A0A3Q0KSV9_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KSV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 571 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	41.7	Very low	39.2	Very low	246 Å²	246	151.9 Å²	151.9	100%	1.212	83%	0.828	S	S	*	*				0	126.8	0	-168.2	173.5	-78	0	0	106.5
2	Y	34.1	Very low	39.4	Very low	209 Å²	209	151.3 Å²	151.3	82%	0.82	82%	0.823	S	S	*	*			trans	-89	136.2	-168.8	-86.4	-99.8	0	0	0	112.7
3	I	39.4	Very low	39.1	Very low	170 Å²	170	151.3 Å²	151.3	87%	0.872	82%	0.821	S	S	*	*			trans	-145.9	113.5	136.3	-53.5	-177.3	0	0	0	108.1
4	P	42	Very low	38.9	Very low	96 Å²	96	148.9 Å²	148.9	62%	0.623	82%	0.816	S	S	*	*			trans	-104.6	166.5	166.6	38	-30.3	0	0	0	111.7
5	L	44.3	Very low	38.8	Very low	170 Å²	170	146 Å²	146	89%	0.89	81%	0.808	S	S	*	*			trans	-131	131.8	164	-84.9	170.9	0	0	0	111.3
6	T	39.4	Very low	38.4	Very low	123 Å²	123	145.3 Å²	145.3	76%	0.755	81%	0.809	S	S	*	*			trans	-86.1	179.7	174.2	59.2	0	0	0	0	109.9
7	T	38.4	Very low	38.3	Very low	112 Å²	112	148 Å²	148	69%	0.687	81%	0.814	S	S	*	*			cis	-161.6	130.8	7.8	0.6	0	0	0	0	104
8	D	37	Very low	38	Very low	132 Å²	132	148.5 Å²	148.5	71%	0.706	82%	0.815	S	S	*	*				68.2	108.7	76.1	-168.8	21.5	0	0	0	115.1
9	V	41.3	Very low	38.1	Very low	142 Å²	142	148.7 Å²	148.7	86%	0.861	81%	0.813	S	S	*	*			trans	-152	127.4	159.5	-176.1	0	0	0	0	108.2
10	M	32.2	Very low	37.8	Very low	168 Å²	168	148.8 Å²	148.8	83%	0.828	81%	0.813	S	S	*	*			trans	-91.7	156.6	176.8	-70.2	-175.8	169.7	0	0	113.8
11	A	41.3	Very low	37.8	Very low	103 Å²	103	149 Å²	149	85%	0.851	81%	0.808	S	S	*	*			trans	-151.1	145.7	155.2	0	0	0	0	0	110.7
12	D	42.3	Very low	37.3	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	78%	0.782	S	S	*	*			trans	-91.3	152.6	-157.4	-79.8	-64.3	0	0	0	118.4
13	L	35.4	Very low	37.3	Very low	152 Å²	152	139.7 Å²	139.7	80%	0.796	78%	0.777	S	S	*	*			trans	64.2	167.5	146	-69.1	164.1	0	0	0	119.5
14	P	35.3	Very low	36.9	Very low	117 Å²	117	137.8 Å²	137.8	76%	0.76	77%	0.768	S	S	*	*			cis	-121.6	-179.6	-13.6	26.2	-3.7	0	0	0	113.4
15	P	37.6	Very low	36.4	Very low	106 Å²	106	143.3 Å²	143.3	69%	0.688	78%	0.778	S	S	*	*			trans	-94.8	169.7	-176.5	37	-36.7	0	0	0	116.5
16	T	32.6	Very low	35.7	Very low	134 Å²	134	140.9 Å²	140.9	82%	0.822	77%	0.765	S	S	*	*			trans	63.5	109.3	164.3	43.1	0	0	0	0	119.8
17	Q	36.8	Very low	35.2	Very low	192 Å²	192	140 Å²	140	90%	0.897	76%	0.764	S	S	*	*				-161	157.2	125.1	-115.1	173.9	-9.9	0	0	111.5
18	D	33.5	Very low	34.8	Very low	157 Å²	157	142.4 Å²	142.4	84%	0.84	77%	0.767	S	S	*	*			trans	-78.8	146.3	-172.3	-46	-92	0	0	0	113.2
19	I	39.8	Very low	35	Very low	152 Å²	152	142.6 Å²	142.6	78%	0.779	77%	0.773	S	S	*	*			trans	-131.5	116.3	160.5	-64.3	-177.9	0	0	0	108	E21	I19-E21 HydrophobicContact CG2-CB 4.38Å; I19-E21 HydrophobicContact CG2-CG 3.94Å
20	D	31.6	Very low	35.4	Very low	151 Å²	151	139.4 Å²	139.4	81%	0.807	75%	0.754	S	S	*	*			trans	-100.8	89.8	178.3	-168.3	17.2	0	0	0	108.4
21	E	37	Very low	36.4	Very low	153 Å²	153	135.9 Å²	135.9	72%	0.715	74%	0.738	S	S	*	*			trans	-121	84.7	175.9	-80.3	-162.9	169.7	0	0	111.6	I19 H23	I19-E21 HydrophobicContact CG2-CB 4.38Å; I19-E21 HydrophobicContact CG2-CG 3.94Å; E21-H23 PolarHBondContact O-N 3.26Å
22	T	32.5	Very low	37.3	Very low	107 Å²	107	134.5 Å²	134.5	66%	0.656	72%	0.723	S	S	*	*			trans	-53.7	118.2	169.5	51.5	0	0	0	0	112
23	H	32.8	Very low	38.3	Very low	153 Å²	153	131.7 Å²	131.7	71%	0.708	71%	0.714	S	S	*	*			trans	-105.3	76.7	160.6	-87.6	69.8	0	0	0	109.6	E21 Y25	E21-H23 PolarHBondContact O-N 3.26Å; H23-Y25 VanDerWaalsContact C-N 3.34Å; H23-Y25 PolarHBondContact O-N 2.92Å
24	D	31.2	Very low	40.4	Very low	129 Å²	129	129 Å²	129	69%	0.69	70%	0.7	S	S	*	*			trans	-66.5	89.1	173.8	-103.3	-22.2	0	0	0	110.4	I26	D24-I26 HydrophobicContact CB-CD1 4.29Å; D24-I26 HydrophobicContact CB-CG1 4.12Å; D24-I26 PolarHBondContact O-N 2.85Å
25	Y	31.3	Very low	42.7	Very low	213 Å²	213	124.3 Å²	124.3	84%	0.835	67%	0.668	S	S	*	*			trans	-72.4	67.8	163.6	-94.6	-85.2	0	0	0	109.9	H23 S27	H23-Y25 VanDerWaalsContact C-N 3.34Å; H23-Y25 PolarHBondContact O-N 2.92Å; Y25-S27 VanDerWaalsContact C-N 3.28Å; Y25-S27 PolarHBondContact O-N 2.91Å
26	I	30.1	Very low	45.1	Very low	118 Å²	118	121.3 Å²	121.3	61%	0.605	64%	0.643	S	S	*	*			trans	-69.2	91.9	166.7	-60.2	169.8	0	0	0	107.1	D24 Q28	D24-I26 HydrophobicContact CB-CD1 4.29Å; D24-I26 HydrophobicContact CB-CG1 4.12Å; D24-I26 PolarHBondContact O-N 2.85Å; I26-Q28 HydrophobicContact CG2-CG 3.85Å; I26-Q28 PolarHBondContact O-N 2.85Å
27	S	28.6	Very low	47.8	Very low	105 Å²	105	114.9 Å²	114.9	73%	0.734	60%	0.604	S	S	*	*			trans	-58.7	92.2	156.1	-69.2	0	0	0	0	107.6	Y25 T29	Y25-S27 VanDerWaalsContact C-N 3.28Å; Y25-S27 PolarHBondContact O-N 2.91Å; S27-T29 PolarHBondContact O-N 2.84Å
28	Q	31	Very low	50.5	Low	163 Å²	163	108 Å²	108	76%	0.762	57%	0.569	S	S	*	*			trans	-63.1	101	176.7	-72.9	-171.9	-7.3	0	0	108.5	I26 V30	I26-Q28 HydrophobicContact CG2-CG 3.85Å; I26-Q28 PolarHBondContact O-N 2.85Å; Q28-V30 PolarHBondContact O-N 2.88Å
29	T	41.7	Very low	53.4	Low	135 Å²	135	100.5 Å²	100.5	83%	0.828	53%	0.529	S	S	*	.			trans	-66.7	88	169	52.5	0	0	0	0	107.9	S27 D31	S27-T29 PolarHBondContact O-N 2.84Å; T29-D31 PolarHBondContact O-N 3.23Å
30	V	48.3	Very low	55.8	Low	75 Å²	75	93.3 Å²	93.3	46%	0.455	49%	0.492	S	S	.	.			trans	-54.1	125.3	169.2	179.3	0	0	0	0	107.1	Q28 S32 I52	Q28-V30 PolarHBondContact O-N 2.88Å; V30-S32 PolarHBondContact O-N 2.98Å; V30-I52 HydrophobicContact CG1-CD1 4.04Å
31	D	53.9	Low	58.8	Low	94 Å²	94	86.6 Å²	86.6	50%	0.503	46%	0.457	S	S	.	.			trans	-60.6	127.3	179.9	179.6	5.4	0	0	0	109.3	T29 S33 I34	T29-D31 PolarHBondContact O-N 3.23Å; D31-S33 PolarHBondContact O-N 3.22Å; D31-S33 PolarHBondContact OD1-N 2.59Å; D31-S33 PolarHBondContact OD1-OG 3Å; D31-S33 WeakPolarHBondContact OD2-CB 3.35Å; D31-S33 PolarHBondContact OD2-OG 3.02Å; D31-I34 HydrophobicContact CB-CD1 4.24Å; D31-I34 HydrophobicContact CB-CG1 4.23Å; D31-I34 PolarHBondContact O-N 3.22Å
32	S	60.8	Low	61.3	Low	75 Å²	75	80.2 Å²	80.2	52%	0.524	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.5	177.3	-57.8	0	0	0	0	112.9	V30	V30-S32 PolarHBondContact O-N 2.98Å
33	S	62.1	Low	63.8	Low	85 Å²	85	77.4 Å²	77.4	59%	0.594	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-26.1	172.2	75.9	0	0	0	0	114.3	D31	D31-S33 PolarHBondContact O-N 3.22Å; D31-S33 PolarHBondContact OD1-N 2.59Å; D31-S33 PolarHBondContact OD1-OG 3Å; D31-S33 WeakPolarHBondContact OD2-CB 3.35Å; D31-S33 PolarHBondContact OD2-OG 3.02Å
34	I	80	Confident	66.3	Low	95 Å²	95	74.6 Å²	74.6	49%	0.487	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-22.6	-172.5	-42.6	176.2	0	0	0	111.7	D31 W36 I52	D31-I34 HydrophobicContact CB-CD1 4.24Å; D31-I34 HydrophobicContact CB-CG1 4.23Å; D31-I34 PolarHBondContact O-N 3.22Å; I34-W36 PolarHBondContact O-N 2.96Å; I34-I52 HydrophobicContact CG2-CG2 3.96Å
35	I	83.8	Confident	69	Low	19 Å²	19	72.7 Å²	72.7	10%	0.097	39%	0.39	C	S	.	.			trans	-76.3	103.9	-178.3	-54.8	170.7	0	0	0	108.8	G37 D50 I52 S146	I35-G37 VanDerWaalsContact CG2-O 3.28Å; I35-G37 WeakPolarHBondContact CG2-O 3.3Å; I35-D50 HydrophobicContact CD1-CB 4.19Å; I35-D50 HydrophobicContact CG1-CB 4.36Å; I35-D50 HydrophobicContact CG2-CB 3.96Å; I35-D50 WeakPolarHBondContact CG2-OD1 3.28Å; I35-I52 HydrophobicContact CG1-CD1 4.49Å; I35-I52 HydrophobicContact CG1-CG1 4.09Å; I35-S146 WeakPolarHBondContact O-CB 3.47Å; I35-S146 PolarHBondContact O-OG 3.45Å
36	W	87.8	Confident	71.9	Confident	42 Å²	42	62.9 Å²	62.9	16%	0.159	35%	0.351	C	S	.	.			trans	-78.9	-22.5	-178.9	57.4	-103.6	0	0	0	113.2	I34 L51 I52 N53 I89 L91 V100 F143 S146	I34-W36 PolarHBondContact O-N 2.96Å; W36-L51 VanDerWaalsContact CD1-O 3.31Å; W36-L51 HydrophobicContact CD2-CB 4.05Å; W36-L51 HydrophobicContact CE3-CB 4.18Å; W36-L51 HydrophobicContact CH2-CB 3.8Å; W36-L51 HydrophobicContact CH2-CD1 3.63Å; W36-L51 HydrophobicContact CH2-CG 4.33Å; W36-L51 HydrophobicContact CZ2-CB 3.64Å; W36-L51 HydrophobicContact CZ2-CD1 4.31Å; W36-L51 HydrophobicContact CZ3-CB 4.05Å; W36-L51 HydrophobicContact CZ3-CD1 3.75Å; W36-L51 PolarHBondContact N-O 3.31Å; W36-I52 PolarHBondContact NE1-O 2.91Å; W36-N53 VanDerWaalsContact CZ2-O 3.29Å; W36-N53 WeakPolarHBondContact CZ2-O 3.35Å; W36-N53 PolarHBondContact NE1-O 3Å; W36-N53 VanDerWaalsContact NE1-O 3.1Å; W36-I89 HydrophobicContact CH2-CG2 4.07Å; W36-L91 HydrophobicContact CD2-CD1 4.19Å; W36-L91 HydrophobicContact CD2-CD2 4.14Å; W36-L91 HydrophobicContact CE3-CD1 4.08Å; W36-L91 HydrophobicContact CG-CD2 4.05Å; W36-L91 HydrophobicContact CH2-CB 4.42Å; W36-L91 HydrophobicContact CZ2-CB 4.07Å; W36-L91 HydrophobicContact CZ3-CD1 4.33Å; W36-V100 HydrophobicContact CE3-CG2 4.07Å; W36-V100 HydrophobicContact CH2-CG1 4.12Å; W36-V100 HydrophobicContact CH2-CG2 4.45Å; W36-V100 HydrophobicContact CZ3-CB 4.42Å; W36-V100 HydrophobicContact CZ3-CG1 3.85Å; W36-V100 HydrophobicContact CZ3-CG2 3.6Å; W36-F143 HydrophobicContact CZ3-CE2 4.05Å; W36-F143 HydrophobicContact CZ3-CZ 4.17Å; W36-S146 PolarHBondContact O-N 2.81Å; W36-S146 PolarHBondContact O-OG 3.28Å
37	G	89.7	Confident	74.9	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	174.6	170.5	0	0	0	0	0	113	I35 L51 S144	I35-G37 VanDerWaalsContact CG2-O 3.28Å; I35-G37 WeakPolarHBondContact CG2-O 3.3Å; G37-L51 WeakPolarHBondContact O-CA 3.2Å; G37-L51 VanDerWaalsContact O-CB 3.27Å; G37-L51 WeakPolarHBondContact O-CB 3.37Å; G37-L51 PolarHBondContact O-N 3.23Å; G37-S144 CarbonylContact C-O 3.55Å; G37-S144 WeakPolarHBondContact CA-O 3.43Å
38	R	92.1	Very high	77.9	Confident	46 Å²	46	56.7 Å²	56.7	17%	0.174	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.3	-177.3	-178.2	175.8	-75.5	-157.3	-12.8	110.2	L40 S48 I49 D50 S144	R38-L40 VanDerWaalsContact CD-CD2 3.46Å; R38-L40 HydrophobicContact CG-CD2 3.98Å; R38-L40 HydrophobicContact CG-CG 4.09Å; R38-S48 WeakPolarHBondContact CD-OG 3.22Å; R38-S48 VanDerWaalsContact CG-OG 3.3Å; R38-S48 WeakPolarHBondContact CG-OG 3.29Å; R38-I49 WeakPolarHBondContact CA-O 3.27Å; R38-D50 IonicContact CZ-OD1 3.23Å; R38-D50 VanDerWaalsContact CZ-OD1 3.23Å; R38-D50 IonicContact CZ-OD2 3.74Å; R38-D50 IonicContact NE-OD1 2.78Å; R38-D50 PolarHBondContact NE-OD1 2.94Å; R38-D50 IonicContact NE-OD2 3.47Å; R38-D50 VanDerWaalsContact NH2-CG 3.29Å; R38-D50 IonicContact NH2-OD1 2.94Å; R38-D50 PolarHBondContact NH2-OD1 3.17Å; R38-D50 IonicContact NH2-OD2 2.84Å; R38-D50 PolarHBondContact NH2-OD2 2.78Å; R38-S144 PolarHBondContact N-O 3.28Å; R38-S144 PolarHBondContact O-N 2.99Å
39	L	94.5	Very high	80.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.5	161.6	-63.8	179.5	0	0	0	108.5	S48 I49 L51 F58 I89 I131 F141 F143	L39-S48 VanDerWaalsContact O-CA 3.26Å; L39-S48 WeakPolarHBondContact O-CA 3.29Å; L39-S48 WeakPolarHBondContact O-CB 3.49Å; L39-S48 PolarHBondContact O-OG 3.01Å; L39-I49 HydrophobicContact CB-CB 4.24Å; L39-I49 HydrophobicContact CD1-CD1 4.24Å; L39-I49 PolarHBondContact N-O 2.99Å; L39-I49 PolarHBondContact O-N 2.99Å; L39-L51 HydrophobicContact CG-CD1 4.32Å; L39-F58 HydrophobicContact CD1-CE1 3.47Å; L39-F58 VanDerWaalsContact CD1-CE1 3.47Å; L39-F58 HydrophobicContact CD1-CE2 4.44Å; L39-F58 HydrophobicContact CD1-CZ 3.39Å; L39-I89 HydrophobicContact CD1-CD1 4.01Å; L39-I89 HydrophobicContact CD2-CD1 3.96Å; L39-I89 HydrophobicContact CG-CD1 4.42Å; L39-I131 HydrophobicContact CD2-CD1 3.95Å; L39-F141 HydrophobicContact CB-CB 4.11Å; L39-F141 HydrophobicContact CB-CD1 3.89Å; L39-F141 HydrophobicContact CB-CE1 4.48Å; L39-F141 HydrophobicContact CB-CG 3.98Å; L39-F141 HydrophobicContact CD1-CD2 4.06Å; L39-F141 HydrophobicContact CD1-CE2 4.38Å; L39-F141 HydrophobicContact CD1-CG 4.19Å; L39-F141 HydrophobicContact CD2-CB 4.19Å; L39-F143 HydrophobicContact CD2-CB 4.08Å; L39-F143 HydrophobicContact CD2-CD2 4.14Å
40	L	91.9	Very high	83.2	Confident	1 Å²	1	46 Å²	46	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.8	177.5	-66.6	161.4	0	0	0	108.8	R38 F141 I142 T162 F179	R38-L40 VanDerWaalsContact CD-CD2 3.46Å; R38-L40 HydrophobicContact CG-CD2 3.98Å; R38-L40 HydrophobicContact CG-CG 4.09Å; L40-F141 CarbonylContact O-C 3.55Å; L40-F141 VanDerWaalsContact O-CA 3.25Å; L40-F141 WeakPolarHBondContact O-CA 3.41Å; L40-I142 HydrophobicContact CB-CG2 3.82Å; L40-I142 PolarHBondContact N-O 3.45Å; L40-I142 PolarHBondContact O-N 3.03Å; L40-T162 HydrophobicContact CD1-CG2 3.75Å; L40-F179 HydrophobicContact CB-CD1 3.89Å; L40-F179 HydrophobicContact CB-CD2 4.17Å; L40-F179 HydrophobicContact CB-CE1 3.78Å; L40-F179 HydrophobicContact CB-CE2 4.08Å; L40-F179 HydrophobicContact CB-CG 4.06Å; L40-F179 HydrophobicContact CB-CZ 3.88Å; L40-F179 HydrophobicContact CD1-CB 4.19Å; L40-F179 HydrophobicContact CD1-CD2 3.57Å; L40-F179 HydrophobicContact CD1-CE2 4.01Å; L40-F179 HydrophobicContact CD1-CG 3.85Å; L40-F179 HydrophobicContact CD2-CB 3.93Å; L40-F179 HydrophobicContact CD2-CD1 4.21Å; L40-F179 HydrophobicContact CD2-CG 3.99Å; L40-F179 HydrophobicContact CG-CD1 4.43Å; L40-F179 HydrophobicContact CG-CD2 4.3Å; L40-F179 HydrophobicContact CG-CG 4.18Å
41	P	92.9	Very high	85.3	Confident	11 Å²	11	42.4 Å²	42.4	7%	0.071	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.5	-172.1	30.6	-34.9	0	0	0	111.9	F46 F179 C184	P41-F46 HydrophobicContact CB-CB 3.94Å; P41-F46 WeakPolarHBondContact CB-O 3.48Å; P41-F46 WeakPolarHBondContact CG-O 3.46Å; P41-F179 WeakPolarHBondContact O-CE1 3.44Å; P41-C184 HydrophobicContact CG-CB 4.45Å
42	L	90.1	Very high	87.1	Confident	19 Å²	19	41 Å²	41	10%	0.099	23%	0.23	C	C	.	.	S	Bend	trans	-86.9	-14.4	176	-72	173.4	0	0	0	113.2	E130 K139 C140 F141 I142 F179 K186	L42-E130 HydrophobicContact CD1-CB 4.17Å; L42-E130 HydrophobicContact CD1-CG 4.03Å; L42-K139 HydrophobicContact CB-CB 4.1Å; L42-K139 HydrophobicContact CD1-CB 3.82Å; L42-K139 HydrophobicContact CD1-CD 4.18Å; L42-C140 PolarHBondContact N-O 3.43Å; L42-F141 VanDerWaalsContact CD1-C 3.47Å; L42-F141 VanDerWaalsContact CD1-O 3.25Å; L42-F141 WeakPolarHBondContact CD1-O 3.46Å; L42-I142 HydrophobicContact CD1-CB 4.19Å; L42-I142 HydrophobicContact CD2-CB 4.06Å; L42-I142 HydrophobicContact CD2-CG2 3.99Å; L42-I142 HydrophobicContact CG-CB 4.18Å; L42-I142 HydrophobicContact CG-CG2 4.35Å; L42-F179 HydrophobicContact CD2-CZ 4.35Å; L42-K186 PolarHBondContact O-NZ 2.68Å
43	D	86.2	Confident	88.6	Confident	47 Å²	47	42.2 Å²	42.2	25%	0.251	23%	0.231	S	C	.	.	S	Bend	trans	-136.8	132.4	175.9	176.6	-60.4	0	0	0	107.6	R45 F46	D43-R45 PolarHBondContact O-N 3.28Å; D43-R45 VanDerWaalsContact O-N 3.07Å; D43-R45 WeakPolarHBondContact OD1-CB 3.21Å; D43-R45 WeakPolarHBondContact OD1-CG 3.47Å; D43-R45 IonicContact OD1-CZ 3.69Å; D43-R45 PolarHBondContact OD1-N 3.38Å; D43-R45 IonicContact OD1-NE 2.69Å; D43-R45 PolarHBondContact OD1-NE 3.3Å; D43-R45 IonicContact OD1-NH2 2.68Å; D43-R45 IonicContact OD2-CZ 3.68Å; D43-R45 IonicContact OD2-NE 2.59Å; D43-R45 PolarHBondContact OD2-NE 3.31Å; D43-R45 IonicContact OD2-NH2 2.74Å; D43-R45 PolarHBondContact OD2-NH2 2.89Å; D43-F46 HydrophobicContact CB-CD2 3.99Å; D43-F46 HydrophobicContact CB-CE2 4.22Å; D43-F46 PolarHBondContact O-N 3.17Å
44	S	84	Confident	90	Very high	95 Å²	95	43.1 Å²	43.1	66%	0.664	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-5.7	-169.3	52.4	0	0	0	0	115	F46	S44-F46 PolarHBondContact O-N 3.13Å
45	R	89.4	Confident	90.7	Very high	89 Å²	89	41 Å²	41	34%	0.336	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.4	170.2	-60	171.1	-75.9	-176.5	-7.6	112.9	D43 D71 M72 F73 D74	D43-R45 PolarHBondContact O-N 3.28Å; D43-R45 VanDerWaalsContact O-N 3.07Å; D43-R45 WeakPolarHBondContact OD1-CB 3.21Å; D43-R45 WeakPolarHBondContact OD1-CG 3.47Å; D43-R45 IonicContact OD1-CZ 3.69Å; D43-R45 PolarHBondContact OD1-N 3.38Å; D43-R45 IonicContact OD1-NE 2.69Å; D43-R45 PolarHBondContact OD1-NE 3.3Å; D43-R45 IonicContact OD1-NH2 2.68Å; D43-R45 IonicContact OD2-CZ 3.68Å; D43-R45 IonicContact OD2-NE 2.59Å; D43-R45 PolarHBondContact OD2-NE 3.31Å; D43-R45 IonicContact OD2-NH2 2.74Å; D43-R45 PolarHBondContact OD2-NH2 2.89Å; R45-D71 WeakPolarHBondContact CD-O 3.44Å; R45-M72 WeakPolarHBondContact O-CG 2.87Å; R45-F73 VanDerWaalsContact NH1-C 3.33Å; R45-D74 IonicContact CZ-OD1 2.75Å; R45-D74 VanDerWaalsContact CZ-OD1 3.25Å; R45-D74 IonicContact NH1-OD1 3.21Å; R45-D74 PolarHBondContact NH1-OD1 2.88Å; R45-D74 IonicContact NH2-OD1 2.77Å; R45-D74 PolarHBondContact NH2-OD1 2.88Å
46	F	91.4	Very high	91.4	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.026	22%	0.222	C	C	.	.	S	Bend	trans	-96.6	135.6	173.9	-61.9	-97	0	0	0	109.9	P41 D43 S44 F68 M72 F73 C140 F141	P41-F46 HydrophobicContact CB-CB 3.94Å; P41-F46 WeakPolarHBondContact CB-O 3.48Å; P41-F46 WeakPolarHBondContact CG-O 3.46Å; D43-F46 HydrophobicContact CB-CD2 3.99Å; D43-F46 HydrophobicContact CB-CE2 4.22Å; D43-F46 PolarHBondContact O-N 3.17Å; S44-F46 PolarHBondContact O-N 3.13Å; F46-F68 HydrophobicContact CD1-CD1 4.38Å; F46-F68 HydrophobicContact CD1-CE1 4.09Å; F46-F68 AromaticContact CE1-CD1 3.86Å; F46-F68 HydrophobicContact CE1-CD1 3.86Å; F46-F68 AromaticContact CE1-CE1 3.7Å; F46-F68 HydrophobicContact CE1-CE1 3.7Å; F46-M72 HydrophobicContact CD1-CB 4.3Å; F46-M72 HydrophobicContact CD1-CG 4.33Å; F46-M72 HydrophobicContact CD1-SD 4.28Å; F46-M72 HydrophobicContact CE1-CB 3.87Å; F46-M72 HydrophobicContact CE1-CG 4.36Å; F46-M72 HydrophobicContact CE1-SD 4.39Å; F46-M72 HydrophobicContact CE2-CB 4.38Å; F46-M72 VanDerWaalsContact CE2-O 3.29Å; F46-M72 WeakPolarHBondContact CE2-O 3.34Å; F46-M72 HydrophobicContact CZ-CB 3.92Å; F46-M72 VanDerWaalsContact CZ-O 3.22Å; F46-M72 WeakPolarHBondContact CZ-O 3.29Å; F46-F73 HydrophobicContact CE1-CZ 4.22Å; F46-F73 HydrophobicContact CZ-CE1 4.14Å; F46-F73 HydrophobicContact CZ-CZ 4.17Å; F46-C140 HydrophobicContact CD1-CB 4.08Å; F46-C140 HydrophobicContact CE1-CB 3.83Å; F46-C140 HydrophobicContact CZ-CB 4.09Å; F46-C140 VanDerWaalsContact CZ-SG 3.57Å; F46-F141 HydrophobicContact CB-CE1 3.87Å; F46-F141 HydrophobicContact CB-CZ 4.31Å; F46-F141 HydrophobicContact CD1-CE1 4.31Å; F46-F141 HydrophobicContact CD1-CE2 4.46Å; F46-F141 AromaticContact CD1-CZ 3.93Å; F46-F141 HydrophobicContact CD1-CZ 3.93Å; F46-F141 HydrophobicContact CG-CE1 4.44Å
47	P	92.4	Very high	91.8	Very high	59 Å²	59	40.4 Å²	40.4	38%	0.383	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-75.8	158	171	33.2	-35.6	0	0	0	110.8	F66 F141	P47-F66 HydrophobicContact CG-CE2 3.63Å; P47-F66 HydrophobicContact CG-CZ 3.77Å; P47-F141 WeakPolarHBondContact O-CE1 3.42Å
48	S	91.2	Very high	92.2	Very high	34 Å²	34	40.4 Å²	40.4	24%	0.238	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-72.2	150.2	162.9	-166.2	0	0	0	0	110.8	R38 L39 C184	R38-S48 WeakPolarHBondContact CD-OG 3.22Å; R38-S48 VanDerWaalsContact CG-OG 3.3Å; R38-S48 WeakPolarHBondContact CG-OG 3.29Å; L39-S48 VanDerWaalsContact O-CA 3.26Å; L39-S48 WeakPolarHBondContact O-CA 3.29Å; L39-S48 WeakPolarHBondContact O-CB 3.49Å; L39-S48 PolarHBondContact O-OG 3.01Å; S48-C184 WeakPolarHBondContact CB-SG 3.38Å
49	I	93.2	Very high	92.4	Very high	21 Å²	21	38.2 Å²	38.2	11%	0.108	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	116.3	-176	-52.9	165.6	0	0	0	108.7	R38 L39 L51 F58 F66 F141	R38-I49 WeakPolarHBondContact CA-O 3.27Å; L39-I49 HydrophobicContact CB-CB 4.24Å; L39-I49 HydrophobicContact CD1-CD1 4.24Å; L39-I49 PolarHBondContact N-O 2.99Å; L39-I49 PolarHBondContact O-N 2.99Å; I49-L51 HydrophobicContact CG2-CD2 4.14Å; I49-F58 HydrophobicContact CD1-CE1 3.81Å; I49-F66 HydrophobicContact CD1-CB 4.15Å; I49-F66 HydrophobicContact CD1-CD1 3.97Å; I49-F66 HydrophobicContact CD1-CD2 3.37Å; I49-F66 HydrophobicContact CD1-CE1 4.2Å; I49-F66 HydrophobicContact CD1-CE2 3.64Å; I49-F66 HydrophobicContact CD1-CG 3.53Å; I49-F66 HydrophobicContact CD1-CZ 4.03Å; I49-F66 HydrophobicContact CG1-CD2 4.02Å; I49-F66 HydrophobicContact CG1-CE2 4.11Å; I49-F141 HydrophobicContact CD1-CE1 3.97Å; I49-F141 HydrophobicContact CD1-CE2 4.38Å; I49-F141 HydrophobicContact CD1-CZ 3.67Å
50	D	92.5	Very high	92.5	Very high	53 Å²	53	41.4 Å²	41.4	28%	0.283	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	130.9	172.3	-78.2	-41.2	0	0	0	111.3	I35 R38 Y56	I35-D50 HydrophobicContact CD1-CB 4.19Å; I35-D50 HydrophobicContact CG1-CB 4.36Å; I35-D50 HydrophobicContact CG2-CB 3.96Å; I35-D50 WeakPolarHBondContact CG2-OD1 3.28Å; R38-D50 IonicContact CZ-OD1 3.23Å; R38-D50 VanDerWaalsContact CZ-OD1 3.23Å; R38-D50 IonicContact CZ-OD2 3.74Å; R38-D50 IonicContact NE-OD1 2.78Å; R38-D50 PolarHBondContact NE-OD1 2.94Å; R38-D50 IonicContact NE-OD2 3.47Å; R38-D50 VanDerWaalsContact NH2-CG 3.29Å; R38-D50 IonicContact NH2-OD1 2.94Å; R38-D50 PolarHBondContact NH2-OD1 3.17Å; R38-D50 IonicContact NH2-OD2 2.84Å; R38-D50 PolarHBondContact NH2-OD2 2.78Å; D50-Y56 PolarHBondContact O-OH 2.94Å
51	L	92.5	Very high	92.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.5	-179	-50.2	-179.7	0	0	0	108.8	W36 G37 L39 I49 Y56 I89 F143	W36-L51 VanDerWaalsContact CD1-O 3.31Å; W36-L51 HydrophobicContact CD2-CB 4.05Å; W36-L51 HydrophobicContact CE3-CB 4.18Å; W36-L51 HydrophobicContact CH2-CB 3.8Å; W36-L51 HydrophobicContact CH2-CD1 3.63Å; W36-L51 HydrophobicContact CH2-CG 4.33Å; W36-L51 HydrophobicContact CZ2-CB 3.64Å; W36-L51 HydrophobicContact CZ2-CD1 4.31Å; W36-L51 HydrophobicContact CZ3-CB 4.05Å; W36-L51 HydrophobicContact CZ3-CD1 3.75Å; W36-L51 PolarHBondContact N-O 3.31Å; G37-L51 WeakPolarHBondContact O-CA 3.2Å; G37-L51 VanDerWaalsContact O-CB 3.27Å; G37-L51 WeakPolarHBondContact O-CB 3.37Å; G37-L51 PolarHBondContact O-N 3.23Å; L39-L51 HydrophobicContact CG-CD1 4.32Å; I49-L51 HydrophobicContact CG2-CD2 4.14Å; L51-Y56 HydrophobicContact CB-CE2 4.03Å; L51-Y56 HydrophobicContact CD2-CD1 4.18Å; L51-Y56 HydrophobicContact CD2-CD2 3.77Å; L51-Y56 HydrophobicContact CD2-CE1 4.24Å; L51-Y56 HydrophobicContact CD2-CE2 3.84Å; L51-Y56 HydrophobicContact CD2-CG 3.95Å; L51-I89 HydrophobicContact CD1-CG2 4.5Å; L51-F143 HydrophobicContact CD1-CD2 4.18Å; L51-F143 HydrophobicContact CD1-CE2 3.94Å
52	I	91.7	Very high	92.6	Very high	63 Å²	63	46.7 Å²	46.7	32%	0.323	26%	0.255	S	S	.	.			trans	-118.9	-44.5	-174	-63.2	165.2	0	0	0	109.3	V30 I34 I35 W36 Y56	V30-I52 HydrophobicContact CG1-CD1 4.04Å; I34-I52 HydrophobicContact CG2-CG2 3.96Å; I35-I52 HydrophobicContact CG1-CD1 4.49Å; I35-I52 HydrophobicContact CG1-CG1 4.09Å; W36-I52 PolarHBondContact NE1-O 2.91Å; I52-Y56 PolarHBondContact N-OH 2.68Å
53	N	91.6	Very high	92.7	Very high	102 Å²	102	53.2 Å²	53.2	55%	0.545	29%	0.29	S	S	.	.	S	Bend	trans	-80.7	155.7	177.5	-56.7	-78.5	0	0	0	111.8	W36 S55 Y56	W36-N53 VanDerWaalsContact CZ2-O 3.29Å; W36-N53 WeakPolarHBondContact CZ2-O 3.35Å; W36-N53 PolarHBondContact NE1-O 3Å; W36-N53 VanDerWaalsContact NE1-O 3.1Å; N53-S55 PolarHBondContact O-N 3.47Å; N53-Y56 HydrophobicContact CB-CE2 3.87Å; N53-Y56 PolarHBondContact N-OH 3.03Å; N53-Y56 PolarHBondContact ND2-OH 3.25Å; N53-Y56 WeakPolarHBondContact O-CE2 3.36Å
54	D	91.9	Very high	93.1	Very high	103 Å²	103	51.9 Å²	51.9	55%	0.551	28%	0.284	S	S	*	.	S	Bend	trans	-67.3	-4.1	179.5	-55.3	-33.3	0	0	0	114.8	V90 L91	D54-V90 CarbonylContact O-C 3.6Å; D54-V90 VanDerWaalsContact O-CA 3.29Å; D54-V90 WeakPolarHBondContact O-CA 3.48Å; D54-V90 WeakPolarHBondContact O-CG1 3.44Å; D54-L91 HydrophobicContact CB-CB 4.33Å; D54-L91 PolarHBondContact O-N 3.32Å
55	S	94.5	Very high	93.7	Very high	51 Å²	51	50.7 Å²	50.7	36%	0.357	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	116.8	-164.9	162.5	0	0	0	0	112.9	N53 K88 I89	N53-S55 PolarHBondContact O-N 3.47Å; S55-K88 WeakPolarHBondContact OG-CE 3.47Å; S55-K88 PolarHBondContact OG-NZ 3.27Å; S55-I89 WeakPolarHBondContact CA-O 3.38Å
56	Y	97.1	Very high	94	Very high	22 Å²	22	47.9 Å²	47.9	9%	0.086	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.7	176.4	-72	-101.9	0	0	0	111.7	D50 L51 I52 N53 K88 I89	D50-Y56 PolarHBondContact O-OH 2.94Å; L51-Y56 HydrophobicContact CB-CE2 4.03Å; L51-Y56 HydrophobicContact CD2-CD1 4.18Å; L51-Y56 HydrophobicContact CD2-CD2 3.77Å; L51-Y56 HydrophobicContact CD2-CE1 4.24Å; L51-Y56 HydrophobicContact CD2-CE2 3.84Å; L51-Y56 HydrophobicContact CD2-CG 3.95Å; I52-Y56 PolarHBondContact N-OH 2.68Å; N53-Y56 HydrophobicContact CB-CE2 3.87Å; N53-Y56 PolarHBondContact N-OH 3.03Å; N53-Y56 PolarHBondContact ND2-OH 3.25Å; N53-Y56 WeakPolarHBondContact O-CE2 3.36Å; Y56-K88 CarbonylContact O-C 3.57Å; Y56-K88 VanDerWaalsContact O-CA 3.31Å; Y56-K88 WeakPolarHBondContact O-CA 3.15Å; Y56-K88 VanDerWaalsContact O-CG 3.29Å; Y56-K88 WeakPolarHBondContact O-CG 3.32Å; Y56-I89 PolarHBondContact N-O 2.84Å; Y56-I89 PolarHBondContact O-N 2.87Å
57	T	97.5	Very high	94.2	Very high	27 Å²	27	52.7 Å²	52.7	17%	0.166	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.6	173.2	47.1	0	0	0	0	111.8	C64 S65 F66 L85 K88	T57-C64 CarbonylContact O-C 3.51Å; T57-C64 WeakPolarHBondContact OG1-CA 3.45Å; T57-S65 PolarHBondContact N-OG 3.07Å; T57-S65 PolarHBondContact O-N 2.82Å; T57-S65 PolarHBondContact OG1-N 3.06Å; T57-S65 PolarHBondContact OG1-OG 2.83Å; T57-F66 PolarHBondContact O-N 3.32Å; T57-L85 HydrophobicContact CG2-CD1 3.85Å; T57-K88 HydrophobicContact CG2-CB 4.41Å; T57-K88 HydrophobicContact CG2-CD 4.4Å; T57-K88 HydrophobicContact CG2-CG 3.94Å
58	F	97.6	Very high	94.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.5	-174.6	-64.6	-101.6	0	0	0	110.4	L39 I49 F66 F68 H86 F87 I89 F141	L39-F58 HydrophobicContact CD1-CE1 3.47Å; L39-F58 VanDerWaalsContact CD1-CE1 3.47Å; L39-F58 HydrophobicContact CD1-CE2 4.44Å; L39-F58 HydrophobicContact CD1-CZ 3.39Å; I49-F58 HydrophobicContact CD1-CE1 3.81Å; F58-F66 WeakPolarHBondContact CA-O 3.07Å; F58-F66 HydrophobicContact CD1-CB 3.64Å; F58-F66 AromaticContact CD1-CD1 3.87Å; F58-F66 HydrophobicContact CD1-CD1 3.87Å; F58-F66 HydrophobicContact CD1-CG 4.09Å; F58-F66 HydrophobicContact CE1-CB 3.69Å; F58-F66 HydrophobicContact CE1-CD1 4.27Å; F58-F66 HydrophobicContact CE1-CG 4.16Å; F58-F66 HydrophobicContact CG-CB 4.41Å; F58-F68 HydrophobicContact CB-CE2 3.99Å; F58-F68 HydrophobicContact CB-CZ 4.36Å; F58-F68 HydrophobicContact CD1-CZ 4.5Å; F58-H86 WeakPolarHBondContact O-CA 3.4Å; F58-H86 WeakPolarHBondContact O-CB 3.49Å; F58-H86 PolarHBondContact O-N 2.8Å; F58-F87 HydrophobicContact CB-CD1 3.86Å; F58-F87 HydrophobicContact CB-CD2 3.92Å; F58-F87 HydrophobicContact CB-CE1 3.6Å; F58-F87 HydrophobicContact CB-CE2 3.67Å; F58-F87 HydrophobicContact CB-CG 4.01Å; F58-F87 HydrophobicContact CB-CZ 3.5Å; F58-F87 HydrophobicContact CD1-CE1 4.43Å; F58-F87 AromaticContact CD1-CE2 3.84Å; F58-F87 HydrophobicContact CD1-CE2 3.84Å; F58-F87 AromaticContact CD1-CZ 3.61Å; F58-F87 HydrophobicContact CD1-CZ 3.61Å; F58-F87 AromaticContact CD2-CD2 3.6Å; F58-F87 HydrophobicContact CD2-CD2 3.6Å; F58-F87 AromaticContact CD2-CE2 3.22Å; F58-F87 HydrophobicContact CD2-CE2 3.22Å; F58-F87 HydrophobicContact CD2-CG 4.48Å; F58-F87 AromaticContact CD2-CZ 3.85Å; F58-F87 HydrophobicContact CD2-CZ 3.85Å; F58-F87 HydrophobicContact CE1-CE2 4.31Å; F58-F87 HydrophobicContact CE1-CZ 4.3Å; F58-F87 HydrophobicContact CE2-CD2 4.35Å; F58-F87 AromaticContact CE2-CE2 3.75Å; F58-F87 HydrophobicContact CE2-CE2 3.75Å; F58-F87 HydrophobicContact CE2-CZ 4.49Å; F58-F87 AromaticContact CG-CD2 3.89Å; F58-F87 HydrophobicContact CG-CD2 3.89Å; F58-F87 HydrophobicContact CG-CE1 4.04Å; F58-F87 AromaticContact CG-CE2 3.29Å; F58-F87 HydrophobicContact CG-CE2 3.29Å; F58-F87 HydrophobicContact CG-CG 4.48Å; F58-F87 AromaticContact CG-CZ 3.37Å; F58-F87 HydrophobicContact CG-CZ 3.37Å; F58-F87 HydrophobicContact CZ-CE2 4.28Å; F58-F87 PolarHBondContact N-O 3Å; F58-F87 PolarHBondContact O-N 3.1Å; F58-F87 VanDerWaalsContact O-N 3.13Å; F58-I89 HydrophobicContact CE2-CB 4.28Å; F58-I89 HydrophobicContact CE2-CD1 3.9Å; F58-I89 HydrophobicContact CE2-CG1 3.94Å; F58-I89 HydrophobicContact CZ-CD1 4.17Å; F58-F141 HydrophobicContact CD1-CE2 4.45Å; F58-F141 HydrophobicContact CE1-CE2 4.45Å
59	G	97	Very high	94.5	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.6	-176.1	-177.4	0	0	0	0	0	113.5	F66 R67 F68 K84	G59-F66 PolarHBondContact N-O 3.31Å; G59-R67 CarbonylContact O-C 3.55Å; G59-R67 WeakPolarHBondContact O-CA 3.46Å; G59-F68 PolarHBondContact O-N 3.18Å; G59-K84 CarbonylContact C-O 3.53Å; G59-K84 VanDerWaalsContact CA-O 3.32Å; G59-K84 WeakPolarHBondContact CA-O 3.46Å
