Å; E199-L223 HydrophobicContact CG-CB 4.18Å; E199-L223 HydrophobicContact CG-CD2 3.83Å; E199-L223 HydrophobicContact CG-CG 3.98Å
200	N	96.4	Very high	94.1	Very high	45 Å²	45	41.7 Å²	41.7	24%	0.241	21%	0.205	C	C	.	.	S	Bend	trans	52.6	61.8	172.1	-75.7	-63.4	0	0	0	111.6	Y176 N177 L223 N224	Y176-N200 VanDerWaalsContact CA-O 3.28Å; Y176-N200 WeakPolarHBondContact CA-O 3.18Å; Y176-N200 HydrophobicContact CD1-CB 3.79Å; Y176-N200 HydrophobicContact CD2-CB 4.48Å; Y176-N200 HydrophobicContact CE1-CB 3.91Å; Y176-N200 WeakPolarHBondContact CE1-ND2 3.32Å; Y176-N200 HydrophobicContact CG-CB 4.09Å; Y176-N200 PolarHBondContact N-O 3.08Å; Y176-N200 PolarHBondContact OH-ND2 3.37Å; Y176-N200 VanDerWaalsContact OH-ND2 3.14Å; N177-N200 PolarHBondContact N-O 2.86Å; N200-L223 PolarHBondContact N-O 2.98Å; N200-N224 WeakPolarHBondContact CA-O 3.36Å; N200-N224 PolarHBondContact N-O 3.37Å; N200-N224 WeakPolarHBondContact OD1-CB 3.36Å; N200-N224 PolarHBondContact OD1-ND2 3.05Å
201	N	97.1	Very high	94	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.011	21%	0.205	C	C	.	.	S	Bend	trans	-131.4	-178.9	173	-85.5	-83.1	0	0	0	109	L174 N177 K178 I179 L198 E199 I203 N224 N225	L174-N201 PolarHBondContact O-ND2 3.35Å; L174-N201 VanDerWaalsContact O-ND2 3.07Å; N177-N201 WeakPolarHBondContact CA-OD1 2.96Å; N177-N201 WeakPolarHBondContact CB-OD1 3.41Å; K178-N201 PolarHBondContact N-OD1 3.25Å; I179-N201 HydrophobicContact CB-CB 4.45Å; I179-N201 WeakPolarHBondContact CB-OD1 3.4Å; I179-N201 WeakPolarHBondContact CG1-OD1 3.31Å; I179-N201 PolarHBondContact N-OD1 3.06Å; L198-N201 PolarHBondContact O-ND2 3.05Å; L198-N201 VanDerWaalsContact O-ND2 3.09Å; E199-N201 PolarHBondContact O-ND2 3.49Å; N201-I203 HydrophobicContact CB-CD1 4.31Å; N201-I203 HydrophobicContact CB-CG1 4.14Å; N201-N224 PolarHBondContact N-O 2.97Å; N201-N224 VanDerWaalsContact O-O 3.13Å; N201-N225 WeakPolarHBondContact CB-OD1 3.44Å; N201-N225 WeakPolarHBondContact O-CA 3.42Å; N201-N225 PolarHBondContact O-OD1 3.12Å
202	N	95.8	Very high	94	Very high	81 Å²	81	39 Å²	39	43%	0.433	20%	0.195	S	C	.	.			trans	-108.7	33.8	-179.1	-67.2	-3.8	0	0	0	111.6	I179 I180 H204	I179-N202 CarbonylContact O-C 3.04Å; I179-N202 WeakPolarHBondContact O-CA 3.21Å; I179-N202 PolarHBondContact O-N 3.26Å; I180-N202 WeakPolarHBondContact CA-O 3.37Å; I180-N202 HydrophobicContact CG1-CB 4.38Å; N202-H204 PolarHBondContact O-CD2 3.47Å; N202-H204 PolarHBondContact O-CE1 3.04Å; N202-H204 PolarHBondContact O-N 3.46Å; N202-H204 PolarHBondContact O-ND1 3.42Å; N202-H204 PolarHBondContact O-NE2 3.03Å
203	I	96.1	Very high	93.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.			trans	-72	116	-174.4	-55.7	167.7	0	0	0	108.9	I179 I180 L182 L198 N201 I206 L222 N225 S226 L227	I179-I203 HydrophobicContact CB-CG1 4.41Å; I179-I203 HydrophobicContact CG2-CD1 4.48Å; I179-I203 HydrophobicContact CG2-CG1 4.19Å; I179-I203 PolarHBondContact O-N 2.82Å; I180-I203 WeakPolarHBondContact O-CA 3.31Å; L182-I203 HydrophobicContact CD1-CD1 3.83Å; L182-I203 HydrophobicContact CG-CD1 4.29Å; L198-I203 HydrophobicContact CB-CD1 4.28Å; L198-I203 HydrophobicContact CD1-CD1 4.47Å; L198-I203 HydrophobicContact CD2-CD1 4.2Å; N201-I203 HydrophobicContact CB-CD1 4.31Å; N201-I203 HydrophobicContact CB-CG1 4.14Å; I203-I206 HydrophobicContact CG2-CG2 3.9Å; I203-L222 HydrophobicContact CD1-CD2 4.18Å; I203-N225 HydrophobicContact CB-CB 4.34Å; I203-N225 VanDerWaalsContact CB-OD1 3.24Å; I203-N225 WeakPolarHBondContact CB-OD1 3Å; I203-N225 VanDerWaalsContact CG1-OD1 3.26Å; I203-N225 WeakPolarHBondContact CG1-OD1 3.24Å; I203-N225 PolarHBondContact N-OD1 3.14Å; I203-S226 CarbonylContact O-C 3.45Å; I203-S226 VanDerWaalsContact O-C 3.32Å; I203-S226 PolarHBondContact O-N 2.91Å; I203-L227 HydrophobicContact CB-CD2 4.48Å; I203-L227 HydrophobicContact CG2-CD2 3.92Å; I203-L227 WeakPolarHBondContact O-CD2 3.39Å; I203-L227 PolarHBondContact O-N 2.96Å
204	H	93.8	Very high	93.6	Very high	97 Å²	97	34.4 Å²	34.4	45%	0.449	18%	0.178	S	C	.	.			trans	-97.2	-22.7	-177.5	-60.4	-46.7	0	0	0	113.8	I180 N202 S226	I180-H204 PolarHBondContact O-N 3.17Å; N202-H204 PolarHBondContact O-CD2 3.47Å; N202-H204 PolarHBondContact O-CE1 3.04Å; N202-H204 PolarHBondContact O-N 3.46Å; N202-H204 PolarHBondContact O-ND1 3.42Å; N202-H204 PolarHBondContact O-NE2 3.03Å; H204-S226 WeakPolarHBondContact CA-O 3.01Å; H204-S226 PolarHBondContact CE1-OG 3.11Å; H204-S226 WeakPolarHBondContact ND1-CB 3.42Å; H204-S226 PolarHBondContact ND1-OG 2.91Å; H204-S226 VanDerWaalsContact ND1-OG 3.08Å
205	Q	89.9	Confident	93.5	Very high	142 Å²	142	34.6 Å²	34.6	66%	0.664	18%	0.181	S	C	*	.	B	Isolated β-bridge	trans	-144.7	136.9	-178.7	-172.7	176.6	4.8	0	0	111.1
206	I	91.7	Very high	93.5	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.036	19%	0.185	C	C	.	.			trans	-127.5	158.2	167.1	57.7	-174.6	0	0	0	108.8	I203 F211 L222 L227 I233	I203-I206 HydrophobicContact CG2-CG2 3.9Å; I206-F211 HydrophobicContact CB-CE2 4.06Å; I206-F211 HydrophobicContact CB-CZ 4.42Å; I206-F211 HydrophobicContact CD1-CE2 4.17Å; I206-F211 HydrophobicContact CD1-CZ 4.48Å; I206-F211 HydrophobicContact CG2-CE2 4.33Å; I206-F211 HydrophobicContact CG2-CZ 4.18Å; I206-L222 HydrophobicContact CD1-CD1 3.96Å; I206-L227 HydrophobicContact CB-CD2 4.44Å; I206-L227 HydrophobicContact CD1-CD1 3.81Å; I206-L227 HydrophobicContact CD1-CD2 4.25Å; I206-L227 HydrophobicContact CG1-CD1 4.49Å; I206-L227 HydrophobicContact CG1-CD2 4.06Å; I206-L227 HydrophobicContact CG2-CD2 3.92Å; I206-I233 HydrophobicContact CD1-CD1 4.38Å; I206-I233 HydrophobicContact CD1-CG2 4.01Å; I206-I233 HydrophobicContact CG1-CG2 4.23Å
207	S	89.2	Confident	93.4	Very high	32 Å²	32	34.6 Å²	34.6	22%	0.224	19%	0.185	C	C	.	.			trans	-134.1	159.5	173.1	70.3	0	0	0	0	109.1	M209 T210	S207-M209 PolarHBondContact O-N 3.31Å; S207-T210 PolarHBondContact N-OG1 3.26Å; S207-T210 WeakPolarHBondContact O-CB 3.43Å; S207-T210 PolarHBondContact O-N 2.96Å; S207-T210 PolarHBondContact O-OG1 3.03Å; S207-T210 PolarHBondContact OG-N 3.23Å; S207-T210 PolarHBondContact OG-OG1 2.88Å
208	A	86.9	Confident	93.2	Very high	23 Å²	23	35.2 Å²	35.2	19%	0.19	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-51.8	-42.9	173.2	0	0	0	0	0	111.8	T210 F211 D232 E236	A208-T210 PolarHBondContact O-N 2.98Å; A208-F211 PolarHBondContact O-N 2.96Å; A208-F211 VanDerWaalsContact O-N 3.13Å; A208-D232 WeakPolarHBondContact CB-O 3.19Å; A208-E236 WeakPolarHBondContact O-CG 3.36Å
209	M	90.8	Very high	93.1	Very high	98 Å²	98	35.6 Å²	35.6	48%	0.483	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-66.8	-17.9	179.3	-58.1	-53	-57.3	0	0	114.2	P184 G185 S207 F211 S212	P184-M209 HydrophobicContact CB-CB 4Å; G185-M209 PolarHBondContact N-O 2.64Å; S207-M209 PolarHBondContact O-N 3.31Å; M209-F211 PolarHBondContact O-N 3.12Å; M209-S212 WeakPolarHBondContact O-CB 3.48Å; M209-S212 PolarHBondContact O-N 3.32Å
210	T	92.9	Very high	93.1	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.018	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-60.9	-35.5	172.3	-58.2	0	0	0	0	111.1	L182 V186 F187 S207 A208	L182-T210 HydrophobicContact CB-CG2 3.54Å; L182-T210 WeakPolarHBondContact O-CG2 3.4Å; L182-T210 PolarHBondContact O-OG1 3.27Å; V186-T210 HydrophobicContact CG1-CG2 4.5Å; F187-T210 WeakPolarHBondContact CD2-O 3.24Å; S207-T210 PolarHBondContact N-OG1 3.26Å; S207-T210 WeakPolarHBondContact O-CB 3.43Å; S207-T210 PolarHBondContact O-N 2.96Å; S207-T210 PolarHBondContact O-OG1 3.03Å; S207-T210 PolarHBondContact OG-N 3.23Å; S207-T210 PolarHBondContact OG-OG1 2.88Å; A208-T210 PolarHBondContact O-N 2.98Å
211	F	94.3	Very high	93.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-98.4	12.9	-178.4	-57.1	-69.9	0	0	0	113.5	F187 L196 I206 A208 M209 G213 L214 L220 L222 I233 M237	F187-F211 HydrophobicContact CD2-CD1 4.23Å; F187-F211 HydrophobicContact CE2-CD1 4.32Å; F187-F211 HydrophobicContact CE2-CE1 4.32Å; L196-F211 HydrophobicContact CD2-CD1 4.24Å; L196-F211 HydrophobicContact CD2-CE1 4.09Å; I206-F211 HydrophobicContact CB-CE2 4.06Å; I206-F211 HydrophobicContact CB-CZ 4.42Å; I206-F211 HydrophobicContact CD1-CE2 4.17Å; I206-F211 HydrophobicContact CD1-CZ 4.48Å; I206-F211 HydrophobicContact CG2-CE2 4.33Å; I206-F211 HydrophobicContact CG2-CZ 4.18Å; A208-F211 PolarHBondContact O-N 2.96Å; A208-F211 VanDerWaalsContact O-N 3.13Å; M209-F211 PolarHBondContact O-N 3.12Å; F211-G213 PolarHBondContact O-N 3.37Å; F211-L214 HydrophobicContact CB-CD1 4.03Å; F211-L214 HydrophobicContact CD1-CD1 3.87Å; F211-L214 HydrophobicContact CG-CD1 4.44Å; F211-L214 VanDerWaalsContact O-CB 3.3Å; F211-L214 WeakPolarHBondContact O-CB 3.45Å; F211-L214 WeakPolarHBondContact O-CG 3.39Å; F211-L214 PolarHBondContact O-N 2.95Å; F211-L220 HydrophobicContact CD1-CD2 4.46Å; F211-L220 HydrophobicContact CE1-CD1 4.04Å; F211-L220 HydrophobicContact CE1-CD2 3.95Å; F211-L220 HydrophobicContact CE2-CD2 4.37Å; F211-L220 HydrophobicContact CZ-CD2 3.91Å; F211-L222 HydrophobicContact CZ-CD1 4.3Å; F211-I233 HydrophobicContact CD2-CB 4.03Å; F211-I233 HydrophobicContact CD2-CG2 4.1Å; F211-I233 HydrophobicContact CE2-CB 4.18Å; F211-I233 HydrophobicContact CE2-CG2 3.92Å; F211-M237 HydrophobicContact CB-CE 3.79Å; F211-M237 HydrophobicContact CB-CG 3.96Å; F211-M237 HydrophobicContact CB-SD 3.66Å; F211-M237 HydrophobicContact CD1-CE 4.28Å; F211-M237 HydrophobicContact CD1-SD 4.04Å; F211-M237 HydrophobicContact CD2-CE 3.73Å; F211-M237 HydrophobicContact CD2-SD 4.48Å; F211-M237 HydrophobicContact CE2-CE 4.4Å; F211-M237 HydrophobicContact CG-CE 3.66Å; F211-M237 HydrophobicContact CG-SD 3.81Å
212	S	93.3	Very high	93	Very high	22 Å²	22	32 Å²	32	15%	0.154	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	135.3	179.8	-168.3	0	0	0	0	111.8	K188 M209 E236	K188-S212 VanDerWaalsContact CA-O 3.25Å; K188-S212 WeakPolarHBondContact CA-O 3.49Å; M209-S212 WeakPolarHBondContact O-CB 3.48Å; M209-S212 PolarHBondContact O-N 3.32Å; S212-E236 VanDerWaalsContact CA-OE2 3.23Å; S212-E236 WeakPolarHBondContact CA-OE2 3.42Å; S212-E236 WeakPolarHBondContact CB-OE2 3.3Å; S212-E236 PolarHBondContact OG-OE2 2.91Å
213	G	88.3	Confident	93	Very high	8 Å²	8	29.4 Å²	29.4	8%	0.082	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	-6.5	-179.7	0	0	0	0	0	116.4	H191 F211 N215	H191-G213 WeakPolarHBondContact CA-O 3.42Å; H191-G213 PolarHBondContact ND1-O 3.12Å; F211-G213 PolarHBondContact O-N 3.37Å; G213-N215 PolarHBondContact O-N 3.49Å
214	L	95.2	Very high	93	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.			trans	-80.1	49.9	-177.9	-68.6	-172.9	0	0	0	113.9	F187 L190 L193 L196 F211 S216 L217 M237	F187-L214 HydrophobicContact CB-CD1 4.06Å; F187-L214 HydrophobicContact CB-CD2 3.83Å; F187-L214 HydrophobicContact CB-CG 3.96Å; F187-L214 HydrophobicContact CD2-CD1 4.11Å; F187-L214 HydrophobicContact CG-CD1 4.32Å; L190-L214 HydrophobicContact CB-CD2 3.85Å; L193-L214 HydrophobicContact CB-CD2 3.93Å; L193-L214 HydrophobicContact CD2-CD2 3.7Å; L193-L214 HydrophobicContact CG-CD2 4.44Å; L196-L214 HydrophobicContact CD2-CD1 4.03Å; F211-L214 HydrophobicContact CB-CD1 4.03Å; F211-L214 HydrophobicContact CD1-CD1 3.87Å; F211-L214 HydrophobicContact CG-CD1 4.44Å; F211-L214 VanDerWaalsContact O-CB 3.3Å; F211-L214 WeakPolarHBondContact O-CB 3.45Å; F211-L214 WeakPolarHBondContact O-CG 3.39Å; F211-L214 PolarHBondContact O-N 2.95Å; L214-S216 PolarHBondContact O-N 2.73Å; L214-L217 HydrophobicContact CB-CB 4.16Å; L214-L217 HydrophobicContact CD1-CD2 4.17Å; L214-L217 PolarHBondContact O-N 2.97Å; L214-L217 VanDerWaalsContact O-N 3.12Å; L214-M237 HydrophobicContact CB-CG 3.89Å; L214-M237 HydrophobicContact CD1-SD 4.27Å
215	N	92.7	Very high	93.1	Very high	82 Å²	82	28.2 Å²	28.2	44%	0.439	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.9	-172.2	-61.3	-15.2	0	0	0	115.2	G213 R239	G213-N215 PolarHBondContact O-N 3.49Å; N215-R239 WeakPolarHBondContact O-CD 3.32Å
216	S	94.6	Very high	93.4	Very high	29 Å²	29	22.7 Å²	22.7	20%	0.203	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	2.9	-178.8	-55.7	0	0	0	0	113.9	H191 L193 L214 V218	H191-S216 VanDerWaalsContact O-CB 3.3Å; H191-S216 WeakPolarHBondContact O-CB 3.49Å; H191-S216 PolarHBondContact O-OG 2.93Å; L193-S216 CarbonylContact O-C 3.19Å; L214-S216 PolarHBondContact O-N 2.73Å; S216-V218 VanDerWaalsContact O-CG2 3.32Å; S216-V218 WeakPolarHBondContact O-CG2 3.19Å; S216-V218 PolarHBondContact O-N 3.26Å
217	L	95.2	Very high	93.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.133	C	C	.	.			trans	-68.9	129.6	-173.1	-159.4	81.3	0	0	0	110.7	L193 E194 L196 L214 L220 M237 R239 L240	L193-L217 HydrophobicContact CB-CD1 4.28Å; L193-L217 HydrophobicContact CD2-CD1 3.9Å; L193-L217 HydrophobicContact CG-CD1 3.87Å; L193-L217 WeakPolarHBondContact O-CA 3.36Å; L193-L217 PolarHBondContact O-N 3.46Å; E194-L217 WeakPolarHBondContact O-CD1 3.44Å; L196-L217 HydrophobicContact CB-CD1 3.79Å; L196-L217 HydrophobicContact CB-CD2 4.26Å; L214-L217 HydrophobicContact CB-CB 4.16Å; L214-L217 HydrophobicContact CD1-CD2 4.17Å; L214-L217 PolarHBondContact O-N 2.97Å; L214-L217 VanDerWaalsContact O-N 3.12Å; L217-L220 HydrophobicContact CD2-CB 3.94Å; L217-L220 HydrophobicContact CD2-CD1 4.5Å; L217-M237 HydrophobicContact CB-CG 4.5Å; L217-M237 HydrophobicContact CB-SD 4.48Å; L217-M237 HydrophobicContact CD2-CG 4.44Å; L217-M237 HydrophobicContact CD2-SD 3.41Å; L217-M237 WeakPolarHBondContact CD2-SD 3.36Å; L217-R239 CarbonylContact O-C 3.52Å; L217-R239 VanDerWaalsContact O-O 3.12Å; L217-L240 HydrophobicContact CD2-CD1 4.17Å; L217-L240 WeakPolarHBondContact O-CA 3.43Å; L217-L240 PolarHBondContact O-N 3.12Å; L217-L240 VanDerWaalsContact O-N 3.15Å
218	V	92.6	Very high	93.8	Very high	30 Å²	30	23.3 Å²	23.3	18%	0.182	14%	0.142	C	C	.	.			trans	-113.8	-32.2	-178.5	-164.3	0	0	0	0	110.9	F74 E194 S216 N241 W242	F74-V218 HydrophobicContact CE1-CB 4Å; F74-V218 HydrophobicContact CE1-CG1 3.51Å; F74-V218 HydrophobicContact CZ-CB 4.42Å; F74-V218 HydrophobicContact CZ-CG1 3.57Å; E194-V218 HydrophobicContact CB-CG2 4.48Å; E194-V218 PolarHBondContact O-N 2.87Å; S216-V218 VanDerWaalsContact O-CG2 3.32Å; S216-V218 WeakPolarHBondContact O-CG2 3.19Å; S216-V218 PolarHBondContact O-N 3.26Å; V218-N241 HydrophobicContact CG1-CB 3.82Å; V218-N241 PolarHBondContact O-N 2.77Å; V218-W242 PolarHBondContact O-N 3.02Å
219	L	92.9	Very high	94.1	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.5	-178	171.9	53.2	0	0	0	111.3	E194 W195 L196 I197 V221 W242	E194-L219 PolarHBondContact O-N 3.43Å; W195-L219 HydrophobicContact CB-CB 4.5Å; W195-L219 HydrophobicContact CD2-CD2 4.09Å; W195-L219 HydrophobicContact CE3-CD2 4.47Å; W195-L219 HydrophobicContact CG-CB 4.2Å; W195-L219 HydrophobicContact CG-CD2 4.1Å; L196-L219 PolarHBondContact N-O 3.3Å; I197-L219 HydrophobicContact CD1-CD2 3.93Å; I197-L219 HydrophobicContact CD1-CG 4.03Å; L219-V221 HydrophobicContact CD1-CG2 3.54Å; L219-V221 HydrophobicContact CG-CG2 4.12Å; L219-W242 HydrophobicContact CD1-CB 4Å; L219-W242 HydrophobicContact CD1-CD2 3.6Å; L219-W242 HydrophobicContact CD1-CE3 3.21Å; L219-W242 HydrophobicContact CD1-CG 3.92Å; L219-W242 HydrophobicContact CD1-CZ3 3.95Å; L219-W242 HydrophobicContact CD2-CE3 4.19Å; L219-W242 HydrophobicContact CD2-CZ3 4.41Å; L219-W242 HydrophobicContact CG-CE3 4.29Å
220	L	95.9	Very high	94.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.1	169	179.4	56.3	0	0	0	110.4	L196 F211 L217 L222 I233 M237 L240 W242 L243 D244	L196-L220 HydrophobicContact CB-CD1 4.13Å; L196-L220 HydrophobicContact CD2-CD1 3.94Å; L196-L220 HydrophobicContact CG-CD1 3.96Å; F211-L220 HydrophobicContact CD1-CD2 4.46Å; F211-L220 HydrophobicContact CE1-CD1 4.04Å; F211-L220 HydrophobicContact CE1-CD2 3.95Å; F211-L220 HydrophobicContact CE2-CD2 4.37Å; F211-L220 HydrophobicContact CZ-CD2 3.91Å; L217-L220 HydrophobicContact CD2-CB 3.94Å; L217-L220 HydrophobicContact CD2-CD1 4.5Å; L220-L222 HydrophobicContact CD1-CD1 4.2Å; L220-L222 HydrophobicContact CD1-CG 4.19Å; L220-L222 HydrophobicContact CD2-CD1 3.94Å; L220-L222 HydrophobicContact CG-CD1 3.97Å; L220-L222 HydrophobicContact CG-CG 4.28Å; L220-I233 HydrophobicContact CD2-CD1 4.04Å; L220-M237 HydrophobicContact CD2-CE 3.82Å; L220-M237 HydrophobicContact CD2-SD 4.14Å; L220-L240 HydrophobicContact CB-CD1 3.78Å; L220-W242 PolarHBondContact N-O 3.45Å; L220-L243 HydrophobicContact CB-CD1 4.26Å; L220-L243 HydrophobicContact CD2-CD1 3.99Å; L220-L243 HydrophobicContact CG-CD1 4.13Å; L220-D244 PolarHBondContact O-N 3.04Å
221	V	95.9	Very high	93.9	Very high	11 Å²	11	29.5 Å²	29.5	7%	0.067	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.2	176.3	179	0	0	0	0	110.2	L196 I197 L198 E199 L219 L223 D244	L196-V221 PolarHBondContact O-N 3.47Å; I197-V221 HydrophobicContact CD1-CB 4Å; I197-V221 HydrophobicContact CD1-CG2 3.67Å; I197-V221 HydrophobicContact CG2-CB 4.04Å; I197-V221 HydrophobicContact CG2-CG1 4.25Å; L198-V221 WeakPolarHBondContact CA-O 3.47Å; L198-V221 PolarHBondContact N-O 3.28Å; E199-V221 HydrophobicContact CB-CG1 4.26Å; L219-V221 HydrophobicContact CD1-CG2 3.54Å; L219-V221 HydrophobicContact CG-CG2 4.12Å; V221-L223 HydrophobicContact CG1-CB 3.87Å; V221-D244 HydrophobicContact CG1-CB 4.34Å; V221-D244 HydrophobicContact CG2-CB 4.33Å
222	L	96	Very high	93.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.175	C	C	.	.			trans	-124	18.3	178.5	-75.7	161.4	0	0	0	112.1	L198 I203 I206 F211 L220 N225 L227 D244 L245 N248	L198-L222 HydrophobicContact CB-CD2 3.78Å; L198-L222 HydrophobicContact CD1-CD2 3.94Å; I203-L222 HydrophobicContact CD1-CD2 4.18Å; I206-L222 HydrophobicContact CD1-CD1 3.96Å; F211-L222 HydrophobicContact CZ-CD1 4.3Å; L220-L222 HydrophobicContact CD1-CD1 4.2Å; L220-L222 HydrophobicContact CD1-CG 4.19Å; L220-L222 HydrophobicContact CD2-CD1 3.94Å; L220-L222 HydrophobicContact CG-CD1 3.97Å; L220-L222 HydrophobicContact CG-CG 4.28Å; L222-N225 PolarHBondContact O-ND2 3.06Å; L222-L227 HydrophobicContact CB-CD1 4.36Å; L222-L227 HydrophobicContact CD1-CD1 4.27Å; L222-D244 WeakPolarHBondContact CA-O 3.42Å; L222-D244 PolarHBondContact N-O 3.34Å; L222-L245 HydrophobicContact CB-CD2 3.88Å; L222-L245 HydrophobicContact CD1-CD2 3.96Å; L222-N248 PolarHBondContact O-ND2 3.35Å
223	L	94.6	Very high	93.6	Very high	26 Å²	26	30.1 Å²	30.1	14%	0.136	17%	0.168	C	C	.	.			trans	-39.9	135.6	171.1	167.2	61.9	0	0	0	112.7	E199 N200 V221 N225 E246	E199-L223 CarbonylContact C-O 3.54Å; E199-L223 VanDerWaalsContact CA-O 3.26Å; E199-L223 WeakPolarHBondContact CA-O 3.16Å; E199-L223 HydrophobicContact CB-CB 4.37Å; E199-L223 HydrophobicContact CG-CB 4.18Å; E199-L223 HydrophobicContact CG-CD2 3.83Å; E199-L223 HydrophobicContact CG-CG 3.98Å; N200-L223 PolarHBondContact N-O 2.98Å; V221-L223 HydrophobicContact CG1-CB 3.87Å; L223-N225 PolarHBondContact O-N 3.14Å; L223-N225 PolarHBondContact O-ND2 3.32Å; L223-E246 CarbonylContact C-O 3.55Å; L223-E246 WeakPolarHBondContact CA-O 3.33Å; L223-E246 HydrophobicContact CD1-CB 3.53Å; L223-E246 VanDerWaalsContact CD1-CD 3.46Å; L223-E246 HydrophobicContact CD1-CG 3.36Å
224	N	96.2	Very high	93.7	Very high	62 Å²	62	29.8 Å²	29.8	33%	0.332	16%	0.164	S	C	.	.	S	Bend	trans	49.7	57	177.3	-67.5	-13.1	0	0	0	112.7	N200 N201 E246	N200-N224 WeakPolarHBondContact CA-O 3.36Å; N200-N224 PolarHBondContact N-O 3.37Å; N200-N224 WeakPolarHBondContact OD1-CB 3.36Å; N200-N224 PolarHBondContact OD1-ND2 3.05Å; N201-N224 PolarHBondContact N-O 2.97Å; N201-N224 VanDerWaalsContact O-O 3.13Å; N224-E246 PolarHBondContact N-O 3.4Å
225	N	96.7	Very high	93.5	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.048	20%	0.196	C	C	.	.			trans	-110.7	-160.9	164	-82.1	-89.7	0	0	0	108.7	L198 N201 I203 L222 L223 L227 N248	L198-N225 PolarHBondContact O-ND2 2.95Å; N201-N225 WeakPolarHBondContact CB-OD1 3.44Å; N201-N225 WeakPolarHBondContact O-CA 3.42Å; N201-N225 PolarHBondContact O-OD1 3.12Å; I203-N225 HydrophobicContact CB-CB 4.34Å; I203-N225 VanDerWaalsContact CB-OD1 3.24Å; I203-N225 WeakPolarHBondContact CB-OD1 3Å; I203-N225 VanDerWaalsContact CG1-OD1 3.26Å; I203-N225 WeakPolarHBondContact CG1-OD1 3.24Å; I203-N225 PolarHBondContact N-OD1 3.14Å; L222-N225 PolarHBondContact O-ND2 3.06Å; L223-N225 PolarHBondContact O-N 3.14Å; L223-N225 PolarHBondContact O-ND2 3.32Å; N225-L227 HydrophobicContact CB-CG 4.42Å; N225-N248 WeakPolarHBondContact CA-OD1 3.42Å; N225-N248 WeakPolarHBondContact CB-OD1 3.46Å; N225-N248 PolarHBondContact O-OD1 2.74Å
226	S	96.5	Very high	93.4	Very high	27 Å²	27	36.4 Å²	36.4	19%	0.189	19%	0.185	C	C	.	.			trans	-136.4	44.9	175.8	13.4	0	0	0	0	112	I203 H204 A228 N248	I203-S226 CarbonylContact O-C 3.45Å; I203-S226 VanDerWaalsContact O-C 3.32Å; I203-S226 PolarHBondContact O-N 2.91Å; H204-S226 WeakPolarHBondContact CA-O 3.01Å; H204-S226 PolarHBondContact CE1-OG 3.11Å; H204-S226 WeakPolarHBondContact ND1-CB 3.42Å; H204-S226 PolarHBondContact ND1-OG 2.91Å; H204-S226 VanDerWaalsContact ND1-OG 3.08Å; S226-A228 PolarHBondContact O-N 2.89Å; S226-N248 PolarHBondContact N-OD1 2.85Å
227	L	95.9	Very high	93.4	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	18%	0.176	C	C	.	.			trans	-65	121	174	-59.1	172.2	0	0	0	110.1	I203 I206 L222 N225 L245 N248 L249 I250	I203-L227 HydrophobicContact CB-CD2 4.48Å; I203-L227 HydrophobicContact CG2-CD2 3.92Å; I203-L227 WeakPolarHBondContact O-CD2 3.39Å; I203-L227 PolarHBondContact O-N 2.96Å; I206-L227 HydrophobicContact CB-CD2 4.44Å; I206-L227 HydrophobicContact CD1-CD1 3.81Å; I206-L227 HydrophobicContact CD1-CD2 4.25Å; I206-L227 HydrophobicContact CG1-CD1 4.49Å; I206-L227 HydrophobicContact CG1-CD2 4.06Å; I206-L227 HydrophobicContact CG2-CD2 3.92Å; L222-L227 HydrophobicContact CB-CD1 4.36Å; L222-L227 HydrophobicContact CD1-CD1 4.27Å; N225-L227 HydrophobicContact CB-CG 4.42Å; L227-L245 HydrophobicContact CD1-CD2 3.66Å; L227-N248 HydrophobicContact CB-CB 4.26Å; L227-N248 WeakPolarHBondContact CB-OD1 3.48Å; L227-N248 VanDerWaalsContact CG-OD1 3.25Å; L227-N248 WeakPolarHBondContact CG-OD1 3.25Å; L227-N248 PolarHBondContact N-OD1 2.98Å; L227-L249 CarbonylContact O-C 3.1Å; L227-L249 VanDerWaalsContact O-CA 3.28Å; L227-L249 WeakPolarHBondContact O-CA 3.45Å; L227-L249 PolarHBondContact O-N 3.32Å; L227-I250 WeakPolarHBondContact O-CG1 3.49Å; L227-I250 PolarHBondContact O-N 3.45Å; L227-I250 VanDerWaalsContact O-N 3.14Å
228	A	93.6	Very high	93.2	Very high	50 Å²	50	38.7 Å²	38.7	41%	0.413	20%	0.198	S	C	.	.			trans	-92	-17.1	179.7	0	0	0	0	0	114.1	S226	S226-A228 PolarHBondContact O-N 2.89Å
229	K	91.8	Very high	93.2	Very high	166 Å²	166	44.6 Å²	44.6	72%	0.722	22%	0.218	S	C	*	.			trans	-140.7	150.8	-175.9	-65.4	-175.1	-177.9	-179.8	0	111
230	L	91.3	Very high	93.2	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	22%	0.216	C	C	.	.			trans	-118.5	108.6	175.4	-177.7	59.8	0	0	0	109.7	L245 I250 S257 L258	L230-L245 HydrophobicContact CD1-CD1 3.77Å; L230-L245 HydrophobicContact CD2-CD1 4.2Å; L230-I250 HydrophobicContact CB-CD1 4.41Å; L230-I250 HydrophobicContact CB-CG2 4.32Å; L230-S257 WeakPolarHBondContact O-CB 3.44Å; L230-S257 PolarHBondContact O-OG 3.28Å; L230-L258 HydrophobicContact CD2-CD1 4.49Å; L230-L258 HydrophobicContact CD2-CD2 4.07Å; L230-L258 HydrophobicContact CD2-CG 4.23Å
231	D	89.4	Confident	93	Very high	83 Å²	83	46 Å²	46	44%	0.444	23%	0.225	S	C	.	.			trans	-98.4	168.8	172	-65	-26.7	0	0	0	110.1	I233 S257	D231-I233 VanDerWaalsContact C-N 3.29Å; D231-I233 PolarHBondContact O-N 3.33Å; D231-S257 CarbonylContact C-O 3.51Å
232	D	90.4	Very high	92.9	Very high	35 Å²	35	47 Å²	47	19%	0.187	23%	0.228	C	C	.	.			trans	-69.5	74.7	-177.6	-169.1	18.3	0	0	0	113.6	A208 C234 A256 S260	A208-D232 WeakPolarHBondContact CB-O 3.19Å; D232-C234 VanDerWaalsContact C-N 3.28Å; D232-C234 PolarHBondContact O-N 2.83Å; D232-A256 WeakPolarHBondContact CB-O 3.25Å; D232-S260 VanDerWaalsContact OD1-CB 3.26Å; D232-S260 WeakPolarHBondContact OD1-CB 3.35Å; D232-S260 PolarHBondContact OD1-N 3.25Å; D232-S260 PolarHBondContact OD1-OG 3.09Å; D232-S260 VanDerWaalsContact OD2-CB 3.32Å; D232-S260 WeakPolarHBondContact OD2-CB 3.44Å; D232-S260 PolarHBondContact OD2-N 2.94Å; D232-S260 PolarHBondContact OD2-OG 3.39Å
233	I	89.4	Confident	92.9	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-70	-22.9	-178.6	59.4	174.2	0	0	0	113.2	I206 F211 L220 D231 R235 M237 L243	I206-I233 HydrophobicContact CD1-CD1 4.38Å; I206-I233 HydrophobicContact CD1-CG2 4.01Å; I206-I233 HydrophobicContact CG1-CG2 4.23Å; F211-I233 HydrophobicContact CD2-CB 4.03Å; F211-I233 HydrophobicContact CD2-CG2 4.1Å; F211-I233 HydrophobicContact CE2-CB 4.18Å; F211-I233 HydrophobicContact CE2-CG2 3.92Å; L220-I233 HydrophobicContact CD2-CD1 4.04Å; D231-I233 VanDerWaalsContact C-N 3.29Å; D231-I233 PolarHBondContact O-N 3.33Å; I233-R235 PolarHBondContact O-N 3.06Å; I233-M237 HydrophobicContact CB-CE 3.88Å; I233-M237 HydrophobicContact CD1-CE 4.2Å; I233-M237 HydrophobicContact CG1-CE 4.05Å; I233-M237 WeakPolarHBondContact O-CE 3.2Å; I233-L243 HydrophobicContact CD1-CD1 3.92Å; I233-L243 HydrophobicContact CD1-CD2 4.04Å
234	C	91.6	Very high	92.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-70.4	-14.6	-176.3	-63.3	0	0	0	0	113.9	D232 E236 M237 C261	D232-C234 VanDerWaalsContact C-N 3.28Å; D232-C234 PolarHBondContact O-N 2.83Å; C234-E236 PolarHBondContact O-N 3.23Å; C234-M237 CarbonylContact O-C 3.47Å; C234-M237 VanDerWaalsContact O-C 3.23Å; C234-M237 PolarHBondContact O-N 3.45Å; C234-C261 HydrophobicContact CB-CB 3.78Å; C234-C261 WeakPolarHBondContact CB-SG 3.49Å; C234-C261 WeakPolarHBondContact SG-CA 3.41Å; C234-C261 WeakPolarHBondContact SG-CB 3.39Å; C234-C261 CovalentContact SG-SG 2.03Å; C234-C261 PolarHBondContact SG-SG 3.27Å
235	R	91.1	Very high	92.9	Very high	179 Å²	179	43.5 Å²	43.5	68%	0.675	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-54	-38	178.8	179.5	175.6	176.2	158.8	3.3	113.5	I233	I233-R235 PolarHBondContact O-N 3.06Å
236	E	90.9	Very high	92.9	Very high	42 Å²	42	44.1 Å²	44.1	20%	0.196	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-97.2	1	178.2	-60.2	-69.4	120.6	0	0	112.9	A208 S212 C234	A208-E236 WeakPolarHBondContact O-CG 3.36Å; S212-E236 VanDerWaalsContact CA-OE2 3.23Å; S212-E236 WeakPolarHBondContact CA-OE2 3.42Å; S212-E236 WeakPolarHBondContact CB-OE2 3.3Å; S212-E236 PolarHBondContact OG-OE2 2.91Å; C234-E236 PolarHBondContact O-N 3.23Å
237	M	93.8	Very high	92.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	21%	0.212	C	C	.	.			trans	-132	63.6	-175.9	-62.6	-177.3	-71.1	0	0	111.1	F211 L214 L217 L220 I233 C234 R239 L240	F211-M237 HydrophobicContact CB-CE 3.79Å; F211-M237 HydrophobicContact CB-CG 3.96Å; F211-M237 HydrophobicContact CB-SD 3.66Å; F211-M237 HydrophobicContact CD1-CE 4.28Å; F211-M237 HydrophobicContact CD1-SD 4.04Å; F211-M237 HydrophobicContact CD2-CE 3.73Å; F211-M237 HydrophobicContact CD2-SD 4.48Å; F211-M237 HydrophobicContact CE2-CE 4.4Å; F211-M237 HydrophobicContact CG-CE 3.66Å; F211-M237 HydrophobicContact CG-SD 3.81Å; L214-M237 HydrophobicContact CB-CG 3.89Å; L214-M237 HydrophobicContact CD1-SD 4.27Å; L217-M237 HydrophobicContact CB-CG 4.5Å; L217-M237 HydrophobicContact CB-SD 4.48Å; L217-M237 HydrophobicContact CD2-CG 4.44Å; L217-M237 HydrophobicContact CD2-SD 3.41Å; L217-M237 WeakPolarHBondContact CD2-SD 3.36Å; L220-M237 HydrophobicContact CD2-CE 3.82Å; L220-M237 HydrophobicContact CD2-SD 4.14Å; I233-M237 HydrophobicContact CB-CE 3.88Å; I233-M237 HydrophobicContact CD1-CE 4.2Å; I233-M237 HydrophobicContact CG1-CE 4.05Å; I233-M237 WeakPolarHBondContact O-CE 3.2Å; C234-M237 CarbonylContact O-C 3.47Å; C234-M237 VanDerWaalsContact O-C 3.23Å; C234-M237 PolarHBondContact O-N 3.45Å; M237-R239 PolarHBondContact O-N 3.24Å; M237-L240 HydrophobicContact CB-CB 4.22Å; M237-L240 HydrophobicContact CE-CD2 4.26Å; M237-L240 WeakPolarHBondContact O-CB 3.32Å; M237-L240 PolarHBondContact O-N 2.99Å; M237-L240 VanDerWaalsContact O-N 3.15Å
238	P	90.9	Very high	93	Very high	74 Å²	74	43.8 Å²	43.8	48%	0.481	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.5	-170.4	29.2	-37.7	0	0	0	115.2
239	R	92	Very high	93.1	Very high	155 Å²	155	44.4 Å²	44.4	59%	0.585	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.8	9.7	178.9	-69.9	-174.5	171.3	178.2	-3	113.7	N215 L217 M237 N241	N215-R239 WeakPolarHBondContact O-CD 3.32Å; L217-R239 CarbonylContact O-C 3.52Å; L217-R239 VanDerWaalsContact O-O 3.12Å; M237-R239 PolarHBondContact O-N 3.24Å; R239-N241 PolarHBondContact O-N 3.02Å; R239-N241 PolarHBondContact O-OD1 2.94Å
240	L	93.6	Very high	93.3	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	17%	0.174	C	C	.	.			trans	-67	116.3	-177.7	-170.7	68.5	0	0	0	110.4	L217 L220 M237 W242 L243 M263 L264	L217-L240 HydrophobicContact CD2-CD1 4.17Å; L217-L240 WeakPolarHBondContact O-CA 3.43Å; L217-L240 PolarHBondContact O-N 3.12Å; L217-L240 VanDerWaalsContact O-N 3.15Å; L220-L240 HydrophobicContact CB-CD1 3.78Å; M237-L240 HydrophobicContact CB-CB 4.22Å; M237-L240 HydrophobicContact CE-CD2 4.26Å; M237-L240 WeakPolarHBondContact O-CB 3.32Å; M237-L240 PolarHBondContact O-N 2.99Å; M237-L240 VanDerWaalsContact O-N 3.15Å; L240-W242 WeakPolarHBondContact CD1-O 3.37Å; L240-L243 HydrophobicContact CD2-CB 4.19Å; L240-L243 HydrophobicContact CD2-CD1 4.49Å; L240-M263 CarbonylContact O-C 3.22Å; L240-L264 HydrophobicContact CD2-CD1 4.43Å; L240-L264 HydrophobicContact CG-CD1 4.23Å; L240-L264 PolarHBondContact O-N 3.45Å
241	N	92.1	Very high	93.5	Very high	34 Å²	34	41.3 Å²	41.3	18%	0.182	20%	0.196	C	C	.	.			trans	-104.7	-32.7	179.9	-67.4	-7.3	0	0	0	111.8	V218 R239 M263 T265 V266	V218-N241 HydrophobicContact CG1-CB 3.82Å; V218-N241 PolarHBondContact O-N 2.77Å; R239-N241 PolarHBondContact O-N 3.02Å; R239-N241 PolarHBondContact O-OD1 2.94Å; N241-M263 PolarHBondContact OD1-O 2.95Å; N241-T265 PolarHBondContact O-N 3.39Å; N241-T265 PolarHBondContact O-OG1 3.07Å; N241-V266 PolarHBondContact O-N 3.24Å
242	W	92.8	Very high	93.8	Very high	33 Å²	33	43.5 Å²	43.5	13%	0.125	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.9	175.2	-175.2	19	0	0	0	111.5	W66 V218 L219 L220 L240 V266	W66-W242 AromaticContact CD1-CH2 3.76Å; W66-W242 HydrophobicContact CD2-CD2 4.18Å; W66-W242 AromaticContact CD2-CE3 3.96Å; W66-W242 HydrophobicContact CD2-CE3 3.96Å; W66-W242 AromaticContact CD2-CH2 3.65Å; W66-W242 HydrophobicContact CD2-CH2 3.65Å; W66-W242 AromaticContact CD2-CZ2 3.85Å; W66-W242 HydrophobicContact CD2-CZ2 3.85Å; W66-W242 AromaticContact CD2-CZ3 3.74Å; W66-W242 HydrophobicContact CD2-CZ3 3.74Å; W66-W242 AromaticContact CE2-CE3 3.49Å; W66-W242 VanDerWaalsContact CE2-CE3 3.49Å; W66-W242 AromaticContact CE2-CH2 3.35Å; W66-W242 AromaticContact CE2-CZ3 3.07Å; W66-W242 AromaticContact CE3-CD2 3.85Å; W66-W242 HydrophobicContact CE3-CD2 3.85Å; W66-W242 AromaticContact CE3-CE2 3.97Å; W66-W242 AromaticContact CE3-CE3 3.96Å; W66-W242 HydrophobicContact CE3-CE3 3.96Å; W66-W242 HydrophobicContact CE3-CG 4.35Å; W66-W242 HydrophobicContact CE3-CH2 4.3Å; W66-W242 HydrophobicContact CE3-CZ2 4.18Å; W66-W242 HydrophobicContact CE3-CZ3 4.22Å; W66-W242 AromaticContact CG-CH2 3.98Å; W66-W242 HydrophobicContact CG-CH2 3.98Å; W66-W242 HydrophobicContact CG-CZ2 4.14Å; W66-W242 HydrophobicContact CG-CZ3 4.48Å; W66-W242 HydrophobicContact CH2-CB 4.23Å; W66-W242 AromaticContact CH2-CD2 3.61Å; W66-W242 HydrophobicContact CH2-CD2 3.61Å; W66-W242 AromaticContact CH2-CE3 3.09Å; W66-W242 HydrophobicContact CH2-CE3 3.09Å; W66-W242 HydrophobicContact CH2-CG 4.13Å; W66-W242 HydrophobicContact CH2-CH2 4.49Å; W66-W242 AromaticContact CH2-CZ3 3.65Å; W66-W242 HydrophobicContact CH2-CZ3 3.65Å; W66-W242 AromaticContact CZ2-CD2 3.94Å; W66-W242 HydrophobicContact CZ2-CD2 3.94Å; W66-W242 AromaticContact CZ2-CE3 3.05Å; W66-W242 HydrophobicContact CZ2-CE3 3.05Å; W66-W242 AromaticContact CZ2-CH2 3.85Å; W66-W242 HydrophobicContact CZ2-CH2 3.85Å; W66-W242 AromaticContact CZ2-CZ3 3.04Å; W66-W242 HydrophobicContact CZ2-CZ3 3.04Å; W66-W242 HydrophobicContact CZ3-CB 4.07Å; W66-W242 AromaticContact CZ3-CD2 3.55Å; W66-W242 HydrophobicContact CZ3-CD2 3.55Å; W66-W242 AromaticContact CZ3-CE3 3.55Å; W66-W242 HydrophobicContact CZ3-CE3 3.55Å; W66-W242 AromaticContact CZ3-CG 3.83Å; W66-W242 HydrophobicContact CZ3-CG 3.83Å; W66-W242 HydrophobicContact CZ3-CZ3 4.19Å; W66-W242 AromaticContact NE1-CH2 3.33Å; W66-W242 VanDerWaalsContact NE1-CH2 3.33Å; W66-W242 AromaticContact NE1-CZ3 3.38Å; V218-W242 PolarHBondContact O-N 3.02Å; L219-W242 HydrophobicContact CD1-CB 4Å; L219-W242 HydrophobicContact CD1-CD2 3.6Å; L219-W242 HydrophobicContact CD1-CE3 3.21Å; L219-W242 HydrophobicContact CD1-CG 3.92Å; L219-W242 HydrophobicContact CD1-CZ3 3.95Å; L219-W242 HydrophobicContact CD2-CE3 4.19Å; L219-W242 HydrophobicContact CD2-CZ3 4.41Å; L219-W242 HydrophobicContact CG-CE3 4.29Å; L220-W242 PolarHBondContact N-O 3.45Å; L240-W242 WeakPolarHBondContact CD1-O 3.37Å; W242-V266 HydrophobicContact CB-CB 4.3Å; W242-V266 HydrophobicContact CG-CB 4Å; W242-V266 HydrophobicContact CG-CG1 4.12Å
243	L	95.5	Very high	94	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.1	170.5	177.9	57.7	0	0	0	109.2	L220 I233 L240 L245 L258 L264 V266 L267 V268	L220-L243 HydrophobicContact CB-CD1 4.26Å; L220-L243 HydrophobicContact CD2-CD1 3.99Å; L220-L243 HydrophobicContact CG-CD1 4.13Å; I233-L243 HydrophobicContact CD1-CD1 3.92Å; I233-L243 HydrophobicContact CD1-CD2 4.04Å; L240-L243 HydrophobicContact CD2-CB 4.19Å; L240-L243 HydrophobicContact CD2-CD1 4.49Å; L243-L245 HydrophobicContact CD1-CD1 4.13Å; L243-L245 HydrophobicContact CD1-CD2 4.44Å; L243-L245 HydrophobicContact CD1-CG 3.97Å; L243-L245 HydrophobicContact CD2-CD1 3.8Å; L243-L245 HydrophobicContact CG-CD1 3.85Å; L243-L245 HydrophobicContact CG-CG 4.03Å; L243-L258 HydrophobicContact CD2-CD2 4.35Å; L243-L264 HydrophobicContact CB-CD1 3.79Å; L243-L264 HydrophobicContact CB-CD2 4.49Å; L243-V266 PolarHBondContact N-O 3.22Å; L243-V266 VanDerWaalsContact N-O 3.15Å; L243-L267 HydrophobicContact CB-CD1 4.36Å; L243-L267 HydrophobicContact CD2-CD1 4.13Å; L243-L267 HydrophobicContact CG-CD1 4.28Å; L243-V268 PolarHBondContact O-N 3.28Å; L243-V268 VanDerWaalsContact O-N 3.1Å
244	D	95.4	Very high	94.2	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.07	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.5	172.3	178	8.4	0	0	0	110.4	L220 V221 L222 E246 V268	L220-D244 PolarHBondContact O-N 3.04Å; V221-D244 HydrophobicContact CG1-CB 4.34Å; V221-D244 HydrophobicContact CG2-CB 4.33Å; L222-D244 WeakPolarHBondContact CA-O 3.42Å; L222-D244 PolarHBondContact N-O 3.34Å; D244-E246 WeakPolarHBondContact OD1-CB 3.38Å; D244-E246 PolarHBondContact OD1-N 3.21Å; D244-V268 HydrophobicContact CB-CB 4.39Å
245	L	96.5	Very high	94.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.228	C	C	.	.			trans	-126.7	21.3	-179.3	-72.1	165.9	0	0	0	111.5	L222 L227 L230 L243 N248 I250 V268 L269 N272	L222-L245 HydrophobicContact CB-CD2 3.88Å; L222-L245 HydrophobicContact CD1-CD2 3.96Å; L227-L245 HydrophobicContact CD1-CD2 3.66Å; L230-L245 HydrophobicContact CD1-CD1 3.77Å; L230-L245 HydrophobicContact CD2-CD1 4.2Å; L243-L245 HydrophobicContact CD1-CD1 4.13Å; L243-L245 HydrophobicContact CD1-CD2 4.44Å; L243-L245 HydrophobicContact CD1-CG 3.97Å; L243-L245 HydrophobicContact CD2-CD1 3.8Å; L243-L245 HydrophobicContact CG-CD1 3.85Å; L243-L245 HydrophobicContact CG-CG 4.03Å; L245-N248 PolarHBondContact O-ND2 3.02Å; L245-N248 VanDerWaalsContact O-ND2 3.1Å; L245-I250 HydrophobicContact CB-CD1 4.26Å; L245-I250 HydrophobicContact CD1-CD1 4.18Å; L245-V268 PolarHBondContact N-O 3.49Å; L245-L269 HydrophobicContact CB-CD2 3.9Å; L245-L269 HydrophobicContact CD1-CD2 3.91Å; L245-N272 PolarHBondContact O-ND2 3.4Å
246	E	96.4	Very high	94	Very high	22 Å²	22	41.7 Å²	41.7	10%	0.103	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	147	177.5	167.6	175.2	-179.4	0	0	112.4	L223 N224 D244 N248 V268 Q270 R271	L223-E246 CarbonylContact C-O 3.55Å; L223-E246 WeakPolarHBondContact CA-O 3.33Å; L223-E246 HydrophobicContact CD1-CB 3.53Å; L223-E246 VanDerWaalsContact CD1-CD 3.46Å; L223-E246 HydrophobicContact CD1-CG 3.36Å; N224-E246 PolarHBondContact N-O 3.4Å; D244-E246 WeakPolarHBondContact OD1-CB 3.38Å; D244-E246 PolarHBondContact OD1-N 3.21Å; E246-N248 VanDerWaalsContact C-N 3.25Å; E246-N248 PolarHBondContact O-N 2.95Å; E246-N248 PolarHBondContact O-ND2 3.47Å; E246-V268 HydrophobicContact CB-CG1 4.12Å; E246-Q270 VanDerWaalsContact CA-O 3.3Å; E246-Q270 WeakPolarHBondContact CA-O 3.33Å; E246-Q270 HydrophobicContact CB-CG 3.85Å; E246-Q270 VanDerWaalsContact CD-NE2 3.27Å; E246-Q270 HydrophobicContact CG-CG 3.58Å; E246-Q270 PolarHBondContact OE2-NE2 3.2Å; E246-R271 WeakPolarHBondContact OE1-CD 3.48Å; E246-R271 IonicContact OE1-CZ 3.77Å; E246-R271 IonicContact OE1-NE 3.64Å; E246-R271 IonicContact OE1-NH1 3.4Å; E246-R271 PolarHBondContact OE1-NH1 2.97Å
247	G	96.3	Very high	93.9	Very high	19 Å²	19	40.5 Å²	40.5	20%	0.196	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	23.2	165	0	0	0	0	0	114	Q270 R271	G247-Q270 PolarHBondContact N-O 2.87Å; G247-R271 WeakPolarHBondContact CA-O 3.39Å
248	N	97.5	Very high	93.9	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	22%	0.215	C	C	.	.			trans	-97	-169.6	176.6	-82.8	-85.8	0	0	0	111.3	L222 N225 S226 L227 L245 E246 I250 N272	L222-N248 PolarHBondContact O-ND2 3.35Å; N225-N248 WeakPolarHBondContact CA-OD1 3.42Å; N225-N248 WeakPolarHBondContact CB-OD1 3.46Å; N225-N248 PolarHBondContact O-OD1 2.74Å; S226-N248 PolarHBondContact N-OD1 2.85Å; L227-N248 HydrophobicContact CB-CB 4.26Å; L227-N248 WeakPolarHBondContact CB-OD1 3.48Å; L227-N248 VanDerWaalsContact CG-OD1 3.25Å; L227-N248 WeakPolarHBondContact CG-OD1 3.25Å; L227-N248 PolarHBondContact N-OD1 2.98Å; L245-N248 PolarHBondContact O-ND2 3.02Å; L245-N248 VanDerWaalsContact O-ND2 3.1Å; E246-N248 VanDerWaalsContact C-N 3.25Å; E246-N248 PolarHBondContact O-N 2.95Å; E246-N248 PolarHBondContact O-ND2 3.47Å; N248-I250 HydrophobicContact CB-CD1 4.47Å; N248-I250 HydrophobicContact CB-CG1 4.32Å; N248-N272 WeakPolarHBondContact CA-OD1 3.37Å; N248-N272 WeakPolarHBondContact CB-OD1 3.21Å; N248-N272 PolarHBondContact O-OD1 3.08Å
249	L	97	Very high	93.8	Very high	62 Å²	62	42.3 Å²	42.3	33%	0.325	22%	0.218	S	C	.	.			trans	-114.6	23.1	-175.6	-59.2	177.7	0	0	0	112.5	L227 E251 N272	L227-L249 CarbonylContact O-C 3.1Å; L227-L249 VanDerWaalsContact O-CA 3.28Å; L227-L249 WeakPolarHBondContact O-CA 3.45Å; L227-L249 PolarHBondContact O-N 3.32Å; L249-E251 PolarHBondContact O-N 3.09Å; L249-N272 PolarHBondContact N-OD1 3.43Å
250	I	96.6	Very high	93.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.202	C	C	.	.			trans	-66.9	124.3	-173.5	-57.9	168.9	0	0	0	109.6	L227 L230 L245 N248 L269 N272 R273 I274	L227-I250 WeakPolarHBondContact O-CG1 3.49Å; L227-I250 PolarHBondContact O-N 3.45Å; L227-I250 VanDerWaalsContact O-N 3.14Å; L230-I250 HydrophobicContact CB-CD1 4.41Å; L230-I250 HydrophobicContact CB-CG2 4.32Å; L245-I250 HydrophobicContact CB-CD1 4.26Å; L245-I250 HydrophobicContact CD1-CD1 4.18Å; N248-I250 HydrophobicContact CB-CD1 4.47Å; N248-I250 HydrophobicContact CB-CG1 4.32Å; I250-L269 HydrophobicContact CD1-CD2 4.06Å; I250-N272 HydrophobicContact CB-CB 4.44Å; I250-N272 WeakPolarHBondContact CB-OD1 3.27Å; I250-N272 WeakPolarHBondContact CG1-OD1 3.5Å; I250-N272 PolarHBondContact N-OD1 2.86Å; I250-N272 VanDerWaalsContact N-OD1 3.08Å; I250-R273 CarbonylContact O-C 3.51Å; I250-R273 WeakPolarHBondContact O-CA 3.45Å; I250-R273 PolarHBondContact O-N 2.93Å; I250-I274 HydrophobicContact CB-CG1 4.43Å; I250-I274 HydrophobicContact CG2-CG1 4.25Å; I250-I274 WeakPolarHBondContact O-CG1 3.45Å; I250-I274 PolarHBondContact O-N 3.4Å
251	E	95.3	Very high	93.7	Very high	106 Å²	106	36.6 Å²	36.6	50%	0.495	20%	0.202	S	C	.	.			trans	-97.8	-28.1	-176.3	-63.3	-171.8	165.9	0	0	114.6	L249 R273 I274 S275	L249-E251 PolarHBondContact O-N 3.09Å; E251-R273 HydrophobicContact CG-CB 4.42Å; E251-I274 WeakPolarHBondContact O-CA 3.4Å; E251-S275 PolarHBondContact O-N 2.91Å; E251-S275 PolarHBondContact O-OG 3.2Å; E251-S275 VanDerWaalsContact O-OG 3.1Å
252	K	94.9	Very high	93.7	Very high	129 Å²	129	38.2 Å²	38.2	56%	0.561	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.2	145.8	-171.6	-58.7	-174.1	-178.4	179.8	0	111.7	Y276	K252-Y276 WeakPolarHBondContact CA-O 3.43Å
253	I	95.7	Very high	93.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.5	171.2	-53.5	179.8	0	0	0	108.8	L258 L269 I274 Y276 I277 H278 A281 F282	I253-L258 HydrophobicContact CG2-CD1 4.41Å; I253-L269 HydrophobicContact CD1-CD1 3.69Å; I253-I274 HydrophobicContact CD1-CD1 4Å; I253-I274 HydrophobicContact CD1-CG2 4.44Å; I253-I274 HydrophobicContact CG1-CD1 4.47Å; I253-I274 HydrophobicContact CG1-CG2 4.27Å; I253-Y276 PolarHBondContact N-O 3.39Å; I253-I277 HydrophobicContact CB-CG1 4.41Å; I253-I277 HydrophobicContact CB-CG2 4.32Å; I253-I277 HydrophobicContact CD1-CD1 4.42Å; I253-I277 HydrophobicContact CD1-CG1 4.26Å; I253-I277 HydrophobicContact CG1-CG1 4.47Å; I253-H278 PolarHBondContact O-N 3.14Å; I253-A281 HydrophobicContact CG2-CB 3.85Å; I253-F282 HydrophobicContact CD1-CE1 4.19Å; I253-F282 HydrophobicContact CD1-CZ 4.05Å; I253-F282 HydrophobicContact CG2-CE1 4.36Å
254	G	92.4	Very high	93.5	Very high	25 Å²	25	39.7 Å²	39.7	26%	0.258	22%	0.222	S	C	.	.			trans	-88.9	169.6	178.1	0	0	0	0	0	112.8	A256 S257	G254-A256 VanDerWaalsContact C-N 3.27Å; G254-A256 PolarHBondContact O-N 2.89Å; G254-S257 PolarHBondContact N-OG 3.49Å; G254-S257 VanDerWaalsContact N-OG 3.11Å; G254-S257 PolarHBondContact O-N 3.3Å
255	N	90.2	Very high	93.4	Very high	91 Å²	91	39.3 Å²	39.3	49%	0.487	22%	0.22	S	C	.	.	S	Bend	trans	-59.3	-35.9	173.4	62.7	-20.6	0	0	0	113.2
256	A	88	Confident	93.2	Very high	60 Å²	60	39.3 Å²	39.3	50%	0.496	22%	0.22	S	C	.	.	S	Bend	trans	-83	-17.3	-179.8	0	0	0	0	0	113.7	D232 G254 L258 H259	D232-A256 WeakPolarHBondContact CB-O 3.25Å; G254-A256 VanDerWaalsContact C-N 3.27Å; G254-A256 PolarHBondContact O-N 2.89Å; A256-L258 PolarHBondContact O-N 3.28Å; A256-L258 VanDerWaalsContact O-N 3.13Å; A256-H259 PolarHBondContact O-N 3.45Å
257	S	90	Very high	93.2	Very high	16 Å²	16	38.2 Å²	38.2	11%	0.112	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.1	-169.1	-68.7	0	0	0	0	115	L230 D231 G254	L230-S257 WeakPolarHBondContact O-CB 3.44Å; L230-S257 PolarHBondContact O-OG 3.28Å; D231-S257 CarbonylContact C-O 3.51Å; G254-S257 PolarHBondContact N-OG 3.49Å; G254-S257 VanDerWaalsContact N-OG 3.11Å; G254-S257 PolarHBondContact O-N 3.3Å
258	L	92.2	Very high	93.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	16.2	-177.3	-67.7	170.8	0	0	0	112.6	L230 L243 I253 A256 S260 C261 L267 F282 V284 L285	L230-L258 HydrophobicContact CD2-CD1 4.49Å; L230-L258 HydrophobicContact CD2-CD2 4.07Å; L230-L258 HydrophobicContact CD2-CG 4.23Å; L243-L258 HydrophobicContact CD2-CD2 4.35Å; I253-L258 HydrophobicContact CG2-CD1 4.41Å; A256-L258 PolarHBondContact O-N 3.28Å; A256-L258 VanDerWaalsContact O-N 3.13Å; L258-S260 VanDerWaalsContact C-N 3.3Å; L258-S260 PolarHBondContact O-N 3.27Å; L258-C261 HydrophobicContact CB-CB 4.43Å; L258-C261 VanDerWaalsContact CD2-SG 3.56Å; L258-C261 VanDerWaalsContact O-CB 3.3Å; L258-C261 WeakPolarHBondContact O-CB 3.46Å; L258-C261 PolarHBondContact O-N 3.01Å; L258-L267 HydrophobicContact CD1-CD2 3.76Å; L258-F282 HydrophobicContact CD1-CD1 4.06Å; L258-F282 HydrophobicContact CD1-CE1 3.87Å; L258-V284 WeakPolarHBondContact O-CG2 3.35Å; L258-L285 HydrophobicContact CD1-CD1 4.19Å
259	H	90.3	Very high	93.1	Very high	114 Å²	114	37.7 Å²	37.7	53%	0.528	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.3	-168.6	-177.5	-81.5	0	0	0	113.5	A256	A256-H259 PolarHBondContact O-N 3.45Å