60	R	95.5	Very high	94.5	Very high	66 Å²	66	53.4 Å²	53.4	25%	0.249	28%	0.284	C	S	.	.	S	Bend	trans	-85.5	-13.3	175.8	-68	-166.3	-69	120.9	-5.8	114.7	R67 F68 F79 T80 V82 S83 K84	R60-R67 PolarHBondContact O-NE 2.77Å; R60-R67 PolarHBondContact O-NH2 3.43Å; R60-F68 HydrophobicContact CG-CB 4.29Å; R60-F79 HydrophobicContact CB-CZ 4.48Å; R60-F79 VanDerWaalsContact CD-O 3.25Å; R60-F79 WeakPolarHBondContact CD-O 3.35Å; R60-F79 HydrophobicContact CG-CD2 4.15Å; R60-F79 HydrophobicContact CG-CE2 3.54Å; R60-F79 HydrophobicContact CG-CZ 3.87Å; R60-F79 PolarHBondContact NE-O 2.83Å; R60-T80 PolarHBondContact NH2-O 3.19Å; R60-V82 HydrophobicContact CG-CB 3.89Å; R60-V82 HydrophobicContact CG-CG1 3.85Å; R60-V82 VanDerWaalsContact CZ-O 3.23Å; R60-V82 PolarHBondContact NE-O 2.84Å; R60-V82 PolarHBondContact NH2-O 3.17Å; R60-S83 PolarHBondContact N-O 3Å; R60-K84 PolarHBondContact N-O 3.31Å; R60-K84 VanDerWaalsContact N-O 3.07Å
61	G	94.7	Very high	94.5	Very high	7 Å²	7	57 Å²	57	7%	0.072	30%	0.303	C	S	.	.	S	Bend	trans	-73.6	147.1	-179.7	0	0	0	0	0	111.6	D63 C64 K84	G61-D63 PolarHBondContact O-N 3.35Å; G61-C64 WeakPolarHBondContact O-CB 3.31Å; G61-C64 PolarHBondContact O-N 3.46Å; G61-K84 WeakPolarHBondContact CA-O 3.05Å; G61-K84 PolarHBondContact N-O 2.65Å
62	D	92.6	Very high	94.5	Very high	116 Å²	116	57.8 Å²	57.8	62%	0.62	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.5	-179.4	-52	-102.7	0	0	0	112.1	C64 R67	D62-C64 PolarHBondContact O-N 3.49Å; D62-R67 IonicContact OD1-CZ 3.05Å; D62-R67 IonicContact OD1-NH1 2.68Å; D62-R67 PolarHBondContact OD1-NH1 3.13Å; D62-R67 IonicContact OD1-NH2 2.78Å; D62-R67 PolarHBondContact OD1-NH2 2.89Å; D62-R67 IonicContact OD2-CZ 3.87Å; D62-R67 IonicContact OD2-NH2 3.03Å; D62-R67 PolarHBondContact OD2-NH2 3Å
63	D	93.3	Very high	94.6	Very high	157 Å²	157	55.3 Å²	55.3	84%	0.84	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	9.8	179	-36.7	-76.1	0	0	0	114.6	G61	G61-D63 PolarHBondContact O-N 3.35Å
64	C	94.6	Very high	94.4	Very high	18 Å²	18	55.5 Å²	55.5	12%	0.122	30%	0.295	C	S	.	.	S	Bend	trans	-90.9	135.2	179.8	-66.5	0	0	0	0	111.7	T57 G61 D62 F66 K84	T57-C64 CarbonylContact O-C 3.51Å; T57-C64 WeakPolarHBondContact OG1-CA 3.45Å; G61-C64 WeakPolarHBondContact O-CB 3.31Å; G61-C64 PolarHBondContact O-N 3.46Å; D62-C64 PolarHBondContact O-N 3.49Å; C64-F66 VanDerWaalsContact CB-O 3.3Å; C64-F66 WeakPolarHBondContact CB-O 3.47Å; C64-F66 PolarHBondContact O-N 3.47Å; C64-F66 VanDerWaalsContact O-N 3.13Å; C64-K84 PolarHBondContact SG-O 3.42Å
65	S	95.6	Very high	94.3	Very high	71 Å²	71	52.7 Å²	52.7	50%	0.497	28%	0.284	S	S	.	.	S	Bend	trans	-53.7	-31.5	172.7	-46.7	0	0	0	0	112.7	T57	T57-S65 PolarHBondContact N-OG 3.07Å; T57-S65 PolarHBondContact O-N 2.82Å; T57-S65 PolarHBondContact OG1-N 3.06Å; T57-S65 PolarHBondContact OG1-OG 2.83Å
66	F	95.8	Very high	94.2	Very high	29 Å²	29	53.7 Å²	53.7	13%	0.127	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.8	164	-176.6	-97.2	0	0	0	110.9	P47 I49 T57 F58 G59 C64 F68 M72 F141	P47-F66 HydrophobicContact CG-CE2 3.63Å; P47-F66 HydrophobicContact CG-CZ 3.77Å; I49-F66 HydrophobicContact CD1-CB 4.15Å; I49-F66 HydrophobicContact CD1-CD1 3.97Å; I49-F66 HydrophobicContact CD1-CD2 3.37Å; I49-F66 HydrophobicContact CD1-CE1 4.2Å; I49-F66 HydrophobicContact CD1-CE2 3.64Å; I49-F66 HydrophobicContact CD1-CG 3.53Å; I49-F66 HydrophobicContact CD1-CZ 4.03Å; I49-F66 HydrophobicContact CG1-CD2 4.02Å; I49-F66 HydrophobicContact CG1-CE2 4.11Å; T57-F66 PolarHBondContact O-N 3.32Å; F58-F66 WeakPolarHBondContact CA-O 3.07Å; F58-F66 HydrophobicContact CD1-CB 3.64Å; F58-F66 AromaticContact CD1-CD1 3.87Å; F58-F66 HydrophobicContact CD1-CD1 3.87Å; F58-F66 HydrophobicContact CD1-CG 4.09Å; F58-F66 HydrophobicContact CE1-CB 3.69Å; F58-F66 HydrophobicContact CE1-CD1 4.27Å; F58-F66 HydrophobicContact CE1-CG 4.16Å; F58-F66 HydrophobicContact CG-CB 4.41Å; G59-F66 PolarHBondContact N-O 3.31Å; C64-F66 VanDerWaalsContact CB-O 3.3Å; C64-F66 WeakPolarHBondContact CB-O 3.47Å; C64-F66 PolarHBondContact O-N 3.47Å; C64-F66 VanDerWaalsContact O-N 3.13Å; F66-F68 HydrophobicContact CD1-CD1 4.25Å; F66-F68 HydrophobicContact CD1-CE1 4.14Å; F66-F68 AromaticContact CE1-CD1 3.76Å; F66-F68 HydrophobicContact CE1-CD1 3.76Å; F66-F68 AromaticContact CE1-CE1 3.8Å; F66-F68 HydrophobicContact CE1-CE1 3.8Å; F66-M72 HydrophobicContact CE1-CE 4.2Å; F66-M72 HydrophobicContact CE1-SD 4.23Å; F66-M72 HydrophobicContact CE2-CE 4.47Å; F66-M72 HydrophobicContact CZ-CE 3.57Å; F66-M72 HydrophobicContact CZ-SD 4.19Å; F66-F141 HydrophobicContact CE1-CZ 4.05Å; F66-F141 HydrophobicContact CZ-CZ 4.41Å
67	R	96.3	Very high	93.8	Very high	107 Å²	107	56.6 Å²	56.6	40%	0.404	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	118.8	179.2	-170.3	-164.7	-170.7	146.3	21.9	111.3	G59 R60 D62 V69	G59-R67 CarbonylContact O-C 3.55Å; G59-R67 WeakPolarHBondContact O-CA 3.46Å; R60-R67 PolarHBondContact O-NE 2.77Å; R60-R67 PolarHBondContact O-NH2 3.43Å; D62-R67 IonicContact OD1-CZ 3.05Å; D62-R67 IonicContact OD1-NH1 2.68Å; D62-R67 PolarHBondContact OD1-NH1 3.13Å; D62-R67 IonicContact OD1-NH2 2.78Å; D62-R67 PolarHBondContact OD1-NH2 2.89Å; D62-R67 IonicContact OD2-CZ 3.87Å; D62-R67 IonicContact OD2-NH2 3.03Å; D62-R67 PolarHBondContact OD2-NH2 3Å; R67-V69 PolarHBondContact O-N 2.97Å
68	F	95.3	Very high	93.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.311	C	S	.	.			trans	-68.2	125.7	163.9	-67	-58.7	0	0	0	110.4	F46 F58 G59 R60 F66 M72 F73 F79 V82 F87 V133 F141	F46-F68 HydrophobicContact CD1-CD1 4.38Å; F46-F68 HydrophobicContact CD1-CE1 4.09Å; F46-F68 AromaticContact CE1-CD1 3.86Å; F46-F68 HydrophobicContact CE1-CD1 3.86Å; F46-F68 AromaticContact CE1-CE1 3.7Å; F46-F68 HydrophobicContact CE1-CE1 3.7Å; F58-F68 HydrophobicContact CB-CE2 3.99Å; F58-F68 HydrophobicContact CB-CZ 4.36Å; F58-F68 HydrophobicContact CD1-CZ 4.5Å; G59-F68 PolarHBondContact O-N 3.18Å; R60-F68 HydrophobicContact CG-CB 4.29Å; F66-F68 HydrophobicContact CD1-CD1 4.25Å; F66-F68 HydrophobicContact CD1-CE1 4.14Å; F66-F68 AromaticContact CE1-CD1 3.76Å; F66-F68 HydrophobicContact CE1-CD1 3.76Å; F66-F68 AromaticContact CE1-CE1 3.8Å; F66-F68 HydrophobicContact CE1-CE1 3.8Å; F68-M72 HydrophobicContact CD1-SD 4.08Å; F68-F73 HydrophobicContact CB-CE2 3.97Å; F68-F73 HydrophobicContact CB-CZ 4.11Å; F68-F73 HydrophobicContact CD1-CE2 4.4Å; F68-F73 AromaticContact CD1-CZ 4Å; F68-F73 HydrophobicContact CD1-CZ 4Å; F68-F73 HydrophobicContact CG-CE2 4.44Å; F68-F73 HydrophobicContact CG-CZ 4.12Å; F68-F79 HydrophobicContact CB-CE2 4.48Å; F68-F79 WeakPolarHBondContact O-CE2 3.39Å; F68-V82 HydrophobicContact CB-CG1 4.5Å; F68-V82 HydrophobicContact CD2-CG1 3.73Å; F68-V82 HydrophobicContact CE2-CG1 4.37Å; F68-V82 HydrophobicContact CG-CG1 4.38Å; F68-F87 HydrophobicContact CE2-CE1 4.03Å; F68-F87 AromaticContact CZ-CE1 3.9Å; F68-F87 HydrophobicContact CZ-CE1 3.9Å; F68-F87 HydrophobicContact CZ-CZ 4.33Å; F68-V133 HydrophobicContact CE2-CG1 4.15Å; F68-V133 HydrophobicContact CZ-CG1 4.06Å; F68-F141 AromaticContact CE1-CE2 3.94Å; F68-F141 HydrophobicContact CE1-CE2 3.94Å; F68-F141 HydrophobicContact CE1-CZ 4.35Å; F68-F141 HydrophobicContact CZ-CE2 4.11Å
69	V	94.2	Very high	93.3	Very high	57 Å²	57	57.8 Å²	57.8	35%	0.345	32%	0.317	S	S	.	.			trans	-108.1	168.3	174.1	-60.4	0	0	0	0	111.2	R67 D71 M72 F73 F79	R67-V69 PolarHBondContact O-N 2.97Å; V69-D71 VanDerWaalsContact C-N 3.32Å; V69-D71 PolarHBondContact O-N 2.85Å; V69-M72 HydrophobicContact CG2-CE 3.83Å; V69-M72 HydrophobicContact CG2-CG 4.02Å; V69-M72 HydrophobicContact CG2-SD 3.88Å; V69-M72 PolarHBondContact N-SD 3.16Å; V69-M72 PolarHBondContact O-N 2.7Å; V69-F73 WeakPolarHBondContact O-CD2 3.3Å; V69-F73 VanDerWaalsContact O-CE2 3.28Å; V69-F73 WeakPolarHBondContact O-CE2 3.49Å; V69-F79 WeakPolarHBondContact O-CE2 3.26Å
70	L	92.7	Very high	93.1	Very high	72 Å²	72	61.4 Å²	61.4	38%	0.377	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-58.9	-41.6	-173.6	175.5	59.2	0	0	0	113	M72 F73 F79	L70-M72 PolarHBondContact O-N 3.01Å; L70-M72 VanDerWaalsContact O-N 3.14Å; L70-F73 PolarHBondContact O-N 2.88Å; L70-F73 VanDerWaalsContact O-N 3.11Å; L70-F79 HydrophobicContact CB-CD1 4.17Å; L70-F79 HydrophobicContact CB-CE1 4.2Å; L70-F79 HydrophobicContact CB-CG 4.49Å; L70-F79 HydrophobicContact CD1-CB 3.78Å; L70-F79 HydrophobicContact CD1-CD1 3.81Å; L70-F79 HydrophobicContact CD1-CG 3.96Å
71	D	93	Very high	93	Very high	128 Å²	128	60 Å²	60	68%	0.684	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-72.7	-9.6	-168.8	-47.2	-32	0	0	0	113.3	R45 V69 F73	R45-D71 WeakPolarHBondContact CD-O 3.44Å; V69-D71 VanDerWaalsContact C-N 3.32Å; V69-D71 PolarHBondContact O-N 2.85Å; D71-F73 PolarHBondContact O-N 3.13Å
72	M	92.6	Very high	93	Very high	18 Å²	18	59.8 Å²	59.8	9%	0.089	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-75.4	0.6	170.8	-66.6	166.3	176.7	0	0	113.4	R45 F46 F66 F68 V69 L70	R45-M72 WeakPolarHBondContact O-CG 2.87Å; F46-M72 HydrophobicContact CD1-CB 4.3Å; F46-M72 HydrophobicContact CD1-CG 4.33Å; F46-M72 HydrophobicContact CD1-SD 4.28Å; F46-M72 HydrophobicContact CE1-CB 3.87Å; F46-M72 HydrophobicContact CE1-CG 4.36Å; F46-M72 HydrophobicContact CE1-SD 4.39Å; F46-M72 HydrophobicContact CE2-CB 4.38Å; F46-M72 VanDerWaalsContact CE2-O 3.29Å; F46-M72 WeakPolarHBondContact CE2-O 3.34Å; F46-M72 HydrophobicContact CZ-CB 3.92Å; F46-M72 VanDerWaalsContact CZ-O 3.22Å; F46-M72 WeakPolarHBondContact CZ-O 3.29Å; F66-M72 HydrophobicContact CE1-CE 4.2Å; F66-M72 HydrophobicContact CE1-SD 4.23Å; F66-M72 HydrophobicContact CE2-CE 4.47Å; F66-M72 HydrophobicContact CZ-CE 3.57Å; F66-M72 HydrophobicContact CZ-SD 4.19Å; F68-M72 HydrophobicContact CD1-SD 4.08Å; V69-M72 HydrophobicContact CG2-CE 3.83Å; V69-M72 HydrophobicContact CG2-CG 4.02Å; V69-M72 HydrophobicContact CG2-SD 3.88Å; V69-M72 PolarHBondContact N-SD 3.16Å; V69-M72 PolarHBondContact O-N 2.7Å; L70-M72 PolarHBondContact O-N 3.01Å; L70-M72 VanDerWaalsContact O-N 3.14Å
73	F	92.4	Very high	93.2	Very high	11 Å²	11	55 Å²	55	5%	0.048	31%	0.311	C	S	.	.	S	Bend	trans	-136.1	152.8	-169.6	-60.2	-82.6	0	0	0	111.9	R45 F46 F68 V69 L70 D71 S75 Q78 F79 V82 V133 L138	R45-F73 VanDerWaalsContact NH1-C 3.33Å; F46-F73 HydrophobicContact CE1-CZ 4.22Å; F46-F73 HydrophobicContact CZ-CE1 4.14Å; F46-F73 HydrophobicContact CZ-CZ 4.17Å; F68-F73 HydrophobicContact CB-CE2 3.97Å; F68-F73 HydrophobicContact CB-CZ 4.11Å; F68-F73 HydrophobicContact CD1-CE2 4.4Å; F68-F73 AromaticContact CD1-CZ 4Å; F68-F73 HydrophobicContact CD1-CZ 4Å; F68-F73 HydrophobicContact CG-CE2 4.44Å; F68-F73 HydrophobicContact CG-CZ 4.12Å; V69-F73 WeakPolarHBondContact O-CD2 3.3Å; V69-F73 VanDerWaalsContact O-CE2 3.28Å; V69-F73 WeakPolarHBondContact O-CE2 3.49Å; L70-F73 PolarHBondContact O-N 2.88Å; L70-F73 VanDerWaalsContact O-N 3.11Å; D71-F73 PolarHBondContact O-N 3.13Å; F73-S75 PolarHBondContact O-N 2.94Å; F73-Q78 HydrophobicContact CB-CB 4.42Å; F73-Q78 HydrophobicContact CB-CG 4.46Å; F73-Q78 VanDerWaalsContact CB-OE1 3.29Å; F73-Q78 HydrophobicContact CD1-CG 4.21Å; F73-F79 HydrophobicContact CB-CB 4.18Å; F73-F79 HydrophobicContact CD2-CB 4.07Å; F73-F79 AromaticContact CD2-CD2 3.45Å; F73-F79 HydrophobicContact CD2-CD2 3.45Å; F73-F79 VanDerWaalsContact CD2-CD2 3.45Å; F73-F79 HydrophobicContact CD2-CE2 4.29Å; F73-F79 HydrophobicContact CD2-CG 4.2Å; F73-F79 AromaticContact CE2-CD2 3.59Å; F73-F79 HydrophobicContact CE2-CD2 3.59Å; F73-F79 HydrophobicContact CE2-CE2 4.13Å; F73-F79 HydrophobicContact CG-CB 4.18Å; F73-F79 HydrophobicContact CG-CD2 4.32Å; F73-V82 HydrophobicContact CE1-CG2 3.8Å; F73-V82 HydrophobicContact CZ-CG2 3.82Å; F73-V133 HydrophobicContact CE1-CG2 4.03Å; F73-V133 HydrophobicContact CZ-CG2 4.48Å; F73-L138 HydrophobicContact CD1-CD1 4.13Å; F73-L138 HydrophobicContact CD1-CD2 3.88Å; F73-L138 HydrophobicContact CD1-CG 4.45Å; F73-L138 HydrophobicContact CE1-CD1 4.39Å; F73-L138 HydrophobicContact CE1-CD2 3.93Å; F73-L138 HydrophobicContact CE1-CG 4.37Å
74	D	88	Confident	93.3	Very high	106 Å²	106	55.2 Å²	55.2	57%	0.567	31%	0.305	S	S	*	.	S	Bend	trans	-67.2	-19	-177.1	-51.4	-38.6	0	0	0	113	R45 Q78	R45-D74 IonicContact CZ-OD1 2.75Å; R45-D74 VanDerWaalsContact CZ-OD1 3.25Å; R45-D74 IonicContact NH1-OD1 3.21Å; R45-D74 PolarHBondContact NH1-OD1 2.88Å; R45-D74 IonicContact NH2-OD1 2.77Å; R45-D74 PolarHBondContact NH2-OD1 2.88Å; D74-Q78 PolarHBondContact OD2-NE2 3.46Å; D74-Q78 PolarHBondContact OD2-OE1 3.33Å
75	S	90.5	Very high	93.4	Very high	44 Å²	44	57.9 Å²	57.9	31%	0.308	32%	0.317	S	S	.	.			trans	-165.8	157	-177.5	59.9	0	0	0	0	112.8	F73 S77 Q78 F79	F73-S75 PolarHBondContact O-N 2.94Å; S75-S77 VanDerWaalsContact CB-OG 3.29Å; S75-S77 WeakPolarHBondContact CB-OG 3.33Å; S75-S77 PolarHBondContact O-N 2.81Å; S75-S77 PolarHBondContact OG-OG 2.86Å; S75-Q78 WeakPolarHBondContact O-CB 3.27Å; S75-Q78 PolarHBondContact O-N 2.69Å; S75-Q78 WeakPolarHBondContact OG-CB 3.28Å; S75-Q78 PolarHBondContact OG-N 2.89Å; S75-Q78 VanDerWaalsContact OG-N 3.09Å; S75-F79 PolarHBondContact O-N 3.03Å
76	S	91.1	Very high	93.5	Very high	71 Å²	71	54.5 Å²	54.5	50%	0.497	29%	0.294	S	S	.	.	H	α-helix	trans	-58	-33.2	169.4	-176	0	0	0	0	112.8	F79 T80	S76-F79 PolarHBondContact O-N 2.82Å; S76-T80 WeakPolarHBondContact O-CB 3.28Å; S76-T80 VanDerWaalsContact O-CG2 3.3Å; S76-T80 WeakPolarHBondContact O-CG2 3.26Å; S76-T80 PolarHBondContact O-N 2.59Å; S76-T80 PolarHBondContact O-OG1 3.34Å
77	S	90.6	Very high	93.6	Very high	84 Å²	84	53.1 Å²	53.1	59%	0.587	29%	0.287	S	S	*	.	H	α-helix	trans	-61.4	-40.1	170.5	34	0	0	0	0	113.2	S75 T80 T81	S75-S77 VanDerWaalsContact CB-OG 3.29Å; S75-S77 WeakPolarHBondContact CB-OG 3.33Å; S75-S77 PolarHBondContact O-N 2.81Å; S75-S77 PolarHBondContact OG-OG 2.86Å; S77-T80 PolarHBondContact O-OG1 2.77Å; S77-T81 WeakPolarHBondContact O-CG2 3.41Å
78	Q	90.2	Very high	93.6	Very high	19 Å²	19	50.6 Å²	50.6	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-71.6	-48.1	175.9	-171.8	-175.1	75.3	0	0	110.4	F73 D74 S75 T80 T81 L138	F73-Q78 HydrophobicContact CB-CB 4.42Å; F73-Q78 HydrophobicContact CB-CG 4.46Å; F73-Q78 VanDerWaalsContact CB-OE1 3.29Å; F73-Q78 HydrophobicContact CD1-CG 4.21Å; D74-Q78 PolarHBondContact OD2-NE2 3.46Å; D74-Q78 PolarHBondContact OD2-OE1 3.33Å; S75-Q78 WeakPolarHBondContact O-CB 3.27Å; S75-Q78 PolarHBondContact O-N 2.69Å; S75-Q78 WeakPolarHBondContact OG-CB 3.28Å; S75-Q78 PolarHBondContact OG-N 2.89Å; S75-Q78 VanDerWaalsContact OG-N 3.09Å; Q78-T80 PolarHBondContact O-N 3.45Å; Q78-T81 WeakPolarHBondContact O-CB 3.34Å; Q78-T81 PolarHBondContact O-N 2.9Å; Q78-T81 VanDerWaalsContact O-N 3.14Å; Q78-T81 PolarHBondContact O-OG1 3.01Å; Q78-L138 HydrophobicContact CG-CD2 3.57Å
79	F	93	Very high	93.7	Very high	32 Å²	32	50.6 Å²	50.6	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-54.6	-46.5	177.4	178.4	-124.4	0	0	0	112.8	R60 F68 V69 L70 F73 S75 S76 T81 V82	R60-F79 HydrophobicContact CB-CZ 4.48Å; R60-F79 VanDerWaalsContact CD-O 3.25Å; R60-F79 WeakPolarHBondContact CD-O 3.35Å; R60-F79 HydrophobicContact CG-CD2 4.15Å; R60-F79 HydrophobicContact CG-CE2 3.54Å; R60-F79 HydrophobicContact CG-CZ 3.87Å; R60-F79 PolarHBondContact NE-O 2.83Å; F68-F79 HydrophobicContact CB-CE2 4.48Å; F68-F79 WeakPolarHBondContact O-CE2 3.39Å; V69-F79 WeakPolarHBondContact O-CE2 3.26Å; L70-F79 HydrophobicContact CB-CD1 4.17Å; L70-F79 HydrophobicContact CB-CE1 4.2Å; L70-F79 HydrophobicContact CB-CG 4.49Å; L70-F79 HydrophobicContact CD1-CB 3.78Å; L70-F79 HydrophobicContact CD1-CD1 3.81Å; L70-F79 HydrophobicContact CD1-CG 3.96Å; F73-F79 HydrophobicContact CB-CB 4.18Å; F73-F79 HydrophobicContact CD2-CB 4.07Å; F73-F79 AromaticContact CD2-CD2 3.45Å; F73-F79 HydrophobicContact CD2-CD2 3.45Å; F73-F79 VanDerWaalsContact CD2-CD2 3.45Å; F73-F79 HydrophobicContact CD2-CE2 4.29Å; F73-F79 HydrophobicContact CD2-CG 4.2Å; F73-F79 AromaticContact CE2-CD2 3.59Å; F73-F79 HydrophobicContact CE2-CD2 3.59Å; F73-F79 HydrophobicContact CE2-CE2 4.13Å; F73-F79 HydrophobicContact CG-CB 4.18Å; F73-F79 HydrophobicContact CG-CD2 4.32Å; S75-F79 PolarHBondContact O-N 3.03Å; S76-F79 PolarHBondContact O-N 2.82Å; F79-T81 PolarHBondContact O-N 3.02Å; F79-T81 VanDerWaalsContact O-N 3.14Å; F79-V82 WeakPolarHBondContact O-CB 3.35Å; F79-V82 WeakPolarHBondContact O-CG2 3.49Å; F79-V82 PolarHBondContact O-N 3.02Å
80	T	93.1	Very high	93.7	Very high	76 Å²	76	48.6 Å²	48.6	47%	0.466	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-20.9	-178.6	46.9	0	0	0	0	114.1	R60 S76 S77 Q78 V82	R60-T80 PolarHBondContact NH2-O 3.19Å; S76-T80 WeakPolarHBondContact O-CB 3.28Å; S76-T80 VanDerWaalsContact O-CG2 3.3Å; S76-T80 WeakPolarHBondContact O-CG2 3.26Å; S76-T80 PolarHBondContact O-N 2.59Å; S76-T80 PolarHBondContact O-OG1 3.34Å; S77-T80 PolarHBondContact O-OG1 2.77Å; Q78-T80 PolarHBondContact O-N 3.45Å; T80-V82 VanDerWaalsContact C-N 3.29Å; T80-V82 PolarHBondContact O-N 2.78Å
81	T	93.9	Very high	93.7	Very high	38 Å²	38	46.5 Å²	46.5	23%	0.233	26%	0.257	C	S	.	.	H	α-helix	trans	-67	-28.8	172.1	71.1	0	0	0	0	113.3	S77 Q78 F79 N108 S134	S77-T81 WeakPolarHBondContact O-CG2 3.41Å; Q78-T81 WeakPolarHBondContact O-CB 3.34Å; Q78-T81 PolarHBondContact O-N 2.9Å; Q78-T81 VanDerWaalsContact O-N 3.14Å; Q78-T81 PolarHBondContact O-OG1 3.01Å; F79-T81 PolarHBondContact O-N 3.02Å; F79-T81 VanDerWaalsContact O-N 3.14Å; T81-N108 PolarHBondContact O-ND2 3.07Å; T81-S134 VanDerWaalsContact C-OG 3.25Å; T81-S134 WeakPolarHBondContact CB-OG 3.28Å; T81-S134 PolarHBondContact O-OG 3.14Å; T81-S134 WeakPolarHBondContact OG1-CB 3.21Å; T81-S134 PolarHBondContact OG1-OG 3.12Å
82	V	94.2	Very high	93.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	24%	0.235	C	C	.	.	S	Bend	trans	-64.6	139.3	179.8	-175.3	0	0	0	0	108.5	R60 F68 F73 F79 T80 H86 V133 S134	R60-V82 HydrophobicContact CG-CB 3.89Å; R60-V82 HydrophobicContact CG-CG1 3.85Å; R60-V82 VanDerWaalsContact CZ-O 3.23Å; R60-V82 PolarHBondContact NE-O 2.84Å; R60-V82 PolarHBondContact NH2-O 3.17Å; F68-V82 HydrophobicContact CB-CG1 4.5Å; F68-V82 HydrophobicContact CD2-CG1 3.73Å; F68-V82 HydrophobicContact CE2-CG1 4.37Å; F68-V82 HydrophobicContact CG-CG1 4.38Å; F73-V82 HydrophobicContact CE1-CG2 3.8Å; F73-V82 HydrophobicContact CZ-CG2 3.82Å; F79-V82 WeakPolarHBondContact O-CB 3.35Å; F79-V82 WeakPolarHBondContact O-CG2 3.49Å; F79-V82 PolarHBondContact O-N 3.02Å; T80-V82 VanDerWaalsContact C-N 3.29Å; T80-V82 PolarHBondContact O-N 2.78Å; V82-H86 HydrophobicContact CG1-CB 4.27Å; V82-H86 WeakPolarHBondContact CG1-ND1 3.46Å; V82-V133 HydrophobicContact CG2-CG2 3.96Å; V82-S134 PolarHBondContact N-OG 3.4Å
83	S	96.4	Very high	92.7	Very high	15 Å²	15	46.3 Å²	46.3	11%	0.105	26%	0.261	C	S	.	.			trans	-81.4	156.5	-178.2	-60.7	0	0	0	0	111.4	R60 L85 H86 S106 S107	R60-S83 PolarHBondContact N-O 3Å; S83-L85 VanDerWaalsContact C-N 3.27Å; S83-L85 WeakPolarHBondContact CB-O 3.3Å; S83-L85 PolarHBondContact O-N 3.06Å; S83-H86 PolarHBondContact N-ND1 2.66Å; S83-S106 WeakPolarHBondContact OG-CA 3.41Å; S83-S106 WeakPolarHBondContact OG-CB 3.44Å; S83-S107 PolarHBondContact OG-N 3.07Å
84	K	96	Very high	91.2	Very high	163 Å²	163	52.5 Å²	52.5	71%	0.709	29%	0.292	S	S	*	.	S	Bend	trans	-55.4	-46	176.2	-80.8	-164.9	173.7	-165	0	111.1	G59 R60 G61 C64	G59-K84 CarbonylContact C-O 3.53Å; G59-K84 VanDerWaalsContact CA-O 3.32Å; G59-K84 WeakPolarHBondContact CA-O 3.46Å; R60-K84 PolarHBondContact N-O 3.31Å; R60-K84 VanDerWaalsContact N-O 3.07Å; G61-K84 WeakPolarHBondContact CA-O 3.05Å; G61-K84 PolarHBondContact N-O 2.65Å; C64-K84 PolarHBondContact SG-O 3.42Å
85	L	96.8	Very high	89.9	Confident	73 Å²	73	51.3 Å²	51.3	38%	0.382	29%	0.292	S	S	.	.	S	Bend	trans	-117.2	121.6	162	178	57.2	0	0	0	105.9	T57 S83 L105	T57-L85 HydrophobicContact CG2-CD1 3.85Å; S83-L85 VanDerWaalsContact C-N 3.27Å; S83-L85 WeakPolarHBondContact CB-O 3.3Å; S83-L85 PolarHBondContact O-N 3.06Å; L85-L105 HydrophobicContact CD1-CD1 4.1Å; L85-L105 HydrophobicContact CD2-CD1 3.66Å; L85-L105 HydrophobicContact CG-CB 4.2Å; L85-L105 HydrophobicContact CG-CD1 3.69Å
86	H	97.4	Very high	88.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.32	C	S	.	.			trans	-108.5	-52.2	-170.6	-158.7	108.6	0	0	0	111.5	F58 V82 S83 L105 S106 G109 T110 S134	F58-H86 WeakPolarHBondContact O-CA 3.4Å; F58-H86 WeakPolarHBondContact O-CB 3.49Å; F58-H86 PolarHBondContact O-N 2.8Å; V82-H86 HydrophobicContact CG1-CB 4.27Å; V82-H86 WeakPolarHBondContact CG1-ND1 3.46Å; S83-H86 PolarHBondContact N-ND1 2.66Å; H86-L105 CarbonylContact O-C 3.55Å; H86-L105 WeakPolarHBondContact O-CA 3.25Å; H86-L105 PolarHBondContact O-N 3.48Å; H86-S106 VanDerWaalsContact CD2-CB 3.43Å; H86-S106 WeakPolarHBondContact CD2-CB 3.33Å; H86-S106 PolarHBondContact NE2-OG 3.49Å; H86-S106 WeakPolarHBondContact O-CB 3.44Å; H86-S106 PolarHBondContact O-N 3.17Å; H86-G109 PolarHBondContact NE2-O 3.48Å; H86-T110 PolarHBondContact CD2-OG1 2.9Å; H86-T110 VanDerWaalsContact NE2-CA 3.35Å; H86-T110 WeakPolarHBondContact NE2-CA 3.25Å; H86-T110 PolarHBondContact NE2-N 2.91Å; H86-T110 VanDerWaalsContact NE2-N 3.14Å; H86-T110 PolarHBondContact NE2-OG1 3.36Å; H86-T110 PolarHBondContact O-OG1 3.04Å; H86-S134 WeakPolarHBondContact CE1-CA 3.29Å; H86-S134 WeakPolarHBondContact CE1-CB 3.36Å; H86-S134 PolarHBondContact CE1-N 3.37Å; H86-S134 PolarHBondContact CE1-OG 3.41Å; H86-S134 PolarHBondContact NE2-N 3.07Å
87	F	97.7	Very high	87.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	168.5	172.7	64.7	-90.7	0	0	0	112	F58 F68 I89 I102 H103 T110 I131 V133	F58-F87 HydrophobicContact CB-CD1 3.86Å; F58-F87 HydrophobicContact CB-CD2 3.92Å; F58-F87 HydrophobicContact CB-CE1 3.6Å; F58-F87 HydrophobicContact CB-CE2 3.67Å; F58-F87 HydrophobicContact CB-CG 4.01Å; F58-F87 HydrophobicContact CB-CZ 3.5Å; F58-F87 HydrophobicContact CD1-CE1 4.43Å; F58-F87 AromaticContact CD1-CE2 3.84Å; F58-F87 HydrophobicContact CD1-CE2 3.84Å; F58-F87 AromaticContact CD1-CZ 3.61Å; F58-F87 HydrophobicContact CD1-CZ 3.61Å; F58-F87 AromaticContact CD2-CD2 3.6Å; F58-F87 HydrophobicContact CD2-CD2 3.6Å; F58-F87 AromaticContact CD2-CE2 3.22Å; F58-F87 HydrophobicContact CD2-CE2 3.22Å; F58-F87 HydrophobicContact CD2-CG 4.48Å; F58-F87 AromaticContact CD2-CZ 3.85Å; F58-F87 HydrophobicContact CD2-CZ 3.85Å; F58-F87 HydrophobicContact CE1-CE2 4.31Å; F58-F87 HydrophobicContact CE1-CZ 4.3Å; F58-F87 HydrophobicContact CE2-CD2 4.35Å; F58-F87 AromaticContact CE2-CE2 3.75Å; F58-F87 HydrophobicContact CE2-CE2 3.75Å; F58-F87 HydrophobicContact CE2-CZ 4.49Å; F58-F87 AromaticContact CG-CD2 3.89Å; F58-F87 HydrophobicContact CG-CD2 3.89Å; F58-F87 HydrophobicContact CG-CE1 4.04Å; F58-F87 AromaticContact CG-CE2 3.29Å; F58-F87 HydrophobicContact CG-CE2 3.29Å; F58-F87 HydrophobicContact CG-CG 4.48Å; F58-F87 AromaticContact CG-CZ 3.37Å; F58-F87 HydrophobicContact CG-CZ 3.37Å; F58-F87 HydrophobicContact CZ-CE2 4.28Å; F58-F87 PolarHBondContact N-O 3Å; F58-F87 PolarHBondContact O-N 3.1Å; F58-F87 VanDerWaalsContact O-N 3.13Å; F68-F87 HydrophobicContact CE2-CE1 4.03Å; F68-F87 AromaticContact CZ-CE1 3.9Å; F68-F87 HydrophobicContact CZ-CE1 3.9Å; F68-F87 HydrophobicContact CZ-CZ 4.33Å; F87-I89 HydrophobicContact CD2-CG1 4.09Å; F87-I89 HydrophobicContact CE2-CD1 4.01Å; F87-I89 HydrophobicContact CE2-CG1 4.01Å; F87-I102 HydrophobicContact CB-CG1 4.47Å; F87-I102 HydrophobicContact CD2-CD1 3.93Å; F87-I102 HydrophobicContact CD2-CG1 4.18Å; F87-I102 HydrophobicContact CE2-CD1 4.38Å; F87-I102 HydrophobicContact CG-CD1 4.39Å; F87-H103 CarbonylContact C-O 3.5Å; F87-H103 WeakPolarHBondContact CA-O 3.48Å; F87-H103 VanDerWaalsContact CB-O 3.23Å; F87-H103 WeakPolarHBondContact CB-O 3.45Å; F87-T110 HydrophobicContact CB-CG2 4.01Å; F87-T110 HydrophobicContact CD1-CG2 4.18Å; F87-T110 HydrophobicContact CG-CG2 4.22Å; F87-I131 HydrophobicContact CE1-CG2 4.05Å; F87-I131 HydrophobicContact CE2-CD1 4.41Å; F87-I131 HydrophobicContact CE2-CG2 4.38Å; F87-I131 HydrophobicContact CZ-CG2 3.94Å; F87-V133 HydrophobicContact CD1-CG1 4.12Å; F87-V133 HydrophobicContact CE1-CG1 3.72Å
88	K	97.3	Very high	87.3	Confident	54 Å²	54	58.8 Å²	58.8	24%	0.235	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.3	171.6	-168.8	-168.3	-175.1	-149.9	0	109.2	S55 Y56 T57 V90 I102 H103 L105	S55-K88 WeakPolarHBondContact OG-CE 3.47Å; S55-K88 PolarHBondContact OG-NZ 3.27Å; Y56-K88 CarbonylContact O-C 3.57Å; Y56-K88 VanDerWaalsContact O-CA 3.31Å; Y56-K88 WeakPolarHBondContact O-CA 3.15Å; Y56-K88 VanDerWaalsContact O-CG 3.29Å; Y56-K88 WeakPolarHBondContact O-CG 3.32Å; T57-K88 HydrophobicContact CG2-CB 4.41Å; T57-K88 HydrophobicContact CG2-CD 4.4Å; T57-K88 HydrophobicContact CG2-CG 3.94Å; K88-V90 HydrophobicContact CD-CG2 3.53Å; K88-V90 HydrophobicContact CG-CG2 3.87Å; K88-I102 CarbonylContact O-C 3.59Å; K88-I102 WeakPolarHBondContact O-CA 3.45Å; K88-H103 HydrophobicContact CB-CB 4.25Å; K88-H103 PolarHBondContact N-O 3.01Å; K88-H103 PolarHBondContact O-N 3.35Å; K88-L105 HydrophobicContact CB-CD1 3.99Å
89	I	97.1	Very high	87.1	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.4	165.7	-58.1	178.1	0	0	0	107.9	W36 L39 L51 S55 Y56 F58 F87 V100 F101 I102 L125 I131	W36-I89 HydrophobicContact CH2-CG2 4.07Å; L39-I89 HydrophobicContact CD1-CD1 4.01Å; L39-I89 HydrophobicContact CD2-CD1 3.96Å; L39-I89 HydrophobicContact CG-CD1 4.42Å; L51-I89 HydrophobicContact CD1-CG2 4.5Å; S55-I89 WeakPolarHBondContact CA-O 3.38Å; Y56-I89 PolarHBondContact N-O 2.84Å; Y56-I89 PolarHBondContact O-N 2.87Å; F58-I89 HydrophobicContact CE2-CB 4.28Å; F58-I89 HydrophobicContact CE2-CD1 3.9Å; F58-I89 HydrophobicContact CE2-CG1 3.94Å; F58-I89 HydrophobicContact CZ-CD1 4.17Å; F87-I89 HydrophobicContact CD2-CG1 4.09Å; F87-I89 HydrophobicContact CE2-CD1 4.01Å; F87-I89 HydrophobicContact CE2-CG1 4.01Å; I89-V100 HydrophobicContact CG2-CG1 3.6Å; I89-F101 CarbonylContact C-O 3.56Å; I89-F101 WeakPolarHBondContact CA-O 3.39Å; I89-I102 HydrophobicContact CG1-CG1 4.39Å; I89-L125 HydrophobicContact CD1-CD2 3.81Å; I89-L125 HydrophobicContact CG1-CD2 4.19Å; I89-L125 HydrophobicContact CG2-CD2 4.1Å; I89-I131 HydrophobicContact CD1-CD1 4.06Å
90	V	94.5	Very high	87.1	Confident	16 Å²	16	61.3 Å²	61.3	10%	0.097	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	137.4	-177.1	-169.8	0	0	0	0	110.1	D54 K88 E92 V100 F101	D54-V90 CarbonylContact O-C 3.6Å; D54-V90 VanDerWaalsContact O-CA 3.29Å; D54-V90 WeakPolarHBondContact O-CA 3.48Å; D54-V90 WeakPolarHBondContact O-CG1 3.44Å; K88-V90 HydrophobicContact CD-CG2 3.53Å; K88-V90 HydrophobicContact CG-CG2 3.87Å; V90-E92 HydrophobicContact CG1-CG 3.89Å; V90-V100 CarbonylContact O-C 3.4Å; V90-V100 WeakPolarHBondContact O-CA 3.38Å; V90-F101 PolarHBondContact N-O 3.33Å; V90-F101 PolarHBondContact O-N 3.11Å
91	L	91.7	Very high	87.2	Confident	28 Å²	28	59 Å²	59	15%	0.147	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.6	165.4	-166.8	69.3	0	0	0	108.1	W36 D54 P98 V100	W36-L91 HydrophobicContact CD2-CD1 4.19Å; W36-L91 HydrophobicContact CD2-CD2 4.14Å; W36-L91 HydrophobicContact CE3-CD1 4.08Å; W36-L91 HydrophobicContact CG-CD2 4.05Å; W36-L91 HydrophobicContact CH2-CB 4.42Å; W36-L91 HydrophobicContact CZ2-CB 4.07Å; W36-L91 HydrophobicContact CZ3-CD1 4.33Å; D54-L91 HydrophobicContact CB-CB 4.33Å; D54-L91 PolarHBondContact O-N 3.32Å; L91-P98 HydrophobicContact CD1-CB 3.92Å; L91-P98 HydrophobicContact CD1-CG 4.49Å; L91-P98 HydrophobicContact CD2-CB 4.48Å; L91-P98 HydrophobicContact CG-CB 4.1Å; L91-V100 HydrophobicContact CD1-CG2 3.78Å
92	E	88.2	Confident	87.3	Confident	49 Å²	49	57.2 Å²	57.2	23%	0.229	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	104.9	177.6	-67.2	-175.6	-166.3	0	0	110.4	V90 M94 L99 F101 K122	V90-E92 HydrophobicContact CG1-CG 3.89Å; E92-M94 HydrophobicContact CB-CG 4.22Å; E92-M94 PolarHBondContact O-N 3.14Å; E92-L99 PolarHBondContact N-O 3Å; E92-L99 PolarHBondContact O-N 2.76Å; E92-F101 HydrophobicContact CB-CD2 3.85Å; E92-F101 HydrophobicContact CB-CE2 3.91Å; E92-F101 HydrophobicContact CG-CD2 3.85Å; E92-F101 HydrophobicContact CG-CE2 4.29Å; E92-F101 WeakPolarHBondContact OE2-CE2 3.33Å; E92-K122 IonicContact OE1-NZ 3.78Å; E92-K122 PolarHBondContact OE1-NZ 3.18Å; E92-K122 IonicContact OE2-NZ 3.79Å; E92-K122 PolarHBondContact OE2-NZ 3Å
93	S	76.9	Confident	87.5	Confident	92 Å²	92	59.1 Å²	59.1	64%	0.643	32%	0.318	S	S	*	.			trans	-76.5	83.5	175.7	-57.2	0	0	0	0	111.2
94	M	60.5	Low	87.5	Confident	141 Å²	141	58.5 Å²	58.5	70%	0.695	31%	0.313	S	S	*	.			trans	-93.8	-7.5	-177.7	-68.2	-62.9	-61.1	0	0	114.3	E92	E92-M94 HydrophobicContact CB-CG 4.22Å; E92-M94 PolarHBondContact O-N 3.14Å
95	S	61.6	Low	87.5	Confident	82 Å²	82	53.7 Å²	53.7	57%	0.573	30%	0.295	S	S	*	.	S	Bend	trans	-165.5	-165.3	173	64.4	0	0	0	0	109	N97	S95-N97 PolarHBondContact O-N 2.99Å; S95-N97 VanDerWaalsContact O-N 3.07Å; S95-N97 PolarHBondContact OG-N 3.14Å
96	D	67.3	Low	87.5	Confident	167 Å²	167	50.2 Å²	50.2	89%	0.893	28%	0.277	S	S	*	.	S	Bend	trans	-56.3	-20	174	-56.5	-57	0	0	0	113.9