260	S	91.8	Very high	93	Very high	36 Å²	36	36.8 Å²	36.8	25%	0.252	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.9	178.8	-58.4	0	0	0	0	114	D232 L258 T262	D232-S260 VanDerWaalsContact OD1-CB 3.26Å; D232-S260 WeakPolarHBondContact OD1-CB 3.35Å; D232-S260 PolarHBondContact OD1-N 3.25Å; D232-S260 PolarHBondContact OD1-OG 3.09Å; D232-S260 VanDerWaalsContact OD2-CB 3.32Å; D232-S260 WeakPolarHBondContact OD2-CB 3.44Å; D232-S260 PolarHBondContact OD2-N 2.94Å; D232-S260 PolarHBondContact OD2-OG 3.39Å; L258-S260 VanDerWaalsContact C-N 3.3Å; L258-S260 PolarHBondContact O-N 3.27Å; S260-T262 PolarHBondContact O-N 3.49Å
261	C	92	Very high	93	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.02	23%	0.228	C	C	.	.			trans	-79.3	37.8	-171.9	-55	0	0	0	0	114.6	C234 L258 M263 L264 L285	C234-C261 HydrophobicContact CB-CB 3.78Å; C234-C261 WeakPolarHBondContact CB-SG 3.49Å; C234-C261 WeakPolarHBondContact SG-CA 3.41Å; C234-C261 WeakPolarHBondContact SG-CB 3.39Å; C234-C261 CovalentContact SG-SG 2.03Å; C234-C261 PolarHBondContact SG-SG 3.27Å; L258-C261 HydrophobicContact CB-CB 4.43Å; L258-C261 VanDerWaalsContact CD2-SG 3.56Å; L258-C261 VanDerWaalsContact O-CB 3.3Å; L258-C261 WeakPolarHBondContact O-CB 3.46Å; L258-C261 PolarHBondContact O-N 3.01Å; C261-M263 PolarHBondContact O-N 3.21Å; C261-M263 VanDerWaalsContact O-N 3.11Å; C261-L264 HydrophobicContact CB-CB 4.3Å; C261-L264 VanDerWaalsContact O-CB 3.27Å; C261-L264 WeakPolarHBondContact O-CB 3.5Å; C261-L264 PolarHBondContact O-N 3.34Å; C261-L264 VanDerWaalsContact O-N 3.1Å; C261-L285 HydrophobicContact CB-CD2 3.78Å; C261-L285 VanDerWaalsContact O-CD2 3.32Å; C261-L285 WeakPolarHBondContact O-CD2 3.44Å
262	T	91.4	Very high	93.1	Very high	67 Å²	67	38.9 Å²	38.9	41%	0.411	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.9	-169.9	58.3	0	0	0	0	115.6	S260	S260-T262 PolarHBondContact O-N 3.49Å
263	M	91.8	Very high	93.2	Very high	64 Å²	64	38.1 Å²	38.1	32%	0.315	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-1.5	179.7	-63.1	-59.5	110.3	0	0	113.9	L240 N241 C261 T265 K287	L240-M263 CarbonylContact O-C 3.22Å; N241-M263 PolarHBondContact OD1-O 2.95Å; C261-M263 PolarHBondContact O-N 3.21Å; C261-M263 VanDerWaalsContact O-N 3.11Å; M263-T265 PolarHBondContact O-N 3.29Å; M263-K287 HydrophobicContact CE-CD 4.46Å; M263-K287 HydrophobicContact SD-CD 4.17Å; M263-K287 PolarHBondContact SD-NZ 2.93Å
264	L	93.1	Very high	93.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.			trans	-64.7	123.2	-173.4	-160.9	74.4	0	0	0	111.3	L240 L243 C261 L267 L285 K287 L288	L240-L264 HydrophobicContact CD2-CD1 4.43Å; L240-L264 HydrophobicContact CG-CD1 4.23Å; L240-L264 PolarHBondContact O-N 3.45Å; L243-L264 HydrophobicContact CB-CD1 3.79Å; L243-L264 HydrophobicContact CB-CD2 4.49Å; C261-L264 HydrophobicContact CB-CB 4.3Å; C261-L264 VanDerWaalsContact O-CB 3.27Å; C261-L264 WeakPolarHBondContact O-CB 3.5Å; C261-L264 PolarHBondContact O-N 3.34Å; C261-L264 VanDerWaalsContact O-N 3.1Å; L264-L267 HydrophobicContact CD2-CB 3.84Å; L264-L267 HydrophobicContact CD2-CD1 4.14Å; L264-L267 HydrophobicContact CD2-CD2 4.28Å; L264-L267 HydrophobicContact CD2-CG 4.31Å; L264-L285 HydrophobicContact CB-CD2 4.27Å; L264-L285 HydrophobicContact CD2-CD2 4.4Å; L264-K287 CarbonylContact O-C 3.59Å; L264-L288 HydrophobicContact CD2-CD1 4.3Å; L264-L288 HydrophobicContact CG-CD1 4.35Å; L264-L288 WeakPolarHBondContact O-CA 3.15Å; L264-L288 PolarHBondContact O-N 3.31Å
265	T	92.1	Very high	93.4	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.031	21%	0.206	C	C	.	.			trans	-100.3	-26.7	176.2	53.5	0	0	0	0	112.7	Y73 N241 M263 G289 E290	Y73-T265 HydrophobicContact CE2-CG2 4.11Å; N241-T265 PolarHBondContact O-N 3.39Å; N241-T265 PolarHBondContact O-OG1 3.07Å; M263-T265 PolarHBondContact O-N 3.29Å; T265-G289 PolarHBondContact O-N 3.38Å; T265-E290 PolarHBondContact O-N 2.98Å; T265-E290 VanDerWaalsContact O-N 3.15Å
266	V	92.8	Very high	93.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	127.5	-175.8	-178.4	0	0	0	0	110.1	W66 L69 N241 W242 L243 V268 E290	W66-V266 HydrophobicContact CE3-CB 4.15Å; W66-V266 HydrophobicContact CE3-CG1 3.92Å; W66-V266 HydrophobicContact CE3-CG2 3.73Å; W66-V266 HydrophobicContact CZ3-CB 4.12Å; W66-V266 HydrophobicContact CZ3-CG1 4.36Å; W66-V266 HydrophobicContact CZ3-CG2 3.69Å; L69-V266 HydrophobicContact CB-CG2 4.47Å; L69-V266 HydrophobicContact CD1-CG2 3.5Å; L69-V266 VanDerWaalsContact CD1-CG2 3.5Å; N241-V266 PolarHBondContact O-N 3.24Å; W242-V266 HydrophobicContact CB-CB 4.3Å; W242-V266 HydrophobicContact CG-CB 4Å; W242-V266 HydrophobicContact CG-CG1 4.12Å; L243-V266 PolarHBondContact N-O 3.22Å; L243-V266 VanDerWaalsContact N-O 3.15Å; V266-V268 HydrophobicContact CG1-CG2 4.19Å; V266-E290 HydrophobicContact CB-CB 4.49Å; V266-E290 HydrophobicContact CG1-CB 4.12Å; V266-E290 HydrophobicContact CG1-CG 4.23Å; V266-E290 HydrophobicContact CG2-CB 4.14Å
267	L	95.6	Very high	94	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	109.5	178.7	179.7	54.9	0	0	0	110.1	L243 L258 L264 L269 F282 L285 L288 E290 L291 D292	L243-L267 HydrophobicContact CB-CD1 4.36Å; L243-L267 HydrophobicContact CD2-CD1 4.13Å; L243-L267 HydrophobicContact CG-CD1 4.28Å; L258-L267 HydrophobicContact CD1-CD2 3.76Å; L264-L267 HydrophobicContact CD2-CB 3.84Å; L264-L267 HydrophobicContact CD2-CD1 4.14Å; L264-L267 HydrophobicContact CD2-CD2 4.28Å; L264-L267 HydrophobicContact CD2-CG 4.31Å; L267-L269 HydrophobicContact CD1-CD1 3.93Å; L267-L269 HydrophobicContact CD1-CG 3.94Å; L267-L269 HydrophobicContact CD2-CD1 3.81Å; L267-L269 HydrophobicContact CG-CD1 3.74Å; L267-L269 HydrophobicContact CG-CG 4.09Å; L267-F282 HydrophobicContact CD2-CE1 4.14Å; L267-L285 HydrophobicContact CD2-CD1 4.12Å; L267-L288 HydrophobicContact CB-CD1 3.83Å; L267-E290 PolarHBondContact N-O 3.38Å; L267-L291 HydrophobicContact CB-CD1 4.2Å; L267-L291 HydrophobicContact CD2-CD1 4Å; L267-L291 HydrophobicContact CG-CD1 4.13Å; L267-D292 PolarHBondContact O-N 3.26Å
268	V	95.8	Very high	94.2	Very high	12 Å²	12	40.3 Å²	40.3	7%	0.073	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.2	176.9	-177.7	0	0	0	0	109.1	L243 D244 L245 E246 V266 Q270 D292	L243-V268 PolarHBondContact O-N 3.28Å; L243-V268 VanDerWaalsContact O-N 3.1Å; D244-V268 HydrophobicContact CB-CB 4.39Å; L245-V268 PolarHBondContact N-O 3.49Å; E246-V268 HydrophobicContact CB-CG1 4.12Å; V266-V268 HydrophobicContact CG1-CG2 4.19Å; V268-Q270 HydrophobicContact CG1-CG 3.94Å; V268-D292 HydrophobicContact CG1-CB 4.44Å
269	L	96.4	Very high	94.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.21	C	C	.	.			trans	-127.3	15.7	179.8	-74.1	162	0	0	0	111.6	L245 I250 I253 L267 N272 I274 D292 L293 N296	L245-L269 HydrophobicContact CB-CD2 3.9Å; L245-L269 HydrophobicContact CD1-CD2 3.91Å; I250-L269 HydrophobicContact CD1-CD2 4.06Å; I253-L269 HydrophobicContact CD1-CD1 3.69Å; L267-L269 HydrophobicContact CD1-CD1 3.93Å; L267-L269 HydrophobicContact CD1-CG 3.94Å; L267-L269 HydrophobicContact CD2-CD1 3.81Å; L267-L269 HydrophobicContact CG-CD1 3.74Å; L267-L269 HydrophobicContact CG-CG 4.09Å; L269-N272 PolarHBondContact O-ND2 3.24Å; L269-I274 HydrophobicContact CB-CD1 3.99Å; L269-I274 HydrophobicContact CD1-CD1 4.42Å; L269-I274 HydrophobicContact CD2-CD1 4.34Å; L269-D292 CarbonylContact C-O 3.24Å; L269-D292 WeakPolarHBondContact CA-O 3.41Å; L269-D292 WeakPolarHBondContact CB-O 2.99Å; L269-D292 PolarHBondContact N-O 2.77Å; L269-L293 HydrophobicContact CB-CD2 4.06Å; L269-L293 HydrophobicContact CD1-CD2 3.89Å; L269-N296 PolarHBondContact O-ND2 3.07Å
270	Q	95.6	Very high	94.2	Very high	43 Å²	43	45 Å²	45	20%	0.201	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	154.1	-177.9	71.6	-179.6	-24.2	0	0	112.7	E246 G247 V268 N272 D292 S294	E246-Q270 VanDerWaalsContact CA-O 3.3Å; E246-Q270 WeakPolarHBondContact CA-O 3.33Å; E246-Q270 HydrophobicContact CB-CG 3.85Å; E246-Q270 VanDerWaalsContact CD-NE2 3.27Å; E246-Q270 HydrophobicContact CG-CG 3.58Å; E246-Q270 PolarHBondContact OE2-NE2 3.2Å; G247-Q270 PolarHBondContact N-O 2.87Å; V268-Q270 HydrophobicContact CG1-CG 3.94Å; Q270-N272 VanDerWaalsContact C-N 3.25Å; Q270-N272 PolarHBondContact O-N 3.07Å; Q270-N272 PolarHBondContact O-ND2 3.23Å; Q270-D292 WeakPolarHBondContact CB-OD1 3.33Å; Q270-D292 PolarHBondContact N-O 3.16Å; Q270-S294 CarbonylContact C-O 3.11Å; Q270-S294 VanDerWaalsContact CA-O 3.23Å; Q270-S294 WeakPolarHBondContact CA-O 3.26Å; Q270-S294 VanDerWaalsContact CB-OG 3.29Å; Q270-S294 WeakPolarHBondContact CB-OG 3.36Å; Q270-S294 PolarHBondContact OE1-OG 2.81Å
271	R	96.3	Very high	94.2	Very high	142 Å²	142	43.4 Å²	43.4	54%	0.536	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	33.6	177.1	-57.1	177.3	175.7	155.1	-6.3	114.4	E246 G247 S294 N295	E246-R271 WeakPolarHBondContact OE1-CD 3.48Å; E246-R271 IonicContact OE1-CZ 3.77Å; E246-R271 IonicContact OE1-NE 3.64Å; E246-R271 IonicContact OE1-NH1 3.4Å; E246-R271 PolarHBondContact OE1-NH1 2.97Å; G247-R271 WeakPolarHBondContact CA-O 3.39Å; R271-S294 PolarHBondContact N-O 3.01Å; R271-N295 WeakPolarHBondContact CA-O 3.46Å; R271-N295 HydrophobicContact CB-CB 4.49Å; R271-N295 HydrophobicContact CG-CB 3.86Å
272	N	97.5	Very high	94.3	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.043	20%	0.2	C	C	.	.	S	Bend	trans	-95.8	-160.5	171.5	-87.2	-89.9	0	0	0	110.8	L245 N248 L249 I250 L269 Q270 I274 N296	L245-N272 PolarHBondContact O-ND2 3.4Å; N248-N272 WeakPolarHBondContact CA-OD1 3.37Å; N248-N272 WeakPolarHBondContact CB-OD1 3.21Å; N248-N272 PolarHBondContact O-OD1 3.08Å; L249-N272 PolarHBondContact N-OD1 3.43Å; I250-N272 HydrophobicContact CB-CB 4.44Å; I250-N272 WeakPolarHBondContact CB-OD1 3.27Å; I250-N272 WeakPolarHBondContact CG1-OD1 3.5Å; I250-N272 PolarHBondContact N-OD1 2.86Å; I250-N272 VanDerWaalsContact N-OD1 3.08Å; L269-N272 PolarHBondContact O-ND2 3.24Å; Q270-N272 VanDerWaalsContact C-N 3.25Å; Q270-N272 PolarHBondContact O-N 3.07Å; Q270-N272 PolarHBondContact O-ND2 3.23Å; N272-I274 HydrophobicContact CB-CD1 4.1Å; N272-I274 HydrophobicContact CB-CG1 3.98Å; N272-N296 VanDerWaalsContact CA-OD1 3.3Å; N272-N296 WeakPolarHBondContact CA-OD1 3.27Å; N272-N296 WeakPolarHBondContact CB-OD1 3.48Å; N272-N296 PolarHBondContact N-OD1 3.42Å; N272-N296 PolarHBondContact O-OD1 3.11Å
273	R	96.8	Very high	94.3	Very high	113 Å²	113	42 Å²	42	43%	0.426	19%	0.194	S	C	.	.			trans	-120.6	24.7	177.5	-61.6	-173.8	177.6	-160.4	0.8	112	I250 E251 S275 N296	I250-R273 CarbonylContact O-C 3.51Å; I250-R273 WeakPolarHBondContact O-CA 3.45Å; I250-R273 PolarHBondContact O-N 2.93Å; E251-R273 HydrophobicContact CG-CB 4.42Å; R273-S275 PolarHBondContact O-N 3.36Å; R273-S275 VanDerWaalsContact O-N 3.15Å; R273-N296 PolarHBondContact N-OD1 3.15Å
274	I	97.3	Very high	94.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.188	C	C	.	.			trans	-65.3	118.9	-169	-55.4	161.1	0	0	0	108.8	I250 E251 I253 L269 N272 I277 L293 N296 R297 L298	I250-I274 HydrophobicContact CB-CG1 4.43Å; I250-I274 HydrophobicContact CG2-CG1 4.25Å; I250-I274 WeakPolarHBondContact O-CG1 3.45Å; I250-I274 PolarHBondContact O-N 3.4Å; E251-I274 WeakPolarHBondContact O-CA 3.4Å; I253-I274 HydrophobicContact CD1-CD1 4Å; I253-I274 HydrophobicContact CD1-CG2 4.44Å; I253-I274 HydrophobicContact CG1-CD1 4.47Å; I253-I274 HydrophobicContact CG1-CG2 4.27Å; L269-I274 HydrophobicContact CB-CD1 3.99Å; L269-I274 HydrophobicContact CD1-CD1 4.42Å; L269-I274 HydrophobicContact CD2-CD1 4.34Å; N272-I274 HydrophobicContact CB-CD1 4.1Å; N272-I274 HydrophobicContact CB-CG1 3.98Å; I274-I277 HydrophobicContact CG2-CD1 4.23Å; I274-I277 HydrophobicContact CG2-CG1 3.74Å; I274-L293 HydrophobicContact CD1-CD2 4.27Å; I274-N296 HydrophobicContact CB-CB 4.32Å; I274-N296 WeakPolarHBondContact CB-OD1 3.47Å; I274-N296 WeakPolarHBondContact CD1-OD1 3.31Å; I274-N296 VanDerWaalsContact CG1-OD1 3.28Å; I274-N296 WeakPolarHBondContact CG1-OD1 3.2Å; I274-N296 PolarHBondContact N-OD1 2.74Å; I274-R297 CarbonylContact O-C 3.23Å; I274-R297 VanDerWaalsContact O-CA 3.28Å; I274-R297 WeakPolarHBondContact O-CA 3.41Å; I274-R297 PolarHBondContact O-N 2.75Å; I274-L298 HydrophobicContact CB-CD2 4.43Å; I274-L298 HydrophobicContact CG2-CD2 3.85Å; I274-L298 PolarHBondContact O-N 3.35Å; I274-L298 VanDerWaalsContact O-N 3.17Å
275	S	95.5	Very high	94.2	Very high	56 Å²	56	40.5 Å²	40.5	39%	0.392	19%	0.188	S	C	.	.			trans	-111.6	-21.8	-178.7	57.2	0	0	0	0	112.8	E251 R273	E251-S275 PolarHBondContact O-N 2.91Å; E251-S275 PolarHBondContact O-OG 3.2Å; E251-S275 VanDerWaalsContact O-OG 3.1Å; R273-S275 PolarHBondContact O-N 3.36Å; R273-S275 VanDerWaalsContact O-N 3.15Å
276	Y	94.5	Very high	94.2	Very high	123 Å²	123	46 Å²	46	48%	0.482	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	132	-178.2	176.8	-95.1	0	0	0	110.9	K252 I253 H278	K252-Y276 WeakPolarHBondContact CA-O 3.43Å; I253-Y276 PolarHBondContact N-O 3.39Å; Y276-H278 HydrophobicContact CE1-CB 4.22Å
277	I	95.6	Very high	94.1	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.3	172.2	-58	175.1	0	0	0	106.8	I253 I274 A281 F282 L293 L298 P302 L305	I253-I277 HydrophobicContact CB-CG1 4.41Å; I253-I277 HydrophobicContact CB-CG2 4.32Å; I253-I277 HydrophobicContact CD1-CD1 4.42Å; I253-I277 HydrophobicContact CD1-CG1 4.26Å; I253-I277 HydrophobicContact CG1-CG1 4.47Å; I274-I277 HydrophobicContact CG2-CD1 4.23Å; I274-I277 HydrophobicContact CG2-CG1 3.74Å; I277-A281 HydrophobicContact CG2-CB 3.84Å; I277-F282 HydrophobicContact CD1-CE2 4.37Å; I277-F282 HydrophobicContact CD1-CZ 4.26Å; I277-F282 HydrophobicContact CG2-CE2 4.17Å; I277-F282 HydrophobicContact CG2-CZ 4.12Å; I277-L293 HydrophobicContact CD1-CD1 3.99Å; I277-L293 HydrophobicContact CD1-CD2 4.11Å; I277-L298 HydrophobicContact CD1-CD1 4.03Å; I277-L298 HydrophobicContact CD1-CD2 3.81Å; I277-L298 HydrophobicContact CG1-CD2 3.89Å; I277-P302 VanDerWaalsContact O-CG 3.23Å; I277-P302 WeakPolarHBondContact O-CG 3.35Å; I277-L305 HydrophobicContact CB-CD2 4.35Å; I277-L305 HydrophobicContact CD1-CD2 4.28Å; I277-L305 HydrophobicContact CG2-CD1 3.61Å; I277-L305 HydrophobicContact CG2-CD2 3.91Å; I277-L305 HydrophobicContact CG2-CG 4.44Å
278	H	94.4	Very high	94	Very high	54 Å²	54	50.9 Å²	50.9	25%	0.25	24%	0.235	C	C	.	.			trans	-70.9	139.6	175.2	-173.9	-83.3	0	0	0	110.9	I253 Y276 Q280 A281	I253-H278 PolarHBondContact O-N 3.14Å; Y276-H278 HydrophobicContact CE1-CB 4.22Å; H278-Q280 PolarHBondContact ND1-N 3.14Å; H278-Q280 PolarHBondContact O-N 3.12Å; H278-Q280 VanDerWaalsContact O-N 3.08Å; H278-A281 HydrophobicContact CB-CB 4.36Å; H278-A281 WeakPolarHBondContact O-CB 3.37Å; H278-A281 PolarHBondContact O-N 3.48Å
279	E	90.9	Very high	93.7	Very high	92 Å²	92	50.6 Å²	50.6	43%	0.43	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-42.5	-176	-74.3	173.5	-143.1	0	0	114.2	P302	E279-P302 HydrophobicContact CB-CB 4.35Å; E279-P302 HydrophobicContact CG-CB 3.5Å
280	Q	91	Very high	93.6	Very high	122 Å²	122	51.2 Å²	51.2	57%	0.57	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	3.8	-179	-65.1	176.6	-24.7	0	0	114.8	H278 F282 S283	H278-Q280 PolarHBondContact ND1-N 3.14Å; H278-Q280 PolarHBondContact O-N 3.12Å; H278-Q280 VanDerWaalsContact O-N 3.08Å; Q280-F282 VanDerWaalsContact C-N 3.25Å; Q280-F282 PolarHBondContact O-N 3.07Å; Q280-S283 VanDerWaalsContact O-CB 3.31Å; Q280-S283 WeakPolarHBondContact O-CB 3.39Å; Q280-S283 PolarHBondContact O-N 3.5Å; Q280-S283 VanDerWaalsContact O-N 3.1Å; Q280-S283 PolarHBondContact O-OG 3.18Å
281	A	92.8	Very high	93.6	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.2	-172.2	0	0	0	0	0	114.2	I253 I277 H278	I253-A281 HydrophobicContact CG2-CB 3.85Å; I277-A281 HydrophobicContact CG2-CB 3.84Å; H278-A281 HydrophobicContact CB-CB 4.36Å; H278-A281 WeakPolarHBondContact O-CB 3.37Å; H278-A281 PolarHBondContact O-N 3.48Å
282	F	93.8	Very high	93.6	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	4.9	179.9	-53.9	-34.9	0	0	0	113.7	I253 L258 L267 I277 Q280 V284 L285 L291 L293 L305 L309	I253-F282 HydrophobicContact CD1-CE1 4.19Å; I253-F282 HydrophobicContact CD1-CZ 4.05Å; I253-F282 HydrophobicContact CG2-CE1 4.36Å; L258-F282 HydrophobicContact CD1-CD1 4.06Å; L258-F282 HydrophobicContact CD1-CE1 3.87Å; L267-F282 HydrophobicContact CD2-CE1 4.14Å; I277-F282 HydrophobicContact CD1-CE2 4.37Å; I277-F282 HydrophobicContact CD1-CZ 4.26Å; I277-F282 HydrophobicContact CG2-CE2 4.17Å; I277-F282 HydrophobicContact CG2-CZ 4.12Å; Q280-F282 VanDerWaalsContact C-N 3.25Å; Q280-F282 PolarHBondContact O-N 3.07Å; F282-V284 PolarHBondContact O-N 3.07Å; F282-V284 VanDerWaalsContact O-N 3.1Å; F282-L285 HydrophobicContact CB-CD1 4.02Å; F282-L285 HydrophobicContact CB-CG 4.46Å; F282-L285 HydrophobicContact CD1-CD1 3.66Å; F282-L285 HydrophobicContact CG-CD1 4.16Å; F282-L285 WeakPolarHBondContact O-CB 3.44Å; F282-L285 PolarHBondContact O-N 3.49Å; F282-L291 HydrophobicContact CD2-CD2 4.02Å; F282-L291 HydrophobicContact CE2-CD1 4.49Å; F282-L291 HydrophobicContact CE2-CD2 3.84Å; F282-L291 HydrophobicContact CZ-CD1 4.4Å; F282-L293 HydrophobicContact CE2-CD1 4.15Å; F282-L293 HydrophobicContact CZ-CD1 4.45Å; F282-L293 HydrophobicContact CZ-CD2 4.41Å; F282-L305 HydrophobicContact CB-CD1 4.48Å; F282-L305 HydrophobicContact CD2-CD1 3.49Å; F282-L305 VanDerWaalsContact CD2-CD1 3.49Å; F282-L305 HydrophobicContact CD2-CD2 4.12Å; F282-L305 HydrophobicContact CD2-CG 3.74Å; F282-L305 HydrophobicContact CE2-CD1 3.91Å; F282-L305 HydrophobicContact CE2-CD2 3.91Å; F282-L305 HydrophobicContact CE2-CG 4.06Å; F282-L305 HydrophobicContact CG-CD1 4.12Å; F282-L309 HydrophobicContact CB-CD1 4.35Å; F282-L309 HydrophobicContact CB-CD2 4.25Å
283	S	90.1	Very high	93.5	Very high	39 Å²	39	42.8 Å²	42.8	27%	0.273	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.3	-174.8	59.5	0	0	0	0	115	Q280	Q280-S283 VanDerWaalsContact O-CB 3.31Å; Q280-S283 WeakPolarHBondContact O-CB 3.39Å; Q280-S283 PolarHBondContact O-N 3.5Å; Q280-S283 VanDerWaalsContact O-N 3.1Å; Q280-S283 PolarHBondContact O-OG 3.18Å
284	V	90.8	Very high	93.5	Very high	33 Å²	33	37.5 Å²	37.5	20%	0.2	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-11.6	178.3	-65	0	0	0	0	113.8	L258 F282 Q286	L258-V284 WeakPolarHBondContact O-CG2 3.35Å; F282-V284 PolarHBondContact O-N 3.07Å; F282-V284 VanDerWaalsContact O-N 3.1Å; V284-Q286 PolarHBondContact O-N 3.47Å
285	L	93	Very high	93.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.			trans	-87.6	46.7	-172	-52.2	-178.5	0	0	0	111.8	L258 C261 L264 L267 F282 K287 L288 L309	L258-L285 HydrophobicContact CD1-CD1 4.19Å; C261-L285 HydrophobicContact CB-CD2 3.78Å; C261-L285 VanDerWaalsContact O-CD2 3.32Å; C261-L285 WeakPolarHBondContact O-CD2 3.44Å; L264-L285 HydrophobicContact CB-CD2 4.27Å; L264-L285 HydrophobicContact CD2-CD2 4.4Å; L267-L285 HydrophobicContact CD2-CD1 4.12Å; F282-L285 HydrophobicContact CB-CD1 4.02Å; F282-L285 HydrophobicContact CB-CG 4.46Å; F282-L285 HydrophobicContact CD1-CD1 3.66Å; F282-L285 HydrophobicContact CG-CD1 4.16Å; F282-L285 WeakPolarHBondContact O-CB 3.44Å; F282-L285 PolarHBondContact O-N 3.49Å; L285-K287 PolarHBondContact O-N 3.24Å; L285-L288 HydrophobicContact CB-CB 4.08Å; L285-L288 HydrophobicContact CB-CD2 4.34Å; L285-L288 HydrophobicContact CD1-CD2 4.16Å; L285-L288 WeakPolarHBondContact O-CB 3.04Å; L285-L288 PolarHBondContact O-N 2.98Å; L285-L309 HydrophobicContact CB-CD2 4.14Å; L285-L309 WeakPolarHBondContact O-CD2 3.38Å
286	Q	91.1	Very high	93.5	Very high	121 Å²	121	38.5 Å²	38.5	57%	0.565	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.8	-171.7	-65.9	177.7	-7.2	0	0	114.3	V284	V284-Q286 PolarHBondContact O-N 3.47Å
287	K	91.1	Very high	93.6	Very high	103 Å²	103	39.5 Å²	39.5	45%	0.448	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	4	178.2	-65.4	-174.4	176.4	-177	0	114.1	M263 L264 L285 G289	M263-K287 HydrophobicContact CE-CD 4.46Å; M263-K287 HydrophobicContact SD-CD 4.17Å; M263-K287 PolarHBondContact SD-NZ 2.93Å; L264-K287 CarbonylContact O-C 3.59Å; L285-K287 PolarHBondContact O-N 3.24Å; K287-G289 PolarHBondContact O-N 3.36Å; K287-G289 VanDerWaalsContact O-N 3.16Å
288	L	92.9	Very high	93.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.188	C	C	.	.			trans	-67.6	113.8	-175.5	-164.2	71.4	0	0	0	109.8	L264 L267 L285 E290 L291 L309 D311 L312	L264-L288 HydrophobicContact CD2-CD1 4.3Å; L264-L288 HydrophobicContact CG-CD1 4.35Å; L264-L288 WeakPolarHBondContact O-CA 3.15Å; L264-L288 PolarHBondContact O-N 3.31Å; L267-L288 HydrophobicContact CB-CD1 3.83Å; L285-L288 HydrophobicContact CB-CB 4.08Å; L285-L288 HydrophobicContact CB-CD2 4.34Å; L285-L288 HydrophobicContact CD1-CD2 4.16Å; L285-L288 WeakPolarHBondContact O-CB 3.04Å; L285-L288 PolarHBondContact O-N 2.98Å; L288-E290 WeakPolarHBondContact CD1-O 3.22Å; L288-L291 HydrophobicContact CD2-CB 3.91Å; L288-L291 HydrophobicContact CD2-CD1 4.31Å; L288-L291 HydrophobicContact CD2-CD2 4.3Å; L288-L291 HydrophobicContact CD2-CG 4.4Å; L288-L309 HydrophobicContact CB-CD2 4.37Å; L288-L309 HydrophobicContact CD2-CD1 4.38Å; L288-L309 HydrophobicContact CD2-CD2 4.38Å; L288-D311 CarbonylContact O-C 3.47Å; L288-L312 HydrophobicContact CB-CD1 4.43Å; L288-L312 HydrophobicContact CD2-CD1 4.23Å; L288-L312 HydrophobicContact CG-CD1 4.1Å; L288-L312 WeakPolarHBondContact O-CA 3.45Å; L288-L312 WeakPolarHBondContact O-CD1 3.38Å; L288-L312 PolarHBondContact O-N 2.9Å
289	G	91.1	Very high	93.5	Very high	5 Å²	5	40.8 Å²	40.8	5%	0.052	20%	0.199	C	C	.	.			trans	-92.5	-25.3	175	0	0	0	0	0	112.9	T265 K287 L313 Q314	T265-G289 PolarHBondContact O-N 3.38Å; K287-G289 PolarHBondContact O-N 3.36Å; K287-G289 VanDerWaalsContact O-N 3.16Å; G289-L313 WeakPolarHBondContact O-CA 3.27Å; G289-L313 WeakPolarHBondContact O-CB 3.39Å; G289-L313 PolarHBondContact O-N 2.98Å; G289-Q314 PolarHBondContact O-N 3.47Å
290	E	92.9	Very high	93.5	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.065	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	130.2	-179.3	179.5	176.1	-174.3	0	0	111.8	G65 W66 L69 T265 V266 L267 L288 Q314	G65-E290 VanDerWaalsContact C-OE2 3.29Å; G65-E290 WeakPolarHBondContact CA-OE2 3.32Å; W66-E290 VanDerWaalsContact CA-OE2 3.27Å; W66-E290 WeakPolarHBondContact CA-OE2 3.43Å; W66-E290 PolarHBondContact N-OE2 3.3Å; L69-E290 HydrophobicContact CD1-CB 4.13Å; T265-E290 PolarHBondContact O-N 2.98Å; T265-E290 VanDerWaalsContact O-N 3.15Å; V266-E290 HydrophobicContact CB-CB 4.49Å; V266-E290 HydrophobicContact CG1-CB 4.12Å; V266-E290 HydrophobicContact CG1-CG 4.23Å; V266-E290 HydrophobicContact CG2-CB 4.14Å; L267-E290 PolarHBondContact N-O 3.38Å; L288-E290 WeakPolarHBondContact CD1-O 3.22Å; E290-Q314 WeakPolarHBondContact CA-O 3.03Å; E290-Q314 HydrophobicContact CG-CB 4.27Å; E290-Q314 HydrophobicContact CG-CG 4.43Å
291	L	95.8	Very high	93.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	115.2	176.4	178.3	56.4	0	0	0	110	L267 F282 L288 L293 F306 L309 L312 Q314 L315 N316	L267-L291 HydrophobicContact CB-CD1 4.2Å; L267-L291 HydrophobicContact CD2-CD1 4Å; L267-L291 HydrophobicContact CG-CD1 4.13Å; F282-L291 HydrophobicContact CD2-CD2 4.02Å; F282-L291 HydrophobicContact CE2-CD1 4.49Å; F282-L291 HydrophobicContact CE2-CD2 3.84Å; F282-L291 HydrophobicContact CZ-CD1 4.4Å; L288-L291 HydrophobicContact CD2-CB 3.91Å; L288-L291 HydrophobicContact CD2-CD1 4.31Å; L288-L291 HydrophobicContact CD2-CD2 4.3Å; L288-L291 HydrophobicContact CD2-CG 4.4Å; L291-L293 HydrophobicContact CD1-CD1 4.32Å; L291-L293 HydrophobicContact CD1-CD2 4.37Å; L291-L293 HydrophobicContact CD1-CG 4.01Å; L291-L293 HydrophobicContact CD2-CD1 4.05Å; L291-L293 HydrophobicContact CG-CD1 4.14Å; L291-L293 HydrophobicContact CG-CG 4.13Å; L291-F306 HydrophobicContact CD2-CE1 4Å; L291-L309 HydrophobicContact CD2-CD1 4.28Å; L291-L312 HydrophobicContact CB-CD1 3.99Å; L291-Q314 PolarHBondContact N-O 3.1Å; L291-L315 HydrophobicContact CB-CD1 4.14Å; L291-L315 HydrophobicContact CD2-CD1 4Å; L291-L315 HydrophobicContact CG-CD1 4.1Å; L291-N316 PolarHBondContact O-N 3.3Å
292	D	95.8	Very high	93.6	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.064	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.8	173.1	-157.1	-42.5	0	0	0	111.6	L267 V268 L269 Q270 S294 N316	L267-D292 PolarHBondContact O-N 3.26Å; V268-D292 HydrophobicContact CG1-CB 4.44Å; L269-D292 CarbonylContact C-O 3.24Å; L269-D292 WeakPolarHBondContact CA-O 3.41Å; L269-D292 WeakPolarHBondContact CB-O 2.99Å; L269-D292 PolarHBondContact N-O 2.77Å; Q270-D292 WeakPolarHBondContact CB-OD1 3.33Å; Q270-D292 PolarHBondContact N-O 3.16Å; D292-S294 VanDerWaalsContact OD1-CB 3.23Å; D292-S294 WeakPolarHBondContact OD1-CB 3.46Å; D292-S294 PolarHBondContact OD1-N 3.13Å; D292-S294 PolarHBondContact OD1-OG 3.09Å; D292-N316 HydrophobicContact CB-CB 4.35Å; D292-N316 VanDerWaalsContact CG-ND2 3.35Å; D292-N316 PolarHBondContact OD1-ND2 2.62Å; D292-N316 WeakPolarHBondContact OD2-CB 3.43Å; D292-N316 PolarHBondContact OD2-ND2 3.37Å
293	L	96.5	Very high	93.2	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.202	C	C	.	.			trans	-116.8	14.6	176.4	-68	168.9	0	0	0	111.7	L269 I274 I277 F282 L291 N296 L298 N316 N320	L269-L293 HydrophobicContact CB-CD2 4.06Å; L269-L293 HydrophobicContact CD1-CD2 3.89Å; I274-L293 HydrophobicContact CD1-CD2 4.27Å; I277-L293 HydrophobicContact CD1-CD1 3.99Å; I277-L293 HydrophobicContact CD1-CD2 4.11Å; F282-L293 HydrophobicContact CE2-CD1 4.15Å; F282-L293 HydrophobicContact CZ-CD1 4.45Å; F282-L293 HydrophobicContact CZ-CD2 4.41Å; L291-L293 HydrophobicContact CD1-CD1 4.32Å; L291-L293 HydrophobicContact CD1-CD2 4.37Å; L291-L293 HydrophobicContact CD1-CG 4.01Å; L291-L293 HydrophobicContact CD2-CD1 4.05Å; L291-L293 HydrophobicContact CG-CD1 4.14Å; L291-L293 HydrophobicContact CG-CG 4.13Å; L293-N296 WeakPolarHBondContact O-CB 3.08Å; L293-N296 PolarHBondContact O-ND2 3.27Å; L293-L298 HydrophobicContact CB-CD1 4.32Å; L293-L298 HydrophobicContact CD1-CD1 4.47Å; L293-N316 PolarHBondContact N-O 3Å; L293-N320 PolarHBondContact O-ND2 2.85Å
294	S	96.1	Very high	93	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.014	21%	0.213	C	C	.	.			trans	-65.5	159.7	-174.2	62.3	0	0	0	0	114.1	Q270 R271 D292 N296 N316 S318	Q270-S294 CarbonylContact C-O 3.11Å; Q270-S294 VanDerWaalsContact CA-O 3.23Å; Q270-S294 WeakPolarHBondContact CA-O 3.26Å; Q270-S294 VanDerWaalsContact CB-OG 3.29Å; Q270-S294 WeakPolarHBondContact CB-OG 3.36Å; Q270-S294 PolarHBondContact OE1-OG 2.81Å; R271-S294 PolarHBondContact N-O 3.01Å; D292-S294 VanDerWaalsContact OD1-CB 3.23Å; D292-S294 WeakPolarHBondContact OD1-CB 3.46Å; D292-S294 PolarHBondContact OD1-N 3.13Å; D292-S294 PolarHBondContact OD1-OG 3.09Å; S294-N296 VanDerWaalsContact C-N 3.26Å; S294-N296 PolarHBondContact O-N 3.14Å; S294-N296 PolarHBondContact O-ND2 3.22Å; S294-N316 WeakPolarHBondContact CB-ND2 3.48Å; S294-N316 PolarHBondContact OG-ND2 2.89Å; S294-S318 CarbonylContact C-O 3.23Å; S294-S318 WeakPolarHBondContact CA-O 3.37Å; S294-S318 WeakPolarHBondContact CB-O 3.36Å; S294-S318 VanDerWaalsContact CB-OG 3.25Å; S294-S318 WeakPolarHBondContact CB-OG 3.48Å
295	N	96.2	Very high	93	Very high	69 Å²	69	38.9 Å²	38.9	37%	0.369	21%	0.205	S	C	.	.	S	Bend	trans	53.1	41.3	178.2	-64.3	47.1	0	0	0	113	R271 S318 Y319	R271-N295 WeakPolarHBondContact CA-O 3.46Å; R271-N295 HydrophobicContact CB-CB 4.49Å; R271-N295 HydrophobicContact CG-CB 3.86Å; N295-S318 PolarHBondContact N-O 3.23Å; N295-Y319 WeakPolarHBondContact OD1-CB 3.1Å; N295-Y319 WeakPolarHBondContact OD1-CD2 3.5Å
296	N	97.5	Very high	93	Very high	9 Å²	9	39.1 Å²	39.1	5%	0.048	21%	0.206	C	C	.	.	S	Bend	trans	-108.9	-160	176.7	-88.7	-78	0	0	0	110.8	L269 N272 R273 I274 L293 S294 L298 N320	L269-N296 PolarHBondContact O-ND2 3.07Å; N272-N296 VanDerWaalsContact CA-OD1 3.3Å; N272-N296 WeakPolarHBondContact CA-OD1 3.27Å; N272-N296 WeakPolarHBondContact CB-OD1 3.48Å; N272-N296 PolarHBondContact N-OD1 3.42Å; N272-N296 PolarHBondContact O-OD1 3.11Å; R273-N296 PolarHBondContact N-OD1 3.15Å; I274-N296 HydrophobicContact CB-CB 4.32Å; I274-N296 WeakPolarHBondContact CB-OD1 3.47Å; I274-N296 WeakPolarHBondContact CD1-OD1 3.31Å; I274-N296 VanDerWaalsContact CG1-OD1 3.28Å; I274-N296 WeakPolarHBondContact CG1-OD1 3.2Å; I274-N296 PolarHBondContact N-OD1 2.74Å; L293-N296 WeakPolarHBondContact O-CB 3.08Å; L293-N296 PolarHBondContact O-ND2 3.27Å; S294-N296 VanDerWaalsContact C-N 3.26Å; S294-N296 PolarHBondContact O-N 3.14Å; S294-N296 PolarHBondContact O-ND2 3.22Å; N296-L298 HydrophobicContact CB-CG 4.48Å; N296-N320 VanDerWaalsContact CA-OD1 3.27Å; N296-N320 WeakPolarHBondContact CA-OD1 3.33Å; N296-N320 WeakPolarHBondContact CB-OD1 3.19Å; N296-N320 PolarHBondContact N-OD1 3.18Å; N296-N320 PolarHBondContact O-OD1 3.49Å
297	R	96.3	Very high	92.9	Very high	143 Å²	143	35.8 Å²	35.8	54%	0.54	19%	0.194	S	C	.	.			trans	-123.9	28.3	-177	-61.8	-176.2	175.2	-158.8	-5.7	112.3	I274 V299 N320	I274-R297 CarbonylContact O-C 3.23Å; I274-R297 VanDerWaalsContact O-CA 3.28Å; I274-R297 WeakPolarHBondContact O-CA 3.41Å; I274-R297 PolarHBondContact O-N 2.75Å; R297-V299 PolarHBondContact O-N 3.37Å; R297-N320 PolarHBondContact N-OD1 3.21Å
298	L	95.2	Very high	92.7	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	19%	0.193	C	C	.	.			trans	-69.8	123	-179.2	-60.4	172.6	0	0	0	110.4	I274 I277 L293 N296 N320 P321 I322	I274-L298 HydrophobicContact CB-CD2 4.43Å; I274-L298 HydrophobicContact CG2-CD2 3.85Å; I274-L298 PolarHBondContact O-N 3.35Å; I274-L298 VanDerWaalsContact O-N 3.17Å; I277-L298 HydrophobicContact CD1-CD1 4.03Å; I277-L298 HydrophobicContact CD1-CD2 3.81Å; I277-L298 HydrophobicContact CG1-CD2 3.89Å; L293-L298 HydrophobicContact CB-CD1 4.32Å; L293-L298 HydrophobicContact CD1-CD1 4.47Å; N296-L298 HydrophobicContact CB-CG 4.48Å; L298-N320 HydrophobicContact CB-CB 4.12Å; L298-N320 WeakPolarHBondContact CB-OD1 3.2Å; L298-N320 WeakPolarHBondContact CG-OD1 3.42Å; L298-N320 PolarHBondContact N-OD1 2.86Å; L298-P321 CarbonylContact O-C 3.58Å; L298-P321 VanDerWaalsContact O-C 3.23Å; L298-P321 VanDerWaalsContact O-CD 3.26Å; L298-P321 WeakPolarHBondContact O-CD 3.09Å; L298-P321 WeakPolarHBondContact O-CG 3.36Å; L298-I322 HydrophobicContact CB-CG1 4.39Å; L298-I322 WeakPolarHBondContact O-CG1 3.31Å; L298-I322 PolarHBondContact O-N 3.15Å
299	V	92.7	Very high	92.7	Very high	80 Å²	80	34.8 Å²	34.8	49%	0.485	19%	0.193	S	C	.	.	S	Bend	trans	-93.8	-28.3	178.4	-178.6	0	0	0	0	112	R297 P321 I322 V323	R297-V299 PolarHBondContact O-N 3.37Å; V299-P321 WeakPolarHBondContact CA-O 3.22Å; V299-P321 HydrophobicContact CG2-CG 4.46Å; V299-I322 WeakPolarHBondContact O-CA 3.27Å; V299-V323 HydrophobicContact CG1-CG2 3.99Å; V299-V323 PolarHBondContact O-N 2.79Å
300	A	91.4	Very high	92.6	Very high	65 Å²	65	40.2 Å²	40.2	54%	0.537	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-149.1	153.6	176.9	0	0	0	0	0	109.9
301	I	92.6	Very high	92.4	Very high	12 Å²	12	42.8 Å²	42.8	6%	0.062	23%	0.231	C	C	.	.			trans	-96.8	132.5	169.5	-56	-174.9	0	0	0	107.6	L305 F306 I317 I322 L325 H329	I301-L305 HydrophobicContact CG2-CB 4.37Å; I301-L305 HydrophobicContact CG2-CD2 4.19Å; I301-F306 HydrophobicContact CD1-CE2 4Å; I301-F306 HydrophobicContact CD1-CZ 4.3Å; I301-F306 HydrophobicContact CG2-CD2 4.41Å; I301-F306 HydrophobicContact CG2-CE2 3.74Å; I301-F306 HydrophobicContact CG2-CZ 4.02Å; I301-I317 HydrophobicContact CD1-CD1 3.79Å; I301-I317 HydrophobicContact CD1-CG2 4.5Å; I301-I322 HydrophobicContact CD1-CD1 3.99Å; I301-I322 HydrophobicContact CG1-CD1 3.94Å; I301-L325 HydrophobicContact CD1-CD2 3.68Å; I301-L325 HydrophobicContact CG1-CD2 4.24Å; I301-H329 PolarHBondContact O-NE2 3.03Å
302	P	91.9	Very high	92.3	Very high	24 Å²	24	42.7 Å²	42.7	16%	0.156	23%	0.231	C	C	.	.			trans	-68	139.3	172.9	-11.8	25.3	0	0	0	111.3	I277 E279 N304 L305	I277-P302 VanDerWaalsContact O-CG 3.23Å; I277-P302 WeakPolarHBondContact O-CG 3.35Å; E279-P302 HydrophobicContact CB-CB 4.35Å; E279-P302 HydrophobicContact CG-CB 3.5Å; P302-N304 VanDerWaalsContact C-N 3.32Å; P302-N304 PolarHBondContact O-N 2.65Å; P302-L305 HydrophobicContact CB-CB 4.36Å; P302-L305 HydrophobicContact CG-CB 4.41Å; P302-L305 HydrophobicContact CG-CD2 4.41Å; P302-L305 VanDerWaalsContact O-CB 3.29Å; P302-L305 WeakPolarHBondContact O-CB 3.27Å; P302-L305 PolarHBondContact O-N 3.44Å; P302-L305 VanDerWaalsContact O-N 3.09Å
303	P	86	Confident	92.1	Very high	49 Å²	49	43.7 Å²	43.7	32%	0.318	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-40.1	-167.2	19.6	-32.7	0	0	0	113.8
304	N	86.5	Confident	91.9	Very high	92 Å²	92	45 Å²	45	49%	0.492	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	4.5	-175.3	-64.8	-57.3	0	0	0	114.5	P302 F306 V307	P302-N304 VanDerWaalsContact C-N 3.32Å; P302-N304 PolarHBondContact O-N 2.65Å; N304-F306 VanDerWaalsContact C-N 3.33Å; N304-F306 PolarHBondContact O-N 3.34Å; N304-V307 HydrophobicContact CB-CG2 4.38Å; N304-V307 PolarHBondContact O-N 2.84Å
305	L	91.4	Very high	91.8	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.037	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.7	-166.9	-175.5	62.2	0	0	0	113.9	I277 F282 I301 P302	I277-L305 HydrophobicContact CB-CD2 4.35Å; I277-L305 HydrophobicContact CD1-CD2 4.28Å; I277-L305 HydrophobicContact CG2-CD1 3.61Å; I277-L305 HydrophobicContact CG2-CD2 3.91Å; I277-L305 HydrophobicContact CG2-CG 4.44Å; F282-L305 HydrophobicContact CB-CD1 4.48Å; F282-L305 HydrophobicContact CD2-CD1 3.49Å; F282-L305 VanDerWaalsContact CD2-CD1 3.49Å; F282-L305 HydrophobicContact CD2-CD2 4.12Å; F282-L305 HydrophobicContact CD2-CG 3.74Å; F282-L305 HydrophobicContact CE2-CD1 3.91Å; F282-L305 HydrophobicContact CE2-CD2 3.91Å; F282-L305 HydrophobicContact CE2-CG 4.06Å; F282-L305 HydrophobicContact CG-CD1 4.12Å; I301-L305 HydrophobicContact CG2-CB 4.37Å; I301-L305 HydrophobicContact CG2-CD2 4.19Å; P302-L305 HydrophobicContact CB-CB 4.36Å; P302-L305 HydrophobicContact CG-CB 4.41Å; P302-L305 HydrophobicContact CG-CD2 4.41Å; P302-L305 VanDerWaalsContact O-CB 3.29Å; P302-L305 WeakPolarHBondContact O-CB 3.27Å; P302-L305 PolarHBondContact O-N 3.44Å; P302-L305 VanDerWaalsContact O-N 3.09Å
306	F	91.8	Very high	91.8	Very high	5 Å²	5	42.5 Å²	42.5	2%	0.022	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-1.6	-174.9	-55.5	-40.3	0	0	0	114.1	L291 I301 N304 L308 L309 L315 I317 F330 L333	L291-F306 HydrophobicContact CD2-CE1 4Å; I301-F306 HydrophobicContact CD1-CE2 4Å; I301-F306 HydrophobicContact CD1-CZ 4.3Å; I301-F306 HydrophobicContact CG2-CD2 4.41Å; I301-F306 HydrophobicContact CG2-CE2 3.74Å; I301-F306 HydrophobicContact CG2-CZ 4.02Å; N304-F306 VanDerWaalsContact C-N 3.33Å; N304-F306 PolarHBondContact O-N 3.34Å; F306-L308 PolarHBondContact O-N 2.95Å; F306-L308 VanDerWaalsContact O-N 3.11Å; F306-L309 HydrophobicContact CD1-CD1 3.92Å; F306-L309 PolarHBondContact O-N 3.16Å; F306-L309 VanDerWaalsContact O-N 3.09Å; F306-L315 HydrophobicContact CD2-CD2 4.25Å; F306-L315 HydrophobicContact CE1-CD1 4.25Å; F306-L315 HydrophobicContact CE2-CD2 3.92Å; F306-L315 HydrophobicContact CZ-CD1 4.17Å; F306-L315 HydrophobicContact CZ-CD2 4.09Å; F306-I317 HydrophobicContact CZ-CG2 4.44Å; F306-F330 HydrophobicContact CE2-CE1 4.4Å; F306-L333 HydrophobicContact CB-CD1 4.29Å; F306-L333 HydrophobicContact CB-CD2 4.17Å; F306-L333 HydrophobicContact CB-CG 4.41Å
307	V	88.4	Confident	91.7	Very high	51 Å²	51	42.1 Å²	42.1	31%	0.309	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29	-169.8	168.9	0	0	0	0	113.7	N304 K332	N304-V307 HydrophobicContact CB-CG2 4.38Å; N304-V307 PolarHBondContact O-N 2.84Å; V307-K332 HydrophobicContact CG1-CG 4.28Å
308	L	88.8	Confident	91.6	Very high	81 Å²	81	35.5 Å²	35.5	42%	0.424	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	6.1	-177.2	-64.4	170.6	0	0	0	113.8	F306 E310	F306-L308 PolarHBondContact O-N 2.95Å; F306-L308 VanDerWaalsContact O-N 3.11Å; L308-E310 VanDerWaalsContact C-N 3.34Å; L308-E310 PolarHBondContact O-N 3Å
309	L	91.4	Very high	91.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.222	C	C	.	.			trans	-94.8	53.2	-177.9	-56.4	-177.2	0	0	0	111.6	F282 L285 L288 L291 F306 D311 L312 L333	F282-L309 HydrophobicContact CB-CD1 4.35Å; F282-L309 HydrophobicContact CB-CD2 4.25Å; L285-L309 HydrophobicContact CB-CD2 4.14Å; L285-L309 WeakPolarHBondContact O-CD2 3.38Å; L288-L309 HydrophobicContact CB-CD2 4.37Å; L288-L309 HydrophobicContact CD2-CD1 4.38Å; L288-L309 HydrophobicContact CD2-CD2 4.38Å; L291-L309 HydrophobicContact CD2-CD1 4.28Å; F306-L309 HydrophobicContact CD1-CD1 3.92Å; F306-L309 PolarHBondContact O-N 3.16Å; F306-L309 VanDerWaalsContact O-N 3.09Å; L309-D311 PolarHBondContact O-N 2.84Å; L309-L312 HydrophobicContact CB-CB 4.2Å; L309-L312 HydrophobicContact CB-CD2 4.47Å; L309-L312 HydrophobicContact CD1-CD2 4.33Å; L309-L312 VanDerWaalsContact O-CB 3.31Å; L309-L312 WeakPolarHBondContact O-CB 3.33Å; L309-L312 PolarHBondContact O-N 3.17Å; L309-L333 HydrophobicContact CB-CD2 4.08Å; L309-L333 WeakPolarHBondContact O-CD2 3.36Å
310	E	88.8	Confident	91.7	Very high	118 Å²	118	37.2 Å²	37.2	55%	0.551	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.4	-174	-62.4	-173.8	-170.8	0	0	114.3	L308 K335	L308-E310 VanDerWaalsContact C-N 3.34Å; L308-E310 PolarHBondContact O-N 3Å; E310-K335 WeakPolarHBondContact O-CD 3.16Å; E310-K335 WeakPolarHBondContact O-CG 3.45Å
311	D	90	Very high	91.7	Very high	68 Å²	68	37.6 Å²	37.6	36%	0.364	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	1.1	178.1	-84.6	-17.1	0	0	0	114.4	L288 L309 L313 K335	L288-D311 CarbonylContact O-C 3.47Å; L309-D311 PolarHBondContact O-N 2.84Å; D311-L313 PolarHBondContact O-N 3.38Å; D311-K335 IonicContact OD1-NZ 3.72Å; D311-K335 PolarHBondContact OD1-NZ 2.93Å
312	L	92.5	Very high	91.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.			trans	-67.1	124.7	-176	-160.5	70.6	0	0	0	111.8	L288 L291 L309 L315 L333 K335 L336	L288-L312 HydrophobicContact CB-CD1 4.43Å; L288-L312 HydrophobicContact CD2-CD1 4.23Å; L288-L312 HydrophobicContact CG-CD1 4.1Å; L288-L312 WeakPolarHBondContact O-CA 3.45Å; L288-L312 WeakPolarHBondContact O-CD1 3.38Å; L288-L312 PolarHBondContact O-N 2.9Å; L291-L312 HydrophobicContact CB-CD1 3.99Å; L309-L312 HydrophobicContact CB-CB 4.2Å; L309-L312 HydrophobicContact CB-CD2 4.47Å; L309-L312 HydrophobicContact CD1-CD2 4.33Å; L309-L312 VanDerWaalsContact O-CB 3.31Å; L309-L312 WeakPolarHBondContact O-CB 3.33Å; L309-L312 PolarHBondContact O-N 3.17Å; L312-L315 HydrophobicContact CD2-CB 3.93Å; L312-L315 HydrophobicContact CD2-CD1 4.29Å; L312-L315 HydrophobicContact CD2-CD2 4.44Å; L312-L315 HydrophobicContact CD2-CG 4.45Å; L312-L333 HydrophobicContact CB-CD2 4.16Å; L312-L333 HydrophobicContact CD2-CD1 4.31Å; L312-L333 HydrophobicContact CD2-CD2 3.98Å; L312-K335 CarbonylContact O-C 3.57Å; L312-K335 VanDerWaalsContact O-C 3.3Å; L312-L336 HydrophobicContact CB-CD1 4.44Å; L312-L336 HydrophobicContact CD2-CD1 4.14Å; L312-L336 HydrophobicContact CG-CD1 4.08Å; L312-L336 VanDerWaalsContact O-CA 3.29Å; L312-L336 WeakPolarHBondContact O-CA 3.46Å; L312-L336 PolarHBondContact O-N 3.29Å
313	L	91.8	Very high	91.4	Very high	33 Å²	33	41.3 Å²	41.3	17%	0.173	22%	0.22	C	C	.	.			trans	-102.4	-35.9	179.2	-57.2	-180	0	0	0	111.8	L69 G289 D311 K335 K337 S338	L69-L313 HydrophobicContact CD2-CD1 4.48Å; G289-L313 WeakPolarHBondContact O-CA 3.27Å; G289-L313 WeakPolarHBondContact O-CB 3.39Å; G289-L313 PolarHBondContact O-N 2.98Å; D311-L313 PolarHBondContact O-N 3.38Å; L313-K335 HydrophobicContact CD2-CB 4.23Å; L313-K335 WeakPolarHBondContact CD2-O 3.33Å; L313-K337 WeakPolarHBondContact O-CA 3.48Å; L313-K337 PolarHBondContact O-N 3.28Å; L313-S338 PolarHBondContact O-N 3.27Å
314	Q	92.5	Very high	91.3	Very high	28 Å²	28	44.5 Å²	44.5	13%	0.131	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.9	-179.6	179.6	166.5	-29.3	0	0	111.2	G289 E290 L291 S338	G289-Q314 PolarHBondContact O-N 3.47Å; E290-Q314 WeakPolarHBondContact CA-O 3.03Å; E290-Q314 HydrophobicContact CG-CB 4.27Å; E290-Q314 HydrophobicContact CG-CG 4.43Å; L291-Q314 PolarHBondContact N-O 3.1Å; Q314-S338 WeakPolarHBondContact CA-O 3.41Å
315	L	95.2	Very high	91.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	119.5	174.8	177.7	58.6	0	0	0	109.6	L291 F306 L312 I317 F330 L333 L336 S338 L339 S340	L291-L315 HydrophobicContact CB-CD1 4.14Å; L291-L315 HydrophobicContact CD2-CD1 4Å; L291-L315 HydrophobicContact CG-CD1 4.1Å; F306-L315 HydrophobicContact CD2-CD2 4.25Å; F306-L315 HydrophobicContact CE1-CD1 4.25Å; F306-L315 HydrophobicContact CE2-CD2 3.92Å; F306-L315 HydrophobicContact CZ-CD1 4.17Å; F306-L315 HydrophobicContact CZ-CD2 4.09Å; L312-L315 HydrophobicContact CD2-CB 3.93Å; L312-L315 HydrophobicContact CD2-CD1 4.29Å; L312-L315 HydrophobicContact CD2-CD2 4.44Å; L312-L315 HydrophobicContact CD2-CG 4.45Å; L315-I317 HydrophobicContact CD1-CG2 3.96Å; L315-I317 HydrophobicContact CG-CG2 4.21Å; L315-F330 HydrophobicContact CD2-CD1 4.39Å; L315-F330 HydrophobicContact CD2-CE1 4.08Å; L315-L333 HydrophobicContact CD2-CD1 3.83Å; L315-L336 HydrophobicContact CB-CD1 3.85Å; L315-L336 HydrophobicContact CB-CD2 4.47Å; L315-S338 PolarHBondContact N-O 3.03Å; L315-L339 HydrophobicContact CB-CD1 4.14Å; L315-L339 HydrophobicContact CD2-CD1 4.03Å; L315-L339 HydrophobicContact CG-CD1 4.12Å; L315-L339 WeakPolarHBondContact O-CA 3.34Å; L315-S340 PolarHBondContact O-N 3.45Å
316	N	95.4	Very high	91.1	Very high	20 Å²	20	44.4 Å²	44.4	11%	0.107	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.4	173.7	-174.7	7.6	0	0	0	110	L291 D292 L293 S294 S318 S340	L291-N316 PolarHBondContact O-N 3.3Å; D292-N316 HydrophobicContact CB-CB 4.35Å; D292-N316 VanDerWaalsContact CG-ND2 3.35Å; D292-N316 PolarHBondContact OD1-ND2 2.62Å; D292-N316 WeakPolarHBondContact OD2-CB 3.43Å; D292-N316 PolarHBondContact OD2-ND2 3.37Å; L293-N316 PolarHBondContact N-O 3Å; S294-N316 WeakPolarHBondContact CB-ND2 3.48Å; S294-N316 PolarHBondContact OG-ND2 2.89Å; N316-S318 VanDerWaalsContact OD1-CB 3.32Å; N316-S318 WeakPolarHBondContact OD1-CB 3.47Å; N316-S318 PolarHBondContact OD1-N 3Å; N316-S318 VanDerWaalsContact OD1-N 3.09Å; N316-S318 PolarHBondContact OD1-OG 3.13Å; N316-S340 WeakPolarHBondContact OD1-CB 3.27Å; N316-S340 PolarHBondContact OD1-OG 3.48Å
317	I	95.5	Very high	90.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.			trans	-118.7	7.4	175.2	57.2	169	0	0	0	112	I301 F306 L315 N320 I322 F330 S340 I341 I344	I301-I317 HydrophobicContact CD1-CD1 3.79Å; I301-I317 HydrophobicContact CD1-CG2 4.5Å; F306-I317 HydrophobicContact CZ-CG2 4.44Å; L315-I317 HydrophobicContact CD1-CG2 3.96Å; L315-I317 HydrophobicContact CG-CG2 4.21Å; I317-N320 PolarHBondContact O-ND2 3.49Å; I317-I322 HydrophobicContact CD1-CD1 4.3Å; I317-F330 HydrophobicContact CD1-CZ 4.36Å; I317-S340 VanDerWaalsContact CG1-O 3.31Å; I317-S340 WeakPolarHBondContact CG1-O 3.32Å; I317-S340 PolarHBondContact N-O 3.49Å; I317-I341 HydrophobicContact CD1-CD1 4.49Å; I317-I341 HydrophobicContact CD1-CG1 4.14Å; I317-I341 HydrophobicContact CD1-CG2 4.19Å; I317-I341 HydrophobicContact CG1-CG1 4.16Å; I317-I341 HydrophobicContact CG1-CG2 4.46Å; I317-I344 HydrophobicContact CD1-CD1 4.2Å; I317-I344 HydrophobicContact CG1-CD1 4.06Å; I317-I344 VanDerWaalsContact O-CD1 3.27Å; I317-I344 WeakPolarHBondContact O-CD1 3.33Å
318	S	94.8	Very high	90.8	Very high	5 Å²	5	49.6 Å²	49.6	4%	0.035	25%	0.253	C	S	.	.			trans	-56.6	158.1	-171.8	59.8	0	0	0	0	114.7	S294 N295 N316 N320 S340 E342	S294-S318 CarbonylContact C-O 3.23Å; S294-S318 WeakPolarHBondContact CA-O 3.37Å; S294-S318 WeakPolarHBondContact CB-O 3.36Å; S294-S318 VanDerWaalsContact CB-OG 3.25Å; S294-S318 WeakPolarHBondContact CB-OG 3.48Å; N295-S318 PolarHBondContact N-O 3.23Å; N316-S318 VanDerWaalsContact OD1-CB 3.32Å; N316-S318 WeakPolarHBondContact OD1-CB 3.47Å; N316-S318 PolarHBondContact OD1-N 3Å; N316-S318 VanDerWaalsContact OD1-N 3.09Å; N316-S318 PolarHBondContact OD1-OG 3.13Å; S318-N320 PolarHBondContact O-N 2.97Å; S318-N320 VanDerWaalsContact O-N 3.14Å; S318-N320 PolarHBondContact O-ND2 2.76Å; S318-S340 PolarHBondContact N-O 3.05Å; S318-E342 CarbonylContact C-O 3.45Å; S318-E342 WeakPolarHBondContact CA-O 3.12Å; S318-E342 VanDerWaalsContact CB-O 3.23Å; S318-E342 WeakPolarHBondContact CB-O 3.41Å