97	N	68.9	Low	87.3	Confident	119 Å²	119	54.1 Å²	54.1	64%	0.636	30%	0.304	S	S	*	.	S	Bend	trans	-105.6	117	171.8	-67	-30	0	0	0	109.9	S95	S95-N97 PolarHBondContact O-N 2.99Å; S95-N97 VanDerWaalsContact O-N 3.07Å; S95-N97 PolarHBondContact OG-N 3.14Å
98	P	80	Confident	87.2	Confident	69 Å²	69	57.8 Å²	57.8	45%	0.448	32%	0.323	S	S	.	.			trans	-72.4	145	173.3	31.9	-34.9	0	0	0	110.8	L91	L91-P98 HydrophobicContact CD1-CB 3.92Å; L91-P98 HydrophobicContact CD1-CG 4.49Å; L91-P98 HydrophobicContact CD2-CB 4.48Å; L91-P98 HydrophobicContact CG-CB 4.1Å
99	L	86.8	Confident	87.1	Confident	88 Å²	88	55.2 Å²	55.2	46%	0.461	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.3	-178.6	-67.7	176.8	0	0	0	111.4	E92 F101	E92-L99 PolarHBondContact N-O 3Å; E92-L99 PolarHBondContact O-N 2.76Å; L99-F101 HydrophobicContact CB-CD2 4.37Å; L99-F101 HydrophobicContact CB-CE2 3.72Å; L99-F101 HydrophobicContact CB-CZ 4.37Å; L99-F101 HydrophobicContact CD1-CZ 4.48Å
100	V	92.7	Very high	87.1	Confident	17 Å²	17	55.2 Å²	55.2	10%	0.103	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.5	176.1	-169.4	0	0	0	0	109.7	W36 I89 V90 L91 P124 L125 F143	W36-V100 HydrophobicContact CE3-CG2 4.07Å; W36-V100 HydrophobicContact CH2-CG1 4.12Å; W36-V100 HydrophobicContact CH2-CG2 4.45Å; W36-V100 HydrophobicContact CZ3-CB 4.42Å; W36-V100 HydrophobicContact CZ3-CG1 3.85Å; W36-V100 HydrophobicContact CZ3-CG2 3.6Å; I89-V100 HydrophobicContact CG2-CG1 3.6Å; V90-V100 CarbonylContact O-C 3.4Å; V90-V100 WeakPolarHBondContact O-CA 3.38Å; L91-V100 HydrophobicContact CD1-CG2 3.78Å; V100-P124 CarbonylContact O-C 3.56Å; V100-P124 WeakPolarHBondContact O-CA 3.22Å; V100-L125 HydrophobicContact CB-CB 4.46Å; V100-L125 HydrophobicContact CG1-CB 4.05Å; V100-L125 HydrophobicContact CG1-CD2 4.08Å; V100-L125 PolarHBondContact O-N 3.38Å; V100-F143 HydrophobicContact CB-CE1 4.41Å; V100-F143 HydrophobicContact CB-CZ 4.39Å; V100-F143 HydrophobicContact CG1-CE1 4.46Å; V100-F143 HydrophobicContact CG1-CZ 4.26Å; V100-F143 HydrophobicContact CG2-CE1 4.26Å; V100-F143 HydrophobicContact CG2-CZ 3.9Å
101	F	94.9	Very high	87.2	Confident	27 Å²	27	55.7 Å²	55.7	12%	0.118	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141.8	175.7	-72.2	-88.6	0	0	0	111.3	I89 V90 E92 L99 K122 Q123 P124	I89-F101 CarbonylContact C-O 3.56Å; I89-F101 WeakPolarHBondContact CA-O 3.39Å; V90-F101 PolarHBondContact N-O 3.33Å; V90-F101 PolarHBondContact O-N 3.11Å; E92-F101 HydrophobicContact CB-CD2 3.85Å; E92-F101 HydrophobicContact CB-CE2 3.91Å; E92-F101 HydrophobicContact CG-CD2 3.85Å; E92-F101 HydrophobicContact CG-CE2 4.29Å; E92-F101 WeakPolarHBondContact OE2-CE2 3.33Å; L99-F101 HydrophobicContact CB-CD2 4.37Å; L99-F101 HydrophobicContact CB-CE2 3.72Å; L99-F101 HydrophobicContact CB-CZ 4.37Å; L99-F101 HydrophobicContact CD1-CZ 4.48Å; F101-K122 HydrophobicContact CB-CD 4.37Å; F101-K122 HydrophobicContact CD1-CD 3.9Å; F101-K122 HydrophobicContact CD1-CG 4.29Å; F101-K122 HydrophobicContact CG-CD 4.24Å; F101-Q123 WeakPolarHBondContact CA-O 3.29Å; F101-P124 HydrophobicContact CE1-CG 4.11Å
102	I	97	Very high	87.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140.2	167.4	-173.1	168.3	0	0	0	110.1	F87 K88 I89 T110 V112 M117 K122 Q123 L125 I131	F87-I102 HydrophobicContact CB-CG1 4.47Å; F87-I102 HydrophobicContact CD2-CD1 3.93Å; F87-I102 HydrophobicContact CD2-CG1 4.18Å; F87-I102 HydrophobicContact CE2-CD1 4.38Å; F87-I102 HydrophobicContact CG-CD1 4.39Å; K88-I102 CarbonylContact O-C 3.59Å; K88-I102 WeakPolarHBondContact O-CA 3.45Å; I89-I102 HydrophobicContact CG1-CG1 4.39Å; I102-T110 HydrophobicContact CD1-CG2 4.12Å; I102-V112 HydrophobicContact CD1-CG2 4.18Å; I102-V112 HydrophobicContact CG2-CG2 4.03Å; I102-M117 HydrophobicContact CD1-SD 4.49Å; I102-M117 HydrophobicContact CG1-CE 4.48Å; I102-M117 HydrophobicContact CG1-SD 4.27Å; I102-M117 HydrophobicContact CG2-CE 4.03Å; I102-M117 HydrophobicContact CG2-SD 3.98Å; I102-M117 VanDerWaalsContact O-CE 3.28Å; I102-M117 WeakPolarHBondContact O-CE 3.48Å; I102-K122 CarbonylContact O-C 3.6Å; I102-K122 WeakPolarHBondContact O-CA 3.47Å; I102-K122 WeakPolarHBondContact O-CB 3.38Å; I102-Q123 HydrophobicContact CG2-CG 3.69Å; I102-Q123 PolarHBondContact N-O 2.98Å; I102-Q123 PolarHBondContact O-N 2.84Å; I102-L125 HydrophobicContact CB-CB 4.19Å; I102-L125 HydrophobicContact CB-CD1 4.32Å; I102-L125 HydrophobicContact CB-CD2 4.48Å; I102-L125 HydrophobicContact CD1-CD1 4.35Å; I102-L125 HydrophobicContact CG2-CB 4.08Å; I102-L125 HydrophobicContact CG2-CD1 4.07Å; I102-I131 HydrophobicContact CD1-CD1 3.93Å; I102-I131 HydrophobicContact CD1-CG1 4.14Å; I102-I131 HydrophobicContact CD1-CG2 4.21Å
103	H	97.1	Very high	87.6	Confident	42 Å²	42	56.3 Å²	56.3	19%	0.194	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.1	-179.2	-61.3	-129	0	0	0	110.2	F87 K88 L105 K121 K122	F87-H103 CarbonylContact C-O 3.5Å; F87-H103 WeakPolarHBondContact CA-O 3.48Å; F87-H103 VanDerWaalsContact CB-O 3.23Å; F87-H103 WeakPolarHBondContact CB-O 3.45Å; K88-H103 HydrophobicContact CB-CB 4.25Å; K88-H103 PolarHBondContact N-O 3.01Å; K88-H103 PolarHBondContact O-N 3.35Å; H103-L105 HydrophobicContact CB-CD2 4.4Å; H103-L105 PolarHBondContact O-N 3.17Å; H103-K121 WeakPolarHBondContact CA-O 3.43Å; H103-K122 HydrophobicContact CB-CB 4.39Å; H103-K122 VanDerWaalsContact CE1-CD 3.47Å; H103-K122 WeakPolarHBondContact CE1-CD 3.23Å
104	D	97.1	Very high	88.3	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	109.8	175.7	-175	9.9	0	0	0	109.9	S106 T110 M117 G118 R119 G120 K121	D104-S106 WeakPolarHBondContact OD1-CB 3.36Å; D104-S106 PolarHBondContact OD1-N 3.47Å; D104-S106 PolarHBondContact OD1-OG 3.32Å; D104-T110 VanDerWaalsContact CG-CB 3.49Å; D104-T110 VanDerWaalsContact CG-OG1 3.29Å; D104-T110 WeakPolarHBondContact OD1-CB 3.35Å; D104-T110 PolarHBondContact OD1-N 2.9Å; D104-T110 PolarHBondContact OD1-OG1 3.15Å; D104-T110 PolarHBondContact OD2-N 3.06Å; D104-M117 HydrophobicContact CB-CB 3.78Å; D104-M117 HydrophobicContact CB-CE 3.8Å; D104-M117 HydrophobicContact CB-SD 4.06Å; D104-M117 VanDerWaalsContact N-CE 3.31Å; D104-G118 VanDerWaalsContact OD2-C 3.25Å; D104-G118 WeakPolarHBondContact OD2-CA 3.37Å; D104-G118 PolarHBondContact OD2-N 3.33Å; D104-R119 CarbonylContact O-C 3.57Å; D104-R119 WeakPolarHBondContact O-CA 3.17Å; D104-R119 PolarHBondContact OD2-N 3.1Å; D104-G120 PolarHBondContact O-N 3.04Å; D104-K121 PolarHBondContact N-O 3.24Å
105	L	96.5	Very high	89.9	Confident	62 Å²	62	49.4 Å²	49.4	33%	0.325	29%	0.286	S	S	.	.			trans	-104.3	-5	-178.9	-57.2	179.2	0	0	0	112.1	L85 H86 K88 H103	L85-L105 HydrophobicContact CD1-CD1 4.1Å; L85-L105 HydrophobicContact CD2-CD1 3.66Å; L85-L105 HydrophobicContact CG-CB 4.2Å; L85-L105 HydrophobicContact CG-CD1 3.69Å; H86-L105 CarbonylContact O-C 3.55Å; H86-L105 WeakPolarHBondContact O-CA 3.25Å; H86-L105 PolarHBondContact O-N 3.48Å; K88-L105 HydrophobicContact CB-CD1 3.99Å; H103-L105 HydrophobicContact CB-CD2 4.4Å; H103-L105 PolarHBondContact O-N 3.17Å
106	S	96.2	Very high	91.5	Very high	1 Å²	1	51 Å²	51	1%	0.007	28%	0.282	C	S	.	.			trans	-78.5	164.1	-168.1	74.8	0	0	0	0	114.7	S83 H86 D104 G109 T110 R119	S83-S106 WeakPolarHBondContact OG-CA 3.41Å; S83-S106 WeakPolarHBondContact OG-CB 3.44Å; H86-S106 VanDerWaalsContact CD2-CB 3.43Å; H86-S106 WeakPolarHBondContact CD2-CB 3.33Å; H86-S106 PolarHBondContact NE2-OG 3.49Å; H86-S106 WeakPolarHBondContact O-CB 3.44Å; H86-S106 PolarHBondContact O-N 3.17Å; D104-S106 WeakPolarHBondContact OD1-CB 3.36Å; D104-S106 PolarHBondContact OD1-N 3.47Å; D104-S106 PolarHBondContact OD1-OG 3.32Å; S106-G109 WeakPolarHBondContact OG-CA 3.36Å; S106-G109 PolarHBondContact OG-N 2.92Å; S106-T110 PolarHBondContact OG-N 3.49Å; S106-R119 WeakPolarHBondContact O-CB 3.45Å; S106-R119 VanDerWaalsContact O-CD 3.24Å; S106-R119 WeakPolarHBondContact O-CD 3.48Å; S106-R119 WeakPolarHBondContact O-CG 3.47Å
107	S	94.3	Very high	92.8	Very high	82 Å²	82	43.4 Å²	43.4	57%	0.573	24%	0.242	S	C	*	.	S	Bend	trans	-83.1	-39.3	168.9	-60.8	0	0	0	0	112.7	S83	S83-S107 PolarHBondContact OG-N 3.07Å
108	N	94.1	Very high	93.8	Very high	76 Å²	76	38.6 Å²	38.6	41%	0.406	22%	0.22	S	C	.	.	S	Bend	trans	-93.1	-16.9	-172.5	-72.4	-41	0	0	0	114.2	T81 K116	T81-N108 PolarHBondContact O-ND2 3.07Å; N108-K116 PolarHBondContact O-NZ 3.06Å
109	G	94.9	Very high	94.5	Very high	1 Å²	1	44 Å²	44	1%	0.01	23%	0.232	C	C	.	.			trans	117.6	136.5	173.9	0	0	0	0	0	113.1	H86 S106 S134	H86-G109 PolarHBondContact NE2-O 3.48Å; S106-G109 WeakPolarHBondContact OG-CA 3.36Å; S106-G109 PolarHBondContact OG-N 2.92Å; G109-S134 WeakPolarHBondContact O-CA 3.46Å; G109-S134 PolarHBondContact O-N 2.6Å
110	T	97.1	Very high	94.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	137.4	158.6	-50.1	0	0	0	0	107.8	H86 F87 I102 D104 S106 M117 I131	H86-T110 PolarHBondContact CD2-OG1 2.9Å; H86-T110 VanDerWaalsContact NE2-CA 3.35Å; H86-T110 WeakPolarHBondContact NE2-CA 3.25Å; H86-T110 PolarHBondContact NE2-N 2.91Å; H86-T110 VanDerWaalsContact NE2-N 3.14Å; H86-T110 PolarHBondContact NE2-OG1 3.36Å; H86-T110 PolarHBondContact O-OG1 3.04Å; F87-T110 HydrophobicContact CB-CG2 4.01Å; F87-T110 HydrophobicContact CD1-CG2 4.18Å; F87-T110 HydrophobicContact CG-CG2 4.22Å; I102-T110 HydrophobicContact CD1-CG2 4.12Å; D104-T110 VanDerWaalsContact CG-CB 3.49Å; D104-T110 VanDerWaalsContact CG-OG1 3.29Å; D104-T110 WeakPolarHBondContact OD1-CB 3.35Å; D104-T110 PolarHBondContact OD1-N 2.9Å; D104-T110 PolarHBondContact OD1-OG1 3.15Å; D104-T110 PolarHBondContact OD2-N 3.06Å; S106-T110 PolarHBondContact OG-N 3.49Å; T110-M117 HydrophobicContact CG2-SD 4Å; T110-M117 PolarHBondContact O-N 3.4Å; T110-I131 HydrophobicContact CG2-CG2 4.34Å
111	F	97	Very high	94.9	Very high	26 Å²	26	48.5 Å²	48.5	11%	0.114	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.9	178.2	-59.4	-113.8	0	0	0	109	S115 K116 S132 S134 K136	F111-S115 CarbonylContact C-O 3.55Å; F111-S115 VanDerWaalsContact CA-O 3.23Å; F111-S115 WeakPolarHBondContact CA-O 3.3Å; F111-K116 HydrophobicContact CD1-CB 3.76Å; F111-K116 HydrophobicContact CE1-CB 3.67Å; F111-K116 HydrophobicContact CE1-CD 4.25Å; F111-K116 HydrophobicContact CE1-CG 4.3Å; F111-K116 HydrophobicContact CE2-CD 4.38Å; F111-K116 HydrophobicContact CG-CB 4.35Å; F111-K116 HydrophobicContact CZ-CB 4.16Å; F111-K116 HydrophobicContact CZ-CD 3.92Å; F111-K116 HydrophobicContact CZ-CG 4.29Å; F111-S132 PolarHBondContact N-O 2.9Å; F111-S132 PolarHBondContact O-N 3.02Å; F111-S134 WeakPolarHBondContact CE2-O 3.43Å; F111-K136 HydrophobicContact CD1-CB 3.95Å; F111-K136 HydrophobicContact CE1-CB 3.86Å
112	V	95.6	Very high	94.9	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.03	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.7	170.2	-178.4	0	0	0	0	108.8	I102 G114 S115 M117 D129 E130	I102-V112 HydrophobicContact CD1-CG2 4.18Å; I102-V112 HydrophobicContact CG2-CG2 4.03Å; V112-G114 PolarHBondContact O-N 2.94Å; V112-G114 VanDerWaalsContact O-N 3.11Å; V112-S115 PolarHBondContact N-O 2.83Å; V112-S115 WeakPolarHBondContact O-CB 3.48Å; V112-S115 PolarHBondContact O-N 2.9Å; V112-M117 HydrophobicContact CG2-CG 4.2Å; V112-M117 HydrophobicContact CG2-SD 3.81Å; V112-D129 HydrophobicContact CG1-CB 3.75Å; V112-E130 CarbonylContact C-O 3.51Å; V112-E130 VanDerWaalsContact CA-O 3.28Å; V112-E130 WeakPolarHBondContact CA-O 3.46Å
113	N	92.2	Very high	94.7	Very high	84 Å²	84	54.4 Å²	54.4	45%	0.449	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	34.8	-171.8	-59.9	-32.2	0	0	0	112.6	S115 D129 E130	N113-S115 VanDerWaalsContact C-N 3.25Å; N113-S115 PolarHBondContact O-N 2.86Å; N113-D129 PolarHBondContact ND2-OD1 3.39Å; N113-D129 WeakPolarHBondContact OD1-CA 3.5Å; N113-E130 PolarHBondContact N-O 2.85Å; N113-E130 PolarHBondContact OD1-N 2.83Å
114	G	91.9	Very high	94.5	Very high	9 Å²	9	55.6 Å²	55.6	9%	0.093	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	11.6	-176	0	0	0	0	0	115.7	V112 K136	V112-G114 PolarHBondContact O-N 2.94Å; V112-G114 VanDerWaalsContact O-N 3.11Å; G114-K136 WeakPolarHBondContact O-CD 3.46Å; G114-K136 VanDerWaalsContact O-CE 3.23Å; G114-K136 WeakPolarHBondContact O-CE 3.46Å; G114-K136 PolarHBondContact O-NZ 3.06Å
115	S	94	Very high	94.3	Very high	80 Å²	80	55.8 Å²	55.8	56%	0.559	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.2	172.4	-70.3	0	0	0	0	110.3	F111 V112 N113 M117	F111-S115 CarbonylContact C-O 3.55Å; F111-S115 VanDerWaalsContact CA-O 3.23Å; F111-S115 WeakPolarHBondContact CA-O 3.3Å; V112-S115 PolarHBondContact N-O 2.83Å; V112-S115 WeakPolarHBondContact O-CB 3.48Å; V112-S115 PolarHBondContact O-N 2.9Å; N113-S115 VanDerWaalsContact C-N 3.25Å; N113-S115 PolarHBondContact O-N 2.86Å; S115-M117 PolarHBondContact O-N 3.05Å
116	K	95	Very high	94.1	Very high	115 Å²	115	57.1 Å²	57.1	50%	0.5	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.4	-178	-177.4	164.1	169.8	164.9	0	110.7	N108 F111	N108-K116 PolarHBondContact O-NZ 3.06Å; F111-K116 HydrophobicContact CD1-CB 3.76Å; F111-K116 HydrophobicContact CE1-CB 3.67Å; F111-K116 HydrophobicContact CE1-CD 4.25Å; F111-K116 HydrophobicContact CE1-CG 4.3Å; F111-K116 HydrophobicContact CE2-CD 4.38Å; F111-K116 HydrophobicContact CG-CB 4.35Å; F111-K116 HydrophobicContact CZ-CB 4.16Å; F111-K116 HydrophobicContact CZ-CD 3.92Å; F111-K116 HydrophobicContact CZ-CG 4.29Å
117	M	94.7	Very high	93.8	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.039	32%	0.321	C	S	.	.			trans	-64.4	-57.2	178.2	-66.7	172.6	58.6	0	0	111.3	I102 D104 T110 V112 S115 K121 Q123	I102-M117 HydrophobicContact CD1-SD 4.49Å; I102-M117 HydrophobicContact CG1-CE 4.48Å; I102-M117 HydrophobicContact CG1-SD 4.27Å; I102-M117 HydrophobicContact CG2-CE 4.03Å; I102-M117 HydrophobicContact CG2-SD 3.98Å; I102-M117 VanDerWaalsContact O-CE 3.28Å; I102-M117 WeakPolarHBondContact O-CE 3.48Å; D104-M117 HydrophobicContact CB-CB 3.78Å; D104-M117 HydrophobicContact CB-CE 3.8Å; D104-M117 HydrophobicContact CB-SD 4.06Å; D104-M117 VanDerWaalsContact N-CE 3.31Å; T110-M117 HydrophobicContact CG2-SD 4Å; T110-M117 PolarHBondContact O-N 3.4Å; V112-M117 HydrophobicContact CG2-CG 4.2Å; V112-M117 HydrophobicContact CG2-SD 3.81Å; S115-M117 PolarHBondContact O-N 3.05Å; M117-K121 WeakPolarHBondContact O-CD 3.36Å; M117-K121 WeakPolarHBondContact O-CE 3.4Å; M117-K121 PolarHBondContact O-NZ 3Å; M117-Q123 HydrophobicContact CE-CG 4.06Å; M117-Q123 HydrophobicContact CG-CG 4.49Å; M117-Q123 HydrophobicContact SD-CG 4.42Å
118	G	90.8	Very high	93.6	Very high	18 Å²	18	56.7 Å²	56.7	19%	0.186	30%	0.302	C	S	.	.			trans	100	132.8	-175.4	0	0	0	0	0	112	D104 G120 K121	D104-G118 VanDerWaalsContact OD2-C 3.25Å; D104-G118 WeakPolarHBondContact OD2-CA 3.37Å; D104-G118 PolarHBondContact OD2-N 3.33Å; G118-G120 PolarHBondContact O-N 2.83Å; G118-K121 WeakPolarHBondContact O-CB 3.19Å; G118-K121 WeakPolarHBondContact O-CG 3.09Å; G118-K121 PolarHBondContact O-N 2.78Å; G118-K121 VanDerWaalsContact O-N 3.16Å
119	R	93.9	Very high	93.6	Very high	183 Å²	183	53.6 Å²	53.6	69%	0.691	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	130.3	-175.5	-171.1	178	-173.8	-159.4	-2.9	113.2	D104 S106 K121	D104-R119 CarbonylContact O-C 3.57Å; D104-R119 WeakPolarHBondContact O-CA 3.17Å; D104-R119 PolarHBondContact OD2-N 3.1Å; S106-R119 WeakPolarHBondContact O-CB 3.45Å; S106-R119 VanDerWaalsContact O-CD 3.24Å; S106-R119 WeakPolarHBondContact O-CD 3.48Å; S106-R119 WeakPolarHBondContact O-CG 3.47Å; R119-K121 VanDerWaalsContact C-N 3.35Å
120	G	93.2	Very high	93.6	Very high	65 Å²	65	54.6 Å²	54.6	67%	0.67	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-9.8	179	0	0	0	0	0	114.9	D104 G118	D104-G120 PolarHBondContact O-N 3.04Å; G118-G120 PolarHBondContact O-N 2.83Å
121	K	95.1	Very high	93.6	Very high	133 Å²	133	54.6 Å²	54.6	58%	0.578	29%	0.29	S	S	*	.			trans	-85.8	152.2	177.2	-59.1	-168.8	-158.5	156.6	0	112.3	H103 D104 M117 G118 R119	H103-K121 WeakPolarHBondContact CA-O 3.43Å; D104-K121 PolarHBondContact N-O 3.24Å; M117-K121 WeakPolarHBondContact O-CD 3.36Å; M117-K121 WeakPolarHBondContact O-CE 3.4Å; M117-K121 PolarHBondContact O-NZ 3Å; G118-K121 WeakPolarHBondContact O-CB 3.19Å; G118-K121 WeakPolarHBondContact O-CG 3.09Å; G118-K121 PolarHBondContact O-N 2.78Å; G118-K121 VanDerWaalsContact O-N 3.16Å; R119-K121 VanDerWaalsContact C-N 3.35Å
122	K	94.3	Very high	93.5	Very high	85 Å²	85	53.4 Å²	53.4	37%	0.37	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	156	161.7	79.4	170.1	-170.1	149.4	0	111.7	E92 F101 I102 H103	E92-K122 IonicContact OE1-NZ 3.78Å; E92-K122 PolarHBondContact OE1-NZ 3.18Å; E92-K122 IonicContact OE2-NZ 3.79Å; E92-K122 PolarHBondContact OE2-NZ 3Å; F101-K122 HydrophobicContact CB-CD 4.37Å; F101-K122 HydrophobicContact CD1-CD 3.9Å; F101-K122 HydrophobicContact CD1-CG 4.29Å; F101-K122 HydrophobicContact CG-CD 4.24Å; I102-K122 CarbonylContact O-C 3.6Å; I102-K122 WeakPolarHBondContact O-CA 3.47Å; I102-K122 WeakPolarHBondContact O-CB 3.38Å; H103-K122 HydrophobicContact CB-CB 4.39Å; H103-K122 VanDerWaalsContact CE1-CD 3.47Å; H103-K122 WeakPolarHBondContact CE1-CD 3.23Å
123	Q	93.6	Very high	93.5	Very high	66 Å²	66	53.1 Å²	53.1	31%	0.308	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161.9	169.9	65.4	173.3	63.7	0	0	109.9	F101 I102 M117	F101-Q123 WeakPolarHBondContact CA-O 3.29Å; I102-Q123 HydrophobicContact CG2-CG 3.69Å; I102-Q123 PolarHBondContact N-O 2.98Å; I102-Q123 PolarHBondContact O-N 2.84Å; M117-Q123 HydrophobicContact CE-CG 4.06Å; M117-Q123 HydrophobicContact CG-CG 4.49Å; M117-Q123 HydrophobicContact SD-CG 4.42Å
124	P	93.3	Very high	93.5	Very high	67 Å²	67	49.5 Å²	49.5	44%	0.435	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	145	166.3	-22.2	34.2	0	0	0	111.4	V100 F101	V100-P124 CarbonylContact O-C 3.56Å; V100-P124 WeakPolarHBondContact O-CA 3.22Å; F101-P124 HydrophobicContact CE1-CG 4.11Å
125	L	93.8	Very high	93.5	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.031	28%	0.276	C	S	.	.			trans	-112	108.5	171.3	-176	71.6	0	0	0	107.6	I89 V100 I102 D129 I131 F143	I89-L125 HydrophobicContact CD1-CD2 3.81Å; I89-L125 HydrophobicContact CG1-CD2 4.19Å; I89-L125 HydrophobicContact CG2-CD2 4.1Å; V100-L125 HydrophobicContact CB-CB 4.46Å; V100-L125 HydrophobicContact CG1-CB 4.05Å; V100-L125 HydrophobicContact CG1-CD2 4.08Å; V100-L125 PolarHBondContact O-N 3.38Å; I102-L125 HydrophobicContact CB-CB 4.19Å; I102-L125 HydrophobicContact CB-CD1 4.32Å; I102-L125 HydrophobicContact CB-CD2 4.48Å; I102-L125 HydrophobicContact CD1-CD1 4.35Å; I102-L125 HydrophobicContact CG2-CB 4.08Å; I102-L125 HydrophobicContact CG2-CD1 4.07Å; L125-D129 HydrophobicContact CD1-CB 3.67Å; L125-D129 HydrophobicContact CG-CB 4.48Å; L125-I131 HydrophobicContact CD1-CD1 4.13Å; L125-I131 HydrophobicContact CD1-CG1 4.16Å; L125-I131 HydrophobicContact CD2-CD1 4.25Å; L125-F143 HydrophobicContact CD1-CB 4.35Å; L125-F143 HydrophobicContact CD2-CB 3.87Å; L125-F143 HydrophobicContact CD2-CD1 3.97Å; L125-F143 HydrophobicContact CD2-CD2 4.14Å; L125-F143 HydrophobicContact CD2-CG 3.7Å; L125-F143 HydrophobicContact CG-CB 4Å; L125-F143 HydrophobicContact CG-CD1 3.78Å; L125-F143 HydrophobicContact CG-CG 3.95Å
126	N	91.3	Very high	93.3	Very high	90 Å²	90	54.3 Å²	54.3	48%	0.481	28%	0.276	S	S	.	.			trans	-93.2	152.8	-171	-46.1	-90.1	0	0	0	110.2	N128 D129 F143	N126-N128 PolarHBondContact O-N 2.63Å; N126-D129 PolarHBondContact N-OD2 2.8Å; N126-D129 PolarHBondContact ND2-OD2 3.44Å; N126-D129 VanDerWaalsContact O-CB 3.27Å; N126-D129 WeakPolarHBondContact O-CB 3.35Å; N126-D129 PolarHBondContact O-N 2.72Å; N126-F143 WeakPolarHBondContact O-CD1 3.42Å
127	N	89.7	Confident	92.9	Very high	42 Å²	42	55.3 Å²	55.3	23%	0.225	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	125.5	173.5	-179.2	38.9	0	0	0	111.1	S144 E145 S148	N127-S144 WeakPolarHBondContact OD1-CA 3.5Å; N127-E145 HydrophobicContact CB-CB 3.94Å; N127-E145 PolarHBondContact OD1-N 2.85Å; N127-E145 VanDerWaalsContact OD1-N 3.08Å; N127-S148 WeakPolarHBondContact ND2-CB 3.45Å; N127-S148 PolarHBondContact ND2-OG 2.9Å; N127-S148 VanDerWaalsContact ND2-OG 3.09Å
128	N	90.3	Very high	92.7	Very high	31 Å²	31	55.4 Å²	55.4	17%	0.166	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	12.6	-171.5	-52.7	-72	0	0	0	117.9	N126 E130 I142 F143 S164 K165	N126-N128 PolarHBondContact O-N 2.63Å; N128-E130 PolarHBondContact O-N 2.74Å; N128-I142 HydrophobicContact CB-CD1 4.14Å; N128-I142 HydrophobicContact CB-CG1 4.45Å; N128-I142 WeakPolarHBondContact O-CD1 3.05Å; N128-I142 WeakPolarHBondContact O-CG1 3.48Å; N128-F143 VanDerWaalsContact CA-O 3.3Å; N128-F143 WeakPolarHBondContact CA-O 3.43Å; N128-F143 PolarHBondContact N-O 3.09Å; N128-S164 WeakPolarHBondContact OD1-CA 3.41Å; N128-S164 WeakPolarHBondContact OD1-CB 3.42Å; N128-S164 PolarHBondContact OD1-OG 3.16Å; N128-K165 HydrophobicContact CB-CB 4.16Å; N128-K165 PolarHBondContact OD1-N 2.72Å; N128-K165 VanDerWaalsContact OD1-N 3.11Å
129	D	93.8	Very high	92.7	Very high	11 Å²	11	58.4 Å²	58.4	6%	0.059	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-67.7	124.6	171	-84	-8.6	0	0	0	111.8	V112 N113 L125 N126 I142 F143	V112-D129 HydrophobicContact CG1-CB 3.75Å; N113-D129 PolarHBondContact ND2-OD1 3.39Å; N113-D129 WeakPolarHBondContact OD1-CA 3.5Å; L125-D129 HydrophobicContact CD1-CB 3.67Å; L125-D129 HydrophobicContact CG-CB 4.48Å; N126-D129 PolarHBondContact N-OD2 2.8Å; N126-D129 PolarHBondContact ND2-OD2 3.44Å; N126-D129 VanDerWaalsContact O-CB 3.27Å; N126-D129 WeakPolarHBondContact O-CB 3.35Å; N126-D129 PolarHBondContact O-N 2.72Å; D129-I142 WeakPolarHBondContact O-CA 3.45Å; D129-F143 PolarHBondContact O-N 3.18Å
130	E	94.7	Very high	92.6	Very high	22 Å²	22	49.7 Å²	49.7	10%	0.103	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.3	175.1	-64	-174.7	157.6	0	0	111.3	L42 V112 N113 N128 K139 F141 I142 K165	L42-E130 HydrophobicContact CD1-CB 4.17Å; L42-E130 HydrophobicContact CD1-CG 4.03Å; V112-E130 CarbonylContact C-O 3.51Å; V112-E130 VanDerWaalsContact CA-O 3.28Å; V112-E130 WeakPolarHBondContact CA-O 3.46Å; N113-E130 PolarHBondContact N-O 2.85Å; N113-E130 PolarHBondContact OD1-N 2.83Å; N128-E130 PolarHBondContact O-N 2.74Å; E130-K139 IonicContact OE1-NZ 3.25Å; E130-K139 PolarHBondContact OE1-NZ 3.49Å; E130-K139 WeakPolarHBondContact OE2-CE 3.29Å; E130-K139 IonicContact OE2-NZ 2.74Å; E130-K139 PolarHBondContact OE2-NZ 2.9Å; E130-F141 CarbonylContact C-O 3.59Å; E130-I142 HydrophobicContact CG-CD1 4.23Å; E130-K165 IonicContact OE1-NZ 2.73Å; E130-K165 PolarHBondContact OE1-NZ 3.08Å
131	I	96.8	Very high	92.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.5	177.6	-54.2	173.1	0	0	0	110	L39 F87 I89 I102 T110 L125 C140 F141	L39-I131 HydrophobicContact CD2-CD1 3.95Å; F87-I131 HydrophobicContact CE1-CG2 4.05Å; F87-I131 HydrophobicContact CE2-CD1 4.41Å; F87-I131 HydrophobicContact CE2-CG2 4.38Å; F87-I131 HydrophobicContact CZ-CG2 3.94Å; I89-I131 HydrophobicContact CD1-CD1 4.06Å; I102-I131 HydrophobicContact CD1-CD1 3.93Å; I102-I131 HydrophobicContact CD1-CG1 4.14Å; I102-I131 HydrophobicContact CD1-CG2 4.21Å; T110-I131 HydrophobicContact CG2-CG2 4.34Å; L125-I131 HydrophobicContact CD1-CD1 4.13Å; L125-I131 HydrophobicContact CD1-CG1 4.16Å; L125-I131 HydrophobicContact CD2-CD1 4.25Å; I131-C140 PolarHBondContact O-N 3.22Å; I131-F141 PolarHBondContact N-O 2.91Å; I131-F141 PolarHBondContact O-N 3.5Å
132	S	96.3	Very high	92.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.7	171.9	-39.3	0	0	0	0	111.6	F111 L138	F111-S132 PolarHBondContact N-O 2.9Å; F111-S132 PolarHBondContact O-N 3.02Å; S132-L138 WeakPolarHBondContact CA-O 3.38Å; S132-L138 WeakPolarHBondContact CB-O 3.39Å
133	V	95.5	Very high	92.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	137.5	-178.7	-58.2	0	0	0	0	111.3	F68 F73 V82 F87 L135 L138	F68-V133 HydrophobicContact CE2-CG1 4.15Å; F68-V133 HydrophobicContact CZ-CG1 4.06Å; F73-V133 HydrophobicContact CE1-CG2 4.03Å; F73-V133 HydrophobicContact CZ-CG2 4.48Å; V82-V133 HydrophobicContact CG2-CG2 3.96Å; F87-V133 HydrophobicContact CD1-CG1 4.12Å; F87-V133 HydrophobicContact CE1-CG1 3.72Å; V133-L135 PolarHBondContact O-N 3.47Å; V133-L138 HydrophobicContact CG2-CD2 4.09Å; V133-L138 HydrophobicContact CG2-CG 4.21Å; V133-L138 PolarHBondContact N-O 3.15Å; V133-L138 WeakPolarHBondContact O-CD2 3.35Å
134	S	92.6	Very high	92.6	Very high	8 Å²	8	33.6 Å²	33.6	6%	0.056	17%	0.169	C	C	.	.	S	Bend	trans	63.3	-40.1	178	-57.6	0	0	0	0	117.2	T81 V82 H86 G109 F111	T81-S134 VanDerWaalsContact C-OG 3.25Å; T81-S134 WeakPolarHBondContact CB-OG 3.28Å; T81-S134 PolarHBondContact O-OG 3.14Å; T81-S134 WeakPolarHBondContact OG1-CB 3.21Å; T81-S134 PolarHBondContact OG1-OG 3.12Å; V82-S134 PolarHBondContact N-OG 3.4Å; H86-S134 WeakPolarHBondContact CE1-CA 3.29Å; H86-S134 WeakPolarHBondContact CE1-CB 3.36Å; H86-S134 PolarHBondContact CE1-N 3.37Å; H86-S134 PolarHBondContact CE1-OG 3.41Å; H86-S134 PolarHBondContact NE2-N 3.07Å; G109-S134 WeakPolarHBondContact O-CA 3.46Å; G109-S134 PolarHBondContact O-N 2.6Å; F111-S134 WeakPolarHBondContact CE2-O 3.43Å
135	L	90.5	Very high	92.2	Very high	64 Å²	64	34 Å²	34	34%	0.335	17%	0.165	S	C	.	.	S	Bend	trans	-136.3	138.3	-172	-61	172.4	0	0	0	109.3	V133 H137 L138	V133-L135 PolarHBondContact O-N 3.47Å; L135-H137 PolarHBondContact O-N 3.22Å; L135-H137 VanDerWaalsContact O-N 3.08Å; L135-L138 HydrophobicContact CB-CB 4.09Å; L135-L138 PolarHBondContact O-N 3.38Å
136	K	89.7	Confident	91.4	Very high	126 Å²	126	35.7 Å²	35.7	55%	0.548	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27.4	-177.7	175.9	170.2	179.5	133.6	0	114.5	F111 G114	F111-K136 HydrophobicContact CD1-CB 3.95Å; F111-K136 HydrophobicContact CE1-CB 3.86Å; G114-K136 WeakPolarHBondContact O-CD 3.46Å; G114-K136 VanDerWaalsContact O-CE 3.23Å; G114-K136 WeakPolarHBondContact O-CE 3.46Å; G114-K136 PolarHBondContact O-NZ 3.06Å
137	H	87.6	Confident	90.5	Very high	135 Å²	135	34.7 Å²	34.7	63%	0.625	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-12.2	-178.9	55.1	-107.8	0	0	0	113.8	L135 K139	L135-H137 PolarHBondContact O-N 3.22Å; L135-H137 VanDerWaalsContact O-N 3.08Å; H137-K139 PolarHBondContact O-N 3.08Å
138	L	89.2	Confident	89.4	Confident	10 Å²	10	34.5 Å²	34.5	5%	0.052	18%	0.179	C	C	.	.			trans	-84.9	65.4	-177	-175.8	52.1	0	0	0	109.9	F73 Q78 S132 V133 L135 C140	F73-L138 HydrophobicContact CD1-CD1 4.13Å; F73-L138 HydrophobicContact CD1-CD2 3.88Å; F73-L138 HydrophobicContact CD1-CG 4.45Å; F73-L138 HydrophobicContact CE1-CD1 4.39Å; F73-L138 HydrophobicContact CE1-CD2 3.93Å; F73-L138 HydrophobicContact CE1-CG 4.37Å; Q78-L138 HydrophobicContact CG-CD2 3.57Å; S132-L138 WeakPolarHBondContact CA-O 3.38Å; S132-L138 WeakPolarHBondContact CB-O 3.39Å; V133-L138 HydrophobicContact CG2-CD2 4.09Å; V133-L138 HydrophobicContact CG2-CG 4.21Å; V133-L138 PolarHBondContact N-O 3.15Å; V133-L138 WeakPolarHBondContact O-CD2 3.35Å; L135-L138 HydrophobicContact CB-CB 4.09Å; L135-L138 PolarHBondContact O-N 3.38Å; L138-C140 PolarHBondContact O-N 3.02Å
139	K	91.1	Very high	88.2	Confident	82 Å²	82	33.9 Å²	33.9	36%	0.357	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	116.3	-178.6	-63	-169.3	-176.8	-166.2	0	109.8	L42 E130 H137	L42-K139 HydrophobicContact CB-CB 4.1Å; L42-K139 HydrophobicContact CD1-CB 3.82Å; L42-K139 HydrophobicContact CD1-CD 4.18Å; E130-K139 IonicContact OE1-NZ 3.25Å; E130-K139 PolarHBondContact OE1-NZ 3.49Å; E130-K139 WeakPolarHBondContact OE2-CE 3.29Å; E130-K139 IonicContact OE2-NZ 2.74Å; E130-K139 PolarHBondContact OE2-NZ 2.9Å; H137-K139 PolarHBondContact O-N 3.08Å
140	C	93.4	Very high	87	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-50.9	-179.5	-58.1	0	0	0	0	111.3	L42 F46 I131 L138	L42-C140 PolarHBondContact N-O 3.43Å; F46-C140 HydrophobicContact CD1-CB 4.08Å; F46-C140 HydrophobicContact CE1-CB 3.83Å; F46-C140 HydrophobicContact CZ-CB 4.09Å; F46-C140 VanDerWaalsContact CZ-SG 3.57Å; I131-C140 PolarHBondContact O-N 3.22Å; L138-C140 PolarHBondContact O-N 3.02Å
141	F	95.8	Very high	85.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.6	-168.9	-56.6	-67.1	0	0	0	112.2	L39 L40 L42 F46 P47 I49 F58 F66 F68 E130 I131	L39-F141 HydrophobicContact CB-CB 4.11Å; L39-F141 HydrophobicContact CB-CD1 3.89Å; L39-F141 HydrophobicContact CB-CE1 4.48Å; L39-F141 HydrophobicContact CB-CG 3.98Å; L39-F141 HydrophobicContact CD1-CD2 4.06Å; L39-F141 HydrophobicContact CD1-CE2 4.38Å; L39-F141 HydrophobicContact CD1-CG 4.19Å; L39-F141 HydrophobicContact CD2-CB 4.19Å; L40-F141 CarbonylContact O-C 3.55Å; L40-F141 VanDerWaalsContact O-CA 3.25Å; L40-F141 WeakPolarHBondContact O-CA 3.41Å; L42-F141 VanDerWaalsContact CD1-C 3.47Å; L42-F141 VanDerWaalsContact CD1-O 3.25Å; L42-F141 WeakPolarHBondContact CD1-O 3.46Å; F46-F141 HydrophobicContact CB-CE1 3.87Å; F46-F141 HydrophobicContact CB-CZ 4.31Å; F46-F141 HydrophobicContact CD1-CE1 4.31Å; F46-F141 HydrophobicContact CD1-CE2 4.46Å; F46-F141 AromaticContact CD1-CZ 3.93Å; F46-F141 HydrophobicContact CD1-CZ 3.93Å; F46-F141 HydrophobicContact CG-CE1 4.44Å; P47-F141 WeakPolarHBondContact O-CE1 3.42Å; I49-F141 HydrophobicContact CD1-CE1 3.97Å; I49-F141 HydrophobicContact CD1-CE2 4.38Å; I49-F141 HydrophobicContact CD1-CZ 3.67Å; F58-F141 HydrophobicContact CD1-CE2 4.45Å; F58-F141 HydrophobicContact CE1-CE2 4.45Å; F66-F141 HydrophobicContact CE1-CZ 4.05Å; F66-F141 HydrophobicContact CZ-CZ 4.41Å; F68-F141 AromaticContact CE1-CE2 3.94Å; F68-F141 HydrophobicContact CE1-CE2 3.94Å; F68-F141 HydrophobicContact CE1-CZ 4.35Å; F68-F141 HydrophobicContact CZ-CE2 4.11Å; E130-F141 CarbonylContact C-O 3.59Å; I131-F141 PolarHBondContact N-O 2.91Å; I131-F141 PolarHBondContact O-N 3.5Å
142	I	94	Very high	85.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.9	158	-171.6	159.5	0	0	0	108.3	L40 L42 N128 D129 E130 S164 K165 F179	L40-I142 HydrophobicContact CB-CG2 3.82Å; L40-I142 PolarHBondContact N-O 3.45Å; L40-I142 PolarHBondContact O-N 3.03Å; L42-I142 HydrophobicContact CD1-CB 4.19Å; L42-I142 HydrophobicContact CD2-CB 4.06Å; L42-I142 HydrophobicContact CD2-CG2 3.99Å; L42-I142 HydrophobicContact CG-CB 4.18Å; L42-I142 HydrophobicContact CG-CG2 4.35Å; N128-I142 HydrophobicContact CB-CD1 4.14Å; N128-I142 HydrophobicContact CB-CG1 4.45Å; N128-I142 WeakPolarHBondContact O-CD1 3.05Å; N128-I142 WeakPolarHBondContact O-CG1 3.48Å; D129-I142 WeakPolarHBondContact O-CA 3.45Å; E130-I142 HydrophobicContact CG-CD1 4.23Å; I142-S164 WeakPolarHBondContact CD1-OG 3.21Å; I142-K165 HydrophobicContact CD1-CD 4.05Å; I142-K165 HydrophobicContact CD1-CG 4.18Å; I142-F179 HydrophobicContact CG2-CE2 3.64Å; I142-F179 HydrophobicContact CG2-CZ 3.49Å; I142-F179 VanDerWaalsContact CG2-CZ 3.49Å
143	F	94.2	Very high	84.8	Confident	1 Å²	1	51 Å²	51	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	135	177.2	173.3	-116	0	0	0	110.3	W36 L39 L51 V100 L125 N126 N128 D129 E145	W36-F143 HydrophobicContact CZ3-CE2 4.05Å; W36-F143 HydrophobicContact CZ3-CZ 4.17Å; L39-F143 HydrophobicContact CD2-CB 4.08Å; L39-F143 HydrophobicContact CD2-CD2 4.14Å; L51-F143 HydrophobicContact CD1-CD2 4.18Å; L51-F143 HydrophobicContact CD1-CE2 3.94Å; V100-F143 HydrophobicContact CB-CE1 4.41Å; V100-F143 HydrophobicContact CB-CZ 4.39Å; V100-F143 HydrophobicContact CG1-CE1 4.46Å; V100-F143 HydrophobicContact CG1-CZ 4.26Å; V100-F143 HydrophobicContact CG2-CE1 4.26Å; V100-F143 HydrophobicContact CG2-CZ 3.9Å; L125-F143 HydrophobicContact CD1-CB 4.35Å; L125-F143 HydrophobicContact CD2-CB 3.87Å; L125-F143 HydrophobicContact CD2-CD1 3.97Å; L125-F143 HydrophobicContact CD2-CD2 4.14Å; L125-F143 HydrophobicContact CD2-CG 3.7Å; L125-F143 HydrophobicContact CG-CB 4Å; L125-F143 HydrophobicContact CG-CD1 3.78Å; L125-F143 HydrophobicContact CG-CG 3.95Å; N126-F143 WeakPolarHBondContact O-CD1 3.42Å; N128-F143 VanDerWaalsContact CA-O 3.3Å; N128-F143 WeakPolarHBondContact CA-O 3.43Å; N128-F143 PolarHBondContact N-O 3.09Å; D129-F143 PolarHBondContact O-N 3.18Å; F143-E145 HydrophobicContact CE1-CB 4.25Å; F143-E145 HydrophobicContact CZ-CB 4.23Å
144	S	90.2	Very high	84.5	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.063	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130	174.6	-170.1	0	0	0	0	110.4	G37 R38 N127 T162	G37-S144 CarbonylContact C-O 3.55Å; G37-S144 WeakPolarHBondContact CA-O 3.43Å; R38-S144 PolarHBondContact N-O 3.28Å; R38-S144 PolarHBondContact O-N 2.99Å; N127-S144 WeakPolarHBondContact OD1-CA 3.5Å; S144-T162 VanDerWaalsContact OG-CG2 3.29Å; S144-T162 WeakPolarHBondContact OG-CG2 3.38Å
145	E	85.5	Confident	84.3	Confident	75 Å²	75	54.4 Å²	54.4	35%	0.35	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.9	177.9	-167.6	-163	154.7	0	0	110.1	N127 F143 S147 S148	N127-E145 HydrophobicContact CB-CB 3.94Å; N127-E145 PolarHBondContact OD1-N 2.85Å; N127-E145 VanDerWaalsContact OD1-N 3.08Å; F143-E145 HydrophobicContact CE1-CB 4.25Å; F143-E145 HydrophobicContact CZ-CB 4.23Å; E145-S147 WeakPolarHBondContact CG-OG 3.39Å; E145-S147 PolarHBondContact O-N 2.92Å; E145-S147 PolarHBondContact OE1-OG 3.15Å; E145-S148 PolarHBondContact O-N 2.81Å
146	S	78.2	Confident	84.3	Confident	43 Å²	43	56.6 Å²	56.6	30%	0.301	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.1	-170.5	-57.5	0	0	0	0	114.6	I35 W36	I35-S146 WeakPolarHBondContact O-CB 3.47Å; I35-S146 PolarHBondContact O-OG 3.45Å; W36-S146 PolarHBondContact O-N 2.81Å; W36-S146 PolarHBondContact O-OG 3.28Å
147	S	70.7	Confident	84.4	Confident	68 Å²	68	50.6 Å²	50.6	48%	0.476	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-33.6	177.3	65.3	0	0	0	0	113.2	E145 A149	E145-S147 WeakPolarHBondContact CG-OG 3.39Å; E145-S147 PolarHBondContact O-N 2.92Å; E145-S147 PolarHBondContact OE1-OG 3.15Å; S147-A149 PolarHBondContact O-N 3.48Å
148	S	67.8	Low	84.6	Confident	38 Å²	38	44.8 Å²	44.8	27%	0.266	25%	0.247	S	C	.	.	S	Bend	trans	-76.6	-24.5	-153	-89.7	0	0	0	0	115.4	N127 E145	N127-S148 WeakPolarHBondContact ND2-CB 3.45Å; N127-S148 PolarHBondContact ND2-OG 2.9Å; N127-S148 VanDerWaalsContact ND2-OG 3.09Å; E145-S148 PolarHBondContact O-N 2.81Å
149	A	64.1	Low	84.6	Confident	19 Å²	19	49.3 Å²	49.3	16%	0.157	27%	0.271	C	S	.	.	S	Bend	trans	-93.1	-34.5	-172.3	0	0	0	0	0	113.9	S147 S151 L152 Y153 T158	S147-A149 PolarHBondContact O-N 3.48Å; A149-S151 PolarHBondContact O-N 3.46Å; A149-S151 VanDerWaalsContact O-N 3.08Å; A149-L152 PolarHBondContact O-N 2.74Å; A149-L152 VanDerWaalsContact O-N 3.15Å; A149-Y153 PolarHBondContact O-N 2.82Å; A149-T158 HydrophobicContact CB-CG2 4.31Å
150	R	68.3	Low	84.5	Confident	157 Å²	157	49.5 Å²	49.5	59%	0.592	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-15.6	-170.8	-75.5	179.1	170.5	148.6	-4	114.9
151	S	70.4	Confident	84.4	Confident	98 Å²	98	50.3 Å²	50.3	69%	0.685	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-12.6	179.7	53	0	0	0	0	114.2	A149	A149-S151 PolarHBondContact O-N 3.46Å; A149-S151 VanDerWaalsContact O-N 3.08Å
152	L	82.3	Confident	84.1	Confident	112 Å²	112	51.2 Å²	51.2	59%	0.586	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-20.6	-175.8	-90	68.5	0	0	0	113.7	A149	A149-L152 PolarHBondContact O-N 2.74Å; A149-L152 VanDerWaalsContact O-N 3.15Å
153	Y	89.2	Confident	84	Confident	26 Å²	26	51.5 Å²	51.5	10%	0.102	28%	0.283	C	S	.	.	S	Bend	trans	-135.4	149.8	-169.3	-59.6	-67.4	0	0	0	110.8	A149 V163 R176 M189 I191 Y240	A149-Y153 PolarHBondContact O-N 2.82Å; Y153-V163 HydrophobicContact CD2-CB 3.91Å; Y153-V163 HydrophobicContact CD2-CG1 4Å; Y153-V163 HydrophobicContact CD2-CG2 3.93Å; Y153-V163 HydrophobicContact CE1-CG1 4.44Å; Y153-V163 HydrophobicContact CE2-CB 3.83Å; Y153-V163 HydrophobicContact CE2-CG1 3.47Å; Y153-V163 VanDerWaalsContact CE2-CG1 3.47Å; Y153-V163 HydrophobicContact CE2-CG2 4.28Å; Y153-V163 HydrophobicContact CG-CG2 4.23Å; Y153-R176 PolarHBondContact OH-NE 3.44Å; Y153-R176 PolarHBondContact OH-NH1 2.63Å; Y153-R176 PolarHBondContact OH-NH2 2.74Å; Y153-M189 HydrophobicContact CD1-CE 4.49Å; Y153-M189 HydrophobicContact CE1-CE 4.47Å; Y153-I191 HydrophobicContact CD1-CD1 4.46Å; Y153-I191 HydrophobicContact CE1-CD1 3.71Å; Y153-Y240 HydrophobicContact CD1-CE1 4.14Å
154	P	90.1	Very high	83.8	Confident	30 Å²	30	51.5 Å²	51.5	20%	0.195	28%	0.283	C	S	.	.			trans	-64.1	161	-177.8	27.6	-36.2	0	0	0	112.4	E156 V157 T158 T235 Y240	P154-E156 VanDerWaalsContact C-N 3.29Å; P154-E156 WeakPolarHBondContact CB-OE2 3.43Å; P154-E156 PolarHBondContact O-N 2.83Å; P154-V157 HydrophobicContact CG-CB 4.09Å; P154-V157 HydrophobicContact CG-CG2 3.78Å; P154-V157 PolarHBondContact O-N 2.44Å; P154-T158 PolarHBondContact O-N 3.2Å; P154-T158 PolarHBondContact O-OG1 3.14Å; P154-T235 HydrophobicContact CB-CG2 4.26Å; P154-T235 HydrophobicContact CG-CG2 4.02Å; P154-Y240 WeakPolarHBondContact CD-OH 3.46Å; P154-Y240 HydrophobicContact CG-CD2 4.39Å; P154-Y240 HydrophobicContact CG-CE2 3.73Å
155	A	88.9	Confident	83.6	Confident	50 Å²	50	54.1 Å²	54.1	41%	0.413	29%	0.293	S	S	.	.	H	α-helix	trans	-60.1	-43.2	179	0	0	0	0	0	110.7	V157 T158 D159	A155-V157 CarbonylContact O-C 3.59Å; A155-V157 PolarHBondContact O-N 3.4Å; A155-T158 WeakPolarHBondContact CA-OG1 3.32Å; A155-T158 CarbonylContact O-C 3.55Å; A155-T158 PolarHBondContact O-N 2.64Å; A155-D159 VanDerWaalsContact O-CB 3.27Å; A155-D159 WeakPolarHBondContact O-CB 3.12Å; A155-D159 VanDerWaalsContact O-CG 3.26Å; A155-D159 PolarHBondContact O-N 2.78Å
156	E	90.4	Very high	83.8	Confident	110 Å²	110	54.9 Å²	54.9	51%	0.514	30%	0.297	S	S	.	.	H	α-helix	trans	-55.1	-29.8	179	-58.4	94.1	136.2	0	0	113.3	P154 I233	P154-E156 VanDerWaalsContact C-N 3.29Å; P154-E156 WeakPolarHBondContact CB-OE2 3.43Å; P154-E156 PolarHBondContact O-N 2.83Å; E156-I233 HydrophobicContact CB-CG2 3.6Å; E156-I233 WeakPolarHBondContact O-CD1 3.35Å
157	V	92	Very high	84.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-87.1	-50.6	170.5	171.4	0	0	0	0	111.1	P154 A155 D159 K160 Y161 V163 M189 I233 Y240	P154-V157 HydrophobicContact CG-CB 4.09Å; P154-V157 HydrophobicContact CG-CG2 3.78Å; P154-V157 PolarHBondContact O-N 2.44Å; A155-V157 CarbonylContact O-C 3.59Å; A155-V157 PolarHBondContact O-N 3.4Å; V157-D159 VanDerWaalsContact C-N 3.29Å; V157-D159 PolarHBondContact O-N 3.14Å; V157-K160 PolarHBondContact O-N 2.97Å; V157-Y161 WeakPolarHBondContact O-CB 3.24Å; V157-Y161 PolarHBondContact O-N 2.79Å; V157-V163 HydrophobicContact CG1-CG2 3.8Å; V157-M189 HydrophobicContact CG1-CE 4.12Å; V157-M189 HydrophobicContact CG1-SD 3.64Å; V157-M189 HydrophobicContact CG2-SD 4.35Å; V157-I233 HydrophobicContact CB-CD1 4.44Å; V157-I233 HydrophobicContact CG2-CB 4.28Å; V157-I233 HydrophobicContact CG2-CD1 3.79Å; V157-I233 HydrophobicContact CG2-CG2 4.02Å; V157-Y240 HydrophobicContact CG2-CD1 3.9Å; V157-Y240 HydrophobicContact CG2-CD2 4Å; V157-Y240 HydrophobicContact CG2-CE1 4.41Å; V157-Y240 HydrophobicContact CG2-CG 3.69Å
158	T	90.2	Very high	84.9	Confident	12 Å²	12	54 Å²	54	7%	0.074	29%	0.288	C	S	.	.	H	α-helix	trans	-77.2	-9.1	-170.2	55.2	0	0	0	0	114.9	A149 P154 A155 K181	A149-T158 HydrophobicContact CB-CG2 4.31Å; P154-T158 PolarHBondContact O-N 3.2Å; P154-T158 PolarHBondContact O-OG1 3.14Å; A155-T158 WeakPolarHBondContact CA-OG1 3.32Å; A155-T158 CarbonylContact O-C 3.55Å; A155-T158 PolarHBondContact O-N 2.64Å; T158-K181 VanDerWaalsContact O-CE 3.28Å; T158-K181 WeakPolarHBondContact O-CE 3.35Å; T158-K181 PolarHBondContact O-NZ 3.39Å
159	D	89.1	Confident	85.5	Confident	105 Å²	105	61.5 Å²	61.5	56%	0.561	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-47.1	171.2	-72.4	-27.9	0	0	0	110.9	A155 V157 K181	A155-D159 VanDerWaalsContact O-CB 3.27Å; A155-D159 WeakPolarHBondContact O-CB 3.12Å; A155-D159 VanDerWaalsContact O-CG 3.26Å; A155-D159 PolarHBondContact O-N 2.78Å; V157-D159 VanDerWaalsContact C-N 3.29Å; V157-D159 PolarHBondContact O-N 3.14Å; D159-K181 WeakPolarHBondContact O-CD 3.18Å; D159-K181 VanDerWaalsContact O-CE 3.26Å; D159-K181 WeakPolarHBondContact O-CE 3.45Å; D159-K181 PolarHBondContact O-NZ 3.2Å
160	K	89.9	Confident	85.6	Confident	86 Å²	86	62 Å²	62	37%	0.374	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-40.8	176.8	-68.7	-179.1	176.4	178.8	0	114	V157 K181 D231 I233	V157-K160 PolarHBondContact O-N 2.97Å; K160-K181 WeakPolarHBondContact O-CB 3.28Å; K160-K181 WeakPolarHBondContact O-CG 3.28Å; K160-K181 PolarHBondContact O-N 2.96Å; K160-D231 IonicContact NZ-OD1 2.68Å; K160-D231 IonicContact NZ-OD2 3.9Å; K160-D231 PolarHBondContact NZ-OD2 3.47Å; K160-I233 HydrophobicContact CD-CD1 4.46Å
161	Y	92	Very high	85.2	Confident	18 Å²	18	58.5 Å²	58.5	7%	0.071	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.9	-164.6	-59.5	-67.8	0	0	0	112.8	V157 I178 F179 D180 I233 V242	V157-Y161 WeakPolarHBondContact O-CB 3.24Å; V157-Y161 PolarHBondContact O-N 2.79Å; Y161-I178 HydrophobicContact CD1-CD1 3.7Å; Y161-I178 HydrophobicContact CD2-CD1 4.27Å; Y161-I178 HydrophobicContact CE1-CD1 4.22Å; Y161-I178 HydrophobicContact CG-CD1 3.77Å; Y161-F179 CarbonylContact C-O 3.49Å; Y161-F179 WeakPolarHBondContact CA-O 3.25Å; Y161-D180 HydrophobicContact CD1-CB 4.26Å; Y161-D180 HydrophobicContact CE1-CB 4.06Å; Y161-I233 HydrophobicContact CD2-CD1 4.25Å; Y161-I233 HydrophobicContact CE2-CD1 4.04Å; Y161-V242 HydrophobicContact CD2-CG2 4.33Å; Y161-V242 HydrophobicContact CE2-CG2 3.73Å
162	T	89.6	Confident	85.1	Confident	19 Å²	19	55.3 Å²	55.3	12%	0.117	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	109	166.3	-59.4	0	0	0	0	109	L40 S144 I178 F179	L40-T162 HydrophobicContact CD1-CG2 3.75Å; S144-T162 VanDerWaalsContact OG-CG2 3.29Å; S144-T162 WeakPolarHBondContact OG-CG2 3.38Å; T162-I178 WeakPolarHBondContact O-CA 3.2Å; T162-F179 PolarHBondContact N-O 3.28Å; T162-F179 PolarHBondContact O-N 3.33Å
163	V	90.7	Very high	84.8	Confident	6 Å²	6	51 Å²	51	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	127.8	-178.2	-173.8	0	0	0	0	110.8	Y153 V157 R176 I178 M189	Y153-V163 HydrophobicContact CD2-CB 3.91Å; Y153-V163 HydrophobicContact CD2-CG1 4Å; Y153-V163 HydrophobicContact CD2-CG2 3.93Å; Y153-V163 HydrophobicContact CE1-CG1 4.44Å; Y153-V163 HydrophobicContact CE2-CB 3.83Å; Y153-V163 HydrophobicContact CE2-CG1 3.47Å; Y153-V163 VanDerWaalsContact CE2-CG1 3.47Å; Y153-V163 HydrophobicContact CE2-CG2 4.28Å; Y153-V163 HydrophobicContact CG-CG2 4.23Å; V157-V163 HydrophobicContact CG1-CG2 3.8Å; V163-R176 HydrophobicContact CG1-CB 4.08Å; V163-R176 HydrophobicContact CG1-CG 4.05Å; V163-I178 HydrophobicContact CB-CG2 4.32Å; V163-I178 HydrophobicContact CG1-CG2 4.13Å; V163-I178 HydrophobicContact CG2-CG2 4.12Å; V163-M189 HydrophobicContact CG1-CE 3.92Å; V163-M189 HydrophobicContact CG2-CE 3.78Å
164	S	89.3	Confident	84.7	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.007	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-148.6	-172.6	-173.3	0	0	0	0	111.9	N128 I142 R176 L177	N128-S164 WeakPolarHBondContact OD1-CA 3.41Å; N128-S164 WeakPolarHBondContact OD1-CB 3.42Å; N128-S164 PolarHBondContact OD1-OG 3.16Å; I142-S164 WeakPolarHBondContact CD1-OG 3.21Å; S164-R176 VanDerWaalsContact O-CD 3.25Å; S164-R176 WeakPolarHBondContact O-CD 3.19Å; S164-R176 PolarHBondContact O-NH1 3.32Å; S164-L177 WeakPolarHBondContact CA-O 3.46Å; S164-L177 VanDerWaalsContact CB-O 3.28Å; S164-L177 WeakPolarHBondContact CB-O 3.4Å; S164-L177 PolarHBondContact N-O 2.99Å
165	K	87.4	Confident	84.8	Confident	63 Å²	63	51.9 Å²	51.9	27%	0.274	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	150.4	-176.9	57.8	175.3	179.5	172.3	0	113.1	N128 E130 I142 I167 L177	N128-K165 HydrophobicContact CB-CB 4.16Å; N128-K165 PolarHBondContact OD1-N 2.72Å; N128-K165 VanDerWaalsContact OD1-N 3.11Å; E130-K165 IonicContact OE1-NZ 2.73Å; E130-K165 PolarHBondContact OE1-NZ 3.08Å; I142-K165 HydrophobicContact CD1-CD 4.05Å; I142-K165 HydrophobicContact CD1-CG 4.18Å; K165-I167 HydrophobicContact CG-CG2 4.19Å; K165-L177 HydrophobicContact CD-CD2 4.47Å; K165-L177 HydrophobicContact CG-CB 4.01Å; K165-L177 HydrophobicContact CG-CD2 4.14Å; K165-L177 PolarHBondContact O-N 3.19Å
166	H	89.8	Confident	85	Confident	92 Å²	92	51.8 Å²	51.8	43%	0.426	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	132.7	162.6	176.9	-98.4	0	0	0	110	G168 E174	H166-G168 PolarHBondContact NE2-O 2.91Å; H166-G168 VanDerWaalsContact NE2-O 3.12Å; H166-E174 IonicContact CD2-OE1 3.1Å; H166-E174 PolarHBondContact CD2-OE1 3.44Å
167	I	89	Confident	85.1	Confident	69 Å²	69	46.8 Å²	46.8	35%	0.354	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-18.9	177.2	61.1	175.9	0	0	0	113.5	K165 V175 L177 A188 L245	K165-I167 HydrophobicContact CG-CG2 4.19Å; I167-V175 HydrophobicContact CD1-CG1 3.94Å; I167-V175 HydrophobicContact CG1-CB 4.16Å; I167-V175 HydrophobicContact CG1-CG1 3.81Å; I167-V175 WeakPolarHBondContact CG1-O 3.49Å; I167-V175 PolarHBondContact N-O 3.14Å; I167-L177 HydrophobicContact CG2-CB 3.79Å; I167-A188 HydrophobicContact CD1-CB 3.95Å; I167-L245 HydrophobicContact CD1-CD1 3.75Å
168	G	82.6	Confident	85.2	Confident	24 Å²	24	46.8 Å²	46.8	25%	0.247	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	168.2	175.5	0	0	0	0	0	112.7	H166 V175	H166-G168 PolarHBondContact NE2-O 2.91Å; H166-G168 VanDerWaalsContact NE2-O 3.12Å; G168-V175 PolarHBondContact N-O 3.39Å; G168-V175 WeakPolarHBondContact O-CA 3.39Å; G168-V175 WeakPolarHBondContact O-CB 3.39Å; G168-V175 PolarHBondContact O-N 3.08Å
169	R	79.7	Confident	85.3	Confident	194 Å²	194	46.2 Å²	46.2	73%	0.732	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	115.7	172.8	177.7	179.9	-69.8	-160.2	-4.6	108.5	G173	R169-G173 CarbonylContact C-O 3.58Å; R169-G173 WeakPolarHBondContact CA-O 3.2Å
170	G	66.4	Low	85.3	Confident	30 Å²	30	42.1 Å²	42.1	31%	0.309	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	175.7	172.6	0	0	0	0	0	111.6	F172 G173	G170-F172 PolarHBondContact O-N 2.98Å; G170-G173 PolarHBondContact N-O 2.08Å; G170-G173 PolarHBondContact O-N 2.73Å
171	A	61	Low	85.1	Confident	84 Å²	84	41.4 Å²	41.4	69%	0.694	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-33.2	177	0	0	0	0	0	112.9
172	F	67.1	Low	84.8	Confident	30 Å²	30	47.8 Å²	47.8	13%	0.132	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.5	-176	-51.2	-71.8	0	0	0	114.6	G170 V192 D310 V313 M322	G170-F172 PolarHBondContact O-N 2.98Å; F172-V192 HydrophobicContact CB-CG2 4.08Å; F172-D310 WeakPolarHBondContact CD2-OD2 3.38Å; F172-V313 HydrophobicContact CG-CG1 4.39Å; F172-M322 HydrophobicContact CD1-CE 3.86Å; F172-M322 HydrophobicContact CD1-SD 3.94Å; F172-M322 HydrophobicContact CE1-CE 3.34Å; F172-M322 HydrophobicContact CE1-SD 3.84Å; F172-M322 HydrophobicContact CZ-CE 3.9Å
173	G	75.9	Confident	84.6	Confident	22 Å²	22	48.7 Å²	48.7	23%	0.227	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.6	-155	177.6	0	0	0	0	0	115.8	R169 G170 I191	R169-G173 CarbonylContact C-O 3.58Å; R169-G173 WeakPolarHBondContact CA-O 3.2Å; G170-G173 PolarHBondContact N-O 2.08Å; G170-G173 PolarHBondContact O-N 2.73Å; G173-I191 WeakPolarHBondContact CA-O 3.28Å
174	E	87.5	Confident	84.1	Confident	49 Å²	49	49.7 Å²	49.7	23%	0.229	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	143.9	-168.1	-165.2	178.4	155.9	0	0	112.2	H166 R176 K190 I191	H166-E174 IonicContact CD2-OE1 3.1Å; H166-E174 PolarHBondContact CD2-OE1 3.44Å; E174-R176 IonicContact OE1-CZ 2.82Å; E174-R176 IonicContact OE1-NE 2.72Å; E174-R176 PolarHBondContact OE1-NE 3.34Å; E174-R176 IonicContact OE1-NH2 3.43Å; E174-R176 PolarHBondContact OE1-NH2 3.36Å; E174-K190 CarbonylContact O-C 3.25Å; E174-K190 WeakPolarHBondContact O-CA 3.43Å; E174-I191 HydrophobicContact CB-CB 4.5Å; E174-I191 PolarHBondContact N-O 2.87Å; E174-I191 PolarHBondContact O-N 3.06Å
175	V	91.4	Very high	84	Confident	26 Å²	26	53.6 Å²	53.6	16%	0.158	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.8	174.3	-164.3	0	0	0	0	110.5	I167 G168 A188 M189 K190	I167-V175 HydrophobicContact CD1-CG1 3.94Å; I167-V175 HydrophobicContact CG1-CB 4.16Å; I167-V175 HydrophobicContact CG1-CG1 3.81Å; I167-V175 WeakPolarHBondContact CG1-O 3.49Å; I167-V175 PolarHBondContact N-O 3.14Å; G168-V175 PolarHBondContact N-O 3.39Å; G168-V175 WeakPolarHBondContact O-CA 3.39Å; G168-V175 WeakPolarHBondContact O-CB 3.39Å; G168-V175 PolarHBondContact O-N 3.08Å; V175-A188 HydrophobicContact CG1-CB 4.18Å; V175-M189 CarbonylContact C-O 3.6Å; V175-M189 WeakPolarHBondContact CA-O 3.31Å; V175-K190 HydrophobicContact CG2-CB 4.5Å; V175-K190 HydrophobicContact CG2-CG 4.3Å
176	R	93.3	Very high	84.2	Confident	48 Å²	48	53.1 Å²	53.1	18%	0.181	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144	-178.4	-74.4	-79.2	168	137.3	8.5	110.9	Y153 V163 S164 E174 I178 A188 M189 I191	Y153-R176 PolarHBondContact OH-NE 3.44Å; Y153-R176 PolarHBondContact OH-NH1 2.63Å; Y153-R176 PolarHBondContact OH-NH2 2.74Å; V163-R176 HydrophobicContact CG1-CB 4.08Å; V163-R176 HydrophobicContact CG1-CG 4.05Å; S164-R176 VanDerWaalsContact O-CD 3.25Å; S164-R176 WeakPolarHBondContact O-CD 3.19Å; S164-R176 PolarHBondContact O-NH1 3.32Å; E174-R176 IonicContact OE1-CZ 2.82Å; E174-R176 IonicContact OE1-NE 2.72Å; E174-R176 PolarHBondContact OE1-NE 3.34Å; E174-R176 IonicContact OE1-NH2 3.43Å; E174-R176 PolarHBondContact OE1-NH2 3.36Å; R176-I178 HydrophobicContact CB-CG2 4.29Å; R176-A188 CarbonylContact O-C 3.58Å; R176-A188 WeakPolarHBondContact O-CA 3.44Å; R176-M189 HydrophobicContact CB-CE 4.37Å; R176-M189 PolarHBondContact N-O 3.06Å; R176-M189 PolarHBondContact O-N 3.01Å; R176-I191 HydrophobicContact CG-CD1 4.29Å
177	L	93	Very high	84.4	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	134.4	156.3	177.2	63	0	0	0	107.5	S164 K165 I167 F179 K186 L245	S164-L177 WeakPolarHBondContact CA-O 3.46Å; S164-L177 VanDerWaalsContact CB-O 3.28Å; S164-L177 WeakPolarHBondContact CB-O 3.4Å; S164-L177 PolarHBondContact N-O 2.99Å; K165-L177 HydrophobicContact CD-CD2 4.47Å; K165-L177 HydrophobicContact CG-CB 4.01Å; K165-L177 HydrophobicContact CG-CD2 4.14Å; K165-L177 PolarHBondContact O-N 3.19Å; I167-L177 HydrophobicContact CG2-CB 3.79Å; L177-F179 HydrophobicContact CD1-CE2 4.44Å; L177-F179 HydrophobicContact CD2-CE2 3.66Å; L177-F179 HydrophobicContact CD2-CZ 3.85Å; L177-F179 HydrophobicContact CG-CD2 4.44Å; L177-F179 HydrophobicContact CG-CE2 3.79Å; L177-F179 HydrophobicContact CG-CZ 4.26Å; L177-K186 HydrophobicContact CD1-CB 4.22Å; L177-K186 HydrophobicContact CD1-CG 4.38Å; L177-L245 HydrophobicContact CD1-CD2 3.79Å
178	I	94.2	Very high	84.7	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	158.5	170.5	64.3	163.5	0	0	0	109.7	Y161 T162 V163 R176 Y187 M189 V242	Y161-I178 HydrophobicContact CD1-CD1 3.7Å; Y161-I178 HydrophobicContact CD2-CD1 4.27Å; Y161-I178 HydrophobicContact CE1-CD1 4.22Å; Y161-I178 HydrophobicContact CG-CD1 3.77Å; T162-I178 WeakPolarHBondContact O-CA 3.2Å; V163-I178 HydrophobicContact CB-CG2 4.32Å; V163-I178 HydrophobicContact CG1-CG2 4.13Å; V163-I178 HydrophobicContact CG2-CG2 4.12Å; R176-I178 HydrophobicContact CB-CG2 4.29Å; I178-Y187 WeakPolarHBondContact CG1-O 3.48Å; I178-Y187 PolarHBondContact N-O 2.71Å; I178-Y187 PolarHBondContact O-N 3.35Å; I178-M189 HydrophobicContact CB-CB 4.38Å; I178-M189 HydrophobicContact CD1-CB 3.8Å; I178-M189 HydrophobicContact CD1-CG 4.5Å; I178-M189 HydrophobicContact CG1-CB 4.02Å; I178-M189 HydrophobicContact CG2-CB 3.44Å; I178-M189 VanDerWaalsContact CG2-CB 3.44Å; I178-M189 HydrophobicContact CG2-CE 3.96Å; I178-M189 HydrophobicContact CG2-CG 4.39Å; I178-M189 HydrophobicContact CG2-SD 4.18Å; I178-V242 HydrophobicContact CD1-CB 4.46Å; I178-V242 HydrophobicContact CD1-CG1 3.94Å; I178-V242 HydrophobicContact CD1-CG2 3.9Å
179	F	91.7	Very high	85.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.2	172.8	-65.6	-98.5	0	0	0	109.1	L40 P41 L42 I142 Y161 T162 L177 E185 K186	L40-F179 HydrophobicContact CB-CD1 3.89Å; L40-F179 HydrophobicContact CB-CD2 4.17Å; L40-F179 HydrophobicContact CB-CE1 3.78Å; L40-F179 HydrophobicContact CB-CE2 4.08Å; L40-F179 HydrophobicContact CB-CG 4.06Å; L40-F179 HydrophobicContact CB-CZ 3.88Å; L40-F179 HydrophobicContact CD1-CB 4.19Å; L40-F179 HydrophobicContact CD1-CD2 3.57Å; L40-F179 HydrophobicContact CD1-CE2 4.01Å; L40-F179 HydrophobicContact CD1-CG 3.85Å; L40-F179 HydrophobicContact CD2-CB 3.93Å; L40-F179 HydrophobicContact CD2-CD1 4.21Å; L40-F179 HydrophobicContact CD2-CG 3.99Å; L40-F179 HydrophobicContact CG-CD1 4.43Å; L40-F179 HydrophobicContact CG-CD2 4.3Å; L40-F179 HydrophobicContact CG-CG 4.18Å; P41-F179 WeakPolarHBondContact O-CE1 3.44Å; L42-F179 HydrophobicContact CD2-CZ 4.35Å; I142-F179 HydrophobicContact CG2-CE2 3.64Å; I142-F179 HydrophobicContact CG2-CZ 3.49Å; I142-F179 VanDerWaalsContact CG2-CZ 3.49Å; Y161-F179 CarbonylContact C-O 3.49Å; Y161-F179 WeakPolarHBondContact CA-O 3.25Å; T162-F179 PolarHBondContact N-O 3.28Å; T162-F179 PolarHBondContact O-N 3.33Å; L177-F179 HydrophobicContact CD1-CE2 4.44Å; L177-F179 HydrophobicContact CD2-CE2 3.66Å; L177-F179 HydrophobicContact CD2-CZ 3.85Å; L177-F179 HydrophobicContact CG-CD2 4.44Å; L177-F179 HydrophobicContact CG-CE2 3.79Å; L177-F179 HydrophobicContact CG-CZ 4.26Å; F179-E185 WeakPolarHBondContact CA-O 3.5Å; F179-K186 HydrophobicContact CD1-CG 4.05Å; F179-K186 HydrophobicContact CE1-CD 4.25Å; F179-K186 HydrophobicContact CE1-CG 3.51Å; F179-K186 HydrophobicContact CZ-CG 4.11Å
180	D	89.4	Confident	85.8	Confident	19 Å²	19	37.4 Å²	37.4	10%	0.102	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.6	168	-178.7	-82.6	0	0	0	110	Y161 E182 C183 C184 E185 Y187	Y161-D180 HydrophobicContact CD1-CB 4.26Å; Y161-D180 HydrophobicContact CE1-CB 4.06Å; D180-E182 WeakPolarHBondContact OD1-CA 3.47Å; D180-E182 PolarHBondContact OD1-N 3.08Å; D180-C183 PolarHBondContact OD1-N 3.1Å; D180-C183 PolarHBondContact OD1-SG 2.94Å; D180-C184 WeakPolarHBondContact O-CA 3.4Å; D180-C184 PolarHBondContact O-N 3.28Å; D180-E185 PolarHBondContact N-O 2.89Å; D180-Y187 HydrophobicContact CB-CD2 4.25Å; D180-Y187 HydrophobicContact CB-CE2 3.77Å
181	K	86.2	Confident	86.9	Confident	71 Å²	71	36.6 Å²	36.6	31%	0.309	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-21.4	-175.9	-73	-169.8	-159.7	164.6	0	114.9	T158 D159 K160	T158-K181 VanDerWaalsContact O-CE 3.28Å; T158-K181 WeakPolarHBondContact O-CE 3.35Å; T158-K181 PolarHBondContact O-NZ 3.39Å; D159-K181 WeakPolarHBondContact O-CD 3.18Å; D159-K181 VanDerWaalsContact O-CE 3.26Å; D159-K181 WeakPolarHBondContact O-CE 3.45Å; D159-K181 PolarHBondContact O-NZ 3.2Å; K160-K181 WeakPolarHBondContact O-CB 3.28Å; K160-K181 WeakPolarHBondContact O-CG 3.28Å; K160-K181 PolarHBondContact O-N 2.96Å
182	E	85.9	Confident	88	Confident	151 Å²	151	32.7 Å²	32.7	71%	0.706	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-48.2	-179.1	-62.7	-174.5	-170.2	0	0	110.5	D180	D180-E182 WeakPolarHBondContact OD1-CA 3.47Å; D180-E182 PolarHBondContact OD1-N 3.08Å
183	C	84.4	Confident	88.7	Confident	39 Å²	39	36.1 Å²	36.1	26%	0.264	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-7.7	-177	63.6	0	0	0	0	115	D180 E185 C454	D180-C183 PolarHBondContact OD1-N 3.1Å; D180-C183 PolarHBondContact OD1-SG 2.94Å; C183-E185 PolarHBondContact O-N 2.92Å; C183-E185 VanDerWaalsContact O-N 3.16Å; C183-C454 HydrophobicContact CB-CB 4.24Å
184	C	81.3	Confident	88.7	Confident	27 Å²	27	38.1 Å²	38.1	18%	0.182	18%	0.183	C	C	.	.			trans	60.8	13.9	-177.5	-63.1	0	0	0	0	115.5	P41 S48 D180	P41-C184 HydrophobicContact CG-CB 4.45Å; S48-C184 WeakPolarHBondContact CB-SG 3.38Å; D180-C184 WeakPolarHBondContact O-CA 3.4Å; D180-C184 PolarHBondContact O-N 3.28Å
185	E	86.6	Confident	87.4	Confident	83 Å²	83	42.1 Å²	42.1	39%	0.388	20%	0.199	S	C	.	.			trans	-74.8	152.6	178.8	-78.8	-62.7	165.7	0	0	113.6	F179 D180 C183 Y187	F179-E185 WeakPolarHBondContact CA-O 3.5Å; D180-E185 PolarHBondContact N-O 2.89Å; C183-E185 PolarHBondContact O-N 2.92Å; C183-E185 VanDerWaalsContact O-N 3.16Å; E185-Y187 HydrophobicContact CB-CE2 3.68Å; E185-Y187 WeakPolarHBondContact O-CD2 3.27Å; E185-Y187 WeakPolarHBondContact O-CE2 3.46Å
186	K	91.7	Very high	85.6	Confident	53 Å²	53	46.7 Å²	46.7	23%	0.23	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127.6	-175.7	-67.8	-174.4	-60.5	175.6	0	112.2	L42 L177 F179 L245 E247	L42-K186 PolarHBondContact O-NZ 2.68Å; L177-K186 HydrophobicContact CD1-CB 4.22Å; L177-K186 HydrophobicContact CD1-CG 4.38Å; F179-K186 HydrophobicContact CD1-CG 4.05Å; F179-K186 HydrophobicContact CE1-CD 4.25Å; F179-K186 HydrophobicContact CE1-CG 3.51Å; F179-K186 HydrophobicContact CZ-CG 4.11Å; K186-L245 HydrophobicContact CB-CD2 3.81Å; K186-L245 HydrophobicContact CD-CD2 4.14Å; K186-E247 IonicContact NZ-OE1 2.72Å; K186-E247 PolarHBondContact NZ-OE1 2.9Å
187	Y	94.9	Very high	83.7	Confident	35 Å²	35	45.6 Å²	45.6	14%	0.137	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	163.5	173.4	-55.9	-91.2	0	0	0	111.6	I178 D180 E185 Y230 V242 L243	I178-Y187 WeakPolarHBondContact CG1-O 3.48Å; I178-Y187 PolarHBondContact N-O 2.71Å; I178-Y187 PolarHBondContact O-N 3.35Å; D180-Y187 HydrophobicContact CB-CD2 4.25Å; D180-Y187 HydrophobicContact CB-CE2 3.77Å; E185-Y187 HydrophobicContact CB-CE2 3.68Å; E185-Y187 WeakPolarHBondContact O-CD2 3.27Å; E185-Y187 WeakPolarHBondContact O-CE2 3.46Å; Y187-Y230 AromaticContact CD1-CD2 3.62Å; Y187-Y230 HydrophobicContact CD1-CD2 3.62Å; Y187-Y230 AromaticContact CD1-CE2 3.73Å; Y187-Y230 HydrophobicContact CD1-CE2 3.73Å; Y187-Y230 HydrophobicContact CD1-CG 4.33Å; Y187-Y230 HydrophobicContact CE1-CD1 4.42Å; Y187-Y230 AromaticContact CE1-CD2 3.72Å; Y187-Y230 HydrophobicContact CE1-CD2 3.72Å; Y187-Y230 HydrophobicContact CE1-CE1 4.41Å; Y187-Y230 AromaticContact CE1-CE2 3.7Å; Y187-Y230 HydrophobicContact CE1-CE2 3.7Å; Y187-Y230 HydrophobicContact CE1-CG 4.08Å; Y187-V242 HydrophobicContact CD1-CG1 4.19Å; Y187-V242 HydrophobicContact CG-CG1 4.01Å; Y187-L243 WeakPolarHBondContact CB-O 3.35Å