319	Y	93.9	Very high	90.8	Very high	116 Å²	116	46.2 Å²	46.2	46%	0.455	24%	0.235	S	C	.	.	S	Bend	trans	53.1	35.8	177.4	-57.4	-80.4	0	0	0	114.1	N295 E342	N295-Y319 WeakPolarHBondContact OD1-CB 3.1Å; N295-Y319 WeakPolarHBondContact OD1-CD2 3.5Å; Y319-E342 HydrophobicContact CE2-CB 4.32Å; Y319-E342 HydrophobicContact CE2-CG 4.12Å; Y319-E342 PolarHBondContact N-O 2.03Å; Y319-E342 PolarHBondContact OH-OE1 3.37Å
320	N	94.6	Very high	90.8	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.032	24%	0.235	C	C	.	.			trans	-104.6	147.5	166.4	-81	-86.1	0	0	0	110.1	L293 N296 R297 L298 I317 S318 I322 I344	L293-N320 PolarHBondContact O-ND2 2.85Å; N296-N320 VanDerWaalsContact CA-OD1 3.27Å; N296-N320 WeakPolarHBondContact CA-OD1 3.33Å; N296-N320 WeakPolarHBondContact CB-OD1 3.19Å; N296-N320 PolarHBondContact N-OD1 3.18Å; N296-N320 PolarHBondContact O-OD1 3.49Å; R297-N320 PolarHBondContact N-OD1 3.21Å; L298-N320 HydrophobicContact CB-CB 4.12Å; L298-N320 WeakPolarHBondContact CB-OD1 3.2Å; L298-N320 WeakPolarHBondContact CG-OD1 3.42Å; L298-N320 PolarHBondContact N-OD1 2.86Å; I317-N320 PolarHBondContact O-ND2 3.49Å; S318-N320 PolarHBondContact O-N 2.97Å; S318-N320 VanDerWaalsContact O-N 3.14Å; S318-N320 PolarHBondContact O-ND2 2.76Å; N320-I322 HydrophobicContact CB-CD1 4.02Å; N320-I322 HydrophobicContact CB-CG1 3.72Å; N320-I322 PolarHBondContact O-N 3.44Å; N320-I344 VanDerWaalsContact O-CG1 3.29Å; N320-I344 WeakPolarHBondContact O-CG1 3.34Å
321	P	92.4	Very high	90.8	Very high	74 Å²	74	42.6 Å²	42.6	48%	0.481	22%	0.219	S	C	.	.			trans	-77.3	48.3	177.5	34.9	-37.9	0	0	0	112.6	L298 V299 V323	L298-P321 CarbonylContact O-C 3.58Å; L298-P321 VanDerWaalsContact O-C 3.23Å; L298-P321 VanDerWaalsContact O-CD 3.26Å; L298-P321 WeakPolarHBondContact O-CD 3.09Å; L298-P321 WeakPolarHBondContact O-CG 3.36Å; V299-P321 WeakPolarHBondContact CA-O 3.22Å; V299-P321 HydrophobicContact CG2-CG 4.46Å; P321-V323 PolarHBondContact O-N 2.99Å
322	I	92.3	Very high	90.7	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.041	22%	0.223	C	C	.	.			trans	-72.5	126.4	-177.8	-56.8	-178.9	0	0	0	109.3	L298 V299 I301 I317 N320 L325 I344	L298-I322 HydrophobicContact CB-CG1 4.39Å; L298-I322 WeakPolarHBondContact O-CG1 3.31Å; L298-I322 PolarHBondContact O-N 3.15Å; V299-I322 WeakPolarHBondContact O-CA 3.27Å; I301-I322 HydrophobicContact CD1-CD1 3.99Å; I301-I322 HydrophobicContact CG1-CD1 3.94Å; I317-I322 HydrophobicContact CD1-CD1 4.3Å; N320-I322 HydrophobicContact CB-CD1 4.02Å; N320-I322 HydrophobicContact CB-CG1 3.72Å; N320-I322 PolarHBondContact O-N 3.44Å; I322-L325 HydrophobicContact CG2-CD2 3.99Å; I322-L325 HydrophobicContact CG2-CG 4.29Å; I322-I344 HydrophobicContact CB-CD1 4.48Å; I322-I344 HydrophobicContact CB-CG1 4.36Å; I322-I344 HydrophobicContact CB-CG2 4.17Å; I322-I344 HydrophobicContact CD1-CD1 3.76Å; I322-I344 HydrophobicContact CD1-CG1 4.49Å; I322-I344 HydrophobicContact CG1-CD1 4.26Å; I322-I344 HydrophobicContact CG1-CG1 4.47Å
323	V	85.8	Confident	90.6	Very high	105 Å²	105	44.3 Å²	44.3	64%	0.636	22%	0.224	S	C	*	.			trans	-90.1	-37.7	-176.7	179.9	0	0	0	0	112.3	V299 P321	V299-V323 HydrophobicContact CG1-CG2 3.99Å; V299-V323 PolarHBondContact O-N 2.79Å; P321-V323 PolarHBondContact O-N 2.99Å
324	E	83.8	Confident	90.4	Very high	116 Å²	116	47.3 Å²	47.3	54%	0.542	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-143	140.9	-177.1	-171.6	167.8	-151.3	0	0	111.3
325	L	88.3	Confident	90.3	Very high	11 Å²	11	50.6 Å²	50.6	6%	0.058	25%	0.25	C	S	.	.			trans	-116.9	128.3	169.9	-68.4	173.8	0	0	0	108.1	I301 I322 I341 I346 M353	I301-L325 HydrophobicContact CD1-CD2 3.68Å; I301-L325 HydrophobicContact CG1-CD2 4.24Å; I322-L325 HydrophobicContact CG2-CD2 3.99Å; I322-L325 HydrophobicContact CG2-CG 4.29Å; L325-I341 HydrophobicContact CD1-CG2 4.18Å; L325-I346 HydrophobicContact CD1-CD1 3.84Å; L325-I346 HydrophobicContact CD1-CG1 4.07Å; L325-M353 HydrophobicContact CB-SD 4.31Å
326	Q	86.3	Confident	90.1	Very high	87 Å²	87	50.6 Å²	50.6	41%	0.407	25%	0.25	S	S	.	.			trans	-80.5	156.9	177.6	-56.8	-170.9	-30.6	0	0	110.8	D328 H329	Q326-D328 WeakPolarHBondContact CB-OD1 3.5Å; Q326-D328 PolarHBondContact O-N 3.27Å; Q326-H329 PolarHBondContact N-CE1 3.32Å; Q326-H329 VanDerWaalsContact N-CE1 3.32Å; Q326-H329 PolarHBondContact N-ND1 3.4Å; Q326-H329 PolarHBondContact O-N 3.41Å
327	L	85.3	Confident	89.9	Confident	74 Å²	74	52.9 Å²	52.9	39%	0.387	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.9	-170.8	-64.1	178.5	0	0	0	113.9	Q350 M353	L327-Q350 HydrophobicContact CD2-CB 4.12Å; L327-Q350 HydrophobicContact CD2-CG 4.22Å; L327-M353 HydrophobicContact CD2-CE 4.23Å; L327-M353 HydrophobicContact CD2-CG 3.79Å; L327-M353 HydrophobicContact CD2-SD 4.27Å
328	D	87.4	Confident	89.7	Confident	90 Å²	90	53 Å²	53	48%	0.481	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-4	-170.3	57.4	-30	0	0	0	114.1	Q326 F330 D331	Q326-D328 WeakPolarHBondContact CB-OD1 3.5Å; Q326-D328 PolarHBondContact O-N 3.27Å; D328-F330 PolarHBondContact O-N 3.41Å; D328-D331 PolarHBondContact O-N 3.45Å; D328-D331 VanDerWaalsContact O-N 3.07Å
329	H	88.6	Confident	89.7	Confident	10 Å²	10	52.8 Å²	52.8	5%	0.046	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.4	179.2	-79.6	174.6	0	0	0	114.1	I301 Q326	I301-H329 PolarHBondContact O-NE2 3.03Å; Q326-H329 PolarHBondContact N-CE1 3.32Å; Q326-H329 VanDerWaalsContact N-CE1 3.32Å; Q326-H329 PolarHBondContact N-ND1 3.4Å; Q326-H329 PolarHBondContact O-N 3.41Å
330	F	90.8	Very high	89.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-0.6	-176.3	-51	-57.8	0	0	0	113.5	F306 L315 I317 D328 K332 L333 L339 I341 F354 L357	F306-F330 HydrophobicContact CE2-CE1 4.4Å; L315-F330 HydrophobicContact CD2-CD1 4.39Å; L315-F330 HydrophobicContact CD2-CE1 4.08Å; I317-F330 HydrophobicContact CD1-CZ 4.36Å; D328-F330 PolarHBondContact O-N 3.41Å; F330-K332 PolarHBondContact O-N 3.38Å; F330-L333 HydrophobicContact CD1-CD1 4.03Å; F330-L333 PolarHBondContact O-N 3.04Å; F330-L339 HydrophobicContact CE1-CD1 4.24Å; F330-I341 HydrophobicContact CE2-CD1 4.14Å; F330-I341 HydrophobicContact CZ-CD1 3.93Å; F330-F354 HydrophobicContact CE2-CE1 4.46Å; F330-L357 HydrophobicContact CB-CD1 4.12Å; F330-L357 HydrophobicContact CB-CD2 4.14Å; F330-L357 HydrophobicContact CB-CG 4.4Å; F330-L357 WeakPolarHBondContact O-CD2 3.27Å
331	D	88.9	Confident	89.6	Confident	43 Å²	43	47.5 Å²	47.5	23%	0.23	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.9	-170.3	-101.2	43.9	0	0	0	113.9	D328 H334 R352 P356	D328-D331 PolarHBondContact O-N 3.45Å; D328-D331 VanDerWaalsContact O-N 3.07Å; D331-H334 PolarHBondContact O-CE1 3.43Å; D331-R352 IonicContact OD1-NH2 2.99Å; D331-R352 IonicContact OD2-NH2 2.66Å; D331-R352 PolarHBondContact OD2-NH2 3.3Å; D331-R352 VanDerWaalsContact OD2-NH2 3.13Å; D331-P356 VanDerWaalsContact OD1-CG 3.29Å; D331-P356 WeakPolarHBondContact OD1-CG 3.46Å
332	K	88.6	Confident	89.5	Confident	103 Å²	103	47.2 Å²	47.2	45%	0.448	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-9.5	-178.7	-61.1	-56	-175.1	-176.9	0	115.1	V307 F330 H334	V307-K332 HydrophobicContact CG1-CG 4.28Å; F330-K332 PolarHBondContact O-N 3.38Å; K332-H334 PolarHBondContact O-N 3.46Å
333	L	90.6	Very high	89.1	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	24%	0.243	C	C	.	.			trans	-82.4	53.1	-175.1	-61.2	-177.6	0	0	0	111.6	F306 L309 L312 L315 F330 K335 L336 L357	F306-L333 HydrophobicContact CB-CD1 4.29Å; F306-L333 HydrophobicContact CB-CD2 4.17Å; F306-L333 HydrophobicContact CB-CG 4.41Å; L309-L333 HydrophobicContact CB-CD2 4.08Å; L309-L333 WeakPolarHBondContact O-CD2 3.36Å; L312-L333 HydrophobicContact CB-CD2 4.16Å; L312-L333 HydrophobicContact CD2-CD1 4.31Å; L312-L333 HydrophobicContact CD2-CD2 3.98Å; L315-L333 HydrophobicContact CD2-CD1 3.83Å; F330-L333 HydrophobicContact CD1-CD1 4.03Å; F330-L333 PolarHBondContact O-N 3.04Å; L333-K335 VanDerWaalsContact C-N 3.26Å; L333-K335 PolarHBondContact O-N 2.77Å; L333-L336 HydrophobicContact CB-CB 4.07Å; L333-L336 HydrophobicContact CB-CD2 4.3Å; L333-L336 HydrophobicContact CD1-CD2 4.16Å; L333-L336 WeakPolarHBondContact O-CB 3.13Å; L333-L336 PolarHBondContact O-N 2.93Å; L333-L336 VanDerWaalsContact O-N 3.12Å; L333-L357 HydrophobicContact CB-CD2 3.92Å; L333-L357 WeakPolarHBondContact O-CD2 3.19Å
334	H	87.8	Confident	89.3	Confident	97 Å²	97	43.3 Å²	43.3	45%	0.449	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28	-170.7	-61.3	-49	0	0	0	113.9	D331 K332 Y359	D331-H334 PolarHBondContact O-CE1 3.43Å; K332-H334 PolarHBondContact O-N 3.46Å; H334-Y359 VanDerWaalsContact O-CD2 3.25Å; H334-Y359 WeakPolarHBondContact O-CD2 3.18Å
335	K	90.1	Very high	89.2	Confident	96 Å²	96	39.9 Å²	39.9	42%	0.417	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	1.4	179.9	-61.1	-176.8	-163.1	165.3	0	113.9	E310 D311 L312 L313 L333 K337	E310-K335 WeakPolarHBondContact O-CD 3.16Å; E310-K335 WeakPolarHBondContact O-CG 3.45Å; D311-K335 IonicContact OD1-NZ 3.72Å; D311-K335 PolarHBondContact OD1-NZ 2.93Å; L312-K335 CarbonylContact O-C 3.57Å; L312-K335 VanDerWaalsContact O-C 3.3Å; L313-K335 HydrophobicContact CD2-CB 4.23Å; L313-K335 WeakPolarHBondContact CD2-O 3.33Å; L333-K335 VanDerWaalsContact C-N 3.26Å; L333-K335 PolarHBondContact O-N 2.77Å; K335-K337 PolarHBondContact O-N 3.33Å
336	L	92.1	Very high	89	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.			trans	-64.2	124.6	-175.5	-162.3	73.7	0	0	0	110.8	L312 L315 L333 L339 L357 Y359 L360	L312-L336 HydrophobicContact CB-CD1 4.44Å; L312-L336 HydrophobicContact CD2-CD1 4.14Å; L312-L336 HydrophobicContact CG-CD1 4.08Å; L312-L336 VanDerWaalsContact O-CA 3.29Å; L312-L336 WeakPolarHBondContact O-CA 3.46Å; L312-L336 PolarHBondContact O-N 3.29Å; L315-L336 HydrophobicContact CB-CD1 3.85Å; L315-L336 HydrophobicContact CB-CD2 4.47Å; L333-L336 HydrophobicContact CB-CB 4.07Å; L333-L336 HydrophobicContact CB-CD2 4.3Å; L333-L336 HydrophobicContact CD1-CD2 4.16Å; L333-L336 WeakPolarHBondContact O-CB 3.13Å; L333-L336 PolarHBondContact O-N 2.93Å; L333-L336 VanDerWaalsContact O-N 3.12Å; L336-L339 HydrophobicContact CD2-CB 3.91Å; L336-L339 HydrophobicContact CD2-CD1 4.23Å; L336-L339 HydrophobicContact CD2-CD2 4.14Å; L336-L339 HydrophobicContact CD2-CG 4.31Å; L336-L357 HydrophobicContact CB-CD2 4.36Å; L336-L357 HydrophobicContact CD2-CD1 4.34Å; L336-L357 HydrophobicContact CD2-CD2 4.26Å; L336-Y359 CarbonylContact O-C 3.09Å; L336-Y359 VanDerWaalsContact O-C 3.26Å; L336-L360 HydrophobicContact CD2-CD1 4.37Å; L336-L360 HydrophobicContact CG-CD1 4.37Å; L336-L360 VanDerWaalsContact O-CA 3.32Å; L336-L360 WeakPolarHBondContact O-CA 3.29Å; L336-L360 PolarHBondContact O-N 3.29Å
337	K	89.9	Confident	88.4	Confident	69 Å²	69	41 Å²	41	30%	0.3	21%	0.206	S	C	.	.			trans	-105.7	-28.9	179.3	-64.9	-170.6	-179.8	-176.4	0	113.1	N64 L313 K335 T361 H362	N64-K337 HydrophobicContact CB-CB 4.01Å; N64-K337 HydrophobicContact CB-CD 4.33Å; N64-K337 WeakPolarHBondContact OD1-CD 3.37Å; L313-K337 WeakPolarHBondContact O-CA 3.48Å; L313-K337 PolarHBondContact O-N 3.28Å; K335-K337 PolarHBondContact O-N 3.33Å; K337-T361 WeakPolarHBondContact O-CA 3.23Å; K337-T361 PolarHBondContact O-N 3.28Å; K337-T361 PolarHBondContact O-OG1 2.79Å; K337-H362 PolarHBondContact O-N 2.63Å
338	S	91.6	Very high	87.9	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.5	176.7	-179.7	0	0	0	0	111.9	D62 L313 Q314 L315 H362	D62-S338 WeakPolarHBondContact OD1-CB 3.35Å; D62-S338 WeakPolarHBondContact OD2-CB 3.26Å; D62-S338 PolarHBondContact OD2-OG 3.47Å; L313-S338 PolarHBondContact O-N 3.27Å; Q314-S338 WeakPolarHBondContact CA-O 3.41Å; L315-S338 PolarHBondContact N-O 3.03Å; S338-H362 WeakPolarHBondContact CA-O 3.09Å
339	L	94.1	Very high	87.8	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	112.8	178.9	179.1	51.8	0	0	0	110.2	L315 F330 L336 I341 F354 L357 L360 H362 I363 Y364	L315-L339 HydrophobicContact CB-CD1 4.14Å; L315-L339 HydrophobicContact CD2-CD1 4.03Å; L315-L339 HydrophobicContact CG-CD1 4.12Å; L315-L339 WeakPolarHBondContact O-CA 3.34Å; F330-L339 HydrophobicContact CE1-CD1 4.24Å; L336-L339 HydrophobicContact CD2-CB 3.91Å; L336-L339 HydrophobicContact CD2-CD1 4.23Å; L336-L339 HydrophobicContact CD2-CD2 4.14Å; L336-L339 HydrophobicContact CD2-CG 4.31Å; L339-I341 HydrophobicContact CD1-CD1 4.05Å; L339-I341 HydrophobicContact CD1-CG1 3.9Å; L339-I341 HydrophobicContact CD2-CD1 3.96Å; L339-I341 HydrophobicContact CG-CD1 3.86Å; L339-I341 HydrophobicContact CG-CG1 3.87Å; L339-F354 HydrophobicContact CD2-CD1 4.35Å; L339-F354 HydrophobicContact CD2-CE1 4.31Å; L339-L357 HydrophobicContact CD2-CD1 3.69Å; L339-L360 HydrophobicContact CB-CD1 3.78Å; L339-L360 HydrophobicContact CB-CD2 4.41Å; L339-L360 HydrophobicContact CD2-CD2 4.5Å; L339-H362 PolarHBondContact N-O 3.27Å; L339-I363 HydrophobicContact CB-CG1 4.36Å; L339-I363 HydrophobicContact CD2-CD1 4.3Å; L339-I363 VanDerWaalsContact O-CA 3.31Å; L339-I363 WeakPolarHBondContact O-CA 3.29Å; L339-Y364 PolarHBondContact O-N 2.66Å
340	S	93.7	Very high	87.5	Confident	12 Å²	12	42.9 Å²	42.9	8%	0.084	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	116.5	175.8	-177.1	0	0	0	0	112.3	L315 N316 I317 S318	L315-S340 PolarHBondContact O-N 3.45Å; N316-S340 WeakPolarHBondContact OD1-CB 3.27Å; N316-S340 PolarHBondContact OD1-OG 3.48Å; I317-S340 VanDerWaalsContact CG1-O 3.31Å; I317-S340 WeakPolarHBondContact CG1-O 3.32Å; I317-S340 PolarHBondContact N-O 3.49Å; S318-S340 PolarHBondContact N-O 3.05Å
341	I	93.2	Very high	87.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	30.6	178	-40.7	-177	0	0	0	108.7	I317 L325 F330 L339 I344 I346 F354 Y364	I317-I341 HydrophobicContact CD1-CD1 4.49Å; I317-I341 HydrophobicContact CD1-CG1 4.14Å; I317-I341 HydrophobicContact CD1-CG2 4.19Å; I317-I341 HydrophobicContact CG1-CG1 4.16Å; I317-I341 HydrophobicContact CG1-CG2 4.46Å; L325-I341 HydrophobicContact CD1-CG2 4.18Å; F330-I341 HydrophobicContact CE2-CD1 4.14Å; F330-I341 HydrophobicContact CZ-CD1 3.93Å; L339-I341 HydrophobicContact CD1-CD1 4.05Å; L339-I341 HydrophobicContact CD1-CG1 3.9Å; L339-I341 HydrophobicContact CD2-CD1 3.96Å; L339-I341 HydrophobicContact CG-CD1 3.86Å; L339-I341 HydrophobicContact CG-CG1 3.87Å; I341-I344 HydrophobicContact CG2-CB 3.86Å; I341-I344 HydrophobicContact CG2-CD1 3.68Å; I341-I344 HydrophobicContact CG2-CG1 4.38Å; I341-I344 HydrophobicContact CG2-CG2 4.03Å; I341-I346 HydrophobicContact CG2-CD1 4.09Å; I341-F354 HydrophobicContact CD1-CE1 4.1Å; I341-Y364 CarbonylContact C-O 3.51Å; I341-Y364 VanDerWaalsContact C-O 3.24Å; I341-Y364 WeakPolarHBondContact CA-O 3.41Å; I341-Y364 PolarHBondContact N-O 2.96Å
342	E	89.9	Confident	87	Confident	68 Å²	68	53.9 Å²	53.9	32%	0.318	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	149.6	176.6	-167.6	174.9	162.8	0	0	111	S318 Y319 I344 Y364	S318-E342 CarbonylContact C-O 3.45Å; S318-E342 WeakPolarHBondContact CA-O 3.12Å; S318-E342 VanDerWaalsContact CB-O 3.23Å; S318-E342 WeakPolarHBondContact CB-O 3.41Å; Y319-E342 HydrophobicContact CE2-CB 4.32Å; Y319-E342 HydrophobicContact CE2-CG 4.12Å; Y319-E342 PolarHBondContact N-O 2.03Å; Y319-E342 PolarHBondContact OH-OE1 3.37Å; E342-I344 PolarHBondContact O-N 3.04Å; E342-Y364 PolarHBondContact N-O 3.06Å
343	G	84.6	Confident	87	Confident	27 Å²	27	49 Å²	49	28%	0.278	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	-15.4	-178.1	0	0	0	0	0	116.3
344	I	89.1	Confident	87	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.015	23%	0.23	C	C	.	.			trans	-86.6	142.3	175.9	-67.3	156.1	0	0	0	110.6	I317 N320 I322 I341 E342 I346 K366	I317-I344 HydrophobicContact CD1-CD1 4.2Å; I317-I344 HydrophobicContact CG1-CD1 4.06Å; I317-I344 VanDerWaalsContact O-CD1 3.27Å; I317-I344 WeakPolarHBondContact O-CD1 3.33Å; N320-I344 VanDerWaalsContact O-CG1 3.29Å; N320-I344 WeakPolarHBondContact O-CG1 3.34Å; I322-I344 HydrophobicContact CB-CD1 4.48Å; I322-I344 HydrophobicContact CB-CG1 4.36Å; I322-I344 HydrophobicContact CB-CG2 4.17Å; I322-I344 HydrophobicContact CD1-CD1 3.76Å; I322-I344 HydrophobicContact CD1-CG1 4.49Å; I322-I344 HydrophobicContact CG1-CD1 4.26Å; I322-I344 HydrophobicContact CG1-CG1 4.47Å; I341-I344 HydrophobicContact CG2-CB 3.86Å; I341-I344 HydrophobicContact CG2-CD1 3.68Å; I341-I344 HydrophobicContact CG2-CG1 4.38Å; I341-I344 HydrophobicContact CG2-CG2 4.03Å; E342-I344 PolarHBondContact O-N 3.04Å; I344-I346 HydrophobicContact CG2-CG1 4.08Å; I344-K366 WeakPolarHBondContact O-CB 3.41Å; I344-K366 WeakPolarHBondContact O-CD 3.44Å
345	E	82.4	Confident	86.9	Confident	45 Å²	45	49.6 Å²	49.6	21%	0.21	23%	0.234	C	C	.	.			trans	-109.1	129.5	176.7	-170.6	155.8	-157.8	0	0	109.9	K366 K367 Q561	E345-K366 HydrophobicContact CB-CD 4.19Å; E345-K366 IonicContact OE2-NZ 3.47Å; E345-K366 PolarHBondContact OE2-NZ 3.3Å; E345-K367 WeakPolarHBondContact OE1-CE 3.4Å; E345-K367 IonicContact OE1-NZ 2.67Å; E345-K367 PolarHBondContact OE1-NZ 2.68Å; E345-Q561 PolarHBondContact OE1-OE1 3.15Å; E345-Q561 PolarHBondContact OE2-NE2 3.43Å; E345-Q561 PolarHBondContact OE2-OE1 3.03Å
346	I	83.1	Confident	86.8	Confident	9 Å²	9	45.7 Å²	45.7	5%	0.046	22%	0.218	C	C	.	.			trans	-121.7	96.7	-171.6	-48.4	169.4	0	0	0	107.6	L325 I341 I344 I349 M353 F365 Y370	L325-I346 HydrophobicContact CD1-CD1 3.84Å; L325-I346 HydrophobicContact CD1-CG1 4.07Å; I341-I346 HydrophobicContact CG2-CD1 4.09Å; I344-I346 HydrophobicContact CG2-CG1 4.08Å; I346-I349 HydrophobicContact CB-CB 4.17Å; I346-I349 HydrophobicContact CD1-CD1 4.37Å; I346-I349 HydrophobicContact CG2-CB 3.85Å; I346-I349 HydrophobicContact CG2-CG1 4.38Å; I346-M353 HydrophobicContact CG2-CE 4.35Å; I346-F365 HydrophobicContact CD1-CE1 4.49Å; I346-Y370 PolarHBondContact N-OH 3.37Å; I346-Y370 PolarHBondContact O-OH 3.44Å
347	D	74.3	Confident	86.6	Confident	112 Å²	112	45.7 Å²	45.7	60%	0.599	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-42.9	-178.4	-75.9	-11.1	0	0	0	111.9	I349	D347-I349 PolarHBondContact O-N 3.28Å
348	N	76.1	Confident	86.4	Confident	106 Å²	106	52.5 Å²	52.5	57%	0.567	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98	41.8	-177.1	-72.1	-35.2	0	0	0	112.7	Q350 M353	N348-Q350 PolarHBondContact O-N 3.36Å; N348-M353 VanDerWaalsContact O-CE 3.31Å; N348-M353 WeakPolarHBondContact O-CE 3.39Å
349	I	83.3	Confident	86.1	Confident	16 Å²	16	60.4 Å²	60.4	8%	0.082	27%	0.273	C	S	.	.			trans	-65.6	130.5	-178.5	-165.6	172.2	0	0	0	112.1	I346 D347 M353 F354 F365 Y370 Y373	I346-I349 HydrophobicContact CB-CB 4.17Å; I346-I349 HydrophobicContact CD1-CD1 4.37Å; I346-I349 HydrophobicContact CG2-CB 3.85Å; I346-I349 HydrophobicContact CG2-CG1 4.38Å; D347-I349 PolarHBondContact O-N 3.28Å; I349-M353 HydrophobicContact CG1-CE 4.38Å; I349-F354 HydrophobicContact CD1-CE2 4.03Å; I349-F354 HydrophobicContact CD1-CZ 4.46Å; I349-F354 HydrophobicContact CG1-CE2 3.99Å; I349-F365 HydrophobicContact CD1-CE1 4.29Å; I349-F365 HydrophobicContact CD1-CZ 4.45Å; I349-Y370 HydrophobicContact CD1-CD1 3.65Å; I349-Y370 HydrophobicContact CD1-CD2 4.29Å; I349-Y370 HydrophobicContact CD1-CE1 4.32Å; I349-Y370 HydrophobicContact CD1-CG 3.63Å; I349-Y370 HydrophobicContact CG2-CD1 4.01Å; I349-Y370 HydrophobicContact CG2-CE1 3.98Å; I349-Y373 HydrophobicContact CD1-CD2 4.08Å; I349-Y373 HydrophobicContact CD1-CG 4.1Å; I349-Y373 HydrophobicContact CG1-CD1 4.2Å; I349-Y373 HydrophobicContact CG1-CD2 4.29Å; I349-Y373 HydrophobicContact CG1-CG 3.97Å; I349-Y373 HydrophobicContact CG2-CD1 4.25Å; I349-Y373 HydrophobicContact CG2-CD2 4.06Å; I349-Y373 HydrophobicContact CG2-CE1 3.93Å; I349-Y373 HydrophobicContact CG2-CE2 3.74Å; I349-Y373 HydrophobicContact CG2-CG 4.3Å; I349-Y373 WeakPolarHBondContact O-CE1 3.33Å
350	Q	83.3	Confident	85.8	Confident	91 Å²	91	60.7 Å²	60.7	43%	0.425	27%	0.274	S	S	.	.			trans	-137.5	145.8	-177.2	-65	-172	17.6	0	0	110.9	L327 N348 R352 M353	L327-Q350 HydrophobicContact CD2-CB 4.12Å; L327-Q350 HydrophobicContact CD2-CG 4.22Å; N348-Q350 PolarHBondContact O-N 3.36Å; Q350-R352 PolarHBondContact O-N 2.67Å; Q350-M353 HydrophobicContact CB-CE 4.28Å; Q350-M353 VanDerWaalsContact N-CE 3.27Å; Q350-M353 PolarHBondContact O-N 3Å
351	R	82.8	Confident	85.3	Confident	163 Å²	163	61.9 Å²	61.9	62%	0.615	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-57.8	-32.3	177.8	-72.1	-178.9	174.9	163.4	2.2	112.8	M353 F354 E355 G372 Y373	R351-M353 PolarHBondContact O-N 3.1Å; R351-F354 PolarHBondContact O-N 3.4Å; R351-E355 PolarHBondContact O-N 3.27Å; R351-E355 VanDerWaalsContact O-N 3.08Å; R351-G372 PolarHBondContact NE-O 3.27Å; R351-G372 PolarHBondContact NH2-O 2.87Å; R351-Y373 HydrophobicContact CG-CD1 4.12Å
352	R	86.6	Confident	84.9	Confident	111 Å²	111	62.3 Å²	62.3	42%	0.419	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-61.2	-26.8	-179.2	179	57.7	-159.1	174.9	5.5	113.5	D331 Q350 F354 E355 P356	D331-R352 IonicContact OD1-NH2 2.99Å; D331-R352 IonicContact OD2-NH2 2.66Å; D331-R352 PolarHBondContact OD2-NH2 3.3Å; D331-R352 VanDerWaalsContact OD2-NH2 3.13Å; Q350-R352 PolarHBondContact O-N 2.67Å; R352-F354 VanDerWaalsContact C-N 3.26Å; R352-F354 PolarHBondContact O-N 2.99Å; R352-E355 VanDerWaalsContact CD-OE2 3.23Å; R352-E355 WeakPolarHBondContact CD-OE2 3.28Å; R352-E355 IonicContact CZ-OE2 2.74Å; R352-E355 IonicContact NE-OE2 2.72Å; R352-E355 IonicContact NH1-OE2 2.88Å; R352-E355 PolarHBondContact NH1-OE2 3.03Å; R352-P356 WeakPolarHBondContact O-CD 3.06Å
353	M	88.8	Confident	84.9	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-66.1	-27.2	177.4	-80.8	-172.2	-84.1	0	0	113.8	L325 L327 I346 N348 I349 Q350 R351	L325-M353 HydrophobicContact CB-SD 4.31Å; L327-M353 HydrophobicContact CD2-CE 4.23Å; L327-M353 HydrophobicContact CD2-CG 3.79Å; L327-M353 HydrophobicContact CD2-SD 4.27Å; I346-M353 HydrophobicContact CG2-CE 4.35Å; N348-M353 VanDerWaalsContact O-CE 3.31Å; N348-M353 WeakPolarHBondContact O-CE 3.39Å; I349-M353 HydrophobicContact CG1-CE 4.38Å; Q350-M353 HydrophobicContact CB-CE 4.28Å; Q350-M353 VanDerWaalsContact N-CE 3.27Å; Q350-M353 PolarHBondContact O-N 3Å; R351-M353 PolarHBondContact O-N 3.1Å
354	F	90.1	Very high	85.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-22.1	-175.3	-50.8	-68.4	0	0	0	112.5	F330 L339 I341 I349 R351 R352 P356 L357 I363 F365 A374 H376	F330-F354 HydrophobicContact CE2-CE1 4.46Å; L339-F354 HydrophobicContact CD2-CD1 4.35Å; L339-F354 HydrophobicContact CD2-CE1 4.31Å; I341-F354 HydrophobicContact CD1-CE1 4.1Å; I349-F354 HydrophobicContact CD1-CE2 4.03Å; I349-F354 HydrophobicContact CD1-CZ 4.46Å; I349-F354 HydrophobicContact CG1-CE2 3.99Å; R351-F354 PolarHBondContact O-N 3.4Å; R352-F354 VanDerWaalsContact C-N 3.26Å; R352-F354 PolarHBondContact O-N 2.99Å; F354-P356 VanDerWaalsContact C-N 3.32Å; F354-L357 HydrophobicContact CD1-CD1 4.34Å; F354-L357 WeakPolarHBondContact O-CB 3.27Å; F354-L357 PolarHBondContact O-N 2.87Å; F354-I363 HydrophobicContact CD1-CD1 3.76Å; F354-I363 HydrophobicContact CE1-CD1 3.83Å; F354-I363 HydrophobicContact CG-CD1 4.41Å; F354-F365 HydrophobicContact CD2-CZ 4.44Å; F354-F365 HydrophobicContact CE1-CE1 4.15Å; F354-F365 HydrophobicContact CE1-CZ 4.06Å; F354-F365 HydrophobicContact CE2-CE1 4.23Å; F354-F365 AromaticContact CE2-CZ 3.86Å; F354-F365 HydrophobicContact CE2-CZ 3.86Å; F354-F365 AromaticContact CZ-CE1 3.65Å; F354-F365 HydrophobicContact CZ-CE1 3.65Å; F354-F365 AromaticContact CZ-CZ 3.65Å; F354-F365 HydrophobicContact CZ-CZ 3.65Å; F354-A374 HydrophobicContact CB-CB 4.07Å; F354-A374 HydrophobicContact CD2-CB 4.31Å; F354-A374 HydrophobicContact CG-CB 4.2Å; F354-H376 PolarHBondContact O-CE1 3.49Å; F354-H376 PolarHBondContact O-NE2 2.83Å
355	E	85.3	Confident	85.2	Confident	111 Å²	111	60.1 Å²	60.1	52%	0.519	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-35.5	176	-178.6	-175.8	-126	0	0	115.9	R351 R352 L357	R351-E355 PolarHBondContact O-N 3.27Å; R351-E355 VanDerWaalsContact O-N 3.08Å; R352-E355 VanDerWaalsContact CD-OE2 3.23Å; R352-E355 WeakPolarHBondContact CD-OE2 3.28Å; R352-E355 IonicContact CZ-OE2 2.74Å; R352-E355 IonicContact NE-OE2 2.72Å; R352-E355 IonicContact NH1-OE2 2.88Å; R352-E355 PolarHBondContact NH1-OE2 3.03Å; E355-L357 VanDerWaalsContact C-N 3.26Å; E355-L357 PolarHBondContact O-N 3.29Å
356	P	87.8	Confident	85.2	Confident	14 Å²	14	61.1 Å²	61.1	9%	0.091	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.1	174.9	-21.1	32.4	0	0	0	114.6	D331 R352 F354 R358	D331-P356 VanDerWaalsContact OD1-CG 3.29Å; D331-P356 WeakPolarHBondContact OD1-CG 3.46Å; R352-P356 WeakPolarHBondContact O-CD 3.06Å; F354-P356 VanDerWaalsContact C-N 3.32Å; P356-R358 VanDerWaalsContact C-N 3.25Å; P356-R358 PolarHBondContact O-N 3.02Å
357	L	89.1	Confident	84.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	27%	0.274	C	S	.	.			trans	-85.7	57.4	-169.5	-56.5	176.7	0	0	0	111.9	F330 L333 L336 L339 F354 E355 Y359 L360	F330-L357 HydrophobicContact CB-CD1 4.12Å; F330-L357 HydrophobicContact CB-CD2 4.14Å; F330-L357 HydrophobicContact CB-CG 4.4Å; F330-L357 WeakPolarHBondContact O-CD2 3.27Å; L333-L357 HydrophobicContact CB-CD2 3.92Å; L333-L357 WeakPolarHBondContact O-CD2 3.19Å; L336-L357 HydrophobicContact CB-CD2 4.36Å; L336-L357 HydrophobicContact CD2-CD1 4.34Å; L336-L357 HydrophobicContact CD2-CD2 4.26Å; L339-L357 HydrophobicContact CD2-CD1 3.69Å; F354-L357 HydrophobicContact CD1-CD1 4.34Å; F354-L357 WeakPolarHBondContact O-CB 3.27Å; F354-L357 PolarHBondContact O-N 2.87Å; E355-L357 VanDerWaalsContact C-N 3.26Å; E355-L357 PolarHBondContact O-N 3.29Å; L357-Y359 PolarHBondContact O-N 3.36Å; L357-L360 HydrophobicContact CB-CB 3.94Å; L357-L360 HydrophobicContact CB-CD2 4.12Å; L357-L360 HydrophobicContact CD1-CD2 3.93Å; L357-L360 WeakPolarHBondContact O-CB 3.29Å; L357-L360 PolarHBondContact O-N 2.99Å
358	R	84.6	Confident	84.7	Confident	212 Å²	212	58.2 Å²	58.2	80%	0.8	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22	-170.6	-64.2	-176.9	179.7	-174.8	-1.1	115.9	P356	P356-R358 VanDerWaalsContact C-N 3.25Å; P356-R358 PolarHBondContact O-N 3.02Å
359	Y	86.6	Confident	84.5	Confident	169 Å²	169	55.3 Å²	55.3	66%	0.663	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	9.4	-179.8	-66.4	-84.7	0	0	0	113.2	H334 L336 L357 T361	H334-Y359 VanDerWaalsContact O-CD2 3.25Å; H334-Y359 WeakPolarHBondContact O-CD2 3.18Å; L336-Y359 CarbonylContact O-C 3.09Å; L336-Y359 VanDerWaalsContact O-C 3.26Å; L357-Y359 PolarHBondContact O-N 3.36Å; Y359-T361 PolarHBondContact O-N 2.82Å
360	L	86.8	Confident	84.4	Confident	6 Å²	6	54.9 Å²	54.9	3%	0.031	23%	0.229	C	C	.	.			trans	-69.9	115.3	-178.1	-169.6	65	0	0	0	110.9	L336 L339 L357 H362 I363 V377	L336-L360 HydrophobicContact CD2-CD1 4.37Å; L336-L360 HydrophobicContact CG-CD1 4.37Å; L336-L360 VanDerWaalsContact O-CA 3.32Å; L336-L360 WeakPolarHBondContact O-CA 3.29Å; L336-L360 PolarHBondContact O-N 3.29Å; L339-L360 HydrophobicContact CB-CD1 3.78Å; L339-L360 HydrophobicContact CB-CD2 4.41Å; L339-L360 HydrophobicContact CD2-CD2 4.5Å; L357-L360 HydrophobicContact CB-CB 3.94Å; L357-L360 HydrophobicContact CB-CD2 4.12Å; L357-L360 HydrophobicContact CD1-CD2 3.93Å; L357-L360 WeakPolarHBondContact O-CB 3.29Å; L357-L360 PolarHBondContact O-N 2.99Å; L360-H362 WeakPolarHBondContact CD1-O 3.45Å; L360-I363 HydrophobicContact CD2-CB 4.25Å; L360-I363 HydrophobicContact CD2-CD1 4.02Å; L360-I363 HydrophobicContact CD2-CG1 4.49Å; L360-V377 HydrophobicContact CB-CG2 4.22Å; L360-V377 HydrophobicContact CD2-CG2 3.73Å; L360-V377 HydrophobicContact CG-CG1 4.19Å; L360-V377 HydrophobicContact CG-CG2 3.99Å
361	T	83.1	Confident	84.2	Confident	36 Å²	36	50.6 Å²	50.6	22%	0.221	21%	0.21	C	C	.	.			trans	-96.8	-35.2	179.7	65.3	0	0	0	0	112.3	N64 K337 Y359 V377 R378 S379	N64-T361 PolarHBondContact ND2-OG1 3.15Å; K337-T361 WeakPolarHBondContact O-CA 3.23Å; K337-T361 PolarHBondContact O-N 3.28Å; K337-T361 PolarHBondContact O-OG1 2.79Å; Y359-T361 PolarHBondContact O-N 2.82Å; T361-V377 WeakPolarHBondContact O-CG1 3.14Å; T361-R378 CarbonylContact O-C 3.52Å; T361-R378 WeakPolarHBondContact O-CB 3.21Å; T361-R378 PolarHBondContact O-N 2.98Å; T361-S379 PolarHBondContact O-N 3.48Å
362	H	86	Confident	83.7	Confident	9 Å²	9	43.6 Å²	43.6	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.2	-174.6	-72.6	80.1	0	0	0	110.4	K337 S338 L339 L360 Y364 S379	K337-H362 PolarHBondContact O-N 2.63Å; S338-H362 WeakPolarHBondContact CA-O 3.09Å; L339-H362 PolarHBondContact N-O 3.27Å; L360-H362 WeakPolarHBondContact CD1-O 3.45Å; H362-Y364 HydrophobicContact CB-CE2 3.97Å; H362-S379 CarbonylContact C-O 3.08Å; H362-S379 WeakPolarHBondContact CA-O 3.33Å; H362-S379 VanDerWaalsContact CD2-CB 3.49Å; H362-S379 WeakPolarHBondContact CD2-CB 3.45Å
363	I	89.3	Confident	83.4	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.7	170.1	-164.2	166.5	0	0	0	111.2	L339 F354 L360 F365 A374 V377 S379 C380 K381	L339-I363 HydrophobicContact CB-CG1 4.36Å; L339-I363 HydrophobicContact CD2-CD1 4.3Å; L339-I363 VanDerWaalsContact O-CA 3.31Å; L339-I363 WeakPolarHBondContact O-CA 3.29Å; F354-I363 HydrophobicContact CD1-CD1 3.76Å; F354-I363 HydrophobicContact CE1-CD1 3.83Å; F354-I363 HydrophobicContact CG-CD1 4.41Å; L360-I363 HydrophobicContact CD2-CB 4.25Å; L360-I363 HydrophobicContact CD2-CD1 4.02Å; L360-I363 HydrophobicContact CD2-CG1 4.49Å; I363-F365 HydrophobicContact CD1-CE1 3.88Å; I363-F365 HydrophobicContact CD1-CE2 3.63Å; I363-F365 HydrophobicContact CD1-CZ 3.26Å; I363-F365 HydrophobicContact CG1-CD2 4.36Å; I363-F365 HydrophobicContact CG1-CE1 4.3Å; I363-F365 HydrophobicContact CG1-CE2 3.92Å; I363-F365 HydrophobicContact CG1-CZ 3.9Å; I363-F365 HydrophobicContact CG2-CD2 4.32Å; I363-F365 HydrophobicContact CG2-CE2 3.95Å; I363-A374 HydrophobicContact CD1-CB 4.36Å; I363-V377 HydrophobicContact CB-CG1 4.13Å; I363-V377 HydrophobicContact CG2-CB 4.18Å; I363-V377 HydrophobicContact CG2-CG1 3.8Å; I363-V377 HydrophobicContact CG2-CG2 4.27Å; I363-S379 PolarHBondContact N-O 3.03Å; I363-C380 HydrophobicContact CG2-CB 3.9Å; I363-C380 VanDerWaalsContact CG2-SG 3.53Å; I363-C380 WeakPolarHBondContact O-CA 3.36Å; I363-K381 PolarHBondContact O-N 2.95Å
364	Y	89.8	Confident	83.1	Confident	48 Å²	48	40.8 Å²	40.8	19%	0.188	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.2	-180	-55.3	-102.6	0	0	0	109.2	D62 L339 I341 E342 H362 K381	D62-Y364 VanDerWaalsContact CB-OH 3.23Å; D62-Y364 WeakPolarHBondContact CB-OH 3.45Å; L339-Y364 PolarHBondContact O-N 2.66Å; I341-Y364 CarbonylContact C-O 3.51Å; I341-Y364 VanDerWaalsContact C-O 3.24Å; I341-Y364 WeakPolarHBondContact CA-O 3.41Å; I341-Y364 PolarHBondContact N-O 2.96Å; E342-Y364 PolarHBondContact N-O 3.06Å; H362-Y364 HydrophobicContact CB-CE2 3.97Å; Y364-K381 HydrophobicContact CD1-CB 3.66Å; Y364-K381 HydrophobicContact CD1-CG 3.68Å; Y364-K381 HydrophobicContact CE1-CB 4.17Å; Y364-K381 HydrophobicContact CE1-CG 3.64Å; Y364-K381 HydrophobicContact CG-CB 4.36Å
365	F	89.1	Confident	82.2	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.013	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	160.5	-178.8	-75.7	-56.6	0	0	0	111.2	I346 I349 F354 I363 Y370 A374 K381 P382	I346-F365 HydrophobicContact CD1-CE1 4.49Å; I349-F365 HydrophobicContact CD1-CE1 4.29Å; I349-F365 HydrophobicContact CD1-CZ 4.45Å; F354-F365 HydrophobicContact CD2-CZ 4.44Å; F354-F365 HydrophobicContact CE1-CE1 4.15Å; F354-F365 HydrophobicContact CE1-CZ 4.06Å; F354-F365 HydrophobicContact CE2-CE1 4.23Å; F354-F365 AromaticContact CE2-CZ 3.86Å; F354-F365 HydrophobicContact CE2-CZ 3.86Å; F354-F365 AromaticContact CZ-CE1 3.65Å; F354-F365 HydrophobicContact CZ-CE1 3.65Å; F354-F365 AromaticContact CZ-CZ 3.65Å; F354-F365 HydrophobicContact CZ-CZ 3.65Å; I363-F365 HydrophobicContact CD1-CE1 3.88Å; I363-F365 HydrophobicContact CD1-CE2 3.63Å; I363-F365 HydrophobicContact CD1-CZ 3.26Å; I363-F365 HydrophobicContact CG1-CD2 4.36Å; I363-F365 HydrophobicContact CG1-CE1 4.3Å; I363-F365 HydrophobicContact CG1-CE2 3.92Å; I363-F365 HydrophobicContact CG1-CZ 3.9Å; I363-F365 HydrophobicContact CG2-CD2 4.32Å; I363-F365 HydrophobicContact CG2-CE2 3.95Å; F365-Y370 HydrophobicContact CB-CD2 4.06Å; F365-Y370 HydrophobicContact CD1-CD2 4.06Å; F365-Y370 HydrophobicContact CD1-CG 4.41Å; F365-Y370 WeakPolarHBondContact CE2-O 3.27Å; F365-Y370 HydrophobicContact CG-CD2 4.2Å; F365-Y370 HydrophobicContact CG-CG 4.39Å; F365-A374 HydrophobicContact CE2-CB 4.43Å; F365-K381 PolarHBondContact N-O 2.88Å; F365-P382 WeakPolarHBondContact O-CD 3.43Å
366	K	82.7	Confident	81.7	Confident	67 Å²	67	42 Å²	42	29%	0.291	19%	0.19	S	C	.	.	S	Bend	trans	-68.8	-39.1	170	-173.6	-175.5	-175.4	-179.7	0	113.5	I344 E345 Q561	I344-K366 WeakPolarHBondContact O-CB 3.41Å; I344-K366 WeakPolarHBondContact O-CD 3.44Å; E345-K366 HydrophobicContact CB-CD 4.19Å; E345-K366 IonicContact OE2-NZ 3.47Å; E345-K366 PolarHBondContact OE2-NZ 3.3Å; K366-Q561 VanDerWaalsContact NZ-CD 3.28Å
367	K	76.2	Confident	81.2	Confident	44 Å²	44	41.7 Å²	41.7	19%	0.191	19%	0.187	C	C	.	.	S	Bend	trans	-120	135.7	-173.8	-58.2	-176.5	-174.4	173.3	0	111	E345 Q369 Y370	E345-K367 WeakPolarHBondContact OE1-CE 3.4Å; E345-K367 IonicContact OE1-NZ 2.67Å; E345-K367 PolarHBondContact OE1-NZ 2.68Å; K367-Q369 HydrophobicContact CB-CG 4.03Å; K367-Q369 PolarHBondContact O-N 2.82Å; K367-Y370 HydrophobicContact CB-CD1 4.47Å; K367-Y370 HydrophobicContact CB-CD2 4Å; K367-Y370 HydrophobicContact CB-CE1 4.49Å; K367-Y370 HydrophobicContact CB-CE2 3.98Å; K367-Y370 HydrophobicContact CB-CG 4.25Å; K367-Y370 HydrophobicContact CD-CE1 4.32Å; K367-Y370 HydrophobicContact CD-CE2 4.22Å; K367-Y370 HydrophobicContact CG-CE2 4.03Å; K367-Y370 WeakPolarHBondContact O-CB 3.35Å; K367-Y370 PolarHBondContact O-N 2.97Å
368	F	72.1	Confident	80.2	Confident	15 Å²	15	43.8 Å²	43.8	7%	0.066	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-50.1	-42.2	176.2	169.3	-103.2	0	0	0	112.9	Y370 C371 P382 N383 D385 S389 Y463	F368-Y370 PolarHBondContact O-N 3.24Å; F368-Y370 VanDerWaalsContact O-N 3.09Å; F368-C371 WeakPolarHBondContact O-CB 3.45Å; F368-C371 PolarHBondContact O-N 3.47Å; F368-C371 VanDerWaalsContact O-N 3.08Å; F368-P382 HydrophobicContact CB-CG 4.23Å; F368-P382 WeakPolarHBondContact CD2-O 3.32Å; F368-N383 WeakPolarHBondContact CE2-O 3.32Å; F368-D385 HydrophobicContact CB-CB 4.45Å; F368-S389 WeakPolarHBondContact CZ-O 3.38Å; F368-Y463 HydrophobicContact CE1-CE1 4.29Å
369	Q	71.4	Confident	79.7	Confident	45 Å²	45	34.7 Å²	34.7	21%	0.21	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-58.6	-24.2	-179.6	73.3	-168	20.5	0	0	114.5	K367 C371 G372 M471	K367-Q369 HydrophobicContact CB-CG 4.03Å; K367-Q369 PolarHBondContact O-N 2.82Å; Q369-C371 PolarHBondContact O-N 2.86Å; Q369-G372 PolarHBondContact O-N 3.26Å; Q369-G372 VanDerWaalsContact O-N 3.16Å; Q369-M471 HydrophobicContact CB-CE 4.11Å
370	Y	81.8	Confident	79.4	Confident	7 Å²	7	27.2 Å²	27.2	3%	0.027	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-67.9	-22.7	179.2	-63.4	-20.8	0	0	0	112.3	I346 I349 F365 K367 F368 G372 Y373	I346-Y370 PolarHBondContact N-OH 3.37Å; I346-Y370 PolarHBondContact O-OH 3.44Å; I349-Y370 HydrophobicContact CD1-CD1 3.65Å; I349-Y370 HydrophobicContact CD1-CD2 4.29Å; I349-Y370 HydrophobicContact CD1-CE1 4.32Å; I349-Y370 HydrophobicContact CD1-CG 3.63Å; I349-Y370 HydrophobicContact CG2-CD1 4.01Å; I349-Y370 HydrophobicContact CG2-CE1 3.98Å; F365-Y370 HydrophobicContact CB-CD2 4.06Å; F365-Y370 HydrophobicContact CD1-CD2 4.06Å; F365-Y370 HydrophobicContact CD1-CG 4.41Å; F365-Y370 WeakPolarHBondContact CE2-O 3.27Å; F365-Y370 HydrophobicContact CG-CD2 4.2Å; F365-Y370 HydrophobicContact CG-CG 4.39Å; K367-Y370 HydrophobicContact CB-CD1 4.47Å; K367-Y370 HydrophobicContact CB-CD2 4Å; K367-Y370 HydrophobicContact CB-CE1 4.49Å; K367-Y370 HydrophobicContact CB-CE2 3.98Å; K367-Y370 HydrophobicContact CB-CG 4.25Å; K367-Y370 HydrophobicContact CD-CE1 4.32Å; K367-Y370 HydrophobicContact CD-CE2 4.22Å; K367-Y370 HydrophobicContact CG-CE2 4.03Å; K367-Y370 WeakPolarHBondContact O-CB 3.35Å; K367-Y370 PolarHBondContact O-N 2.97Å; F368-Y370 PolarHBondContact O-N 3.24Å; F368-Y370 VanDerWaalsContact O-N 3.09Å; Y370-G372 PolarHBondContact O-N 3.37Å; Y370-Y373 WeakPolarHBondContact O-CB 3.35Å; Y370-Y373 PolarHBondContact O-N 3.24Å
371	C	78.3	Confident	78.9	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.014	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-58.6	-28	171.7	-65.2	0	0	0	0	113.2	F368 Q369 Y373 A374 C380	F368-C371 WeakPolarHBondContact O-CB 3.45Å; F368-C371 PolarHBondContact O-N 3.47Å; F368-C371 VanDerWaalsContact O-N 3.08Å; Q369-C371 PolarHBondContact O-N 2.86Å; C371-Y373 PolarHBondContact O-N 2.96Å; C371-Y373 VanDerWaalsContact O-N 3.13Å; C371-A374 PolarHBondContact O-N 3.16Å; C371-C380 WeakPolarHBondContact CA-SG 3.3Å; C371-C380 HydrophobicContact CB-CB 3.86Å; C371-C380 WeakPolarHBondContact CB-SG 3.1Å; C371-C380 WeakPolarHBondContact SG-CB 3.21Å; C371-C380 CovalentContact SG-SG 2.03Å; C371-C380 PolarHBondContact SG-SG 2.93Å
372	G	72.6	Confident	78.4	Confident	16 Å²	16	30.8 Å²	30.8	17%	0.165	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-65.8	-10	174.8	0	0	0	0	0	115	R351 Q369 Y370	R351-G372 PolarHBondContact NE-O 3.27Å; R351-G372 PolarHBondContact NH2-O 2.87Å; Q369-G372 PolarHBondContact O-N 3.26Å; Q369-G372 VanDerWaalsContact O-N 3.16Å; Y370-G372 PolarHBondContact O-N 3.37Å
373	Y	80.7	Confident	77.2	Confident	49 Å²	49	34.6 Å²	34.6	19%	0.192	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-96.7	-14	176.7	-64.7	-96.2	0	0	0	113.4	I349 R351 Y370 C371 P375	I349-Y373 HydrophobicContact CD1-CD2 4.08Å; I349-Y373 HydrophobicContact CD1-CG 4.1Å; I349-Y373 HydrophobicContact CG1-CD1 4.2Å; I349-Y373 HydrophobicContact CG1-CD2 4.29Å; I349-Y373 HydrophobicContact CG1-CG 3.97Å; I349-Y373 HydrophobicContact CG2-CD1 4.25Å; I349-Y373 HydrophobicContact CG2-CD2 4.06Å; I349-Y373 HydrophobicContact CG2-CE1 3.93Å; I349-Y373 HydrophobicContact CG2-CE2 3.74Å; I349-Y373 HydrophobicContact CG2-CG 4.3Å; I349-Y373 WeakPolarHBondContact O-CE1 3.33Å; R351-Y373 HydrophobicContact CG-CD1 4.12Å; Y370-Y373 WeakPolarHBondContact O-CB 3.35Å; Y370-Y373 PolarHBondContact O-N 3.24Å; C371-Y373 PolarHBondContact O-N 2.96Å; C371-Y373 VanDerWaalsContact O-N 3.13Å; Y373-P375 VanDerWaalsContact C-CD 3.41Å; Y373-P375 WeakPolarHBondContact O-CD 3.19Å
374	A	81.9	Confident	76	Confident	3 Å²	3	37.5 Å²	37.5	3%	0.025	19%	0.192	C	C	.	.			trans	-125.6	57.4	179.9	0	0	0	0	0	112.5	F354 I363 F365 C371 H376 V377	F354-A374 HydrophobicContact CB-CB 4.07Å; F354-A374 HydrophobicContact CD2-CB 4.31Å; F354-A374 HydrophobicContact CG-CB 4.2Å; I363-A374 HydrophobicContact CD1-CB 4.36Å; F365-A374 HydrophobicContact CE2-CB 4.43Å; C371-A374 PolarHBondContact O-N 3.16Å; A374-H376 PolarHBondContact O-N 2.76Å; A374-V377 HydrophobicContact CB-CG2 3.86Å; A374-V377 PolarHBondContact O-N 3.4Å
375	P	71.1	Confident	74.8	Confident	60 Å²	60	37.5 Å²	37.5	39%	0.39	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-3	-170.1	32.1	-39.2	0	0	0	115.4	Y373	Y373-P375 VanDerWaalsContact C-CD 3.41Å; Y373-P375 WeakPolarHBondContact O-CD 3.19Å
376	H	75.3	Confident	73.5	Confident	77 Å²	77	38.3 Å²	38.3	36%	0.356	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-5.4	177.5	61.1	-93	0	0	0	113.1	F354 A374	F354-H376 PolarHBondContact O-CE1 3.49Å; F354-H376 PolarHBondContact O-NE2 2.83Å; A374-H376 PolarHBondContact O-N 2.76Å
377	V	76.8	Confident	72.7	Confident	6 Å²	6	35.3 Å²	35.3	4%	0.036	19%	0.191	C	C	.	.			trans	-87.2	131.8	-173.1	-175.5	0	0	0	0	111.1	Q41 L360 T361 I363 A374 S379	Q41-V377 PolarHBondContact NE2-O 2.86Å; Q41-V377 VanDerWaalsContact NE2-O 3.15Å; L360-V377 HydrophobicContact CB-CG2 4.22Å; L360-V377 HydrophobicContact CD2-CG2 3.73Å; L360-V377 HydrophobicContact CG-CG1 4.19Å; L360-V377 HydrophobicContact CG-CG2 3.99Å; T361-V377 WeakPolarHBondContact O-CG1 3.14Å; I363-V377 HydrophobicContact CB-CG1 4.13Å; I363-V377 HydrophobicContact CG2-CB 4.18Å; I363-V377 HydrophobicContact CG2-CG1 3.8Å; I363-V377 HydrophobicContact CG2-CG2 4.27Å; A374-V377 HydrophobicContact CB-CG2 3.86Å; A374-V377 PolarHBondContact O-N 3.4Å; V377-S379 VanDerWaalsContact C-N 3.32Å; V377-S379 WeakPolarHBondContact CG1-O 3.24Å; V377-S379 PolarHBondContact O-N 3.24Å
378	R	68	Low	72.4	Confident	44 Å²	44	33.2 Å²	33.2	17%	0.166	18%	0.182	C	C	.	.	S	Bend	trans	-64.7	-29	-175.6	-167.7	-173.3	-167.3	-153.5	4.4	113.7	F30 Q41 H44 A55 E58 T361	F30-R378 HydrophobicContact CD2-CG 4.09Å; F30-R378 HydrophobicContact CE2-CG 4.44Å; F30-R378 VanDerWaalsContact CZ-CZ 3.42Å; Q41-R378 PolarHBondContact NE2-O 3.23Å; H44-R378 PolarHBondContact CE1-NH1 3.47Å; H44-R378 PolarHBondContact CE1-NH2 3.44Å; H44-R378 PolarHBondContact NE2-NE 3.36Å; H44-R378 PolarHBondContact NE2-NH1 2.87Å; H44-R378 PolarHBondContact NE2-NH2 3.03Å; A55-R378 PolarHBondContact O-NH2 3.23Å; E58-R378 PolarHBondContact O-NH1 3.39Å; T361-R378 CarbonylContact O-C 3.52Å; T361-R378 WeakPolarHBondContact O-CB 3.21Å; T361-R378 PolarHBondContact O-N 2.98Å
379	S	74.3	Confident	72.3	Confident	22 Å²	22	34 Å²	34	15%	0.154	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	117.3	-178.1	-174.1	0	0	0	0	109.9	T361 H362 I363 V377	T361-S379 PolarHBondContact O-N 3.48Å; H362-S379 CarbonylContact C-O 3.08Å; H362-S379 WeakPolarHBondContact CA-O 3.33Å; H362-S379 VanDerWaalsContact CD2-CB 3.49Å; H362-S379 WeakPolarHBondContact CD2-CB 3.45Å; I363-S379 PolarHBondContact N-O 3.03Å; V377-S379 VanDerWaalsContact C-N 3.32Å; V377-S379 WeakPolarHBondContact CG1-O 3.24Å; V377-S379 PolarHBondContact O-N 3.24Å
380	C	80.4	Confident	72	Confident	12 Å²	12	35 Å²	35	8%	0.081	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.1	176.9	-169.8	0	0	0	0	110.6	I363 C371 N383	I363-C380 HydrophobicContact CG2-CB 3.9Å; I363-C380 VanDerWaalsContact CG2-SG 3.53Å; I363-C380 WeakPolarHBondContact O-CA 3.36Å; C371-C380 WeakPolarHBondContact CA-SG 3.3Å; C371-C380 HydrophobicContact CB-CB 3.86Å; C371-C380 WeakPolarHBondContact CB-SG 3.1Å; C371-C380 WeakPolarHBondContact SG-CB 3.21Å; C371-C380 CovalentContact SG-SG 2.03Å; C371-C380 PolarHBondContact SG-SG 2.93Å; C380-N383 PolarHBondContact O-OD1 3.41Å
381	K	76.1	Confident	71.3	Confident	73 Å²	73	37 Å²	37	32%	0.317	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146	179.1	-58.9	-63.9	171.8	-171.8	0	111	I363 Y364 F365 N383	I363-K381 PolarHBondContact O-N 2.95Å; Y364-K381 HydrophobicContact CD1-CB 3.66Å; Y364-K381 HydrophobicContact CD1-CG 3.68Å; Y364-K381 HydrophobicContact CE1-CB 4.17Å; Y364-K381 HydrophobicContact CE1-CG 3.64Å; Y364-K381 HydrophobicContact CG-CB 4.36Å; F365-K381 PolarHBondContact N-O 2.88Å; K381-N383 VanDerWaalsContact CD-OD1 3.23Å; K381-N383 WeakPolarHBondContact CD-OD1 3.23Å; K381-N383 WeakPolarHBondContact CE-OD1 3.29Å; K381-N383 PolarHBondContact NZ-OD1 2.92Å
382	P	71.6	Confident	71.4	Confident	43 Å²	43	37.7 Å²	37.7	28%	0.279	21%	0.206	S	C	.	.			cis	-72.5	154.2	-3.4	31	-37.4	0	0	0	112.8	F365 F368 T384	F365-P382 WeakPolarHBondContact O-CD 3.43Å; F368-P382 HydrophobicContact CB-CG 4.23Å; F368-P382 WeakPolarHBondContact CD2-O 3.32Å; P382-T384 VanDerWaalsContact C-N 3.28Å; P382-T384 PolarHBondContact O-N 3.39Å
383	N	62.6	Low	71.9	Confident	90 Å²	90	37 Å²	37	48%	0.481	20%	0.198	S	C	.	.	S	Bend	trans	-75.3	-12.7	179	-79.3	27.1	0	0	0	114	F368 C380 K381	F368-N383 WeakPolarHBondContact CE2-O 3.32Å; C380-N383 PolarHBondContact O-OD1 3.41Å; K381-N383 VanDerWaalsContact CD-OD1 3.23Å; K381-N383 WeakPolarHBondContact CD-OD1 3.23Å; K381-N383 WeakPolarHBondContact CE-OD1 3.29Å; K381-N383 PolarHBondContact NZ-OD1 2.92Å
384	T	62.3	Low	72	Confident	62 Å²	62	34.7 Å²	34.7	38%	0.38	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-161.1	150.5	-168.9	179.8	0	0	0	0	110.3	P382 G386 S388	P382-T384 VanDerWaalsContact C-N 3.28Å; P382-T384 PolarHBondContact O-N 3.39Å; T384-G386 VanDerWaalsContact C-N 3.28Å; T384-G386 WeakPolarHBondContact OG1-CA 3.31Å; T384-G386 PolarHBondContact OG1-N 2.92Å; T384-S388 WeakPolarHBondContact CA-O 3.19Å; T384-S388 VanDerWaalsContact CB-O 3.27Å; T384-S388 WeakPolarHBondContact CB-O 3.4Å; T384-S388 PolarHBondContact OG1-O 3.07Å