188	A	94.3	Very high	81.4	Confident	8 Å²	8	48 Å²	48	7%	0.066	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.6	171.6	0	0	0	0	0	109.8	I167 V175 R176 L243 L245	I167-A188 HydrophobicContact CD1-CB 3.95Å; V175-A188 HydrophobicContact CG1-CB 4.18Å; R176-A188 CarbonylContact O-C 3.58Å; R176-A188 WeakPolarHBondContact O-CA 3.44Å; A188-L243 HydrophobicContact CB-CB 4.36Å; A188-L243 PolarHBondContact N-O 3.43Å; A188-L243 WeakPolarHBondContact O-CA 3.5Å; A188-L243 VanDerWaalsContact O-CB 3.31Å; A188-L243 WeakPolarHBondContact O-CB 3.34Å; A188-L243 PolarHBondContact O-N 2.96Å; A188-L245 HydrophobicContact CB-CD1 4.15Å
189	M	94.4	Very high	79	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.9	174.5	-174.2	177.8	66.2	0	0	110.6	Y153 V157 V163 V175 R176 I178 I191 Y240 M241	Y153-M189 HydrophobicContact CD1-CE 4.49Å; Y153-M189 HydrophobicContact CE1-CE 4.47Å; V157-M189 HydrophobicContact CG1-CE 4.12Å; V157-M189 HydrophobicContact CG1-SD 3.64Å; V157-M189 HydrophobicContact CG2-SD 4.35Å; V163-M189 HydrophobicContact CG1-CE 3.92Å; V163-M189 HydrophobicContact CG2-CE 3.78Å; V175-M189 CarbonylContact C-O 3.6Å; V175-M189 WeakPolarHBondContact CA-O 3.31Å; R176-M189 HydrophobicContact CB-CE 4.37Å; R176-M189 PolarHBondContact N-O 3.06Å; R176-M189 PolarHBondContact O-N 3.01Å; I178-M189 HydrophobicContact CB-CB 4.38Å; I178-M189 HydrophobicContact CD1-CB 3.8Å; I178-M189 HydrophobicContact CD1-CG 4.5Å; I178-M189 HydrophobicContact CG1-CB 4.02Å; I178-M189 HydrophobicContact CG2-CB 3.44Å; I178-M189 VanDerWaalsContact CG2-CB 3.44Å; I178-M189 HydrophobicContact CG2-CE 3.96Å; I178-M189 HydrophobicContact CG2-CG 4.39Å; I178-M189 HydrophobicContact CG2-SD 4.18Å; M189-I191 HydrophobicContact CE-CD1 3.98Å; M189-I191 HydrophobicContact CE-CG1 4.13Å; M189-Y240 HydrophobicContact CE-CD1 4.12Å; M189-Y240 HydrophobicContact SD-CD1 3.85Å; M189-Y240 HydrophobicContact SD-CG 4.43Å; M189-M241 CarbonylContact C-O 3.51Å; M189-M241 WeakPolarHBondContact CA-O 3.45Å
190	K	91.2	Very high	76.8	Confident	5 Å²	5	56.6 Å²	56.6	2%	0.022	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127	174.4	-176.1	179.4	-175.5	-175.7	0	110.7	E174 V175 V192 Y240 M241 L243 D310	E174-K190 CarbonylContact O-C 3.25Å; E174-K190 WeakPolarHBondContact O-CA 3.43Å; V175-K190 HydrophobicContact CG2-CB 4.5Å; V175-K190 HydrophobicContact CG2-CG 4.3Å; K190-V192 HydrophobicContact CG-CG2 4.35Å; K190-Y240 WeakPolarHBondContact O-CA 3.12Å; K190-M241 HydrophobicContact CB-CB 4.49Å; K190-M241 HydrophobicContact CD-CE 4.02Å; K190-M241 HydrophobicContact CG-CE 4.26Å; K190-M241 PolarHBondContact N-O 3.08Å; K190-M241 PolarHBondContact O-N 3.04Å; K190-L243 HydrophobicContact CB-CD1 3.9Å; K190-L243 HydrophobicContact CD-CD1 4.32Å; K190-D310 IonicContact NZ-OD1 2.69Å; K190-D310 PolarHBondContact NZ-OD1 2.75Å; K190-D310 IonicContact NZ-OD2 3.73Å; K190-D310 PolarHBondContact NZ-OD2 3.37Å
191	I	90.1	Very high	74.6	Confident	13 Å²	13	59 Å²	59	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	113	-174.6	-46.3	177.7	0	0	0	109.1	Y153 G173 E174 R176 M189 A238 Y240	Y153-I191 HydrophobicContact CD1-CD1 4.46Å; Y153-I191 HydrophobicContact CE1-CD1 3.71Å; G173-I191 WeakPolarHBondContact CA-O 3.28Å; E174-I191 HydrophobicContact CB-CB 4.5Å; E174-I191 PolarHBondContact N-O 2.87Å; E174-I191 PolarHBondContact O-N 3.06Å; R176-I191 HydrophobicContact CG-CD1 4.29Å; M189-I191 HydrophobicContact CE-CD1 3.98Å; M189-I191 HydrophobicContact CE-CG1 4.13Å; I191-A238 HydrophobicContact CG2-CB 4.17Å; I191-Y240 HydrophobicContact CB-CD1 4.36Å; I191-Y240 HydrophobicContact CB-CE1 4.43Å; I191-Y240 HydrophobicContact CD1-CD1 4.35Å; I191-Y240 HydrophobicContact CD1-CE1 4.17Å; I191-Y240 HydrophobicContact CG1-CD1 3.89Å; I191-Y240 HydrophobicContact CG1-CE1 4.1Å; I191-Y240 HydrophobicContact CG2-CD1 3.94Å; I191-Y240 HydrophobicContact CG2-CE1 3.62Å
192	V	84	Confident	72.5	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.7	179.3	178.7	0	0	0	0	109.3	F172 K190 F197 A238 M239 M241	F172-V192 HydrophobicContact CB-CG2 4.08Å; K190-V192 HydrophobicContact CG-CG2 4.35Å; V192-F197 HydrophobicContact CG1-CE2 3.76Å; V192-F197 HydrophobicContact CG1-CZ 4.47Å; V192-A238 CarbonylContact O-C 3.42Å; V192-A238 VanDerWaalsContact O-CA 3.24Å; V192-A238 WeakPolarHBondContact O-CA 3.36Å; V192-A238 WeakPolarHBondContact O-CB 3.25Å; V192-M239 PolarHBondContact N-O 3.49Å; V192-M239 PolarHBondContact O-N 3.36Å; V192-M241 HydrophobicContact CB-CE 4.39Å; V192-M241 HydrophobicContact CG2-CE 3.47Å; V192-M241 VanDerWaalsContact CG2-CE 3.47Å
193	Q	81	Confident	70.5	Confident	102 Å²	102	65.4 Å²	65.4	48%	0.477	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.7	-174.9	-63.8	-174.8	26.6	0	0	111.9	K195 H196 F197	Q193-K195 PolarHBondContact O-N 3.42Å; Q193-H196 PolarHBondContact O-N 2.77Å; Q193-F197 WeakPolarHBondContact O-CD2 3.33Å
194	K	75.8	Confident	68.4	Low	64 Å²	64	65.7 Å²	65.7	28%	0.278	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-65.1	-23.7	-178.8	-71.6	-176.7	171	178.7	0	113.8	H196 F197 S198 D234 T235 E237	K194-H196 PolarHBondContact O-N 2.96Å; K194-F197 CarbonylContact O-C 3.58Å; K194-F197 WeakPolarHBondContact O-CA 3.03Å; K194-F197 PolarHBondContact O-N 3.16Å; K194-S198 PolarHBondContact O-N 3.45Å; K194-S198 VanDerWaalsContact O-N 3.17Å; K194-D234 WeakPolarHBondContact CE-OD1 3.48Å; K194-D234 IonicContact NZ-OD1 2.68Å; K194-D234 PolarHBondContact NZ-OD1 3.4Å; K194-D234 IonicContact NZ-OD2 2.72Å; K194-D234 PolarHBondContact NZ-OD2 3.3Å; K194-T235 WeakPolarHBondContact CD-O 3.03Å; K194-T235 WeakPolarHBondContact CE-O 3.43Å; K194-T235 PolarHBondContact NZ-O 3.12Å; K194-E237 PolarHBondContact N-O 3.4Å
195	K	61	Low	66.7	Low	133 Å²	133	74.1 Å²	74.1	58%	0.578	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-58.7	-28.6	178.6	-79.9	166.4	165.1	153.9	0	114.2	Q193 F197 S198 E237	Q193-K195 PolarHBondContact O-N 3.42Å; K195-F197 PolarHBondContact O-N 2.95Å; K195-S198 PolarHBondContact O-OG 2.78Å; K195-E237 WeakPolarHBondContact CE-OE2 3.31Å; K195-E237 IonicContact NZ-OE2 3.05Å; K195-E237 PolarHBondContact NZ-OE2 3.24Å
196	H	54.3	Low	64.8	Low	122 Å²	122	74 Å²	74	57%	0.565	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-71.8	-17.6	173.5	-74.8	-82.7	0	0	0	113.2	Q193 K194	Q193-H196 PolarHBondContact O-N 2.77Å; K194-H196 PolarHBondContact O-N 2.96Å
197	F	53	Low	62.6	Low	25 Å²	25	74.6 Å²	74.6	11%	0.11	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-1.4	-174	-50.2	-70.3	0	0	0	113.5	V192 Q193 K194 K195 L199 V317 T321 M322	V192-F197 HydrophobicContact CG1-CE2 3.76Å; V192-F197 HydrophobicContact CG1-CZ 4.47Å; Q193-F197 WeakPolarHBondContact O-CD2 3.33Å; K194-F197 CarbonylContact O-C 3.58Å; K194-F197 WeakPolarHBondContact O-CA 3.03Å; K194-F197 PolarHBondContact O-N 3.16Å; K195-F197 PolarHBondContact O-N 2.95Å; F197-L199 PolarHBondContact O-N 2.84Å; F197-V317 HydrophobicContact CB-CG1 3.62Å; F197-V317 HydrophobicContact CD1-CG1 3.38Å; F197-V317 HydrophobicContact CD2-CG1 3.46Å; F197-V317 VanDerWaalsContact CD2-CG1 3.46Å; F197-V317 HydrophobicContact CE1-CG1 3.84Å; F197-V317 HydrophobicContact CE2-CG1 3.92Å; F197-V317 HydrophobicContact CG-CG1 3.16Å; F197-V317 HydrophobicContact CZ-CG1 4.08Å; F197-T321 HydrophobicContact CB-CG2 4.29Å; F197-T321 HydrophobicContact CD1-CG2 4.4Å; F197-M322 HydrophobicContact CD1-CG 4.43Å; F197-M322 HydrophobicContact CD1-SD 4.44Å; F197-M322 HydrophobicContact CE1-CG 4.12Å; F197-M322 HydrophobicContact CE1-SD 3.61Å; F197-M322 HydrophobicContact CZ-SD 3.83Å
198	S	44.7	Very low	60.5	Low	57 Å²	57	78.8 Å²	78.8	40%	0.399	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	15.4	-175.1	62.2	0	0	0	0	115.4	K194 K195 S201	K194-S198 PolarHBondContact O-N 3.45Å; K194-S198 VanDerWaalsContact O-N 3.17Å; K195-S198 PolarHBondContact O-OG 2.78Å; S198-S201 WeakPolarHBondContact CA-OG 3.26Å; S198-S201 PolarHBondContact O-OG 2.98Å
199	L	43.7	Very low	58.6	Low	150 Å²	150	82.3 Å²	82.3	79%	0.785	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-40.7	174.4	-134.5	78.2	0	0	0	111.2	F197 T321	F197-L199 PolarHBondContact O-N 2.84Å; L199-T321 HydrophobicContact CB-CG2 4.33Å
200	A	44.8	Very low	57	Low	29 Å²	29	84.5 Å²	84.5	24%	0.24	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-77.7	-26.4	177.7	0	0	0	0	0	113.6	K202 L203 D318 T321	A200-K202 PolarHBondContact O-N 2.96Å; A200-L203 PolarHBondContact O-N 3.32Å; A200-D318 WeakPolarHBondContact CB-OD2 3.48Å; A200-T321 WeakPolarHBondContact CB-OG1 3.35Å
201	S	43.5	Very low	55.7	Low	70 Å²	70	85.7 Å²	85.7	49%	0.49	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-64.9	4.9	-178.7	69.6	0	0	0	0	115.3	S198	S198-S201 WeakPolarHBondContact CA-OG 3.26Å; S198-S201 PolarHBondContact O-OG 2.98Å
202	K	41.9	Very low	54.7	Low	186 Å²	186	88 Å²	88	81%	0.809	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-86.2	-17.8	168	-75	-176.2	175.7	177.6	0	114.1	A200	A200-K202 PolarHBondContact O-N 2.96Å
203	L	43.4	Very low	54.1	Low	171 Å²	171	91 Å²	91	90%	0.895	51%	0.51	S	S	*	.	S	Bend	trans	-95.7	-15	-178.4	-94.4	67.6	0	0	0	114	A200	A200-L203 PolarHBondContact O-N 3.32Å
204	G	41.5	Very low	53.7	Low	44 Å²	44	88.7 Å²	88.7	45%	0.454	50%	0.499	S	S	.	.			trans	-176.2	153.6	172.8	0	0	0	0	0	111.9	P206	G204-P206 WeakPolarHBondContact O-CD 3.46Å
205	K	44.1	Very low	53.8	Low	204 Å²	204	86.9 Å²	86.9	89%	0.887	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-77.8	120.7	160.8	-73.9	-175.1	176.2	-176.5	0	107.4	S207	K205-S207 PolarHBondContact O-N 3.45Å
206	P	48.3	Very low	54.8	Low	82 Å²	82	83.6 Å²	83.6	53%	0.532	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-56.9	131	158.2	25.9	-32.4	0	0	0	107.6	G204 T208 I211	G204-P206 WeakPolarHBondContact O-CD 3.46Å; P206-T208 PolarHBondContact O-N 2.86Å; P206-I211 HydrophobicContact CG-CD1 4.37Å
207	S	44.4	Very low	56.1	Low	64 Å²	64	81.2 Å²	81.2	45%	0.448	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-62.1	133.1	178.8	56.6	0	0	0	0	109.6	K205 S209 S210	K205-S207 PolarHBondContact O-N 3.45Å; S207-S209 WeakPolarHBondContact CB-OG 3.22Å; S207-S209 PolarHBondContact O-N 3.3Å; S207-S209 PolarHBondContact OG-OG 3.49Å; S207-S210 PolarHBondContact O-N 3Å; S207-S210 PolarHBondContact O-OG 3.09Å; S207-S210 PolarHBondContact OG-OG 2.91Å
208	T	51.7	Low	57.6	Low	124 Å²	124	80.3 Å²	80.3	76%	0.761	47%	0.469	S	S	*	.	H	α-helix	trans	-56.3	-26.7	179.3	46.6	0	0	0	0	112.8	P206 S210 A212	P206-T208 PolarHBondContact O-N 2.86Å; T208-S210 PolarHBondContact O-N 2.87Å; T208-A212 WeakPolarHBondContact O-CB 3.35Å; T208-A212 PolarHBondContact O-N 2.96Å
209	S	53.6	Low	59.5	Low	81 Å²	81	79.5 Å²	79.5	57%	0.566	46%	0.462	S	S	*	.	H	α-helix	trans	-62.1	-31.7	172.3	45.5	0	0	0	0	115.2	S207 S213	S207-S209 WeakPolarHBondContact CB-OG 3.22Å; S207-S209 PolarHBondContact O-N 3.3Å; S207-S209 PolarHBondContact OG-OG 3.49Å; S209-S213 WeakPolarHBondContact O-CB 3.45Å; S209-S213 PolarHBondContact O-N 3.41Å; S209-S213 VanDerWaalsContact O-N 3.14Å
210	S	60.8	Low	61.7	Low	47 Å²	47	80.7 Å²	80.7	33%	0.329	46%	0.456	S	S	.	.	H	α-helix	trans	-75.1	-46.5	178.6	61.5	0	0	0	0	111	S207 T208 A212 S213 E214	S207-S210 PolarHBondContact O-N 3Å; S207-S210 PolarHBondContact O-OG 3.09Å; S207-S210 PolarHBondContact OG-OG 2.91Å; T208-S210 PolarHBondContact O-N 2.87Å; S210-A212 VanDerWaalsContact C-N 3.32Å; S210-A212 PolarHBondContact O-N 2.68Å; S210-S213 PolarHBondContact O-N 2.87Å; S210-S213 VanDerWaalsContact O-N 3.12Å; S210-E214 PolarHBondContact O-N 2.86Å
211	I	64.6	Low	63.9	Low	30 Å²	30	79.6 Å²	79.6	15%	0.154	45%	0.446	C	S	.	.	H	α-helix	trans	-59.5	-44.5	176	-57.4	175.6	0	0	0	110.3	P206 S213 E214 V215 M239 L316	P206-I211 HydrophobicContact CG-CD1 4.37Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 2.93Å; I211-E214 PolarHBondContact O-N 2.8Å; I211-V215 HydrophobicContact CG2-CG2 4.37Å; I211-V215 WeakPolarHBondContact O-CG2 3.5Å; I211-V215 PolarHBondContact O-N 2.89Å; I211-M239 HydrophobicContact CG2-CE 4.44Å; I211-L316 HydrophobicContact CG2-CD2 4.41Å
212	A	68.1	Low	66.2	Low	61 Å²	61	80.3 Å²	80.3	50%	0.504	44%	0.444	S	S	.	.	H	α-helix	trans	-59.7	-41	175.9	0	0	0	0	0	112.6	T208 S210 D216	T208-A212 WeakPolarHBondContact O-CB 3.35Å; T208-A212 PolarHBondContact O-N 2.96Å; S210-A212 VanDerWaalsContact C-N 3.32Å; S210-A212 PolarHBondContact O-N 2.68Å; A212-D216 VanDerWaalsContact O-CB 3.28Å; A212-D216 WeakPolarHBondContact O-CB 3.36Å; A212-D216 PolarHBondContact O-N 3.23Å
213	S	73	Confident	68.7	Low	64 Å²	64	72.6 Å²	72.6	45%	0.448	41%	0.411	S	S	.	.	H	α-helix	trans	-68	-33.6	176.4	-170.8	0	0	0	0	112.9	S209 S210 I211 I217	S209-S213 WeakPolarHBondContact O-CB 3.45Å; S209-S213 PolarHBondContact O-N 3.41Å; S209-S213 VanDerWaalsContact O-N 3.14Å; S210-S213 PolarHBondContact O-N 2.87Å; S210-S213 VanDerWaalsContact O-N 3.12Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 2.93Å; S213-I217 WeakPolarHBondContact O-CD1 3.45Å; S213-I217 VanDerWaalsContact O-CG1 3.26Å; S213-I217 WeakPolarHBondContact O-CG1 3.43Å; S213-I217 PolarHBondContact O-N 2.79Å
214	E	72.2	Confident	71.3	Confident	54 Å²	54	65 Å²	65	25%	0.252	37%	0.372	S	S	.	.	H	α-helix	trans	-75.5	-39.2	177.2	-71.4	-173.3	169.2	0	0	112.4	S210 I211 D216 I217 L218 K315 L316	S210-E214 PolarHBondContact O-N 2.86Å; I211-E214 PolarHBondContact O-N 2.8Å; E214-D216 VanDerWaalsContact C-N 3.32Å; E214-D216 PolarHBondContact O-N 2.9Å; E214-I217 PolarHBondContact O-N 2.83Å; E214-L218 WeakPolarHBondContact O-CB 3.38Å; E214-L218 WeakPolarHBondContact O-CD1 2.94Å; E214-L218 WeakPolarHBondContact O-CG 3.22Å; E214-L218 PolarHBondContact O-N 2.85Å; E214-K315 WeakPolarHBondContact OE2-CB 3.48Å; E214-L316 HydrophobicContact CB-CD2 3.74Å; E214-L316 PolarHBondContact OE2-N 3.43Å
215	V	77.7	Confident	73.9	Confident	27 Å²	27	63 Å²	63	16%	0.164	35%	0.351	C	S	.	.	H	α-helix	trans	-60	-43.1	171	167.5	0	0	0	0	111	I211 L218 T219 V232 L316	I211-V215 HydrophobicContact CG2-CG2 4.37Å; I211-V215 WeakPolarHBondContact O-CG2 3.5Å; I211-V215 PolarHBondContact O-N 2.89Å; V215-L218 PolarHBondContact O-N 2.81Å; V215-T219 HydrophobicContact CG1-CG2 4.32Å; V215-T219 WeakPolarHBondContact O-CB 3.15Å; V215-T219 WeakPolarHBondContact O-CG2 3.38Å; V215-T219 PolarHBondContact O-N 2.85Å; V215-T219 PolarHBondContact O-OG1 3.11Å; V215-V232 HydrophobicContact CG1-CB 3.78Å; V215-V232 HydrophobicContact CG1-CG2 3.96Å; V215-V232 HydrophobicContact CG2-CB 3.97Å; V215-V232 HydrophobicContact CG2-CG1 3.96Å; V215-V232 HydrophobicContact CG2-CG2 4.35Å; V215-L316 HydrophobicContact CG2-CD2 3.8Å
216	D	81.2	Confident	76.4	Confident	63 Å²	63	53.4 Å²	53.4	34%	0.337	31%	0.309	S	S	.	.	H	α-helix	trans	-65.8	-34.6	176.6	-178.5	55.4	0	0	0	112.4	A212 E214 R220	A212-D216 VanDerWaalsContact O-CB 3.28Å; A212-D216 WeakPolarHBondContact O-CB 3.36Å; A212-D216 PolarHBondContact O-N 3.23Å; E214-D216 VanDerWaalsContact C-N 3.32Å; E214-D216 PolarHBondContact O-N 2.9Å; D216-R220 VanDerWaalsContact CG-CZ 3.41Å; D216-R220 VanDerWaalsContact CG-NE 3.34Å; D216-R220 WeakPolarHBondContact O-CB 3.22Å; D216-R220 WeakPolarHBondContact O-CD 3.44Å; D216-R220 WeakPolarHBondContact O-CG 3.49Å; D216-R220 PolarHBondContact O-N 2.86Å; D216-R220 IonicContact OD1-CZ 3.35Å; D216-R220 IonicContact OD1-NE 3.08Å; D216-R220 PolarHBondContact OD1-NE 3.09Å; D216-R220 IonicContact OD1-NH2 2.63Å; D216-R220 PolarHBondContact OD1-NH2 3.27Å; D216-R220 IonicContact OD2-CZ 2.84Å; D216-R220 IonicContact OD2-NE 3.04Å; D216-R220 PolarHBondContact OD2-NE 3.2Å; D216-R220 IonicContact OD2-NH1 3.7Å; D216-R220 IonicContact OD2-NH2 3.74Å; D216-R220 PolarHBondContact OD2-NH2 3.06Å
217	I	81.9	Confident	78.6	Confident	73 Å²	73	49.9 Å²	49.9	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-45.7	170.1	-72.5	163	0	0	0	110.9	S213 E214 R220 L221 I285	S213-I217 WeakPolarHBondContact O-CD1 3.45Å; S213-I217 VanDerWaalsContact O-CG1 3.26Å; S213-I217 WeakPolarHBondContact O-CG1 3.43Å; S213-I217 PolarHBondContact O-N 2.79Å; E214-I217 PolarHBondContact O-N 2.83Å; I217-R220 PolarHBondContact O-N 3.06Å; I217-L221 PolarHBondContact O-N 2.91Å; I217-I285 HydrophobicContact CG2-CD1 4.05Å
218	L	84	Confident	81	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-73.1	-35.9	-172.2	-73.4	166.3	0	0	0	113.6	E214 V215 L221 I229 I285 F311 L316	E214-L218 WeakPolarHBondContact O-CB 3.38Å; E214-L218 WeakPolarHBondContact O-CD1 2.94Å; E214-L218 WeakPolarHBondContact O-CG 3.22Å; E214-L218 PolarHBondContact O-N 2.85Å; V215-L218 PolarHBondContact O-N 2.81Å; L218-L221 HydrophobicContact CD2-CD1 4.09Å; L218-I229 HydrophobicContact CB-CD1 4.01Å; L218-I285 HydrophobicContact CD2-CD1 4.04Å; L218-F311 HydrophobicContact CD2-CD2 3.86Å; L218-F311 HydrophobicContact CD2-CE2 3.72Å; L218-L316 HydrophobicContact CD1-CD1 3.47Å; L218-L316 VanDerWaalsContact CD1-CD1 3.47Å; L218-L316 HydrophobicContact CD1-CD2 4.01Å; L218-L316 HydrophobicContact CD1-CG 3.61Å
219	T	86	Confident	82.9	Confident	40 Å²	40	42.8 Å²	42.8	25%	0.245	24%	0.237	C	C	.	.	H	α-helix	trans	-74.4	-24.1	174.8	51.4	0	0	0	0	113	V215 Q228 I229 V232	V215-T219 HydrophobicContact CG1-CG2 4.32Å; V215-T219 WeakPolarHBondContact O-CB 3.15Å; V215-T219 WeakPolarHBondContact O-CG2 3.38Å; V215-T219 PolarHBondContact O-N 2.85Å; V215-T219 PolarHBondContact O-OG1 3.11Å; T219-Q228 PolarHBondContact O-NE2 2.65Å; T219-I229 HydrophobicContact CG2-CB 4.48Å; T219-I229 HydrophobicContact CG2-CG2 3.98Å; T219-V232 HydrophobicContact CG2-CG2 4.34Å
220	R	89.2	Confident	84.8	Confident	176 Å²	176	43 Å²	43	66%	0.664	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-13.1	174.7	-73.1	175	-166.8	-165.9	5.5	114.5	D216 I217 N222	D216-R220 VanDerWaalsContact CG-CZ 3.41Å; D216-R220 VanDerWaalsContact CG-NE 3.34Å; D216-R220 WeakPolarHBondContact O-CB 3.22Å; D216-R220 WeakPolarHBondContact O-CD 3.44Å; D216-R220 WeakPolarHBondContact O-CG 3.49Å; D216-R220 PolarHBondContact O-N 2.86Å; D216-R220 IonicContact OD1-CZ 3.35Å; D216-R220 IonicContact OD1-NE 3.08Å; D216-R220 PolarHBondContact OD1-NE 3.09Å; D216-R220 IonicContact OD1-NH2 2.63Å; D216-R220 PolarHBondContact OD1-NH2 3.27Å; D216-R220 IonicContact OD2-CZ 2.84Å; D216-R220 IonicContact OD2-NE 3.04Å; D216-R220 PolarHBondContact OD2-NE 3.2Å; D216-R220 IonicContact OD2-NH1 3.7Å; D216-R220 IonicContact OD2-NH2 3.74Å; D216-R220 PolarHBondContact OD2-NH2 3.06Å; I217-R220 PolarHBondContact O-N 3.06Å; R220-N222 PolarHBondContact O-N 2.9Å
221	L	90.9	Very high	86.2	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.026	22%	0.22	C	C	.	.			trans	-62.7	127.1	171.6	-57.6	178.8	0	0	0	108.9	I217 L218 Q228 Y279 L280 H283 I285 F311	I217-L221 PolarHBondContact O-N 2.91Å; L218-L221 HydrophobicContact CD2-CD1 4.09Å; L221-Q228 PolarHBondContact O-NE2 3.01Å; L221-Q228 PolarHBondContact O-OE1 3.48Å; L221-Q228 VanDerWaalsContact O-OE1 3.09Å; L221-Y279 HydrophobicContact CB-CE1 4.21Å; L221-Y279 HydrophobicContact CD2-CE1 3.92Å; L221-L280 HydrophobicContact CD1-CD2 3.91Å; L221-H283 HydrophobicContact CD2-CB 4.03Å; L221-I285 HydrophobicContact CD1-CD1 3.7Å; L221-I285 HydrophobicContact CD2-CD1 3.94Å; L221-I285 HydrophobicContact CG-CD1 4.31Å; L221-F311 HydrophobicContact CD1-CD2 4.18Å; L221-F311 HydrophobicContact CD1-CE2 3.51Å; L221-F311 HydrophobicContact CD1-CZ 4.06Å
222	N	92.2	Very high	87.4	Confident	85 Å²	85	41.7 Å²	41.7	46%	0.455	22%	0.217	S	C	.	.			trans	-143.1	102.7	178.3	177.6	-1.5	0	0	0	108.2	R220 Y279	R220-N222 PolarHBondContact O-N 2.9Å; N222-Y279 PolarHBondContact N-OH 2.94Å; N222-Y279 PolarHBondContact O-OH 3.37Å; N222-Y279 VanDerWaalsContact O-OH 3.12Å
223	H	95	Very high	88.4	Confident	25 Å²	25	39.5 Å²	39.5	12%	0.116	20%	0.196	C	C	.	.			trans	-150	130.9	177.9	-177	-102.1	0	0	0	109.9	C225 I226 Y279	H223-C225 PolarHBondContact ND1-N 3.38Å; H223-C225 PolarHBondContact O-N 3.2Å; H223-I226 HydrophobicContact CB-CB 4.21Å; H223-I226 HydrophobicContact CB-CD1 3.86Å; H223-I226 HydrophobicContact CB-CG1 4.02Å; H223-I226 PolarHBondContact O-N 3.38Å; H223-Y279 HydrophobicContact CB-CD1 4.01Å; H223-Y279 HydrophobicContact CB-CD2 4.03Å; H223-Y279 HydrophobicContact CB-CE1 3.99Å; H223-Y279 HydrophobicContact CB-CE2 4.02Å; H223-Y279 HydrophobicContact CB-CG 4.02Å; H223-Y279 AromaticContact CD2-CD2 3.91Å
224	P	96.3	Very high	89	Confident	12 Å²	12	39.5 Å²	39.5	8%	0.078	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-27.1	-175.6	-33.5	39.7	0	0	0	116.2	K307 I441 A444 S445	P224-K307 WeakPolarHBondContact O-CD 3.23Å; P224-K307 WeakPolarHBondContact O-CE 3.37Å; P224-K307 PolarHBondContact O-NZ 2.95Å; P224-I441 HydrophobicContact CB-CG2 4.19Å; P224-I441 HydrophobicContact CG-CG2 3.87Å; P224-I441 WeakPolarHBondContact CG-O 3.5Å; P224-A444 HydrophobicContact CB-CB 3.86Å; P224-A444 HydrophobicContact CG-CB 4.22Å; P224-S445 WeakPolarHBondContact CG-OG 3.37Å
225	C	97.5	Very high	89.6	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	11.6	177.9	-57.6	0	0	0	0	114.8	H223 A276 I306 V308	H223-C225 PolarHBondContact ND1-N 3.38Å; H223-C225 PolarHBondContact O-N 3.2Å; C225-A276 HydrophobicContact CB-CB 3.87Å; C225-I306 VanDerWaalsContact CA-O 3.26Å; C225-I306 WeakPolarHBondContact CA-O 3.47Å; C225-I306 HydrophobicContact CB-CD1 3.96Å; C225-I306 HydrophobicContact CB-CG1 4.33Å; C225-V308 PolarHBondContact O-N 2.72Å
226	I	95.8	Very high	89.8	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.021	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-120.7	144.5	178.7	-62.1	-178.1	0	0	0	108.4	H223 Q228 A276 Y279 L280 K307 F311	H223-I226 HydrophobicContact CB-CB 4.21Å; H223-I226 HydrophobicContact CB-CD1 3.86Å; H223-I226 HydrophobicContact CB-CG1 4.02Å; H223-I226 PolarHBondContact O-N 3.38Å; I226-Q228 PolarHBondContact O-N 2.87Å; I226-A276 HydrophobicContact CD1-CB 4.48Å; I226-A276 HydrophobicContact CG1-CB 3.89Å; I226-Y279 HydrophobicContact CD1-CD1 3.37Å; I226-Y279 HydrophobicContact CD1-CE1 4.02Å; I226-Y279 HydrophobicContact CD1-CG 4.1Å; I226-L280 HydrophobicContact CD1-CD2 3.92Å; I226-L280 HydrophobicContact CD1-CG 3.88Å; I226-K307 WeakPolarHBondContact O-CD 3.31Å; I226-K307 PolarHBondContact O-NZ 3.28Å; I226-F311 HydrophobicContact CG2-CD1 4.06Å; I226-F311 HydrophobicContact CG2-CE1 3.23Å; I226-F311 HydrophobicContact CG2-CZ 3.59Å
227	I	94.9	Very high	89.9	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.036	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-66.9	125.8	174.6	-154.6	72.5	0	0	0	109.7	I229 L243 E244 V246 L296 K307 V308 F311	I227-I229 PolarHBondContact O-N 2.7Å; I227-L243 HydrophobicContact CG1-CB 4.4Å; I227-E244 HydrophobicContact CD1-CB 3.82Å; I227-E244 HydrophobicContact CD1-CG 4.25Å; I227-E244 HydrophobicContact CG1-CB 4.06Å; I227-V246 HydrophobicContact CD1-CB 4.34Å; I227-V246 HydrophobicContact CD1-CG2 3.35Å; I227-L296 HydrophobicContact CD1-CD1 4.41Å; I227-K307 HydrophobicContact CD1-CB 4.1Å; I227-K307 HydrophobicContact CD1-CD 4.43Å; I227-K307 HydrophobicContact CD1-CG 4.41Å; I227-V308 PolarHBondContact N-O 2.9Å; I227-F311 HydrophobicContact CG2-CE1 3.8Å; I227-F311 HydrophobicContact CG2-CZ 4.32Å
228	Q	94.2	Very high	90.1	Very high	30 Å²	30	40.1 Å²	40.1	14%	0.14	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-71.3	132.6	176.1	-171.2	60.8	58.8	0	0	110	T219 L221 I226 Y230 L243 E244	T219-Q228 PolarHBondContact O-NE2 2.65Å; L221-Q228 PolarHBondContact O-NE2 3.01Å; L221-Q228 PolarHBondContact O-OE1 3.48Å; L221-Q228 VanDerWaalsContact O-OE1 3.09Å; I226-Q228 PolarHBondContact O-N 2.87Å; Q228-Y230 HydrophobicContact CB-CE1 4.32Å; Q228-Y230 HydrophobicContact CB-CE2 3.89Å; Q228-Y230 HydrophobicContact CG-CD1 3.93Å; Q228-Y230 HydrophobicContact CG-CD2 4.27Å; Q228-Y230 HydrophobicContact CG-CE1 3.53Å; Q228-Y230 HydrophobicContact CG-CE2 3.9Å; Q228-Y230 HydrophobicContact CG-CG 4.29Å; Q228-L243 WeakPolarHBondContact O-CA 3.44Å; Q228-E244 HydrophobicContact CB-CB 4.16Å; Q228-E244 PolarHBondContact N-OE2 3.28Å; Q228-E244 PolarHBondContact O-N 2.86Å
229	I	92.7	Very high	90.2	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.051	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.6	167.5	-52.5	171.7	0	0	0	106.6	L218 T219 I227 V232 L243 F311	L218-I229 HydrophobicContact CB-CD1 4.01Å; T219-I229 HydrophobicContact CG2-CB 4.48Å; T219-I229 HydrophobicContact CG2-CG2 3.98Å; I227-I229 PolarHBondContact O-N 2.7Å; I229-V232 HydrophobicContact CG2-CG2 3.68Å; I229-L243 HydrophobicContact CB-CD2 4.27Å; I229-L243 HydrophobicContact CG1-CD2 3.71Å; I229-L243 HydrophobicContact CG2-CD2 4.26Å; I229-F311 HydrophobicContact CD1-CE2 3.68Å; I229-F311 HydrophobicContact CD1-CZ 3.79Å; I229-F311 HydrophobicContact CG1-CZ 4.23Å
230	Y	91.7	Very high	90.5	Very high	86 Å²	86	39.3 Å²	39.3	34%	0.337	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-37.8	-175.6	-65.7	-78.2	0	0	0	113.1	Y187 Q228 V242 E244	Y187-Y230 AromaticContact CD1-CD2 3.62Å; Y187-Y230 HydrophobicContact CD1-CD2 3.62Å; Y187-Y230 AromaticContact CD1-CE2 3.73Å; Y187-Y230 HydrophobicContact CD1-CE2 3.73Å; Y187-Y230 HydrophobicContact CD1-CG 4.33Å; Y187-Y230 HydrophobicContact CE1-CD1 4.42Å; Y187-Y230 AromaticContact CE1-CD2 3.72Å; Y187-Y230 HydrophobicContact CE1-CD2 3.72Å; Y187-Y230 HydrophobicContact CE1-CE1 4.41Å; Y187-Y230 AromaticContact CE1-CE2 3.7Å; Y187-Y230 HydrophobicContact CE1-CE2 3.7Å; Y187-Y230 HydrophobicContact CE1-CG 4.08Å; Q228-Y230 HydrophobicContact CB-CE1 4.32Å; Q228-Y230 HydrophobicContact CB-CE2 3.89Å; Q228-Y230 HydrophobicContact CG-CD1 3.93Å; Q228-Y230 HydrophobicContact CG-CD2 4.27Å; Q228-Y230 HydrophobicContact CG-CE1 3.53Å; Q228-Y230 HydrophobicContact CG-CE2 3.9Å; Q228-Y230 HydrophobicContact CG-CG 4.29Å; Y230-V242 PolarHBondContact N-O 2.96Å; Y230-E244 HydrophobicContact CE2-CB 4.02Å
231	D	91	Very high	90.6	Very high	34 Å²	34	31.4 Å²	31.4	18%	0.182	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	152.7	178.5	-166.8	8.9	0	0	0	109.5	K160 V242	K160-D231 IonicContact NZ-OD1 2.68Å; K160-D231 IonicContact NZ-OD2 3.9Å; K160-D231 PolarHBondContact NZ-OD2 3.47Å; D231-V242 HydrophobicContact CB-CB 4.01Å; D231-V242 HydrophobicContact CB-CG2 3.99Å; D231-V242 PolarHBondContact O-N 2.71Å
232	V	89.7	Confident	90.7	Very high	15 Å²	15	31.1 Å²	31.1	9%	0.091	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	100.6	174.1	-173.1	0	0	0	0	108.7	V215 T219 I229 D234 M239 Y240 M241	V215-V232 HydrophobicContact CG1-CB 3.78Å; V215-V232 HydrophobicContact CG1-CG2 3.96Å; V215-V232 HydrophobicContact CG2-CB 3.97Å; V215-V232 HydrophobicContact CG2-CG1 3.96Å; V215-V232 HydrophobicContact CG2-CG2 4.35Å; T219-V232 HydrophobicContact CG2-CG2 4.34Å; I229-V232 HydrophobicContact CG2-CG2 3.68Å; V232-D234 PolarHBondContact O-N 2.78Å; V232-M239 HydrophobicContact CG1-CG 3.68Å; V232-M239 HydrophobicContact CG1-SD 3.93Å; V232-Y240 WeakPolarHBondContact CA-O 2.97Å; V232-M241 HydrophobicContact CG1-CG 3.98Å; V232-M241 HydrophobicContact CG2-CG 4.13Å
233	I	89.9	Confident	90.8	Very high	15 Å²	15	27.7 Å²	27.7	8%	0.077	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	109.2	178.2	-63	156.5	0	0	0	107.7	E156 V157 K160 Y161 T235 Y240	E156-I233 HydrophobicContact CB-CG2 3.6Å; E156-I233 WeakPolarHBondContact O-CD1 3.35Å; V157-I233 HydrophobicContact CB-CD1 4.44Å; V157-I233 HydrophobicContact CG2-CB 4.28Å; V157-I233 HydrophobicContact CG2-CD1 3.79Å; V157-I233 HydrophobicContact CG2-CG2 4.02Å; K160-I233 HydrophobicContact CD-CD1 4.46Å; Y161-I233 HydrophobicContact CD2-CD1 4.25Å; Y161-I233 HydrophobicContact CE2-CD1 4.04Å; I233-T235 HydrophobicContact CG2-CG2 4.26Å; I233-Y240 PolarHBondContact N-O 3.14Å; I233-Y240 PolarHBondContact O-N 3.32Å
234	D	84.9	Confident	90.7	Very high	63 Å²	63	28.5 Å²	28.5	34%	0.337	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.7	-177.2	-167.6	50.5	0	0	0	111.5	K194 V232 M239	K194-D234 WeakPolarHBondContact CE-OD1 3.48Å; K194-D234 IonicContact NZ-OD1 2.68Å; K194-D234 PolarHBondContact NZ-OD1 3.4Å; K194-D234 IonicContact NZ-OD2 2.72Å; K194-D234 PolarHBondContact NZ-OD2 3.3Å; V232-D234 PolarHBondContact O-N 2.78Å; D234-M239 VanDerWaalsContact OD1-CE 3.22Å; D234-M239 WeakPolarHBondContact OD1-CE 3.12Å
235	T	85.6	Confident	90.6	Very high	21 Å²	21	30 Å²	30	13%	0.129	15%	0.153	C	C	.	.			trans	-114.8	-179.6	-178.8	73.9	0	0	0	0	111.5	P154 K194 I233 E237 A238 Y240	P154-T235 HydrophobicContact CB-CG2 4.26Å; P154-T235 HydrophobicContact CG-CG2 4.02Å; K194-T235 WeakPolarHBondContact CD-O 3.03Å; K194-T235 WeakPolarHBondContact CE-O 3.43Å; K194-T235 PolarHBondContact NZ-O 3.12Å; I233-T235 HydrophobicContact CG2-CG2 4.26Å; T235-E237 VanDerWaalsContact C-N 3.33Å; T235-E237 PolarHBondContact OG1-N 2.6Å; T235-A238 WeakPolarHBondContact CB-O 2.99Å; T235-A238 PolarHBondContact N-O 3.49Å; T235-A238 PolarHBondContact OG1-N 2.98Å; T235-A238 VanDerWaalsContact OG1-N 3.14Å; T235-A238 PolarHBondContact OG1-O 3.2Å; T235-Y240 HydrophobicContact CG2-CD2 4.21Å; T235-Y240 HydrophobicContact CG2-CE2 3.93Å