385	D	64.9	Low	71.8	Confident	48 Å²	48	36.6 Å²	36.6	26%	0.257	21%	0.205	S	C	.	.	S	Bend	trans	-89.4	7.9	165.2	68.1	-13.9	0	0	0	112.3	F368 I387 S388 G650	F368-D385 HydrophobicContact CB-CB 4.45Å; D385-I387 VanDerWaalsContact C-N 3.33Å; D385-I387 WeakPolarHBondContact OD1-CA 3.45Å; D385-I387 WeakPolarHBondContact OD1-CB 3.47Å; D385-I387 PolarHBondContact OD1-N 3.36Å; D385-S388 PolarHBondContact OD1-N 3.41Å; D385-G650 WeakPolarHBondContact O-CA 3.36Å
386	G	61.8	Low	72.3	Confident	19 Å²	19	36.7 Å²	36.7	20%	0.196	20%	0.202	C	C	.	.	S	Bend	trans	85.2	-1.3	-172.1	0	0	0	0	0	114.5	T384 T651	T384-G386 VanDerWaalsContact C-N 3.28Å; T384-G386 WeakPolarHBondContact OG1-CA 3.31Å; T384-G386 PolarHBondContact OG1-N 2.92Å; G386-T651 VanDerWaalsContact O-CA 3.25Å; G386-T651 WeakPolarHBondContact O-CA 3.44Å; G386-T651 WeakPolarHBondContact O-CG2 3.42Å
387	I	66.7	Low	72.8	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.026	21%	0.212	C	C	.	.	S	Bend	trans	-123.8	-55.6	-177.7	-37.9	-178.7	0	0	0	110	D385 L394 A395 N551 V553	D385-I387 VanDerWaalsContact C-N 3.33Å; D385-I387 WeakPolarHBondContact OD1-CA 3.45Å; D385-I387 WeakPolarHBondContact OD1-CB 3.47Å; D385-I387 PolarHBondContact OD1-N 3.36Å; I387-L394 HydrophobicContact CG2-CD2 4.15Å; I387-A395 PolarHBondContact O-N 3.21Å; I387-N551 HydrophobicContact CD1-CB 4.47Å; I387-V553 HydrophobicContact CG2-CG2 3.6Å
388	S	68.9	Low	73.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.233	C	C	.	.			trans	-98	150.6	177.7	-54.8	0	0	0	0	110.9	T384 D385 D392 L393 Y463	T384-S388 WeakPolarHBondContact CA-O 3.19Å; T384-S388 VanDerWaalsContact CB-O 3.27Å; T384-S388 WeakPolarHBondContact CB-O 3.4Å; T384-S388 PolarHBondContact OG1-O 3.07Å; D385-S388 PolarHBondContact OD1-N 3.41Å; S388-D392 CarbonylContact C-O 3.57Å; S388-D392 VanDerWaalsContact CA-O 3.29Å; S388-D392 WeakPolarHBondContact CA-O 3.35Å; S388-D392 WeakPolarHBondContact CB-O 3.41Å; S388-L393 VanDerWaalsContact CA-O 3.24Å; S388-L393 WeakPolarHBondContact CA-O 3.4Å; S388-L393 WeakPolarHBondContact CB-O 3.39Å; S388-L393 PolarHBondContact OG-O 3.45Å; S388-Y463 VanDerWaalsContact CB-CE1 3.44Å; S388-Y463 WeakPolarHBondContact OG-CE1 3.44Å
389	S	70.2	Confident	74.1	Confident	30 Å²	30	39.8 Å²	39.8	21%	0.21	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-101.8	180	164	67.5	0	0	0	0	109.4	F368 E391 D392	F368-S389 WeakPolarHBondContact CZ-O 3.38Å; S389-E391 PolarHBondContact O-N 3.33Å; S389-E391 PolarHBondContact OG-N 3.36Å; S389-D392 PolarHBondContact N-O 2.99Å; S389-D392 PolarHBondContact OG-N 2.89Å
390	F	65.4	Low	74.8	Confident	66 Å²	66	39.9 Å²	39.9	29%	0.289	22%	0.223	S	C	.	.	S	Bend	trans	-56.8	-32	169.8	-161.2	-91.1	0	0	0	112.9	N464	F390-N464 HydrophobicContact CD1-CB 4.09Å; F390-N464 HydrophobicContact CD2-CB 3.89Å; F390-N464 HydrophobicContact CE1-CB 4.21Å; F390-N464 HydrophobicContact CE2-CB 4.03Å; F390-N464 WeakPolarHBondContact CE2-ND2 3.41Å; F390-N464 HydrophobicContact CG-CB 3.94Å; F390-N464 HydrophobicContact CZ-CB 4.2Å; F390-N464 WeakPolarHBondContact CZ-ND2 3.45Å; F390-N464 VanDerWaalsContact O-CB 3.27Å; F390-N464 WeakPolarHBondContact O-CB 3.35Å; F390-N464 PolarHBondContact O-N 3.21Å
391	E	67.7	Low	75.3	Confident	51 Å²	51	43.6 Å²	43.6	24%	0.238	25%	0.245	C	C	.	.	S	Bend	trans	-95.5	-38.2	-174.6	-65.5	-173.7	157.6	0	0	113.7	L42 S389 G461 E462 Y463	L42-E391 WeakPolarHBondContact CB-OE1 3.01Å; S389-E391 PolarHBondContact O-N 3.33Å; S389-E391 PolarHBondContact OG-N 3.36Å; E391-G461 CarbonylContact O-C 3.54Å; E391-G461 WeakPolarHBondContact O-CA 3.41Å; E391-G461 PolarHBondContact O-N 2.82Å; E391-E462 PolarHBondContact O-N 2.63Å; E391-Y463 VanDerWaalsContact O-CB 3.25Å; E391-Y463 WeakPolarHBondContact O-CB 3.4Å; E391-Y463 PolarHBondContact O-N 2.92Å
392	D	80.3	Confident	76	Confident	16 Å²	16	42 Å²	42	9%	0.086	24%	0.238	C	C	.	.			trans	-131.1	141	-165.5	-73	-41.3	0	0	0	112.7	S388 S389 L394 R400 R460 G461	S388-D392 CarbonylContact C-O 3.57Å; S388-D392 VanDerWaalsContact CA-O 3.29Å; S388-D392 WeakPolarHBondContact CA-O 3.35Å; S388-D392 WeakPolarHBondContact CB-O 3.41Å; S389-D392 PolarHBondContact N-O 2.99Å; S389-D392 PolarHBondContact OG-N 2.89Å; D392-L394 VanDerWaalsContact C-N 3.32Å; D392-L394 PolarHBondContact O-N 3.17Å; D392-R400 IonicContact OD1-NH1 2.67Å; D392-R400 PolarHBondContact OD1-NH1 3.18Å; D392-R400 IonicContact OD2-CZ 3.57Å; D392-R400 IonicContact OD2-NH1 2.78Å; D392-R400 PolarHBondContact OD2-NH1 3.42Å; D392-R400 IonicContact OD2-NH2 3.84Å; D392-R400 PolarHBondContact OD2-NH2 3.09Å; D392-R460 WeakPolarHBondContact OD1-CA 3.36Å; D392-R460 WeakPolarHBondContact OD1-CG 3.32Å; D392-G461 PolarHBondContact OD1-N 2.64Å
393	L	82.2	Confident	77	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-62.1	-38.2	176.5	176.4	65.1	0	0	0	112	S388 I452 D456 Y463 G552	S388-L393 VanDerWaalsContact CA-O 3.24Å; S388-L393 WeakPolarHBondContact CA-O 3.4Å; S388-L393 WeakPolarHBondContact CB-O 3.39Å; S388-L393 PolarHBondContact OG-O 3.45Å; L393-I452 HydrophobicContact CD2-CG2 4.45Å; L393-D456 HydrophobicContact CB-CB 4.24Å; L393-D456 HydrophobicContact CD2-CB 4.23Å; L393-Y463 HydrophobicContact CB-CD2 4.03Å; L393-Y463 HydrophobicContact CB-CE2 4.12Å; L393-Y463 HydrophobicContact CB-CG 4.46Å; L393-Y463 HydrophobicContact CD1-CD2 4.31Å; L393-Y463 HydrophobicContact CD1-CE1 4.34Å; L393-Y463 HydrophobicContact CD1-CE2 3.53Å; L393-Y463 HydrophobicContact CG-CE2 4.38Å; L393-G552 WeakPolarHBondContact CD1-O 3.38Å
394	L	83.7	Confident	78.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.218	C	C	.	.	S	Bend	trans	-118.3	90.7	174.9	-62.7	176.5	0	0	0	110.1	I387 D392 N396 R400 V403 I452 D456 V553 I658	I387-L394 HydrophobicContact CG2-CD2 4.15Å; D392-L394 VanDerWaalsContact C-N 3.32Å; D392-L394 PolarHBondContact O-N 3.17Å; L394-N396 VanDerWaalsContact C-N 3.26Å; L394-N396 PolarHBondContact O-N 3.18Å; L394-N396 VanDerWaalsContact O-N 3.13Å; L394-R400 HydrophobicContact CB-CG 3.83Å; L394-R400 HydrophobicContact CD1-CG 4.37Å; L394-R400 PolarHBondContact O-NE 2.99Å; L394-R400 PolarHBondContact O-NH2 3.34Å; L394-R400 VanDerWaalsContact O-NH2 3.12Å; L394-V403 HydrophobicContact CD1-CG2 3.89Å; L394-I452 HydrophobicContact CD1-CG2 4.32Å; L394-D456 WeakPolarHBondContact CB-OD1 3.21Å; L394-D456 HydrophobicContact CD1-CB 4.31Å; L394-D456 HydrophobicContact CG-CB 4.43Å; L394-D456 PolarHBondContact N-OD1 3.49Å; L394-V553 HydrophobicContact CD2-CG2 4Å; L394-I658 HydrophobicContact CD2-CD1 3.55Å
395	A	77.5	Confident	79.9	Confident	43 Å²	43	40.7 Å²	40.7	36%	0.355	22%	0.223	S	C	.	.			trans	-52.2	-43.1	-175.2	0	0	0	0	0	112.8	I387 R400	I387-A395 PolarHBondContact O-N 3.21Å; A395-R400 PolarHBondContact O-NH2 2.77Å
396	N	82.3	Confident	81.2	Confident	63 Å²	63	38.9 Å²	38.9	34%	0.337	21%	0.214	S	C	.	.			trans	-80.9	122.7	-174.7	-168.3	-33.7	0	0	0	113.3	L394 V398 L399 R400	L394-N396 VanDerWaalsContact C-N 3.26Å; L394-N396 PolarHBondContact O-N 3.18Å; L394-N396 VanDerWaalsContact O-N 3.13Å; N396-V398 PolarHBondContact O-N 3.49Å; N396-V398 VanDerWaalsContact OD1-CB 3.32Å; N396-V398 WeakPolarHBondContact OD1-CB 3.06Å; N396-V398 WeakPolarHBondContact OD1-CG2 3.27Å; N396-V398 PolarHBondContact OD1-N 3.26Å; N396-L399 HydrophobicContact CB-CB 4.34Å; N396-L399 HydrophobicContact CB-CD1 4Å; N396-L399 HydrophobicContact CB-CG 4.04Å; N396-L399 WeakPolarHBondContact O-CB 3.22Å; N396-L399 PolarHBondContact O-N 3.11Å; N396-L399 VanDerWaalsContact O-N 3.1Å; N396-R400 PolarHBondContact O-N 3.08Å
397	I	85.6	Confident	82.7	Confident	107 Å²	107	38.2 Å²	38.2	55%	0.549	21%	0.206	S	C	.	.	H	α-helix	trans	-57.5	-33.4	177	-170.2	59.1	0	0	0	113.6	R400 V401	I397-R400 PolarHBondContact O-N 2.88Å; I397-V401 WeakPolarHBondContact O-CG2 3.43Å; I397-V401 PolarHBondContact O-N 3.29Å; I397-V401 VanDerWaalsContact O-N 3.08Å
398	V	86.7	Confident	84	Confident	80 Å²	80	40.8 Å²	40.8	49%	0.485	23%	0.228	S	C	.	.	H	α-helix	trans	-66.4	-41.5	177.8	-175.8	0	0	0	0	110.5	N396 V401 F402 W655	N396-V398 PolarHBondContact O-N 3.49Å; N396-V398 VanDerWaalsContact OD1-CB 3.32Å; N396-V398 WeakPolarHBondContact OD1-CB 3.06Å; N396-V398 WeakPolarHBondContact OD1-CG2 3.27Å; N396-V398 PolarHBondContact OD1-N 3.26Å; V398-V401 PolarHBondContact O-N 2.95Å; V398-F402 VanDerWaalsContact O-CB 3.27Å; V398-F402 WeakPolarHBondContact O-CB 3.31Å; V398-F402 PolarHBondContact O-N 3.01Å; V398-W655 HydrophobicContact CB-CH2 4.42Å; V398-W655 HydrophobicContact CG1-CH2 3.94Å
399	L	84.6	Confident	85	Confident	5 Å²	5	44 Å²	44	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-43.6	175.5	-67.8	177.2	0	0	0	110.9	N396 V401 F402 V403 W655 I658	N396-L399 HydrophobicContact CB-CB 4.34Å; N396-L399 HydrophobicContact CB-CD1 4Å; N396-L399 HydrophobicContact CB-CG 4.04Å; N396-L399 WeakPolarHBondContact O-CB 3.22Å; N396-L399 PolarHBondContact O-N 3.11Å; N396-L399 VanDerWaalsContact O-N 3.1Å; L399-V401 PolarHBondContact O-N 3.13Å; L399-F402 PolarHBondContact O-N 3.11Å; L399-V403 WeakPolarHBondContact O-CG2 3.41Å; L399-V403 PolarHBondContact O-N 3.05Å; L399-W655 HydrophobicContact CD2-CD2 3.81Å; L399-W655 HydrophobicContact CD2-CE3 3.79Å; L399-W655 HydrophobicContact CD2-CH2 3.95Å; L399-W655 HydrophobicContact CD2-CZ2 3.97Å; L399-W655 HydrophobicContact CD2-CZ3 3.86Å; L399-W655 HydrophobicContact CG-CZ2 4.26Å; L399-I658 HydrophobicContact CD1-CD1 4.41Å; L399-I658 HydrophobicContact CD2-CB 4.4Å; L399-I658 HydrophobicContact CD2-CG2 4.1Å
400	R	89.6	Confident	86	Confident	24 Å²	24	42.6 Å²	42.6	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-58.5	-50.2	177	-64.4	-177.5	-140.2	-159.9	12.2	112.3	D392 L394 A395 N396 I397 F402 V403 W404 D456	D392-R400 IonicContact OD1-NH1 2.67Å; D392-R400 PolarHBondContact OD1-NH1 3.18Å; D392-R400 IonicContact OD2-CZ 3.57Å; D392-R400 IonicContact OD2-NH1 2.78Å; D392-R400 PolarHBondContact OD2-NH1 3.42Å; D392-R400 IonicContact OD2-NH2 3.84Å; D392-R400 PolarHBondContact OD2-NH2 3.09Å; L394-R400 HydrophobicContact CB-CG 3.83Å; L394-R400 HydrophobicContact CD1-CG 4.37Å; L394-R400 PolarHBondContact O-NE 2.99Å; L394-R400 PolarHBondContact O-NH2 3.34Å; L394-R400 VanDerWaalsContact O-NH2 3.12Å; A395-R400 PolarHBondContact O-NH2 2.77Å; N396-R400 PolarHBondContact O-N 3.08Å; I397-R400 PolarHBondContact O-N 2.88Å; R400-F402 VanDerWaalsContact C-N 3.29Å; R400-F402 PolarHBondContact O-N 3.16Å; R400-V403 PolarHBondContact O-N 3.32Å; R400-W404 VanDerWaalsContact O-CD1 3.24Å; R400-W404 PolarHBondContact O-N 3.2Å; R400-D456 VanDerWaalsContact CD-OD2 3.31Å; R400-D456 WeakPolarHBondContact CD-OD2 3.33Å
401	V	91	Very high	87.3	Confident	89 Å²	89	41 Å²	41	54%	0.539	23%	0.234	S	C	.	.	H	α-helix	trans	-60.3	-42.4	177.5	174.1	0	0	0	0	110.6	I397 V398 L399 W404 V405	I397-V401 WeakPolarHBondContact O-CG2 3.43Å; I397-V401 PolarHBondContact O-N 3.29Å; I397-V401 VanDerWaalsContact O-N 3.08Å; V398-V401 PolarHBondContact O-N 2.95Å; L399-V401 PolarHBondContact O-N 3.13Å; V401-W404 PolarHBondContact O-N 2.85Å; V401-V405 HydrophobicContact CG1-CG2 4.31Å; V401-V405 WeakPolarHBondContact O-CG2 3.25Å; V401-V405 PolarHBondContact O-N 2.93Å; V401-V405 VanDerWaalsContact O-N 3.08Å
402	F	89.6	Confident	88.4	Confident	40 Å²	40	45.7 Å²	45.7	18%	0.175	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-42.2	-178.2	-166.1	-93.2	0	0	0	113.2	V398 L399 R400 W404 V405 V406 I658 F659 I663	V398-F402 VanDerWaalsContact O-CB 3.27Å; V398-F402 WeakPolarHBondContact O-CB 3.31Å; V398-F402 PolarHBondContact O-N 3.01Å; L399-F402 PolarHBondContact O-N 3.11Å; R400-F402 VanDerWaalsContact C-N 3.29Å; R400-F402 PolarHBondContact O-N 3.16Å; F402-W404 VanDerWaalsContact C-N 3.32Å; F402-W404 PolarHBondContact O-N 3.48Å; F402-V405 PolarHBondContact O-N 3.41Å; F402-V406 HydrophobicContact CD1-CB 4.44Å; F402-V406 HydrophobicContact CD1-CG2 3.83Å; F402-V406 HydrophobicContact CD2-CG2 4.29Å; F402-V406 HydrophobicContact CE1-CB 4.07Å; F402-V406 HydrophobicContact CE1-CG2 3.26Å; F402-V406 HydrophobicContact CE2-CG2 3.79Å; F402-V406 HydrophobicContact CG-CG2 4.31Å; F402-V406 HydrophobicContact CZ-CB 4.48Å; F402-V406 HydrophobicContact CZ-CG2 3.26Å; F402-V406 PolarHBondContact O-N 3.46Å; F402-I658 HydrophobicContact CD1-CG2 4.39Å; F402-F659 AromaticContact CD1-CD2 3.89Å; F402-F659 HydrophobicContact CD1-CD2 3.89Å; F402-F659 AromaticContact CD2-CD2 3.81Å; F402-F659 HydrophobicContact CD2-CD2 3.81Å; F402-F659 AromaticContact CD2-CE2 3.89Å; F402-F659 HydrophobicContact CD2-CE2 3.89Å; F402-F659 HydrophobicContact CE1-CB 4.1Å; F402-F659 AromaticContact CE1-CD2 3.47Å; F402-F659 HydrophobicContact CE1-CD2 3.47Å; F402-F659 VanDerWaalsContact CE1-CD2 3.47Å; F402-F659 HydrophobicContact CE1-CE2 4.21Å; F402-F659 AromaticContact CE1-CG 4Å; F402-F659 HydrophobicContact CE1-CG 4Å; F402-F659 AromaticContact CE2-CD2 3.38Å; F402-F659 HydrophobicContact CE2-CD2 3.38Å; F402-F659 AromaticContact CE2-CE2 3.27Å; F402-F659 HydrophobicContact CE2-CE2 3.27Å; F402-F659 HydrophobicContact CE2-CZ 4.34Å; F402-F659 HydrophobicContact CG-CD2 4.04Å; F402-F659 AromaticContact CZ-CD2 3.17Å; F402-F659 HydrophobicContact CZ-CD2 3.17Å; F402-F659 AromaticContact CZ-CE2 3.44Å; F402-F659 HydrophobicContact CZ-CE2 3.44Å; F402-F659 VanDerWaalsContact CZ-CE2 3.44Å; F402-F659 AromaticContact CZ-CG 3.92Å; F402-F659 HydrophobicContact CZ-CG 3.92Å; F402-F659 HydrophobicContact CZ-CZ 4.36Å; F402-I663 HydrophobicContact CZ-CD1 4.13Å; F402-I663 HydrophobicContact CZ-CG1 4.15Å
403	V	92.6	Very high	88.8	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-53.7	-48.4	175.7	166.6	0	0	0	0	111	L394 L399 R400 S407 L449 I658	L394-V403 HydrophobicContact CD1-CG2 3.89Å; L399-V403 WeakPolarHBondContact O-CG2 3.41Å; L399-V403 PolarHBondContact O-N 3.05Å; R400-V403 PolarHBondContact O-N 3.32Å; V403-S407 WeakPolarHBondContact O-CB 3.37Å; V403-S407 PolarHBondContact O-N 3.09Å; V403-L449 HydrophobicContact CG1-CB 4.38Å; V403-L449 WeakPolarHBondContact CG1-O 3.35Å; V403-I658 HydrophobicContact CG2-CG2 3.51Å
404	W	93.8	Very high	89.2	Confident	87 Å²	87	45.6 Å²	45.6	33%	0.33	26%	0.257	S	S	.	.	H	α-helix	trans	-66.7	-44.2	178.4	-73.3	107.2	0	0	0	112.9	R400 V401 F402 A408 F450 G453 L457	R400-W404 VanDerWaalsContact O-CD1 3.24Å; R400-W404 PolarHBondContact O-N 3.2Å; V401-W404 PolarHBondContact O-N 2.85Å; F402-W404 VanDerWaalsContact C-N 3.32Å; F402-W404 PolarHBondContact O-N 3.48Å; W404-A408 VanDerWaalsContact O-CB 3.29Å; W404-A408 WeakPolarHBondContact O-CB 3.4Å; W404-A408 PolarHBondContact O-N 3.15Å; W404-F450 HydrophobicContact CH2-CD2 4.5Å; W404-F450 HydrophobicContact CH2-CE2 4.28Å; W404-F450 AromaticContact CZ3-CD2 3.82Å; W404-F450 HydrophobicContact CZ3-CD2 3.82Å; W404-F450 AromaticContact CZ3-CE2 3.68Å; W404-F450 HydrophobicContact CZ3-CE2 3.68Å; W404-F450 HydrophobicContact CZ3-CZ 4.48Å; W404-G453 VanDerWaalsContact CZ2-C 3.44Å; W404-G453 WeakPolarHBondContact CZ2-O 3.37Å; W404-L457 HydrophobicContact CH2-CD1 4.39Å; W404-L457 HydrophobicContact CZ2-CD1 3.61Å; W404-L457 HydrophobicContact CZ2-CG 4.25Å
405	V	92.8	Very high	89.5	Confident	81 Å²	81	50.5 Å²	50.5	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-46	179.7	169.4	0	0	0	0	111.6	V401 F402 T409	V401-V405 HydrophobicContact CG1-CG2 4.31Å; V401-V405 WeakPolarHBondContact O-CG2 3.25Å; V401-V405 PolarHBondContact O-N 2.93Å; V401-V405 VanDerWaalsContact O-N 3.08Å; F402-V405 PolarHBondContact O-N 3.41Å; V405-T409 WeakPolarHBondContact O-CB 3.44Å; V405-T409 PolarHBondContact O-N 3.21Å; V405-T409 PolarHBondContact O-OG1 2.92Å
406	V	91.7	Very high	90	Very high	10 Å²	10	51.3 Å²	51.3	6%	0.061	28%	0.278	C	S	.	.	H	α-helix	trans	-76.7	-37.5	-178.4	175.8	0	0	0	0	111.8	F402 A408 T409 T410 L449 P662 A666	F402-V406 HydrophobicContact CD1-CB 4.44Å; F402-V406 HydrophobicContact CD1-CG2 3.83Å; F402-V406 HydrophobicContact CD2-CG2 4.29Å; F402-V406 HydrophobicContact CE1-CB 4.07Å; F402-V406 HydrophobicContact CE1-CG2 3.26Å; F402-V406 HydrophobicContact CE2-CG2 3.79Å; F402-V406 HydrophobicContact CG-CG2 4.31Å; F402-V406 HydrophobicContact CZ-CB 4.48Å; F402-V406 HydrophobicContact CZ-CG2 3.26Å; F402-V406 PolarHBondContact O-N 3.46Å; V406-A408 PolarHBondContact O-N 3.17Å; V406-T409 PolarHBondContact O-N 3.39Å; V406-T410 HydrophobicContact CG1-CG2 3.84Å; V406-T410 WeakPolarHBondContact O-CB 3.49Å; V406-T410 VanDerWaalsContact O-CG2 3.27Å; V406-T410 WeakPolarHBondContact O-CG2 3.24Å; V406-T410 PolarHBondContact O-N 2.98Å; V406-T410 PolarHBondContact O-OG1 2.9Å; V406-L449 HydrophobicContact CB-CD1 4.14Å; V406-L449 HydrophobicContact CG1-CD1 3.78Å; V406-P662 HydrophobicContact CG1-CB 3.89Å; V406-A666 HydrophobicContact CG1-CB 4.32Å
407	S	93.9	Very high	90.1	Very high	4 Å²	4	48.3 Å²	48.3	3%	0.028	26%	0.262	C	S	.	.	H	α-helix	trans	-57.7	-47.1	170.9	178.3	0	0	0	0	111.7	V403 T409 T410 C411 G446 F450	V403-S407 WeakPolarHBondContact O-CB 3.37Å; V403-S407 PolarHBondContact O-N 3.09Å; S407-T409 PolarHBondContact O-N 2.95Å; S407-T410 WeakPolarHBondContact CA-OG1 3.41Å; S407-T410 PolarHBondContact O-OG1 3.05Å; S407-C411 VanDerWaalsContact O-CB 3.27Å; S407-C411 WeakPolarHBondContact O-CB 3.37Å; S407-C411 PolarHBondContact O-N 2.89Å; S407-C411 PolarHBondContact O-SG 3.46Å; S407-G446 PolarHBondContact OG-O 3.15Å; S407-F450 WeakPolarHBondContact OG-CA 3.28Å; S407-F450 WeakPolarHBondContact OG-CB 3.49Å; S407-F450 PolarHBondContact OG-N 3.13Å
408	A	93.1	Very high	90.2	Very high	60 Å²	60	45.2 Å²	45.2	50%	0.496	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-44	177.2	0	0	0	0	0	112	W404 V406 F412	W404-A408 VanDerWaalsContact O-CB 3.29Å; W404-A408 WeakPolarHBondContact O-CB 3.4Å; W404-A408 PolarHBondContact O-N 3.15Å; V406-A408 PolarHBondContact O-N 3.17Å; A408-F412 WeakPolarHBondContact O-CB 3.29Å; A408-F412 PolarHBondContact O-N 3.24Å
409	T	90.9	Very high	90.1	Very high	67 Å²	67	45.2 Å²	45.2	41%	0.411	25%	0.249	S	C	.	.	H	α-helix	trans	-68.3	-42.9	-178.3	-57.9	0	0	0	0	112.3	V405 V406 S407 G413 A666	V405-T409 WeakPolarHBondContact O-CB 3.44Å; V405-T409 PolarHBondContact O-N 3.21Å; V405-T409 PolarHBondContact O-OG1 2.92Å; V406-T409 PolarHBondContact O-N 3.39Å; S407-T409 PolarHBondContact O-N 2.95Å; T409-G413 WeakPolarHBondContact O-CA 3.31Å; T409-G413 PolarHBondContact O-N 3.14Å; T409-A666 HydrophobicContact CG2-CB 4.43Å
410	T	91.8	Very high	89.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-50.2	177.2	48.3	0	0	0	0	111.4	V406 S407 N414 G446 A666	V406-T410 HydrophobicContact CG1-CG2 3.84Å; V406-T410 WeakPolarHBondContact O-CB 3.49Å; V406-T410 VanDerWaalsContact O-CG2 3.27Å; V406-T410 WeakPolarHBondContact O-CG2 3.24Å; V406-T410 PolarHBondContact O-N 2.98Å; V406-T410 PolarHBondContact O-OG1 2.9Å; S407-T410 WeakPolarHBondContact CA-OG1 3.41Å; S407-T410 PolarHBondContact O-OG1 3.05Å; T410-N414 WeakPolarHBondContact O-CB 3.44Å; T410-N414 PolarHBondContact O-N 2.98Å; T410-N414 PolarHBondContact O-ND2 2.91Å; T410-G446 WeakPolarHBondContact OG1-CA 3.23Å; T410-A666 HydrophobicContact CG2-CB 3.69Å
411	C	92	Very high	89.3	Confident	32 Å²	32	49.4 Å²	49.4	22%	0.216	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-55.6	178.1	-71.4	0	0	0	0	111.3	S407 I415	S407-C411 VanDerWaalsContact O-CB 3.27Å; S407-C411 WeakPolarHBondContact O-CB 3.37Å; S407-C411 PolarHBondContact O-N 2.89Å; S407-C411 PolarHBondContact O-SG 3.46Å; C411-I415 WeakPolarHBondContact O-CB 3.5Å; C411-I415 WeakPolarHBondContact O-CD1 3.28Å; C411-I415 WeakPolarHBondContact O-CG1 3.38Å; C411-I415 PolarHBondContact O-N 3.48Å
412	F	91.4	Very high	88.8	Confident	150 Å²	150	49.1 Å²	49.1	66%	0.658	27%	0.27	S	S	*	.	H	α-helix	trans	-64.4	-44.3	-178	-178.7	-96.1	0	0	0	112.1	A408 F416	A408-F412 WeakPolarHBondContact O-CB 3.29Å; A408-F412 PolarHBondContact O-N 3.24Å; F412-F416 WeakPolarHBondContact O-CB 3.45Å; F412-F416 PolarHBondContact O-N 3.04Å
413	G	89.1	Confident	88.3	Confident	14 Å²	14	56.8 Å²	56.8	14%	0.144	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-45.7	-178.4	0	0	0	0	0	112.8	T409 V417	T409-G413 WeakPolarHBondContact O-CA 3.31Å; T409-G413 PolarHBondContact O-N 3.14Å; G413-V417 WeakPolarHBondContact O-CG2 3.42Å; G413-V417 PolarHBondContact O-N 3.01Å; G413-V417 VanDerWaalsContact O-N 3.08Å
414	N	90.1	Very high	87.3	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-71.5	-43.1	179.2	-75	-68.6	0	0	0	112.1	T410 F416 V417 I418 C439 S665 P669	T410-N414 WeakPolarHBondContact O-CB 3.44Å; T410-N414 PolarHBondContact O-N 2.98Å; T410-N414 PolarHBondContact O-ND2 2.91Å; N414-F416 VanDerWaalsContact C-N 3.34Å; N414-F416 PolarHBondContact O-N 2.9Å; N414-V417 PolarHBondContact O-N 3.32Å; N414-I418 VanDerWaalsContact O-CG1 3.29Å; N414-I418 WeakPolarHBondContact O-CG1 3.25Å; N414-I418 PolarHBondContact O-N 3.38Å; N414-C439 HydrophobicContact CB-CB 4.1Å; N414-C439 WeakPolarHBondContact OD1-CA 3.09Å; N414-C439 WeakPolarHBondContact OD1-CB 3.3Å; N414-C439 PolarHBondContact OD1-SG 3.46Å; N414-S665 PolarHBondContact ND2-O 2.98Å; N414-P669 HydrophobicContact CB-CG 4.49Å; N414-P669 WeakPolarHBondContact OD1-CG 3.21Å
415	I	90.4	Very high	85.6	Confident	104 Å²	104	67.4 Å²	67.4	53%	0.533	34%	0.342	S	S	.	.	H	α-helix	trans	-59	-45.7	174.3	-68.3	167.6	0	0	0	110.8	C411 V417 I418 C419	C411-I415 WeakPolarHBondContact O-CB 3.5Å; C411-I415 WeakPolarHBondContact O-CD1 3.28Å; C411-I415 WeakPolarHBondContact O-CG1 3.38Å; C411-I415 PolarHBondContact O-N 3.48Å; I415-V417 VanDerWaalsContact C-N 3.34Å; I415-V417 PolarHBondContact O-N 3.32Å; I415-I418 PolarHBondContact O-N 3.2Å; I415-C419 PolarHBondContact O-N 3.42Å; I415-C419 PolarHBondContact O-SG 3.35Å; I415-C419 VanDerWaalsContact O-SG 3.38Å
416	F	87.4	Confident	84	Confident	59 Å²	59	65.3 Å²	65.3	26%	0.259	33%	0.332	S	S	.	.	H	α-helix	trans	-58.1	-44.6	177.1	176	-95.5	0	0	0	112	F412 N414 M420 L674 F679	F412-F416 WeakPolarHBondContact O-CB 3.45Å; F412-F416 PolarHBondContact O-N 3.04Å; N414-F416 VanDerWaalsContact C-N 3.34Å; N414-F416 PolarHBondContact O-N 2.9Å; F416-M420 HydrophobicContact CD1-CG 4.29Å; F416-M420 HydrophobicContact CD2-CE 4.35Å; F416-M420 HydrophobicContact CD2-CG 4.29Å; F416-M420 HydrophobicContact CE1-CG 3.91Å; F416-M420 HydrophobicContact CE2-CE 3.48Å; F416-M420 VanDerWaalsContact CE2-CE 3.48Å; F416-M420 HydrophobicContact CE2-CG 3.93Å; F416-M420 HydrophobicContact CG-CG 4.47Å; F416-M420 HydrophobicContact CZ-CE 3.76Å; F416-M420 HydrophobicContact CZ-CG 3.72Å; F416-M420 HydrophobicContact CZ-SD 4.42Å; F416-M420 WeakPolarHBondContact O-CB 3.44Å; F416-M420 VanDerWaalsContact O-CG 3.3Å; F416-M420 WeakPolarHBondContact O-CG 3.21Å; F416-M420 PolarHBondContact O-N 2.85Å; F416-L674 HydrophobicContact CE1-CD2 3.88Å; F416-F679 HydrophobicContact CE1-CE2 4.09Å; F416-F679 HydrophobicContact CE1-CZ 4.39Å; F416-F679 HydrophobicContact CZ-CE2 4.16Å; F416-F679 HydrophobicContact CZ-CZ 4.48Å
417	V	85.1	Confident	82.3	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.006	36%	0.363	C	S	.	.	H	α-helix	trans	-66.3	-41.8	177.6	168.9	0	0	0	0	111.8	G413 N414 I415 M420 R421 I435 P669 T673	G413-V417 WeakPolarHBondContact O-CG2 3.42Å; G413-V417 PolarHBondContact O-N 3.01Å; G413-V417 VanDerWaalsContact O-N 3.08Å; N414-V417 PolarHBondContact O-N 3.32Å; I415-V417 VanDerWaalsContact C-N 3.34Å; I415-V417 PolarHBondContact O-N 3.32Å; V417-M420 PolarHBondContact O-N 3.26Å; V417-R421 HydrophobicContact CG1-CG 3.96Å; V417-R421 WeakPolarHBondContact O-CB 3.16Å; V417-R421 WeakPolarHBondContact O-CG 3.42Å; V417-R421 PolarHBondContact O-N 2.77Å; V417-I435 HydrophobicContact CG1-CG2 4.45Å; V417-P669 HydrophobicContact CG2-CB 3.79Å; V417-T673 WeakPolarHBondContact CG1-OG1 3.25Å; V417-T673 HydrophobicContact CG2-CG2 4.35Å
418	I	87.4	Confident	81.2	Confident	42 Å²	42	76 Å²	76	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-59.7	-49.4	176.3	-68	163.3	0	0	0	110.5	N414 I415 R421 S422 I436 C439	N414-I418 VanDerWaalsContact O-CG1 3.29Å; N414-I418 WeakPolarHBondContact O-CG1 3.25Å; N414-I418 PolarHBondContact O-N 3.38Å; I415-I418 PolarHBondContact O-N 3.2Å; I418-R421 PolarHBondContact O-N 3.21Å; I418-S422 VanDerWaalsContact O-CB 3.3Å; I418-S422 WeakPolarHBondContact O-CB 3.23Å; I418-S422 PolarHBondContact O-N 3.07Å; I418-S422 PolarHBondContact O-OG 2.93Å; I418-I436 HydrophobicContact CG1-CG2 4.44Å; I418-I436 HydrophobicContact CG2-CG2 4.38Å; I418-C439 HydrophobicContact CD1-CB 3.85Å; I418-C439 HydrophobicContact CG1-CB 3.65Å
419	C	85	Confident	80.3	Confident	79 Å²	79	80.6 Å²	80.6	53%	0.534	39%	0.392	S	S	.	.	H	α-helix	trans	-61.2	-49.5	178.2	-70	0	0	0	0	112	I415 R421 S422 Y423	I415-C419 PolarHBondContact O-N 3.42Å; I415-C419 PolarHBondContact O-SG 3.35Å; I415-C419 VanDerWaalsContact O-SG 3.38Å; C419-R421 PolarHBondContact O-N 3.41Å; C419-S422 PolarHBondContact O-N 2.99Å; C419-Y423 WeakPolarHBondContact O-CB 3.23Å; C419-Y423 PolarHBondContact O-N 3.3Å
420	M	78.5	Confident	79.6	Confident	67 Å²	67	79.8 Å²	79.8	33%	0.33	39%	0.385	S	S	.	.	H	α-helix	trans	-64.7	-39.7	-179.5	-74.9	-67.1	173.5	0	0	112.7	F416 V417 S422 Y423 I424	F416-M420 HydrophobicContact CD1-CG 4.29Å; F416-M420 HydrophobicContact CD2-CE 4.35Å; F416-M420 HydrophobicContact CD2-CG 4.29Å; F416-M420 HydrophobicContact CE1-CG 3.91Å; F416-M420 HydrophobicContact CE2-CE 3.48Å; F416-M420 VanDerWaalsContact CE2-CE 3.48Å; F416-M420 HydrophobicContact CE2-CG 3.93Å; F416-M420 HydrophobicContact CG-CG 4.47Å; F416-M420 HydrophobicContact CZ-CE 3.76Å; F416-M420 HydrophobicContact CZ-CG 3.72Å; F416-M420 HydrophobicContact CZ-SD 4.42Å; F416-M420 WeakPolarHBondContact O-CB 3.44Å; F416-M420 VanDerWaalsContact O-CG 3.3Å; F416-M420 WeakPolarHBondContact O-CG 3.21Å; F416-M420 PolarHBondContact O-N 2.85Å; V417-M420 PolarHBondContact O-N 3.26Å; M420-S422 VanDerWaalsContact C-N 3.35Å; M420-Y423 PolarHBondContact O-N 2.87Å; M420-I424 WeakPolarHBondContact O-CB 3.17Å; M420-I424 WeakPolarHBondContact O-CG1 3.32Å; M420-I424 PolarHBondContact O-N 3.47Å
421	R	77.6	Confident	78.9	Confident	51 Å²	51	81.1 Å²	81.1	19%	0.192	39%	0.391	C	S	.	.	H	α-helix	trans	-72.5	-27.6	177.6	-70.7	-66.6	-170.8	154.6	5.1	113.1	V417 I418 C419 I436 Y672 T673	V417-R421 HydrophobicContact CG1-CG 3.96Å; V417-R421 WeakPolarHBondContact O-CB 3.16Å; V417-R421 WeakPolarHBondContact O-CG 3.42Å; V417-R421 PolarHBondContact O-N 2.77Å; I418-R421 PolarHBondContact O-N 3.21Å; C419-R421 PolarHBondContact O-N 3.41Å; R421-I436 HydrophobicContact CB-CD1 4.17Å; R421-I436 HydrophobicContact CB-CG1 4.13Å; R421-Y672 PolarHBondContact NH2-O 3.06Å; R421-T673 PolarHBondContact NE-OG1 3.22Å; R421-T673 VanDerWaalsContact NE-OG1 3.11Å; R421-T673 PolarHBondContact NH2-OG1 3.35Å
422	S	80.5	Confident	78.3	Confident	83 Å²	83	80 Å²	80	58%	0.58	38%	0.384	S	S	*	.	H	α-helix	trans	-74.6	-34.1	173.2	-58.5	0	0	0	0	112.2	I418 C419 M420	I418-S422 VanDerWaalsContact O-CB 3.3Å; I418-S422 WeakPolarHBondContact O-CB 3.23Å; I418-S422 PolarHBondContact O-N 3.07Å; I418-S422 PolarHBondContact O-OG 2.93Å; C419-S422 PolarHBondContact O-N 2.99Å; M420-S422 VanDerWaalsContact C-N 3.35Å
423	Y	79.1	Confident	78	Confident	201 Å²	201	76.8 Å²	76.8	79%	0.788	37%	0.372	S	S	*	.	H	α-helix	trans	-81.4	-42.5	179.9	-174.3	-101.5	0	0	0	113.6	C419 M420 R425	C419-Y423 WeakPolarHBondContact O-CB 3.23Å; C419-Y423 PolarHBondContact O-N 3.3Å; M420-Y423 PolarHBondContact O-N 2.87Å; Y423-R425 PolarHBondContact O-N 2.75Å
424	I	71	Confident	77.8	Confident	55 Å²	55	76.1 Å²	76.1	28%	0.282	37%	0.365	S	S	.	.	S	Bend	trans	-76.8	114.3	-177.9	-62.8	169.9	0	0	0	109.8	M420 S426	M420-I424 WeakPolarHBondContact O-CB 3.17Å; M420-I424 WeakPolarHBondContact O-CG1 3.32Å; M420-I424 PolarHBondContact O-N 3.47Å; I424-S426 VanDerWaalsContact C-N 3.3Å; I424-S426 PolarHBondContact O-N 2.99Å
425	R	58.4	Low	77.5	Confident	254 Å²	254	76.6 Å²	76.6	96%	0.958	37%	0.368	S	S	*	.			trans	-64	82.9	177.7	-171.1	173.7	-177.9	155.6	-1.7	111.5	Y423	Y423-R425 PolarHBondContact O-N 2.75Å
426	S	59.9	Low	77.3	Confident	38 Å²	38	73.1 Å²	73.1	27%	0.266	35%	0.35	S	S	.	.			trans	-72.9	146.6	-176.4	66.1	0	0	0	0	113.3	I424 N428	I424-S426 VanDerWaalsContact C-N 3.3Å; I424-S426 PolarHBondContact O-N 2.99Å; S426-N428 VanDerWaalsContact C-N 3.28Å; S426-N428 PolarHBondContact O-N 3.38Å
427	E	56.2	Low	77.5	Confident	156 Å²	156	71 Å²	71	73%	0.729	34%	0.342	S	S	*	.	S	Bend	trans	-63.2	-32.8	179.1	-62.7	174.2	132.8	0	0	112.5	K613	E427-K613 IonicContact OE1-NZ 3.95Å; E427-K613 PolarHBondContact OE1-NZ 2.94Å; E427-K613 IonicContact OE2-NZ 3.94Å; E427-K613 PolarHBondContact OE2-NZ 2.87Å
428	N	70	Confident	77.7	Confident	81 Å²	81	71 Å²	71	43%	0.433	34%	0.342	S	S	.	.			trans	-117.6	86.7	-175.2	-75.5	-24.7	0	0	0	111.5	S426 L430 H431 A432	S426-N428 VanDerWaalsContact C-N 3.28Å; S426-N428 PolarHBondContact O-N 3.38Å; N428-L430 VanDerWaalsContact C-N 3.26Å; N428-L430 PolarHBondContact O-N 2.86Å; N428-H431 PolarHBondContact O-N 3.32Å; N428-A432 PolarHBondContact O-N 2.86Å
429	K	75.6	Confident	77.8	Confident	157 Å²	157	69 Å²	69	68%	0.683	33%	0.332	S	S	*	.	H	α-helix	trans	-54.2	-37.5	179.8	-68.6	-175	177.2	-176.8	0	113.8	A432 M433 W516	K429-A432 PolarHBondContact O-N 3.28Å; K429-M433 WeakPolarHBondContact O-CG 3.5Å; K429-M433 PolarHBondContact O-N 2.94Å; K429-M433 VanDerWaalsContact O-N 3.15Å; K429-W516 HydrophobicContact CB-CZ3 4.43Å
430	L	75.7	Confident	78.2	Confident	51 Å²	51	67.8 Å²	67.8	27%	0.267	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-56.8	-178.5	-65.8	168.1	0	0	0	111.9	N428 A432 M433 C434 W516 T519	N428-L430 VanDerWaalsContact C-N 3.26Å; N428-L430 PolarHBondContact O-N 2.86Å; L430-A432 PolarHBondContact O-N 3.05Å; L430-M433 WeakPolarHBondContact O-CB 3.49Å; L430-M433 PolarHBondContact O-N 3.36Å; L430-C434 PolarHBondContact O-N 3.1Å; L430-C434 PolarHBondContact O-SG 3.39Å; L430-C434 VanDerWaalsContact O-SG 3.4Å; L430-W516 HydrophobicContact CD2-CB 4.09Å; L430-W516 HydrophobicContact CD2-CD2 4.35Å; L430-W516 HydrophobicContact CD2-CE3 3.6Å; L430-W516 HydrophobicContact CD2-CZ3 4.4Å; L430-T519 HydrophobicContact CD2-CG2 4.33Å
431	H	76.9	Confident	78.9	Confident	28 Å²	28	64.6 Å²	64.6	13%	0.13	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-31.4	177.8	-71	-49.4	0	0	0	113.2	N428 I435 E500 K501	N428-H431 PolarHBondContact O-N 3.32Å; H431-I435 WeakPolarHBondContact O-CG1 3.42Å; H431-I435 PolarHBondContact O-N 3.46Å; H431-I435 VanDerWaalsContact O-N 3.13Å; H431-E500 IonicContact CE1-OE1 3.26Å; H431-E500 IonicContact CE1-OE2 3.4Å; H431-E500 PolarHBondContact CE1-OE2 2.84Å; H431-E500 IonicContact ND1-OE1 2.68Å; H431-E500 IonicContact ND1-OE2 3.72Å; H431-E500 PolarHBondContact ND1-OE2 2.89Å; H431-K501 VanDerWaalsContact CE1-CE 3.43Å; H431-K501 WeakPolarHBondContact CE1-CE 3.27Å; H431-K501 VanDerWaalsContact NE2-CE 3.31Å; H431-K501 WeakPolarHBondContact NE2-CE 3.41Å; H431-K501 PolarHBondContact NE2-NZ 2.89Å
432	A	79.9	Confident	79.6	Confident	9 Å²	9	62.3 Å²	62.3	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-42.7	174.2	0	0	0	0	0	111.7	N428 K429 L430 I435 I436	N428-A432 PolarHBondContact O-N 2.86Å; K429-A432 PolarHBondContact O-N 3.28Å; L430-A432 PolarHBondContact O-N 3.05Å; A432-I435 PolarHBondContact O-N 2.86Å; A432-I436 VanDerWaalsContact O-CG1 3.27Å; A432-I436 WeakPolarHBondContact O-CG1 3.38Å; A432-I436 PolarHBondContact O-N 3.43Å
433	M	83.9	Confident	80.2	Confident	81 Å²	81	59 Å²	59	40%	0.399	28%	0.279	S	S	.	.	H	α-helix	trans	-63.6	-42.7	176.6	-65.2	-66.6	-69.9	0	0	112.4	K429 L430 I435 I436 S437 W516	K429-M433 WeakPolarHBondContact O-CG 3.5Å; K429-M433 PolarHBondContact O-N 2.94Å; K429-M433 VanDerWaalsContact O-N 3.15Å; L430-M433 WeakPolarHBondContact O-CB 3.49Å; L430-M433 PolarHBondContact O-N 3.36Å; M433-I435 PolarHBondContact O-N 3.19Å; M433-I436 PolarHBondContact O-N 2.85Å; M433-S437 PolarHBondContact O-N 2.77Å; M433-W516 HydrophobicContact CE-CH2 4.04Å; M433-W516 HydrophobicContact CG-CH2 3.72Å; M433-W516 HydrophobicContact CG-CZ3 3.74Å; M433-W516 HydrophobicContact SD-CH2 4.05Å
434	C	84.8	Confident	80.9	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-41.8	177.9	-57.5	0	0	0	0	111.9	L430 S437 L438 L497	L430-C434 PolarHBondContact O-N 3.1Å; L430-C434 PolarHBondContact O-SG 3.39Å; L430-C434 VanDerWaalsContact O-SG 3.4Å; C434-S437 PolarHBondContact O-N 3.02Å; C434-L438 PolarHBondContact O-N 3.36Å; C434-L497 HydrophobicContact CB-CD2 3.53Å; C434-L497 HydrophobicContact CB-CG 4.22Å
435	I	83.9	Confident	82	Confident	10 Å²	10	48.3 Å²	48.3	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-67	-39.9	175.7	-66.7	167.8	0	0	0	111.2	V417 H431 A432 M433 L438 C439 Y672	V417-I435 HydrophobicContact CG1-CG2 4.45Å; H431-I435 WeakPolarHBondContact O-CG1 3.42Å; H431-I435 PolarHBondContact O-N 3.46Å; H431-I435 VanDerWaalsContact O-N 3.13Å; A432-I435 PolarHBondContact O-N 2.86Å; M433-I435 PolarHBondContact O-N 3.19Å; I435-L438 PolarHBondContact O-N 3.08Å; I435-C439 PolarHBondContact O-N 3.24Å; I435-Y672 HydrophobicContact CG2-CG 4.26Å
436	I	87.3	Confident	83.7	Confident	32 Å²	32	36.2 Å²	36.2	16%	0.164	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-44.7	174.9	-71.7	165.1	0	0	0	110.4	I418 R421 A432 M433 L438 C439 C440	I418-I436 HydrophobicContact CG1-CG2 4.44Å; I418-I436 HydrophobicContact CG2-CG2 4.38Å; R421-I436 HydrophobicContact CB-CD1 4.17Å; R421-I436 HydrophobicContact CB-CG1 4.13Å; A432-I436 VanDerWaalsContact O-CG1 3.27Å; A432-I436 WeakPolarHBondContact O-CG1 3.38Å; A432-I436 PolarHBondContact O-N 3.43Å; M433-I436 PolarHBondContact O-N 2.85Å; I436-L438 VanDerWaalsContact C-N 3.29Å; I436-L438 PolarHBondContact O-N 3.13Å; I436-C439 PolarHBondContact O-N 2.69Å; I436-C440 PolarHBondContact O-N 3.26Å; I436-C440 PolarHBondContact O-SG 3.18Å
437	S	90.8	Very high	85.4	Confident	14 Å²	14	38.3 Å²	38.3	10%	0.098	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-38.9	175.7	-175.5	0	0	0	0	112.5	M433 C434 C440 A441 W527	M433-S437 PolarHBondContact O-N 2.77Å; C434-S437 PolarHBondContact O-N 3.02Å; S437-C440 WeakPolarHBondContact O-CB 3.37Å; S437-C440 PolarHBondContact O-N 2.91Å; S437-A441 PolarHBondContact O-N 3.07Å; S437-A441 VanDerWaalsContact O-N 3.13Å; S437-W527 PolarHBondContact OG-NE1 3.35Å
438	L	89	Confident	87.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.9	-42.9	177.6	-176.8	55.1	0	0	0	111.8	C434 I435 I436 C440 A441 D442 S490 L493 L494 L497 Y672	C434-L438 PolarHBondContact O-N 3.36Å; I435-L438 PolarHBondContact O-N 3.08Å; I436-L438 VanDerWaalsContact C-N 3.29Å; I436-L438 PolarHBondContact O-N 3.13Å; L438-C440 PolarHBondContact O-N 3.18Å; L438-A441 PolarHBondContact O-N 3.13Å; L438-A441 VanDerWaalsContact O-N 3.12Å; L438-D442 WeakPolarHBondContact O-CB 3.12Å; L438-D442 PolarHBondContact O-N 2.88Å; L438-S490 WeakPolarHBondContact CD1-OG 3.48Å; L438-L493 HydrophobicContact CB-CD1 4.26Å; L438-L493 HydrophobicContact CD1-CB 4.11Å; L438-L493 HydrophobicContact CD1-CD1 4.3Å; L438-L494 HydrophobicContact CD2-CD2 3.97Å; L438-L494 HydrophobicContact CD2-CG 4.31Å; L438-L497 HydrophobicContact CD2-CD1 3.99Å; L438-Y672 HydrophobicContact CD2-CE1 4.28Å; L438-Y672 HydrophobicContact CD2-CE2 3.67Å; L438-Y672 VanDerWaalsContact CD2-CZ 3.46Å; L438-Y672 WeakPolarHBondContact CD2-OH 3.37Å; L438-Y672 HydrophobicContact CG-CE2 4.25Å
439	C	90.7	Very high	88.3	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-29.9	172.2	-72.9	0	0	0	0	113.1	N414 I418 I435 I436 G443	N414-C439 HydrophobicContact CB-CB 4.1Å; N414-C439 WeakPolarHBondContact OD1-CA 3.09Å; N414-C439 WeakPolarHBondContact OD1-CB 3.3Å; N414-C439 PolarHBondContact OD1-SG 3.46Å; I418-C439 HydrophobicContact CD1-CB 3.85Å; I418-C439 HydrophobicContact CG1-CB 3.65Å; I435-C439 PolarHBondContact O-N 3.24Å; I436-C439 PolarHBondContact O-N 2.69Å; C439-G443 PolarHBondContact O-N 3.39Å
440	C	92.9	Very high	89.3	Confident	54 Å²	54	24.6 Å²	24.6	37%	0.365	13%	0.132	S	C	.	.	H	α-helix	trans	-66.9	-43	171.6	-67	0	0	0	0	111.7	I436 S437 L438 G443 W527	I436-C440 PolarHBondContact O-N 3.26Å; I436-C440 PolarHBondContact O-SG 3.18Å; S437-C440 WeakPolarHBondContact O-CB 3.37Å; S437-C440 PolarHBondContact O-N 2.91Å; L438-C440 PolarHBondContact O-N 3.18Å; C440-G443 PolarHBondContact O-N 3.07Å; C440-W527 HydrophobicContact CB-CZ2 4.03Å
441	A	93.6	Very high	90.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.3	-49.3	176.3	0	0	0	0	0	111.7	S437 L438 G443 L444 S486 V489 S490 L493 W527	S437-A441 PolarHBondContact O-N 3.07Å; S437-A441 VanDerWaalsContact O-N 3.13Å; L438-A441 PolarHBondContact O-N 3.13Å; L438-A441 VanDerWaalsContact O-N 3.12Å; A441-G443 VanDerWaalsContact C-N 3.26Å; A441-G443 PolarHBondContact O-N 3.02Å; A441-L444 WeakPolarHBondContact O-CB 3.38Å; A441-L444 PolarHBondContact O-N 3.26Å; A441-L444 VanDerWaalsContact O-N 3.07Å; A441-S486 WeakPolarHBondContact O-CB 3.25Å; A441-S486 PolarHBondContact O-OG 3.34Å; A441-V489 HydrophobicContact CB-CB 4.2Å; A441-V489 HydrophobicContact CB-CG1 3.77Å; A441-S490 WeakPolarHBondContact CB-OG 3.4Å; A441-L493 HydrophobicContact CB-CD1 4.3Å; A441-W527 HydrophobicContact CB-CH2 4.43Å; A441-W527 HydrophobicContact CB-CZ2 4.25Å
442	D	92	Very high	90.9	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-30.7	176.8	-79.3	-24.3	0	0	0	113.2	L438 L444 M445 S490 S665 N668	L438-D442 WeakPolarHBondContact O-CB 3.12Å; L438-D442 PolarHBondContact O-N 2.88Å; D442-L444 VanDerWaalsContact C-N 3.26Å; D442-L444 PolarHBondContact O-N 3.1Å; D442-M445 WeakPolarHBondContact O-CB 3.42Å; D442-M445 PolarHBondContact O-N 2.91Å; D442-S490 PolarHBondContact OD1-OG 3.34Å; D442-S665 WeakPolarHBondContact OD1-CB 3.5Å; D442-S665 PolarHBondContact OD1-OG 2.78Å; D442-N668 WeakPolarHBondContact OD2-CB 3.23Å; D442-N668 PolarHBondContact OD2-ND2 3.24Å
443	G	92.7	Very high	91.6	Very high	14 Å²	14	23.5 Å²	23.5	14%	0.144	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-29.4	174.2	0	0	0	0	0	113.5	C439 C440 A441 M445 G446 I447	C439-G443 PolarHBondContact O-N 3.39Å; C440-G443 PolarHBondContact O-N 3.07Å; A441-G443 VanDerWaalsContact C-N 3.26Å; A441-G443 PolarHBondContact O-N 3.02Å; G443-M445 VanDerWaalsContact C-N 3.34Å; G443-M445 PolarHBondContact O-N 3.05Å; G443-G446 PolarHBondContact O-N 3.14Å; G443-I447 PolarHBondContact O-N 3.12Å
444	L	94.7	Very high	92	Very high	30 Å²	30	21.4 Å²	21.4	16%	0.157	12%	0.12	C	C	.	.	H	α-helix	trans	-67	-33.9	177.7	-59.8	-174.6	0	0	0	112.2	A441 D442 G446 I447 Y448 L482 L485 W527	A441-L444 WeakPolarHBondContact O-CB 3.38Å; A441-L444 PolarHBondContact O-N 3.26Å; A441-L444 VanDerWaalsContact O-N 3.07Å; D442-L444 VanDerWaalsContact C-N 3.26Å; D442-L444 PolarHBondContact O-N 3.1Å; L444-G446 VanDerWaalsContact C-N 3.3Å; L444-G446 PolarHBondContact O-N 3.17Å; L444-I447 HydrophobicContact CD2-CD1 4.25Å; L444-I447 PolarHBondContact O-N 3.08Å; L444-Y448 PolarHBondContact O-N 3.19Å; L444-L482 HydrophobicContact CB-CD1 4.33Å; L444-L482 HydrophobicContact CB-CG 4.16Å; L444-L482 HydrophobicContact CD1-CD1 4.09Å; L444-L482 HydrophobicContact CD2-CD1 4.11Å; L444-L482 HydrophobicContact CG-CD1 4.4Å; L444-L485 HydrophobicContact CD1-CD2 3.84Å; L444-L485 HydrophobicContact CD1-CG 4.12Å; L444-W527 HydrophobicContact CD1-CH2 4.06Å; L444-W527 HydrophobicContact CD1-CZ3 4.11Å
445	M	93.3	Very high	92.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-38.4	173	-171.8	54.8	57.5	0	0	111.9	D442 G443 Y448 L449 A483 S486 T487 L661 P662	D442-M445 WeakPolarHBondContact O-CB 3.42Å; D442-M445 PolarHBondContact O-N 2.91Å; G443-M445 VanDerWaalsContact C-N 3.34Å; G443-M445 PolarHBondContact O-N 3.05Å; M445-Y448 WeakPolarHBondContact O-CB 3.25Å; M445-Y448 PolarHBondContact O-N 3.37Å; M445-Y448 HydrophobicContact SD-CD1 3.59Å; M445-Y448 VanDerWaalsContact SD-CD1 3.59Å; M445-Y448 HydrophobicContact SD-CE1 4.16Å; M445-Y448 HydrophobicContact SD-CG 4.47Å; M445-L449 PolarHBondContact O-N 3.37Å; M445-A483 HydrophobicContact CE-CB 4.11Å; M445-S486 WeakPolarHBondContact CB-OG 3.4Å; M445-S486 PolarHBondContact N-OG 2.97Å; M445-T487 HydrophobicContact CE-CG2 3.61Å; M445-L661 HydrophobicContact CE-CD2 3.38Å; M445-L661 HydrophobicContact SD-CD2 3.71Å; M445-P662 HydrophobicContact CG-CB 3.83Å; M445-P662 HydrophobicContact CG-CG 4.15Å; M445-P662 HydrophobicContact SD-CB 4.39Å; M445-P662 HydrophobicContact SD-CG 4.04Å
446	G	93.8	Very high	92.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-38.7	176.4	0	0	0	0	0	113.3	S407 T410 G443 L444 F450	S407-G446 PolarHBondContact OG-O 3.15Å; T410-G446 WeakPolarHBondContact OG1-CA 3.23Å; G443-G446 PolarHBondContact O-N 3.14Å; L444-G446 VanDerWaalsContact C-N 3.3Å; L444-G446 PolarHBondContact O-N 3.17Å; G446-F450 WeakPolarHBondContact O-CB 3.49Å; G446-F450 PolarHBondContact O-N 3.19Å
447	I	94.9	Very high	92.8	Very high	82 Å²	82	25.1 Å²	25.1	42%	0.421	14%	0.138	S	C	.	.	H	α-helix	trans	-66.6	-42.8	173.9	-63.3	169.5	0	0	0	110.7	G443 L444 F450 M451 L482	G443-I447 PolarHBondContact O-N 3.12Å; L444-I447 HydrophobicContact CD2-CD1 4.25Å; L444-I447 PolarHBondContact O-N 3.08Å; I447-F450 WeakPolarHBondContact O-CB 3.21Å; I447-F450 PolarHBondContact O-N 3.41Å; I447-M451 VanDerWaalsContact O-CG 3.32Å; I447-M451 WeakPolarHBondContact O-CG 3.45Å; I447-M451 PolarHBondContact O-N 3.28Å; I447-L482 HydrophobicContact CB-CD2 4.15Å; I447-L482 HydrophobicContact CG2-CD2 3.78Å
448	Y	95.1	Very high	92.7	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-55.3	-53.5	173.9	159.3	-103.2	0	0	0	111.7	L444 M445 F450 M451 I452 I479 A483 V553 V657	L444-Y448 PolarHBondContact O-N 3.19Å; M445-Y448 WeakPolarHBondContact O-CB 3.25Å; M445-Y448 PolarHBondContact O-N 3.37Å; M445-Y448 HydrophobicContact SD-CD1 3.59Å; M445-Y448 VanDerWaalsContact SD-CD1 3.59Å; M445-Y448 HydrophobicContact SD-CE1 4.16Å; M445-Y448 HydrophobicContact SD-CG 4.47Å; Y448-F450 VanDerWaalsContact C-N 3.31Å; Y448-F450 PolarHBondContact O-N 3.02Å; Y448-M451 PolarHBondContact O-N 3.39Å; Y448-M451 VanDerWaalsContact O-N 3.15Å; Y448-I452 HydrophobicContact CD2-CG1 4.25Å; Y448-I452 HydrophobicContact CE2-CD1 4.1Å; Y448-I452 HydrophobicContact CE2-CG1 3.8Å; Y448-I452 PolarHBondContact O-N 3.37Å; Y448-I479 HydrophobicContact CD2-CG2 3.45Å; Y448-I479 VanDerWaalsContact CD2-CG2 3.45Å; Y448-I479 WeakPolarHBondContact CD2-O 3.48Å; Y448-I479 HydrophobicContact CE2-CG2 3.79Å; Y448-A483 HydrophobicContact CD1-CB 3.94Å; Y448-A483 HydrophobicContact CD2-CB 3.65Å; Y448-A483 HydrophobicContact CE1-CB 4.17Å; Y448-A483 HydrophobicContact CE2-CB 3.92Å; Y448-A483 HydrophobicContact CG-CB 3.67Å; Y448-V553 WeakPolarHBondContact OH-CG1 3.16Å; Y448-V553 PolarHBondContact OH-O 3.21Å; Y448-V657 WeakPolarHBondContact OH-CG1 3.27Å
449	L	93.9	Very high	92.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61.5	-37.5	177.9	-72.7	-177.8	0	0	0	112.7	V403 V406 M445 M451 I452 G453 P662	V403-L449 HydrophobicContact CG1-CB 4.38Å; V403-L449 WeakPolarHBondContact CG1-O 3.35Å; V406-L449 HydrophobicContact CB-CD1 4.14Å; V406-L449 HydrophobicContact CG1-CD1 3.78Å; M445-L449 PolarHBondContact O-N 3.37Å; L449-M451 VanDerWaalsContact C-N 3.31Å; L449-M451 PolarHBondContact O-N 3.13Å; L449-I452 PolarHBondContact O-N 2.93Å; L449-G453 PolarHBondContact O-N 3.36Å; L449-P662 HydrophobicContact CD1-CB 3.64Å; L449-P662 HydrophobicContact CD1-CG 3.87Å; L449-P662 HydrophobicContact CD2-CG 4.23Å; L449-P662 HydrophobicContact CG-CB 4.48Å; L449-P662 HydrophobicContact CG-CG 4.31Å
450	F	95	Very high	92.1	Very high	104 Å²	104	38.1 Å²	38.1	46%	0.456	19%	0.189	S	C	.	.	H	α-helix	trans	-58.2	-45.6	175.3	-175.5	-93.2	0	0	0	111.2	W404 S407 G446 I447 Y448 G453 A454	W404-F450 HydrophobicContact CH2-CD2 4.5Å; W404-F450 HydrophobicContact CH2-CE2 4.28Å; W404-F450 AromaticContact CZ3-CD2 3.82Å; W404-F450 HydrophobicContact CZ3-CD2 3.82Å; W404-F450 AromaticContact CZ3-CE2 3.68Å; W404-F450 HydrophobicContact CZ3-CE2 3.68Å; W404-F450 HydrophobicContact CZ3-CZ 4.48Å; S407-F450 WeakPolarHBondContact OG-CA 3.28Å; S407-F450 WeakPolarHBondContact OG-CB 3.49Å; S407-F450 PolarHBondContact OG-N 3.13Å; G446-F450 WeakPolarHBondContact O-CB 3.49Å; G446-F450 PolarHBondContact O-N 3.19Å; I447-F450 WeakPolarHBondContact O-CB 3.21Å; I447-F450 PolarHBondContact O-N 3.41Å; Y448-F450 VanDerWaalsContact C-N 3.31Å; Y448-F450 PolarHBondContact O-N 3.02Å; F450-G453 PolarHBondContact O-N 2.86Å; F450-A454 WeakPolarHBondContact O-CB 3.41Å; F450-A454 PolarHBondContact O-N 3.28Å