236	T	82.3	Confident	90.4	Very high	115 Å²	115	31.1 Å²	31.1	71%	0.706	16%	0.16	S	C	*	.	S	Bend	trans	-66.9	-34.6	174.5	60.5	0	0	0	0	112.6
237	E	82.4	Confident	89.9	Confident	90 Å²	90	37.4 Å²	37.4	42%	0.421	19%	0.189	S	C	.	.	S	Bend	trans	-94.6	-36.5	-169.8	-53.4	-51.8	109.1	0	0	113.1	K194 K195 T235	K194-E237 PolarHBondContact N-O 3.4Å; K195-E237 WeakPolarHBondContact CE-OE2 3.31Å; K195-E237 IonicContact NZ-OE2 3.05Å; K195-E237 PolarHBondContact NZ-OE2 3.24Å; T235-E237 VanDerWaalsContact C-N 3.33Å; T235-E237 PolarHBondContact OG1-N 2.6Å
238	A	86.3	Confident	89.7	Confident	4 Å²	4	37.2 Å²	37.2	3%	0.033	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	157.5	-173.1	0	0	0	0	0	112.4	I191 V192 T235 Y240	I191-A238 HydrophobicContact CG2-CB 4.17Å; V192-A238 CarbonylContact O-C 3.42Å; V192-A238 VanDerWaalsContact O-CA 3.24Å; V192-A238 WeakPolarHBondContact O-CA 3.36Å; V192-A238 WeakPolarHBondContact O-CB 3.25Å; T235-A238 WeakPolarHBondContact CB-O 2.99Å; T235-A238 PolarHBondContact N-O 3.49Å; T235-A238 PolarHBondContact OG1-N 2.98Å; T235-A238 VanDerWaalsContact OG1-N 3.14Å; T235-A238 PolarHBondContact OG1-O 3.2Å; A238-Y240 HydrophobicContact CB-CD2 4.48Å; A238-Y240 HydrophobicContact CB-CE2 3.77Å
239	M	86.6	Confident	89.6	Confident	6 Å²	6	37 Å²	37	3%	0.03	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.6	169.7	-178.5	178.1	-75.6	0	0	109	V192 I211 V232 D234 M241 L316	V192-M239 PolarHBondContact N-O 3.49Å; V192-M239 PolarHBondContact O-N 3.36Å; I211-M239 HydrophobicContact CG2-CE 4.44Å; V232-M239 HydrophobicContact CG1-CG 3.68Å; V232-M239 HydrophobicContact CG1-SD 3.93Å; D234-M239 VanDerWaalsContact OD1-CE 3.22Å; D234-M239 WeakPolarHBondContact OD1-CE 3.12Å; M239-M241 HydrophobicContact CG-CG 4.38Å; M239-L316 HydrophobicContact CE-CB 4.08Å; M239-L316 HydrophobicContact CE-CD1 4.43Å; M239-L316 HydrophobicContact CE-CD2 4.47Å; M239-L316 HydrophobicContact SD-CB 4.12Å; M239-L316 HydrophobicContact SD-CD1 3.8Å; M239-L316 HydrophobicContact SD-CG 4.48Å
240	Y	91.1	Very high	89.6	Confident	23 Å²	23	40.1 Å²	40.1	9%	0.09	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	103.2	-177.8	-57.9	-99.9	0	0	0	108.6	Y153 P154 V157 M189 K190 I191 V232 I233 T235 A238	Y153-Y240 HydrophobicContact CD1-CE1 4.14Å; P154-Y240 WeakPolarHBondContact CD-OH 3.46Å; P154-Y240 HydrophobicContact CG-CD2 4.39Å; P154-Y240 HydrophobicContact CG-CE2 3.73Å; V157-Y240 HydrophobicContact CG2-CD1 3.9Å; V157-Y240 HydrophobicContact CG2-CD2 4Å; V157-Y240 HydrophobicContact CG2-CE1 4.41Å; V157-Y240 HydrophobicContact CG2-CG 3.69Å; M189-Y240 HydrophobicContact CE-CD1 4.12Å; M189-Y240 HydrophobicContact SD-CD1 3.85Å; M189-Y240 HydrophobicContact SD-CG 4.43Å; K190-Y240 WeakPolarHBondContact O-CA 3.12Å; I191-Y240 HydrophobicContact CB-CD1 4.36Å; I191-Y240 HydrophobicContact CB-CE1 4.43Å; I191-Y240 HydrophobicContact CD1-CD1 4.35Å; I191-Y240 HydrophobicContact CD1-CE1 4.17Å; I191-Y240 HydrophobicContact CG1-CD1 3.89Å; I191-Y240 HydrophobicContact CG1-CE1 4.1Å; I191-Y240 HydrophobicContact CG2-CD1 3.94Å; I191-Y240 HydrophobicContact CG2-CE1 3.62Å; V232-Y240 WeakPolarHBondContact CA-O 2.97Å; I233-Y240 PolarHBondContact N-O 3.14Å; I233-Y240 PolarHBondContact O-N 3.32Å; T235-Y240 HydrophobicContact CG2-CD2 4.21Å; T235-Y240 HydrophobicContact CG2-CE2 3.93Å; A238-Y240 HydrophobicContact CB-CD2 4.48Å; A238-Y240 HydrophobicContact CB-CE2 3.77Å
241	M	91.2	Very high	89.8	Confident	9 Å²	9	36 Å²	36	4%	0.044	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.9	178.2	-68.2	169.2	-83.4	0	0	109.7	M189 K190 V192 V232 M239 L243	M189-M241 CarbonylContact C-O 3.51Å; M189-M241 WeakPolarHBondContact CA-O 3.45Å; K190-M241 HydrophobicContact CB-CB 4.49Å; K190-M241 HydrophobicContact CD-CE 4.02Å; K190-M241 HydrophobicContact CG-CE 4.26Å; K190-M241 PolarHBondContact N-O 3.08Å; K190-M241 PolarHBondContact O-N 3.04Å; V192-M241 HydrophobicContact CB-CE 4.39Å; V192-M241 HydrophobicContact CG2-CE 3.47Å; V192-M241 VanDerWaalsContact CG2-CE 3.47Å; V232-M241 HydrophobicContact CG1-CG 3.98Å; V232-M241 HydrophobicContact CG2-CG 4.13Å; M239-M241 HydrophobicContact CG-CG 4.38Å; M241-L243 HydrophobicContact CB-CD2 4.06Å; M241-L243 HydrophobicContact CB-CG 4.37Å
242	V	94	Very high	89.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	116.8	173.5	179.4	0	0	0	0	108.5	Y161 I178 Y187 Y230 D231	Y161-V242 HydrophobicContact CD2-CG2 4.33Å; Y161-V242 HydrophobicContact CE2-CG2 3.73Å; I178-V242 HydrophobicContact CD1-CB 4.46Å; I178-V242 HydrophobicContact CD1-CG1 3.94Å; I178-V242 HydrophobicContact CD1-CG2 3.9Å; Y187-V242 HydrophobicContact CD1-CG1 4.19Å; Y187-V242 HydrophobicContact CG-CG1 4.01Å; Y230-V242 PolarHBondContact N-O 2.96Å; D231-V242 HydrophobicContact CB-CB 4.01Å; D231-V242 HydrophobicContact CB-CG2 3.99Å; D231-V242 PolarHBondContact O-N 2.71Å
243	L	94.1	Very high	90	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.068	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	157.7	-171	-51.4	177.1	0	0	0	111.5	Y187 A188 K190 I227 Q228 I229 M241	Y187-L243 WeakPolarHBondContact CB-O 3.35Å; A188-L243 HydrophobicContact CB-CB 4.36Å; A188-L243 PolarHBondContact N-O 3.43Å; A188-L243 WeakPolarHBondContact O-CA 3.5Å; A188-L243 VanDerWaalsContact O-CB 3.31Å; A188-L243 WeakPolarHBondContact O-CB 3.34Å; A188-L243 PolarHBondContact O-N 2.96Å; K190-L243 HydrophobicContact CB-CD1 3.9Å; K190-L243 HydrophobicContact CD-CD1 4.32Å; I227-L243 HydrophobicContact CG1-CB 4.4Å; Q228-L243 WeakPolarHBondContact O-CA 3.44Å; I229-L243 HydrophobicContact CB-CD2 4.27Å; I229-L243 HydrophobicContact CG1-CD2 3.71Å; I229-L243 HydrophobicContact CG2-CD2 4.26Å; M241-L243 HydrophobicContact CB-CD2 4.06Å; M241-L243 HydrophobicContact CB-CG 4.37Å
244	E	93.5	Very high	90.3	Very high	42 Å²	42	40.9 Å²	40.9	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	134.6	164.4	-177.9	-178.4	-176.8	0	0	112.2	I227 Q228 Y230 V246 K307	I227-E244 HydrophobicContact CD1-CB 3.82Å; I227-E244 HydrophobicContact CD1-CG 4.25Å; I227-E244 HydrophobicContact CG1-CB 4.06Å; Q228-E244 HydrophobicContact CB-CB 4.16Å; Q228-E244 PolarHBondContact N-OE2 3.28Å; Q228-E244 PolarHBondContact O-N 2.86Å; Y230-E244 HydrophobicContact CE2-CB 4.02Å; E244-V246 HydrophobicContact CG-CG2 4.13Å; E244-K307 WeakPolarHBondContact OE1-CE 3.26Å; E244-K307 IonicContact OE1-NZ 2.8Å; E244-K307 PolarHBondContact OE1-NZ 3.5Å; E244-K307 VanDerWaalsContact OE2-CE 3.31Å; E244-K307 WeakPolarHBondContact OE2-CE 3.46Å; E244-K307 IonicContact OE2-NZ 3.39Å; E244-K307 PolarHBondContact OE2-NZ 2.71Å
245	L	93.1	Very high	90.7	Very high	43 Å²	43	38.1 Å²	38.1	23%	0.225	20%	0.198	C	C	.	.			trans	-86.2	115.6	176.9	-179.9	65.4	0	0	0	110.6	I167 L177 K186 A188 E247	I167-L245 HydrophobicContact CD1-CD1 3.75Å; L177-L245 HydrophobicContact CD1-CD2 3.79Å; K186-L245 HydrophobicContact CB-CD2 3.81Å; K186-L245 HydrophobicContact CD-CD2 4.14Å; A188-L245 HydrophobicContact CB-CD1 4.15Å; L245-E247 HydrophobicContact CD2-CG 4.32Å; L245-E247 HydrophobicContact CG-CG 4.1Å
246	V	92.8	Very high	90.9	Very high	24 Å²	24	40.2 Å²	40.2	15%	0.145	21%	0.211	C	C	.	.			trans	-115.1	105.7	-177.1	175.9	0	0	0	0	110.7	I227 E244 L296 L297 K307	I227-V246 HydrophobicContact CD1-CB 4.34Å; I227-V246 HydrophobicContact CD1-CG2 3.35Å; E244-V246 HydrophobicContact CG-CG2 4.13Å; V246-L296 HydrophobicContact CB-CB 4.33Å; V246-L296 HydrophobicContact CB-CD1 4.13Å; V246-L296 HydrophobicContact CG1-CB 3.69Å; V246-L296 HydrophobicContact CG1-CD1 4.39Å; V246-L297 WeakPolarHBondContact CG1-O 3.39Å; V246-K307 HydrophobicContact CG2-CB 4.26Å; V246-K307 HydrophobicContact CG2-CG 3.95Å
247	E	86	Confident	91.4	Very high	136 Å²	136	41.1 Å²	41.1	64%	0.636	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.6	-167.6	-60.7	-173.4	170.3	0	0	114.7	K186 L245 G249	K186-E247 IonicContact NZ-OE1 2.72Å; K186-E247 PolarHBondContact NZ-OE1 2.9Å; L245-E247 HydrophobicContact CD2-CG 4.32Å; L245-E247 HydrophobicContact CG-CG 4.1Å; E247-G249 VanDerWaalsContact C-N 3.33Å; E247-G249 PolarHBondContact O-N 3.02Å
248	G	90.4	Very high	91.8	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.4	178.6	0	0	0	0	0	115	L297 K300	G248-L297 CarbonylContact C-O 3.55Å; G248-L297 WeakPolarHBondContact CA-O 3.45Å; G248-L297 PolarHBondContact N-O 2.93Å; G248-L297 VanDerWaalsContact N-O 3.13Å; G248-K300 WeakPolarHBondContact O-CD 3.28Å; G248-K300 WeakPolarHBondContact O-CE 3.32Å; G248-K300 PolarHBondContact O-NZ 2.95Å
249	G	91.9	Very high	92	Very high	25 Å²	25	42.9 Å²	42.9	26%	0.258	23%	0.23	S	C	.	.			trans	75.2	-175	178.5	0	0	0	0	0	114.4	E247 L297	E247-G249 VanDerWaalsContact C-N 3.33Å; E247-G249 PolarHBondContact O-N 3.02Å; G249-L297 WeakPolarHBondContact O-CB 3.28Å; G249-L297 PolarHBondContact O-N 3.2Å
250	E	93.7	Very high	92.2	Very high	77 Å²	77	44.9 Å²	44.9	36%	0.36	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-78	147.5	-168.8	-51.7	146.2	-161.9	0	0	113.6	F252 N253 R254 L296	E250-F252 VanDerWaalsContact C-N 3.26Å; E250-F252 HydrophobicContact CB-CB 4.45Å; E250-F252 PolarHBondContact O-N 3.2Å; E250-N253 PolarHBondContact O-N 2.94Å; E250-N253 PolarHBondContact OE2-ND2 2.7Å; E250-R254 PolarHBondContact O-N 2.92Å; E250-L296 HydrophobicContact CG-CD2 3.9Å
251	L	95.4	Very high	92.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-33.5	171.7	176.1	63.5	0	0	0	111.8	N253 R254 I255 L261 F269 M273 P292 I295 L297	L251-N253 VanDerWaalsContact C-N 3.34Å; L251-N253 PolarHBondContact O-N 3.05Å; L251-R254 HydrophobicContact CD1-CB 4.48Å; L251-R254 WeakPolarHBondContact O-CB 3.35Å; L251-R254 PolarHBondContact O-N 2.86Å; L251-R254 VanDerWaalsContact O-N 3.13Å; L251-I255 HydrophobicContact CD1-CD1 4.34Å; L251-I255 HydrophobicContact CD1-CG1 4.27Å; L251-I255 HydrophobicContact CG-CD1 4Å; L251-I255 HydrophobicContact CG-CG1 4.39Å; L251-I255 WeakPolarHBondContact O-CG1 3.39Å; L251-I255 PolarHBondContact O-N 2.69Å; L251-L261 HydrophobicContact CD1-CD1 4.44Å; L251-F269 HydrophobicContact CD1-CD2 4.44Å; L251-M273 HydrophobicContact CD2-CE 3.6Å; L251-M273 HydrophobicContact CD2-SD 4.18Å; L251-P292 PolarHBondContact N-O 2.87Å; L251-I295 HydrophobicContact CB-CB 3.98Å; L251-I295 HydrophobicContact CB-CG2 4.02Å; L251-I295 WeakPolarHBondContact CB-O 3.49Å; L251-I295 HydrophobicContact CD2-CB 4.11Å; L251-I295 HydrophobicContact CD2-CG2 3.84Å; L251-I295 PolarHBondContact N-O 2.98Å; L251-L297 HydrophobicContact CB-CD2 4.31Å; L251-L297 HydrophobicContact CD1-CD2 4.34Å
252	F	93.1	Very high	92.5	Very high	71 Å²	71	47.3 Å²	47.3	31%	0.311	25%	0.254	S	S	.	.	H	α-helix	trans	-50.3	-52.6	174.1	-176.2	-98	0	0	0	112	E250 R254 I255 V256 P292 E293	E250-F252 VanDerWaalsContact C-N 3.26Å; E250-F252 HydrophobicContact CB-CB 4.45Å; E250-F252 PolarHBondContact O-N 3.2Å; F252-R254 VanDerWaalsContact C-N 3.32Å; F252-R254 PolarHBondContact O-N 2.79Å; F252-I255 PolarHBondContact O-N 3.43Å; F252-I255 VanDerWaalsContact O-N 3.14Å; F252-V256 HydrophobicContact CD1-CG2 4.17Å; F252-V256 HydrophobicContact CE1-CG2 3.75Å; F252-V256 HydrophobicContact CE2-CG2 4.49Å; F252-V256 HydrophobicContact CZ-CG2 3.92Å; F252-V256 WeakPolarHBondContact O-CG2 3.4Å; F252-V256 PolarHBondContact O-N 3.3Å; F252-P292 HydrophobicContact CB-CB 3.95Å; F252-P292 HydrophobicContact CD2-CB 4.3Å; F252-P292 PolarHBondContact N-O 2.72Å; F252-P292 VanDerWaalsContact N-O 3.1Å; F252-E293 HydrophobicContact CB-CG 3.96Å; F252-E293 HydrophobicContact CD2-CG 4.29Å; F252-E293 HydrophobicContact CG-CG 4.03Å
253	N	92.4	Very high	92.6	Very high	68 Å²	68	49.2 Å²	49.2	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-63.9	-36.6	-179.7	-62.2	-66.9	0	0	0	112	E250 L251 I255 V256 D257	E250-N253 PolarHBondContact O-N 2.94Å; E250-N253 PolarHBondContact OE2-ND2 2.7Å; L251-N253 VanDerWaalsContact C-N 3.34Å; L251-N253 PolarHBondContact O-N 3.05Å; N253-I255 VanDerWaalsContact C-N 3.33Å; N253-I255 PolarHBondContact O-N 2.9Å; N253-V256 PolarHBondContact O-N 2.67Å; N253-D257 WeakPolarHBondContact O-CB 3.46Å; N253-D257 PolarHBondContact O-N 3.11Å
254	R	94.3	Very high	92.8	Very high	26 Å²	26	50.9 Å²	50.9	10%	0.098	28%	0.276	C	S	.	.	H	α-helix	trans	-60.8	-40.7	174.2	177.1	70.6	76.1	87.9	6.3	112	E250 L251 F252 L258 L261 L297 A301 D302	E250-R254 PolarHBondContact O-N 2.92Å; L251-R254 HydrophobicContact CD1-CB 4.48Å; L251-R254 WeakPolarHBondContact O-CB 3.35Å; L251-R254 PolarHBondContact O-N 2.86Å; L251-R254 VanDerWaalsContact O-N 3.13Å; F252-R254 VanDerWaalsContact C-N 3.32Å; F252-R254 PolarHBondContact O-N 2.79Å; R254-L258 HydrophobicContact CG-CD1 4.18Å; R254-L258 WeakPolarHBondContact O-CB 3.43Å; R254-L258 WeakPolarHBondContact O-CG 3.24Å; R254-L258 PolarHBondContact O-N 2.91Å; R254-L261 HydrophobicContact CG-CD2 4.25Å; R254-L297 HydrophobicContact CB-CD1 3.9Å; R254-L297 HydrophobicContact CG-CD1 4.25Å; R254-A301 PolarHBondContact NH1-O 3.18Å; R254-A301 PolarHBondContact NH2-O 3.39Å; R254-D302 PolarHBondContact NH1-O 3.27Å
255	I	93.4	Very high	92.9	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-68.8	-43	177.8	-61.5	166.7	0	0	0	110.1	L251 F252 N253 L258 G259 L261 P292 I361	L251-I255 HydrophobicContact CD1-CD1 4.34Å; L251-I255 HydrophobicContact CD1-CG1 4.27Å; L251-I255 HydrophobicContact CG-CD1 4Å; L251-I255 HydrophobicContact CG-CG1 4.39Å; L251-I255 WeakPolarHBondContact O-CG1 3.39Å; L251-I255 PolarHBondContact O-N 2.69Å; F252-I255 PolarHBondContact O-N 3.43Å; F252-I255 VanDerWaalsContact O-N 3.14Å; N253-I255 VanDerWaalsContact C-N 3.33Å; N253-I255 PolarHBondContact O-N 2.9Å; I255-L258 PolarHBondContact O-N 3.43Å; I255-G259 CarbonylContact O-C 3.59Å; I255-G259 VanDerWaalsContact O-CA 3.31Å; I255-G259 WeakPolarHBondContact O-CA 3.44Å; I255-G259 PolarHBondContact O-N 3.03Å; I255-L261 HydrophobicContact CG1-CD1 4.41Å; I255-L261 HydrophobicContact CG1-CG 4.27Å; I255-P292 HydrophobicContact CD1-CB 4.4Å; I255-I361 HydrophobicContact CD1-CG2 4.2Å; I255-I361 HydrophobicContact CG2-CG2 4.15Å
256	V	91.2	Very high	93.1	Very high	64 Å²	64	48 Å²	48	39%	0.388	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-46.3	177.5	173.6	0	0	0	0	112	F252 N253 L258 G259	F252-V256 HydrophobicContact CD1-CG2 4.17Å; F252-V256 HydrophobicContact CE1-CG2 3.75Å; F252-V256 HydrophobicContact CE2-CG2 4.49Å; F252-V256 HydrophobicContact CZ-CG2 3.92Å; F252-V256 WeakPolarHBondContact O-CG2 3.4Å; F252-V256 PolarHBondContact O-N 3.3Å; N253-V256 PolarHBondContact O-N 2.67Å; V256-L258 VanDerWaalsContact C-N 3.31Å; V256-L258 PolarHBondContact O-N 2.73Å; V256-G259 PolarHBondContact O-N 3.29Å
257	D	91.8	Very high	93.4	Very high	134 Å²	134	48 Å²	48	72%	0.717	26%	0.26	S	S	*	.	H	α-helix	trans	-62.1	-36.4	-180	-79.7	-26.3	0	0	0	112.7	N253	N253-D257 WeakPolarHBondContact O-CB 3.46Å; N253-D257 PolarHBondContact O-N 3.11Å
258	L	92.4	Very high	93.9	Very high	99 Å²	99	41.6 Å²	41.6	52%	0.518	23%	0.23	S	C	.	.	H	α-helix	trans	-90	-13.9	178.5	-64.6	176.9	0	0	0	113.5	R254 I255 V256 Q260 L261	R254-L258 HydrophobicContact CG-CD1 4.18Å; R254-L258 WeakPolarHBondContact O-CB 3.43Å; R254-L258 WeakPolarHBondContact O-CG 3.24Å; R254-L258 PolarHBondContact O-N 2.91Å; I255-L258 PolarHBondContact O-N 3.43Å; V256-L258 VanDerWaalsContact C-N 3.31Å; V256-L258 PolarHBondContact O-N 2.73Å; L258-Q260 WeakPolarHBondContact CB-O 3.39Å; L258-Q260 PolarHBondContact O-N 3.44Å; L258-L261 HydrophobicContact CD1-CD2 3.77Å
259	G	90.2	Very high	94.3	Very high	32 Å²	32	41.5 Å²	41.5	33%	0.33	23%	0.229	S	C	.	.	S	Bend	trans	74.7	-43.8	-169.8	0	0	0	0	0	113.6	I255 V256 G365	I255-G259 CarbonylContact O-C 3.59Å; I255-G259 VanDerWaalsContact O-CA 3.31Å; I255-G259 WeakPolarHBondContact O-CA 3.44Å; I255-G259 PolarHBondContact O-N 3.03Å; V256-G259 PolarHBondContact O-N 3.29Å; G259-G365 WeakPolarHBondContact O-CA 3.04Å
260	Q	89.7	Confident	94.6	Very high	48 Å²	48	40.3 Å²	40.3	22%	0.224	22%	0.217	C	C	.	.	S	Bend	trans	-151.5	161.3	167.4	63.8	162.3	111.8	0	0	110	L258 L363	L258-Q260 WeakPolarHBondContact CB-O 3.39Å; L258-Q260 PolarHBondContact O-N 3.44Å; Q260-L363 PolarHBondContact NE2-O 2.89Å
261	L	94.5	Very high	94.8	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.031	20%	0.203	C	C	.	.			trans	-82.7	161.8	163.7	-58.3	-178.5	0	0	0	110.1	L251 R254 I255 L258 S266 F269 C362	L251-L261 HydrophobicContact CD1-CD1 4.44Å; R254-L261 HydrophobicContact CG-CD2 4.25Å; I255-L261 HydrophobicContact CG1-CD1 4.41Å; I255-L261 HydrophobicContact CG1-CG 4.27Å; L258-L261 HydrophobicContact CD1-CD2 3.77Å; L261-S266 WeakPolarHBondContact CB-OG 3.43Å; L261-F269 HydrophobicContact CD1-CD2 3.87Å; L261-F269 HydrophobicContact CD1-CE2 4.35Å; L261-C362 WeakPolarHBondContact CB-O 3.43Å; L261-C362 HydrophobicContact CD1-CB 4.12Å; L261-C362 PolarHBondContact N-O 3.33Å
262	N	94.9	Very high	95	Very high	78 Å²	78	37.3 Å²	37.3	42%	0.417	20%	0.203	S	C	.	.			trans	-80.4	165.8	161.8	69.5	68.8	0	0	0	109.8	S264 D265 S266	N262-S264 VanDerWaalsContact C-N 3.35Å; N262-S264 PolarHBondContact O-N 2.88Å; N262-S264 WeakPolarHBondContact OD1-CB 3.27Å; N262-S264 PolarHBondContact OD1-N 2.8Å; N262-D265 PolarHBondContact ND2-OD2 2.74Å; N262-D265 PolarHBondContact OD1-N 3.37Å; N262-S266 WeakPolarHBondContact O-CB 3.32Å; N262-S266 PolarHBondContact O-N 2.73Å; N262-S266 PolarHBondContact O-OG 3.49Å
263	E	96.6	Very high	95.2	Very high	40 Å²	40	34 Å²	34	19%	0.187	19%	0.188	C	C	.	.	H	α-helix	trans	-68.3	-31.9	-173.4	-167.5	175.6	146.3	0	0	113.4	K267 L363 I397 S398 W427	E263-K267 WeakPolarHBondContact O-CB 3.38Å; E263-K267 PolarHBondContact O-N 3.15Å; E263-L363 HydrophobicContact CB-CD2 4.17Å; E263-L363 HydrophobicContact CG-CD2 3.86Å; E263-I397 VanDerWaalsContact OE2-CA 3.31Å; E263-I397 WeakPolarHBondContact OE2-CA 3.48Å; E263-S398 WeakPolarHBondContact OE1-CB 3.41Å; E263-S398 PolarHBondContact OE1-OG 2.86Å; E263-S398 PolarHBondContact OE2-N 2.91Å; E263-W427 HydrophobicContact CG-CZ2 3.78Å; E263-W427 PolarHBondContact OE1-NE1 3.31Å
264	S	96.7	Very high	95.5	Very high	47 Å²	47	30.7 Å²	30.7	33%	0.329	17%	0.171	S	C	.	.	H	α-helix	trans	-68	-46.9	178.4	-171	0	0	0	0	111.1	N262 K267 F268 R303	N262-S264 VanDerWaalsContact C-N 3.35Å; N262-S264 PolarHBondContact O-N 2.88Å; N262-S264 WeakPolarHBondContact OD1-CB 3.27Å; N262-S264 PolarHBondContact OD1-N 2.8Å; S264-K267 WeakPolarHBondContact O-CB 3.41Å; S264-K267 PolarHBondContact O-N 2.92Å; S264-F268 WeakPolarHBondContact O-CB 3.4Å; S264-F268 PolarHBondContact O-N 3.08Å; S264-R303 PolarHBondContact OG-NH2 3.12Å
265	D	96.7	Very high	95.7	Very high	26 Å²	26	31.4 Å²	31.4	14%	0.139	18%	0.178	C	C	.	.	H	α-helix	trans	-71.7	-33.8	177.3	-62	-21	0	0	0	111.8	N262 K267 F268 F269 R303	N262-D265 PolarHBondContact ND2-OD2 2.74Å; N262-D265 PolarHBondContact OD1-N 3.37Å; D265-K267 VanDerWaalsContact C-N 3.31Å; D265-K267 PolarHBondContact O-N 2.79Å; D265-F268 PolarHBondContact O-N 3.02Å; D265-F269 WeakPolarHBondContact O-CD2 3.24Å; D265-F269 PolarHBondContact O-N 3.05Å; D265-R303 IonicContact OD1-CZ 2.9Å; D265-R303 IonicContact OD1-NE 3.18Å; D265-R303 PolarHBondContact OD1-NE 2.89Å; D265-R303 IonicContact OD1-NH2 2.67Å; D265-R303 PolarHBondContact OD1-NH2 3.02Å
266	S	97.5	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-45.2	170	-59.3	0	0	0	0	111	L261 N262 F270	L261-S266 WeakPolarHBondContact CB-OG 3.43Å; N262-S266 WeakPolarHBondContact O-CB 3.32Å; N262-S266 PolarHBondContact O-N 2.73Å; N262-S266 PolarHBondContact O-OG 3.49Å; S266-F270 WeakPolarHBondContact O-CB 3.49Å; S266-F270 PolarHBondContact O-N 2.86Å
267	K	97.9	Very high	96.1	Very high	24 Å²	24	28 Å²	28	10%	0.104	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-44.6	177.5	-164.8	-173.6	-61.1	-166.9	0	111.9	E263 S264 D265 F270 L271 W427 L428 D430 I433	E263-K267 WeakPolarHBondContact O-CB 3.38Å; E263-K267 PolarHBondContact O-N 3.15Å; S264-K267 WeakPolarHBondContact O-CB 3.41Å; S264-K267 PolarHBondContact O-N 2.92Å; D265-K267 VanDerWaalsContact C-N 3.31Å; D265-K267 PolarHBondContact O-N 2.79Å; K267-F270 PolarHBondContact O-N 3.21Å; K267-L271 VanDerWaalsContact O-CB 3.32Å; K267-L271 WeakPolarHBondContact O-CB 3.26Å; K267-L271 PolarHBondContact O-N 3.39Å; K267-W427 HydrophobicContact CB-CH2 3.63Å; K267-W427 HydrophobicContact CB-CZ2 3.69Å; K267-W427 HydrophobicContact CB-CZ3 4.14Å; K267-W427 VanDerWaalsContact CD-O 3.27Å; K267-W427 WeakPolarHBondContact CD-O 3.38Å; K267-W427 WeakPolarHBondContact CE-O 3.28Å; K267-W427 HydrophobicContact CG-CD2 4.32Å; K267-W427 HydrophobicContact CG-CE3 4.15Å; K267-W427 HydrophobicContact CG-CH2 3.99Å; K267-W427 HydrophobicContact CG-CZ2 4.1Å; K267-W427 HydrophobicContact CG-CZ3 4Å; K267-W427 PolarHBondContact NZ-O 3.45Å; K267-L428 HydrophobicContact CG-CD2 3.74Å; K267-D430 HydrophobicContact CD-CB 3.61Å; K267-D430 WeakPolarHBondContact CD-OD2 3.38Å; K267-D430 WeakPolarHBondContact CE-OD2 3.37Å; K267-D430 IonicContact NZ-OD2 2.73Å; K267-D430 PolarHBondContact NZ-OD2 2.98Å; K267-I433 HydrophobicContact CD-CB 4.41Å; K267-I433 HydrophobicContact CD-CG1 4.32Å; K267-I433 HydrophobicContact CD-CG2 4.42Å; K267-I433 HydrophobicContact CG-CG2 4.29Å
268	F	98.1	Very high	96.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-45.6	177.6	168.8	-91.1	0	0	0	113	S264 D265 Q272 R303 C304 I433 E436 V437 L440	S264-F268 WeakPolarHBondContact O-CB 3.4Å; S264-F268 PolarHBondContact O-N 3.08Å; D265-F268 PolarHBondContact O-N 3.02Å; F268-Q272 VanDerWaalsContact CZ-NE2 3.32Å; F268-Q272 WeakPolarHBondContact O-CG 3.23Å; F268-Q272 PolarHBondContact O-NE2 3.23Å; F268-R303 HydrophobicContact CD1-CB 4.29Å; F268-R303 HydrophobicContact CD1-CG 4.01Å; F268-R303 HydrophobicContact CD2-CG 4.44Å; F268-R303 HydrophobicContact CE1-CB 3.72Å; F268-R303 HydrophobicContact CE1-CG 3.96Å; F268-R303 HydrophobicContact CE2-CB 4.14Å; F268-R303 HydrophobicContact CE2-CG 4.39Å; F268-R303 HydrophobicContact CG-CG 4.27Å; F268-R303 HydrophobicContact CZ-CB 3.64Å; F268-R303 HydrophobicContact CZ-CG 4.17Å; F268-C304 VanDerWaalsContact CE1-O 3.28Å; F268-C304 WeakPolarHBondContact CE1-O 3.23Å; F268-C304 WeakPolarHBondContact CZ-O 3.2Å; F268-I433 HydrophobicContact CB-CD1 4.45Å; F268-I433 HydrophobicContact CB-CG2 3.98Å; F268-E436 HydrophobicContact CD2-CG 4.4Å; F268-E436 HydrophobicContact CE2-CG 3.97Å; F268-V437 HydrophobicContact CD2-CG2 3.67Å; F268-V437 HydrophobicContact CE2-CG2 3.87Å; F268-V437 HydrophobicContact CG-CG2 4.4Å; F268-L440 HydrophobicContact CE2-CD1 3.6Å; F268-L440 HydrophobicContact CZ-CD1 3.47Å; F268-L440 VanDerWaalsContact CZ-CD1 3.47Å
269	F	98.1	Very high	96.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-74.5	-38.8	175.7	-69.4	-55.4	0	0	0	112.3	L251 L261 D265 Q272 M273 L297 D302 I306	L251-F269 HydrophobicContact CD1-CD2 4.44Å; L261-F269 HydrophobicContact CD1-CD2 3.87Å; L261-F269 HydrophobicContact CD1-CE2 4.35Å; D265-F269 WeakPolarHBondContact O-CD2 3.24Å; D265-F269 PolarHBondContact O-N 3.05Å; F269-Q272 PolarHBondContact O-N 3.22Å; F269-M273 HydrophobicContact CB-CE 4.12Å; F269-M273 WeakPolarHBondContact O-CG 3.1Å; F269-M273 PolarHBondContact O-N 2.89Å; F269-M273 VanDerWaalsContact O-N 3.09Å; F269-L297 HydrophobicContact CD1-CD2 4.5Å; F269-L297 HydrophobicContact CE1-CD2 3.99Å; F269-L297 HydrophobicContact CZ-CD2 4.43Å; F269-D302 VanDerWaalsContact CZ-O 3.24Å; F269-D302 WeakPolarHBondContact CZ-O 3.49Å; F269-I306 HydrophobicContact CD1-CG2 3.44Å; F269-I306 VanDerWaalsContact CD1-CG2 3.44Å; F269-I306 HydrophobicContact CE1-CG2 4.02Å; F269-I306 HydrophobicContact CG-CG2 4.38Å
270	F	98.5	Very high	96.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.5	-40.2	-179.6	-168.5	-104.9	0	0	0	112.9	S266 K267 Q272 M273 V274 L355 L359 L404 M408 V422 W427 L428	S266-F270 WeakPolarHBondContact O-CB 3.49Å; S266-F270 PolarHBondContact O-N 2.86Å; K267-F270 PolarHBondContact O-N 3.21Å; F270-Q272 VanDerWaalsContact C-N 3.3Å; F270-Q272 PolarHBondContact O-N 3.15Å; F270-M273 PolarHBondContact O-N 2.95Å; F270-V274 HydrophobicContact CD1-CG2 3.73Å; F270-V274 HydrophobicContact CE1-CG2 3.3Å; F270-V274 HydrophobicContact CE2-CG2 4.15Å; F270-V274 HydrophobicContact CG-CG2 4.31Å; F270-V274 HydrophobicContact CZ-CG2 3.52Å; F270-V274 VanDerWaalsContact O-CG2 3.29Å; F270-V274 WeakPolarHBondContact O-CG2 3.24Å; F270-V274 PolarHBondContact O-N 2.81Å; F270-L355 HydrophobicContact CE2-CB 3.84Å; F270-L355 HydrophobicContact CE2-CD2 3.89Å; F270-L355 HydrophobicContact CE2-CG 4.4Å; F270-L355 WeakPolarHBondContact CE2-O 3.37Å; F270-L355 HydrophobicContact CZ-CB 4.04Å; F270-L359 HydrophobicContact CB-CD1 4.22Å; F270-L359 HydrophobicContact CD1-CD1 4.49Å; F270-L359 HydrophobicContact CD1-CD2 4.15Å; F270-L359 HydrophobicContact CD2-CB 3.89Å; F270-L359 HydrophobicContact CD2-CD1 4.16Å; F270-L359 HydrophobicContact CD2-CD2 4.44Å; F270-L359 HydrophobicContact CD2-CG 4.37Å; F270-L359 HydrophobicContact CE1-CD2 4.01Å; F270-L359 HydrophobicContact CE2-CB 3.8Å; F270-L359 HydrophobicContact CE2-CD2 4.32Å; F270-L359 HydrophobicContact CG-CD1 4.02Å; F270-L359 HydrophobicContact CG-CD2 4.37Å; F270-L359 HydrophobicContact CZ-CB 4.36Å; F270-L359 HydrophobicContact CZ-CD2 4.12Å; F270-L404 HydrophobicContact CE1-CD2 4.08Å; F270-M408 HydrophobicContact CE1-CE 4.02Å; F270-M408 HydrophobicContact CE1-SD 4.45Å; F270-M408 HydrophobicContact CE2-CE 4.17Å; F270-M408 HydrophobicContact CZ-CE 3.41Å; F270-M408 VanDerWaalsContact CZ-CE 3.41Å; F270-M408 HydrophobicContact CZ-SD 3.72Å; F270-V422 HydrophobicContact CE1-CG1 3.89Å; F270-V422 HydrophobicContact CZ-CG1 4.31Å; F270-W427 HydrophobicContact CB-CZ3 4.18Å; F270-W427 AromaticContact CD1-CZ3 3.87Å; F270-W427 HydrophobicContact CD1-CZ3 3.87Å; F270-W427 HydrophobicContact CG-CZ3 4.28Å; F270-L428 HydrophobicContact CD1-CD1 4.29Å; F270-L428 HydrophobicContact CD1-CD2 4.27Å; F270-L428 HydrophobicContact CE1-CD1 4.43Å
271	L	98.3	Very high	96.8	Very high	14 Å²	14	18.4 Å²	18.4	7%	0.073	10%	0.095	C	C	.	.	H	α-helix	trans	-57.7	-43.5	175.2	-179.4	59.3	0	0	0	111.5	K267 V274 V275 L423 L428 I433 Q434 V437	K267-L271 VanDerWaalsContact O-CB 3.32Å; K267-L271 WeakPolarHBondContact O-CB 3.26Å; K267-L271 PolarHBondContact O-N 3.39Å; L271-V274 PolarHBondContact O-N 3.16Å; L271-V275 HydrophobicContact CD1-CG2 4.34Å; L271-V275 VanDerWaalsContact O-CG2 3.31Å; L271-V275 WeakPolarHBondContact O-CG2 3.35Å; L271-V275 PolarHBondContact O-N 2.94Å; L271-L423 HydrophobicContact CD1-CD2 4.38Å; L271-L428 HydrophobicContact CB-CD2 4.25Å; L271-L428 HydrophobicContact CD1-CD1 4.18Å; L271-L428 HydrophobicContact CD1-CD2 4.49Å; L271-I433 HydrophobicContact CD2-CG2 4.35Å; L271-Q434 HydrophobicContact CD2-CB 4.45Å; L271-Q434 HydrophobicContact CD2-CG 3.91Å; L271-V437 HydrophobicContact CD2-CB 4.11Å; L271-V437 HydrophobicContact CD2-CG1 4.32Å; L271-V437 HydrophobicContact CD2-CG2 4.12Å; L271-V437 HydrophobicContact CG-CG1 4.38Å
272	Q	98.4	Very high	96.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.6	-44.2	175.7	-67.3	176.8	64.3	0	0	112.6	F268 F269 F270 V274 V275 A276 C304 L305 I306 V437	F268-Q272 VanDerWaalsContact CZ-NE2 3.32Å; F268-Q272 WeakPolarHBondContact O-CG 3.23Å; F268-Q272 PolarHBondContact O-NE2 3.23Å; F269-Q272 PolarHBondContact O-N 3.22Å; F270-Q272 VanDerWaalsContact C-N 3.3Å; F270-Q272 PolarHBondContact O-N 3.15Å; Q272-V274 PolarHBondContact O-N 3.04Å; Q272-V275 PolarHBondContact O-N 3.46Å; Q272-A276 WeakPolarHBondContact O-CB 3.49Å; Q272-A276 PolarHBondContact O-N 3.06Å; Q272-C304 PolarHBondContact NE2-O 3.17Å; Q272-L305 VanDerWaalsContact OE1-CA 3.28Å; Q272-I306 HydrophobicContact CB-CD1 4.32Å; Q272-I306 HydrophobicContact CB-CG1 3.52Å; Q272-I306 HydrophobicContact CG-CG1 4.47Å; Q272-V437 HydrophobicContact CG-CB 4.43Å; Q272-V437 HydrophobicContact CG-CG1 3.65Å; Q272-V437 HydrophobicContact CG-CG2 3.92Å
273	M	98.4	Very high	96.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-60.6	-44.1	176.1	-71.1	-173	-99.9	0	0	111.5	L251 F269 F270 A276 V277 I295 I306 L355 I358	L251-M273 HydrophobicContact CD2-CE 3.6Å; L251-M273 HydrophobicContact CD2-SD 4.18Å; F269-M273 HydrophobicContact CB-CE 4.12Å; F269-M273 WeakPolarHBondContact O-CG 3.1Å; F269-M273 PolarHBondContact O-N 2.89Å; F269-M273 VanDerWaalsContact O-N 3.09Å; F270-M273 PolarHBondContact O-N 2.95Å; M273-A276 PolarHBondContact O-N 3.14Å; M273-V277 WeakPolarHBondContact O-CB 3.49Å; M273-V277 VanDerWaalsContact O-CG2 3.29Å; M273-V277 WeakPolarHBondContact O-CG2 3.41Å; M273-V277 PolarHBondContact O-N 2.89Å; M273-I295 HydrophobicContact CG-CD1 4.07Å; M273-I295 HydrophobicContact CG-CG1 4.49Å; M273-I295 HydrophobicContact CG-CG2 4.2Å; M273-I295 HydrophobicContact SD-CB 4.47Å; M273-I295 HydrophobicContact SD-CD1 3.85Å; M273-I295 HydrophobicContact SD-CG1 3.74Å; M273-I295 HydrophobicContact SD-CG2 4.03Å; M273-I306 HydrophobicContact CG-CD1 4.05Å; M273-I306 HydrophobicContact CG-CG1 4.35Å; M273-L355 HydrophobicContact CB-CD2 3.91Å; M273-I358 HydrophobicContact CE-CG2 3.88Å; M273-I358 HydrophobicContact SD-CG2 3.87Å
274	V	98.2	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.4	-43.1	178.2	173.3	0	0	0	0	111.4	F270 L271 Q272 V277 K278 L355 I419 V422 L423 L428	F270-V274 HydrophobicContact CD1-CG2 3.73Å; F270-V274 HydrophobicContact CE1-CG2 3.3Å; F270-V274 HydrophobicContact CE2-CG2 4.15Å; F270-V274 HydrophobicContact CG-CG2 4.31Å; F270-V274 HydrophobicContact CZ-CG2 3.52Å; F270-V274 VanDerWaalsContact O-CG2 3.29Å; F270-V274 WeakPolarHBondContact O-CG2 3.24Å; F270-V274 PolarHBondContact O-N 2.81Å; L271-V274 PolarHBondContact O-N 3.16Å; Q272-V274 PolarHBondContact O-N 3.04Å; V274-V277 PolarHBondContact O-N 3.42Å; V274-K278 VanDerWaalsContact O-CB 3.26Å; V274-K278 WeakPolarHBondContact O-CB 3.02Å; V274-K278 PolarHBondContact O-N 3.3Å; V274-L355 HydrophobicContact CG2-CD1 4.34Å; V274-I419 HydrophobicContact CB-CD1 4.43Å; V274-I419 HydrophobicContact CG1-CD1 3.84Å; V274-I419 HydrophobicContact CG1-CG1 4.18Å; V274-V422 HydrophobicContact CB-CG1 4.49Å; V274-V422 HydrophobicContact CG1-CB 4.46Å; V274-V422 HydrophobicContact CG1-CG1 3.87Å; V274-V422 HydrophobicContact CG2-CG1 3.7Å; V274-L423 HydrophobicContact CB-CD2 4.42Å; V274-L423 HydrophobicContact CG1-CD1 4.43Å; V274-L423 HydrophobicContact CG1-CD2 3.48Å; V274-L423 VanDerWaalsContact CG1-CD2 3.48Å; V274-L423 HydrophobicContact CG1-CG 3.52Å; V274-L428 HydrophobicContact CG2-CD1 4.46Å
275	V	97.6	Very high	95.3	Very high	40 Å²	40	20.9 Å²	20.9	24%	0.242	12%	0.115	C	C	.	.	H	α-helix	trans	-65.3	-40.9	176.8	174	0	0	0	0	111.3	L271 Q272 K278 Y279 L423	L271-V275 HydrophobicContact CD1-CG2 4.34Å; L271-V275 VanDerWaalsContact O-CG2 3.31Å; L271-V275 WeakPolarHBondContact O-CG2 3.35Å; L271-V275 PolarHBondContact O-N 2.94Å; Q272-V275 PolarHBondContact O-N 3.46Å; V275-K278 PolarHBondContact O-N 2.96Å; V275-Y279 PolarHBondContact O-N 3.24Å; V275-L423 HydrophobicContact CG2-CD2 3.95Å
276	A	97.5	Very high	94.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.6	-47.2	174.8	0	0	0	0	0	112.5	C225 I226 Q272 M273 K278 Y279 L280 V308	C225-A276 HydrophobicContact CB-CB 3.87Å; I226-A276 HydrophobicContact CD1-CB 4.48Å; I226-A276 HydrophobicContact CG1-CB 3.89Å; Q272-A276 WeakPolarHBondContact O-CB 3.49Å; Q272-A276 PolarHBondContact O-N 3.06Å; M273-A276 PolarHBondContact O-N 3.14Å; A276-K278 VanDerWaalsContact C-N 3.34Å; A276-K278 PolarHBondContact O-N 2.72Å; A276-Y279 PolarHBondContact O-N 2.94Å; A276-L280 PolarHBondContact O-N 2.77Å; A276-V308 HydrophobicContact CB-CB 4.5Å; A276-V308 HydrophobicContact CB-CG2 3.61Å
277	V	96.6	Very high	94.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-37.5	178	172.7	0	0	0	0	111.1	M273 V274 Y279 L280 H281 L290 D351 L355 I419	M273-V277 WeakPolarHBondContact O-CB 3.49Å; M273-V277 VanDerWaalsContact O-CG2 3.29Å; M273-V277 WeakPolarHBondContact O-CG2 3.41Å; M273-V277 PolarHBondContact O-N 2.89Å; V274-V277 PolarHBondContact O-N 3.42Å; V277-Y279 PolarHBondContact O-N 3.38Å; V277-L280 PolarHBondContact O-N 3.13Å; V277-H281 WeakPolarHBondContact CG1-NE2 3.4Å; V277-H281 PolarHBondContact O-CD2 3.33Å; V277-H281 VanDerWaalsContact O-CD2 3.23Å; V277-H281 VanDerWaalsContact O-CG 3.27Å; V277-H281 PolarHBondContact O-N 3.12Å; V277-L290 HydrophobicContact CG1-CD1 4.47Å; V277-L290 HydrophobicContact CG2-CD1 3.67Å; V277-L290 HydrophobicContact CG2-CD2 4.27Å; V277-D351 HydrophobicContact CG1-CB 3.99Å; V277-L355 HydrophobicContact CB-CD1 4.2Å; V277-L355 HydrophobicContact CG1-CD1 4.11Å; V277-L355 HydrophobicContact CG2-CD1 4.2Å; V277-L355 HydrophobicContact CG2-CD2 4.48Å; V277-I419 HydrophobicContact CB-CD1 4.1Å; V277-I419 HydrophobicContact CG1-CD1 3.81Å; V277-I419 HydrophobicContact CG1-CG1 4.25Å
278	K	96.7	Very high	93.8	Very high	51 Å²	51	21.9 Å²	21.9	22%	0.222	12%	0.119	C	C	.	.	H	α-helix	trans	-60.8	-43.8	172.6	-172.4	-123	-176.6	-76.7	0	111.6	V274 V275 A276 L280 H281 D282 I419 Y420 L423	V274-K278 VanDerWaalsContact O-CB 3.26Å; V274-K278 WeakPolarHBondContact O-CB 3.02Å; V274-K278 PolarHBondContact O-N 3.3Å; V275-K278 PolarHBondContact O-N 2.96Å; A276-K278 VanDerWaalsContact C-N 3.34Å; A276-K278 PolarHBondContact O-N 2.72Å; K278-L280 PolarHBondContact O-N 3.46Å; K278-H281 PolarHBondContact O-N 2.79Å; K278-D282 IonicContact NZ-OD1 2.95Å; K278-D282 PolarHBondContact NZ-OD1 2.62Å; K278-D282 IonicContact NZ-OD2 2.72Å; K278-D282 PolarHBondContact NZ-OD2 2.65Å; K278-D282 PolarHBondContact O-N 3.12Å; K278-I419 HydrophobicContact CB-CG1 3.84Å; K278-I419 HydrophobicContact CB-CG2 4.17Å; K278-I419 HydrophobicContact CG-CG2 4.07Å; K278-Y420 HydrophobicContact CG-CE1 4.47Å; K278-L423 HydrophobicContact CB-CD1 4.02Å; K278-L423 HydrophobicContact CD-CD1 3.7Å; K278-L423 HydrophobicContact CG-CD1 3.72Å
279	Y	95.9	Very high	93.2	Very high	41 Å²	41	22.8 Å²	22.8	16%	0.161	12%	0.124	C	C	.	.	H	α-helix	trans	-61.1	-41.5	174.9	178.8	-80.7	0	0	0	112	L221 N222 H223 I226 V275 A276 V277 D282 H283	L221-Y279 HydrophobicContact CB-CE1 4.21Å; L221-Y279 HydrophobicContact CD2-CE1 3.92Å; N222-Y279 PolarHBondContact N-OH 2.94Å; N222-Y279 PolarHBondContact O-OH 3.37Å; N222-Y279 VanDerWaalsContact O-OH 3.12Å; H223-Y279 HydrophobicContact CB-CD1 4.01Å; H223-Y279 HydrophobicContact CB-CD2 4.03Å; H223-Y279 HydrophobicContact CB-CE1 3.99Å; H223-Y279 HydrophobicContact CB-CE2 4.02Å; H223-Y279 HydrophobicContact CB-CG 4.02Å; H223-Y279 AromaticContact CD2-CD2 3.91Å; I226-Y279 HydrophobicContact CD1-CD1 3.37Å; I226-Y279 HydrophobicContact CD1-CE1 4.02Å; I226-Y279 HydrophobicContact CD1-CG 4.1Å; V275-Y279 PolarHBondContact O-N 3.24Å; A276-Y279 PolarHBondContact O-N 2.94Å; V277-Y279 PolarHBondContact O-N 3.38Å; Y279-D282 PolarHBondContact O-N 3.44Å; Y279-H283 AromaticContact CD1-ND1 3.82Å; Y279-H283 AromaticContact CD2-CE1 3.91Å; Y279-H283 AromaticContact CE1-CE1 3.68Å; Y279-H283 AromaticContact CE1-ND1 3.72Å; Y279-H283 AromaticContact CE2-CE1 3.5Å; Y279-H283 VanDerWaalsContact CE2-CE1 3.5Å; Y279-H283 WeakPolarHBondContact CE2-CE1 3.31Å; Y279-H283 AromaticContact CZ-CE1 3.37Å; Y279-H283 AromaticContact CZ-ND1 3.9Å; Y279-H283 AromaticContact CZ-NE2 4Å; Y279-H283 PolarHBondContact O-N 2.97Å; Y279-H283 PolarHBondContact O-ND1 3.04Å
280	L	93.4	Very high	92.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-44.3	173.5	-68.8	175.4	0	0	0	111.4	L221 I226 A276 V277 K278 D282 H283 G284 I285 H287 F311	L221-L280 HydrophobicContact CD1-CD2 3.91Å; I226-L280 HydrophobicContact CD1-CD2 3.92Å; I226-L280 HydrophobicContact CD1-CG 3.88Å; A276-L280 PolarHBondContact O-N 2.77Å; V277-L280 PolarHBondContact O-N 3.13Å; K278-L280 PolarHBondContact O-N 3.46Å; L280-D282 PolarHBondContact O-N 2.86Å; L280-H283 CarbonylContact O-C 3.45Å; L280-H283 PolarHBondContact O-N 3.48Å; L280-H283 VanDerWaalsContact O-N 3.15Å; L280-G284 PolarHBondContact O-N 3.49Å; L280-I285 CarbonylContact C-O 3.59Å; L280-I285 VanDerWaalsContact C-O 3.25Å; L280-I285 HydrophobicContact CB-CB 4.28Å; L280-I285 WeakPolarHBondContact CB-O 3.22Å; L280-I285 HydrophobicContact CD2-CB 4.39Å; L280-I285 HydrophobicContact CD2-CD1 4.49Å; L280-I285 HydrophobicContact CD2-CG2 4.21Å; L280-I285 WeakPolarHBondContact O-CA 3.48Å; L280-I285 WeakPolarHBondContact O-CB 3.38Å; L280-I285 PolarHBondContact O-N 3.21Å; L280-H287 HydrophobicContact CD1-CB 4.49Å; L280-F311 HydrophobicContact CD1-CB 3.92Å; L280-F311 HydrophobicContact CD1-CD1 4.46Å; L280-F311 HydrophobicContact CD1-CG 4.22Å; L280-F311 HydrophobicContact CD2-CB 4.49Å; L280-F311 HydrophobicContact CD2-CD2 4.1Å; L280-F311 HydrophobicContact CD2-CG 4.11Å
281	H	92.1	Very high	92.5	Very high	19 Å²	19	24 Å²	24	9%	0.088	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-37.9	178.8	-68.2	-172.3	0	0	0	112.4	V277 K278 H283 G284 I285 C348 D351 I419	V277-H281 WeakPolarHBondContact CG1-NE2 3.4Å; V277-H281 PolarHBondContact O-CD2 3.33Å; V277-H281 VanDerWaalsContact O-CD2 3.23Å; V277-H281 VanDerWaalsContact O-CG 3.27Å; V277-H281 PolarHBondContact O-N 3.12Å; K278-H281 PolarHBondContact O-N 2.79Å; H281-H283 PolarHBondContact O-N 3.47Å; H281-G284 PolarHBondContact O-N 3.25Å; H281-I285 PolarHBondContact CD2-O 3.23Å; H281-C348 PolarHBondContact CE1-O 3.35Å; H281-D351 IonicContact CD2-OD2 2.69Å; H281-D351 IonicContact CE1-OD2 2.87Å; H281-D351 IonicContact NE2-OD2 2.7Å; H281-D351 PolarHBondContact NE2-OD2 3.32Å; H281-I419 HydrophobicContact CB-CG2 4.4Å
282	D	92.2	Very high	92.3	Very high	75 Å²	75	23.4 Å²	23.4	40%	0.401	13%	0.126	S	C	.	.	H	α-helix	trans	-59.4	-33.8	173.8	-65.5	-21.8	0	0	0	112.2	K278 Y279 L280 G284 Y420	K278-D282 IonicContact NZ-OD1 2.95Å; K278-D282 PolarHBondContact NZ-OD1 2.62Å; K278-D282 IonicContact NZ-OD2 2.72Å; K278-D282 PolarHBondContact NZ-OD2 2.65Å; K278-D282 PolarHBondContact O-N 3.12Å; Y279-D282 PolarHBondContact O-N 3.44Å; L280-D282 PolarHBondContact O-N 2.86Å; D282-G284 VanDerWaalsContact C-N 3.32Å; D282-Y420 PolarHBondContact OD1-OH 2.7Å; D282-Y420 VanDerWaalsContact OD1-OH 3.12Å
283	H	88.6	Confident	91.9	Very high	93 Å²	93	25.4 Å²	25.4	43%	0.431	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	11.9	177.1	-65.1	80.6	0	0	0	113	L221 Y279 L280 H281 I285	L221-H283 HydrophobicContact CD2-CB 4.03Å; Y279-H283 AromaticContact CD1-ND1 3.82Å; Y279-H283 AromaticContact CD2-CE1 3.91Å; Y279-H283 AromaticContact CE1-CE1 3.68Å; Y279-H283 AromaticContact CE1-ND1 3.72Å; Y279-H283 AromaticContact CE2-CE1 3.5Å; Y279-H283 VanDerWaalsContact CE2-CE1 3.5Å; Y279-H283 WeakPolarHBondContact CE2-CE1 3.31Å; Y279-H283 AromaticContact CZ-CE1 3.37Å; Y279-H283 AromaticContact CZ-ND1 3.9Å; Y279-H283 AromaticContact CZ-NE2 4Å; Y279-H283 PolarHBondContact O-N 2.97Å; Y279-H283 PolarHBondContact O-ND1 3.04Å; L280-H283 CarbonylContact O-C 3.45Å; L280-H283 PolarHBondContact O-N 3.48Å; L280-H283 VanDerWaalsContact O-N 3.15Å; H281-H283 PolarHBondContact O-N 3.47Å; H283-I285 VanDerWaalsContact C-N 3.33Å; H283-I285 HydrophobicContact CB-CD1 4.43Å; H283-I285 PolarHBondContact O-N 3.24Å
284	G	84.7	Confident	91.6	Very high	53 Å²	53	25.9 Å²	25.9	55%	0.546	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	26.7	178.8	0	0	0	0	0	114.2	L280 H281 D282 K315	L280-G284 PolarHBondContact O-N 3.49Å; H281-G284 PolarHBondContact O-N 3.25Å; D282-G284 VanDerWaalsContact C-N 3.32Å; G284-K315 PolarHBondContact O-NZ 3.46Å
285	I	85.2	Confident	91.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.138	C	C	.	.			trans	-111.9	111.6	180	-58.5	171.8	0	0	0	109.5	I217 L218 L221 L280 H281 H283	I217-I285 HydrophobicContact CG2-CD1 4.05Å; L218-I285 HydrophobicContact CD2-CD1 4.04Å; L221-I285 HydrophobicContact CD1-CD1 3.7Å; L221-I285 HydrophobicContact CD2-CD1 3.94Å; L221-I285 HydrophobicContact CG-CD1 4.31Å; L280-I285 CarbonylContact C-O 3.59Å; L280-I285 VanDerWaalsContact C-O 3.25Å; L280-I285 HydrophobicContact CB-CB 4.28Å; L280-I285 WeakPolarHBondContact CB-O 3.22Å; L280-I285 HydrophobicContact CD2-CB 4.39Å; L280-I285 HydrophobicContact CD2-CD1 4.49Å; L280-I285 HydrophobicContact CD2-CG2 4.21Å; L280-I285 WeakPolarHBondContact O-CA 3.48Å; L280-I285 WeakPolarHBondContact O-CB 3.38Å; L280-I285 PolarHBondContact O-N 3.21Å; H281-I285 PolarHBondContact CD2-O 3.23Å; H283-I285 VanDerWaalsContact C-N 3.33Å; H283-I285 HydrophobicContact CB-CD1 4.43Å; H283-I285 PolarHBondContact O-N 3.24Å
286	T	86.7	Confident	91.5	Very high	22 Å²	22	25.6 Å²	25.6	14%	0.135	14%	0.135	C	C	.	.			trans	-82.5	138	163	-49.3	0	0	0	0	108.8	R288 I350 D351	T286-R288 HydrophobicContact CG2-CG 3.97Å; T286-I350 HydrophobicContact CG2-CD1 3.81Å; T286-I350 HydrophobicContact CG2-CG1 3.68Å; T286-D351 WeakPolarHBondContact CG2-OD1 3.28Å; T286-D351 WeakPolarHBondContact CG2-OD2 3.36Å
287	H	88.4	Confident	91.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	14%	0.135	C	C	.	.			trans	-77.7	-38.3	-178.6	-168.7	-49.7	0	0	0	112.6	L280 D289 L290 V308 T309 D351	L280-H287 HydrophobicContact CD1-CB 4.49Å; H287-D289 PolarHBondContact CE1-O 3.02Å; H287-D289 PolarHBondContact ND1-O 3.46Å; H287-D289 PolarHBondContact O-N 3.5Å; H287-L290 HydrophobicContact CB-CD1 4.28Å; H287-L290 HydrophobicContact CB-CD2 4.41Å; H287-L290 HydrophobicContact CB-CG 3.9Å; H287-L290 WeakPolarHBondContact CD2-CD2 3.19Å; H287-V308 WeakPolarHBondContact CD2-CG1 3.39Å; H287-V308 WeakPolarHBondContact NE2-CG1 3.29Å; H287-T309 PolarHBondContact CE1-O 3.37Å; H287-T309 VanDerWaalsContact CE1-O 3.27Å; H287-T309 PolarHBondContact NE2-O 3.36Å; H287-D351 PolarHBondContact N-OD1 2.94Å; H287-D351 PolarHBondContact N-OD2 2.92Å
288	R	86.4	Confident	91.4	Very high	48 Å²	48	28.2 Å²	28.2	18%	0.181	15%	0.151	C	C	.	.	S	Bend	trans	66.6	-31.1	178.7	-45.5	-161.4	171.3	130.7	-16.9	116.6	T286 S314 E319 I350 D351	T286-R288 HydrophobicContact CG2-CG 3.97Å; R288-S314 WeakPolarHBondContact CD-OG 3.42Å; R288-S314 PolarHBondContact NH1-O 3.14Å; R288-S314 PolarHBondContact NH1-OG 2.91Å; R288-E319 IonicContact CZ-OE1 3.31Å; R288-E319 IonicContact NH1-OE1 3.12Å; R288-E319 PolarHBondContact NH1-OE1 3.19Å; R288-E319 IonicContact NH2-OE1 2.81Å; R288-E319 PolarHBondContact NH2-OE1 2.77Å; R288-E319 IonicContact NH2-OE2 2.7Å; R288-I350 HydrophobicContact CB-CD1 4.28Å; R288-I350 HydrophobicContact CG-CD1 4.11Å; R288-D351 PolarHBondContact N-OD1 2.77Å
289	D	84.6	Confident	91.2	Very high	19 Å²	19	28 Å²	28	10%	0.102	16%	0.155	C	C	.	.			trans	-121.2	56.6	-179.5	-174.4	35.3	0	0	0	112.4	H287 K291 N294	H287-D289 PolarHBondContact CE1-O 3.02Å; H287-D289 PolarHBondContact ND1-O 3.46Å; H287-D289 PolarHBondContact O-N 3.5Å; D289-K291 IonicContact OD1-NZ 2.74Å; D289-K291 PolarHBondContact OD1-NZ 3.18Å; D289-K291 IonicContact OD2-NZ 3.61Å; D289-K291 PolarHBondContact OD2-NZ 2.87Å; D289-N294 PolarHBondContact O-ND2 2.88Å; D289-N294 PolarHBondContact OD2-ND2 2.78Å
290	L	92	Very high	91	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.18	C	C	.	.			trans	-83.3	123.8	175.3	-83	173.6	0	0	0	111.5	V277 H287 I295 V308 D351 S354 L355 I358	V277-L290 HydrophobicContact CG1-CD1 4.47Å; V277-L290 HydrophobicContact CG2-CD1 3.67Å; V277-L290 HydrophobicContact CG2-CD2 4.27Å; H287-L290 HydrophobicContact CB-CD1 4.28Å; H287-L290 HydrophobicContact CB-CD2 4.41Å; H287-L290 HydrophobicContact CB-CG 3.9Å; H287-L290 WeakPolarHBondContact CD2-CD2 3.19Å; L290-I295 HydrophobicContact CD2-CD1 4.25Å; L290-V308 HydrophobicContact CD2-CG1 4.25Å; L290-D351 HydrophobicContact CD1-CB 3.65Å; L290-S354 WeakPolarHBondContact O-CB 3.44Å; L290-L355 HydrophobicContact CD1-CD2 4.48Å; L290-L355 HydrophobicContact CD1-CG 4.11Å; L290-I358 HydrophobicContact CB-CD1 4.23Å
291	K	91.3	Very high	91	Very high	24 Å²	24	35.7 Å²	35.7	10%	0.104	20%	0.199	C	C	.	.			trans	-157.9	157.7	175.9	55.8	172.6	174.9	-92.5	0	110.2	D289 E293 N294 Y332	D289-K291 IonicContact OD1-NZ 2.74Å; D289-K291 PolarHBondContact OD1-NZ 3.18Å; D289-K291 IonicContact OD2-NZ 3.61Å; D289-K291 PolarHBondContact OD2-NZ 2.87Å; K291-E293 WeakPolarHBondContact CB-OE2 3.27Å; K291-E293 HydrophobicContact CD-CB 4.1Å; K291-E293 HydrophobicContact CD-CG 4.4Å; K291-E293 HydrophobicContact CG-CB 4.24Å; K291-E293 PolarHBondContact O-N 2.99Å; K291-E293 VanDerWaalsContact O-N 3.09Å; K291-N294 WeakPolarHBondContact CE-OD1 3.19Å; K291-N294 HydrophobicContact CG-CB 4.18Å; K291-N294 PolarHBondContact NZ-ND2 3.12Å; K291-N294 PolarHBondContact O-N 3.42Å; K291-Y332 HydrophobicContact CB-CD1 4.09Å; K291-Y332 HydrophobicContact CB-CD2 3.67Å; K291-Y332 HydrophobicContact CB-CE1 4.14Å; K291-Y332 HydrophobicContact CB-CE2 3.67Å; K291-Y332 HydrophobicContact CB-CG 3.87Å; K291-Y332 HydrophobicContact CD-CD2 4.49Å; K291-Y332 HydrophobicContact CD-CE2 4.37Å
292	P	92.6	Very high	90.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.9	-20.7	-177.6	-22.9	33.7	0	0	0	115.1	L251 F252 I255 I295 Y332 I358	L251-P292 PolarHBondContact N-O 2.87Å; F252-P292 HydrophobicContact CB-CB 3.95Å; F252-P292 HydrophobicContact CD2-CB 4.3Å; F252-P292 PolarHBondContact N-O 2.72Å; F252-P292 VanDerWaalsContact N-O 3.1Å; I255-P292 HydrophobicContact CD1-CB 4.4Å; P292-I295 PolarHBondContact O-N 2.86Å; P292-Y332 VanDerWaalsContact CD-CZ 3.5Å; P292-Y332 WeakPolarHBondContact CD-OH 3.28Å; P292-Y332 HydrophobicContact CG-CE1 4.14Å; P292-I358 HydrophobicContact CG-CG1 4.05Å; P292-I358 HydrophobicContact CG-CG2 4.39Å
293	E	90.4	Very high	90.9	Very high	42 Å²	42	40.2 Å²	40.2	20%	0.196	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-70	-32.7	172.6	-57.3	91.7	132.6	0	0	111.7	F252 K291 I295 Y332	F252-E293 HydrophobicContact CB-CG 3.96Å; F252-E293 HydrophobicContact CD2-CG 4.29Å; F252-E293 HydrophobicContact CG-CG 4.03Å; K291-E293 WeakPolarHBondContact CB-OE2 3.27Å; K291-E293 HydrophobicContact CD-CB 4.1Å; K291-E293 HydrophobicContact CD-CG 4.4Å; K291-E293 HydrophobicContact CG-CB 4.24Å; K291-E293 PolarHBondContact O-N 2.99Å; K291-E293 VanDerWaalsContact O-N 3.09Å; E293-I295 VanDerWaalsContact C-N 3.27Å; E293-I295 PolarHBondContact O-N 2.63Å; E293-Y332 PolarHBondContact OE2-OH 3.27Å
294	N	93.1	Very high	91.2	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.064	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-89	10.6	177.6	-68.8	-2.7	0	0	0	112.7	D289 K291 T309	D289-N294 PolarHBondContact O-ND2 2.88Å; D289-N294 PolarHBondContact OD2-ND2 2.78Å; K291-N294 WeakPolarHBondContact CE-OD1 3.19Å; K291-N294 HydrophobicContact CG-CB 4.18Å; K291-N294 PolarHBondContact NZ-ND2 3.12Å; K291-N294 PolarHBondContact O-N 3.42Å; N294-T309 HydrophobicContact CB-CG2 4.37Å; N294-T309 WeakPolarHBondContact O-CG2 3.07Å; N294-T309 PolarHBondContact O-N 2.99Å
295	I	96.2	Very high	91.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	101.1	173.9	-52	-62.5	0	0	0	108	L251 M273 L290 P292 E293 I306 V308	L251-I295 HydrophobicContact CB-CB 3.98Å; L251-I295 HydrophobicContact CB-CG2 4.02Å; L251-I295 WeakPolarHBondContact CB-O 3.49Å; L251-I295 HydrophobicContact CD2-CB 4.11Å; L251-I295 HydrophobicContact CD2-CG2 3.84Å; L251-I295 PolarHBondContact N-O 2.98Å; M273-I295 HydrophobicContact CG-CD1 4.07Å; M273-I295 HydrophobicContact CG-CG1 4.49Å; M273-I295 HydrophobicContact CG-CG2 4.2Å; M273-I295 HydrophobicContact SD-CB 4.47Å; M273-I295 HydrophobicContact SD-CD1 3.85Å; M273-I295 HydrophobicContact SD-CG1 3.74Å; M273-I295 HydrophobicContact SD-CG2 4.03Å; L290-I295 HydrophobicContact CD2-CD1 4.25Å; P292-I295 PolarHBondContact O-N 2.86Å; E293-I295 VanDerWaalsContact C-N 3.27Å; E293-I295 PolarHBondContact O-N 2.63Å; I295-I306 HydrophobicContact CG2-CB 3.93Å; I295-I306 HydrophobicContact CG2-CD1 4.3Å; I295-I306 HydrophobicContact CG2-CG1 4.49Å; I295-I306 HydrophobicContact CG2-CG2 4.21Å; I295-V308 HydrophobicContact CD1-CG2 3.91Å
296	L	96	Very high	92.4	Very high	33 Å²	33	34.4 Å²	34.4	17%	0.173	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	153.6	178.6	-53	-179.6	0	0	0	110.7	I227 V246 E250 I306 K307 T309	I227-L296 HydrophobicContact CD1-CD1 4.41Å; V246-L296 HydrophobicContact CB-CB 4.33Å; V246-L296 HydrophobicContact CB-CD1 4.13Å; V246-L296 HydrophobicContact CG1-CB 3.69Å; V246-L296 HydrophobicContact CG1-CD1 4.39Å; E250-L296 HydrophobicContact CG-CD2 3.9Å; L296-I306 CarbonylContact O-C 3.59Å; L296-I306 VanDerWaalsContact O-CA 3.23Å; L296-I306 WeakPolarHBondContact O-CA 3.01Å; L296-K307 HydrophobicContact CB-CB 4.23Å; L296-K307 PolarHBondContact N-O 3.42Å; L296-K307 PolarHBondContact O-N 2.99Å; L296-T309 HydrophobicContact CD1-CG2 4.01Å; L296-T309 HydrophobicContact CD2-CG2 4.38Å; L296-T309 HydrophobicContact CG-CG2 3.89Å
297	L	97	Very high	92.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.8	176.4	-56.9	-178.4	0	0	0	109.2	V246 G248 G249 L251 R254 F269 S299 I306	V246-L297 WeakPolarHBondContact CG1-O 3.39Å; G248-L297 CarbonylContact C-O 3.55Å; G248-L297 WeakPolarHBondContact CA-O 3.45Å; G248-L297 PolarHBondContact N-O 2.93Å; G248-L297 VanDerWaalsContact N-O 3.13Å; G249-L297 WeakPolarHBondContact O-CB 3.28Å; G249-L297 PolarHBondContact O-N 3.2Å; L251-L297 HydrophobicContact CB-CD2 4.31Å; L251-L297 HydrophobicContact CD1-CD2 4.34Å; R254-L297 HydrophobicContact CB-CD1 3.9Å; R254-L297 HydrophobicContact CG-CD1 4.25Å; F269-L297 HydrophobicContact CD1-CD2 4.5Å; F269-L297 HydrophobicContact CE1-CD2 3.99Å; F269-L297 HydrophobicContact CZ-CD2 4.43Å; L297-S299 PolarHBondContact O-N 2.68Å; L297-I306 HydrophobicContact CD2-CG2 3.96Å
298	T	95.1	Very high	93.3	Very high	54 Å²	54	34.1 Å²	34.1	33%	0.331	18%	0.175	S	C	.	.	S	Bend	trans	-66.3	-23.2	177.2	48.2	0	0	0	0	113.8	L305 K307	T298-L305 WeakPolarHBondContact CB-O 3.16Å; T298-L305 HydrophobicContact CG2-CB 3.84Å; T298-L305 WeakPolarHBondContact CG2-O 3.42Å; T298-L305 PolarHBondContact N-O 2.85Å; T298-L305 PolarHBondContact OG1-N 3.4Å; T298-L305 VanDerWaalsContact OG1-N 3.12Å; T298-L305 PolarHBondContact OG1-O 3.21Å; T298-K307 HydrophobicContact CG2-CG 4.01Å
299	S	93.4	Very high	93.6	Very high	45 Å²	45	32.4 Å²	32.4	32%	0.315	17%	0.17	S	C	.	.	S	Bend	trans	-154	179.8	175	79.3	0	0	0	0	112.8	L297 A301	L297-S299 PolarHBondContact O-N 2.68Å; S299-A301 VanDerWaalsContact C-N 3.32Å; S299-A301 WeakPolarHBondContact OG-CB 3.47Å; S299-A301 PolarHBondContact OG-N 2.75Å; S299-A301 VanDerWaalsContact OG-N 3.14Å
300	K	91	Very high	93.7	Very high	154 Å²	154	32.6 Å²	32.6	67%	0.67	17%	0.171	S	C	*	.	S	Bend	trans	-86.1	3.6	171.6	-62.5	-59.7	-171.9	-175.3	0	113.8	G248	G248-K300 WeakPolarHBondContact O-CD 3.28Å; G248-K300 WeakPolarHBondContact O-CE 3.32Å; G248-K300 PolarHBondContact O-NZ 2.95Å
301	A	93.1	Very high	93.3	Very high	50 Å²	50	32.9 Å²	32.9	41%	0.413	17%	0.172	S	C	.	.	S	Bend	trans	-68	149.3	175.7	0	0	0	0	0	111.5	R254 S299 R303	R254-A301 PolarHBondContact NH1-O 3.18Å; R254-A301 PolarHBondContact NH2-O 3.39Å; S299-A301 VanDerWaalsContact C-N 3.32Å; S299-A301 WeakPolarHBondContact OG-CB 3.47Å; S299-A301 PolarHBondContact OG-N 2.75Å; S299-A301 VanDerWaalsContact OG-N 3.14Å; A301-R303 PolarHBondContact O-N 3.13Å
302	D	89.8	Confident	92.1	Very high	115 Å²	115	31.8 Å²	31.8	62%	0.615	17%	0.168	S	C	*	.	S	Bend	trans	-55.7	-49.9	-176.3	-67	-44.5	0	0	0	111.5	R254 F269	R254-D302 PolarHBondContact NH1-O 3.27Å; F269-D302 VanDerWaalsContact CZ-O 3.24Å; F269-D302 WeakPolarHBondContact CZ-O 3.49Å
303	R	93.7	Very high	90.6	Very high	73 Å²	73	32 Å²	32	28%	0.275	17%	0.169	S	C	.	.	S	Bend	trans	-106.1	125.3	168.1	-66.3	-172.8	-176.1	-179.2	0.7	110.5	S264 D265 F268 A301 E436	S264-R303 PolarHBondContact OG-NH2 3.12Å; D265-R303 IonicContact OD1-CZ 2.9Å; D265-R303 IonicContact OD1-NE 3.18Å; D265-R303 PolarHBondContact OD1-NE 2.89Å; D265-R303 IonicContact OD1-NH2 2.67Å; D265-R303 PolarHBondContact OD1-NH2 3.02Å; F268-R303 HydrophobicContact CD1-CB 4.29Å; F268-R303 HydrophobicContact CD1-CG 4.01Å; F268-R303 HydrophobicContact CD2-CG 4.44Å; F268-R303 HydrophobicContact CE1-CB 3.72Å; F268-R303 HydrophobicContact CE1-CG 3.96Å; F268-R303 HydrophobicContact CE2-CB 4.14Å; F268-R303 HydrophobicContact CE2-CG 4.39Å; F268-R303 HydrophobicContact CG-CG 4.27Å; F268-R303 HydrophobicContact CZ-CB 3.64Å; F268-R303 HydrophobicContact CZ-CG 4.17Å; A301-R303 PolarHBondContact O-N 3.13Å; R303-E436 WeakPolarHBondContact CD-OE1 3.39Å; R303-E436 VanDerWaalsContact CD-OE2 3.27Å; R303-E436 WeakPolarHBondContact CD-OE2 3.46Å; R303-E436 IonicContact CZ-OE2 3.75Å; R303-E436 IonicContact NE-OE2 3.59Å; R303-E436 IonicContact NH1-OE2 2.68Å; R303-E436 PolarHBondContact NH1-OE2 3.4Å
304	C	95.4	Very high	89.1	Confident	7 Å²	7	30.5 Å²	30.5	5%	0.047	16%	0.163	C	C	.	.			trans	-154.5	171.8	176.8	58.6	0	0	0	0	110.1	F268 Q272	F268-C304 VanDerWaalsContact CE1-O 3.28Å; F268-C304 WeakPolarHBondContact CE1-O 3.23Å; F268-C304 WeakPolarHBondContact CZ-O 3.2Å; Q272-C304 PolarHBondContact NE2-O 3.17Å
305	L	97.1	Very high	87.3	Confident	19 Å²	19	32.9 Å²	32.9	10%	0.099	17%	0.173	C	C	.	.			trans	-70.6	139.4	173	-75.5	170.9	0	0	0	111	Q272 T298 L440 I441 A444	Q272-L305 VanDerWaalsContact OE1-CA 3.28Å; T298-L305 WeakPolarHBondContact CB-O 3.16Å; T298-L305 HydrophobicContact CG2-CB 3.84Å; T298-L305 WeakPolarHBondContact CG2-O 3.42Å; T298-L305 PolarHBondContact N-O 2.85Å; T298-L305 PolarHBondContact OG1-N 3.4Å; T298-L305 VanDerWaalsContact OG1-N 3.12Å; T298-L305 PolarHBondContact OG1-O 3.21Å; L305-L440 HydrophobicContact CD2-CB 3.77Å; L305-L440 HydrophobicContact CG-CB 4.03Å; L305-I441 HydrophobicContact CD2-CG1 3.98Å; L305-A444 HydrophobicContact CD1-CB 3.47Å; L305-A444 VanDerWaalsContact CD1-CB 3.47Å
306	I	98	Very high	85.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	159.9	166.4	69.4	93.6	0	0	0	110.6	C225 F269 Q272 M273 I295 L296 L297 V308	C225-I306 VanDerWaalsContact CA-O 3.26Å; C225-I306 WeakPolarHBondContact CA-O 3.47Å; C225-I306 HydrophobicContact CB-CD1 3.96Å; C225-I306 HydrophobicContact CB-CG1 4.33Å; F269-I306 HydrophobicContact CD1-CG2 3.44Å; F269-I306 VanDerWaalsContact CD1-CG2 3.44Å; F269-I306 HydrophobicContact CE1-CG2 4.02Å; F269-I306 HydrophobicContact CG-CG2 4.38Å; Q272-I306 HydrophobicContact CB-CD1 4.32Å; Q272-I306 HydrophobicContact CB-CG1 3.52Å; Q272-I306 HydrophobicContact CG-CG1 4.47Å; M273-I306 HydrophobicContact CG-CD1 4.05Å; M273-I306 HydrophobicContact CG-CG1 4.35Å; I295-I306 HydrophobicContact CG2-CB 3.93Å; I295-I306 HydrophobicContact CG2-CD1 4.3Å; I295-I306 HydrophobicContact CG2-CG1 4.49Å; I295-I306 HydrophobicContact CG2-CG2 4.21Å; L296-I306 CarbonylContact O-C 3.59Å; L296-I306 VanDerWaalsContact O-CA 3.23Å; L296-I306 WeakPolarHBondContact O-CA 3.01Å; L297-I306 HydrophobicContact CD2-CG2 3.96Å; I306-V308 HydrophobicContact CD1-CG2 3.69Å
307	K	97.3	Very high	83.2	Confident	17 Å²	17	32.8 Å²	32.8	7%	0.074	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	110.6	173.4	-73.5	-78.1	-178.6	165.2	0	109	P224 I226 I227 E244 V246 L296 T298 T309	P224-K307 WeakPolarHBondContact O-CD 3.23Å; P224-K307 WeakPolarHBondContact O-CE 3.37Å; P224-K307 PolarHBondContact O-NZ 2.95Å; I226-K307 WeakPolarHBondContact O-CD 3.31Å; I226-K307 PolarHBondContact O-NZ 3.28Å; I227-K307 HydrophobicContact CD1-CB 4.1Å; I227-K307 HydrophobicContact CD1-CD 4.43Å; I227-K307 HydrophobicContact CD1-CG 4.41Å; E244-K307 WeakPolarHBondContact OE1-CE 3.26Å; E244-K307 IonicContact OE1-NZ 2.8Å; E244-K307 PolarHBondContact OE1-NZ 3.5Å; E244-K307 VanDerWaalsContact OE2-CE 3.31Å; E244-K307 WeakPolarHBondContact OE2-CE 3.46Å; E244-K307 IonicContact OE2-NZ 3.39Å; E244-K307 PolarHBondContact OE2-NZ 2.71Å; V246-K307 HydrophobicContact CG2-CB 4.26Å; V246-K307 HydrophobicContact CG2-CG 3.95Å; L296-K307 HydrophobicContact CB-CB 4.23Å; L296-K307 PolarHBondContact N-O 3.42Å; L296-K307 PolarHBondContact O-N 2.99Å; T298-K307 HydrophobicContact CG2-CG 4.01Å; K307-T309 PolarHBondContact O-N 2.86Å
308	V	96.6	Very high	81	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122.2	171.8	-178.6	0	0	0	0	108.8	C225 I227 A276 H287 L290 I295 I306	C225-V308 PolarHBondContact O-N 2.72Å; I227-V308 PolarHBondContact N-O 2.9Å; A276-V308 HydrophobicContact CB-CB 4.5Å; A276-V308 HydrophobicContact CB-CG2 3.61Å; H287-V308 WeakPolarHBondContact CD2-CG1 3.39Å; H287-V308 WeakPolarHBondContact NE2-CG1 3.29Å; L290-V308 HydrophobicContact CD2-CG1 4.25Å; I295-V308 HydrophobicContact CD1-CG2 3.91Å; I306-V308 HydrophobicContact CD1-CG2 3.69Å
309	T	92.4	Very high	78.8	Confident	13 Å²	13	38.6 Å²	38.6	8%	0.08	20%	0.2	C	C	.	.			trans	-116.3	170.2	176.5	-173.8	0	0	0	0	110.8	H287 N294 L296 K307 F311	H287-T309 PolarHBondContact CE1-O 3.37Å; H287-T309 VanDerWaalsContact CE1-O 3.27Å; H287-T309 PolarHBondContact NE2-O 3.36Å; N294-T309 HydrophobicContact CB-CG2 4.37Å; N294-T309 WeakPolarHBondContact O-CG2 3.07Å; N294-T309 PolarHBondContact O-N 2.99Å; L296-T309 HydrophobicContact CD1-CG2 4.01Å; L296-T309 HydrophobicContact CD2-CG2 4.38Å; L296-T309 HydrophobicContact CG-CG2 3.89Å; K307-T309 PolarHBondContact O-N 2.86Å; T309-F311 PolarHBondContact O-N 3.35Å
310	D	86.5	Confident	76.3	Confident	22 Å²	22	37.9 Å²	37.9	12%	0.118	20%	0.199	C	C	.	.	S	Bend	trans	69.7	7.8	171.6	-72.6	30.8	0	0	0	115.9	F172 K190	F172-D310 WeakPolarHBondContact CD2-OD2 3.38Å; K190-D310 IonicContact NZ-OD1 2.69Å; K190-D310 PolarHBondContact NZ-OD1 2.75Å; K190-D310 IonicContact NZ-OD2 3.73Å; K190-D310 PolarHBondContact NZ-OD2 3.37Å