451	M	94.9	Very high	91.3	Very high	65 Å²	65	37.5 Å²	37.5	32%	0.32	19%	0.192	S	C	.	.	H	α-helix	trans	-66.6	-43.2	-179.9	-65.9	-64.8	-77.9	0	0	111.4	I447 Y448 L449 G453 A454 Y455 I479	I447-M451 VanDerWaalsContact O-CG 3.32Å; I447-M451 WeakPolarHBondContact O-CG 3.45Å; I447-M451 PolarHBondContact O-N 3.28Å; Y448-M451 PolarHBondContact O-N 3.39Å; Y448-M451 VanDerWaalsContact O-N 3.15Å; L449-M451 VanDerWaalsContact C-N 3.31Å; L449-M451 PolarHBondContact O-N 3.13Å; M451-G453 PolarHBondContact O-N 3.29Å; M451-A454 PolarHBondContact O-N 2.86Å; M451-Y455 HydrophobicContact CE-CE2 4.03Å; M451-Y455 VanDerWaalsContact O-CD2 3.27Å; M451-Y455 WeakPolarHBondContact O-CD2 3.31Å; M451-Y455 PolarHBondContact O-N 3.42Å; M451-I479 HydrophobicContact CB-CD1 3.86Å; M451-I479 HydrophobicContact CB-CG1 4.08Å; M451-I479 HydrophobicContact CB-CG2 4.4Å; M451-I479 HydrophobicContact CE-CD1 4.12Å; M451-I479 HydrophobicContact CG-CG1 4.46Å
452	I	92.8	Very high	90.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-45.6	174.5	-63.3	-60.6	0	0	0	111	L393 L394 Y448 L449 A454 Y455 D456 W470 I479	L393-I452 HydrophobicContact CD2-CG2 4.45Å; L394-I452 HydrophobicContact CD1-CG2 4.32Å; Y448-I452 HydrophobicContact CD2-CG1 4.25Å; Y448-I452 HydrophobicContact CE2-CD1 4.1Å; Y448-I452 HydrophobicContact CE2-CG1 3.8Å; Y448-I452 PolarHBondContact O-N 3.37Å; L449-I452 PolarHBondContact O-N 2.93Å; I452-A454 VanDerWaalsContact C-N 3.33Å; I452-A454 PolarHBondContact O-N 2.83Å; I452-Y455 PolarHBondContact O-N 2.9Å; I452-D456 PolarHBondContact O-N 2.75Å; I452-W470 HydrophobicContact CD1-CZ2 4.43Å; I452-I479 HydrophobicContact CD1-CG2 3.92Å; I452-I479 HydrophobicContact CG1-CG2 4.31Å
453	G	92.9	Very high	89.9	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-36.4	175.7	0	0	0	0	0	113.6	W404 L449 F450 M451 L457	W404-G453 VanDerWaalsContact CZ2-C 3.44Å; W404-G453 WeakPolarHBondContact CZ2-O 3.37Å; L449-G453 PolarHBondContact O-N 3.36Å; F450-G453 PolarHBondContact O-N 2.86Å; M451-G453 PolarHBondContact O-N 3.29Å; G453-L457 PolarHBondContact O-N 3.02Å
454	A	93	Very high	88.8	Confident	36 Å²	36	42.4 Å²	42.4	30%	0.298	21%	0.211	S	C	.	.	H	α-helix	trans	-69.9	-36.7	176.1	0	0	0	0	0	112.9	F450 M451 I452 K458	F450-A454 WeakPolarHBondContact O-CB 3.41Å; F450-A454 PolarHBondContact O-N 3.28Å; M451-A454 PolarHBondContact O-N 2.86Å; I452-A454 VanDerWaalsContact C-N 3.33Å; I452-A454 PolarHBondContact O-N 2.83Å; A454-K458 PolarHBondContact O-N 2.69Å; A454-K458 VanDerWaalsContact O-N 3.13Å
455	Y	91.8	Very high	87.7	Confident	30 Å²	30	49.7 Å²	49.7	12%	0.118	24%	0.237	C	C	.	.	H	α-helix	trans	-76.4	-31.1	175.6	-80.7	-76	0	0	0	113.1	M451 I452 K458 F459 W470 Q475 I479	M451-Y455 HydrophobicContact CE-CE2 4.03Å; M451-Y455 VanDerWaalsContact O-CD2 3.27Å; M451-Y455 WeakPolarHBondContact O-CD2 3.31Å; M451-Y455 PolarHBondContact O-N 3.42Å; I452-Y455 PolarHBondContact O-N 2.9Å; Y455-K458 HydrophobicContact CD1-CD 3.83Å; Y455-K458 HydrophobicContact CE1-CD 3.85Å; Y455-K458 PolarHBondContact O-N 2.9Å; Y455-K458 VanDerWaalsContact O-N 3.13Å; Y455-F459 HydrophobicContact CD1-CD2 4.35Å; Y455-F459 AromaticContact CD1-CE2 3.54Å; Y455-F459 HydrophobicContact CD1-CE2 3.54Å; Y455-F459 AromaticContact CD1-CZ 3.84Å; Y455-F459 HydrophobicContact CD1-CZ 3.84Å; Y455-F459 HydrophobicContact CE1-CE2 4.44Å; Y455-F459 HydrophobicContact CE1-CZ 4.35Å; Y455-F459 HydrophobicContact CG-CE2 4.25Å; Y455-F459 VanDerWaalsContact O-CD2 3.26Å; Y455-F459 WeakPolarHBondContact O-CD2 3.14Å; Y455-F459 PolarHBondContact O-N 2.9Å; Y455-W470 AromaticContact CD1-CE3 4Å; Y455-W470 HydrophobicContact CD1-CE3 4Å; Y455-W470 AromaticContact CD1-CH2 3.95Å; Y455-W470 HydrophobicContact CD1-CH2 3.95Å; Y455-W470 AromaticContact CD1-CZ3 3.52Å; Y455-W470 HydrophobicContact CD1-CZ3 3.52Å; Y455-W470 AromaticContact CD2-CH2 3.33Å; Y455-W470 HydrophobicContact CD2-CH2 3.33Å; Y455-W470 HydrophobicContact CD2-CZ2 4.27Å; Y455-W470 AromaticContact CD2-CZ3 3.67Å; Y455-W470 HydrophobicContact CD2-CZ3 3.67Å; Y455-W470 HydrophobicContact CE1-CE3 4.2Å; Y455-W470 HydrophobicContact CE1-CH2 4.29Å; Y455-W470 AromaticContact CE1-CZ3 3.59Å; Y455-W470 HydrophobicContact CE1-CZ3 3.59Å; Y455-W470 AromaticContact CE2-CH2 3.75Å; Y455-W470 HydrophobicContact CE2-CH2 3.75Å; Y455-W470 AromaticContact CE2-CZ3 3.75Å; Y455-W470 HydrophobicContact CE2-CZ3 3.75Å; Y455-W470 HydrophobicContact CG-CE3 4.32Å; Y455-W470 AromaticContact CG-CH2 3.47Å; Y455-W470 HydrophobicContact CG-CH2 3.47Å; Y455-W470 VanDerWaalsContact CG-CH2 3.47Å; Y455-W470 HydrophobicContact CG-CZ2 4.16Å; Y455-W470 AromaticContact CG-CZ3 3.57Å; Y455-W470 HydrophobicContact CG-CZ3 3.57Å; Y455-W470 AromaticContact CZ-CZ3 3.73Å; Y455-Q475 PolarHBondContact OH-OE1 2.97Å; Y455-Q475 VanDerWaalsContact OH-OE1 3.04Å; Y455-I479 HydrophobicContact CD2-CD1 4.19Å; Y455-I479 HydrophobicContact CE2-CD1 3.94Å
456	D	90.6	Very high	87.1	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.011	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-45.4	168	179.5	73.5	0	0	0	111.5	L393 L394 R400 I452 K458 R460	L393-D456 HydrophobicContact CB-CB 4.24Å; L393-D456 HydrophobicContact CD2-CB 4.23Å; L394-D456 WeakPolarHBondContact CB-OD1 3.21Å; L394-D456 HydrophobicContact CD1-CB 4.31Å; L394-D456 HydrophobicContact CG-CB 4.43Å; L394-D456 PolarHBondContact N-OD1 3.49Å; R400-D456 VanDerWaalsContact CD-OD2 3.31Å; R400-D456 WeakPolarHBondContact CD-OD2 3.33Å; I452-D456 PolarHBondContact O-N 2.75Å; D456-K458 VanDerWaalsContact C-N 3.28Å; D456-K458 PolarHBondContact O-N 3.22Å; D456-R460 PolarHBondContact O-N 2.84Å
457	L	90.2	Very high	86.2	Confident	89 Å²	89	53 Å²	53	47%	0.466	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-30.9	173	-71.8	-179.6	0	0	0	113.5	W404 G453	W404-L457 HydrophobicContact CH2-CD1 4.39Å; W404-L457 HydrophobicContact CZ2-CD1 3.61Å; W404-L457 HydrophobicContact CZ2-CG 4.25Å; G453-L457 PolarHBondContact O-N 3.02Å
458	K	89	Confident	85.1	Confident	135 Å²	135	51.6 Å²	51.6	59%	0.587	24%	0.244	S	C	*	.	H	α-helix	trans	-76	-37.3	-177.5	-174.5	-175.1	176.4	-173.3	0	113.2	A454 Y455 D456	A454-K458 PolarHBondContact O-N 2.69Å; A454-K458 VanDerWaalsContact O-N 3.13Å; Y455-K458 HydrophobicContact CD1-CD 3.83Å; Y455-K458 HydrophobicContact CE1-CD 3.85Å; Y455-K458 PolarHBondContact O-N 2.9Å; Y455-K458 VanDerWaalsContact O-N 3.13Å; D456-K458 VanDerWaalsContact C-N 3.28Å; D456-K458 PolarHBondContact O-N 3.22Å
459	F	85.3	Confident	84.5	Confident	19 Å²	19	54.8 Å²	54.8	8%	0.083	27%	0.271	C	S	.	.	S	Bend	trans	-99	9.2	-175.2	-59.8	-51	0	0	0	113.8	Y455 G461 E462 Y463 H466 W470	Y455-F459 HydrophobicContact CD1-CD2 4.35Å; Y455-F459 AromaticContact CD1-CE2 3.54Å; Y455-F459 HydrophobicContact CD1-CE2 3.54Å; Y455-F459 AromaticContact CD1-CZ 3.84Å; Y455-F459 HydrophobicContact CD1-CZ 3.84Å; Y455-F459 HydrophobicContact CE1-CE2 4.44Å; Y455-F459 HydrophobicContact CE1-CZ 4.35Å; Y455-F459 HydrophobicContact CG-CE2 4.25Å; Y455-F459 VanDerWaalsContact O-CD2 3.26Å; Y455-F459 WeakPolarHBondContact O-CD2 3.14Å; Y455-F459 PolarHBondContact O-N 2.9Å; F459-G461 PolarHBondContact O-N 2.94Å; F459-E462 CarbonylContact O-C 3.12Å; F459-E462 PolarHBondContact O-N 3.09Å; F459-E462 VanDerWaalsContact O-N 3.15Å; F459-Y463 HydrophobicContact CB-CD2 3.91Å; F459-Y463 HydrophobicContact CD2-CD2 4.22Å; F459-Y463 HydrophobicContact CD2-CE2 4.43Å; F459-Y463 HydrophobicContact CG-CD2 4.32Å; F459-Y463 PolarHBondContact O-N 2.88Å; F459-H466 HydrophobicContact CD1-CB 3.69Å; F459-H466 AromaticContact CD1-CG 3.89Å; F459-H466 HydrophobicContact CE1-CB 3.75Å; F459-H466 AromaticContact CE1-CG 3.96Å; F459-H466 HydrophobicContact CG-CB 4.36Å; F459-H466 HydrophobicContact CZ-CB 4.45Å; F459-W470 HydrophobicContact CE2-CB 4.03Å; F459-W470 AromaticContact CE2-CD2 3.77Å; F459-W470 HydrophobicContact CE2-CD2 3.77Å; F459-W470 AromaticContact CE2-CE3 3.81Å; F459-W470 HydrophobicContact CE2-CE3 3.81Å; F459-W470 AromaticContact CE2-CG 3.88Å; F459-W470 HydrophobicContact CE2-CG 3.88Å; F459-W470 HydrophobicContact CZ-CB 4.24Å; F459-W470 HydrophobicContact CZ-CD2 4.42Å; F459-W470 HydrophobicContact CZ-CE3 4.13Å; F459-W470 HydrophobicContact CZ-CG 4.49Å
460	R	82.7	Confident	84.2	Confident	134 Å²	134	55 Å²	55	51%	0.506	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	127.9	-174.7	-153.5	-176.8	-162.2	148.4	10	112.7	D392 D456 E462	D392-R460 WeakPolarHBondContact OD1-CA 3.36Å; D392-R460 WeakPolarHBondContact OD1-CG 3.32Å; D456-R460 PolarHBondContact O-N 2.84Å; R460-E462 VanDerWaalsContact C-N 3.25Å; R460-E462 PolarHBondContact O-N 2.76Å
461	G	76.1	Confident	83.5	Confident	41 Å²	41	50.5 Å²	50.5	42%	0.423	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-17.4	-178.3	0	0	0	0	0	115.9	E391 D392 F459	E391-G461 CarbonylContact O-C 3.54Å; E391-G461 WeakPolarHBondContact O-CA 3.41Å; E391-G461 PolarHBondContact O-N 2.82Å; D392-G461 PolarHBondContact OD1-N 2.64Å; F459-G461 PolarHBondContact O-N 2.94Å
462	E	77.3	Confident	83	Confident	104 Å²	104	51.3 Å²	51.3	49%	0.486	26%	0.257	S	S	.	.			trans	-131.8	22	-176.6	-73.6	-167.2	-142	0	0	113.1	E391 F459 R460 N464 R465	E391-E462 PolarHBondContact O-N 2.63Å; F459-E462 CarbonylContact O-C 3.12Å; F459-E462 PolarHBondContact O-N 3.09Å; F459-E462 VanDerWaalsContact O-N 3.15Å; R460-E462 VanDerWaalsContact C-N 3.25Å; R460-E462 PolarHBondContact O-N 2.76Å; E462-N464 PolarHBondContact O-N 2.83Å; E462-R465 WeakPolarHBondContact O-CB 3.36Å; E462-R465 PolarHBondContact O-N 3.35Å; E462-R465 VanDerWaalsContact O-N 3.14Å; E462-R465 WeakPolarHBondContact OE2-CD 3.48Å; E462-R465 IonicContact OE2-CZ 3.54Å; E462-R465 IonicContact OE2-NH1 3.98Å; E462-R465 PolarHBondContact OE2-NH1 3.37Å
463	Y	77.6	Confident	82.8	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-55.2	-45.5	-171.3	179	-112.5	0	0	0	113.9	F368 S388 E391 L393 F459 R465 H466 A467 G552	F368-Y463 HydrophobicContact CE1-CE1 4.29Å; S388-Y463 VanDerWaalsContact CB-CE1 3.44Å; S388-Y463 WeakPolarHBondContact OG-CE1 3.44Å; E391-Y463 VanDerWaalsContact O-CB 3.25Å; E391-Y463 WeakPolarHBondContact O-CB 3.4Å; E391-Y463 PolarHBondContact O-N 2.92Å; L393-Y463 HydrophobicContact CB-CD2 4.03Å; L393-Y463 HydrophobicContact CB-CE2 4.12Å; L393-Y463 HydrophobicContact CB-CG 4.46Å; L393-Y463 HydrophobicContact CD1-CD2 4.31Å; L393-Y463 HydrophobicContact CD1-CE1 4.34Å; L393-Y463 HydrophobicContact CD1-CE2 3.53Å; L393-Y463 HydrophobicContact CG-CE2 4.38Å; F459-Y463 HydrophobicContact CB-CD2 3.91Å; F459-Y463 HydrophobicContact CD2-CD2 4.22Å; F459-Y463 HydrophobicContact CD2-CE2 4.43Å; F459-Y463 HydrophobicContact CG-CD2 4.32Å; F459-Y463 PolarHBondContact O-N 2.88Å; Y463-R465 PolarHBondContact O-N 3.45Å; Y463-R465 VanDerWaalsContact O-N 3.12Å; Y463-H466 CarbonylContact O-C 3.5Å; Y463-H466 WeakPolarHBondContact O-CA 3.31Å; Y463-H466 PolarHBondContact O-N 3.43Å; Y463-A467 HydrophobicContact CD1-CB 4.17Å; Y463-A467 HydrophobicContact CE1-CB 3.68Å; Y463-A467 HydrophobicContact CE2-CB 4.17Å; Y463-A467 PolarHBondContact O-N 3.49Å; Y463-G552 WeakPolarHBondContact OH-CA 3.39Å
464	N	70.8	Confident	82.6	Confident	14 Å²	14	56.4 Å²	56.4	8%	0.075	29%	0.289	C	S	.	.	H	α-helix	trans	-56.3	-33.2	-178.4	179.8	50.8	0	0	0	113.4	F390 E462 H466	F390-N464 HydrophobicContact CD1-CB 4.09Å; F390-N464 HydrophobicContact CD2-CB 3.89Å; F390-N464 HydrophobicContact CE1-CB 4.21Å; F390-N464 HydrophobicContact CE2-CB 4.03Å; F390-N464 WeakPolarHBondContact CE2-ND2 3.41Å; F390-N464 HydrophobicContact CG-CB 3.94Å; F390-N464 HydrophobicContact CZ-CB 4.2Å; F390-N464 WeakPolarHBondContact CZ-ND2 3.45Å; F390-N464 VanDerWaalsContact O-CB 3.27Å; F390-N464 WeakPolarHBondContact O-CB 3.35Å; F390-N464 PolarHBondContact O-N 3.21Å; E462-N464 PolarHBondContact O-N 2.83Å; N464-H466 PolarHBondContact O-N 3.08Å
465	R	71.1	Confident	82.6	Confident	182 Å²	182	59.2 Å²	59.2	69%	0.687	30%	0.296	S	S	*	.	H	α-helix	trans	-64.4	-30.7	176.1	-173	-176.8	-176.1	-179.7	3.2	112.6	E462 Y463	E462-R465 WeakPolarHBondContact O-CB 3.36Å; E462-R465 PolarHBondContact O-N 3.35Å; E462-R465 VanDerWaalsContact O-N 3.14Å; E462-R465 WeakPolarHBondContact OE2-CD 3.48Å; E462-R465 IonicContact OE2-CZ 3.54Å; E462-R465 IonicContact OE2-NH1 3.98Å; E462-R465 PolarHBondContact OE2-NH1 3.37Å; Y463-R465 PolarHBondContact O-N 3.45Å; Y463-R465 VanDerWaalsContact O-N 3.12Å
466	H	80.1	Confident	82.5	Confident	69 Å²	69	57.8 Å²	57.8	32%	0.319	29%	0.291	S	S	.	.	H	α-helix	trans	-106.4	-13.4	-175.6	-68.4	-67.2	0	0	0	113.9	F459 Y463 N464 Q468 A469 W470	F459-H466 HydrophobicContact CD1-CB 3.69Å; F459-H466 AromaticContact CD1-CG 3.89Å; F459-H466 HydrophobicContact CE1-CB 3.75Å; F459-H466 AromaticContact CE1-CG 3.96Å; F459-H466 HydrophobicContact CG-CB 4.36Å; F459-H466 HydrophobicContact CZ-CB 4.45Å; Y463-H466 CarbonylContact O-C 3.5Å; Y463-H466 WeakPolarHBondContact O-CA 3.31Å; Y463-H466 PolarHBondContact O-N 3.43Å; N464-H466 PolarHBondContact O-N 3.08Å; H466-Q468 PolarHBondContact O-N 3.47Å; H466-A469 CarbonylContact O-C 3.46Å; H466-A469 PolarHBondContact O-N 3.45Å; H466-A469 VanDerWaalsContact O-N 3.11Å; H466-W470 WeakPolarHBondContact O-CB 3.4Å; H466-W470 PolarHBondContact O-N 3.24Å
467	A	74.3	Confident	82.5	Confident	2 Å²	2	58.4 Å²	58.4	2%	0.017	29%	0.294	C	S	.	.	H	α-helix	trans	-52.9	-52	-172.2	0	0	0	0	0	113	Y463 W470 M471	Y463-A467 HydrophobicContact CD1-CB 4.17Å; Y463-A467 HydrophobicContact CE1-CB 3.68Å; Y463-A467 HydrophobicContact CE2-CB 4.17Å; Y463-A467 PolarHBondContact O-N 3.49Å; A467-W470 PolarHBondContact O-N 3.08Å; A467-M471 WeakPolarHBondContact O-CB 3.08Å; A467-M471 WeakPolarHBondContact O-CG 3.08Å; A467-M471 PolarHBondContact O-N 3.47Å
468	Q	73.6	Confident	82.7	Confident	53 Å²	53	57.7 Å²	57.7	25%	0.248	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-49	177.3	-170.2	66	33.5	0	0	111.7	H466 W470 M471 D472	H466-Q468 PolarHBondContact O-N 3.47Å; Q468-W470 PolarHBondContact O-N 3.08Å; Q468-M471 PolarHBondContact O-N 3.34Å; Q468-D472 PolarHBondContact NE2-OD2 3.47Å; Q468-D472 WeakPolarHBondContact O-CB 3.3Å; Q468-D472 PolarHBondContact O-N 3.14Å
469	A	81.6	Confident	82.9	Confident	68 Å²	68	51.8 Å²	51.8	56%	0.562	27%	0.267	S	S	*	.	H	α-helix	trans	-66	-26.8	-179.4	0	0	0	0	0	113	H466 S473	H466-A469 CarbonylContact O-C 3.46Å; H466-A469 PolarHBondContact O-N 3.45Å; H466-A469 VanDerWaalsContact O-N 3.11Å; A469-S473 WeakPolarHBondContact O-CB 3.41Å; A469-S473 PolarHBondContact O-N 3.41Å
470	W	86.8	Confident	83.2	Confident	5 Å²	5	50.9 Å²	50.9	2%	0.019	26%	0.263	C	S	.	.	H	α-helix	trans	-74.2	-51.5	173.6	167.3	-115.8	0	0	0	111.4	I452 Y455 F459 H466 A467 Q468 D472 S473 Q475 C476 I479 G552	I452-W470 HydrophobicContact CD1-CZ2 4.43Å; Y455-W470 AromaticContact CD1-CE3 4Å; Y455-W470 HydrophobicContact CD1-CE3 4Å; Y455-W470 AromaticContact CD1-CH2 3.95Å; Y455-W470 HydrophobicContact CD1-CH2 3.95Å; Y455-W470 AromaticContact CD1-CZ3 3.52Å; Y455-W470 HydrophobicContact CD1-CZ3 3.52Å; Y455-W470 AromaticContact CD2-CH2 3.33Å; Y455-W470 HydrophobicContact CD2-CH2 3.33Å; Y455-W470 HydrophobicContact CD2-CZ2 4.27Å; Y455-W470 AromaticContact CD2-CZ3 3.67Å; Y455-W470 HydrophobicContact CD2-CZ3 3.67Å; Y455-W470 HydrophobicContact CE1-CE3 4.2Å; Y455-W470 HydrophobicContact CE1-CH2 4.29Å; Y455-W470 AromaticContact CE1-CZ3 3.59Å; Y455-W470 HydrophobicContact CE1-CZ3 3.59Å; Y455-W470 AromaticContact CE2-CH2 3.75Å; Y455-W470 HydrophobicContact CE2-CH2 3.75Å; Y455-W470 AromaticContact CE2-CZ3 3.75Å; Y455-W470 HydrophobicContact CE2-CZ3 3.75Å; Y455-W470 HydrophobicContact CG-CE3 4.32Å; Y455-W470 AromaticContact CG-CH2 3.47Å; Y455-W470 HydrophobicContact CG-CH2 3.47Å; Y455-W470 VanDerWaalsContact CG-CH2 3.47Å; Y455-W470 HydrophobicContact CG-CZ2 4.16Å; Y455-W470 AromaticContact CG-CZ3 3.57Å; Y455-W470 HydrophobicContact CG-CZ3 3.57Å; Y455-W470 AromaticContact CZ-CZ3 3.73Å; F459-W470 HydrophobicContact CE2-CB 4.03Å; F459-W470 AromaticContact CE2-CD2 3.77Å; F459-W470 HydrophobicContact CE2-CD2 3.77Å; F459-W470 AromaticContact CE2-CE3 3.81Å; F459-W470 HydrophobicContact CE2-CE3 3.81Å; F459-W470 AromaticContact CE2-CG 3.88Å; F459-W470 HydrophobicContact CE2-CG 3.88Å; F459-W470 HydrophobicContact CZ-CB 4.24Å; F459-W470 HydrophobicContact CZ-CD2 4.42Å; F459-W470 HydrophobicContact CZ-CE3 4.13Å; F459-W470 HydrophobicContact CZ-CG 4.49Å; H466-W470 WeakPolarHBondContact O-CB 3.4Å; H466-W470 PolarHBondContact O-N 3.24Å; A467-W470 PolarHBondContact O-N 3.08Å; Q468-W470 PolarHBondContact O-N 3.08Å; W470-D472 PolarHBondContact O-N 3.45Å; W470-S473 WeakPolarHBondContact O-CB 3.26Å; W470-S473 PolarHBondContact O-N 2.94Å; W470-S473 PolarHBondContact O-OG 2.95Å; W470-Q475 HydrophobicContact CZ3-CB 4.05Å; W470-C476 HydrophobicContact CD2-CB 4.28Å; W470-C476 HydrophobicContact CE3-CB 4.42Å; W470-C476 HydrophobicContact CH2-CB 4.35Å; W470-C476 HydrophobicContact CZ2-CB 4.18Å; W470-C476 HydrophobicContact CZ3-CB 4.46Å; W470-C476 WeakPolarHBondContact O-CB 3.35Å; W470-I479 HydrophobicContact CH2-CD1 3.72Å; W470-I479 HydrophobicContact CZ3-CD1 4.49Å; W470-G552 PolarHBondContact NE1-O 3.41Å
471	M	82.1	Confident	83.7	Confident	9 Å²	9	44.5 Å²	44.5	4%	0.044	24%	0.239	C	C	.	.	H	α-helix	trans	-65.3	-35.5	-179.1	-72	-172	-54.9	0	0	112.7	Q369 A467 Q468 S473 N546 G549	Q369-M471 HydrophobicContact CB-CE 4.11Å; A467-M471 WeakPolarHBondContact O-CB 3.08Å; A467-M471 WeakPolarHBondContact O-CG 3.08Å; A467-M471 PolarHBondContact O-N 3.47Å; Q468-M471 PolarHBondContact O-N 3.34Å; M471-S473 VanDerWaalsContact C-N 3.27Å; M471-S473 PolarHBondContact O-N 3.03Å; M471-N546 PolarHBondContact O-ND2 2.95Å; M471-G549 WeakPolarHBondContact CB-O 3.35Å; M471-G549 WeakPolarHBondContact O-CA 3.32Å
472	D	83.2	Confident	84.5	Confident	82 Å²	82	44.5 Å²	44.5	44%	0.439	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.8	173.2	-67.1	-26.1	0	0	0	113.6	Q468 W470 N546	Q468-D472 PolarHBondContact NE2-OD2 3.47Å; Q468-D472 WeakPolarHBondContact O-CB 3.3Å; Q468-D472 PolarHBondContact O-N 3.14Å; W470-D472 PolarHBondContact O-N 3.45Å; D472-N546 PolarHBondContact OD1-ND2 3.22Å
473	S	88.9	Confident	85.3	Confident	19 Å²	19	39.6 Å²	39.6	13%	0.133	21%	0.206	C	C	.	.	S	Bend	trans	-72.3	145.5	-176.5	77.6	0	0	0	0	113	A469 W470 M471 Q475 C476 Q477	A469-S473 WeakPolarHBondContact O-CB 3.41Å; A469-S473 PolarHBondContact O-N 3.41Å; W470-S473 WeakPolarHBondContact O-CB 3.26Å; W470-S473 PolarHBondContact O-N 2.94Å; W470-S473 PolarHBondContact O-OG 2.95Å; M471-S473 VanDerWaalsContact C-N 3.27Å; M471-S473 PolarHBondContact O-N 3.03Å; S473-Q475 PolarHBondContact O-N 3.21Å; S473-Q475 PolarHBondContact OG-N 2.76Å; S473-C476 PolarHBondContact O-N 3.38Å; S473-C476 PolarHBondContact OG-N 3.4Å; S473-Q477 WeakPolarHBondContact O-CG 3.45Å; S473-Q477 PolarHBondContact O-N 3.22Å
474	T	88.8	Confident	85.9	Confident	90 Å²	90	39.5 Å²	39.5	55%	0.552	21%	0.206	S	C	*	.	H	α-helix	trans	-62.5	-21.4	167.2	53.8	0	0	0	0	112.5	V478	T474-V478 WeakPolarHBondContact O-CB 3.29Å; T474-V478 VanDerWaalsContact O-CG2 3.28Å; T474-V478 WeakPolarHBondContact O-CG2 3.49Å; T474-V478 PolarHBondContact O-N 3.03Å
475	Q	92.1	Very high	87.1	Confident	95 Å²	95	39.3 Å²	39.3	44%	0.444	21%	0.205	S	C	.	.	H	α-helix	trans	-66.9	-52.2	176.6	-63.6	175.8	-21.8	0	0	110.2	Y455 W470 S473 Q477 V478 I479	Y455-Q475 PolarHBondContact OH-OE1 2.97Å; Y455-Q475 VanDerWaalsContact OH-OE1 3.04Å; W470-Q475 HydrophobicContact CZ3-CB 4.05Å; S473-Q475 PolarHBondContact O-N 3.21Å; S473-Q475 PolarHBondContact OG-N 2.76Å; Q475-Q477 PolarHBondContact O-N 3.02Å; Q475-V478 PolarHBondContact O-N 2.9Å; Q475-I479 WeakPolarHBondContact O-CB 3.33Å; Q475-I479 WeakPolarHBondContact O-CD1 3.47Å; Q475-I479 WeakPolarHBondContact O-CG1 3.37Å; Q475-I479 PolarHBondContact O-N 3.22Å
476	C	90.9	Very high	88.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.2	-47.8	174.1	179.1	0	0	0	0	111.4	W470 S473 V478 I479 G480 C554	W470-C476 HydrophobicContact CD2-CB 4.28Å; W470-C476 HydrophobicContact CE3-CB 4.42Å; W470-C476 HydrophobicContact CH2-CB 4.35Å; W470-C476 HydrophobicContact CZ2-CB 4.18Å; W470-C476 HydrophobicContact CZ3-CB 4.46Å; W470-C476 WeakPolarHBondContact O-CB 3.35Å; S473-C476 PolarHBondContact O-N 3.38Å; S473-C476 PolarHBondContact OG-N 3.4Å; C476-V478 PolarHBondContact O-N 3.4Å; C476-I479 PolarHBondContact O-N 2.91Å; C476-G480 PolarHBondContact O-N 2.98Å; C476-C554 WeakPolarHBondContact CA-SG 3.23Å; C476-C554 HydrophobicContact CB-CB 4.18Å; C476-C554 WeakPolarHBondContact CB-SG 3.4Å; C476-C554 WeakPolarHBondContact O-CB 3.38Å; C476-C554 WeakPolarHBondContact SG-CB 3.28Å; C476-C554 CovalentContact SG-SG 2.03Å; C476-C554 PolarHBondContact SG-SG 2.96Å
477	Q	90.9	Very high	88.7	Confident	15 Å²	15	28 Å²	28	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-58.4	-44.7	178.4	-66.3	170.1	2.1	0	0	113.1	S473 Q475 G480 S481 L538 N546	S473-Q477 WeakPolarHBondContact O-CG 3.45Å; S473-Q477 PolarHBondContact O-N 3.22Å; Q475-Q477 PolarHBondContact O-N 3.02Å; Q477-G480 PolarHBondContact O-N 3.26Å; Q477-S481 PolarHBondContact O-N 2.87Å; Q477-L538 HydrophobicContact CB-CD2 3.76Å; Q477-L538 HydrophobicContact CB-CG 4.29Å; Q477-N546 PolarHBondContact NE2-OD1 3.03Å
478	V	93	Very high	89.5	Confident	74 Å²	74	27.9 Å²	27.9	45%	0.448	16%	0.16	S	C	.	.	H	α-helix	trans	-69.8	-40.8	178.8	169.5	0	0	0	0	111.4	T474 Q475 C476 G480 S481 L482 L538	T474-V478 WeakPolarHBondContact O-CB 3.29Å; T474-V478 VanDerWaalsContact O-CG2 3.28Å; T474-V478 WeakPolarHBondContact O-CG2 3.49Å; T474-V478 PolarHBondContact O-N 3.03Å; Q475-V478 PolarHBondContact O-N 2.9Å; C476-V478 PolarHBondContact O-N 3.4Å; V478-G480 VanDerWaalsContact C-N 3.33Å; V478-G480 PolarHBondContact O-N 3.49Å; V478-S481 WeakPolarHBondContact CA-OG 3.41Å; V478-S481 PolarHBondContact O-N 2.98Å; V478-S481 PolarHBondContact O-OG 2.96Å; V478-L482 PolarHBondContact O-N 3.08Å; V478-L538 HydrophobicContact CG2-CD2 4.02Å
479	I	93.5	Very high	90.5	Very high	10 Å²	10	25.4 Å²	25.4	5%	0.051	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-44.8	175.4	-72.1	163.3	0	0	0	110.3	Y448 M451 I452 Y455 W470 Q475 C476 L482 A483	Y448-I479 HydrophobicContact CD2-CG2 3.45Å; Y448-I479 VanDerWaalsContact CD2-CG2 3.45Å; Y448-I479 WeakPolarHBondContact CD2-O 3.48Å; Y448-I479 HydrophobicContact CE2-CG2 3.79Å; M451-I479 HydrophobicContact CB-CD1 3.86Å; M451-I479 HydrophobicContact CB-CG1 4.08Å; M451-I479 HydrophobicContact CB-CG2 4.4Å; M451-I479 HydrophobicContact CE-CD1 4.12Å; M451-I479 HydrophobicContact CG-CG1 4.46Å; I452-I479 HydrophobicContact CD1-CG2 3.92Å; I452-I479 HydrophobicContact CG1-CG2 4.31Å; Y455-I479 HydrophobicContact CD2-CD1 4.19Å; Y455-I479 HydrophobicContact CE2-CD1 3.94Å; W470-I479 HydrophobicContact CH2-CD1 3.72Å; W470-I479 HydrophobicContact CZ3-CD1 4.49Å; Q475-I479 WeakPolarHBondContact O-CB 3.33Å; Q475-I479 WeakPolarHBondContact O-CD1 3.47Å; Q475-I479 WeakPolarHBondContact O-CG1 3.37Å; Q475-I479 PolarHBondContact O-N 3.22Å; C476-I479 PolarHBondContact O-N 2.91Å; I479-L482 WeakPolarHBondContact O-CB 3.46Å; I479-L482 PolarHBondContact O-N 3.08Å; I479-A483 PolarHBondContact O-N 3.43Å
480	G	91.8	Very high	90.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-44.5	174.1	0	0	0	0	0	114.3	C476 Q477 V478 L482 A483 M484 C554	C476-G480 PolarHBondContact O-N 2.98Å; Q477-G480 PolarHBondContact O-N 3.26Å; V478-G480 VanDerWaalsContact C-N 3.33Å; V478-G480 PolarHBondContact O-N 3.49Å; G480-L482 VanDerWaalsContact C-N 3.26Å; G480-L482 PolarHBondContact O-N 3.37Å; G480-A483 PolarHBondContact O-N 3.09Å; G480-M484 PolarHBondContact O-N 3.31Å; G480-M484 VanDerWaalsContact O-N 3.12Å; G480-C554 WeakPolarHBondContact CA-O 3.39Å
481	S	92.9	Very high	91.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-34.5	175.5	70.7	0	0	0	0	112.6	Q477 V478 M484 L485 A534 F535	Q477-S481 PolarHBondContact O-N 2.87Å; V478-S481 WeakPolarHBondContact CA-OG 3.41Å; V478-S481 PolarHBondContact O-N 2.98Å; V478-S481 PolarHBondContact O-OG 2.96Å; S481-M484 PolarHBondContact O-N 3.11Å; S481-L485 WeakPolarHBondContact O-CB 3.32Å; S481-L485 PolarHBondContact O-N 3.12Å; S481-A534 VanDerWaalsContact CB-O 3.3Å; S481-A534 WeakPolarHBondContact CB-O 3.3Å; S481-A534 WeakPolarHBondContact O-CB 3.44Å; S481-F535 VanDerWaalsContact OG-CE1 3.29Å; S481-F535 WeakPolarHBondContact OG-CE1 3.41Å; S481-F535 WeakPolarHBondContact OG-CZ 3.32Å
482	L	93.7	Very high	91.6	Very high	42 Å²	42	23.8 Å²	23.8	22%	0.22	13%	0.132	C	C	.	.	H	α-helix	trans	-66.7	-39.3	178.7	-164.5	70.1	0	0	0	112.1	L444 I447 V478 I479 G480 S486	L444-L482 HydrophobicContact CB-CD1 4.33Å; L444-L482 HydrophobicContact CB-CG 4.16Å; L444-L482 HydrophobicContact CD1-CD1 4.09Å; L444-L482 HydrophobicContact CD2-CD1 4.11Å; L444-L482 HydrophobicContact CG-CD1 4.4Å; I447-L482 HydrophobicContact CB-CD2 4.15Å; I447-L482 HydrophobicContact CG2-CD2 3.78Å; V478-L482 PolarHBondContact O-N 3.08Å; I479-L482 WeakPolarHBondContact O-CB 3.46Å; I479-L482 PolarHBondContact O-N 3.08Å; G480-L482 VanDerWaalsContact C-N 3.26Å; G480-L482 PolarHBondContact O-N 3.37Å; L482-S486 WeakPolarHBondContact O-CB 3.46Å; L482-S486 PolarHBondContact O-N 2.88Å
483	A	92.9	Very high	91.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65	-45.2	173.9	0	0	0	0	0	111.9	M445 Y448 I479 G480 S486 T487 F555	M445-A483 HydrophobicContact CE-CB 4.11Å; Y448-A483 HydrophobicContact CD1-CB 3.94Å; Y448-A483 HydrophobicContact CD2-CB 3.65Å; Y448-A483 HydrophobicContact CE1-CB 4.17Å; Y448-A483 HydrophobicContact CE2-CB 3.92Å; Y448-A483 HydrophobicContact CG-CB 3.67Å; I479-A483 PolarHBondContact O-N 3.43Å; G480-A483 PolarHBondContact O-N 3.09Å; A483-S486 WeakPolarHBondContact O-CB 3.32Å; A483-S486 PolarHBondContact O-N 3.2Å; A483-T487 PolarHBondContact O-N 3.18Å; A483-T487 PolarHBondContact O-OG1 2.96Å; A483-F555 HydrophobicContact CB-CD2 3.63Å; A483-F555 HydrophobicContact CB-CE2 3.76Å
484	M	92.1	Very high	91.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-39.7	176.9	-178.9	167.5	-78.8	0	0	112.3	G480 S481 S486 T487 E488 V533 F547 Y548 P556 F575	G480-M484 PolarHBondContact O-N 3.31Å; G480-M484 VanDerWaalsContact O-N 3.12Å; S481-M484 PolarHBondContact O-N 3.11Å; M484-S486 VanDerWaalsContact C-N 3.29Å; M484-S486 PolarHBondContact O-N 3.19Å; M484-T487 PolarHBondContact O-N 3.23Å; M484-T487 PolarHBondContact O-OG1 3.1Å; M484-E488 HydrophobicContact CG-CG 4.15Å; M484-E488 WeakPolarHBondContact O-CB 3.43Å; M484-E488 WeakPolarHBondContact O-CG 3.38Å; M484-E488 PolarHBondContact O-N 3.04Å; M484-E488 VanDerWaalsContact O-N 3.14Å; M484-V533 HydrophobicContact SD-CG1 4.42Å; M484-F547 HydrophobicContact CE-CE1 4.22Å; M484-Y548 HydrophobicContact CB-CE1 4.25Å; M484-Y548 HydrophobicContact CE-CE1 4.32Å; M484-Y548 HydrophobicContact SD-CE1 4.21Å; M484-Y548 PolarHBondContact SD-OH 3.15Å; M484-P556 HydrophobicContact CE-CG 3.65Å; M484-F575 HydrophobicContact CE-CE1 4.42Å; M484-F575 HydrophobicContact CE-CE2 3.65Å; M484-F575 HydrophobicContact CE-CZ 3.47Å; M484-F575 VanDerWaalsContact CE-CZ 3.47Å
485	L	94.7	Very high	91.9	Very high	11 Å²	11	15.5 Å²	15.5	6%	0.058	8%	0.083	C	C	.	.	H	α-helix	trans	-58.7	-44.1	173.3	-179.6	61.1	0	0	0	111.1	L444 S481 V489 W527 G530 F531 A534 F535	L444-L485 HydrophobicContact CD1-CD2 3.84Å; L444-L485 HydrophobicContact CD1-CG 4.12Å; S481-L485 WeakPolarHBondContact O-CB 3.32Å; S481-L485 PolarHBondContact O-N 3.12Å; L485-V489 HydrophobicContact CD1-CG2 3.71Å; L485-V489 HydrophobicContact CG-CG2 4.45Å; L485-V489 WeakPolarHBondContact O-CB 3.24Å; L485-V489 WeakPolarHBondContact O-CG2 3.34Å; L485-V489 PolarHBondContact O-N 2.03Å; L485-V489 VanDerWaalsContact O-N 3.15Å; L485-W527 HydrophobicContact CD2-CZ3 4.25Å; L485-W527 HydrophobicContact CG-CZ3 4.46Å; L485-G530 WeakPolarHBondContact CD1-O 3.49Å; L485-F531 HydrophobicContact CD1-CB 4.44Å; L485-A534 HydrophobicContact CB-CB 3.65Å; L485-A534 HydrophobicContact CD1-CB 4.25Å; L485-F535 HydrophobicContact CD2-CE2 4.37Å
486	S	93.7	Very high	91.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.5	-52.2	178.8	-172.4	0	0	0	0	112.1	A441 M445 L482 A483 M484 S490	A441-S486 WeakPolarHBondContact O-CB 3.25Å; A441-S486 PolarHBondContact O-OG 3.34Å; M445-S486 WeakPolarHBondContact CB-OG 3.4Å; M445-S486 PolarHBondContact N-OG 2.97Å; L482-S486 WeakPolarHBondContact O-CB 3.46Å; L482-S486 PolarHBondContact O-N 2.88Å; A483-S486 WeakPolarHBondContact O-CB 3.32Å; A483-S486 PolarHBondContact O-N 3.2Å; M484-S486 VanDerWaalsContact C-N 3.29Å; M484-S486 PolarHBondContact O-N 3.19Å; S486-S490 VanDerWaalsContact O-CB 3.31Å; S486-S490 WeakPolarHBondContact O-CB 3.18Å; S486-S490 PolarHBondContact O-N 2.98Å; S486-S490 PolarHBondContact O-OG 3.39Å
487	T	90.8	Very high	91.5	Very high	12 Å²	12	12.4 Å²	12.4	7%	0.074	7%	0.068	C	C	.	.	H	α-helix	trans	-64.6	-50	-176.2	54	0	0	0	0	112.5	M445 A483 M484 S490 V491 L661	M445-T487 HydrophobicContact CE-CG2 3.61Å; A483-T487 PolarHBondContact O-N 3.18Å; A483-T487 PolarHBondContact O-OG1 2.96Å; M484-T487 PolarHBondContact O-N 3.23Å; M484-T487 PolarHBondContact O-OG1 3.1Å; T487-S490 PolarHBondContact O-N 3.25Å; T487-V491 PolarHBondContact O-N 3.06Å; T487-L661 HydrophobicContact CG2-CD1 4.01Å; T487-L661 HydrophobicContact CG2-CD2 3.69Å; T487-L661 HydrophobicContact CG2-CG 3.92Å
488	E	91.4	Very high	91.2	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-69.8	-39.7	-173.6	-61.8	-59	124.6	0	0	111.5	M484 L492 V533 I574 N579	M484-E488 HydrophobicContact CG-CG 4.15Å; M484-E488 WeakPolarHBondContact O-CB 3.43Å; M484-E488 WeakPolarHBondContact O-CG 3.38Å; M484-E488 PolarHBondContact O-N 3.04Å; M484-E488 VanDerWaalsContact O-N 3.14Å; E488-L492 WeakPolarHBondContact O-CB 3.38Å; E488-L492 VanDerWaalsContact O-CG 3.3Å; E488-L492 WeakPolarHBondContact O-CG 3.46Å; E488-L492 PolarHBondContact O-N 3.04Å; E488-L492 VanDerWaalsContact O-N 3.09Å; E488-V533 HydrophobicContact CG-CG1 4.3Å; E488-I574 HydrophobicContact CG-CG2 3.96Å; E488-I574 WeakPolarHBondContact OE2-CG2 3.36Å; E488-N579 PolarHBondContact OE1-ND2 2.8Å; E488-N579 PolarHBondContact OE2-ND2 2.92Å
489	V	94.1	Very high	90.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.8	-40.9	174.6	173.6	0	0	0	0	110.9	A441 L485 L492 L493 I526 W527	A441-V489 HydrophobicContact CB-CB 4.2Å; A441-V489 HydrophobicContact CB-CG1 3.77Å; L485-V489 HydrophobicContact CD1-CG2 3.71Å; L485-V489 HydrophobicContact CG-CG2 4.45Å; L485-V489 WeakPolarHBondContact O-CB 3.24Å; L485-V489 WeakPolarHBondContact O-CG2 3.34Å; L485-V489 PolarHBondContact O-N 2.03Å; L485-V489 VanDerWaalsContact O-N 3.15Å; V489-L492 PolarHBondContact O-N 3.28Å; V489-L493 HydrophobicContact CG1-CD1 3.64Å; V489-L493 HydrophobicContact CG1-CG 4.02Å; V489-L493 VanDerWaalsContact O-CB 3.31Å; V489-L493 WeakPolarHBondContact O-CB 3.45Å; V489-L493 WeakPolarHBondContact O-CG 3.45Å; V489-L493 PolarHBondContact O-N 2.6Å; V489-I526 HydrophobicContact CG1-CG2 4.26Å; V489-W527 HydrophobicContact CG1-CD2 4.23Å; V489-W527 HydrophobicContact CG1-CZ2 4.26Å
490	S	91.3	Very high	90.4	Very high	7 Å²	7	11.2 Å²	11.2	5%	0.049	6%	0.059	C	C	.	.	H	α-helix	trans	-61.2	-44.6	177	-79.5	0	0	0	0	112.3	L438 A441 D442 S486 T487 L493 L494	L438-S490 WeakPolarHBondContact CD1-OG 3.48Å; A441-S490 WeakPolarHBondContact CB-OG 3.4Å; D442-S490 PolarHBondContact OD1-OG 3.34Å; S486-S490 VanDerWaalsContact O-CB 3.31Å; S486-S490 WeakPolarHBondContact O-CB 3.18Å; S486-S490 PolarHBondContact O-N 2.98Å; S486-S490 PolarHBondContact O-OG 3.39Å; T487-S490 PolarHBondContact O-N 3.25Å; S490-L493 PolarHBondContact O-N 3.44Å; S490-L494 WeakPolarHBondContact O-CB 3.46Å; S490-L494 WeakPolarHBondContact O-CG 3.34Å; S490-L494 PolarHBondContact O-N 3.22Å
491	V	90	Very high	89.8	Confident	6 Å²	6	11.6 Å²	11.6	4%	0.036	6%	0.061	C	C	.	.	H	α-helix	trans	-65	-41.5	177.3	174.4	0	0	0	0	112.2	T487 L494 T495 N579 A582 W632	T487-V491 PolarHBondContact O-N 3.06Å; V491-L494 PolarHBondContact O-N 2.9Å; V491-T495 WeakPolarHBondContact O-CB 3.45Å; V491-T495 PolarHBondContact O-N 3.06Å; V491-T495 PolarHBondContact O-OG1 2.89Å; V491-N579 WeakPolarHBondContact CG1-OD1 3.41Å; V491-A582 HydrophobicContact CG1-CB 3.58Å; V491-W632 HydrophobicContact CG2-CZ2 3.47Å; V491-W632 VanDerWaalsContact CG2-CZ2 3.47Å
492	L	92.1	Very high	89.3	Confident	35 Å²	35	13.1 Å²	13.1	18%	0.183	7%	0.067	C	C	.	.	H	α-helix	trans	-67.1	-39	177	-71.1	172	0	0	0	112.4	E488 V489 T495 Y496 I526 F529 L578	E488-L492 WeakPolarHBondContact O-CB 3.38Å; E488-L492 VanDerWaalsContact O-CG 3.3Å; E488-L492 WeakPolarHBondContact O-CG 3.46Å; E488-L492 PolarHBondContact O-N 3.04Å; E488-L492 VanDerWaalsContact O-N 3.09Å; V489-L492 PolarHBondContact O-N 3.28Å; L492-T495 PolarHBondContact O-N 3.01Å; L492-Y496 PolarHBondContact O-N 2.99Å; L492-I526 HydrophobicContact CB-CG2 3.65Å; L492-I526 HydrophobicContact CD1-CG2 4.27Å; L492-F529 HydrophobicContact CD1-CD1 3.61Å; L492-F529 HydrophobicContact CD1-CE1 3.93Å; L492-L578 HydrophobicContact CD2-CD2 4.09Å; L492-L578 HydrophobicContact CG-CD2 4.37Å
493	L	90.6	Very high	88.8	Confident	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-66.8	-40	174.7	-73.5	176	0	0	0	112.2	L438 A441 V489 S490 Y496 L497 L523 I526	L438-L493 HydrophobicContact CB-CD1 4.26Å; L438-L493 HydrophobicContact CD1-CB 4.11Å; L438-L493 HydrophobicContact CD1-CD1 4.3Å; A441-L493 HydrophobicContact CB-CD1 4.3Å; V489-L493 HydrophobicContact CG1-CD1 3.64Å; V489-L493 HydrophobicContact CG1-CG 4.02Å; V489-L493 VanDerWaalsContact O-CB 3.31Å; V489-L493 WeakPolarHBondContact O-CB 3.45Å; V489-L493 WeakPolarHBondContact O-CG 3.45Å; V489-L493 PolarHBondContact O-N 2.6Å; S490-L493 PolarHBondContact O-N 3.44Å; L493-Y496 PolarHBondContact O-N 2.91Å; L493-L497 WeakPolarHBondContact O-CB 3.29Å; L493-L497 WeakPolarHBondContact O-CG 3.32Å; L493-L497 PolarHBondContact O-N 3.03Å; L493-L523 HydrophobicContact CD2-CD2 3.35Å; L493-I526 HydrophobicContact CD2-CD1 4.1Å; L493-I526 HydrophobicContact CD2-CG2 4.2Å; L493-I526 HydrophobicContact CG-CG2 4.18Å
494	L	87.1	Confident	88	Confident	4 Å²	4	15.5 Å²	15.5	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-59.2	-50.8	170.6	-77.6	172.2	0	0	0	110.6	L438 S490 V491 Y496 L497 T498 I624 D628 Y672	L438-L494 HydrophobicContact CD2-CD2 3.97Å; L438-L494 HydrophobicContact CD2-CG 4.31Å; S490-L494 WeakPolarHBondContact O-CB 3.46Å; S490-L494 WeakPolarHBondContact O-CG 3.34Å; S490-L494 PolarHBondContact O-N 3.22Å; V491-L494 PolarHBondContact O-N 2.9Å; L494-Y496 VanDerWaalsContact C-N 3.32Å; L494-Y496 PolarHBondContact O-N 3.25Å; L494-L497 WeakPolarHBondContact O-CB 3.47Å; L494-L497 PolarHBondContact O-N 2.65Å; L494-L497 VanDerWaalsContact O-N 3.13Å; L494-T498 VanDerWaalsContact O-CG2 3.3Å; L494-T498 WeakPolarHBondContact O-CG2 3.25Å; L494-T498 PolarHBondContact O-N 3.21Å; L494-I624 HydrophobicContact CD2-CG2 4.03Å; L494-D628 HydrophobicContact CD1-CB 4.02Å; L494-Y672 WeakPolarHBondContact CD2-OH 3.11Å
495	T	90	Very high	87.1	Confident	12 Å²	12	17.2 Å²	17.2	7%	0.074	9%	0.091	C	C	.	.	H	α-helix	trans	-54.5	-48	177.4	-54	0	0	0	0	111.2	V491 L492 L497 T498 L499 A582 I585 I586	V491-T495 WeakPolarHBondContact O-CB 3.45Å; V491-T495 PolarHBondContact O-N 3.06Å; V491-T495 PolarHBondContact O-OG1 2.89Å; L492-T495 PolarHBondContact O-N 3.01Å; T495-L497 PolarHBondContact O-N 3.49Å; T495-T498 PolarHBondContact O-N 3.03Å; T495-T498 PolarHBondContact O-OG1 2.96Å; T495-L499 HydrophobicContact CG2-CD1 4.31Å; T495-L499 PolarHBondContact O-N 2.82Å; T495-A582 WeakPolarHBondContact OG1-CB 3.19Å; T495-I585 HydrophobicContact CG2-CB 4.3Å; T495-I585 HydrophobicContact CG2-CG2 3.89Å; T495-I586 HydrophobicContact CG2-CG1 4.38Å
496	Y	90.1	Very high	86.3	Confident	25 Å²	25	17.9 Å²	17.9	10%	0.098	10%	0.096	C	C	.	.	H	α-helix	trans	-60.2	-45.9	176.2	174.7	-100.5	0	0	0	113.1	L492 L493 L494 T498 L499 E500 T519 I522 L523 I526	L492-Y496 PolarHBondContact O-N 2.99Å; L493-Y496 PolarHBondContact O-N 2.91Å; L494-Y496 VanDerWaalsContact C-N 3.32Å; L494-Y496 PolarHBondContact O-N 3.25Å; Y496-T498 VanDerWaalsContact C-N 3.27Å; Y496-T498 PolarHBondContact O-N 2.81Å; Y496-L499 PolarHBondContact O-N 3.42Å; Y496-E500 WeakPolarHBondContact O-CB 3.35Å; Y496-E500 PolarHBondContact O-N 3.29Å; Y496-T519 HydrophobicContact CE1-CG2 4.34Å; Y496-I522 HydrophobicContact CD2-CG2 3.6Å; Y496-I522 HydrophobicContact CE2-CB 4.28Å; Y496-I522 HydrophobicContact CE2-CD1 3.87Å; Y496-I522 HydrophobicContact CE2-CG2 3.68Å; Y496-I522 HydrophobicContact CG-CG2 4.25Å; Y496-L523 HydrophobicContact CD1-CD2 4.44Å; Y496-I526 HydrophobicContact CG-CD1 4.35Å
497	L	84.3	Confident	85.5	Confident	6 Å²	6	23.6 Å²	23.6	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-58.3	-37.8	176.3	-81.6	167	0	0	0	112.4	C434 L438 L493 L494 T495 K501	C434-L497 HydrophobicContact CB-CD2 3.53Å; C434-L497 HydrophobicContact CB-CG 4.22Å; L438-L497 HydrophobicContact CD2-CD1 3.99Å; L493-L497 WeakPolarHBondContact O-CB 3.29Å; L493-L497 WeakPolarHBondContact O-CG 3.32Å; L493-L497 PolarHBondContact O-N 3.03Å; L494-L497 WeakPolarHBondContact O-CB 3.47Å; L494-L497 PolarHBondContact O-N 2.65Å; L494-L497 VanDerWaalsContact O-N 3.13Å; T495-L497 PolarHBondContact O-N 3.49Å; L497-K501 PolarHBondContact O-N 3.47Å
498	T	85.4	Confident	84.4	Confident	6 Å²	6	27 Å²	27	4%	0.037	14%	0.141	C	C	.	.	H	α-helix	trans	-71.3	-40.9	178.5	67.7	0	0	0	0	112.1	L494 T495 Y496 K501 Y502 I586 Y590 V625	L494-T498 VanDerWaalsContact O-CG2 3.3Å; L494-T498 WeakPolarHBondContact O-CG2 3.25Å; L494-T498 PolarHBondContact O-N 3.21Å; T495-T498 PolarHBondContact O-N 3.03Å; T495-T498 PolarHBondContact O-OG1 2.96Å; Y496-T498 VanDerWaalsContact C-N 3.27Å; Y496-T498 PolarHBondContact O-N 2.81Å; T498-K501 PolarHBondContact O-N 2.77Å; T498-Y502 WeakPolarHBondContact O-CB 3.27Å; T498-Y502 PolarHBondContact O-N 3.41Å; T498-I586 HydrophobicContact CG2-CG1 4.18Å; T498-I586 HydrophobicContact CG2-CG2 4.29Å; T498-Y590 HydrophobicContact CG2-CE2 3.47Å; T498-Y590 VanDerWaalsContact CG2-CE2 3.47Å; T498-V625 HydrophobicContact CG2-CG2 3.88Å
499	L	86.9	Confident	82.8	Confident	60 Å²	60	35.5 Å²	35.5	31%	0.314	18%	0.178	S	C	.	.	H	α-helix	trans	-65.4	-42.2	174.6	-73.7	171.5	0	0	0	112.3	T495 Y496 K501 Y502 I503 I585	T495-L499 HydrophobicContact CG2-CD1 4.31Å; T495-L499 PolarHBondContact O-N 2.82Å; Y496-L499 PolarHBondContact O-N 3.42Å; L499-K501 VanDerWaalsContact C-N 3.3Å; L499-K501 PolarHBondContact O-N 3.07Å; L499-Y502 PolarHBondContact O-N 3.12Å; L499-I503 WeakPolarHBondContact O-CG1 3.41Å; L499-I503 PolarHBondContact O-N 3.41Å; L499-I585 HydrophobicContact CD1-CG2 4.04Å; L499-I585 HydrophobicContact CD2-CG2 3.82Å; L499-I585 HydrophobicContact CG-CG2 4.02Å
500	E	82.5	Confident	81.1	Confident	7 Å²	7	41.4 Å²	41.4	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-56.7	-44.6	174.9	-177.7	-178.7	-134.8	0	0	110.8	H431 Y496 C504 P514	H431-E500 IonicContact CE1-OE1 3.26Å; H431-E500 IonicContact CE1-OE2 3.4Å; H431-E500 PolarHBondContact CE1-OE2 2.84Å; H431-E500 IonicContact ND1-OE1 2.68Å; H431-E500 IonicContact ND1-OE2 3.72Å; H431-E500 PolarHBondContact ND1-OE2 2.89Å; Y496-E500 WeakPolarHBondContact O-CB 3.35Å; Y496-E500 PolarHBondContact O-N 3.29Å; E500-C504 PolarHBondContact O-N 2.78Å; E500-C504 PolarHBondContact O-SG 2.72Å; E500-P514 HydrophobicContact CG-CG 4.26Å
501	K	79.3	Confident	79.5	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.035	25%	0.245	C	C	.	.	H	α-helix	trans	-72	-39.1	177.1	-74.8	-52.8	-160.7	-178.3	0	113.7	H431 L497 T498 L499 C504 I505 E614 F621	H431-K501 VanDerWaalsContact CE1-CE 3.43Å; H431-K501 WeakPolarHBondContact CE1-CE 3.27Å; H431-K501 VanDerWaalsContact NE2-CE 3.31Å; H431-K501 WeakPolarHBondContact NE2-CE 3.41Å; H431-K501 PolarHBondContact NE2-NZ 2.89Å; L497-K501 PolarHBondContact O-N 3.47Å; T498-K501 PolarHBondContact O-N 2.77Å; L499-K501 VanDerWaalsContact C-N 3.3Å; L499-K501 PolarHBondContact O-N 3.07Å; K501-C504 PolarHBondContact O-N 3.43Å; K501-I505 WeakPolarHBondContact O-CB 3.21Å; K501-I505 WeakPolarHBondContact O-CG1 3.41Å; K501-I505 PolarHBondContact O-N 3.24Å; K501-I505 VanDerWaalsContact O-N 3.07Å; K501-E614 IonicContact NZ-OE1 3.04Å; K501-E614 IonicContact NZ-OE2 2.8Å; K501-E614 PolarHBondContact NZ-OE2 3.35Å; K501-F621 HydrophobicContact CG-CD2 4.41Å; K501-F621 HydrophobicContact CG-CE2 4.39Å
502	Y	83.2	Confident	78.1	Confident	32 Å²	32	56.4 Å²	56.4	13%	0.125	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-50.5	174.4	167.5	-102.5	0	0	0	111.5	T498 L499 C504 I505 V506 Y507	T498-Y502 WeakPolarHBondContact O-CB 3.27Å; T498-Y502 PolarHBondContact O-N 3.41Å; L499-Y502 PolarHBondContact O-N 3.12Å; Y502-C504 PolarHBondContact O-N 3.13Å; Y502-I505 PolarHBondContact O-N 3.31Å; Y502-V506 HydrophobicContact CD2-CB 4.43Å; Y502-V506 HydrophobicContact CD2-CG2 3.74Å; Y502-V506 HydrophobicContact CE2-CB 4.1Å; Y502-V506 HydrophobicContact CE2-CG1 4.34Å; Y502-V506 HydrophobicContact CE2-CG2 3.59Å; Y502-V506 WeakPolarHBondContact O-CB 3.17Å; Y502-V506 PolarHBondContact O-N 2.76Å; Y502-Y507 HydrophobicContact CE1-CE2 4.09Å
503	I	82	Confident	76.8	Confident	47 Å²	47	58.8 Å²	58.8	24%	0.241	29%	0.285	C	S	.	.	H	α-helix	trans	-60.4	-47.4	179.2	-66.4	166.6	0	0	0	110.7	L499 I505 Y507 L512	L499-I503 WeakPolarHBondContact O-CG1 3.41Å; L499-I503 PolarHBondContact O-N 3.41Å; I503-I505 VanDerWaalsContact C-N 3.28Å; I503-I505 PolarHBondContact O-N 3.28Å; I503-Y507 WeakPolarHBondContact O-CA 3.48Å; I503-Y507 PolarHBondContact O-N 2.64Å; I503-L512 HydrophobicContact CG2-CB 4.38Å
504	C	75.8	Confident	75.7	Confident	46 Å²	46	59.7 Å²	59.7	31%	0.311	29%	0.291	S	S	.	.	H	α-helix	trans	-63	-29.6	-179.4	-67.6	0	0	0	0	114.2	E500 K501 Y502	E500-C504 PolarHBondContact O-N 2.78Å; E500-C504 PolarHBondContact O-SG 2.72Å; K501-C504 PolarHBondContact O-N 3.43Å; Y502-C504 PolarHBondContact O-N 3.13Å
505	I	72.9	Confident	75.3	Confident	35 Å²	35	61.3 Å²	61.3	18%	0.179	31%	0.309	C	S	.	.	H	α-helix	trans	-94.3	-38.4	-176	-70.2	165.8	0	0	0	112.1	K501 Y502 I503 M593 I597 E614 A618	K501-I505 WeakPolarHBondContact O-CB 3.21Å; K501-I505 WeakPolarHBondContact O-CG1 3.41Å; K501-I505 PolarHBondContact O-N 3.24Å; K501-I505 VanDerWaalsContact O-N 3.07Å; Y502-I505 PolarHBondContact O-N 3.31Å; I503-I505 VanDerWaalsContact C-N 3.28Å; I503-I505 PolarHBondContact O-N 3.28Å; I505-M593 HydrophobicContact CB-CG 4.22Å; I505-M593 HydrophobicContact CD1-CG 4.12Å; I505-M593 HydrophobicContact CD1-SD 3.46Å; I505-M593 WeakPolarHBondContact CD1-SD 3.42Å; I505-M593 HydrophobicContact CG2-CG 3.82Å; I505-I597 HydrophobicContact CG2-CD1 4.3Å; I505-I597 HydrophobicContact CG2-CG1 4.02Å; I505-E614 HydrophobicContact CD1-CB 4.48Å; I505-E614 HydrophobicContact CG1-CB 4.45Å; I505-A618 HydrophobicContact CD1-CB 4.09Å
506	V	78.3	Confident	74.8	Confident	26 Å²	26	66.7 Å²	66.7	16%	0.158	33%	0.328	C	S	.	.	H	α-helix	trans	-86.6	-30.3	-177.5	-180	0	0	0	0	112.4	Y502 P508 N596	Y502-V506 HydrophobicContact CD2-CB 4.43Å; Y502-V506 HydrophobicContact CD2-CG2 3.74Å; Y502-V506 HydrophobicContact CE2-CB 4.1Å; Y502-V506 HydrophobicContact CE2-CG1 4.34Å; Y502-V506 HydrophobicContact CE2-CG2 3.59Å; Y502-V506 WeakPolarHBondContact O-CB 3.17Å; Y502-V506 PolarHBondContact O-N 2.76Å; V506-P508 WeakPolarHBondContact O-CD 3.49Å; V506-N596 HydrophobicContact CG2-CB 4.14Å
507	Y	77.3	Confident	74.6	Confident	119 Å²	119	75.9 Å²	75.9	47%	0.467	36%	0.362	S	S	.	.			trans	-122.6	58	-177	-59.8	-76.8	0	0	0	113.4	Y502 I503 F509 H510	Y502-Y507 HydrophobicContact CE1-CE2 4.09Å; I503-Y507 WeakPolarHBondContact O-CA 3.48Å; I503-Y507 PolarHBondContact O-N 2.64Å; Y507-F509 PolarHBondContact O-N 3.1Å; Y507-H510 PolarHBondContact O-N 3.24Å
508	P	67.3	Low	74.7	Confident	85 Å²	85	83.1 Å²	83.1	55%	0.552	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.9	-171.1	26.7	-36.3	0	0	0	115.6	V506	V506-P508 WeakPolarHBondContact O-CD 3.49Å
509	F	58	Low	74.8	Confident	179 Å²	179	82.9 Å²	82.9	79%	0.785	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	6.6	-176.9	-63.8	-70.4	0	0	0	114.4	Y507	Y507-F509 PolarHBondContact O-N 3.1Å
510	H	58.3	Low	74.9	Confident	124 Å²	124	82.8 Å²	82.8	57%	0.574	39%	0.389	S	S	*	.	S	Bend	trans	-99.8	143.3	-178.7	-134.1	33.6	0	0	0	111.6	Y507 L512	Y507-H510 PolarHBondContact O-N 3.24Å; H510-L512 HydrophobicContact CB-CD1 4.11Å; H510-L512 WeakPolarHBondContact CD2-CD1 3.47Å; H510-L512 PolarHBondContact O-N 2.97Å
511	Y	57.5	Low	75.3	Confident	225 Å²	225	86.3 Å²	86.3	88%	0.882	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	16.6	-174.5	-106.6	-88.7	0	0	0	115
512	L	62.3	Low	75.8	Confident	103 Å²	103	89.4 Å²	89.4	54%	0.539	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1	-176.4	-78.9	93.7	0	0	0	114.5	I503 H510 P514	I503-L512 HydrophobicContact CG2-CB 4.38Å; H510-L512 HydrophobicContact CB-CD1 4.11Å; H510-L512 WeakPolarHBondContact CD2-CD1 3.47Å; H510-L512 PolarHBondContact O-N 2.97Å; L512-P514 WeakPolarHBondContact O-CD 3.37Å
513	T	64.8	Low	76.2	Confident	84 Å²	84	88.7 Å²	88.7	52%	0.515	43%	0.429	S	S	.	.	S	Bend	trans	-56.9	124.8	175.5	47.8	0	0	0	0	110.2	G515	T513-G515 PolarHBondContact O-N 3.21Å
514	P	66.9	Low	76.8	Confident	20 Å²	20	91.8 Å²	91.8	13%	0.13	45%	0.446	C	S	.	.			trans	-71.1	107.1	-173.7	26.2	-33	0	0	0	110.2	E500 L512 T519	E500-P514 HydrophobicContact CG-CG 4.26Å; L512-P514 WeakPolarHBondContact O-CD 3.37Å; P514-T519 PolarHBondContact O-OG1 3.49Å
515	G	77.6	Confident	77.7	Confident	39 Å²	39	91.4 Å²	91.4	40%	0.402	45%	0.449	S	S	.	.			trans	-67	153.7	172.2	0	0	0	0	0	112	T513 R517 R518 T519	T513-G515 PolarHBondContact O-N 3.21Å; G515-R517 VanDerWaalsContact C-N 3.3Å; G515-R517 PolarHBondContact O-N 3.23Å; G515-R518 WeakPolarHBondContact O-CA 3.45Å; G515-R518 WeakPolarHBondContact O-CB 3.33Å; G515-R518 PolarHBondContact O-N 3.1Å; G515-T519 PolarHBondContact O-N 2.86Å
516	W	81.1	Confident	78.8	Confident	125 Å²	125	90.8 Å²	90.8	47%	0.473	45%	0.446	S	S	.	.	H	α-helix	trans	-38.8	-49.1	-174.6	175.6	-91	0	0	0	115.9	K429 L430 M433 R518 T519 V520	K429-W516 HydrophobicContact CB-CZ3 4.43Å; L430-W516 HydrophobicContact CD2-CB 4.09Å; L430-W516 HydrophobicContact CD2-CD2 4.35Å; L430-W516 HydrophobicContact CD2-CE3 3.6Å; L430-W516 HydrophobicContact CD2-CZ3 4.4Å; M433-W516 HydrophobicContact CE-CH2 4.04Å; M433-W516 HydrophobicContact CG-CH2 3.72Å; M433-W516 HydrophobicContact CG-CZ3 3.74Å; M433-W516 HydrophobicContact SD-CH2 4.05Å; W516-R518 VanDerWaalsContact C-N 3.33Å; W516-R518 PolarHBondContact O-N 3.02Å; W516-T519 PolarHBondContact O-N 3.26Å; W516-V520 HydrophobicContact CD2-CG2 4.33Å; W516-V520 HydrophobicContact CZ2-CG2 4.09Å; W516-V520 WeakPolarHBondContact O-CG2 3.05Å; W516-V520 PolarHBondContact O-N 3.03Å
517	R	85.7	Confident	79.6	Confident	218 Å²	218	93 Å²	93	82%	0.823	45%	0.452	S	S	*	.	H	α-helix	trans	-61.3	-39.4	-180	-65	-176.3	-178	175.9	0.4	112.3	G515 S521	G515-R517 VanDerWaalsContact C-N 3.3Å; G515-R517 PolarHBondContact O-N 3.23Å; R517-S521 WeakPolarHBondContact O-CB 3Å; R517-S521 PolarHBondContact O-N 2.93Å; R517-S521 VanDerWaalsContact O-N 3.08Å; R517-S521 PolarHBondContact O-OG 3.37Å
518	R	86.5	Confident	80.5	Confident	157 Å²	157	91.2 Å²	91.2	59%	0.592	45%	0.453	S	S	*	.	H	α-helix	trans	-68.2	-46.7	177.7	-66.2	-178.1	177.6	164.5	-1.2	111.2	G515 W516 V520 S521 I522	G515-R518 WeakPolarHBondContact O-CA 3.45Å; G515-R518 WeakPolarHBondContact O-CB 3.33Å; G515-R518 PolarHBondContact O-N 3.1Å; W516-R518 VanDerWaalsContact C-N 3.33Å; W516-R518 PolarHBondContact O-N 3.02Å; R518-V520 PolarHBondContact O-N 2.86Å; R518-S521 PolarHBondContact O-N 3.43Å; R518-I522 VanDerWaalsContact O-CG1 3.3Å; R518-I522 WeakPolarHBondContact O-CG1 3.44Å; R518-I522 PolarHBondContact O-N 3.17Å
519	T	86.1	Confident	81.9	Confident	1 Å²	1	92 Å²	92	1%	0.006	45%	0.448	C	S	.	.	H	α-helix	trans	-57.2	-48	177.3	-52.4	0	0	0	0	111.6	L430 Y496 P514 G515 W516 S521 I522 L523	L430-T519 HydrophobicContact CD2-CG2 4.33Å; Y496-T519 HydrophobicContact CE1-CG2 4.34Å; P514-T519 PolarHBondContact O-OG1 3.49Å; G515-T519 PolarHBondContact O-N 2.86Å; W516-T519 PolarHBondContact O-N 3.26Å; T519-S521 PolarHBondContact O-N 2.67Å; T519-I522 PolarHBondContact O-N 3.03Å; T519-L523 HydrophobicContact CG2-CD1 4.15Å; T519-L523 VanDerWaalsContact O-CG 3.31Å; T519-L523 WeakPolarHBondContact O-CG 3.5Å; T519-L523 PolarHBondContact O-N 2.98Å
520	V	88.8	Confident	83.6	Confident	58 Å²	58	83.5 Å²	83.5	35%	0.352	41%	0.411	S	S	.	.	H	α-helix	trans	-63.2	-42.3	178	174	0	0	0	0	111.7	W516 R518 I522 L523 L524	W516-V520 HydrophobicContact CD2-CG2 4.33Å; W516-V520 HydrophobicContact CZ2-CG2 4.09Å; W516-V520 WeakPolarHBondContact O-CG2 3.05Å; W516-V520 PolarHBondContact O-N 3.03Å; R518-V520 PolarHBondContact O-N 2.86Å; V520-I522 PolarHBondContact O-N 2.95Å; V520-L523 PolarHBondContact O-N 3.22Å; V520-L524 WeakPolarHBondContact O-CB 3.18Å; V520-L524 PolarHBondContact O-N 2.86Å
521	S	90.9	Very high	85.4	Confident	82 Å²	82	83 Å²	83	57%	0.573	41%	0.407	S	S	*	.	H	α-helix	trans	-62.9	-39.1	175.8	-63.8	0	0	0	0	113	R517 R518 T519 G525	R517-S521 WeakPolarHBondContact O-CB 3Å; R517-S521 PolarHBondContact O-N 2.93Å; R517-S521 VanDerWaalsContact O-N 3.08Å; R517-S521 PolarHBondContact O-OG 3.37Å; R518-S521 PolarHBondContact O-N 3.43Å; T519-S521 PolarHBondContact O-N 2.67Å; S521-G525 PolarHBondContact O-N 3.4Å
522	I	91.4	Very high	87.1	Confident	73 Å²	73	76.2 Å²	76.2	37%	0.374	39%	0.389	S	S	.	.	H	α-helix	trans	-68.5	-45.8	177.6	-67	164.2	0	0	0	110.7	Y496 R518 T519 V520 L524 G525 I526	Y496-I522 HydrophobicContact CD2-CG2 3.6Å; Y496-I522 HydrophobicContact CE2-CB 4.28Å; Y496-I522 HydrophobicContact CE2-CD1 3.87Å; Y496-I522 HydrophobicContact CE2-CG2 3.68Å; Y496-I522 HydrophobicContact CG-CG2 4.25Å; R518-I522 VanDerWaalsContact O-CG1 3.3Å; R518-I522 WeakPolarHBondContact O-CG1 3.44Å; R518-I522 PolarHBondContact O-N 3.17Å; T519-I522 PolarHBondContact O-N 3.03Å; V520-I522 PolarHBondContact O-N 2.95Å; I522-L524 VanDerWaalsContact C-N 3.33Å; I522-L524 PolarHBondContact O-N 3.24Å; I522-G525 PolarHBondContact O-N 2.93Å; I522-G525 VanDerWaalsContact O-N 3.15Å; I522-I526 HydrophobicContact CG2-CD1 3.98Å; I522-I526 HydrophobicContact CG2-CG1 4.47Å; I522-I526 WeakPolarHBondContact O-CG1 3.49Å; I522-I526 PolarHBondContact O-N 3.22Å
523	L	91.8	Very high	88.6	Confident	16 Å²	16	71.8 Å²	71.8	8%	0.084	37%	0.366	C	S	.	.	H	α-helix	trans	-58.6	-44.6	176.3	-69.2	173.4	0	0	0	111.4	L493 Y496 T519 V520 I526 W527	L493-L523 HydrophobicContact CD2-CD2 3.35Å; Y496-L523 HydrophobicContact CD1-CD2 4.44Å; T519-L523 HydrophobicContact CG2-CD1 4.15Å; T519-L523 VanDerWaalsContact O-CG 3.31Å; T519-L523 WeakPolarHBondContact O-CG 3.5Å; T519-L523 PolarHBondContact O-N 2.98Å; V520-L523 PolarHBondContact O-N 3.22Å; L523-I526 PolarHBondContact O-N 3.34Å; L523-W527 PolarHBondContact O-N 3.48Å; L523-W527 VanDerWaalsContact O-N 3.09Å
524	L	93.6	Very high	89.9	Confident	113 Å²	113	67.8 Å²	67.8	59%	0.592	34%	0.341	S	S	*	.	H	α-helix	trans	-63.8	-40.6	175.8	-169	149.8	0	0	0	111.6	V520 I522 I526 W527 V528	V520-L524 WeakPolarHBondContact O-CB 3.18Å; V520-L524 PolarHBondContact O-N 2.86Å; I522-L524 VanDerWaalsContact C-N 3.33Å; I522-L524 PolarHBondContact O-N 3.24Å; L524-I526 PolarHBondContact O-N 3.5Å; L524-W527 PolarHBondContact O-N 3.02Å; L524-V528 HydrophobicContact CD2-CG2 3.89Å; L524-V528 WeakPolarHBondContact O-CG2 3.44Å; L524-V528 PolarHBondContact O-N 3.05Å
525	G	95.1	Very high	91.1	Very high	37 Å²	37	69.3 Å²	69.3	38%	0.381	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-41.5	174.5	0	0	0	0	0	113.5	S521 I522 V528 F529	S521-G525 PolarHBondContact O-N 3.4Å; I522-G525 PolarHBondContact O-N 2.93Å; I522-G525 VanDerWaalsContact O-N 3.15Å; G525-V528 PolarHBondContact O-N 3.05Å; G525-F529 WeakPolarHBondContact O-CB 3.4Å; G525-F529 PolarHBondContact O-N 3.36Å
526	I	95.3	Very high	91.7	Very high	22 Å²	22	70.4 Å²	70.4	11%	0.113	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-45.5	175.3	-68.4	166.3	0	0	0	110.7	V489 L492 L493 Y496 I522 L523 L524 F529 G530	V489-I526 HydrophobicContact CG1-CG2 4.26Å; L492-I526 HydrophobicContact CB-CG2 3.65Å; L492-I526 HydrophobicContact CD1-CG2 4.27Å; L493-I526 HydrophobicContact CD2-CD1 4.1Å; L493-I526 HydrophobicContact CD2-CG2 4.2Å; L493-I526 HydrophobicContact CG-CG2 4.18Å; Y496-I526 HydrophobicContact CG-CD1 4.35Å; I522-I526 HydrophobicContact CG2-CD1 3.98Å; I522-I526 HydrophobicContact CG2-CG1 4.47Å; I522-I526 WeakPolarHBondContact O-CG1 3.49Å; I522-I526 PolarHBondContact O-N 3.22Å; L523-I526 PolarHBondContact O-N 3.34Å; L524-I526 PolarHBondContact O-N 3.5Å; I526-F529 PolarHBondContact O-N 3.2Å; I526-G530 PolarHBondContact O-N 3.31Å
527	W	96.4	Very high	92	Very high	74 Å²	74	64.6 Å²	64.6	28%	0.28	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-42.9	176.4	-87.7	97.1	0	0	0	112.9	S437 C440 A441 L444 L485 V489 L523 L524 F531	S437-W527 PolarHBondContact OG-NE1 3.35Å; C440-W527 HydrophobicContact CB-CZ2 4.03Å; A441-W527 HydrophobicContact CB-CH2 4.43Å; A441-W527 HydrophobicContact CB-CZ2 4.25Å; L444-W527 HydrophobicContact CD1-CH2 4.06Å; L444-W527 HydrophobicContact CD1-CZ3 4.11Å; L485-W527 HydrophobicContact CD2-CZ3 4.25Å; L485-W527 HydrophobicContact CG-CZ3 4.46Å; V489-W527 HydrophobicContact CG1-CD2 4.23Å; V489-W527 HydrophobicContact CG1-CZ2 4.26Å; L523-W527 PolarHBondContact O-N 3.48Å; L523-W527 VanDerWaalsContact O-N 3.09Å; L524-W527 PolarHBondContact O-N 3.02Å; W527-F531 WeakPolarHBondContact O-CB 3.41Å; W527-F531 PolarHBondContact O-N 2.97Å
528	V	96.4	Very high	92.1	Very high	81 Å²	81	55.8 Å²	55.8	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-45.6	176.4	169.8	0	0	0	0	110.9	L524 G525 F531 V532	L524-V528 HydrophobicContact CD2-CG2 3.89Å; L524-V528 WeakPolarHBondContact O-CG2 3.44Å; L524-V528 PolarHBondContact O-N 3.05Å; G525-V528 PolarHBondContact O-N 3.05Å; V528-F531 PolarHBondContact O-N 3.24Å; V528-V532 WeakPolarHBondContact O-CG2 3.18Å; V528-V532 PolarHBondContact O-N 3.25Å
529	F	95.1	Very high	92	Very high	101 Å²	101	52.1 Å²	52.1	44%	0.443	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-48.1	177.4	177.8	-91.2	0	0	0	111.9	L492 G525 I526 F531 V532 V533 L578	L492-F529 HydrophobicContact CD1-CD1 3.61Å; L492-F529 HydrophobicContact CD1-CE1 3.93Å; G525-F529 WeakPolarHBondContact O-CB 3.4Å; G525-F529 PolarHBondContact O-N 3.36Å; I526-F529 PolarHBondContact O-N 3.2Å; F529-F531 VanDerWaalsContact C-N 3.3Å; F529-F531 PolarHBondContact O-N 3.24Å; F529-V532 PolarHBondContact O-N 3.08Å; F529-V533 HydrophobicContact CD1-CG2 4.2Å; F529-V533 HydrophobicContact CE1-CG2 3.66Å; F529-V533 HydrophobicContact CE2-CG2 4.4Å; F529-V533 HydrophobicContact CZ-CG2 3.79Å; F529-V533 WeakPolarHBondContact O-CG2 3.23Å; F529-V533 PolarHBondContact O-N 2.92Å; F529-L578 HydrophobicContact CE1-CD1 3.6Å; F529-L578 HydrophobicContact CZ-CD1 3.78Å
530	G	94.4	Very high	91.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-37.5	176.6	0	0	0	0	0	112.8	L485 I526 V533 A534	L485-G530 WeakPolarHBondContact CD1-O 3.49Å; I526-G530 PolarHBondContact O-N 3.31Å; G530-V533 PolarHBondContact O-N 3.1Å; G530-A534 WeakPolarHBondContact O-CB 3.5Å; G530-A534 PolarHBondContact O-N 3.11Å
531	F	95.3	Very high	91.2	Very high	114 Å²	114	56.5 Å²	56.5	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-64.9	-42.4	174.3	-171.8	-87	0	0	0	112.1	L485 W527 V528 F529 A534 F535	L485-F531 HydrophobicContact CD1-CB 4.44Å; W527-F531 WeakPolarHBondContact O-CB 3.41Å; W527-F531 PolarHBondContact O-N 2.97Å; V528-F531 PolarHBondContact O-N 3.24Å; F529-F531 VanDerWaalsContact C-N 3.3Å; F529-F531 PolarHBondContact O-N 3.24Å; F531-A534 PolarHBondContact O-N 3.01Å; F531-F535 HydrophobicContact CD1-CD2 4.18Å; F531-F535 AromaticContact CD2-CD2 3.58Å; F531-F535 HydrophobicContact CD2-CD2 3.58Å; F531-F535 AromaticContact CD2-CE2 3.65Å; F531-F535 HydrophobicContact CD2-CE2 3.65Å; F531-F535 HydrophobicContact CE1-CB 4.26Å; F531-F535 HydrophobicContact CE1-CD2 4.04Å; F531-F535 HydrophobicContact CE1-CG 4.22Å; F531-F535 AromaticContact CE2-CD2 3.43Å; F531-F535 HydrophobicContact CE2-CD2 3.43Å; F531-F535 VanDerWaalsContact CE2-CD2 3.43Å; F531-F535 AromaticContact CE2-CE2 3.39Å; F531-F535 HydrophobicContact CE2-CE2 3.39Å; F531-F535 HydrophobicContact CE2-CG 4.17Å; F531-F535 HydrophobicContact CE2-CZ 4.09Å; F531-F535 AromaticContact CG-CD2 3.96Å; F531-F535 HydrophobicContact CG-CD2 3.96Å; F531-F535 HydrophobicContact CG-CE2 4.46Å; F531-F535 HydrophobicContact CZ-CB 4.46Å; F531-F535 AromaticContact CZ-CD2 3.67Å; F531-F535 HydrophobicContact CZ-CD2 3.67Å; F531-F535 HydrophobicContact CZ-CE2 4.01Å; F531-F535 AromaticContact CZ-CG 3.95Å; F531-F535 HydrophobicContact CZ-CG 3.95Å; F531-F535 WeakPolarHBondContact O-CB 3.18Å; F531-F535 WeakPolarHBondContact O-CD2 3.48Å; F531-F535 PolarHBondContact O-N 2.99Å
532	V	94	Very high	90.1	Very high	83 Å²	83	56.5 Å²	56.5	50%	0.503	33%	0.326	S	S	.	.	H	α-helix	trans	-60.8	-46.8	173.6	175	0	0	0	0	110.5	V528 F529 A534 L536	V528-V532 WeakPolarHBondContact O-CG2 3.18Å; V528-V532 PolarHBondContact O-N 3.25Å; F529-V532 PolarHBondContact O-N 3.08Å; V532-A534 PolarHBondContact O-N 3.37Å; V532-L536 WeakPolarHBondContact O-CB 3.37Å; V532-L536 PolarHBondContact O-N 2.78Å
533	V	92.5	Very high	89.2	Confident	9 Å²	9	56.8 Å²	56.8	6%	0.055	33%	0.328	C	S	.	.	H	α-helix	trans	-59.5	-47.3	177.5	170.5	0	0	0	0	111.6	M484 E488 F529 G530 F535 Y570 I574	M484-V533 HydrophobicContact SD-CG1 4.42Å; E488-V533 HydrophobicContact CG-CG1 4.3Å; F529-V533 HydrophobicContact CD1-CG2 4.2Å; F529-V533 HydrophobicContact CE1-CG2 3.66Å; F529-V533 HydrophobicContact CE2-CG2 4.4Å; F529-V533 HydrophobicContact CZ-CG2 3.79Å; F529-V533 WeakPolarHBondContact O-CG2 3.23Å; F529-V533 PolarHBondContact O-N 2.92Å; G530-V533 PolarHBondContact O-N 3.1Å; V533-F535 PolarHBondContact O-N 2.79Å; V533-Y570 WeakPolarHBondContact CA-OH 3.15Å; V533-Y570 PolarHBondContact O-OH 3.26Å; V533-I574 HydrophobicContact CG1-CD1 3.67Å; V533-I574 HydrophobicContact CG1-CG1 4.06Å; V533-I574 HydrophobicContact CG1-CG2 4.18Å; V533-I574 HydrophobicContact CG2-CD1 4.14Å
534	A	92.6	Very high	88.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-70.6	-32.1	-176.9	0	0	0	0	0	114.7	S481 L485 G530 F531 V532 Y548	S481-A534 VanDerWaalsContact CB-O 3.3Å; S481-A534 WeakPolarHBondContact CB-O 3.3Å; S481-A534 WeakPolarHBondContact O-CB 3.44Å; L485-A534 HydrophobicContact CB-CB 3.65Å; L485-A534 HydrophobicContact CD1-CB 4.25Å; G530-A534 WeakPolarHBondContact O-CB 3.5Å; G530-A534 PolarHBondContact O-N 3.11Å; F531-A534 PolarHBondContact O-N 3.01Å; V532-A534 PolarHBondContact O-N 3.37Å; A534-Y548 PolarHBondContact O-OH 2.52Å
535	F	92.6	Very high	87.3	Confident	52 Å²	52	58.2 Å²	58.2	23%	0.228	33%	0.325	C	S	.	.	H	α-helix	trans	-105.7	-12.3	-173.3	-73	-87.6	0	0	0	114.7	S481 L485 F531 V533 L538 A539	S481-F535 VanDerWaalsContact OG-CE1 3.29Å; S481-F535 WeakPolarHBondContact OG-CE1 3.41Å; S481-F535 WeakPolarHBondContact OG-CZ 3.32Å; L485-F535 HydrophobicContact CD2-CE2 4.37Å; F531-F535 HydrophobicContact CD1-CD2 4.18Å; F531-F535 AromaticContact CD2-CD2 3.58Å; F531-F535 HydrophobicContact CD2-CD2 3.58Å; F531-F535 AromaticContact CD2-CE2 3.65Å; F531-F535 HydrophobicContact CD2-CE2 3.65Å; F531-F535 HydrophobicContact CE1-CB 4.26Å; F531-F535 HydrophobicContact CE1-CD2 4.04Å; F531-F535 HydrophobicContact CE1-CG 4.22Å; F531-F535 AromaticContact CE2-CD2 3.43Å; F531-F535 HydrophobicContact CE2-CD2 3.43Å; F531-F535 VanDerWaalsContact CE2-CD2 3.43Å; F531-F535 AromaticContact CE2-CE2 3.39Å; F531-F535 HydrophobicContact CE2-CE2 3.39Å; F531-F535 HydrophobicContact CE2-CG 4.17Å; F531-F535 HydrophobicContact CE2-CZ 4.09Å; F531-F535 AromaticContact CG-CD2 3.96Å; F531-F535 HydrophobicContact CG-CD2 3.96Å; F531-F535 HydrophobicContact CG-CE2 4.46Å; F531-F535 HydrophobicContact CZ-CB 4.46Å; F531-F535 AromaticContact CZ-CD2 3.67Å; F531-F535 HydrophobicContact CZ-CD2 3.67Å; F531-F535 HydrophobicContact CZ-CE2 4.01Å; F531-F535 AromaticContact CZ-CG 3.95Å; F531-F535 HydrophobicContact CZ-CG 3.95Å; F531-F535 WeakPolarHBondContact O-CB 3.18Å; F531-F535 WeakPolarHBondContact O-CD2 3.48Å; F531-F535 PolarHBondContact O-N 2.99Å; V533-F535 PolarHBondContact O-N 2.79Å; F535-L538 HydrophobicContact CD1-CD1 4.33Å; F535-L538 PolarHBondContact O-N 3.01Å; F535-L538 VanDerWaalsContact O-N 3.11Å; F535-A539 PolarHBondContact O-N 2.79Å; F535-A539 VanDerWaalsContact O-N 3.1Å
536	L	90.6	Very high	86.4	Confident	62 Å²	62	57.9 Å²	57.9	33%	0.325	31%	0.314	S	S	.	.	H	α-helix	trans	-54.4	-42.6	176.9	178.4	67.5	0	0	0	113.6	V532 L538 A539 C540 Y570	V532-L536 WeakPolarHBondContact O-CB 3.37Å; V532-L536 PolarHBondContact O-N 2.78Å; L536-L538 VanDerWaalsContact C-N 3.29Å; L536-L538 PolarHBondContact O-N 2.78Å; L536-A539 PolarHBondContact O-N 3.16Å; L536-C540 PolarHBondContact O-N 2.96Å; L536-C540 VanDerWaalsContact O-N 3.13Å; L536-Y570 HydrophobicContact CD2-CE2 4.01Å
537	P	87.3	Confident	85.8	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.019	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-28.5	178.6	-19.5	32.8	0	0	0	113.5	F544 F547 Y548 Y570	P537-F544 HydrophobicContact CB-CB 4.14Å; P537-F544 HydrophobicContact CB-CD2 4.49Å; P537-F544 HydrophobicContact CB-CG 4.22Å; P537-F547 HydrophobicContact CB-CB 4.02Å; P537-F547 HydrophobicContact CB-CD1 3.7Å; P537-F547 HydrophobicContact CB-CE1 4.49Å; P537-F547 HydrophobicContact CB-CG 4.09Å; P537-F547 HydrophobicContact CG-CD1 3.8Å; P537-F547 HydrophobicContact CG-CE1 4.1Å; P537-Y548 HydrophobicContact CB-CE2 3.84Å; P537-Y548 HydrophobicContact CG-CE2 3.97Å; P537-Y570 HydrophobicContact CG-CD1 4.37Å; P537-Y570 HydrophobicContact CG-CE1 3.8Å
538	L	86.4	Confident	85.3	Confident	33 Å²	33	54.2 Å²	54.2	17%	0.173	30%	0.299	C	S	.	.	H	α-helix	trans	-75	-36.2	174.8	-70.2	94.2	0	0	0	112.2	Q477 V478 F535 L536 K541 Y548	Q477-L538 HydrophobicContact CB-CD2 3.76Å; Q477-L538 HydrophobicContact CB-CG 4.29Å; V478-L538 HydrophobicContact CG2-CD2 4.02Å; F535-L538 HydrophobicContact CD1-CD1 4.33Å; F535-L538 PolarHBondContact O-N 3.01Å; F535-L538 VanDerWaalsContact O-N 3.11Å; L536-L538 VanDerWaalsContact C-N 3.29Å; L536-L538 PolarHBondContact O-N 2.78Å; L538-K541 WeakPolarHBondContact O-CG 3.26Å; L538-Y548 HydrophobicContact CD1-CD2 3.78Å; L538-Y548 HydrophobicContact CD1-CE2 3.46Å; L538-Y548 VanDerWaalsContact CD1-CE2 3.46Å; L538-Y548 HydrophobicContact CG-CD2 4.43Å; L538-Y548 HydrophobicContact CG-CE2 4.48Å
539	A	85.9	Confident	84.4	Confident	81 Å²	81	50.6 Å²	50.6	67%	0.669	28%	0.279	S	S	*	.	H	α-helix	trans	-68.9	-37.3	179.4	0	0	0	0	0	112.1	F535 L536	F535-A539 PolarHBondContact O-N 2.79Å; F535-A539 VanDerWaalsContact O-N 3.1Å; L536-A539 PolarHBondContact O-N 3.16Å
540	C	82.9	Confident	83.5	Confident	47 Å²	47	48.4 Å²	48.4	32%	0.318	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	55.4	-174.3	-67.3	0	0	0	0	113.1	L536 G542 L543 F544	L536-C540 PolarHBondContact O-N 2.96Å; L536-C540 VanDerWaalsContact O-N 3.13Å; C540-G542 PolarHBondContact O-N 3.29Å; C540-L543 HydrophobicContact CB-CB 4.42Å; C540-L543 PolarHBondContact O-N 3.36Å; C540-F544 HydrophobicContact CB-CD2 3.88Å; C540-F544 HydrophobicContact CB-CE2 4.14Å; C540-F544 PolarHBondContact O-N 3.15Å; C540-F544 VanDerWaalsContact O-N 3.15Å
541	K	73.5	Confident	82.6	Confident	103 Å²	103	49.6 Å²	49.6	45%	0.448	28%	0.28	S	S	.	.	H	α-helix	trans	-51.5	-31.8	-179.5	-65.9	-163.9	172.2	-165.4	0	114.8	L538 L543 R545	L538-K541 WeakPolarHBondContact O-CG 3.26Å; K541-L543 VanDerWaalsContact C-N 3.31Å; K541-L543 PolarHBondContact O-N 2.82Å; K541-R545 VanDerWaalsContact O-CA 3.26Å; K541-R545 WeakPolarHBondContact O-CA 3.26Å; K541-R545 PolarHBondContact O-N 2.8Å
542	G	69.3	Low	81.8	Confident	82 Å²	82	44.1 Å²	44.1	85%	0.845	26%	0.256	S	S	*	.	H	α-helix	trans	-68.1	-23.9	176.9	0	0	0	0	0	115.1	C540	C540-G542 PolarHBondContact O-N 3.29Å
543	L	71.7	Confident	81.4	Confident	80 Å²	80	40.4 Å²	40.4	42%	0.419	23%	0.234	S	C	.	.	H	α-helix	trans	-97.6	-36.2	179.3	-90.9	145.1	0	0	0	112.7	C540 K541 T564 W566	C540-L543 HydrophobicContact CB-CB 4.42Å; C540-L543 PolarHBondContact O-N 3.36Å; K541-L543 VanDerWaalsContact C-N 3.31Å; K541-L543 PolarHBondContact O-N 2.82Å; L543-T564 PolarHBondContact O-OG1 2.77Å; L543-W566 HydrophobicContact CD2-CB 4.37Å; L543-W566 HydrophobicContact CD2-CD2 4.29Å; L543-W566 HydrophobicContact CD2-CG 3.89Å
544	F	70.7	Confident	81.1	Confident	22 Å²	22	40 Å²	40	10%	0.096	23%	0.231	C	C	.	.	H	α-helix	trans	-110.9	-2	-171.1	-63.9	-74	0	0	0	114.7	P537 C540 N546 F547 W566 A567 Y570	P537-F544 HydrophobicContact CB-CB 4.14Å; P537-F544 HydrophobicContact CB-CD2 4.49Å; P537-F544 HydrophobicContact CB-CG 4.22Å; C540-F544 HydrophobicContact CB-CD2 3.88Å; C540-F544 HydrophobicContact CB-CE2 4.14Å; C540-F544 PolarHBondContact O-N 3.15Å; C540-F544 VanDerWaalsContact O-N 3.15Å; F544-N546 PolarHBondContact O-N 2.03Å; F544-N546 VanDerWaalsContact O-N 3.16Å; F544-F547 HydrophobicContact CB-CB 4.27Å; F544-F547 PolarHBondContact O-N 3.23Å; F544-W566 HydrophobicContact CE1-CB 4.42Å; F544-A567 HydrophobicContact CD1-CB 4.23Å; F544-Y570 HydrophobicContact CE1-CD2 4.41Å; F544-Y570 HydrophobicContact CE1-CG 4.01Å; F544-Y570 HydrophobicContact CZ-CD2 4.39Å; F544-Y570 HydrophobicContact CZ-CG 4.43Å
545	R	74.8	Confident	80.9	Confident	136 Å²	136	40.3 Å²	40.3	51%	0.513	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.2	-116.9	-175.5	-70.2	-173.6	173.6	-178.2	0.1	111.9	K541 E563 T564	K541-R545 VanDerWaalsContact O-CA 3.26Å; K541-R545 WeakPolarHBondContact O-CA 3.26Å; K541-R545 PolarHBondContact O-N 2.8Å; R545-E563 WeakPolarHBondContact CD-OE2 3.38Å; R545-E563 IonicContact CZ-OE2 2.65Å; R545-E563 IonicContact NE-OE2 3.73Å; R545-E563 IonicContact NH1-OE2 2.58Å; R545-E563 PolarHBondContact NH1-OE2 3.21Å; R545-T564 HydrophobicContact CG-CG2 4.4Å
546	N	77.3	Confident	80.2	Confident	31 Å²	31	37.9 Å²	37.9	17%	0.166	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	48.1	-176.1	-158	12.1	0	0	0	112.3	M471 D472 Q477 F544 Y548 G549	M471-N546 PolarHBondContact O-ND2 2.95Å; D472-N546 PolarHBondContact OD1-ND2 3.22Å; Q477-N546 PolarHBondContact NE2-OD1 3.03Å; F544-N546 PolarHBondContact O-N 2.03Å; F544-N546 VanDerWaalsContact O-N 3.16Å; N546-Y548 VanDerWaalsContact C-N 3.29Å; N546-Y548 PolarHBondContact O-N 3.15Å; N546-Y548 VanDerWaalsContact O-N 3.09Å; N546-G549 WeakPolarHBondContact O-CA 3.11Å; N546-G549 PolarHBondContact O-N 3.1Å
547	F	82.6	Confident	79.2	Confident	15 Å²	15	35.5 Å²	35.5	7%	0.066	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-40	-171.9	-177.5	-110	0	0	0	116.3	M484 P537 F544 P556 A567 Y570	M484-F547 HydrophobicContact CE-CE1 4.22Å; P537-F547 HydrophobicContact CB-CB 4.02Å; P537-F547 HydrophobicContact CB-CD1 3.7Å; P537-F547 HydrophobicContact CB-CE1 4.49Å; P537-F547 HydrophobicContact CB-CG 4.09Å; P537-F547 HydrophobicContact CG-CD1 3.8Å; P537-F547 HydrophobicContact CG-CE1 4.1Å; F544-F547 HydrophobicContact CB-CB 4.27Å; F544-F547 PolarHBondContact O-N 3.23Å; F547-P556 HydrophobicContact CD1-CB 4.22Å; F547-P556 HydrophobicContact CD1-CG 4.18Å; F547-P556 HydrophobicContact CE1-CB 3.77Å; F547-P556 HydrophobicContact CE1-CG 3.55Å; F547-P556 HydrophobicContact CE2-CB 4.2Å; F547-P556 HydrophobicContact CZ-CB 3.76Å; F547-P556 HydrophobicContact CZ-CG 3.9Å; F547-A567 HydrophobicContact CD2-CB 3.93Å; F547-A567 HydrophobicContact CE2-CB 4.28Å; F547-Y570 HydrophobicContact CE1-CD1 4.24Å; F547-Y570 HydrophobicContact CE1-CE1 4.41Å; F547-Y570 AromaticContact CZ-CD1 3.93Å; F547-Y570 HydrophobicContact CZ-CD1 3.93Å
548	Y	84.9	Confident	77.9	Confident	3 Å²	3	36.1 Å²	36.1	1%	0.012	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-22.5	176.9	-69	-76.9	0	0	0	113.1	M484 A534 P537 L538 N546 T550 C554 P556	M484-Y548 HydrophobicContact CB-CE1 4.25Å; M484-Y548 HydrophobicContact CE-CE1 4.32Å; M484-Y548 HydrophobicContact SD-CE1 4.21Å; M484-Y548 PolarHBondContact SD-OH 3.15Å; A534-Y548 PolarHBondContact O-OH 2.52Å; P537-Y548 HydrophobicContact CB-CE2 3.84Å; P537-Y548 HydrophobicContact CG-CE2 3.97Å; L538-Y548 HydrophobicContact CD1-CD2 3.78Å; L538-Y548 HydrophobicContact CD1-CE2 3.46Å; L538-Y548 VanDerWaalsContact CD1-CE2 3.46Å; L538-Y548 HydrophobicContact CG-CD2 4.43Å; L538-Y548 HydrophobicContact CG-CE2 4.48Å; N546-Y548 VanDerWaalsContact C-N 3.29Å; N546-Y548 PolarHBondContact O-N 3.15Å; N546-Y548 VanDerWaalsContact O-N 3.09Å; Y548-T550 VanDerWaalsContact C-N 3.35Å; Y548-T550 PolarHBondContact O-N 3.05Å; Y548-C554 CarbonylContact O-C 3.22Å; Y548-C554 WeakPolarHBondContact O-CA 3.15Å; Y548-P556 HydrophobicContact CD1-CG 4.01Å; Y548-P556 HydrophobicContact CE1-CG 3.9Å
549	G	78.9	Confident	76.2	Confident	5 Å²	5	35.4 Å²	35.4	5%	0.052	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	21.3	-174.8	0	0	0	0	0	114.8	M471 N546 N551	M471-G549 WeakPolarHBondContact CB-O 3.35Å; M471-G549 WeakPolarHBondContact O-CA 3.32Å; N546-G549 WeakPolarHBondContact O-CA 3.11Å; N546-G549 PolarHBondContact O-N 3.1Å; G549-N551 VanDerWaalsContact C-N 3.33Å
550	T	74.4	Confident	74.4	Confident	55 Å²	55	37.9 Å²	37.9	34%	0.337	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-20.6	-179.7	57.2	0	0	0	0	113.6	Y548	Y548-T550 VanDerWaalsContact C-N 3.35Å; Y548-T550 PolarHBondContact O-N 3.05Å
551	N	77.3	Confident	72.9	Confident	25 Å²	25	39.3 Å²	39.3	13%	0.134	21%	0.209	C	C	.	.	S	Bend	trans	-141.1	152.4	-175.1	-53	52	0	0	0	109.1	I387 G549 V553 C554	I387-N551 HydrophobicContact CD1-CB 4.47Å; G549-N551 VanDerWaalsContact C-N 3.33Å; N551-V553 PolarHBondContact O-N 2.84Å; N551-C554 PolarHBondContact O-N 3.34Å
552	G	77.4	Confident	71.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.9	-177.3	0	0	0	0	0	115.4	L393 Y463 W470 C554	L393-G552 WeakPolarHBondContact CD1-O 3.38Å; Y463-G552 WeakPolarHBondContact OH-CA 3.39Å; W470-G552 PolarHBondContact NE1-O 3.41Å; G552-C554 VanDerWaalsContact C-N 3.29Å; G552-C554 PolarHBondContact O-N 3.13Å
553	V	85.3	Confident	71	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.03	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	0.9	-179.8	173.2	0	0	0	0	113.3	I387 L394 Y448 N551 F555 V657 I658	I387-V553 HydrophobicContact CG2-CG2 3.6Å; L394-V553 HydrophobicContact CD2-CG2 4Å; Y448-V553 WeakPolarHBondContact OH-CG1 3.16Å; Y448-V553 PolarHBondContact OH-O 3.21Å; N551-V553 PolarHBondContact O-N 2.84Å; V553-F555 VanDerWaalsContact C-N 3.31Å; V553-F555 PolarHBondContact O-N 3.21Å; V553-V657 HydrophobicContact CG1-CG1 3.79Å; V553-I658 HydrophobicContact CG1-CG1 4.33Å; V553-I658 HydrophobicContact CG2-CD1 4.25Å
554	C	87.8	Confident	70.6	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.			trans	62.9	23.7	171.3	-50	0	0	0	0	116	C476 G480 Y548 N551 G552	C476-C554 WeakPolarHBondContact CA-SG 3.23Å; C476-C554 HydrophobicContact CB-CB 4.18Å; C476-C554 WeakPolarHBondContact CB-SG 3.4Å; C476-C554 WeakPolarHBondContact O-CB 3.38Å; C476-C554 WeakPolarHBondContact SG-CB 3.28Å; C476-C554 CovalentContact SG-SG 2.03Å; C476-C554 PolarHBondContact SG-SG 2.96Å; G480-C554 WeakPolarHBondContact CA-O 3.39Å; Y548-C554 CarbonylContact O-C 3.22Å; Y548-C554 WeakPolarHBondContact O-CA 3.15Å; N551-C554 PolarHBondContact O-N 3.34Å; G552-C554 VanDerWaalsContact C-N 3.29Å; G552-C554 PolarHBondContact O-N 3.13Å
555	F	86.8	Confident	70.7	Confident	6 Å²	6	38.3 Å²	38.3	3%	0.026	20%	0.196	C	C	.	.			trans	-125.4	124.4	-174.1	-167.9	-84.8	0	0	0	112.8	A483 V553 L557 F575 V657 L661	A483-F555 HydrophobicContact CB-CD2 3.63Å; A483-F555 HydrophobicContact CB-CE2 3.76Å; V553-F555 VanDerWaalsContact C-N 3.31Å; V553-F555 PolarHBondContact O-N 3.21Å; F555-L557 VanDerWaalsContact C-N 3.3Å; F555-L557 HydrophobicContact CD1-CB 3.83Å; F555-L557 HydrophobicContact CE1-CB 3.97Å; F555-L557 HydrophobicContact CE1-CD1 4.25Å; F555-L557 PolarHBondContact O-N 3.32Å; F555-F575 AromaticContact CE1-CE1 3.9Å; F555-F575 HydrophobicContact CE1-CE1 3.9Å; F555-F575 AromaticContact CE1-CZ 3.69Å; F555-F575 HydrophobicContact CE1-CZ 3.69Å; F555-F575 AromaticContact CZ-CE1 3.77Å; F555-F575 HydrophobicContact CZ-CE1 3.77Å; F555-F575 AromaticContact CZ-CZ 3.75Å; F555-F575 HydrophobicContact CZ-CZ 3.75Å; F555-V657 HydrophobicContact CB-CG1 3.76Å; F555-V657 HydrophobicContact CB-CG2 4.34Å; F555-V657 HydrophobicContact CD1-CG1 4.13Å; F555-V657 HydrophobicContact CD1-CG2 3.61Å; F555-V657 HydrophobicContact CE1-CG2 4.26Å; F555-V657 HydrophobicContact CG-CG1 3.89Å; F555-V657 HydrophobicContact CG-CG2 4.19Å; F555-L661 HydrophobicContact CE1-CD1 4.05Å; F555-L661 HydrophobicContact CE2-CD1 4.44Å; F555-L661 HydrophobicContact CZ-CD1 3.7Å
556	P	78.7	Confident	70.8	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.013	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	48.1	-166.5	36.5	-37.9	0	0	0	114	M484 F547 Y548 F575	M484-P556 HydrophobicContact CE-CG 3.65Å; F547-P556 HydrophobicContact CD1-CB 4.22Å; F547-P556 HydrophobicContact CD1-CG 4.18Å; F547-P556 HydrophobicContact CE1-CB 3.77Å; F547-P556 HydrophobicContact CE1-CG 3.55Å; F547-P556 HydrophobicContact CE2-CB 4.2Å; F547-P556 HydrophobicContact CZ-CB 3.76Å; F547-P556 HydrophobicContact CZ-CG 3.9Å; Y548-P556 HydrophobicContact CD1-CG 4.01Å; Y548-P556 HydrophobicContact CE1-CG 3.9Å; P556-F575 HydrophobicContact CG-CE2 4.19Å; P556-F575 HydrophobicContact CG-CZ 4.34Å; P556-F575 VanDerWaalsContact O-CE2 3.27Å; P556-F575 WeakPolarHBondContact O-CE2 2.88Å
557	L	69.9	Low	70.8	Confident	11 Å²	11	38.5 Å²	38.5	6%	0.058	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-51.5	177.5	-170.3	74.7	0	0	0	111.1	F555 I635 L638 K639 V656 V657	F555-L557 VanDerWaalsContact C-N 3.3Å; F555-L557 HydrophobicContact CD1-CB 3.83Å; F555-L557 HydrophobicContact CE1-CB 3.97Å; F555-L557 HydrophobicContact CE1-CD1 4.25Å; F555-L557 PolarHBondContact O-N 3.32Å; L557-I635 HydrophobicContact CD1-CG1 4.25Å; L557-I635 HydrophobicContact CD1-CG2 3.86Å; L557-L638 HydrophobicContact CD2-CD1 4.15Å; L557-K639 PolarHBondContact O-NZ 2.83Å; L557-V656 HydrophobicContact CD2-CB 3.94Å; L557-V656 HydrophobicContact CD2-CG1 3.79Å; L557-V657 HydrophobicContact CB-CG2 3.92Å; L557-V657 HydrophobicContact CD2-CG2 3.82Å; L557-V657 HydrophobicContact CG-CG2 4.44Å
558	H	60.3	Low	70.5	Confident	16 Å²	16	40.6 Å²	40.6	7%	0.074	21%	0.206	C	C	.	.			trans	-122.5	93.4	-172.1	-174.1	56.7	0	0	0	108.7	E560 I648	H558-E560 IonicContact CD2-OE1 3.81Å; H558-E560 IonicContact CE1-OE1 3.63Å; H558-E560 WeakPolarHBondContact NE2-CG 3.48Å; H558-E560 IonicContact NE2-OE1 3.67Å; H558-E560 PolarHBondContact NE2-OE1 3.01Å; H558-I648 PolarHBondContact NE2-O 2.73Å
559	S	50.9	Low	70.4	Confident	19 Å²	19	44.3 Å²	44.3	13%	0.133	23%	0.229	C	C	.	.			trans	-95.7	95.7	170.7	-177.7	0	0	0	0	106.6	Q561 P562	S559-Q561 PolarHBondContact O-N 3.37Å; S559-P562 WeakPolarHBondContact OG-CA 3.49Å
560	E	47	Very low	70.8	Confident	132 Å²	132	45.6 Å²	45.6	62%	0.617	23%	0.232	S	C	*	.	S	Bend	trans	-58.1	-35.2	-178.1	-73	-175.5	155.9	0	0	111.6	H558	H558-E560 IonicContact CD2-OE1 3.81Å; H558-E560 IonicContact CE1-OE1 3.63Å; H558-E560 WeakPolarHBondContact NE2-CG 3.48Å; H558-E560 IonicContact NE2-OE1 3.67Å; H558-E560 PolarHBondContact NE2-OE1 3.01Å
561	Q	50.8	Low	71.3	Confident	77 Å²	77	43.1 Å²	43.1	36%	0.36	22%	0.217	S	C	.	.	S	Bend	trans	-141.5	106.8	169.9	-61.1	-177.1	-86.5	0	0	109.2	E345 K366 S559 E563	E345-Q561 PolarHBondContact OE1-OE1 3.15Å; E345-Q561 PolarHBondContact OE2-NE2 3.43Å; E345-Q561 PolarHBondContact OE2-OE1 3.03Å; K366-Q561 VanDerWaalsContact NZ-CD 3.28Å; S559-Q561 PolarHBondContact O-N 3.37Å; Q561-E563 PolarHBondContact O-N 3.37Å
562	P	48.8	Very low	71.7	Confident	40 Å²	40	43.9 Å²	43.9	26%	0.26	22%	0.221	S	C	.	.			trans	-74.5	110.5	172	28.7	-31.3	0	0	0	108.7	S559 T564 A567 H568	S559-P562 WeakPolarHBondContact OG-CA 3.49Å; P562-T564 PolarHBondContact O-N 3.01Å; P562-A567 HydrophobicContact CB-CB 4.45Å; P562-H568 HydrophobicContact CB-CB 3.93Å; P562-H568 HydrophobicContact CG-CB 3.56Å
563	E	54.1	Low	72.2	Confident	108 Å²	108	47.7 Å²	47.7	51%	0.505	24%	0.244	S	C	.	.	S	Bend	trans	-56.5	-14	179.6	-63.9	-174.3	-170.7	0	0	114.3	R545 Q561	R545-E563 WeakPolarHBondContact CD-OE2 3.38Å; R545-E563 IonicContact CZ-OE2 2.65Å; R545-E563 IonicContact NE-OE2 3.73Å; R545-E563 IonicContact NH1-OE2 2.58Å; R545-E563 PolarHBondContact NH1-OE2 3.21Å; Q561-E563 PolarHBondContact O-N 3.37Å
564	T	63.5	Low	72.3	Confident	20 Å²	20	47.9 Å²	47.9	12%	0.123	25%	0.245	C	C	.	.	S	Bend	trans	-133.3	141.6	170.5	71.4	0	0	0	0	111.5	L543 R545 P562 W566 A567 H568	L543-T564 PolarHBondContact O-OG1 2.77Å; R545-T564 HydrophobicContact CG-CG2 4.4Å; P562-T564 PolarHBondContact O-N 3.01Å; T564-W566 PolarHBondContact O-N 3.01Å; T564-A567 PolarHBondContact O-N 3.09Å; T564-A567 WeakPolarHBondContact OG1-CB 3.33Å; T564-A567 PolarHBondContact OG1-N 3.07Å; T564-H568 PolarHBondContact O-N 3.27Å
565	P	72.7	Confident	72.1	Confident	99 Å²	99	48 Å²	48	64%	0.643	25%	0.245	S	C	*	.	H	α-helix	trans	-62	-27.9	177.4	24.6	-34.2	0	0	0	112.5	H568 V569	P565-H568 WeakPolarHBondContact O-CB 3.49Å; P565-H568 PolarHBondContact O-N 2.96Å; P565-V569 WeakPolarHBondContact O-CG2 3.16Å; P565-V569 PolarHBondContact O-N 2.89Å; P565-V569 VanDerWaalsContact O-N 3.15Å
566	W	77.7	Confident	71.9	Confident	163 Å²	163	49.3 Å²	49.3	62%	0.617	25%	0.253	S	S	*	.	H	α-helix	trans	-66	-41	177.1	-61.7	107.3	0	0	0	112.9	L543 F544 T564 H568 V569 Y570	L543-W566 HydrophobicContact CD2-CB 4.37Å; L543-W566 HydrophobicContact CD2-CD2 4.29Å; L543-W566 HydrophobicContact CD2-CG 3.89Å; F544-W566 HydrophobicContact CE1-CB 4.42Å; T564-W566 PolarHBondContact O-N 3.01Å; W566-H568 VanDerWaalsContact C-N 3.3Å; W566-H568 PolarHBondContact O-N 3.32Å; W566-V569 PolarHBondContact O-N 3.02Å; W566-Y570 VanDerWaalsContact O-CB 3.3Å; W566-Y570 WeakPolarHBondContact O-CB 3.06Å; W566-Y570 PolarHBondContact O-N 3.19Å
567	A	76.4	Confident	72.4	Confident	8 Å²	8	50.8 Å²	50.8	7%	0.066	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-37.5	175	0	0	0	0	0	112.1	F544 F547 P562 T564 S571	F544-A567 HydrophobicContact CD1-CB 4.23Å; F547-A567 HydrophobicContact CD2-CB 3.93Å; F547-A567 HydrophobicContact CE2-CB 4.28Å; P562-A567 HydrophobicContact CB-CB 4.45Å; T564-A567 PolarHBondContact O-N 3.09Å; T564-A567 WeakPolarHBondContact OG1-CB 3.33Å; T564-A567 PolarHBondContact OG1-N 3.07Å; A567-S571 WeakPolarHBondContact O-CB 3.48Å; A567-S571 PolarHBondContact O-N 3.19Å
568	H	76.9	Confident	73.3	Confident	59 Å²	59	51.9 Å²	51.9	27%	0.273	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-54.2	176.3	-167.2	-130	0	0	0	112.1	P562 T564 P565 W566 Y570 S571 I572	P562-H568 HydrophobicContact CB-CB 3.93Å; P562-H568 HydrophobicContact CG-CB 3.56Å; T564-H568 PolarHBondContact O-N 3.27Å; P565-H568 WeakPolarHBondContact O-CB 3.49Å; P565-H568 PolarHBondContact O-N 2.96Å; W566-H568 VanDerWaalsContact C-N 3.3Å; W566-H568 PolarHBondContact O-N 3.32Å; H568-Y570 VanDerWaalsContact C-N 3.27Å; H568-Y570 PolarHBondContact O-N 2.98Å; H568-S571 PolarHBondContact O-N 3.35Å; H568-I572 WeakPolarHBondContact O-CG1 3.03Å; H568-I572 PolarHBondContact O-N 3.31Å
569	V	83.4	Confident	74.5	Confident	81 Å²	81	51.3 Å²	51.3	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-58.1	-42.4	178.9	173.9	0	0	0	0	110.6	P565 W566 I572 V573	P565-V569 WeakPolarHBondContact O-CG2 3.16Å; P565-V569 PolarHBondContact O-N 2.89Å; P565-V569 VanDerWaalsContact O-N 3.15Å; W566-V569 PolarHBondContact O-N 3.02Å; V569-I572 PolarHBondContact O-N 3.14Å; V569-V573 HydrophobicContact CG1-CG2 4.26Å; V569-V573 VanDerWaalsContact O-CG2 3.3Å; V569-V573 WeakPolarHBondContact O-CG2 3.35Å; V569-V573 PolarHBondContact O-N 3.44Å
570	Y	86.9	Confident	76.3	Confident	31 Å²	31	53.9 Å²	53.9	12%	0.122	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-49.9	177.9	-169.9	-102.1	0	0	0	112.7	V533 L536 P537 F544 F547 W566 H568 I572 V573 I574	V533-Y570 WeakPolarHBondContact CA-OH 3.15Å; V533-Y570 PolarHBondContact O-OH 3.26Å; L536-Y570 HydrophobicContact CD2-CE2 4.01Å; P537-Y570 HydrophobicContact CG-CD1 4.37Å; P537-Y570 HydrophobicContact CG-CE1 3.8Å; F544-Y570 HydrophobicContact CE1-CD2 4.41Å; F544-Y570 HydrophobicContact CE1-CG 4.01Å; F544-Y570 HydrophobicContact CZ-CD2 4.39Å; F544-Y570 HydrophobicContact CZ-CG 4.43Å; F547-Y570 HydrophobicContact CE1-CD1 4.24Å; F547-Y570 HydrophobicContact CE1-CE1 4.41Å; F547-Y570 AromaticContact CZ-CD1 3.93Å; F547-Y570 HydrophobicContact CZ-CD1 3.93Å; W566-Y570 VanDerWaalsContact O-CB 3.3Å; W566-Y570 WeakPolarHBondContact O-CB 3.06Å; W566-Y570 PolarHBondContact O-N 3.19Å; H568-Y570 VanDerWaalsContact C-N 3.27Å; H568-Y570 PolarHBondContact O-N 2.98Å; Y570-I572 VanDerWaalsContact C-N 3.29Å; Y570-I572 PolarHBondContact O-N 3.12Å; Y570-V573 PolarHBondContact O-N 2.88Å; Y570-I574 HydrophobicContact CD1-CG1 4.42Å; Y570-I574 HydrophobicContact CE1-CG1 4.01Å; Y570-I574 HydrophobicContact CE2-CD1 4.48Å; Y570-I574 HydrophobicContact CE2-CG1 4.27Å; Y570-I574 WeakPolarHBondContact O-CG1 3.46Å; Y570-I574 PolarHBondContact O-N 2.68Å
571	S	84.9	Confident	78.4	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-38.2	177.2	-177.9	0	0	0	0	112.3	A567 H568 F575 K639	A567-S571 WeakPolarHBondContact O-CB 3.48Å; A567-S571 PolarHBondContact O-N 3.19Å; H568-S571 PolarHBondContact O-N 3.35Å; S571-F575 WeakPolarHBondContact O-CB 3.2Å; S571-F575 WeakPolarHBondContact O-CD2 3.23Å; S571-F575 PolarHBondContact O-N 3.38Å; S571-K639 WeakPolarHBondContact OG-CE 3.49Å; S571-K639 PolarHBondContact OG-NZ 3.16Å
572	I	85.3	Confident	80.2	Confident	41 Å²	41	48.2 Å²	48.2	21%	0.21	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-48.6	174.8	-64.8	161	0	0	0	111.3	H568 V569 Y570 I574 L576 G577 L643	H568-I572 WeakPolarHBondContact O-CG1 3.03Å; H568-I572 PolarHBondContact O-N 3.31Å; V569-I572 PolarHBondContact O-N 3.14Å; Y570-I572 VanDerWaalsContact C-N 3.29Å; Y570-I572 PolarHBondContact O-N 3.12Å; I572-I574 VanDerWaalsContact C-N 3.3Å; I572-I574 PolarHBondContact O-N 3.33Å; I572-L576 HydrophobicContact CG2-CB 4.5Å; I572-L576 HydrophobicContact CG2-CD2 4.5Å; I572-L576 WeakPolarHBondContact O-CA 3.41Å; I572-L576 WeakPolarHBondContact O-CB 3.37Å; I572-L576 PolarHBondContact O-N 2.58Å; I572-G577 PolarHBondContact O-N 3.12Å; I572-L643 HydrophobicContact CD1-CD2 3.71Å; I572-L643 HydrophobicContact CG1-CD2 4.16Å
573	V	88.6	Confident	82	Confident	80 Å²	80	49 Å²	49	49%	0.485	26%	0.262	S	S	.	.	I	π-helix	trans	-61.6	-38.4	-176.2	168.2	0	0	0	0	111.7	V569 Y570 G577 L578	V569-V573 HydrophobicContact CG1-CG2 4.26Å; V569-V573 VanDerWaalsContact O-CG2 3.3Å; V569-V573 WeakPolarHBondContact O-CG2 3.35Å; V569-V573 PolarHBondContact O-N 3.44Å; Y570-V573 PolarHBondContact O-N 2.88Å; V573-G577 CarbonylContact O-C 3.5Å; V573-G577 VanDerWaalsContact O-CA 3.26Å; V573-G577 WeakPolarHBondContact O-CA 3.27Å; V573-G577 PolarHBondContact O-N 2.88Å; V573-L578 PolarHBondContact O-N 3.06Å
574	I	87.2	Confident	83.7	Confident	9 Å²	9	48.8 Å²	48.8	5%	0.046	26%	0.264	C	S	.	.	I	π-helix	trans	-76.8	-65.7	177.1	-58.6	-53.7	0	0	0	111	E488 V533 Y570 I572 L576 N579	E488-I574 HydrophobicContact CG-CG2 3.96Å; E488-I574 WeakPolarHBondContact OE2-CG2 3.36Å; V533-I574 HydrophobicContact CG1-CD1 3.67Å; V533-I574 HydrophobicContact CG1-CG1 4.06Å; V533-I574 HydrophobicContact CG1-CG2 4.18Å; V533-I574 HydrophobicContact CG2-CD1 4.14Å; Y570-I574 HydrophobicContact CD1-CG1 4.42Å; Y570-I574 HydrophobicContact CE1-CG1 4.01Å; Y570-I574 HydrophobicContact CE2-CD1 4.48Å; Y570-I574 HydrophobicContact CE2-CG1 4.27Å; Y570-I574 WeakPolarHBondContact O-CG1 3.46Å; Y570-I574 PolarHBondContact O-N 2.68Å; I572-I574 VanDerWaalsContact C-N 3.3Å; I572-I574 PolarHBondContact O-N 3.33Å; I574-L576 PolarHBondContact O-N 2.03Å; I574-N579 PolarHBondContact O-ND2 3.48Å; I574-N579 VanDerWaalsContact O-ND2 3.14Å
575	F	82.3	Confident	84.9	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.009	27%	0.274	C	S	.	.	I	π-helix	trans	-69.6	-32.2	-169.6	-72	-66.3	0	0	0	114.5	M484 F555 P556 S571 W632 F636	M484-F575 HydrophobicContact CE-CE1 4.42Å; M484-F575 HydrophobicContact CE-CE2 3.65Å; M484-F575 HydrophobicContact CE-CZ 3.47Å; M484-F575 VanDerWaalsContact CE-CZ 3.47Å; F555-F575 AromaticContact CE1-CE1 3.9Å; F555-F575 HydrophobicContact CE1-CE1 3.9Å; F555-F575 AromaticContact CE1-CZ 3.69Å; F555-F575 HydrophobicContact CE1-CZ 3.69Å; F555-F575 AromaticContact CZ-CE1 3.77Å; F555-F575 HydrophobicContact CZ-CE1 3.77Å; F555-F575 AromaticContact CZ-CZ 3.75Å; F555-F575 HydrophobicContact CZ-CZ 3.75Å; P556-F575 HydrophobicContact CG-CE2 4.19Å; P556-F575 HydrophobicContact CG-CZ 4.34Å; P556-F575 VanDerWaalsContact O-CE2 3.27Å; P556-F575 WeakPolarHBondContact O-CE2 2.88Å; S571-F575 WeakPolarHBondContact O-CB 3.2Å; S571-F575 WeakPolarHBondContact O-CD2 3.23Å; S571-F575 PolarHBondContact O-N 3.38Å; F575-W632 HydrophobicContact CD1-CZ3 4.4Å; F575-F636 WeakPolarHBondContact O-CE1 3.27Å
576	L	84.3	Confident	85.6	Confident	35 Å²	35	46.5 Å²	46.5	18%	0.183	25%	0.245	C	C	.	.	I	π-helix	trans	-101.8	-51.4	177.3	-175.3	63.6	0	0	0	111.3	I572 I574 L580 F636 L643	I572-L576 HydrophobicContact CG2-CB 4.5Å; I572-L576 HydrophobicContact CG2-CD2 4.5Å; I572-L576 WeakPolarHBondContact O-CA 3.41Å; I572-L576 WeakPolarHBondContact O-CB 3.37Å; I572-L576 PolarHBondContact O-N 2.58Å; I574-L576 PolarHBondContact O-N 2.03Å; L576-L580 WeakPolarHBondContact O-CB 2.93Å; L576-L580 PolarHBondContact O-N 3.31Å; L576-F636 HydrophobicContact CD1-CD1 3.79Å; L576-F636 HydrophobicContact CD1-CE1 4.38Å; L576-L643 HydrophobicContact CD2-CD1 4.07Å
577	G	87.3	Confident	86	Confident	32 Å²	32	42 Å²	42	33%	0.33	24%	0.236	S	C	.	.	I	π-helix	trans	-63.9	-63.9	-172.8	0	0	0	0	0	114	I572 V573 L580 V581	I572-G577 PolarHBondContact O-N 3.12Å; V573-G577 CarbonylContact O-C 3.5Å; V573-G577 VanDerWaalsContact O-CA 3.26Å; V573-G577 WeakPolarHBondContact O-CA 3.27Å; V573-G577 PolarHBondContact O-N 2.88Å; G577-L580 PolarHBondContact O-N 3.28Å; G577-V581 WeakPolarHBondContact O-CG2 3.25Å; G577-V581 PolarHBondContact O-N 3.48Å; G577-V581 VanDerWaalsContact O-N 3.12Å
578	L	89.1	Confident	86.6	Confident	34 Å²	34	48 Å²	48	18%	0.178	26%	0.26	C	S	.	.	I	π-helix	trans	-64	-47.8	-174.9	-172.7	151.2	0	0	0	111.5	L492 F529 V573 L580 V581 A582	L492-L578 HydrophobicContact CD2-CD2 4.09Å; L492-L578 HydrophobicContact CG-CD2 4.37Å; F529-L578 HydrophobicContact CE1-CD1 3.6Å; F529-L578 HydrophobicContact CZ-CD1 3.78Å; V573-L578 PolarHBondContact O-N 3.06Å; L578-L580 PolarHBondContact O-N 2.75Å; L578-V581 PolarHBondContact O-N 3.38Å; L578-A582 WeakPolarHBondContact O-CB 3.22Å; L578-A582 PolarHBondContact O-N 3.18Å
579	N	86.8	Confident	87	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-34.2	-178.5	-70.7	-51.3	0	0	0	112.7	E488 V491 I574 F583 W632 F636	E488-N579 PolarHBondContact OE1-ND2 2.8Å; E488-N579 PolarHBondContact OE2-ND2 2.92Å; V491-N579 WeakPolarHBondContact CG1-OD1 3.41Å; I574-N579 PolarHBondContact O-ND2 3.48Å; I574-N579 VanDerWaalsContact O-ND2 3.14Å; N579-F583 VanDerWaalsContact O-CB 3.31Å; N579-F583 WeakPolarHBondContact O-CB 3.23Å; N579-F583 PolarHBondContact O-N 2.86Å; N579-W632 HydrophobicContact CB-CE3 4.38Å; N579-W632 HydrophobicContact CB-CZ3 4.21Å; N579-W632 WeakPolarHBondContact ND2-CH2 3.3Å; N579-F636 HydrophobicContact CB-CE1 4.08Å; N579-F636 HydrophobicContact CB-CZ 4.11Å
580	L	87.7	Confident	87	Confident	74 Å²	74	42.1 Å²	42.1	39%	0.387	23%	0.228	S	C	.	.	H	α-helix	trans	-66.9	-41.7	171.7	-179.8	63.6	0	0	0	112.1	L576 G577 L578 F583 L584	L576-L580 WeakPolarHBondContact O-CB 2.93Å; L576-L580 PolarHBondContact O-N 3.31Å; G577-L580 PolarHBondContact O-N 3.28Å; L578-L580 PolarHBondContact O-N 2.75Å; L580-F583 WeakPolarHBondContact O-CB 3.45Å; L580-F583 PolarHBondContact O-N 3.39Å; L580-L584 HydrophobicContact CD1-CD1 4.42Å; L580-L584 HydrophobicContact CD1-CG 4.34Å; L580-L584 HydrophobicContact CG-CD1 4.15Å; L580-L584 HydrophobicContact CG-CG 4.49Å; L580-L584 VanDerWaalsContact O-CG 3.29Å; L580-L584 WeakPolarHBondContact O-CG 3.15Å; L580-L584 PolarHBondContact O-N 3.44Å
581	V	91.1	Very high	86.8	Confident	84 Å²	84	43.6 Å²	43.6	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-63.6	-45.1	177.2	170.1	0	0	0	0	110.9	G577 L578 F583 L584 I585	G577-V581 WeakPolarHBondContact O-CG2 3.25Å; G577-V581 PolarHBondContact O-N 3.48Å; G577-V581 VanDerWaalsContact O-N 3.12Å; L578-V581 PolarHBondContact O-N 3.38Å; V581-F583 VanDerWaalsContact C-N 3.34Å; V581-F583 PolarHBondContact O-N 3.1Å; V581-L584 PolarHBondContact O-N 2.99Å; V581-I585 HydrophobicContact CG1-CD1 3.9Å; V581-I585 VanDerWaalsContact O-CG1 3.31Å; V581-I585 WeakPolarHBondContact O-CG1 3.46Å; V581-I585 PolarHBondContact O-N 2.99Å
582	A	89.4	Confident	86.7	Confident	5 Å²	5	44.6 Å²	44.6	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-55	-49.5	172.9	0	0	0	0	0	111.5	V491 T495 L578 L584 I585 I586	V491-A582 HydrophobicContact CG1-CB 3.58Å; T495-A582 WeakPolarHBondContact OG1-CB 3.19Å; L578-A582 WeakPolarHBondContact O-CB 3.22Å; L578-A582 PolarHBondContact O-N 3.18Å; A582-L584 PolarHBondContact O-N 3.31Å; A582-I585 PolarHBondContact O-N 2.96Å; A582-I586 WeakPolarHBondContact O-CB 3.39Å; A582-I586 VanDerWaalsContact O-CG1 3.24Å; A582-I586 WeakPolarHBondContact O-CG1 3.5Å; A582-I586 PolarHBondContact O-N 3.15Å
583	F	86.8	Confident	86.4	Confident	57 Å²	57	42.9 Å²	42.9	25%	0.25	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-45.6	177.9	-170.7	-86.5	0	0	0	113.2	N579 L580 V581 I585 I586 V587 S629	N579-F583 VanDerWaalsContact O-CB 3.31Å; N579-F583 WeakPolarHBondContact O-CB 3.23Å; N579-F583 PolarHBondContact O-N 2.86Å; L580-F583 WeakPolarHBondContact O-CB 3.45Å; L580-F583 PolarHBondContact O-N 3.39Å; V581-F583 VanDerWaalsContact C-N 3.34Å; V581-F583 PolarHBondContact O-N 3.1Å; F583-I585 PolarHBondContact O-N 3.15Å; F583-I586 WeakPolarHBondContact O-CB 3.48Å; F583-I586 PolarHBondContact O-N 2.99Å; F583-V587 HydrophobicContact CD1-CG2 3.85Å; F583-V587 HydrophobicContact CE1-CG2 3.51Å; F583-V587 HydrophobicContact CZ-CG2 4.03Å; F583-V587 WeakPolarHBondContact O-CG2 3.17Å; F583-V587 PolarHBondContact O-N 3.43Å; F583-S629 VanDerWaalsContact CE2-CB 3.5Å; F583-S629 VanDerWaalsContact CE2-OG 3.24Å; F583-S629 WeakPolarHBondContact CE2-OG 3.11Å
584	L	89.1	Confident	86	Confident	104 Å²	104	41.7 Å²	41.7	55%	0.545	23%	0.233	S	C	.	.	H	α-helix	trans	-62.8	-42	178.4	-71.7	171.1	0	0	0	111.9	L580 V581 A582 I586 V587 F588	L580-L584 HydrophobicContact CD1-CD1 4.42Å; L580-L584 HydrophobicContact CD1-CG 4.34Å; L580-L584 HydrophobicContact CG-CD1 4.15Å; L580-L584 HydrophobicContact CG-CG 4.49Å; L580-L584 VanDerWaalsContact O-CG 3.29Å; L580-L584 WeakPolarHBondContact O-CG 3.15Å; L580-L584 PolarHBondContact O-N 3.44Å; V581-L584 PolarHBondContact O-N 2.99Å; A582-L584 PolarHBondContact O-N 3.31Å; L584-I586 VanDerWaalsContact C-N 3.35Å; L584-V587 PolarHBondContact O-N 2.67Å; L584-F588 VanDerWaalsContact O-CB 3.27Å; L584-F588 WeakPolarHBondContact O-CB 3.47Å; L584-F588 PolarHBondContact O-N 3.2Å
585	I	89.4	Confident	85.7	Confident	63 Å²	63	47.8 Å²	47.8	32%	0.323	26%	0.256	S	S	.	.	H	α-helix	trans	-61	-45.5	174.7	-69.1	165.8	0	0	0	110.5	T495 L499 V581 A582 F583 S589	T495-I585 HydrophobicContact CG2-CB 4.3Å; T495-I585 HydrophobicContact CG2-CG2 3.89Å; L499-I585 HydrophobicContact CD1-CG2 4.04Å; L499-I585 HydrophobicContact CD2-CG2 3.82Å; L499-I585 HydrophobicContact CG-CG2 4.02Å; V581-I585 HydrophobicContact CG1-CD1 3.9Å; V581-I585 VanDerWaalsContact O-CG1 3.31Å; V581-I585 WeakPolarHBondContact O-CG1 3.46Å; V581-I585 PolarHBondContact O-N 2.99Å; A582-I585 PolarHBondContact O-N 2.96Å; F583-I585 PolarHBondContact O-N 3.15Å; I585-S589 VanDerWaalsContact O-CB 3.25Å; I585-S589 WeakPolarHBondContact O-CB 3.28Å; I585-S589 PolarHBondContact O-N 2.79Å; I585-S589 PolarHBondContact O-OG 3.31Å
586	I	86.7	Confident	85.4	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.036	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-55.7	177.6	-72.9	167.6	0	0	0	110.2	T495 T498 A582 F583 L584 F588 S589 Y590 V625	T495-I586 HydrophobicContact CG2-CG1 4.38Å; T498-I586 HydrophobicContact CG2-CG1 4.18Å; T498-I586 HydrophobicContact CG2-CG2 4.29Å; A582-I586 WeakPolarHBondContact O-CB 3.39Å; A582-I586 VanDerWaalsContact O-CG1 3.24Å; A582-I586 WeakPolarHBondContact O-CG1 3.5Å; A582-I586 PolarHBondContact O-N 3.15Å; F583-I586 WeakPolarHBondContact O-CB 3.48Å; F583-I586 PolarHBondContact O-N 2.99Å; L584-I586 VanDerWaalsContact C-N 3.35Å; I586-F588 PolarHBondContact O-N 2.99Å; I586-S589 WeakPolarHBondContact O-CB 3.23Å; I586-S589 PolarHBondContact O-N 2.75Å; I586-S589 VanDerWaalsContact O-N 3.15Å; I586-Y590 HydrophobicContact CG2-CD2 3.91Å; I586-Y590 HydrophobicContact CG2-CE2 3.95Å; I586-Y590 VanDerWaalsContact O-CD2 3.28Å; I586-Y590 WeakPolarHBondContact O-CD2 3.26Å; I586-Y590 PolarHBondContact O-N 2.82Å; I586-V625 HydrophobicContact CG2-CB 4.34Å; I586-V625 HydrophobicContact CG2-CG1 3.31Å; I586-V625 HydrophobicContact CG2-CG2 4.11Å
587	V	86.1	Confident	84.9	Confident	70 Å²	70	49.3 Å²	49.3	42%	0.424	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-45.4	-178.1	170.3	0	0	0	0	111.6	F583 L584 S589 Y590 A591	F583-V587 HydrophobicContact CD1-CG2 3.85Å; F583-V587 HydrophobicContact CE1-CG2 3.51Å; F583-V587 HydrophobicContact CZ-CG2 4.03Å; F583-V587 WeakPolarHBondContact O-CG2 3.17Å; F583-V587 PolarHBondContact O-N 3.43Å; L584-V587 PolarHBondContact O-N 2.67Å; V587-S589 PolarHBondContact O-N 3.18Å; V587-Y590 PolarHBondContact O-N 2.02Å; V587-A591 WeakPolarHBondContact O-CB 3.16Å; V587-A591 PolarHBondContact O-N 3.17Å
588	F	88.8	Confident	84.3	Confident	133 Å²	133	55.1 Å²	55.1	58%	0.583	28%	0.283	S	S	*	.	H	α-helix	trans	-59.7	-45.4	175.8	176.1	-98	0	0	0	112	L584 I586 Y590 A591 S592	L584-F588 VanDerWaalsContact O-CB 3.27Å; L584-F588 WeakPolarHBondContact O-CB 3.47Å; L584-F588 PolarHBondContact O-N 3.2Å; I586-F588 PolarHBondContact O-N 2.99Å; F588-Y590 PolarHBondContact O-N 3.47Å; F588-A591 PolarHBondContact O-N 3.02Å; F588-S592 WeakPolarHBondContact O-CB 3.31Å; F588-S592 PolarHBondContact O-N 2.91Å
589	S	85.9	Confident	83.7	Confident	5 Å²	5	60.8 Å²	60.8	4%	0.035	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-43.2	179.1	-61.6	0	0	0	0	111.8	I585 I586 V587 M593	I585-S589 VanDerWaalsContact O-CB 3.25Å; I585-S589 WeakPolarHBondContact O-CB 3.28Å; I585-S589 PolarHBondContact O-N 2.79Å; I585-S589 PolarHBondContact O-OG 3.31Å; I586-S589 WeakPolarHBondContact O-CB 3.23Å; I586-S589 PolarHBondContact O-N 2.75Å; I586-S589 VanDerWaalsContact O-N 3.15Å; V587-S589 PolarHBondContact O-N 3.18Å; S589-M593 WeakPolarHBondContact O-CB 3.37Å; S589-M593 PolarHBondContact O-N 3.18Å
590	Y	83.3	Confident	82.7	Confident	12 Å²	12	63.7 Å²	63.7	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-68	-45.6	175	-83.1	-78.8	0	0	0	113.2	T498 I586 V587 F588 S592 M593 F594 F621 F622 V625	T498-Y590 HydrophobicContact CG2-CE2 3.47Å; T498-Y590 VanDerWaalsContact CG2-CE2 3.47Å; I586-Y590 HydrophobicContact CG2-CD2 3.91Å; I586-Y590 HydrophobicContact CG2-CE2 3.95Å; I586-Y590 VanDerWaalsContact O-CD2 3.28Å; I586-Y590 WeakPolarHBondContact O-CD2 3.26Å; I586-Y590 PolarHBondContact O-N 2.82Å; V587-Y590 PolarHBondContact O-N 2.02Å; F588-Y590 PolarHBondContact O-N 3.47Å; Y590-S592 VanDerWaalsContact C-N 3.31Å; Y590-S592 PolarHBondContact O-N 2.63Å; Y590-M593 HydrophobicContact CD1-CE 3.26Å; Y590-M593 HydrophobicContact CE1-CE 3.4Å; Y590-M593 HydrophobicContact CG-CE 4.25Å; Y590-M593 PolarHBondContact O-N 3.26Å; Y590-F594 HydrophobicContact CD1-CD2 4.38Å; Y590-F594 AromaticContact CD1-CE2 3.81Å; Y590-F594 HydrophobicContact CD1-CE2 3.81Å; Y590-F594 VanDerWaalsContact O-CD2 3.26Å; Y590-F594 WeakPolarHBondContact O-CD2 3.33Å; Y590-F594 PolarHBondContact O-N 3Å; Y590-F621 VanDerWaalsContact OH-C 3.28Å; Y590-F621 VanDerWaalsContact OH-CB 3.24Å; Y590-F621 WeakPolarHBondContact OH-CB 3.42Å; Y590-F621 PolarHBondContact OH-O 3.32Å; Y590-F622 HydrophobicContact CD1-CB 4.04Å; Y590-F622 AromaticContact CD1-CD2 3.82Å; Y590-F622 HydrophobicContact CD1-CD2 3.82Å; Y590-F622 HydrophobicContact CD1-CG 4.39Å; Y590-F622 HydrophobicContact CE1-CB 3.8Å; Y590-F622 HydrophobicContact CE1-CD2 4.32Å; Y590-F622 HydrophobicContact CG-CD2 4.15Å; Y590-V625 HydrophobicContact CD2-CG1 4.18Å; Y590-V625 HydrophobicContact CE2-CB 4.01Å; Y590-V625 HydrophobicContact CE2-CG1 3.91Å; Y590-V625 HydrophobicContact CE2-CG2 3.71Å
591	A	82.7	Confident	81.5	Confident	61 Å²	61	63.3 Å²	63.3	50%	0.504	33%	0.334	S	S	.	.	H	α-helix	trans	-57.7	-47.2	179.2	0	0	0	0	0	110.8	V587 F588 Y595	V587-A591 WeakPolarHBondContact O-CB 3.16Å; V587-A591 PolarHBondContact O-N 3.17Å; F588-A591 PolarHBondContact O-N 3.02Å; A591-Y595 VanDerWaalsContact O-CB 3.26Å; A591-Y595 WeakPolarHBondContact O-CB 3.09Å; A591-Y595 PolarHBondContact O-N 3.21Å
592	S	82.4	Confident	79.8	Confident	25 Å²	25	65 Å²	65	18%	0.175	34%	0.344	C	S	.	.	H	α-helix	trans	-67.2	-39.2	176.6	-170	0	0	0	0	112.5	F588 Y590 N596	F588-S592 WeakPolarHBondContact O-CB 3.31Å; F588-S592 PolarHBondContact O-N 2.91Å; Y590-S592 VanDerWaalsContact C-N 3.31Å; Y590-S592 PolarHBondContact O-N 2.63Å; S592-N596 WeakPolarHBondContact O-CB 3.25Å; S592-N596 PolarHBondContact O-N 3.4Å; S592-N596 PolarHBondContact O-ND2 3.16Å
593	M	80.5	Confident	78	Confident	4 Å²	4	72.3 Å²	72.3	2%	0.02	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-48.1	175.6	-177.1	-178.8	60.9	0	0	111.9	I505 S589 Y590 N596 I597 A618	I505-M593 HydrophobicContact CB-CG 4.22Å; I505-M593 HydrophobicContact CD1-CG 4.12Å; I505-M593 HydrophobicContact CD1-SD 3.46Å; I505-M593 WeakPolarHBondContact CD1-SD 3.42Å; I505-M593 HydrophobicContact CG2-CG 3.82Å; S589-M593 WeakPolarHBondContact O-CB 3.37Å; S589-M593 PolarHBondContact O-N 3.18Å; Y590-M593 HydrophobicContact CD1-CE 3.26Å; Y590-M593 HydrophobicContact CE1-CE 3.4Å; Y590-M593 HydrophobicContact CG-CE 4.25Å; Y590-M593 PolarHBondContact O-N 3.26Å; M593-N596 PolarHBondContact O-N 3.03Å; M593-I597 HydrophobicContact CG-CD1 3.85Å; M593-I597 WeakPolarHBondContact O-CD1 3.14Å; M593-I597 WeakPolarHBondContact O-CG1 3.31Å; M593-I597 PolarHBondContact O-N 2.99Å; M593-A618 HydrophobicContact CE-CB 3.78Å; M593-A618 HydrophobicContact SD-CB 3.88Å
594	F	79.4	Confident	76.3	Confident	55 Å²	55	73.3 Å²	73.3	24%	0.241	39%	0.389	C	S	.	.	H	α-helix	trans	-66.1	-40.4	177.8	-79.5	-64.6	0	0	0	112.6	Y590 N596 I597 Q598 K619 F622	Y590-F594 HydrophobicContact CD1-CD2 4.38Å; Y590-F594 AromaticContact CD1-CE2 3.81Å; Y590-F594 HydrophobicContact CD1-CE2 3.81Å; Y590-F594 VanDerWaalsContact O-CD2 3.26Å; Y590-F594 WeakPolarHBondContact O-CD2 3.33Å; Y590-F594 PolarHBondContact O-N 3Å; F594-N596 PolarHBondContact O-N 2.85Å; F594-I597 HydrophobicContact CD1-CD1 4.42Å; F594-I597 PolarHBondContact O-N 2.96Å; F594-Q598 WeakPolarHBondContact O-CB 3.5Å; F594-Q598 PolarHBondContact O-N 3.05Å; F594-K619 HydrophobicContact CE1-CG 4.22Å; F594-F622 HydrophobicContact CE2-CB 4.06Å; F594-F622 HydrophobicContact CE2-CD1 4.22Å; F594-F622 AromaticContact CE2-CD2 3.59Å; F594-F622 HydrophobicContact CE2-CD2 3.59Å; F594-F622 AromaticContact CE2-CE2 3.95Å; F594-F622 HydrophobicContact CE2-CE2 3.95Å; F594-F622 AromaticContact CE2-CG 3.71Å; F594-F622 HydrophobicContact CE2-CG 3.71Å; F594-F622 HydrophobicContact CE2-CZ 4.39Å; F594-F622 HydrophobicContact CZ-CB 3.95Å; F594-F622 HydrophobicContact CZ-CD1 4.12Å; F594-F622 HydrophobicContact CZ-CD2 4.22Å; F594-F622 AromaticContact CZ-CG 3.85Å; F594-F622 HydrophobicContact CZ-CG 3.85Å
595	Y	81.6	Confident	74.7	Confident	138 Å²	138	74.9 Å²	74.9	54%	0.541	40%	0.403	S	S	.	.	H	α-helix	trans	-58	-46.8	174	177	-96.6	0	0	0	111.6	A591 Q598 R599	A591-Y595 VanDerWaalsContact O-CB 3.26Å; A591-Y595 WeakPolarHBondContact O-CB 3.09Å; A591-Y595 PolarHBondContact O-N 3.21Å; Y595-Q598 PolarHBondContact O-N 2.98Å; Y595-R599 WeakPolarHBondContact O-CB 3.32Å; Y595-R599 PolarHBondContact O-N 3.07Å
596	N	75.8	Confident	72.8	Confident	35 Å²	35	81.7 Å²	81.7	19%	0.187	43%	0.43	C	S	.	.	H	α-helix	trans	-67.1	-38.4	176.6	-78.1	-70.1	0	0	0	112.5	V506 S592 M593 F594 Q598 R599 T600	V506-N596 HydrophobicContact CG2-CB 4.14Å; S592-N596 WeakPolarHBondContact O-CB 3.25Å; S592-N596 PolarHBondContact O-N 3.4Å; S592-N596 PolarHBondContact O-ND2 3.16Å; M593-N596 PolarHBondContact O-N 3.03Å; F594-N596 PolarHBondContact O-N 2.85Å; N596-Q598 VanDerWaalsContact C-N 3.34Å; N596-Q598 PolarHBondContact O-N 2.85Å; N596-R599 PolarHBondContact O-N 3.04Å; N596-T600 VanDerWaalsContact O-CB 3.26Å; N596-T600 WeakPolarHBondContact O-CB 3.3Å; N596-T600 PolarHBondContact O-N 2.93Å; N596-T600 PolarHBondContact O-OG1 2.9Å
597	I	73.1	Confident	71.4	Confident	34 Å²	34	88.6 Å²	88.6	17%	0.174	46%	0.457	C	S	.	.	H	α-helix	trans	-59.4	-44.9	173.2	-70.2	161.2	0	0	0	110.9	I505 M593 F594 G601 V615	I505-I597 HydrophobicContact CG2-CD1 4.3Å; I505-I597 HydrophobicContact CG2-CG1 4.02Å; M593-I597 HydrophobicContact CG-CD1 3.85Å; M593-I597 WeakPolarHBondContact O-CD1 3.14Å; M593-I597 WeakPolarHBondContact O-CG1 3.31Å; M593-I597 PolarHBondContact O-N 2.99Å; F594-I597 HydrophobicContact CD1-CD1 4.42Å; F594-I597 PolarHBondContact O-N 2.96Å; I597-G601 PolarHBondContact O-N 2.93Å; I597-V615 HydrophobicContact CD1-CG2 3.93Å; I597-V615 HydrophobicContact CG1-CG2 3.92Å; I597-V615 HydrophobicContact CG2-CG1 4.23Å; I597-V615 HydrophobicContact CG2-CG2 3.78Å
598	Q	74.1	Confident	70.2	Confident	154 Å²	154	87 Å²	87	72%	0.72	45%	0.448	S	S	*	.	H	α-helix	trans	-65.3	-41.3	178.4	-172.1	174.7	2.9	0	0	112	F594 Y595 N596	F594-Q598 WeakPolarHBondContact O-CB 3.5Å; F594-Q598 PolarHBondContact O-N 3.05Å; Y595-Q598 PolarHBondContact O-N 2.98Å; N596-Q598 VanDerWaalsContact C-N 3.34Å; N596-Q598 PolarHBondContact O-N 2.85Å
599	R	76.8	Confident	68.8	Low	153 Å²	153	87 Å²	87	58%	0.577	46%	0.455	S	S	*	.	H	α-helix	trans	-70.6	-36.4	178.2	-176	176.6	177.1	174.3	-1.3	113.6	Y595 N596 T602	Y595-R599 WeakPolarHBondContact O-CB 3.32Å; Y595-R599 PolarHBondContact O-N 3.07Å; N596-R599 PolarHBondContact O-N 3.04Å; R599-T602 PolarHBondContact O-OG1 3.13Å; R599-T602 VanDerWaalsContact O-OG1 3.06Å
600	T	66.1	Low	67.7	Low	65 Å²	65	93.1 Å²	93.1	40%	0.399	48%	0.482	S	S	.	.	H	α-helix	trans	-87.4	-26	-175.3	-43.4	0	0	0	0	111.9	N596 T602 Q603	N596-T600 VanDerWaalsContact O-CB 3.26Å; N596-T600 WeakPolarHBondContact O-CB 3.3Å; N596-T600 PolarHBondContact O-N 2.93Å; N596-T600 PolarHBondContact O-OG1 2.9Å; T600-T602 PolarHBondContact O-N 2.63Å; T600-T602 VanDerWaalsContact O-N 3.16Å; T600-Q603 PolarHBondContact O-N 2.93Å
601	G	62.8	Low	66.7	Low	66 Å²	66	96 Å²	96	68%	0.68	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.2	177.1	0	0	0	0	0	114.8	I597	I597-G601 PolarHBondContact O-N 2.93Å
602	T	54	Low	65.9	Low	119 Å²	119	98.9 Å²	98.9	73%	0.73	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-8.3	-179.3	50.9	0	0	0	0	114.8	R599 T600	R599-T602 PolarHBondContact O-OG1 3.13Å; R599-T602 VanDerWaalsContact O-OG1 3.06Å; T600-T602 PolarHBondContact O-N 2.63Å; T600-T602 VanDerWaalsContact O-N 3.16Å
603	Q	52.7	Low	65	Low	159 Å²	159	102.2 Å²	102.2	74%	0.743	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	-10.7	-168.2	-73	-170.2	-38.4	0	0	117.4	T600	T600-Q603 PolarHBondContact O-N 2.93Å
604	T	51.1	Low	64.3	Low	78 Å²	78	103.2 Å²	103.2	48%	0.479	52%	0.515	S	S	.	.			trans	-142.3	110.2	-176.8	33.5	0	0	0	0	115.7
605	T	54.5	Low	63.6	Low	136 Å²	136	102 Å²	102	83%	0.834	51%	0.512	S	S	*	.	S	Bend	trans	-79.8	-26.8	175.4	40.5	0	0	0	0	114.3
606	K	51.1	Low	63	Low	207 Å²	207	100 Å²	100	90%	0.9	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-22.7	-175	-86.8	-175.8	173.8	178.9	0	116.3
607	Y	57	Low	62.5	Low	152 Å²	152	100.8 Å²	100.8	60%	0.596	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	12.5	-178.8	-94.4	-91.4	0	0	0	114.3	N609	Y607-N609 VanDerWaalsContact C-N 3.35Å; Y607-N609 PolarHBondContact O-N 3.46Å; Y607-N609 VanDerWaalsContact O-N 3.16Å
608	S	59.6	Low	62.1	Low	36 Å²	36	99.3 Å²	99.3	25%	0.252	51%	0.511	S	S	.	.	H	α-helix	trans	-56.9	-38.1	-165.4	-159.1	0	0	0	0	114.8	K612	S608-K612 VanDerWaalsContact O-CB 3.24Å; S608-K612 WeakPolarHBondContact O-CB 3.46Å; S608-K612 WeakPolarHBondContact O-CD 3.37Å; S608-K612 WeakPolarHBondContact O-CG 2.99Å; S608-K612 PolarHBondContact O-N 3.28Å; S608-K612 WeakPolarHBondContact OG-CE 3.04Å; S608-K612 PolarHBondContact OG-NZ 3.37Å
609	N	60.1	Low	61.9	Low	134 Å²	134	98.4 Å²	98.4	72%	0.717	50%	0.504	S	S	*	.	H	α-helix	trans	-75.4	-40	-169.7	-70.7	-8.5	0	0	0	114	Y607 K613	Y607-N609 VanDerWaalsContact C-N 3.35Å; Y607-N609 PolarHBondContact O-N 3.46Å; Y607-N609 VanDerWaalsContact O-N 3.16Å; N609-K613 PolarHBondContact O-N 3.03Å; N609-K613 VanDerWaalsContact O-N 3.12Å
610	H	62.4	Low	61.4	Low	132 Å²	132	94.6 Å²	94.6	61%	0.611	49%	0.49	S	S	*	.	H	α-helix	trans	-66.5	-45.7	176.3	-171.7	-88.9	0	0	0	110.7	K612 K613 E614	H610-K612 PolarHBondContact O-N 2.97Å; H610-K613 WeakPolarHBondContact O-CB 3.3Å; H610-K613 PolarHBondContact O-N 3.24Å; H610-E614 PolarHBondContact O-N 3.23Å; H610-E614 VanDerWaalsContact O-N 3.07Å
611	I	63.4	Low	61.5	Low	72 Å²	72	92.8 Å²	92.8	37%	0.369	48%	0.477	S	S	.	.	H	α-helix	trans	-63.6	-42.3	177.7	-62.1	175.5	0	0	0	110.6	K613 E614 V615	I611-K613 VanDerWaalsContact C-N 3.31Å; I611-K613 PolarHBondContact O-N 2.99Å; I611-E614 PolarHBondContact O-N 2.74Å; I611-V615 HydrophobicContact CG2-CG2 3.96Å; I611-V615 WeakPolarHBondContact O-CB 3.37Å; I611-V615 WeakPolarHBondContact O-CG2 3.49Å; I611-V615 PolarHBondContact O-N 2.99Å
612	K	64.4	Low	62	Low	123 Å²	123	93.5 Å²	93.5	54%	0.535	46%	0.461	S	S	.	.	H	α-helix	trans	-59.5	-37.7	174.4	-81	166.3	174.1	159.6	0	113	S608 H610 T616	S608-K612 VanDerWaalsContact O-CB 3.24Å; S608-K612 WeakPolarHBondContact O-CB 3.46Å; S608-K612 WeakPolarHBondContact O-CD 3.37Å; S608-K612 WeakPolarHBondContact O-CG 2.99Å; S608-K612 PolarHBondContact O-N 3.28Å; S608-K612 WeakPolarHBondContact OG-CE 3.04Å; S608-K612 PolarHBondContact OG-NZ 3.37Å; H610-K612 PolarHBondContact O-N 2.97Å; K612-T616 WeakPolarHBondContact O-CB 3.38Å; K612-T616 PolarHBondContact O-N 3.48Å; K612-T616 PolarHBondContact O-OG1 3.41Å
613	K	64.3	Low	62.7	Low	95 Å²	95	90.6 Å²	90.6	41%	0.413	45%	0.445	S	S	.	.	H	α-helix	trans	-64.2	-51.2	175.6	-169.7	175	179.1	178.6	0	110.5	E427 N609 H610 I611 T616 I617	E427-K613 IonicContact OE1-NZ 3.95Å; E427-K613 PolarHBondContact OE1-NZ 2.94Å; E427-K613 IonicContact OE2-NZ 3.94Å; E427-K613 PolarHBondContact OE2-NZ 2.87Å; N609-K613 PolarHBondContact O-N 3.03Å; N609-K613 VanDerWaalsContact O-N 3.12Å; H610-K613 WeakPolarHBondContact O-CB 3.3Å; H610-K613 PolarHBondContact O-N 3.24Å; I611-K613 VanDerWaalsContact C-N 3.31Å; I611-K613 PolarHBondContact O-N 2.99Å; K613-T616 PolarHBondContact O-N 3.41Å; K613-I617 HydrophobicContact CG-CD1 4.19Å; K613-I617 WeakPolarHBondContact O-CD1 3.06Å; K613-I617 WeakPolarHBondContact O-CG1 3.21Å; K613-I617 PolarHBondContact O-N 3.12Å; K613-I617 VanDerWaalsContact O-N 3.09Å
614	E	65.4	Low	63.6	Low	24 Å²	24	83.1 Å²	83.1	11%	0.112	41%	0.411	C	S	.	.	H	α-helix	trans	-66.2	-37.1	178.8	-71.1	-58.2	125.8	0	0	113.4	K501 I505 H610 I611 T616 I617 A618	K501-E614 IonicContact NZ-OE1 3.04Å; K501-E614 IonicContact NZ-OE2 2.8Å; K501-E614 PolarHBondContact NZ-OE2 3.35Å; I505-E614 HydrophobicContact CD1-CB 4.48Å; I505-E614 HydrophobicContact CG1-CB 4.45Å; H610-E614 PolarHBondContact O-N 3.23Å; H610-E614 VanDerWaalsContact O-N 3.07Å; I611-E614 PolarHBondContact O-N 2.74Å; E614-T616 PolarHBondContact O-N 2.04Å; E614-I617 CarbonylContact O-C 3.59Å; E614-I617 WeakPolarHBondContact O-CB 3.39Å; E614-I617 PolarHBondContact O-N 2.9Å; E614-A618 WeakPolarHBondContact O-CB 3.43Å; E614-A618 PolarHBondContact O-N 2.7Å
615	V	66.3	Low	64.6	Low	29 Å²	29	79.9 Å²	79.9	18%	0.176	39%	0.391	C	S	.	.	H	α-helix	trans	-65.1	-37.6	174.3	170.3	0	0	0	0	111.9	I597 I611 I617 A618 K619	I597-V615 HydrophobicContact CD1-CG2 3.93Å; I597-V615 HydrophobicContact CG1-CG2 3.92Å; I597-V615 HydrophobicContact CG2-CG1 4.23Å; I597-V615 HydrophobicContact CG2-CG2 3.78Å; I611-V615 HydrophobicContact CG2-CG2 3.96Å; I611-V615 WeakPolarHBondContact O-CB 3.37Å; I611-V615 WeakPolarHBondContact O-CG2 3.49Å; I611-V615 PolarHBondContact O-N 2.99Å; V615-I617 VanDerWaalsContact C-N 3.3Å; V615-A618 PolarHBondContact O-N 3.12Å; V615-K619 PolarHBondContact O-N 2.76Å
616	T	67.2	Low	65.8	Low	97 Å²	97	76.6 Å²	76.6	60%	0.595	37%	0.368	S	S	*	.	H	α-helix	trans	-66.4	-36.8	175.3	-56.1	0	0	0	0	111.1	K612 K613 E614	K612-T616 WeakPolarHBondContact O-CB 3.38Å; K612-T616 PolarHBondContact O-N 3.48Å; K612-T616 PolarHBondContact O-OG1 3.41Å; K613-T616 PolarHBondContact O-N 3.41Å; E614-T616 PolarHBondContact O-N 2.04Å
617	I	65.9	Low	67.1	Low	52 Å²	52	68.5 Å²	68.5	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-68.7	-44.5	174.3	-69.2	164.2	0	0	0	110.6	K613 E614 V615 R620 F621	K613-I617 HydrophobicContact CG-CD1 4.19Å; K613-I617 WeakPolarHBondContact O-CD1 3.06Å; K613-I617 WeakPolarHBondContact O-CG1 3.21Å; K613-I617 PolarHBondContact O-N 3.12Å; K613-I617 VanDerWaalsContact O-N 3.09Å; E614-I617 CarbonylContact O-C 3.59Å; E614-I617 WeakPolarHBondContact O-CB 3.39Å; E614-I617 PolarHBondContact O-N 2.9Å; V615-I617 VanDerWaalsContact C-N 3.3Å; I617-R620 WeakPolarHBondContact O-CB 3.21Å; I617-R620 PolarHBondContact O-N 3.43Å; I617-R620 VanDerWaalsContact O-N 3.12Å; I617-F621 HydrophobicContact CG2-CD2 3.64Å; I617-F621 HydrophobicContact CG2-CE2 3.41Å; I617-F621 VanDerWaalsContact CG2-CE2 3.41Å; I617-F621 WeakPolarHBondContact O-CD2 3.16Å; I617-F621 PolarHBondContact O-N 3.44Å
618	A	65.4	Low	68	Low	2 Å²	2	62 Å²	62	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-61.5	-43.4	178.7	0	0	0	0	0	113	I505 M593 E614 V615 R620 F621 F622	I505-A618 HydrophobicContact CD1-CB 4.09Å; M593-A618 HydrophobicContact CE-CB 3.78Å; M593-A618 HydrophobicContact SD-CB 3.88Å; E614-A618 WeakPolarHBondContact O-CB 3.43Å; E614-A618 PolarHBondContact O-N 2.7Å; V615-A618 PolarHBondContact O-N 3.12Å; A618-R620 PolarHBondContact O-N 3.15Å; A618-F621 PolarHBondContact O-N 3.35Å; A618-F622 WeakPolarHBondContact O-CB 3.32Å; A618-F622 PolarHBondContact O-N 2.77Å
619	K	68.5	Low	69	Low	136 Å²	136	61 Å²	61	59%	0.591	30%	0.304	S	S	*	.	H	α-helix	trans	-59.3	-29.7	174	-78.7	-172.4	174.3	-170.6	0	113.2	F594 V615 S623	F594-K619 HydrophobicContact CE1-CG 4.22Å; V615-K619 PolarHBondContact O-N 2.76Å; K619-S623 PolarHBondContact O-N 3.03Å
620	R	68.3	Low	70.1	Confident	72 Å²	72	59.6 Å²	59.6	27%	0.272	30%	0.296	S	S	.	.	H	α-helix	trans	-78.6	-42.4	177.6	-173.4	169.6	175.8	-121.1	7.5	111.8	I617 A618 F622 S623 I624 L671 Y672 T675	I617-R620 WeakPolarHBondContact O-CB 3.21Å; I617-R620 PolarHBondContact O-N 3.43Å; I617-R620 VanDerWaalsContact O-N 3.12Å; A618-R620 PolarHBondContact O-N 3.15Å; R620-F622 VanDerWaalsContact C-N 3.28Å; R620-F622 PolarHBondContact O-N 3.5Å; R620-S623 WeakPolarHBondContact O-CB 3.36Å; R620-S623 PolarHBondContact O-N 3.15Å; R620-S623 VanDerWaalsContact O-N 3.15Å; R620-I624 PolarHBondContact O-N 2.94Å; R620-L671 PolarHBondContact NE-O 2.81Å; R620-L671 VanDerWaalsContact NE-O 3.09Å; R620-L671 PolarHBondContact NH2-O 3.1Å; R620-Y672 PolarHBondContact NH1-O 2.98Å; R620-Y672 VanDerWaalsContact NH1-O 3.09Å; R620-Y672 PolarHBondContact NH2-O 3.08Å; R620-T675 VanDerWaalsContact CZ-OG1 3.31Å; R620-T675 PolarHBondContact NE-OG1 3.46Å; R620-T675 PolarHBondContact NH2-OG1 2.96Å
621	F	67.4	Low	71.1	Confident	27 Å²	27	54.2 Å²	54.2	12%	0.118	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-33.1	172.1	-76.3	-67.8	0	0	0	112.7	K501 Y590 I617 A618 S623 I624 V625 Y672	K501-F621 HydrophobicContact CG-CD2 4.41Å; K501-F621 HydrophobicContact CG-CE2 4.39Å; Y590-F621 VanDerWaalsContact OH-C 3.28Å; Y590-F621 VanDerWaalsContact OH-CB 3.24Å; Y590-F621 WeakPolarHBondContact OH-CB 3.42Å; Y590-F621 PolarHBondContact OH-O 3.32Å; I617-F621 HydrophobicContact CG2-CD2 3.64Å; I617-F621 HydrophobicContact CG2-CE2 3.41Å; I617-F621 VanDerWaalsContact CG2-CE2 3.41Å; I617-F621 WeakPolarHBondContact O-CD2 3.16Å; I617-F621 PolarHBondContact O-N 3.44Å; A618-F621 PolarHBondContact O-N 3.35Å; F621-S623 VanDerWaalsContact C-N 3.33Å; F621-S623 PolarHBondContact O-N 3.23Å; F621-I624 HydrophobicContact CD1-CD1 3.97Å; F621-I624 WeakPolarHBondContact O-CB 3.5Å; F621-I624 PolarHBondContact O-N 3.05Å; F621-V625 WeakPolarHBondContact O-CB 3.42Å; F621-V625 PolarHBondContact O-N 2.88Å; F621-Y672 HydrophobicContact CE1-CE1 4.43Å
622	F	72.3	Confident	72	Confident	82 Å²	82	51.5 Å²	51.5	36%	0.36	26%	0.258	S	S	.	.	H	α-helix	trans	-59.8	-41	170.6	179.2	-115.5	0	0	0	112.5	Y590 F594 A618 R620 I624 V625 I626	Y590-F622 HydrophobicContact CD1-CB 4.04Å; Y590-F622 AromaticContact CD1-CD2 3.82Å; Y590-F622 HydrophobicContact CD1-CD2 3.82Å; Y590-F622 HydrophobicContact CD1-CG 4.39Å; Y590-F622 HydrophobicContact CE1-CB 3.8Å; Y590-F622 HydrophobicContact CE1-CD2 4.32Å; Y590-F622 HydrophobicContact CG-CD2 4.15Å; F594-F622 HydrophobicContact CE2-CB 4.06Å; F594-F622 HydrophobicContact CE2-CD1 4.22Å; F594-F622 AromaticContact CE2-CD2 3.59Å; F594-F622 HydrophobicContact CE2-CD2 3.59Å; F594-F622 AromaticContact CE2-CE2 3.95Å; F594-F622 HydrophobicContact CE2-CE2 3.95Å; F594-F622 AromaticContact CE2-CG 3.71Å; F594-F622 HydrophobicContact CE2-CG 3.71Å; F594-F622 HydrophobicContact CE2-CZ 4.39Å; F594-F622 HydrophobicContact CZ-CB 3.95Å; F594-F622 HydrophobicContact CZ-CD1 4.12Å; F594-F622 HydrophobicContact CZ-CD2 4.22Å; F594-F622 AromaticContact CZ-CG 3.85Å; F594-F622 HydrophobicContact CZ-CG 3.85Å; A618-F622 WeakPolarHBondContact O-CB 3.32Å; A618-F622 PolarHBondContact O-N 2.77Å; R620-F622 VanDerWaalsContact C-N 3.28Å; R620-F622 PolarHBondContact O-N 3.5Å; F622-I624 PolarHBondContact O-N 3.19Å; F622-V625 PolarHBondContact O-N 2.82Å; F622-I626 HydrophobicContact CD1-CD1 3.86Å; F622-I626 HydrophobicContact CD2-CD1 4.28Å; F622-I626 HydrophobicContact CE1-CD1 3.45Å; F622-I626 VanDerWaalsContact CE1-CD1 3.45Å; F622-I626 HydrophobicContact CE2-CD1 3.92Å; F622-I626 HydrophobicContact CE2-CG1 4.37Å; F622-I626 HydrophobicContact CG-CD1 4.28Å; F622-I626 HydrophobicContact CZ-CD1 3.51Å; F622-I626 HydrophobicContact CZ-CG1 4.4Å; F622-I626 WeakPolarHBondContact O-CG1 3.28Å; F622-I626 PolarHBondContact O-N 3.16Å
623	S	69.7	Low	73	Confident	57 Å²	57	49.2 Å²	49.2	40%	0.399	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-38.3	174.9	-170.9	0	0	0	0	112.9	K619 R620 F621 T627	K619-S623 PolarHBondContact O-N 3.03Å; R620-S623 WeakPolarHBondContact O-CB 3.36Å; R620-S623 PolarHBondContact O-N 3.15Å; R620-S623 VanDerWaalsContact O-N 3.15Å; F621-S623 VanDerWaalsContact C-N 3.33Å; F621-S623 PolarHBondContact O-N 3.23Å; S623-T627 PolarHBondContact O-N 2.9Å; S623-T627 VanDerWaalsContact O-N 3.13Å; S623-T627 PolarHBondContact O-OG1 3.05Å
624	I	71.3	Confident	74	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-46.2	176	-73.6	150.3	0	0	0	110.8	L494 R620 F621 F622 I626 T627 D628 L671 Y672	L494-I624 HydrophobicContact CD2-CG2 4.03Å; R620-I624 PolarHBondContact O-N 2.94Å; F621-I624 HydrophobicContact CD1-CD1 3.97Å; F621-I624 WeakPolarHBondContact O-CB 3.5Å; F621-I624 PolarHBondContact O-N 3.05Å; F622-I624 PolarHBondContact O-N 3.19Å; I624-I626 VanDerWaalsContact C-N 3.35Å; I624-I626 PolarHBondContact O-N 2.8Å; I624-T627 WeakPolarHBondContact CA-OG1 3.32Å; I624-T627 PolarHBondContact O-N 3.38Å; I624-T627 PolarHBondContact O-OG1 2.95Å; I624-D628 PolarHBondContact O-N 3.12Å; I624-L671 HydrophobicContact CD1-CB 4.19Å; I624-L671 HydrophobicContact CG1-CB 3.57Å; I624-L671 HydrophobicContact CG1-CD1 4.09Å; I624-L671 HydrophobicContact CG1-CG 4.36Å; I624-Y672 HydrophobicContact CD1-CD1 3.65Å; I624-Y672 HydrophobicContact CD1-CE1 3.51Å; I624-Y672 HydrophobicContact CG1-CD1 4.48Å; I624-Y672 HydrophobicContact CG1-CE1 4.07Å; I624-Y672 HydrophobicContact CG2-CE1 3.81Å; I624-Y672 WeakPolarHBondContact CG2-OH 3.48Å
625	V	73	Confident	74.8	Confident	11 Å²	11	45.3 Å²	45.3	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-66.3	-37.1	-179.8	157.1	0	0	0	0	111.7	T498 I586 Y590 F621 F622 D628 S629	T498-V625 HydrophobicContact CG2-CG2 3.88Å; I586-V625 HydrophobicContact CG2-CB 4.34Å; I586-V625 HydrophobicContact CG2-CG1 3.31Å; I586-V625 HydrophobicContact CG2-CG2 4.11Å; Y590-V625 HydrophobicContact CD2-CG1 4.18Å; Y590-V625 HydrophobicContact CE2-CB 4.01Å; Y590-V625 HydrophobicContact CE2-CG1 3.91Å; Y590-V625 HydrophobicContact CE2-CG2 3.71Å; F621-V625 WeakPolarHBondContact O-CB 3.42Å; F621-V625 PolarHBondContact O-N 2.88Å; F622-V625 PolarHBondContact O-N 2.82Å; V625-D628 PolarHBondContact O-N 3.05Å; V625-S629 WeakPolarHBondContact O-CB 3.45Å; V625-S629 PolarHBondContact O-N 2.84Å; V625-S629 PolarHBondContact O-OG 2.98Å
626	I	78.3	Confident	75.7	Confident	67 Å²	67	45.3 Å²	45.3	34%	0.344	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-43.5	172.1	-73.5	168.9	0	0	0	111.4	F622 I624 D628 S629 L630	F622-I626 HydrophobicContact CD1-CD1 3.86Å; F622-I626 HydrophobicContact CD2-CD1 4.28Å; F622-I626 HydrophobicContact CE1-CD1 3.45Å; F622-I626 VanDerWaalsContact CE1-CD1 3.45Å; F622-I626 HydrophobicContact CE2-CD1 3.92Å; F622-I626 HydrophobicContact CE2-CG1 4.37Å; F622-I626 HydrophobicContact CG-CD1 4.28Å; F622-I626 HydrophobicContact CZ-CD1 3.51Å; F622-I626 HydrophobicContact CZ-CG1 4.4Å; F622-I626 WeakPolarHBondContact O-CG1 3.28Å; F622-I626 PolarHBondContact O-N 3.16Å; I624-I626 VanDerWaalsContact C-N 3.35Å; I624-I626 PolarHBondContact O-N 2.8Å; I626-D628 VanDerWaalsContact C-N 3.34Å; I626-D628 PolarHBondContact O-N 3.04Å; I626-S629 WeakPolarHBondContact O-CB 3.08Å; I626-S629 PolarHBondContact O-N 3.06Å; I626-L630 HydrophobicContact CG2-CD1 3.81Å; I626-L630 HydrophobicContact CG2-CG 4.29Å; I626-L630 VanDerWaalsContact O-CG 3.27Å; I626-L630 WeakPolarHBondContact O-CG 3.48Å; I626-L630 PolarHBondContact O-N 2.98Å
627	T	79.5	Confident	76.6	Confident	36 Å²	36	45 Å²	45	22%	0.221	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-41.7	178.6	42.4	0	0	0	0	111.9	S623 I624 L630 N664 L671	S623-T627 PolarHBondContact O-N 2.9Å; S623-T627 VanDerWaalsContact O-N 3.13Å; S623-T627 PolarHBondContact O-OG1 3.05Å; I624-T627 WeakPolarHBondContact CA-OG1 3.32Å; I624-T627 PolarHBondContact O-N 3.38Å; I624-T627 PolarHBondContact O-OG1 2.95Å; T627-L630 PolarHBondContact O-N 3.02Å; T627-N664 PolarHBondContact O-OD1 3.06Å; T627-L671 HydrophobicContact CG2-CD1 4.32Å; T627-L671 WeakPolarHBondContact OG1-CD1 3.44Å
628	D	75.6	Confident	77.4	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.08	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-46.6	175.9	-172	70.3	0	0	0	111.5	L494 I624 V625 I626 L630 C631 W632 N664	L494-D628 HydrophobicContact CD1-CB 4.02Å; I624-D628 PolarHBondContact O-N 3.12Å; V625-D628 PolarHBondContact O-N 3.05Å; I626-D628 VanDerWaalsContact C-N 3.34Å; I626-D628 PolarHBondContact O-N 3.04Å; D628-L630 VanDerWaalsContact C-N 3.31Å; D628-L630 PolarHBondContact O-N 3.37Å; D628-C631 PolarHBondContact O-N 3.03Å; D628-C631 VanDerWaalsContact O-N 3.16Å; D628-W632 VanDerWaalsContact O-CD1 3.3Å; D628-W632 PolarHBondContact O-N 2.72Å; D628-N664 WeakPolarHBondContact CA-ND2 3.41Å; D628-N664 PolarHBondContact OD1-ND2 2.96Å
629	S	80.5	Confident	78.2	Confident	16 Å²	16	43.8 Å²	43.8	11%	0.112	22%	0.222	C	C	.	.	H	α-helix	trans	-50.3	-46.4	175.1	-64.4	0	0	0	0	113.3	F583 V625 I626 C631 W632 I633	F583-S629 VanDerWaalsContact CE2-CB 3.5Å; F583-S629 VanDerWaalsContact CE2-OG 3.24Å; F583-S629 WeakPolarHBondContact CE2-OG 3.11Å; V625-S629 WeakPolarHBondContact O-CB 3.45Å; V625-S629 PolarHBondContact O-N 2.84Å; V625-S629 PolarHBondContact O-OG 2.98Å; I626-S629 WeakPolarHBondContact O-CB 3.08Å; I626-S629 PolarHBondContact O-N 3.06Å; S629-C631 VanDerWaalsContact C-N 3.3Å; S629-C631 PolarHBondContact O-N 3.14Å; S629-W632 PolarHBondContact O-N 2.82Å; S629-I633 WeakPolarHBondContact O-CG1 3.35Å; S629-I633 PolarHBondContact O-N 3.37Å
630	L	83	Confident	78.9	Confident	104 Å²	104	41.4 Å²	41.4	55%	0.545	22%	0.215	S	C	.	.	H	α-helix	trans	-66.7	-31.5	-175.3	-74.6	169.1	0	0	0	112.5	I626 T627 D628 I633 P634	I626-L630 HydrophobicContact CG2-CD1 3.81Å; I626-L630 HydrophobicContact CG2-CG 4.29Å; I626-L630 VanDerWaalsContact O-CG 3.27Å; I626-L630 WeakPolarHBondContact O-CG 3.48Å; I626-L630 PolarHBondContact O-N 2.98Å; T627-L630 PolarHBondContact O-N 3.02Å; D628-L630 VanDerWaalsContact C-N 3.31Å; D628-L630 PolarHBondContact O-N 3.37Å; L630-I633 HydrophobicContact CD2-CD1 4.3Å; L630-P634 WeakPolarHBondContact O-CD 3.33Å
631	C	82.5	Confident	79.6	Confident	19 Å²	19	40.9 Å²	40.9	13%	0.128	22%	0.217	C	C	.	.	H	α-helix	trans	-81.8	-22.1	178.3	-67.6	0	0	0	0	113.1	D628 S629 I660 N664	D628-C631 PolarHBondContact O-N 3.03Å; D628-C631 VanDerWaalsContact O-N 3.16Å; S629-C631 VanDerWaalsContact C-N 3.3Å; S629-C631 PolarHBondContact O-N 3.14Å; C631-I660 HydrophobicContact CB-CG2 3.71Å; C631-I660 WeakPolarHBondContact O-CG2 3.3Å; C631-N664 WeakPolarHBondContact CB-ND2 3.3Å; C631-N664 VanDerWaalsContact CB-OD1 3.27Å; C631-N664 WeakPolarHBondContact CB-OD1 3.45Å; C631-N664 PolarHBondContact SG-OD1 2.86Å
632	W	83.6	Confident	80	Confident	15 Å²	15	40.6 Å²	40.6	6%	0.057	22%	0.219	C	C	.	.	H	α-helix	trans	-79	-25	171.6	-78.3	104.1	0	0	0	114	V491 F575 N579 D628 S629 I635 F636	V491-W632 HydrophobicContact CG2-CZ2 3.47Å; V491-W632 VanDerWaalsContact CG2-CZ2 3.47Å; F575-W632 HydrophobicContact CD1-CZ3 4.4Å; N579-W632 HydrophobicContact CB-CE3 4.38Å; N579-W632 HydrophobicContact CB-CZ3 4.21Å; N579-W632 WeakPolarHBondContact ND2-CH2 3.3Å; D628-W632 VanDerWaalsContact O-CD1 3.3Å; D628-W632 PolarHBondContact O-N 2.72Å; S629-W632 PolarHBondContact O-N 2.82Å; W632-I635 HydrophobicContact CD2-CD1 4.14Å; W632-I635 HydrophobicContact CE3-CB 4.06Å; W632-I635 HydrophobicContact CE3-CD1 3.68Å; W632-I635 HydrophobicContact CE3-CG1 4.48Å; W632-I635 HydrophobicContact CE3-CG2 3.85Å; W632-I635 HydrophobicContact CZ3-CB 4.5Å; W632-I635 HydrophobicContact CZ3-CD1 3.91Å; W632-I635 HydrophobicContact CZ3-CG2 3.88Å; W632-I635 WeakPolarHBondContact O-CB 3.42Å; W632-I635 PolarHBondContact O-N 3.01Å; W632-I635 VanDerWaalsContact O-N 3.1Å; W632-F636 HydrophobicContact CB-CD2 4.29Å; W632-F636 HydrophobicContact CB-CE2 3.77Å; W632-F636 HydrophobicContact CB-CZ 4.23Å; W632-F636 HydrophobicContact CE3-CZ 4.45Å; W632-F636 VanDerWaalsContact O-CD2 3.25Å; W632-F636 WeakPolarHBondContact O-CD2 3.42Å; W632-F636 WeakPolarHBondContact O-CG 3.23Å; W632-F636 PolarHBondContact O-N 2.85Å
633	I	84.8	Confident	80.3	Confident	76 Å²	76	40.4 Å²	40.4	39%	0.39	22%	0.221	S	C	.	.	H	α-helix	trans	-55	-49.8	177.8	-72.9	167.6	0	0	0	112.7	S629 L630 I635 F636 I637	S629-I633 WeakPolarHBondContact O-CG1 3.35Å; S629-I633 PolarHBondContact O-N 3.37Å; L630-I633 HydrophobicContact CD2-CD1 4.3Å; I633-I635 VanDerWaalsContact C-N 3.3Å; I633-I635 PolarHBondContact O-N 2.84Å; I633-F636 PolarHBondContact O-N 3.42Å; I633-I637 HydrophobicContact CG2-CD1 3.69Å; I633-I637 HydrophobicContact CG2-CG1 4.43Å; I633-I637 WeakPolarHBondContact O-CG1 3.3Å; I633-I637 PolarHBondContact O-N 3.13Å
634	P	84.8	Confident	80.9	Confident	34 Å²	34	43.4 Å²	43.4	22%	0.221	23%	0.232	C	C	.	.	H	α-helix	trans	-56.9	-39.6	174.2	-28	35.9	0	0	0	113.7	L630 I637 L638 V656 I660	L630-P634 WeakPolarHBondContact O-CD 3.33Å; P634-I637 PolarHBondContact O-N 3.16Å; P634-L638 WeakPolarHBondContact O-CG 3.27Å; P634-L638 PolarHBondContact O-N 2.96Å; P634-V656 HydrophobicContact CB-CG2 4.35Å; P634-I660 HydrophobicContact CB-CD1 3.83Å; P634-I660 HydrophobicContact CG-CD1 3.77Å; P634-I660 HydrophobicContact CG-CG2 4.33Å
635	I	84	Confident	81	Confident	3 Å²	3	52 Å²	52	2%	0.015	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-46.2	179.3	-66.6	165.8	0	0	0	110.5	L557 W632 I633 L638 K639 V656 L661	L557-I635 HydrophobicContact CD1-CG1 4.25Å; L557-I635 HydrophobicContact CD1-CG2 3.86Å; W632-I635 HydrophobicContact CD2-CD1 4.14Å; W632-I635 HydrophobicContact CE3-CB 4.06Å; W632-I635 HydrophobicContact CE3-CD1 3.68Å; W632-I635 HydrophobicContact CE3-CG1 4.48Å; W632-I635 HydrophobicContact CE3-CG2 3.85Å; W632-I635 HydrophobicContact CZ3-CB 4.5Å; W632-I635 HydrophobicContact CZ3-CD1 3.91Å; W632-I635 HydrophobicContact CZ3-CG2 3.88Å; W632-I635 WeakPolarHBondContact O-CB 3.42Å; W632-I635 PolarHBondContact O-N 3.01Å; W632-I635 VanDerWaalsContact O-N 3.1Å; I633-I635 VanDerWaalsContact C-N 3.3Å; I633-I635 PolarHBondContact O-N 2.84Å; I635-L638 PolarHBondContact O-N 3.42Å; I635-K639 WeakPolarHBondContact O-CB 3.15Å; I635-K639 PolarHBondContact O-N 2.94Å; I635-V656 HydrophobicContact CD1-CG1 4.39Å; I635-V656 HydrophobicContact CG1-CG1 3.56Å; I635-L661 HydrophobicContact CD1-CB 4.45Å; I635-L661 HydrophobicContact CD1-CD1 4Å
636	F	85.2	Confident	81.1	Confident	28 Å²	28	55 Å²	55	12%	0.123	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-42.5	175.6	-62.8	-46.2	0	0	0	112.2	F575 L576 N579 W632 I633 K639 I640	F575-F636 WeakPolarHBondContact O-CE1 3.27Å; L576-F636 HydrophobicContact CD1-CD1 3.79Å; L576-F636 HydrophobicContact CD1-CE1 4.38Å; N579-F636 HydrophobicContact CB-CE1 4.08Å; N579-F636 HydrophobicContact CB-CZ 4.11Å; W632-F636 HydrophobicContact CB-CD2 4.29Å; W632-F636 HydrophobicContact CB-CE2 3.77Å; W632-F636 HydrophobicContact CB-CZ 4.23Å; W632-F636 HydrophobicContact CE3-CZ 4.45Å; W632-F636 VanDerWaalsContact O-CD2 3.25Å; W632-F636 WeakPolarHBondContact O-CD2 3.42Å; W632-F636 WeakPolarHBondContact O-CG 3.23Å; W632-F636 PolarHBondContact O-N 2.85Å; I633-F636 PolarHBondContact O-N 3.42Å; F636-K639 PolarHBondContact O-N 3.41Å; F636-I640 WeakPolarHBondContact O-CB 3.46Å; F636-I640 WeakPolarHBondContact O-CD1 3.46Å; F636-I640 VanDerWaalsContact O-CG1 3.25Å; F636-I640 WeakPolarHBondContact O-CG1 3.46Å; F636-I640 PolarHBondContact O-N 3.03Å
637	I	85.9	Confident	80.5	Confident	90 Å²	90	60.9 Å²	60.9	46%	0.462	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-50	177.2	-69.6	167.6	0	0	0	110.7	I633 P634 K639 I640 L641	I633-I637 HydrophobicContact CG2-CD1 3.69Å; I633-I637 HydrophobicContact CG2-CG1 4.43Å; I633-I637 WeakPolarHBondContact O-CG1 3.3Å; I633-I637 PolarHBondContact O-N 3.13Å; P634-I637 PolarHBondContact O-N 3.16Å; I637-K639 VanDerWaalsContact C-N 3.3Å; I637-K639 PolarHBondContact O-N 2.99Å; I637-I640 PolarHBondContact O-N 3.4Å; I637-L641 HydrophobicContact CG2-CD1 3.91Å; I637-L641 HydrophobicContact CG2-CG 4.41Å; I637-L641 WeakPolarHBondContact O-CG 3.37Å; I637-L641 PolarHBondContact O-N 3.46Å
638	L	82.3	Confident	79.9	Confident	21 Å²	21	59.6 Å²	59.6	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-59.9	-40.4	177.7	-70.4	-178.2	0	0	0	111.9	L557 P634 I635 L641 S642 I648 I652 V656	L557-L638 HydrophobicContact CD2-CD1 4.15Å; P634-L638 WeakPolarHBondContact O-CG 3.27Å; P634-L638 PolarHBondContact O-N 2.96Å; I635-L638 PolarHBondContact O-N 3.42Å; L638-L641 PolarHBondContact O-N 3.33Å; L638-S642 WeakPolarHBondContact O-CB 3.31Å; L638-S642 PolarHBondContact O-N 2.84Å; L638-I648 HydrophobicContact CD2-CD1 4.1Å; L638-I648 HydrophobicContact CD2-CG2 3.91Å; L638-I648 WeakPolarHBondContact O-CD1 3.13Å; L638-I652 HydrophobicContact CD1-CG2 4.39Å; L638-I652 HydrophobicContact CD2-CG2 3.9Å; L638-V656 HydrophobicContact CD1-CB 4.02Å; L638-V656 HydrophobicContact CD1-CG1 4.37Å; L638-V656 HydrophobicContact CD1-CG2 3.48Å; L638-V656 VanDerWaalsContact CD1-CG2 3.48Å
639	K	82	Confident	79.6	Confident	9 Å²	9	62.5 Å²	62.5	4%	0.039	33%	0.328	C	S	.	.	H	α-helix	trans	-69.3	-34.9	179	-158	60.5	170.2	179.8	0	112.7	L557 S571 I635 F636 I637 L643	L557-K639 PolarHBondContact O-NZ 2.83Å; S571-K639 WeakPolarHBondContact OG-CE 3.49Å; S571-K639 PolarHBondContact OG-NZ 3.16Å; I635-K639 WeakPolarHBondContact O-CB 3.15Å; I635-K639 PolarHBondContact O-N 2.94Å; F636-K639 PolarHBondContact O-N 3.41Å; I637-K639 VanDerWaalsContact C-N 3.3Å; I637-K639 PolarHBondContact O-N 2.99Å; K639-L643 WeakPolarHBondContact O-CG 3.37Å; K639-L643 PolarHBondContact O-N 2.78Å
640	I	83.6	Confident	78.9	Confident	85 Å²	85	62.2 Å²	62.2	44%	0.436	33%	0.327	S	S	.	.	H	α-helix	trans	-68.2	-42.9	173.4	-68.9	164.1	0	0	0	111	F636 I637 S642 L643 L644	F636-I640 WeakPolarHBondContact O-CB 3.46Å; F636-I640 WeakPolarHBondContact O-CD1 3.46Å; F636-I640 VanDerWaalsContact O-CG1 3.25Å; F636-I640 WeakPolarHBondContact O-CG1 3.46Å; F636-I640 PolarHBondContact O-N 3.03Å; I637-I640 PolarHBondContact O-N 3.4Å; I640-S642 VanDerWaalsContact C-N 3.33Å; I640-S642 PolarHBondContact O-N 3.19Å; I640-L643 WeakPolarHBondContact O-CB 3.45Å; I640-L643 PolarHBondContact O-N 2.67Å; I640-L644 HydrophobicContact CG2-CD1 4.3Å; I640-L644 WeakPolarHBondContact O-CG 3.21Å; I640-L644 PolarHBondContact O-N 3.09Å; I640-L644 VanDerWaalsContact O-N 3.07Å
641	L	82.5	Confident	78.4	Confident	61 Å²	61	60.2 Å²	60.2	32%	0.319	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-39.9	175.7	-70.7	172.2	0	0	0	112	I637 L638 L643 L644 Q645 V646 I648	I637-L641 HydrophobicContact CG2-CD1 3.91Å; I637-L641 HydrophobicContact CG2-CG 4.41Å; I637-L641 WeakPolarHBondContact O-CG 3.37Å; I637-L641 PolarHBondContact O-N 3.46Å; L638-L641 PolarHBondContact O-N 3.33Å; L641-L643 PolarHBondContact O-N 3.24Å; L641-L644 PolarHBondContact O-N 3.12Å; L641-L644 VanDerWaalsContact O-N 3.14Å; L641-Q645 PolarHBondContact O-N 3.37Å; L641-V646 HydrophobicContact CD2-CG2 4.5Å; L641-V646 PolarHBondContact O-N 3.1Å; L641-I648 HydrophobicContact CB-CD1 3.75Å; L641-I648 HydrophobicContact CB-CG1 4.32Å
642	S	76.3	Confident	78.3	Confident	22 Å²	22	63 Å²	63	15%	0.154	33%	0.332	C	S	.	.	H	α-helix	trans	-60.7	-40.5	172.4	170.2	0	0	0	0	112.2	L638 I640 L644 Q645	L638-S642 WeakPolarHBondContact O-CB 3.31Å; L638-S642 PolarHBondContact O-N 2.84Å; I640-S642 VanDerWaalsContact C-N 3.33Å; I640-S642 PolarHBondContact O-N 3.19Å; S642-L644 VanDerWaalsContact C-N 3.28Å; S642-L644 PolarHBondContact O-N 3.17Å; S642-Q645 PolarHBondContact O-N 3.45Å; S642-Q645 VanDerWaalsContact O-N 3.15Å
643	L	78.1	Confident	77.8	Confident	77 Å²	77	62.4 Å²	62.4	40%	0.403	33%	0.33	S	S	.	.	H	α-helix	trans	-67.4	-25.2	174.2	-72.3	169.3	0	0	0	113.6	I572 L576 K639 I640 L641 Q645	I572-L643 HydrophobicContact CD1-CD2 3.71Å; I572-L643 HydrophobicContact CG1-CD2 4.16Å; L576-L643 HydrophobicContact CD2-CD1 4.07Å; K639-L643 WeakPolarHBondContact O-CG 3.37Å; K639-L643 PolarHBondContact O-N 2.78Å; I640-L643 WeakPolarHBondContact O-CB 3.45Å; I640-L643 PolarHBondContact O-N 2.67Å; L641-L643 PolarHBondContact O-N 3.24Å; L643-Q645 VanDerWaalsContact C-N 3.25Å; L643-Q645 PolarHBondContact O-N 3.11Å
644	L	82.1	Confident	77.2	Confident	120 Å²	120	58.9 Å²	58.9	63%	0.628	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	5.9	174.3	-66.6	172.3	0	0	0	113.3	I640 L641 S642 V646	I640-L644 HydrophobicContact CG2-CD1 4.3Å; I640-L644 WeakPolarHBondContact O-CG 3.21Å; I640-L644 PolarHBondContact O-N 3.09Å; I640-L644 VanDerWaalsContact O-N 3.07Å; L641-L644 PolarHBondContact O-N 3.12Å; L641-L644 VanDerWaalsContact O-N 3.14Å; S642-L644 VanDerWaalsContact C-N 3.28Å; S642-L644 PolarHBondContact O-N 3.17Å; L644-V646 HydrophobicContact CB-CG2 4.08Å; L644-V646 PolarHBondContact O-N 2.89Å
645	Q	72.7	Confident	77.1	Confident	184 Å²	184	61.7 Å²	61.7	86%	0.86	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	31.4	-176.8	-60.3	-172.3	-30.9	0	0	113.8	L641 S642 L643	L641-Q645 PolarHBondContact O-N 3.37Å; S642-Q645 PolarHBondContact O-N 3.45Å; S642-Q645 VanDerWaalsContact O-N 3.15Å; L643-Q645 VanDerWaalsContact C-N 3.25Å; L643-Q645 PolarHBondContact O-N 3.11Å
646	V	75.4	Confident	77.2	Confident	74 Å²	74	61.9 Å²	61.9	45%	0.448	32%	0.32	S	S	.	.			trans	-80.5	130.4	171.5	-178.8	0	0	0	0	108.6	L641 L644 I648	L641-V646 HydrophobicContact CD2-CG2 4.5Å; L641-V646 PolarHBondContact O-N 3.1Å; L644-V646 HydrophobicContact CB-CG2 4.08Å; L644-V646 PolarHBondContact O-N 2.89Å; V646-I648 PolarHBondContact O-N 2.89Å
647	E	66	Low	77.2	Confident	189 Å²	189	60.8 Å²	60.8	88%	0.883	32%	0.316	S	S	*	.			trans	-64.9	118.2	172.7	-66.9	179.6	172.1	0	0	110
648	I	67.7	Low	77.2	Confident	10 Å²	10	56.6 Å²	56.6	5%	0.051	29%	0.294	C	S	.	.			trans	-108.5	120.8	179.5	-53.9	177.4	0	0	0	107.7	H558 L638 L641 V646 G650 I652	H558-I648 PolarHBondContact NE2-O 2.73Å; L638-I648 HydrophobicContact CD2-CD1 4.1Å; L638-I648 HydrophobicContact CD2-CG2 3.91Å; L638-I648 WeakPolarHBondContact O-CD1 3.13Å; L641-I648 HydrophobicContact CB-CD1 3.75Å; L641-I648 HydrophobicContact CB-CG1 4.32Å; V646-I648 PolarHBondContact O-N 2.89Å; I648-G650 PolarHBondContact O-N 3.02Å; I648-I652 HydrophobicContact CG2-CB 4.31Å
649	P	68.9	Low	77.3	Confident	76 Å²	76	59.1 Å²	59.1	49%	0.494	30%	0.304	S	S	.	.			trans	-54.6	127.5	174.9	-26.9	34.6	0	0	0	112	T651 I652	P649-T651 WeakPolarHBondContact CB-OG1 3.16Å; P649-T651 PolarHBondContact O-N 3.39Å; P649-I652 HydrophobicContact CB-CG1 4.4Å; P649-I652 HydrophobicContact CG-CD1 4.36Å; P649-I652 PolarHBondContact O-N 2.82Å
650	G	66.7	Low	77.5	Confident	10 Å²	10	60.5 Å²	60.5	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-55.9	-25.2	-179.7	0	0	0	0	0	114	D385 I648 I652 S653 S654	D385-G650 WeakPolarHBondContact O-CA 3.36Å; I648-G650 PolarHBondContact O-N 3.02Å; G650-I652 VanDerWaalsContact C-N 3.32Å; G650-I652 PolarHBondContact O-N 2.76Å; G650-S653 PolarHBondContact O-N 3.1Å; G650-S653 PolarHBondContact O-OG 2.7Å; G650-S654 PolarHBondContact O-N 2.75Å; G650-S654 VanDerWaalsContact O-N 3.07Å; G650-S654 PolarHBondContact O-OG 3.19Å
651	T	71.4	Confident	77.6	Confident	62 Å²	62	56.9 Å²	56.9	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-52.3	-44.1	168.5	54.3	0	0	0	0	112.9	G386 P649 S654 W655	G386-T651 VanDerWaalsContact O-CA 3.25Å; G386-T651 WeakPolarHBondContact O-CA 3.44Å; G386-T651 WeakPolarHBondContact O-CG2 3.42Å; P649-T651 WeakPolarHBondContact CB-OG1 3.16Å; P649-T651 PolarHBondContact O-N 3.39Å; T651-S654 PolarHBondContact O-N 3.06Å; T651-S654 PolarHBondContact O-OG 3.4Å; T651-W655 PolarHBondContact O-N 3.13Å; T651-W655 VanDerWaalsContact O-N 3.1Å
652	I	79.6	Confident	77.9	Confident	76 Å²	76	54 Å²	54	39%	0.39	28%	0.278	S	S	.	.	H	α-helix	trans	-68.8	-41.6	-178.6	-56.4	179.9	0	0	0	109.3	L638 I648 P649 G650 S654 W655 V656	L638-I652 HydrophobicContact CD1-CG2 4.39Å; L638-I652 HydrophobicContact CD2-CG2 3.9Å; I648-I652 HydrophobicContact CG2-CB 4.31Å; P649-I652 HydrophobicContact CB-CG1 4.4Å; P649-I652 HydrophobicContact CG-CD1 4.36Å; P649-I652 PolarHBondContact O-N 2.82Å; G650-I652 VanDerWaalsContact C-N 3.32Å; G650-I652 PolarHBondContact O-N 2.76Å; I652-S654 VanDerWaalsContact C-N 3.33Å; I652-S654 PolarHBondContact O-N 3.25Å; I652-W655 PolarHBondContact O-N 3.16Å; I652-V656 WeakPolarHBondContact O-CG2 3.23Å; I652-V656 PolarHBondContact O-N 2.84Å
653	S	74	Confident	78.4	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.028	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-41.3	178.6	82.9	0	0	0	0	112.1	G650 V656 V657	G650-S653 PolarHBondContact O-N 3.1Å; G650-S653 PolarHBondContact O-OG 2.7Å; S653-V656 PolarHBondContact O-N 3.3Å; S653-V657 WeakPolarHBondContact O-CG2 3.35Å; S653-V657 PolarHBondContact O-N 3.34Å
654	S	72.8	Confident	78.7	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-71.5	-37.2	178.7	49	0	0	0	0	113.1	G650 T651 I652 V656 V657 I658	G650-S654 PolarHBondContact O-N 2.75Å; G650-S654 VanDerWaalsContact O-N 3.07Å; G650-S654 PolarHBondContact O-OG 3.19Å; T651-S654 PolarHBondContact O-N 3.06Å; T651-S654 PolarHBondContact O-OG 3.4Å; I652-S654 VanDerWaalsContact C-N 3.33Å; I652-S654 PolarHBondContact O-N 3.25Å; S654-V656 VanDerWaalsContact C-N 3.29Å; S654-V656 PolarHBondContact O-N 3.23Å; S654-V657 PolarHBondContact O-N 3Å; S654-I658 VanDerWaalsContact O-CB 3.27Å; S654-I658 WeakPolarHBondContact O-CB 3.38Å; S654-I658 WeakPolarHBondContact O-CG1 3.45Å; S654-I658 PolarHBondContact O-N 3.01Å
655	W	83.1	Confident	79	Confident	93 Å²	93	46.2 Å²	46.2	35%	0.352	24%	0.236	S	C	.	.	H	α-helix	trans	-58.9	-40.3	168.6	-82.3	104.7	0	0	0	111.4	V398 L399 T651 I652 F659 I660	V398-W655 HydrophobicContact CB-CH2 4.42Å; V398-W655 HydrophobicContact CG1-CH2 3.94Å; L399-W655 HydrophobicContact CD2-CD2 3.81Å; L399-W655 HydrophobicContact CD2-CE3 3.79Å; L399-W655 HydrophobicContact CD2-CH2 3.95Å; L399-W655 HydrophobicContact CD2-CZ2 3.97Å; L399-W655 HydrophobicContact CD2-CZ3 3.86Å; L399-W655 HydrophobicContact CG-CZ2 4.26Å; T651-W655 PolarHBondContact O-N 3.13Å; T651-W655 VanDerWaalsContact O-N 3.1Å; I652-W655 PolarHBondContact O-N 3.16Å; W655-F659 HydrophobicContact CE3-CB 3.88Å; W655-F659 HydrophobicContact CE3-CD2 4.27Å; W655-F659 HydrophobicContact CE3-CG 4.15Å; W655-F659 HydrophobicContact CZ3-CB 4.41Å; W655-F659 AromaticContact CZ3-CD2 4Å; W655-F659 HydrophobicContact CZ3-CD2 4Å; W655-F659 HydrophobicContact CZ3-CG 4.35Å; W655-F659 WeakPolarHBondContact O-CA 3.33Å; W655-F659 WeakPolarHBondContact O-CB 3.49Å; W655-F659 PolarHBondContact O-N 3.33Å; W655-I660 PolarHBondContact O-N 2.8Å
656	V	85.9	Confident	79.6	Confident	6 Å²	6	38 Å²	38	4%	0.036	20%	0.2	C	C	.	.	I	π-helix	trans	-66.7	-44.3	176.5	178.8	0	0	0	0	112.4	L557 P634 I635 L638 I652 S653 S654 I660 L661	L557-V656 HydrophobicContact CD2-CB 3.94Å; L557-V656 HydrophobicContact CD2-CG1 3.79Å; P634-V656 HydrophobicContact CB-CG2 4.35Å; I635-V656 HydrophobicContact CD1-CG1 4.39Å; I635-V656 HydrophobicContact CG1-CG1 3.56Å; L638-V656 HydrophobicContact CD1-CB 4.02Å; L638-V656 HydrophobicContact CD1-CG1 4.37Å; L638-V656 HydrophobicContact CD1-CG2 3.48Å; L638-V656 VanDerWaalsContact CD1-CG2 3.48Å; I652-V656 WeakPolarHBondContact O-CG2 3.23Å; I652-V656 PolarHBondContact O-N 2.84Å; S653-V656 PolarHBondContact O-N 3.3Å; S654-V656 VanDerWaalsContact C-N 3.29Å; S654-V656 PolarHBondContact O-N 3.23Å; V656-I660 HydrophobicContact CG1-CB 4.34Å; V656-I660 HydrophobicContact CG2-CD1 3.9Å; V656-I660 PolarHBondContact O-N 3.06Å; V656-L661 WeakPolarHBondContact O-CB 3.49Å; V656-L661 PolarHBondContact O-N 3.12Å
657	V	84.9	Confident	80	Confident	6 Å²	6	37.9 Å²	37.9	4%	0.036	20%	0.196	C	C	.	.	I	π-helix	trans	-69.3	-40.7	-179.6	174.6	0	0	0	0	113.1	Y448 V553 F555 L557 S653 S654 P662	Y448-V657 WeakPolarHBondContact OH-CG1 3.27Å; V553-V657 HydrophobicContact CG1-CG1 3.79Å; F555-V657 HydrophobicContact CB-CG1 3.76Å; F555-V657 HydrophobicContact CB-CG2 4.34Å; F555-V657 HydrophobicContact CD1-CG1 4.13Å; F555-V657 HydrophobicContact CD1-CG2 3.61Å; F555-V657 HydrophobicContact CE1-CG2 4.26Å; F555-V657 HydrophobicContact CG-CG1 3.89Å; F555-V657 HydrophobicContact CG-CG2 4.19Å; L557-V657 HydrophobicContact CB-CG2 3.92Å; L557-V657 HydrophobicContact CD2-CG2 3.82Å; L557-V657 HydrophobicContact CG-CG2 4.44Å; S653-V657 WeakPolarHBondContact O-CG2 3.35Å; S653-V657 PolarHBondContact O-N 3.34Å; S654-V657 PolarHBondContact O-N 3Å; V657-P662 VanDerWaalsContact O-CD 3.22Å; V657-P662 WeakPolarHBondContact O-CD 3.2Å; V657-P662 WeakPolarHBondContact O-CG 3.17Å
658	I	85.3	Confident	80.6	Confident	1 Å²	1	29 Å²	29	1%	0.005	16%	0.155	C	C	.	.	I	π-helix	trans	-88.7	-35.7	-174.3	-64.8	171.7	0	0	0	111.8	L394 L399 F402 V403 V553 S654	L394-I658 HydrophobicContact CD2-CD1 3.55Å; L399-I658 HydrophobicContact CD1-CD1 4.41Å; L399-I658 HydrophobicContact CD2-CB 4.4Å; L399-I658 HydrophobicContact CD2-CG2 4.1Å; F402-I658 HydrophobicContact CD1-CG2 4.39Å; V403-I658 HydrophobicContact CG2-CG2 3.51Å; V553-I658 HydrophobicContact CG1-CG1 4.33Å; V553-I658 HydrophobicContact CG2-CD1 4.25Å; S654-I658 VanDerWaalsContact O-CB 3.27Å; S654-I658 WeakPolarHBondContact O-CB 3.38Å; S654-I658 WeakPolarHBondContact O-CG1 3.45Å; S654-I658 PolarHBondContact O-N 3.01Å
659	F	84.7	Confident	81.1	Confident	74 Å²	74	28.8 Å²	28.8	33%	0.325	15%	0.154	S	C	.	.	I	π-helix	trans	-100.7	-62.4	-175	-171.5	-89.1	0	0	0	112.4	F402 W655 I663	F402-F659 AromaticContact CD1-CD2 3.89Å; F402-F659 HydrophobicContact CD1-CD2 3.89Å; F402-F659 AromaticContact CD2-CD2 3.81Å; F402-F659 HydrophobicContact CD2-CD2 3.81Å; F402-F659 AromaticContact CD2-CE2 3.89Å; F402-F659 HydrophobicContact CD2-CE2 3.89Å; F402-F659 HydrophobicContact CE1-CB 4.1Å; F402-F659 AromaticContact CE1-CD2 3.47Å; F402-F659 HydrophobicContact CE1-CD2 3.47Å; F402-F659 VanDerWaalsContact CE1-CD2 3.47Å; F402-F659 HydrophobicContact CE1-CE2 4.21Å; F402-F659 AromaticContact CE1-CG 4Å; F402-F659 HydrophobicContact CE1-CG 4Å; F402-F659 AromaticContact CE2-CD2 3.38Å; F402-F659 HydrophobicContact CE2-CD2 3.38Å; F402-F659 AromaticContact CE2-CE2 3.27Å; F402-F659 HydrophobicContact CE2-CE2 3.27Å; F402-F659 HydrophobicContact CE2-CZ 4.34Å; F402-F659 HydrophobicContact CG-CD2 4.04Å; F402-F659 AromaticContact CZ-CD2 3.17Å; F402-F659 HydrophobicContact CZ-CD2 3.17Å; F402-F659 AromaticContact CZ-CE2 3.44Å; F402-F659 HydrophobicContact CZ-CE2 3.44Å; F402-F659 VanDerWaalsContact CZ-CE2 3.44Å; F402-F659 AromaticContact CZ-CG 3.92Å; F402-F659 HydrophobicContact CZ-CG 3.92Å; F402-F659 HydrophobicContact CZ-CZ 4.36Å; W655-F659 HydrophobicContact CE3-CB 3.88Å; W655-F659 HydrophobicContact CE3-CD2 4.27Å; W655-F659 HydrophobicContact CE3-CG 4.15Å; W655-F659 HydrophobicContact CZ3-CB 4.41Å; W655-F659 AromaticContact CZ3-CD2 4Å; W655-F659 HydrophobicContact CZ3-CD2 4Å; W655-F659 HydrophobicContact CZ3-CG 4.35Å; W655-F659 WeakPolarHBondContact O-CA 3.33Å; W655-F659 WeakPolarHBondContact O-CB 3.49Å; W655-F659 PolarHBondContact O-N 3.33Å; F659-I663 HydrophobicContact CD1-CD1 3.55Å; F659-I663 HydrophobicContact CD2-CD1 4.4Å; F659-I663 HydrophobicContact CE1-CD1 3.39Å; F659-I663 HydrophobicContact CE2-CD1 4.27Å; F659-I663 HydrophobicContact CG-CD1 4.06Å; F659-I663 HydrophobicContact CZ-CD1 3.78Å; F659-I663 WeakPolarHBondContact O-CD1 3.43Å; F659-I663 WeakPolarHBondContact O-CG1 3.48Å; F659-I663 PolarHBondContact O-N 2.95Å
660	I	86.8	Confident	81.3	Confident	39 Å²	39	28.7 Å²	28.7	20%	0.2	15%	0.149	C	C	.	.	I	π-helix	trans	-70.2	-49.8	-167.5	-57.4	-170.9	0	0	0	112	C631 P634 W655 V656 I663	C631-I660 HydrophobicContact CB-CG2 3.71Å; C631-I660 WeakPolarHBondContact O-CG2 3.3Å; P634-I660 HydrophobicContact CB-CD1 3.83Å; P634-I660 HydrophobicContact CG-CD1 3.77Å; P634-I660 HydrophobicContact CG-CG2 4.33Å; W655-I660 PolarHBondContact O-N 2.8Å; V656-I660 HydrophobicContact CG1-CB 4.34Å; V656-I660 HydrophobicContact CG2-CD1 3.9Å; V656-I660 PolarHBondContact O-N 3.06Å; I660-I663 PolarHBondContact O-N 3.03Å
661	L	85.4	Confident	81.5	Confident	9 Å²	9	29.8 Å²	29.8	5%	0.047	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-40.9	-172.9	178.5	153.3	0	0	0	113	M445 T487 F555 I635 V656	M445-L661 HydrophobicContact CE-CD2 3.38Å; M445-L661 HydrophobicContact SD-CD2 3.71Å; T487-L661 HydrophobicContact CG2-CD1 4.01Å; T487-L661 HydrophobicContact CG2-CD2 3.69Å; T487-L661 HydrophobicContact CG2-CG 3.92Å; F555-L661 HydrophobicContact CE1-CD1 4.05Å; F555-L661 HydrophobicContact CE2-CD1 4.44Å; F555-L661 HydrophobicContact CZ-CD1 3.7Å; I635-L661 HydrophobicContact CD1-CB 4.45Å; I635-L661 HydrophobicContact CD1-CD1 4Å; V656-L661 WeakPolarHBondContact O-CB 3.49Å; V656-L661 PolarHBondContact O-N 3.12Å
662	P	89.1	Confident	81.2	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-78.6	-15.1	177.1	-20.2	36.5	0	0	0	115.5	V406 M445 L449 V657 N664 S665 A666	V406-P662 HydrophobicContact CG1-CB 3.89Å; M445-P662 HydrophobicContact CG-CB 3.83Å; M445-P662 HydrophobicContact CG-CG 4.15Å; M445-P662 HydrophobicContact SD-CB 4.39Å; M445-P662 HydrophobicContact SD-CG 4.04Å; L449-P662 HydrophobicContact CD1-CB 3.64Å; L449-P662 HydrophobicContact CD1-CG 3.87Å; L449-P662 HydrophobicContact CD2-CG 4.23Å; L449-P662 HydrophobicContact CG-CB 4.48Å; L449-P662 HydrophobicContact CG-CG 4.31Å; V657-P662 VanDerWaalsContact O-CD 3.22Å; V657-P662 WeakPolarHBondContact O-CD 3.2Å; V657-P662 WeakPolarHBondContact O-CG 3.17Å; P662-N664 VanDerWaalsContact C-N 3.28Å; P662-N664 PolarHBondContact O-N 3.04Å; P662-S665 PolarHBondContact O-N 2.95Å; P662-A666 PolarHBondContact O-N 3.35Å
663	I	86.9	Confident	80.5	Confident	36 Å²	36	23.6 Å²	23.6	19%	0.185	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-36.1	178.7	-86.2	167	0	0	0	111.7	F402 F659 I660 A666 L667	F402-I663 HydrophobicContact CZ-CD1 4.13Å; F402-I663 HydrophobicContact CZ-CG1 4.15Å; F659-I663 HydrophobicContact CD1-CD1 3.55Å; F659-I663 HydrophobicContact CD2-CD1 4.4Å; F659-I663 HydrophobicContact CE1-CD1 3.39Å; F659-I663 HydrophobicContact CE2-CD1 4.27Å; F659-I663 HydrophobicContact CG-CD1 4.06Å; F659-I663 HydrophobicContact CZ-CD1 3.78Å; F659-I663 WeakPolarHBondContact O-CD1 3.43Å; F659-I663 WeakPolarHBondContact O-CG1 3.48Å; F659-I663 PolarHBondContact O-N 2.95Å; I660-I663 PolarHBondContact O-N 3.03Å; I663-A666 WeakPolarHBondContact O-CB 3.49Å; I663-A666 PolarHBondContact O-N 2.66Å; I663-A666 VanDerWaalsContact O-N 3.16Å; I663-L667 HydrophobicContact CG2-CD1 3.62Å; I663-L667 HydrophobicContact CG2-CG 4.16Å; I663-L667 WeakPolarHBondContact O-CG 3.45Å; I663-L667 PolarHBondContact O-N 3.38Å
664	N	83.1	Confident	79.9	Confident	12 Å²	12	26.4 Å²	26.4	6%	0.064	13%	0.131	C	C	.	.	H	α-helix	trans	-57.9	-53.8	177.1	-72.9	-5.5	0	0	0	111.1	T627 D628 C631 P662 A666 L667 N668	T627-N664 PolarHBondContact O-OD1 3.06Å; D628-N664 WeakPolarHBondContact CA-ND2 3.41Å; D628-N664 PolarHBondContact OD1-ND2 2.96Å; C631-N664 WeakPolarHBondContact CB-ND2 3.3Å; C631-N664 VanDerWaalsContact CB-OD1 3.27Å; C631-N664 WeakPolarHBondContact CB-OD1 3.45Å; C631-N664 PolarHBondContact SG-OD1 2.86Å; P662-N664 VanDerWaalsContact C-N 3.28Å; P662-N664 PolarHBondContact O-N 3.04Å; N664-A666 PolarHBondContact O-N 2.92Å; N664-A666 VanDerWaalsContact O-N 3.14Å; N664-L667 PolarHBondContact O-N 3.05Å; N664-N668 WeakPolarHBondContact O-CB 3.49Å; N664-N668 PolarHBondContact O-N 2.85Å
665	S	87.8	Confident	79.3	Confident	8 Å²	8	29.9 Å²	29.9	6%	0.056	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-20.9	178.4	-55.9	0	0	0	0	113.7	N414 D442 P662 P669	N414-S665 PolarHBondContact ND2-O 2.98Å; D442-S665 WeakPolarHBondContact OD1-CB 3.5Å; D442-S665 PolarHBondContact OD1-OG 2.78Å; P662-S665 PolarHBondContact O-N 2.95Å; S665-P669 WeakPolarHBondContact O-CD 3.29Å
666	A	87.1	Confident	78.3	Confident	12 Å²	12	26.6 Å²	26.6	10%	0.099	14%	0.143	C	C	.	.	H	α-helix	trans	-84.5	-40.5	175.7	0	0	0	0	0	113	V406 T409 T410 P662 I663 N664	V406-A666 HydrophobicContact CG1-CB 4.32Å; T409-A666 HydrophobicContact CG2-CB 4.43Å; T410-A666 HydrophobicContact CG2-CB 3.69Å; P662-A666 PolarHBondContact O-N 3.35Å; I663-A666 WeakPolarHBondContact O-CB 3.49Å; I663-A666 PolarHBondContact O-N 2.66Å; I663-A666 VanDerWaalsContact O-N 3.16Å; N664-A666 PolarHBondContact O-N 2.92Å; N664-A666 VanDerWaalsContact O-N 3.14Å
667	L	83.6	Confident	76.9	Confident	71 Å²	71	35.7 Å²	35.7	37%	0.372	18%	0.176	S	C	.	.	H	α-helix	trans	-79.8	-29.7	-179.8	-65.6	176.7	0	0	0	112.5	I663 N664 I670 L671	I663-L667 HydrophobicContact CG2-CD1 3.62Å; I663-L667 HydrophobicContact CG2-CG 4.16Å; I663-L667 WeakPolarHBondContact O-CG 3.45Å; I663-L667 PolarHBondContact O-N 3.38Å; N664-L667 PolarHBondContact O-N 3.05Å; L667-I670 HydrophobicContact CD2-CD1 4.32Å; L667-I670 WeakPolarHBondContact O-CA 3.48Å; L667-I670 VanDerWaalsContact O-CB 3.31Å; L667-I670 WeakPolarHBondContact O-CB 3.48Å; L667-I670 PolarHBondContact O-N 3.07Å; L667-L671 HydrophobicContact CB-CD1 4.33Å; L667-L671 WeakPolarHBondContact O-CG 3.33Å; L667-L671 PolarHBondContact O-N 3.36Å; L667-L671 VanDerWaalsContact O-N 3.07Å
668	N	78.7	Confident	75.6	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-46.7	-53.1	179.6	-92.1	-5	0	0	0	113.7	D442 N664 I670 L671 Y672	D442-N668 WeakPolarHBondContact OD2-CB 3.23Å; D442-N668 PolarHBondContact OD2-ND2 3.24Å; N664-N668 WeakPolarHBondContact O-CB 3.49Å; N664-N668 PolarHBondContact O-N 2.85Å; N668-I670 VanDerWaalsContact C-N 3.29Å; N668-I670 PolarHBondContact O-N 2.97Å; N668-L671 PolarHBondContact O-N 3.15Å; N668-L671 VanDerWaalsContact O-N 3.14Å; N668-Y672 VanDerWaalsContact C-CD2 3.45Å; N668-Y672 HydrophobicContact CB-CD2 4.02Å; N668-Y672 HydrophobicContact CB-CE2 3.46Å; N668-Y672 VanDerWaalsContact CB-CE2 3.46Å; N668-Y672 WeakPolarHBondContact O-CD2 3.4Å; N668-Y672 PolarHBondContact O-N 2.78Å; N668-Y672 PolarHBondContact OD1-OH 3.16Å
669	P	78.6	Confident	74.3	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.032	20%	0.201	C	C	.	.	H	α-helix	trans	-50.3	-41.8	173.5	-32.9	37.5	0	0	0	115.7	N414 V417 S665 T673	N414-P669 HydrophobicContact CB-CG 4.49Å; N414-P669 WeakPolarHBondContact OD1-CG 3.21Å; V417-P669 HydrophobicContact CG2-CB 3.79Å; S665-P669 WeakPolarHBondContact O-CD 3.29Å; P669-T673 PolarHBondContact O-N 2.82Å; P669-T673 VanDerWaalsContact O-N 3.12Å
670	I	72.8	Confident	73.2	Confident	74 Å²	74	42.5 Å²	42.5	38%	0.379	21%	0.213	S	C	.	.	I	π-helix	trans	-66.6	-46	-179.5	-51.4	-179.1	0	0	0	109.7	L667 N668 L674 T675	L667-I670 HydrophobicContact CD2-CD1 4.32Å; L667-I670 WeakPolarHBondContact O-CA 3.48Å; L667-I670 VanDerWaalsContact O-CB 3.31Å; L667-I670 WeakPolarHBondContact O-CB 3.48Å; L667-I670 PolarHBondContact O-N 3.07Å; N668-I670 VanDerWaalsContact C-N 3.29Å; N668-I670 PolarHBondContact O-N 2.97Å; I670-L674 HydrophobicContact CB-CD1 4.21Å; I670-L674 HydrophobicContact CG1-CD1 4.02Å; I670-L674 HydrophobicContact CG2-CB 4.42Å; I670-L674 HydrophobicContact CG2-CD1 4.17Å; I670-L674 PolarHBondContact O-N 3.19Å; I670-T675 PolarHBondContact O-N 2.8Å; I670-T675 PolarHBondContact O-OG1 3.49Å
671	L	69.2	Low	72	Confident	33 Å²	33	45.8 Å²	45.8	17%	0.173	23%	0.228	C	C	.	.	I	π-helix	trans	-70.8	-37.3	-179	-63.3	170.5	0	0	0	112.4	R620 I624 T627 L667 N668 T675	R620-L671 PolarHBondContact NE-O 2.81Å; R620-L671 VanDerWaalsContact NE-O 3.09Å; R620-L671 PolarHBondContact NH2-O 3.1Å; I624-L671 HydrophobicContact CD1-CB 4.19Å; I624-L671 HydrophobicContact CG1-CB 3.57Å; I624-L671 HydrophobicContact CG1-CD1 4.09Å; I624-L671 HydrophobicContact CG1-CG 4.36Å; T627-L671 HydrophobicContact CG2-CD1 4.32Å; T627-L671 WeakPolarHBondContact OG1-CD1 3.44Å; L667-L671 HydrophobicContact CB-CD1 4.33Å; L667-L671 WeakPolarHBondContact O-CG 3.33Å; L667-L671 PolarHBondContact O-N 3.36Å; L667-L671 VanDerWaalsContact O-N 3.07Å; N668-L671 PolarHBondContact O-N 3.15Å; N668-L671 VanDerWaalsContact O-N 3.14Å; L671-T675 PolarHBondContact O-OG1 3Å; L671-T675 VanDerWaalsContact O-OG1 3.13Å
672	Y	66.5	Low	71	Confident	3 Å²	3	47.7 Å²	47.7	1%	0.012	24%	0.239	C	C	.	.	I	π-helix	trans	-76.9	-38.4	-179.5	-66.3	-49.4	0	0	0	114.3	R421 I435 L438 L494 R620 F621 I624 N668	R421-Y672 PolarHBondContact NH2-O 3.06Å; I435-Y672 HydrophobicContact CG2-CG 4.26Å; L438-Y672 HydrophobicContact CD2-CE1 4.28Å; L438-Y672 HydrophobicContact CD2-CE2 3.67Å; L438-Y672 VanDerWaalsContact CD2-CZ 3.46Å; L438-Y672 WeakPolarHBondContact CD2-OH 3.37Å; L438-Y672 HydrophobicContact CG-CE2 4.25Å; L494-Y672 WeakPolarHBondContact CD2-OH 3.11Å; R620-Y672 PolarHBondContact NH1-O 2.98Å; R620-Y672 VanDerWaalsContact NH1-O 3.09Å; R620-Y672 PolarHBondContact NH2-O 3.08Å; F621-Y672 HydrophobicContact CE1-CE1 4.43Å; I624-Y672 HydrophobicContact CD1-CD1 3.65Å; I624-Y672 HydrophobicContact CD1-CE1 3.51Å; I624-Y672 HydrophobicContact CG1-CD1 4.48Å; I624-Y672 HydrophobicContact CG1-CE1 4.07Å; I624-Y672 HydrophobicContact CG2-CE1 3.81Å; I624-Y672 WeakPolarHBondContact CG2-OH 3.48Å; N668-Y672 VanDerWaalsContact C-CD2 3.45Å; N668-Y672 HydrophobicContact CB-CD2 4.02Å; N668-Y672 HydrophobicContact CB-CE2 3.46Å; N668-Y672 VanDerWaalsContact CB-CE2 3.46Å; N668-Y672 WeakPolarHBondContact O-CD2 3.4Å; N668-Y672 PolarHBondContact O-N 2.78Å; N668-Y672 PolarHBondContact OD1-OH 3.16Å
673	T	65.1	Low	69.8	Low	4 Å²	4	51.5 Å²	51.5	3%	0.025	26%	0.259	C	S	.	.	I	π-helix	trans	-124.4	-51	-166.6	-62.2	0	0	0	0	113.7	V417 R421 P669 T675 T676 F679	V417-T673 WeakPolarHBondContact CG1-OG1 3.25Å; V417-T673 HydrophobicContact CG2-CG2 4.35Å; R421-T673 PolarHBondContact NE-OG1 3.22Å; R421-T673 VanDerWaalsContact NE-OG1 3.11Å; R421-T673 PolarHBondContact NH2-OG1 3.35Å; P669-T673 PolarHBondContact O-N 2.82Å; P669-T673 VanDerWaalsContact O-N 3.12Å; T673-T675 PolarHBondContact O-N 3.42Å; T673-T675 VanDerWaalsContact O-N 3.11Å; T673-T676 PolarHBondContact O-N 3.02Å; T673-T676 PolarHBondContact O-OG1 2.86Å; T673-F679 HydrophobicContact CG2-CD2 4.2Å
674	L	60.4	Low	68.9	Low	63 Å²	63	55.5 Å²	55.5	33%	0.33	28%	0.28	S	S	.	.	I	π-helix	trans	-62.5	-25.7	-172.3	-55.5	-174.9	0	0	0	113.8	F416 I670 F679	F416-L674 HydrophobicContact CE1-CD2 3.88Å; I670-L674 HydrophobicContact CB-CD1 4.21Å; I670-L674 HydrophobicContact CG1-CD1 4.02Å; I670-L674 HydrophobicContact CG2-CB 4.42Å; I670-L674 HydrophobicContact CG2-CD1 4.17Å; I670-L674 PolarHBondContact O-N 3.19Å; L674-F679 HydrophobicContact CB-CE1 4.1Å; L674-F679 HydrophobicContact CD2-CE1 3.6Å; L674-F679 HydrophobicContact CD2-CE2 3.88Å; L674-F679 HydrophobicContact CD2-CZ 3.21Å; L674-F679 HydrophobicContact CG-CE1 4.46Å; L674-F679 HydrophobicContact CG-CZ 4.45Å; L674-F679 VanDerWaalsContact O-CD1 3.27Å; L674-F679 WeakPolarHBondContact O-CD1 2.99Å
675	T	60.6	Low	68.1	Low	75 Å²	75	61 Å²	61	46%	0.46	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3	178.2	48.8	0	0	0	0	115.1	R620 I670 L671 T673	R620-T675 VanDerWaalsContact CZ-OG1 3.31Å; R620-T675 PolarHBondContact NE-OG1 3.46Å; R620-T675 PolarHBondContact NH2-OG1 2.96Å; I670-T675 PolarHBondContact O-N 2.8Å; I670-T675 PolarHBondContact O-OG1 3.49Å; L671-T675 PolarHBondContact O-OG1 3Å; L671-T675 VanDerWaalsContact O-OG1 3.13Å; T673-T675 PolarHBondContact O-N 3.42Å; T673-T675 VanDerWaalsContact O-N 3.11Å
676	T	62.4	Low	67.1	Low	24 Å²	24	64.8 Å²	64.8	15%	0.147	33%	0.328	C	S	.	.			trans	-76.3	146.1	176.6	56.4	0	0	0	0	113.5	T673 F679 K680	T673-T676 PolarHBondContact O-N 3.02Å; T673-T676 PolarHBondContact O-OG1 2.86Å; T676-F679 PolarHBondContact O-N 3.18Å; T676-F679 WeakPolarHBondContact OG1-CB 3.17Å; T676-F679 PolarHBondContact OG1-N 3.26Å; T676-K680 PolarHBondContact O-N 2.67Å; T676-K680 VanDerWaalsContact O-N 3.16Å
677	R	56.4	Low	66.2	Low	197 Å²	197	71.9 Å²	71.9	74%	0.743	35%	0.353	S	S	*	.	H	α-helix	trans	-58.3	-52.5	169.8	-72.2	-172.6	-179	-175.7	-1.1	113.7	F679 K680 E681	R677-F679 PolarHBondContact O-N 2.84Å; R677-K680 WeakPolarHBondContact O-CB 3.37Å; R677-K680 PolarHBondContact O-N 3.48Å; R677-E681 PolarHBondContact O-N 2.03Å
678	P	56.1	Low	65.4	Low	72 Å²	72	70.8 Å²	70.8	47%	0.468	35%	0.353	S	S	.	.	H	α-helix	trans	-58.5	-30.5	177.1	19.8	-33.9	0	0	0	113.4	T682	P678-T682 WeakPolarHBondContact O-CB 3.41Å; P678-T682 PolarHBondContact O-N 3.45Å; P678-T682 PolarHBondContact O-OG1 2.69Å
679	F	59.5	Low	64.9	Low	22 Å²	22	75 Å²	75	10%	0.096	38%	0.376	C	S	.	.	H	α-helix	trans	-68.3	-43.8	172.6	176.6	-97.9	0	0	0	112.5	F416 T673 L674 T676 R677 E681 T682 I683	F416-F679 HydrophobicContact CE1-CE2 4.09Å; F416-F679 HydrophobicContact CE1-CZ 4.39Å; F416-F679 HydrophobicContact CZ-CE2 4.16Å; F416-F679 HydrophobicContact CZ-CZ 4.48Å; T673-F679 HydrophobicContact CG2-CD2 4.2Å; L674-F679 HydrophobicContact CB-CE1 4.1Å; L674-F679 HydrophobicContact CD2-CE1 3.6Å; L674-F679 HydrophobicContact CD2-CE2 3.88Å; L674-F679 HydrophobicContact CD2-CZ 3.21Å; L674-F679 HydrophobicContact CG-CE1 4.46Å; L674-F679 HydrophobicContact CG-CZ 4.45Å; L674-F679 VanDerWaalsContact O-CD1 3.27Å; L674-F679 WeakPolarHBondContact O-CD1 2.99Å; T676-F679 PolarHBondContact O-N 3.18Å; T676-F679 WeakPolarHBondContact OG1-CB 3.17Å; T676-F679 PolarHBondContact OG1-N 3.26Å; R677-F679 PolarHBondContact O-N 2.84Å; F679-E681 VanDerWaalsContact C-N 3.31Å; F679-E681 PolarHBondContact O-N 2.78Å; F679-T682 PolarHBondContact O-N 3.14Å; F679-I683 HydrophobicContact CD1-CD1 4.28Å; F679-I683 HydrophobicContact CE1-CD1 3.44Å; F679-I683 VanDerWaalsContact CE1-CD1 3.44Å; F679-I683 HydrophobicContact CE1-CG1 4.17Å; F679-I683 HydrophobicContact CE2-CD1 3.91Å; F679-I683 HydrophobicContact CE2-CG1 4.17Å; F679-I683 HydrophobicContact CZ-CD1 3.22Å; F679-I683 HydrophobicContact CZ-CG1 3.95Å; F679-I683 WeakPolarHBondContact O-CB 3.02Å; F679-I683 PolarHBondContact O-N 2.85Å
680	K	61	Low	64.2	Low	131 Å²	131	82.9 Å²	82.9	57%	0.57	41%	0.406	S	S	*	.	H	α-helix	trans	-59.3	-43.4	173.5	-69.3	-173.3	177.3	-169.8	0	111.4	T676 R677 L684	T676-K680 PolarHBondContact O-N 2.67Å; T676-K680 VanDerWaalsContact O-N 3.16Å; R677-K680 WeakPolarHBondContact O-CB 3.37Å; R677-K680 PolarHBondContact O-N 3.48Å; K680-L684 WeakPolarHBondContact O-CB 3.31Å; K680-L684 WeakPolarHBondContact O-CD1 3.49Å; K680-L684 WeakPolarHBondContact O-CG 3.37Å; K680-L684 PolarHBondContact O-N 3.41Å
681	E	62.5	Low	63.6	Low	108 Å²	108	88.3 Å²	88.3	51%	0.505	42%	0.422	S	S	.	.	H	α-helix	trans	-65.3	-43.9	177.2	-70.6	153.3	-161.2	0	0	111.9	R677 F679 L684 Q685	R677-E681 PolarHBondContact O-N 2.03Å; F679-E681 VanDerWaalsContact C-N 3.31Å; F679-E681 PolarHBondContact O-N 2.78Å; E681-L684 PolarHBondContact O-N 2.99Å; E681-Q685 WeakPolarHBondContact O-CG 3.22Å; E681-Q685 PolarHBondContact O-N 2.63Å
682	T	62.7	Low	63	Low	48 Å²	48	94.2 Å²	94.2	29%	0.294	45%	0.449	S	S	.	.	H	α-helix	trans	-67	-40.6	177.5	-49.5	0	0	0	0	111.5	P678 F679 Q685 V686	P678-T682 WeakPolarHBondContact O-CB 3.41Å; P678-T682 PolarHBondContact O-N 3.45Å; P678-T682 PolarHBondContact O-OG1 2.69Å; F679-T682 PolarHBondContact O-N 3.14Å; T682-Q685 PolarHBondContact O-N 3.26Å; T682-V686 WeakPolarHBondContact O-CB 3.34Å; T682-V686 VanDerWaalsContact O-CG2 3.32Å; T682-V686 WeakPolarHBondContact O-CG2 3.35Å; T682-V686 PolarHBondContact O-N 3.46Å
683	I	65.6	Low	62.3	Low	80 Å²	80	102.4 Å²	102.4	41%	0.41	49%	0.485	S	S	.	.	H	α-helix	trans	-62.8	-45.4	172.1	-80.9	-164.4	0	0	0	110.5	F679 Q685 V686 W687	F679-I683 HydrophobicContact CD1-CD1 4.28Å; F679-I683 HydrophobicContact CE1-CD1 3.44Å; F679-I683 VanDerWaalsContact CE1-CD1 3.44Å; F679-I683 HydrophobicContact CE1-CG1 4.17Å; F679-I683 HydrophobicContact CE2-CD1 3.91Å; F679-I683 HydrophobicContact CE2-CG1 4.17Å; F679-I683 HydrophobicContact CZ-CD1 3.22Å; F679-I683 HydrophobicContact CZ-CG1 3.95Å; F679-I683 WeakPolarHBondContact O-CB 3.02Å; F679-I683 PolarHBondContact O-N 2.85Å; I683-Q685 VanDerWaalsContact C-N 3.28Å; I683-Q685 PolarHBondContact O-N 2.66Å; I683-V686 PolarHBondContact O-N 3.22Å; I683-W687 WeakPolarHBondContact O-CB 3.36Å; I683-W687 PolarHBondContact O-N 2.87Å
684	L	66.6	Low	61.2	Low	120 Å²	120	112 Å²	112	63%	0.628	52%	0.52	S	S	*	.	H	α-helix	trans	-60.7	-38	178	-75	166	0	0	0	111.8	K680 E681 A688	K680-L684 WeakPolarHBondContact O-CB 3.31Å; K680-L684 WeakPolarHBondContact O-CD1 3.49Å; K680-L684 WeakPolarHBondContact O-CG 3.37Å; K680-L684 PolarHBondContact O-N 3.41Å; E681-L684 PolarHBondContact O-N 2.99Å; L684-A688 WeakPolarHBondContact O-CB 3.43Å; L684-A688 PolarHBondContact O-N 2.74Å
685	Q	67.2	Low	60.3	Low	127 Å²	127	114.4 Å²	114.4	59%	0.593	54%	0.54	S	S	*	.	H	α-helix	trans	-67.5	-45.2	173.1	-74	176.4	-9.2	0	0	112.8	E681 T682 I683 W687 A688 N689	E681-Q685 WeakPolarHBondContact O-CG 3.22Å; E681-Q685 PolarHBondContact O-N 2.63Å; T682-Q685 PolarHBondContact O-N 3.26Å; I683-Q685 VanDerWaalsContact C-N 3.28Å; I683-Q685 PolarHBondContact O-N 2.66Å; Q685-W687 VanDerWaalsContact C-N 3.34Å; Q685-W687 PolarHBondContact O-N 3Å; Q685-A688 PolarHBondContact O-N 3.45Å; Q685-N689 WeakPolarHBondContact O-CB 3Å; Q685-N689 VanDerWaalsContact O-CG 3.25Å; Q685-N689 PolarHBondContact O-N 2.84Å; Q685-N689 PolarHBondContact O-ND2 2.82Å
686	V	67.4	Low	59.6	Low	89 Å²	89	119.3 Å²	119.3	54%	0.539	56%	0.562	S	S	.	*	H	α-helix	trans	-63.7	-41.1	176.3	169.5	0	0	0	0	110.8	T682 I683 N689 Y690	T682-V686 WeakPolarHBondContact O-CB 3.34Å; T682-V686 VanDerWaalsContact O-CG2 3.32Å; T682-V686 WeakPolarHBondContact O-CG2 3.35Å; T682-V686 PolarHBondContact O-N 3.46Å; I683-V686 PolarHBondContact O-N 3.22Å; V686-N689 PolarHBondContact O-N 2.95Å; V686-Y690 WeakPolarHBondContact O-CB 3.48Å; V686-Y690 PolarHBondContact O-N 2.84Å
687	W	67.9	Low	58.5	Low	161 Å²	161	125.9 Å²	125.9	61%	0.61	60%	0.596	S	S	*	*	H	α-helix	trans	-69.9	-37.6	178.2	-146.3	83	0	0	0	111.4	I683 Q685 Y690 R691	I683-W687 WeakPolarHBondContact O-CB 3.36Å; I683-W687 PolarHBondContact O-N 2.87Å; Q685-W687 VanDerWaalsContact C-N 3.34Å; Q685-W687 PolarHBondContact O-N 3Å; W687-Y690 PolarHBondContact O-N 2.88Å; W687-R691 VanDerWaalsContact O-CB 3.24Å; W687-R691 WeakPolarHBondContact O-CB 3.33Å; W687-R691 PolarHBondContact O-N 3.06Å
688	A	66.1	Low	57.3	Low	47 Å²	47	121.9 Å²	121.9	39%	0.388	60%	0.598	S	S	.	*	H	α-helix	trans	-62.9	-46.5	170.9	0	0	0	0	0	111.7	L684 Q685 Y690 R691 Q692	L684-A688 WeakPolarHBondContact O-CB 3.43Å; L684-A688 PolarHBondContact O-N 2.74Å; Q685-A688 PolarHBondContact O-N 3.45Å; A688-Y690 VanDerWaalsContact C-N 3.33Å; A688-Y690 PolarHBondContact O-N 3Å; A688-R691 PolarHBondContact O-N 2.92Å; A688-Q692 PolarHBondContact O-N 2.03Å
689	N	68.1	Low	56.1	Low	92 Å²	92	122.1 Å²	122.1	49%	0.492	61%	0.613	S	S	.	*	H	α-helix	trans	-63.3	-36.7	175.3	-73.5	-16.3	0	0	0	112.1	Q685 V686 Q692 K693	Q685-N689 WeakPolarHBondContact O-CB 3Å; Q685-N689 VanDerWaalsContact O-CG 3.25Å; Q685-N689 PolarHBondContact O-N 2.84Å; Q685-N689 PolarHBondContact O-ND2 2.82Å; V686-N689 PolarHBondContact O-N 2.95Å; N689-Q692 PolarHBondContact O-N 3.15Å; N689-K693 WeakPolarHBondContact O-CB 2.98Å; N689-K693 WeakPolarHBondContact O-CG 3.44Å; N689-K693 PolarHBondContact O-N 3.45Å
690	Y	64.6	Low	54.6	Low	171 Å²	171	130.1 Å²	130.1	67%	0.671	65%	0.65	S	S	*	*	H	α-helix	trans	-70.3	-35.4	175.2	-155.6	-92.4	0	0	0	111.8	V686 W687 A688 K693 R694	V686-Y690 WeakPolarHBondContact O-CB 3.48Å; V686-Y690 PolarHBondContact O-N 2.84Å; W687-Y690 PolarHBondContact O-N 2.88Å; A688-Y690 VanDerWaalsContact C-N 3.33Å; A688-Y690 PolarHBondContact O-N 3Å; Y690-K693 PolarHBondContact O-N 2.96Å; Y690-R694 PolarHBondContact O-N 2.91Å
691	R	59.5	Low	53.7	Low	187 Å²	187	129 Å²	129	71%	0.706	66%	0.656	S	S	*	*	H	α-helix	trans	-70	-33.9	174.5	-157.9	175.1	-166.4	-175	4	111.9	W687 A688	W687-R691 VanDerWaalsContact O-CB 3.24Å; W687-R691 WeakPolarHBondContact O-CB 3.33Å; W687-R691 PolarHBondContact O-N 3.06Å; A688-R691 PolarHBondContact O-N 2.92Å
692	Q	57	Low	52.8	Low	158 Å²	158	128.6 Å²	128.6	74%	0.738	66%	0.663	S	S	*	*	H	α-helix	trans	-73	-27.8	169.4	-78.6	-178.5	-34	0	0	113.3	A688 N689	A688-Q692 PolarHBondContact O-N 2.03Å; N689-Q692 PolarHBondContact O-N 3.15Å
693	K	51.8	Low	51.1	Low	175 Å²	175	135.1 Å²	135.1	76%	0.761	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	3.5	178.2	-79.9	-173	175.7	-172.9	0	115.3	N689 Y690 P695	N689-K693 WeakPolarHBondContact O-CB 2.98Å; N689-K693 WeakPolarHBondContact O-CG 3.44Å; N689-K693 PolarHBondContact O-N 3.45Å; Y690-K693 PolarHBondContact O-N 2.96Å; K693-P695 VanDerWaalsContact O-CD 3.3Å; K693-P695 WeakPolarHBondContact O-CD 3.18Å
694	R	40.9	Very low	49.3	Very low	204 Å²	204	139.9 Å²	139.9	77%	0.77	71%	0.71	S	S	*	*			trans	-77.5	116	166.4	-94.7	-169.4	174.1	-169.7	-0.8	109.7	Y690	Y690-R694 PolarHBondContact O-N 2.91Å
695	P	43.2	Very low	48.1	Very low	114 Å²	114	139.8 Å²	139.8	74%	0.74	72%	0.717	S	S	*	*			trans	-71.6	130.6	169.1	-9.5	27.3	0	0	0	109.4	K693 L697	K693-P695 VanDerWaalsContact O-CD 3.3Å; K693-P695 WeakPolarHBondContact O-CD 3.18Å; P695-L697 PolarHBondContact O-N 3.27Å
696	L	45.6	Very low	46	Very low	178 Å²	178	138.5 Å²	138.5	93%	0.932	72%	0.722	S	S	*	*			trans	-73.2	111.4	161.4	-91	158.1	0	0	0	108
697	L	39	Very low	44.1	Very low	163 Å²	163	142.6 Å²	142.6	85%	0.853	74%	0.74	S	S	*	*			trans	-127.6	69.8	-178.8	-149.8	92.1	0	0	0	113.5	P695	P695-L697 PolarHBondContact O-N 3.27Å
698	S	30.6	Very low	42	Very low	113 Å²	113	140.7 Å²	140.7	79%	0.79	75%	0.746	S	S	*	*	S	Bend	trans	178.8	98.1	145.8	59.1	0	0	0	0	106.2
699	G	30.8	Very low	40.1	Very low	76 Å²	76	148.3 Å²	148.3	78%	0.784	77%	0.765	S	S	*	*				87.7	120	75.1	0	0	0	0	0	108.9
700	H	29.2	Very low	38	Very low	191 Å²	191	152.1 Å²	152.1	88%	0.884	78%	0.78	S	S	*	*			cis	-146.5	172.2	12.5	-103.8	-41.5	0	0	0	111.8
701	P	41.2	Very low	36.3	Very low	106 Å²	106	150.4 Å²	150.4	69%	0.688	78%	0.778	S	S	*	*			trans	-95.6	-166.4	179.1	44	-38.6	0	0	0	111.5
702	P	44.4	Very low	34.5	Very low	101 Å²	101	149.1 Å²	149.1	66%	0.656	78%	0.782	S	S	*	*			cis	-135.8	164.4	-0.2	41.8	-25	0	0	0	117.1
703	H	26.6	Very low	32.9	Very low	185 Å²	185	152.7 Å²	152.7	86%	0.856	79%	0.789	S	S	*	*				-176.2	125.4	119.9	-103.1	-73.2	0	0	0	111.9
704	H	28.1	Very low	32.7	Very low	179 Å²	179	149 Å²	149	83%	0.829	78%	0.783	S	S	*	*			trans	-92	174.8	165.6	-84.5	-65	0	0	0	109.5
705	P	40.8	Very low	31.9	Very low	118 Å²	118	146.3 Å²	146.3	77%	0.766	78%	0.782	S	S	*	*			cis	-129.9	-168.5	13.1	45.8	-28.3	0	0	0	112.4
706	S	23.8	Very low	31	Very low	100 Å²	100	147.8 Å²	147.8	70%	0.699	78%	0.779	S	S	*	*			cis	-151	140.1	10.9	44	0	0	0	0	111.5
707	L	27.3	Very low	30	Very low	175 Å²	175	146.2 Å²	146.2	92%	0.916	77%	0.767	S	S	*	*			trans	-154.8	109.3	141.7	-145.3	81.7	0	0	0	108.7
708	T	24.3	Very low	29.2	Very low	121 Å²	121	144.7 Å²	144.7	74%	0.742	76%	0.76	S	S	*	*			trans	-90.5	132.6	178.4	40.6	0	0	0	0	110.7
709	W	26	Very low	28.8	Very low	208 Å²	208	143.9 Å²	143.9	79%	0.788	75%	0.754	S	S	*	*			trans	19.6	145.8	133.8	-57.8	91.9	0	0	0	118.7
710	Q	23.7	Very low	28.5	Very low	172 Å²	172	149.5 Å²	149.5	80%	0.804	76%	0.76	S	S	*	*			cis	-163.6	177.1	48.1	-155.3	158.1	-14.3	0	0	114.7
711	E	28.2	Very low	28.3	Very low	135 Å²	135	143.6 Å²	143.6	63%	0.631	75%	0.751	S	S	*	*			trans	-68	-172.6	178.6	-47.5	173.7	126.7	0	0	112.3
712	M	21.3	Very low	27.5	Very low	159 Å²	159	145.7 Å²	145.7	78%	0.783	76%	0.761	S	S	*	*			cis	-162.3	-176	13.2	-148.6	149	64.5	0	0	110.6
713	W	24.7	Very low	26.5	Very low	234 Å²	234	145.9 Å²	145.9	89%	0.886	77%	0.765	S	S	*	*			trans	-70.2	-178	169.5	-76.5	45.8	0	0	0	112.6
714	P	47.4	Very low	27.2	Very low	98 Å²	98	143.4 Å²	143.4	64%	0.636	77%	0.765	S	S	*	*			cis	-139.5	-160	-32.6	33.3	-10	0	0	0	113.8
715	L	24	Very low	27	Very low	146 Å²	146	138.7 Å²	138.7	76%	0.764	77%	0.765	S	S	*	*			trans	83.6	121.5	150.3	-72.8	167.2	0	0	0	123.4
716	Q	24.1	Very low	26.1	Very low	145 Å²	145	138.7 Å²	138.7	68%	0.678	77%	0.767	S	S	*	*				75.5	119.2	122.3	-162.2	154.9	-13.9	0	0	123.8
717	E	23.5	Very low	26.8	Very low	146 Å²	146	139.2 Å²	139.2	68%	0.682	77%	0.767	S	S	*	*			trans	69.4	133.9	145.5	-83.3	173.5	150.6	0	0	125.7
718	N	22.9	Very low	26.8	Very low	130 Å²	130	137.6 Å²	137.6	70%	0.695	76%	0.759	S	S	*	*			trans	79.6	105.2	138	-69.6	-20.8	0	0	0	122.6
719	S	22.8	Very low	26.9	Very low	96 Å²	96	139.9 Å²	139.9	67%	0.671	76%	0.762	S	S	*	*				103.5	139.8	115.6	80	0	0	0	0	119.2
720	H	24.8	Very low	26.9	Very low	194 Å²	194	134.1 Å²	134.1	90%	0.898	76%	0.758	S	S	*	*			trans	31.6	127.7	161.9	-49.6	-65.7	0	0	0	119.5
721	G	23.5	Very low	27	Very low	67 Å²	67	134.7 Å²	134.7	69%	0.691	76%	0.758	S	S	*	*			cis	164.4	-158.5	4.8	0	0	0	0	0	110.1
722	V	24.9	Very low	27	Very low	150 Å²	150	134.4 Å²	134.4	91%	0.909	76%	0.76	S	S	*	*			trans	78.1	108.1	163.1	-173.7	0	0	0	0	117.9
723	S	23.4	Very low	27.4	Very low	106 Å²	106	132.7 Å²	132.7	74%	0.741	76%	0.759	S	S	*	*			trans	-67.2	179.1	158.1	-33	0	0	0	0	111.4
724	P	41	Very low	27.7	Very low	133 Å²	133	126.2 Å²	126.2	86%	0.864	76%	0.755	S	S	*	*			cis	-142	-173.2	14.8	42.3	-21.9	0	0	0	116
725	G	25.3	Very low	27	Very low	80 Å²	80	126.2 Å²	126.2	83%	0.825	76%	0.764	S	S	*	*			trans	161.5	87.9	163	0	0	0	0	0	116.7
726	C	21.8	Very low	27.1	Very low	118 Å²	118	129.2 Å²	129.2	80%	0.797	77%	0.77	S	S	*	*			trans	-100.1	158.4	160.7	-130.7	0	0	0	0	108.9
727	P	37.3	Very low	27.8	Very low	110 Å²	110	130 Å²	130	71%	0.714	78%	0.779	S	S	*	*				-134.1	161.3	76.1	10.2	15.7	0	0	0	113.7
728	L	26.9	Very low	29	Very low	142 Å²	142	128.5 Å²	128.5	74%	0.743	78%	0.782	S	S	*	*				54.6	136.9	74.1	-56.4	163.3	0	0	0	113.2
729	E	27	Very low	30.7	Very low	169 Å²	169	127.3 Å²	127.3	79%	0.79	78%	0.781	S	S	*	*			cis	-160	138.4	0.8	-109.2	172.5	147.5	0	0	107.3
730	A	26.3	Very low	31.3	Very low	86 Å²	86	128.9 Å²	128.9	71%	0.711	79%	0.786	S	S	*	*				79.2	143.6	90.8	0	0	0	0	0	118.6
731	K	26.4	Very low	31.6	Very low	185 Å²	185	128.3 Å²	128.3	80%	0.804	78%	0.784	S	S	*	*			trans	76.7	152.9	165	-61.3	-171.7	165	-174.4	0	119.5
732	D	27.8	Very low	31.9	Very low	128 Å²	128	132.3 Å²	132.3	68%	0.684	79%	0.79	S	S	*	*			cis	-158.8	164.2	-17.1	-106.7	-28.2	0	0	0	113.1
733	T	30	Very low	33.2	Very low	124 Å²	124	129.9 Å²	129.9	76%	0.761	78%	0.777	S	S	*	*			trans	-15.9	133.4	170.4	50	0	0	0	0	127
734	A	31.6	Very low	33.6	Very low	97 Å²	97	131.8 Å²	131.8	80%	0.802	78%	0.778	S	S	*	*				82.8	141.5	112.4	0	0	0	0	0	127.5
735	A	31.6	Very low	33.2	Very low	98 Å²	98	134.6 Å²	134.6	81%	0.81	78%	0.78	S	S	*	*			trans	72	152.3	160.9	0	0	0	0	0	118.7
736	K	26.7	Very low	33.2	Very low	209 Å²	209	133.8 Å²	133.8	91%	0.909	77%	0.772	S	S	*	*			cis	-159.9	167.3	11	-139	170.2	-175	178.6	0	111.8
737	L	38.5	Very low	33.5	Very low	162 Å²	162	138.5 Å²	138.5	85%	0.848	78%	0.775	S	S	*	*			trans	-75.7	167.8	176.8	-92.2	142	0	0	0	114.6
738	P	48.6	Very low	33.1	Very low	115 Å²	115	138.3 Å²	138.3	75%	0.747	77%	0.767	S	S	*	*				-155.2	-139.4	60.7	38	-9.8	0	0	0	116.4
739	P	58.4	Low	33.2	Very low	105 Å²	105	136.9 Å²	136.9	68%	0.682	76%	0.761	S	S	*	*				-132.7	170.4	-73	36.1	-17.1	0	0	0	119.3
740	V	35.6	Very low	33.3	Very low	128 Å²	128	137.2 Å²	137.2	78%	0.776	76%	0.76	S	S	*	*			trans	62.1	145.5	141.4	172.1	0	0	0	0	119.1
741	E	31.6	Very low	33.2	Very low	182 Å²	182	140.1 Å²	140.1	85%	0.85	76%	0.764	S	S	*	*			cis	-162.5	-177.1	49.7	-149.5	147.6	-136.1	0	0	115.5
742	N	30.4	Very low	33.4	Very low	152 Å²	152	135.2 Å²	135.2	81%	0.813	76%	0.758	S	S	*	*			trans	-100	-172.1	-177.7	-113.9	12.1	0	0	0	112.2
743	P	51	Low	33.3	Very low	99 Å²	99	134.3 Å²	134.3	64%	0.643	76%	0.761	S	S	*	*			cis	-155.2	-173.4	31.7	47.3	-24.4	0	0	0	120.4
744	D	32.6	Very low	33.2	Very low	145 Å²	145	133.9 Å²	133.9	78%	0.775	76%	0.758	S	S	*	*			trans	47.7	159.9	142.2	-59.9	-7.8	0	0	0	124.4
745	E	31.1	Very low	33	Very low	192 Å²	192	137.7 Å²	137.7	90%	0.897	76%	0.757	S	S	*	*			cis	-165.1	161.4	-33.3	-129	-165	-177.9	0	0	109.5
746	G	26.9	Very low	32.9	Very low	64 Å²	64	139.5 Å²	139.5	66%	0.66	75%	0.748	S	S	*	*			trans	124.2	116.5	151.4	0	0	0	0	0	122.8
747	Y	26.6	Very low	32.9	Very low	217 Å²	217	136.4 Å²	136.4	85%	0.851	74%	0.737	S	S	*	*			trans	52.2	144	133.2	-85.8	-115.1	0	0	0	122.3
748	N	30.4	Very low	32.5	Very low	105 Å²	105	136 Å²	136	56%	0.561	73%	0.731	S	S	*	*			cis	-168.9	167.3	-9.4	-136.2	24.3	0	0	0	114.4
749	D	27.8	Very low	31.6	Very low	112 Å²	112	137 Å²	137	60%	0.599	73%	0.726	S	S	*	*			trans	88.4	114.2	143.2	-65.3	-29.7	0	0	0	127.5
750	F	28.6	Very low	30.2	Very low	177 Å²	177	139.9 Å²	139.9	78%	0.776	73%	0.727	S	S	*	*			trans	50.6	148.2	137.8	-70.2	-91.6	0	0	0	123.1
751	N	26.1	Very low	29.8	Very low	147 Å²	147	140.2 Å²	140.2	79%	0.786	72%	0.721	S	S	*	*			cis	-148.4	169.1	22.8	-148.2	-22.7	0	0	0	114.8
752	A	29.4	Very low	29.5	Very low	82 Å²	82	139.1 Å²	139.1	68%	0.678	72%	0.715	S	S	*	*			trans	-74.8	159.3	-167.7	0	0	0	0	0	115.9
753	S	26	Very low	29.1	Very low	108 Å²	108	135.8 Å²	135.8	76%	0.755	71%	0.709	S	S	*	*				173	161.8	70.8	50.9	0	0	0	0	108.9
754	T	27.5	Very low	27.8	Very low	115 Å²	115	137.3 Å²	137.3	71%	0.706	72%	0.716	S	S	*	*			cis	-157	135.4	17.2	-30.3	0	0	0	0	111.3
755	K	28	Very low	27.3	Very low	178 Å²	178	137.6 Å²	137.6	77%	0.774	72%	0.717	S	S	*	*			trans	46.2	142.2	145.6	-70.8	-174.9	177.8	179.3	0	123.4
756	Q	28.9	Very low	26.8	Very low	135 Å²	135	133.5 Å²	133.5	63%	0.631	71%	0.71	S	S	*	*			cis	-166.8	145	-18.8	-138	169.8	-28.5	0	0	112.2
757	Q	27.8	Very low	26.6	Very low	144 Å²	144	136.8 Å²	136.8	67%	0.673	72%	0.716	S	S	*	*			trans	61.5	123.9	158	-76.3	151.3	-42.4	0	0	120.9
758	Q	28.9	Very low	26.4	Very low	153 Å²	153	131.9 Å²	131.9	72%	0.715	71%	0.713	S	S	*	*			cis	87.8	142.4	39.6	-76.9	-178.2	-48.7	0	0	114.3
759	Q	30.3	Very low	26.1	Very low	136 Å²	136	131.9 Å²	131.9	64%	0.636	72%	0.721	S	S	*	*			cis	-166.3	169.2	-13.8	-128.8	174.4	-20	0	0	110.7
760	K	29.7	Very low	26	Very low	166 Å²	166	133.6 Å²	133.6	72%	0.722	73%	0.725	S	S	*	*			trans	24.3	155.4	138	-77.9	-174.5	172.9	-177	0	121.1
761	Q	25.9	Very low	25.8	Very low	135 Å²	135	131.7 Å²	131.7	63%	0.631	72%	0.723	S	S	*	*			cis	170.5	149.6	-16.7	-134.8	179.5	-38.6	0	0	105.4
762	H	24.6	Very low	25.9	Very low	159 Å²	159	132.2 Å²	132.2	74%	0.736	72%	0.718	S	S	*	*			trans	62.2	113.8	158.1	-71.7	-67	0	0	0	123.4
763	A	23.2	Very low	25.7	Very low	82 Å²	82	133.7 Å²	133.7	68%	0.678	72%	0.719	S	S	*	*				78.8	115.4	112.4	0	0	0	0	0	123.4
764	V	22.8	Very low	25.9	Very low	132 Å²	132	134.8 Å²	134.8	80%	0.8	72%	0.721	S	S	*	*				86.6	134.7	126.1	173.9	0	0	0	0	121.2
765	L	22.3	Very low	26.5	Very low	150 Å²	150	134.6 Å²	134.6	79%	0.785	72%	0.722	S	S	*	*			trans	85.5	115.5	156.5	-91.3	163.8	0	0	0	123.1
766	S	20.8	Very low	26.4	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	72%	0.722	S	S	*	*			trans	70.5	153.7	145	79.4	0	0	0	0	118.2
767	V	23.3	Very low	26.4	Very low	132 Å²	132	133.1 Å²	133.1	80%	0.8	73%	0.725	S	S	*	*			cis	-145.4	177.9	6.3	104.1	0	0	0	0	110.3
768	C	21.6	Very low	26.4	Very low	115 Å²	115	136.5 Å²	136.5	78%	0.777	73%	0.732	S	S	*	*			trans	-49.6	171	173	-39	0	0	0	0	114.3
769	S	23.8	Very low	26.3	Very low	104 Å²	104	134.4 Å²	134.4	73%	0.727	73%	0.73	S	S	*	*			cis	-165.1	-177.4	11.7	71.2	0	0	0	0	107.9
770	Q	25.8	Very low	26.1	Very low	149 Å²	149	135.7 Å²	135.7	70%	0.696	74%	0.735	S	S	*	*			cis	-165.4	150.2	-2.2	-147.4	-169.2	115	0	0	108.7
771	N	26	Very low	26	Very low	136 Å²	136	133.6 Å²	133.6	73%	0.727	73%	0.731	S	S	*	*				-177	115.2	129.9	-104.6	-33.2	0	0	0	115.4
772	K	27.2	Very low	26	Very low	159 Å²	159	134.4 Å²	134.4	69%	0.691	73%	0.734	S	S	*	*				59.5	94.4	127.5	-75	-176.3	179	178.6	0	123
773	T	25.5	Very low	26	Very low	112 Å²	112	131.4 Å²	131.4	69%	0.687	73%	0.727	S	S	*	*				64.9	110.1	108.4	53.4	0	0	0	0	122.6
774	V	30.5	Very low	26.1	Very low	132 Å²	132	136.1 Å²	136.1	80%	0.8	73%	0.733	S	S	*	*				70.4	145.8	106.7	149.3	0	0	0	0	119.5
775	P	38.9	Very low	26.3	Very low	111 Å²	111	136.2 Å²	136.2	72%	0.721	73%	0.734	S	S	*	*			cis	-147.1	-167.4	-20.6	43.2	-22.6	0	0	0	117.1
776	Q	27.9	Very low	26.7	Very low	168 Å²	168	136.7 Å²	136.7	79%	0.785	73%	0.732	S	S	*	*			trans	-67.2	-173.7	171.1	-51.3	163.6	-43.5	0	0	116.7
777	T	27.6	Very low	27.1	Very low	114 Å²	114	138.8 Å²	138.8	70%	0.699	74%	0.74	S	S	*	*			trans	106.4	145.2	146.3	72.5	0	0	0	0	116.8
778	R	27.4	Very low	27.5	Very low	215 Å²	215	138.5 Å²	138.5	81%	0.811	73%	0.734	S	S	*	*			cis	-167.1	164.8	-7.7	-122	179	174.3	176.1	-2	111.4
779	T	27.6	Very low	28.1	Very low	109 Å²	109	139.1 Å²	139.1	67%	0.669	73%	0.73	S	S	*	*			trans	64.9	160	149	52.5	0	0	0	0	119.3
780	H	26	Very low	28.6	Very low	162 Å²	162	141.7 Å²	141.7	75%	0.75	74%	0.735	S	S	*	*			cis	-144.4	151.8	17.8	-116.5	-75.3	0	0	0	114.9
781	I	27.1	Very low	29.1	Very low	122 Å²	122	146 Å²	146	63%	0.626	76%	0.761	S	S	*	*			trans	-37.5	140.6	163.6	-34.5	170.1	0	0	0	117.3
782	H	25.7	Very low	29.3	Very low	153 Å²	153	146.5 Å²	146.5	71%	0.708	76%	0.763	S	S	*	*				165.1	111.5	116.1	-101.6	-77.6	0	0	0	119
783	T	26	Very low	29.4	Very low	96 Å²	96	145.8 Å²	145.8	59%	0.589	77%	0.767	S	S	*	*				48.2	132	128.1	55.8	0	0	0	0	126.6
784	F	25.6	Very low	29.6	Very low	181 Å²	181	147.7 Å²	147.7	79%	0.794	77%	0.771	S	S	*	*			trans	60.1	139.8	137.4	-81.6	-100	0	0	0	119.7
785	T	26.4	Very low	29.5	Very low	134 Å²	134	148.6 Å²	148.6	82%	0.822	77%	0.769	S	S	*	*				-159.3	168	53.4	35.1	0	0	0	0	114.3
786	Q	31	Very low	29	Very low	159 Å²	159	150.9 Å²	150.9	74%	0.743	77%	0.772	S	S	*	*			trans	-76.4	162.9	167.5	-57	157.8	-79.2	0	0	112.5
787	T	28.2	Very low	29	Very low	151 Å²	151	149.8 Å²	149.8	93%	0.926	77%	0.772	S	S	*	*				-160.5	158.1	128.6	13.4	0	0	0	0	112.8
788	N	31.4	Very low	29.1	Very low	126 Å²	126	152.4 Å²	152.4	67%	0.674	78%	0.777	S	S	*	*			trans	-100.5	161.6	-170.9	-92.7	34.4	0	0	0	113.8
789	D	33.6	Very low	29.3	Very low	128 Å²	128	147.5 Å²	147.5	68%	0.684	77%	0.774	S	S	*	*			trans	56.7	143	135.9	-60.4	-34.1	0	0	0	124.4
790	L	35.8	Very low	29.4	Very low	158 Å²	158	150.8 Å²	150.8	83%	0.827	78%	0.783	S	S	*	*			trans	72.3	104.8	147.3	-72.9	156.8	0	0	0	120.1
791	L	36.1	Very low	29.7	Very low	239 Å²	239	149.7 Å²	149.7	100%	1.251	79%	0.786	S	S	*	*				-156.1	0	92.1	-126.9	155.1	0	0	0	111.9

Retrieved 791 of 791 residues in 700 ms (Link to these results)

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