311	F	83.3	Confident	74.1	Confident	8 Å²	8	31.2 Å²	31.2	4%	0.035	17%	0.171	C	C	.	.			trans	-62.9	161.8	162.8	65.1	-97.2	0	0	0	112	L218 L221 I226 I227 I229 L280 T309 V313	L218-F311 HydrophobicContact CD2-CD2 3.86Å; L218-F311 HydrophobicContact CD2-CE2 3.72Å; L221-F311 HydrophobicContact CD1-CD2 4.18Å; L221-F311 HydrophobicContact CD1-CE2 3.51Å; L221-F311 HydrophobicContact CD1-CZ 4.06Å; I226-F311 HydrophobicContact CG2-CD1 4.06Å; I226-F311 HydrophobicContact CG2-CE1 3.23Å; I226-F311 HydrophobicContact CG2-CZ 3.59Å; I227-F311 HydrophobicContact CG2-CE1 3.8Å; I227-F311 HydrophobicContact CG2-CZ 4.32Å; I229-F311 HydrophobicContact CD1-CE2 3.68Å; I229-F311 HydrophobicContact CD1-CZ 3.79Å; I229-F311 HydrophobicContact CG1-CZ 4.23Å; L280-F311 HydrophobicContact CD1-CB 3.92Å; L280-F311 HydrophobicContact CD1-CD1 4.46Å; L280-F311 HydrophobicContact CD1-CG 4.22Å; L280-F311 HydrophobicContact CD2-CB 4.49Å; L280-F311 HydrophobicContact CD2-CD2 4.1Å; L280-F311 HydrophobicContact CD2-CG 4.11Å; T309-F311 PolarHBondContact O-N 3.35Å; F311-V313 PolarHBondContact O-N 3.17Å
312	G	65.6	Low	71.7	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.153	C	C	.	.	S	Bend	trans	72.9	-22.2	167.6	0	0	0	0	0	116.7	S314 K315 L316	G312-S314 PolarHBondContact O-N 3.2Å; G312-S314 VanDerWaalsContact O-N 3.08Å; G312-K315 PolarHBondContact O-N 3.3Å; G312-L316 PolarHBondContact O-N 3.47Å
313	V	61.4	Low	69.7	Low	5 Å²	5	25.2 Å²	25.2	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-54.7	-31.9	178	-171.3	0	0	0	0	111.6	F172 F311 K315 V317 M322	F172-V313 HydrophobicContact CG-CG1 4.39Å; F311-V313 PolarHBondContact O-N 3.17Å; V313-K315 VanDerWaalsContact C-N 3.29Å; V313-K315 PolarHBondContact O-N 2.86Å; V313-V317 HydrophobicContact CG1-CG2 4.25Å; V313-V317 VanDerWaalsContact O-CB 3.31Å; V313-V317 WeakPolarHBondContact O-CB 3.45Å; V313-V317 WeakPolarHBondContact O-CG2 3.36Å; V313-V317 PolarHBondContact O-N 3.39Å; V313-M322 HydrophobicContact CB-CE 4.04Å; V313-M322 HydrophobicContact CG1-CE 3.79Å; V313-M322 HydrophobicContact CG1-SD 4.26Å
314	S	58.5	Low	67.2	Low	10 Å²	10	28 Å²	28	7%	0.07	15%	0.148	C	C	.	.	H	α-helix	trans	-81.5	5.3	178.4	64.7	0	0	0	0	115.7	R288 G312 V317	R288-S314 WeakPolarHBondContact CD-OG 3.42Å; R288-S314 PolarHBondContact NH1-O 3.14Å; R288-S314 PolarHBondContact NH1-OG 2.91Å; G312-S314 PolarHBondContact O-N 3.2Å; G312-S314 VanDerWaalsContact O-N 3.08Å; S314-V317 CarbonylContact C-O 3.58Å
315	K	56.4	Low	64.7	Low	62 Å²	62	30.8 Å²	30.8	27%	0.27	17%	0.165	S	C	.	.	H	α-helix	trans	-101.5	-52.3	164.2	-63.2	-168.4	175.6	-171.1	0	110	E214 G284 G312 V313 V317	E214-K315 WeakPolarHBondContact OE2-CB 3.48Å; G284-K315 PolarHBondContact O-NZ 3.46Å; G312-K315 PolarHBondContact O-N 3.3Å; V313-K315 VanDerWaalsContact C-N 3.29Å; V313-K315 PolarHBondContact O-N 2.86Å; K315-V317 PolarHBondContact O-N 2.98Å
316	L	53.4	Low	62.2	Low	16 Å²	16	33.1 Å²	33.1	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-57.1	-21.1	176.3	-69.2	179.4	0	0	0	114.1	I211 E214 V215 L218 M239 G312	I211-L316 HydrophobicContact CG2-CD2 4.41Å; E214-L316 HydrophobicContact CB-CD2 3.74Å; E214-L316 PolarHBondContact OE2-N 3.43Å; V215-L316 HydrophobicContact CG2-CD2 3.8Å; L218-L316 HydrophobicContact CD1-CD1 3.47Å; L218-L316 VanDerWaalsContact CD1-CD1 3.47Å; L218-L316 HydrophobicContact CD1-CD2 4.01Å; L218-L316 HydrophobicContact CD1-CG 3.61Å; M239-L316 HydrophobicContact CE-CB 4.08Å; M239-L316 HydrophobicContact CE-CD1 4.43Å; M239-L316 HydrophobicContact CE-CD2 4.47Å; M239-L316 HydrophobicContact SD-CB 4.12Å; M239-L316 HydrophobicContact SD-CD1 3.8Å; M239-L316 HydrophobicContact SD-CG 4.48Å; G312-L316 PolarHBondContact O-N 3.47Å
317	V	51.9	Low	59.2	Low	15 Å²	15	39.7 Å²	39.7	9%	0.091	22%	0.219	C	C	.	.	S	Bend	trans	-124.5	123	176.3	-174.7	0	0	0	0	108.5	F197 V313 S314 K315 E319 M322	F197-V317 HydrophobicContact CB-CG1 3.62Å; F197-V317 HydrophobicContact CD1-CG1 3.38Å; F197-V317 HydrophobicContact CD2-CG1 3.46Å; F197-V317 VanDerWaalsContact CD2-CG1 3.46Å; F197-V317 HydrophobicContact CE1-CG1 3.84Å; F197-V317 HydrophobicContact CE2-CG1 3.92Å; F197-V317 HydrophobicContact CG-CG1 3.16Å; F197-V317 HydrophobicContact CZ-CG1 4.08Å; V313-V317 HydrophobicContact CG1-CG2 4.25Å; V313-V317 VanDerWaalsContact O-CB 3.31Å; V313-V317 WeakPolarHBondContact O-CB 3.45Å; V313-V317 WeakPolarHBondContact O-CG2 3.36Å; V313-V317 PolarHBondContact O-N 3.39Å; S314-V317 CarbonylContact C-O 3.58Å; K315-V317 PolarHBondContact O-N 2.98Å; V317-E319 PolarHBondContact O-N 3.09Å; V317-M322 HydrophobicContact CB-CG 3.69Å; V317-M322 HydrophobicContact CB-SD 4.01Å; V317-M322 HydrophobicContact CG1-CG 3.61Å; V317-M322 HydrophobicContact CG1-SD 4Å
318	D	51.3	Low	56.8	Low	88 Å²	88	40.5 Å²	40.5	47%	0.471	23%	0.231	S	C	.	.			trans	-36.6	118.2	-175.1	-169.1	-31.4	0	0	0	113.1	A200 G320 T321 M322	A200-D318 WeakPolarHBondContact CB-OD2 3.48Å; D318-G320 VanDerWaalsContact C-N 3.25Å; D318-G320 PolarHBondContact O-N 3.5Å; D318-G320 VanDerWaalsContact O-N 3.12Å; D318-T321 PolarHBondContact O-N 3.4Å; D318-M322 PolarHBondContact O-N 2.88Å; D318-M322 VanDerWaalsContact O-N 3.13Å
319	E	48.3	Very low	55.3	Low	91 Å²	91	43.9 Å²	43.9	43%	0.425	25%	0.253	S	S	.	.	H	α-helix	trans	-54.8	-41.4	-162.5	-47.8	-155.8	122.3	0	0	112.1	R288 V317 T321 L323	R288-E319 IonicContact CZ-OE1 3.31Å; R288-E319 IonicContact NH1-OE1 3.12Å; R288-E319 PolarHBondContact NH1-OE1 3.19Å; R288-E319 IonicContact NH2-OE1 2.81Å; R288-E319 PolarHBondContact NH2-OE1 2.77Å; R288-E319 IonicContact NH2-OE2 2.7Å; V317-E319 PolarHBondContact O-N 3.09Å; E319-T321 PolarHBondContact O-N 3.45Å; E319-L323 VanDerWaalsContact O-CD1 3.32Å; E319-L323 WeakPolarHBondContact O-CD1 3.35Å; E319-L323 WeakPolarHBondContact O-CG 3.45Å; E319-L323 PolarHBondContact O-N 2.81Å
320	G	40.7	Very low	54.5	Low	30 Å²	30	45 Å²	45	31%	0.309	26%	0.26	S	S	.	.	H	α-helix	trans	-67.3	-32.4	179.5	0	0	0	0	0	113.6	D318 H324	D318-G320 VanDerWaalsContact C-N 3.25Å; D318-G320 PolarHBondContact O-N 3.5Å; D318-G320 VanDerWaalsContact O-N 3.12Å; G320-H324 PolarHBondContact O-CD2 3.17Å; G320-H324 VanDerWaalsContact O-CD2 3.24Å; G320-H324 PolarHBondContact O-N 2.72Å; G320-H324 VanDerWaalsContact O-N 3.15Å
321	T	45.4	Very low	54.3	Low	13 Å²	13	44.9 Å²	44.9	8%	0.08	26%	0.259	C	S	.	.	H	α-helix	trans	-86.2	-29.4	-176.2	-33.3	0	0	0	0	112.5	F197 L199 A200 D318 E319 L323 T325	F197-T321 HydrophobicContact CB-CG2 4.29Å; F197-T321 HydrophobicContact CD1-CG2 4.4Å; L199-T321 HydrophobicContact CB-CG2 4.33Å; A200-T321 WeakPolarHBondContact CB-OG1 3.35Å; D318-T321 PolarHBondContact O-N 3.4Å; E319-T321 PolarHBondContact O-N 3.45Å; T321-L323 VanDerWaalsContact C-N 3.34Å; T321-T325 PolarHBondContact O-OG1 3.45Å
322	M	43.8	Very low	54.6	Low	7 Å²	7	45.4 Å²	45.4	3%	0.034	26%	0.261	C	S	.	.	H	α-helix	trans	-56.8	-50.8	164.3	-80.6	-79.6	-75.9	0	0	110.4	F172 F197 V313 V317 D318 H324 T325 F326	F172-M322 HydrophobicContact CD1-CE 3.86Å; F172-M322 HydrophobicContact CD1-SD 3.94Å; F172-M322 HydrophobicContact CE1-CE 3.34Å; F172-M322 HydrophobicContact CE1-SD 3.84Å; F172-M322 HydrophobicContact CZ-CE 3.9Å; F197-M322 HydrophobicContact CD1-CG 4.43Å; F197-M322 HydrophobicContact CD1-SD 4.44Å; F197-M322 HydrophobicContact CE1-CG 4.12Å; F197-M322 HydrophobicContact CE1-SD 3.61Å; F197-M322 HydrophobicContact CZ-SD 3.83Å; V313-M322 HydrophobicContact CB-CE 4.04Å; V313-M322 HydrophobicContact CG1-CE 3.79Å; V313-M322 HydrophobicContact CG1-SD 4.26Å; V317-M322 HydrophobicContact CB-CG 3.69Å; V317-M322 HydrophobicContact CB-SD 4.01Å; V317-M322 HydrophobicContact CG1-CG 3.61Å; V317-M322 HydrophobicContact CG1-SD 4Å; D318-M322 PolarHBondContact O-N 2.88Å; D318-M322 VanDerWaalsContact O-N 3.13Å; M322-H324 PolarHBondContact O-N 3.31Å; M322-T325 PolarHBondContact O-N 2.91Å; M322-T325 VanDerWaalsContact O-N 3.13Å; M322-F326 WeakPolarHBondContact O-CD2 3.32Å; M322-F326 WeakPolarHBondContact O-CE2 3.32Å
323	L	46.5	Very low	55.5	Low	33 Å²	33	46.6 Å²	46.6	17%	0.173	27%	0.267	C	S	.	.	H	α-helix	trans	-71	-32.6	-171.5	-69.4	163.7	0	0	0	113.9	E319 T321 T325 F326 G342	E319-L323 VanDerWaalsContact O-CD1 3.32Å; E319-L323 WeakPolarHBondContact O-CD1 3.35Å; E319-L323 WeakPolarHBondContact O-CG 3.45Å; E319-L323 PolarHBondContact O-N 2.81Å; T321-L323 VanDerWaalsContact C-N 3.34Å; L323-T325 PolarHBondContact O-N 3.5Å; L323-F326 HydrophobicContact CD2-CD2 4.37Å; L323-F326 HydrophobicContact CD2-CE2 3.87Å; L323-F326 HydrophobicContact CD2-CZ 4.48Å; L323-G342 WeakPolarHBondContact CD1-O 3.17Å
324	H	41.1	Very low	56.7	Low	132 Å²	132	46.5 Å²	46.5	61%	0.611	27%	0.267	S	S	*	.	H	α-helix	trans	-71.1	-12.4	171.4	-71.9	-37.3	0	0	0	115	G320 M322	G320-H324 PolarHBondContact O-CD2 3.17Å; G320-H324 VanDerWaalsContact O-CD2 3.24Å; G320-H324 PolarHBondContact O-N 2.72Å; G320-H324 VanDerWaalsContact O-N 3.15Å; M322-H324 PolarHBondContact O-N 3.31Å
325	T	43.3	Very low	58.3	Low	64 Å²	64	46 Å²	46	39%	0.393	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	13.1	-174.4	-46	0	0	0	0	112.8	T321 M322 L323 C327	T321-T325 PolarHBondContact O-OG1 3.45Å; M322-T325 PolarHBondContact O-N 2.91Å; M322-T325 VanDerWaalsContact O-N 3.13Å; L323-T325 PolarHBondContact O-N 3.5Å; T325-C327 PolarHBondContact O-N 3.21Å
326	F	44.6	Very low	59.8	Low	68 Å²	68	44.2 Å²	44.2	30%	0.298	26%	0.256	S	S	.	.			trans	-72.8	83	-177.9	-88.3	-102.2	0	0	0	113.7	M322 L323 G328	M322-F326 WeakPolarHBondContact O-CD2 3.32Å; M322-F326 WeakPolarHBondContact O-CE2 3.32Å; L323-F326 HydrophobicContact CD2-CD2 4.37Å; L323-F326 HydrophobicContact CD2-CE2 3.87Å; L323-F326 HydrophobicContact CD2-CZ 4.48Å; F326-G328 PolarHBondContact O-N 2.77Å; F326-G328 VanDerWaalsContact O-N 3.16Å
327	C	34.1	Very low	61.1	Low	139 Å²	139	44.2 Å²	44.2	94%	0.939	26%	0.256	S	S	*	.			trans	-76.3	31.1	152.2	-62.6	0	0	0	0	112.1	T325	T325-C327 PolarHBondContact O-N 3.21Å
328	G	49	Very low	62.4	Low	33 Å²	33	45.3 Å²	45.3	34%	0.34	26%	0.262	S	S	.	.	S	Bend	trans	-92.6	159.7	-178.9	0	0	0	0	0	112.8	F326 P330	F326-G328 PolarHBondContact O-N 2.77Å; F326-G328 VanDerWaalsContact O-N 3.16Å; G328-P330 WeakPolarHBondContact O-CD 3.44Å
329	T	63.5	Low	63.7	Low	72 Å²	72	46.3 Å²	46.3	44%	0.442	26%	0.262	S	S	.	.			trans	-62.3	104.5	174.1	-51.5	0	0	0	0	110.2	D331 Y332	T329-D331 HydrophobicContact CG2-CB 4.05Å; T329-D331 WeakPolarHBondContact CG2-OD2 3.42Å; T329-D331 PolarHBondContact O-N 3.19Å; T329-Y332 HydrophobicContact CG2-CD2 4.1Å; T329-Y332 HydrophobicContact CG2-CE2 3.79Å
330	P	75.9	Confident	64.6	Low	36 Å²	36	45 Å²	45	23%	0.234	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-77.1	-8.3	-171	32	-33.1	0	0	0	112.9	G328 Y332 L333 L378 I382	G328-P330 WeakPolarHBondContact O-CD 3.44Å; P330-Y332 PolarHBondContact O-N 3.19Å; P330-L333 HydrophobicContact CB-CD1 4.03Å; P330-L333 WeakPolarHBondContact O-CB 3.44Å; P330-L333 PolarHBondContact O-N 2.78Å; P330-L378 HydrophobicContact CG-CD2 3.77Å; P330-I382 WeakPolarHBondContact O-CD1 3.27Å
331	D	83.3	Confident	65.4	Low	20 Å²	20	46.8 Å²	46.8	11%	0.107	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-56.7	-17.9	179.9	-48.3	-115.3	0	0	0	113.6	T329 L378	T329-D331 HydrophobicContact CG2-CB 4.05Å; T329-D331 WeakPolarHBondContact CG2-OD2 3.42Å; T329-D331 PolarHBondContact O-N 3.19Å; D331-L378 HydrophobicContact CB-CD1 4.48Å; D331-L378 VanDerWaalsContact CG-CD2 3.49Å; D331-L378 WeakPolarHBondContact OD1-CD1 3.43Å; D331-L378 VanDerWaalsContact OD1-CD2 3.28Å; D331-L378 WeakPolarHBondContact OD1-CD2 3.48Å; D331-L378 WeakPolarHBondContact OD2-CD2 3.4Å
332	Y	87.7	Confident	66	Low	18 Å²	18	46.5 Å²	46.5	7%	0.071	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-96.9	-11.5	175.4	-54.7	-75.6	0	0	0	114.9	K291 P292 E293 T329 P330 S354 V357 I361	K291-Y332 HydrophobicContact CB-CD1 4.09Å; K291-Y332 HydrophobicContact CB-CD2 3.67Å; K291-Y332 HydrophobicContact CB-CE1 4.14Å; K291-Y332 HydrophobicContact CB-CE2 3.67Å; K291-Y332 HydrophobicContact CB-CG 3.87Å; K291-Y332 HydrophobicContact CD-CD2 4.49Å; K291-Y332 HydrophobicContact CD-CE2 4.37Å; P292-Y332 VanDerWaalsContact CD-CZ 3.5Å; P292-Y332 WeakPolarHBondContact CD-OH 3.28Å; P292-Y332 HydrophobicContact CG-CE1 4.14Å; E293-Y332 PolarHBondContact OE2-OH 3.27Å; T329-Y332 HydrophobicContact CG2-CD2 4.1Å; T329-Y332 HydrophobicContact CG2-CE2 3.79Å; P330-Y332 PolarHBondContact O-N 3.19Å; Y332-S354 PolarHBondContact O-OG 3.1Å; Y332-V357 HydrophobicContact CD1-CB 4.16Å; Y332-V357 HydrophobicContact CD1-CG1 3.48Å; Y332-V357 VanDerWaalsContact CD1-CG1 3.48Å; Y332-V357 HydrophobicContact CE1-CG1 3.96Å; Y332-V357 HydrophobicContact CG-CG1 4.4Å; Y332-I361 HydrophobicContact CD1-CD1 4.47Å; Y332-I361 HydrophobicContact CE1-CD1 3.58Å
333	L	85.7	Confident	66.3	Low	27 Å²	27	50.5 Å²	50.5	14%	0.141	30%	0.299	C	S	.	.	S	Bend	trans	-78.4	142.8	-171.5	-65.5	176.1	0	0	0	112.1	P330 L338 W353 I382	P330-L333 HydrophobicContact CB-CD1 4.03Å; P330-L333 WeakPolarHBondContact O-CB 3.44Å; P330-L333 PolarHBondContact O-N 2.78Å; L333-L338 HydrophobicContact CB-CD2 4.18Å; L333-L338 HydrophobicContact CB-CG 4.34Å; L333-L338 HydrophobicContact CD1-CD2 3.81Å; L333-W353 PolarHBondContact O-NE1 3.19Å; L333-I382 WeakPolarHBondContact O-CG2 3.24Å
334	A	87.3	Confident	66.5	Low	2 Å²	2	50.2 Å²	50.2	2%	0.017	30%	0.304	C	S	.	.			trans	-70.8	143.9	175.4	0	0	0	0	0	111.4	E336 V337 L338 I350 W353	A334-E336 HydrophobicContact CB-CG 4.43Å; A334-E336 PolarHBondContact O-N 2.86Å; A334-V337 HydrophobicContact CB-CG2 4.22Å; A334-V337 WeakPolarHBondContact O-CB 3.31Å; A334-V337 PolarHBondContact O-N 3.45Å; A334-L338 PolarHBondContact O-N 2.74Å; A334-I350 HydrophobicContact CB-CB 4.01Å; A334-I350 HydrophobicContact CB-CG2 3.93Å; A334-W353 VanDerWaalsContact CA-CD1 3.5Å; A334-W353 HydrophobicContact CB-CB 3.9Å; A334-W353 HydrophobicContact CB-CD2 4.49Å; A334-W353 HydrophobicContact CB-CG 3.88Å
335	P	90.3	Very high	67.2	Low	0 Å²	0	51.2 Å²	51.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-27.5	-172.2	22.7	-33	0	0	0	113.9	K339 W353 I382 V411	P335-K339 WeakPolarHBondContact O-CB 3.1Å; P335-K339 VanDerWaalsContact O-CD 3.28Å; P335-K339 WeakPolarHBondContact O-CD 3.26Å; P335-K339 WeakPolarHBondContact O-CG 3.16Å; P335-K339 PolarHBondContact O-N 2.81Å; P335-W353 HydrophobicContact CG-CE3 4.3Å; P335-W353 HydrophobicContact CG-CH2 3.98Å; P335-W353 HydrophobicContact CG-CZ2 4.37Å; P335-W353 HydrophobicContact CG-CZ3 3.95Å; P335-I382 HydrophobicContact CB-CG2 4.15Å; P335-V411 HydrophobicContact CB-CG1 4.39Å; P335-V411 HydrophobicContact CG-CB 4.47Å; P335-V411 HydrophobicContact CG-CG1 4.13Å
336	E	87.7	Confident	68.3	Low	25 Å²	25	50.1 Å²	50.1	12%	0.117	31%	0.309	C	S	.	.	H	α-helix	trans	-67.5	-32.6	172.8	61.1	-87.4	-152.7	0	0	113.3	A334 T340 Y346 I350 P413 R416	A334-E336 HydrophobicContact CB-CG 4.43Å; A334-E336 PolarHBondContact O-N 2.86Å; E336-T340 PolarHBondContact O-N 3.3Å; E336-T340 PolarHBondContact O-OG1 3.22Å; E336-Y346 HydrophobicContact CG-CD1 4.11Å; E336-Y346 HydrophobicContact CG-CE1 4.47Å; E336-I350 HydrophobicContact CG-CG2 4.13Å; E336-I350 WeakPolarHBondContact OE1-CG2 3.45Å; E336-P413 HydrophobicContact CG-CG 4.46Å; E336-R416 IonicContact OE1-CZ 2.62Å; E336-R416 VanDerWaalsContact OE1-CZ 3.31Å; E336-R416 IonicContact OE1-NH1 3.16Å; E336-R416 PolarHBondContact OE1-NH1 2.81Å; E336-R416 IonicContact OE1-NH2 2.72Å; E336-R416 PolarHBondContact OE1-NH2 3.12Å; E336-R416 VanDerWaalsContact OE1-NH2 3.12Å; E336-R416 IonicContact OE2-CZ 3.49Å; E336-R416 IonicContact OE2-NH1 2.63Å; E336-R416 IonicContact OE2-NH2 2.65Å; E336-R416 PolarHBondContact OE2-NH2 2.9Å
337	V	82.6	Confident	69.6	Low	15 Å²	15	50.9 Å²	50.9	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-69.4	-44.2	177.3	-178	0	0	0	0	110	A334 T340 A341 G342 Y346 I350	A334-V337 HydrophobicContact CB-CG2 4.22Å; A334-V337 WeakPolarHBondContact O-CB 3.31Å; A334-V337 PolarHBondContact O-N 3.45Å; V337-T340 PolarHBondContact O-N 2.89Å; V337-A341 PolarHBondContact O-N 2.68Å; V337-A341 VanDerWaalsContact O-N 3.09Å; V337-G342 PolarHBondContact O-N 3.21Å; V337-G342 VanDerWaalsContact O-N 3.12Å; V337-Y346 HydrophobicContact CB-CE1 4.36Å; V337-Y346 HydrophobicContact CG1-CE2 4.33Å; V337-Y346 HydrophobicContact CG2-CD1 4.02Å; V337-Y346 HydrophobicContact CG2-CD2 4.26Å; V337-Y346 HydrophobicContact CG2-CE1 3.96Å; V337-Y346 HydrophobicContact CG2-CE2 4.18Å; V337-Y346 HydrophobicContact CG2-CG 4.19Å; V337-I350 HydrophobicContact CG2-CB 4.43Å; V337-I350 HydrophobicContact CG2-CD1 4.38Å; V337-I350 HydrophobicContact CG2-CG2 3.86Å
338	L	79.1	Confident	72.1	Confident	39 Å²	39	46.6 Å²	46.6	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-51.4	173.8	-63.3	-178.3	0	0	0	111.7	L333 A334 T340 A341 E379 I382 I383	L333-L338 HydrophobicContact CB-CD2 4.18Å; L333-L338 HydrophobicContact CB-CG 4.34Å; L333-L338 HydrophobicContact CD1-CD2 3.81Å; A334-L338 PolarHBondContact O-N 2.74Å; L338-T340 PolarHBondContact O-N 3.44Å; L338-A341 PolarHBondContact O-N 3.23Å; L338-E379 HydrophobicContact CD1-CG 4.34Å; L338-I382 HydrophobicContact CD1-CB 3.83Å; L338-I382 HydrophobicContact CD1-CD1 3.89Å; L338-I382 HydrophobicContact CD1-CG1 4.49Å; L338-I382 HydrophobicContact CD1-CG2 3.52Å; L338-I383 HydrophobicContact CB-CG1 4.47Å
339	K	77.4	Confident	74.1	Confident	108 Å²	108	45.8 Å²	45.8	47%	0.47	28%	0.279	S	S	.	.	H	α-helix	trans	-57.3	-21.2	-178.1	-76.8	164.2	-172	166.6	0	114.8	P335 I383	P335-K339 WeakPolarHBondContact O-CB 3.1Å; P335-K339 VanDerWaalsContact O-CD 3.28Å; P335-K339 WeakPolarHBondContact O-CD 3.26Å; P335-K339 WeakPolarHBondContact O-CG 3.16Å; P335-K339 PolarHBondContact O-N 2.81Å; K339-I383 HydrophobicContact CG-CD1 4.04Å; K339-I383 HydrophobicContact CG-CG1 4.15Å; K339-I383 PolarHBondContact NZ-O 3.46Å; K339-I383 VanDerWaalsContact NZ-O 3.09Å
340	T	67	Low	75.5	Confident	64 Å²	64	42.7 Å²	42.7	39%	0.393	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	8.5	-178.9	50	0	0	0	0	112.9	E336 V337 L338 G342 C343 Y346	E336-T340 PolarHBondContact O-N 3.3Å; E336-T340 PolarHBondContact O-OG1 3.22Å; V337-T340 PolarHBondContact O-N 2.89Å; L338-T340 PolarHBondContact O-N 3.44Å; T340-G342 PolarHBondContact O-N 3.16Å; T340-G342 VanDerWaalsContact O-N 3.12Å; T340-C343 WeakPolarHBondContact O-CB 3.18Å; T340-C343 PolarHBondContact O-N 3.15Å; T340-Y346 WeakPolarHBondContact OG1-CE1 3.39Å; T340-Y346 PolarHBondContact OG1-OH 2.87Å
341	A	58.4	Low	76.3	Confident	67 Å²	67	41 Å²	41	55%	0.554	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	31.5	-179.4	0	0	0	0	0	114.6	V337 L338 C343	V337-A341 PolarHBondContact O-N 2.68Å; V337-A341 VanDerWaalsContact O-N 3.09Å; L338-A341 PolarHBondContact O-N 3.23Å; A341-C343 VanDerWaalsContact C-N 3.31Å; A341-C343 PolarHBondContact O-N 3.49Å
342	G	56.6	Low	77	Confident	7 Å²	7	40.1 Å²	40.1	7%	0.072	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	-15.6	-173.5	0	0	0	0	0	115.8	L323 V337 T340 G344 Y346	L323-G342 WeakPolarHBondContact CD1-O 3.17Å; V337-G342 PolarHBondContact O-N 3.21Å; V337-G342 VanDerWaalsContact O-N 3.12Å; T340-G342 PolarHBondContact O-N 3.16Å; T340-G342 VanDerWaalsContact O-N 3.12Å; G342-G344 PolarHBondContact O-N 3.26Å; G342-Y346 WeakPolarHBondContact CA-OH 3.43Å; G342-Y346 PolarHBondContact N-OH 3.13Å; G342-Y346 WeakPolarHBondContact O-CE2 3.36Å; G342-Y346 PolarHBondContact O-OH 3.34Å
343	C	51.2	Low	77.4	Confident	92 Å²	92	39.2 Å²	39.2	62%	0.622	24%	0.24	S	C	*	.			trans	-80	19.5	-172.7	-57.7	0	0	0	0	114.7	T340 A341 Y346	T340-C343 WeakPolarHBondContact O-CB 3.18Å; T340-C343 PolarHBondContact O-N 3.15Å; A341-C343 VanDerWaalsContact C-N 3.31Å; A341-C343 PolarHBondContact O-N 3.49Å; C343-Y346 PolarHBondContact N-OH 3.24Å
344	G	50.5	Low	77.9	Confident	26 Å²	26	38.1 Å²	38.1	27%	0.268	24%	0.235	S	C	.	.	S	Bend	trans	-110.6	152.7	-177	0	0	0	0	0	114	G342 Y346	G342-G344 PolarHBondContact O-N 3.26Å; G344-Y346 PolarHBondContact N-OH 3.45Å; G344-Y346 VanDerWaalsContact O-CD2 3.25Å; G344-Y346 WeakPolarHBondContact O-CD2 3.29Å; G344-Y346 WeakPolarHBondContact O-CE2 3.41Å; G344-Y346 PolarHBondContact O-N 2.75Å; G344-Y346 VanDerWaalsContact O-N 3.16Å
345	T	56.4	Low	78.4	Confident	154 Å²	154	38 Å²	38	95%	0.945	23%	0.234	S	C	*	.			trans	-77.8	94.9	170.1	40	0	0	0	0	110.8
346	Y	65.1	Low	78.8	Confident	40 Å²	40	38 Å²	38	16%	0.157	23%	0.234	C	C	.	.			trans	-84.5	141.2	179.9	-48.4	-62.6	0	0	0	113.1	E336 V337 T340 G342 C343 G344 I350	E336-Y346 HydrophobicContact CG-CD1 4.11Å; E336-Y346 HydrophobicContact CG-CE1 4.47Å; V337-Y346 HydrophobicContact CB-CE1 4.36Å; V337-Y346 HydrophobicContact CG1-CE2 4.33Å; V337-Y346 HydrophobicContact CG2-CD1 4.02Å; V337-Y346 HydrophobicContact CG2-CD2 4.26Å; V337-Y346 HydrophobicContact CG2-CE1 3.96Å; V337-Y346 HydrophobicContact CG2-CE2 4.18Å; V337-Y346 HydrophobicContact CG2-CG 4.19Å; T340-Y346 WeakPolarHBondContact OG1-CE1 3.39Å; T340-Y346 PolarHBondContact OG1-OH 2.87Å; G342-Y346 WeakPolarHBondContact CA-OH 3.43Å; G342-Y346 PolarHBondContact N-OH 3.13Å; G342-Y346 WeakPolarHBondContact O-CE2 3.36Å; G342-Y346 PolarHBondContact O-OH 3.34Å; C343-Y346 PolarHBondContact N-OH 3.24Å; G344-Y346 PolarHBondContact N-OH 3.45Å; G344-Y346 VanDerWaalsContact O-CD2 3.25Å; G344-Y346 WeakPolarHBondContact O-CD2 3.29Å; G344-Y346 WeakPolarHBondContact O-CE2 3.41Å; G344-Y346 PolarHBondContact O-N 2.75Å; G344-Y346 VanDerWaalsContact O-N 3.16Å; Y346-I350 HydrophobicContact CD1-CG2 4.47Å; Y346-I350 HydrophobicContact CD2-CD1 4.46Å; Y346-I350 HydrophobicContact CG-CD1 4.39Å; Y346-I350 HydrophobicContact CG-CG2 4.29Å
347	T	73	Confident	79.3	Confident	85 Å²	85	36.9 Å²	36.9	52%	0.521	23%	0.228	S	C	.	.			trans	-80	166.2	165.3	60.3	0	0	0	0	110.6	V349 I350	T347-V349 PolarHBondContact O-N 2.88Å; T347-V349 WeakPolarHBondContact OG1-CG2 3.36Å; T347-I350 PolarHBondContact O-N 3.16Å
348	C	85.9	Confident	80	Confident	48 Å²	48	36.1 Å²	36.1	32%	0.324	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-8.4	-178.9	60.6	0	0	0	0	114.8	H281 I350 D351	H281-C348 PolarHBondContact CE1-O 3.35Å; C348-I350 PolarHBondContact O-N 3.28Å; C348-D351 WeakPolarHBondContact O-CB 3.3Å; C348-D351 PolarHBondContact O-N 3.27Å
349	V	92	Very high	80.9	Confident	17 Å²	17	34.3 Å²	34.3	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-70.3	-7.9	178.9	-47.4	0	0	0	0	113.8	T347 D351 V352 W353 P413 R416	T347-V349 PolarHBondContact O-N 2.88Å; T347-V349 WeakPolarHBondContact OG1-CG2 3.36Å; V349-D351 VanDerWaalsContact C-N 3.29Å; V349-V352 PolarHBondContact O-N 2.75Å; V349-W353 PolarHBondContact O-N 2.8Å; V349-P413 HydrophobicContact CG2-CB 3.61Å; V349-R416 WeakPolarHBondContact O-CD 3.43Å; V349-R416 PolarHBondContact O-NH1 2.91Å
350	I	91.7	Very high	81.9	Confident	7 Å²	7	29.2 Å²	29.2	4%	0.036	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-38.5	168.7	63.5	175.9	0	0	0	111.2	T286 R288 A334 E336 V337 Y346 T347 C348 V352 W353 S354	T286-I350 HydrophobicContact CG2-CD1 3.81Å; T286-I350 HydrophobicContact CG2-CG1 3.68Å; R288-I350 HydrophobicContact CB-CD1 4.28Å; R288-I350 HydrophobicContact CG-CD1 4.11Å; A334-I350 HydrophobicContact CB-CB 4.01Å; A334-I350 HydrophobicContact CB-CG2 3.93Å; E336-I350 HydrophobicContact CG-CG2 4.13Å; E336-I350 WeakPolarHBondContact OE1-CG2 3.45Å; V337-I350 HydrophobicContact CG2-CB 4.43Å; V337-I350 HydrophobicContact CG2-CD1 4.38Å; V337-I350 HydrophobicContact CG2-CG2 3.86Å; Y346-I350 HydrophobicContact CD1-CG2 4.47Å; Y346-I350 HydrophobicContact CD2-CD1 4.46Å; Y346-I350 HydrophobicContact CG-CD1 4.39Å; Y346-I350 HydrophobicContact CG-CG2 4.29Å; T347-I350 PolarHBondContact O-N 3.16Å; C348-I350 PolarHBondContact O-N 3.28Å; I350-V352 PolarHBondContact O-N 2.7Å; I350-W353 WeakPolarHBondContact O-CB 3.34Å; I350-W353 PolarHBondContact O-N 3.43Å; I350-W353 VanDerWaalsContact O-N 3.16Å; I350-S354 PolarHBondContact O-N 3.27Å; I350-S354 PolarHBondContact O-OG 2.86Å
351	D	93.7	Very high	83.3	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-32.5	177.7	-67	-15.6	0	0	0	111	V277 H281 T286 H287 R288 L290 C348 V349 S354 L355	V277-D351 HydrophobicContact CG1-CB 3.99Å; H281-D351 IonicContact CD2-OD2 2.69Å; H281-D351 IonicContact CE1-OD2 2.87Å; H281-D351 IonicContact NE2-OD2 2.7Å; H281-D351 PolarHBondContact NE2-OD2 3.32Å; T286-D351 WeakPolarHBondContact CG2-OD1 3.28Å; T286-D351 WeakPolarHBondContact CG2-OD2 3.36Å; H287-D351 PolarHBondContact N-OD1 2.94Å; H287-D351 PolarHBondContact N-OD2 2.92Å; R288-D351 PolarHBondContact N-OD1 2.77Å; L290-D351 HydrophobicContact CD1-CB 3.65Å; C348-D351 WeakPolarHBondContact O-CB 3.3Å; C348-D351 PolarHBondContact O-N 3.27Å; V349-D351 VanDerWaalsContact C-N 3.29Å; D351-S354 PolarHBondContact O-N 3.26Å; D351-L355 WeakPolarHBondContact O-CB 3.44Å; D351-L355 WeakPolarHBondContact O-CG 3.36Å; D351-L355 PolarHBondContact O-N 3.34Å
352	V	97.3	Very high	85.1	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-69	-35.7	176.9	-177	0	0	0	0	111.7	V349 I350 L355 G356 M408 S417 I419 V422	V349-V352 PolarHBondContact O-N 2.75Å; I350-V352 PolarHBondContact O-N 2.7Å; V352-L355 PolarHBondContact O-N 2.88Å; V352-G356 PolarHBondContact O-N 3.04Å; V352-M408 HydrophobicContact CG1-CB 3.99Å; V352-M408 HydrophobicContact CG1-CG 3.59Å; V352-M408 HydrophobicContact CG1-SD 3.91Å; V352-S417 WeakPolarHBondContact CG1-O 3.1Å; V352-I419 HydrophobicContact CG2-CB 4.33Å; V352-I419 HydrophobicContact CG2-CD1 4.32Å; V352-V422 HydrophobicContact CG1-CG2 3.97Å
353	W	96.9	Very high	87.1	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-49.1	171.9	173.7	-82.3	0	0	0	110.8	L333 A334 P335 V349 I350 L355 G356 V357 F369 I382 L409	L333-W353 PolarHBondContact O-NE1 3.19Å; A334-W353 VanDerWaalsContact CA-CD1 3.5Å; A334-W353 HydrophobicContact CB-CB 3.9Å; A334-W353 HydrophobicContact CB-CD2 4.49Å; A334-W353 HydrophobicContact CB-CG 3.88Å; P335-W353 HydrophobicContact CG-CE3 4.3Å; P335-W353 HydrophobicContact CG-CH2 3.98Å; P335-W353 HydrophobicContact CG-CZ2 4.37Å; P335-W353 HydrophobicContact CG-CZ3 3.95Å; V349-W353 PolarHBondContact O-N 2.8Å; I350-W353 WeakPolarHBondContact O-CB 3.34Å; I350-W353 PolarHBondContact O-N 3.43Å; I350-W353 VanDerWaalsContact O-N 3.16Å; W353-L355 VanDerWaalsContact C-N 3.33Å; W353-L355 PolarHBondContact O-N 2.97Å; W353-G356 CarbonylContact O-C 3.6Å; W353-G356 VanDerWaalsContact O-CA 3.31Å; W353-G356 WeakPolarHBondContact O-CA 3.33Å; W353-G356 PolarHBondContact O-N 3.2Å; W353-V357 PolarHBondContact O-N 3.4Å; W353-F369 HydrophobicContact CH2-CE2 4.18Å; W353-F369 AromaticContact CH2-CZ 3.74Å; W353-F369 HydrophobicContact CH2-CZ 3.74Å; W353-F369 HydrophobicContact CZ2-CD2 4.46Å; W353-F369 AromaticContact CZ2-CE2 3.38Å; W353-F369 HydrophobicContact CZ2-CE2 3.38Å; W353-F369 AromaticContact CZ2-CZ 3.41Å; W353-F369 HydrophobicContact CZ2-CZ 3.41Å; W353-F369 VanDerWaalsContact CZ2-CZ 3.41Å; W353-I382 HydrophobicContact CZ2-CG2 3.94Å; W353-L409 HydrophobicContact CD2-CD2 3.77Å; W353-L409 HydrophobicContact CE3-CB 4.43Å; W353-L409 HydrophobicContact CE3-CD2 4.03Å; W353-L409 HydrophobicContact CG-CD2 4.14Å; W353-L409 HydrophobicContact CZ2-CD2 4.36Å; W353-L409 HydrophobicContact CZ3-CB 4.27Å; W353-L409 HydrophobicContact CZ3-CD2 4.43Å; W353-L409 WeakPolarHBondContact O-CD2 3.34Å
354	S	95.7	Very high	89.2	Confident	4 Å²	4	19.5 Å²	19.5	3%	0.028	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-38	178.9	-55.6	0	0	0	0	112.4	L290 Y332 I350 D351 G356 V357 I358	L290-S354 WeakPolarHBondContact O-CB 3.44Å; Y332-S354 PolarHBondContact O-OG 3.1Å; I350-S354 PolarHBondContact O-N 3.27Å; I350-S354 PolarHBondContact O-OG 2.86Å; D351-S354 PolarHBondContact O-N 3.26Å; S354-G356 VanDerWaalsContact C-N 3.31Å; S354-G356 PolarHBondContact O-N 3.05Å; S354-V357 PolarHBondContact O-N 2.96Å; S354-I358 VanDerWaalsContact O-CG1 3.28Å; S354-I358 WeakPolarHBondContact O-CG1 3.46Å; S354-I358 PolarHBondContact O-N 3.49Å
355	L	98.1	Very high	91.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.4	-40.3	168	-77.8	172.1	0	0	0	112.3	F270 M273 V274 V277 L290 D351 V352 W353 I358 L359 M408 I419	F270-L355 HydrophobicContact CE2-CB 3.84Å; F270-L355 HydrophobicContact CE2-CD2 3.89Å; F270-L355 HydrophobicContact CE2-CG 4.4Å; F270-L355 WeakPolarHBondContact CE2-O 3.37Å; F270-L355 HydrophobicContact CZ-CB 4.04Å; M273-L355 HydrophobicContact CB-CD2 3.91Å; V274-L355 HydrophobicContact CG2-CD1 4.34Å; V277-L355 HydrophobicContact CB-CD1 4.2Å; V277-L355 HydrophobicContact CG1-CD1 4.11Å; V277-L355 HydrophobicContact CG2-CD1 4.2Å; V277-L355 HydrophobicContact CG2-CD2 4.48Å; L290-L355 HydrophobicContact CD1-CD2 4.48Å; L290-L355 HydrophobicContact CD1-CG 4.11Å; D351-L355 WeakPolarHBondContact O-CB 3.44Å; D351-L355 WeakPolarHBondContact O-CG 3.36Å; D351-L355 PolarHBondContact O-N 3.34Å; V352-L355 PolarHBondContact O-N 2.88Å; W353-L355 VanDerWaalsContact C-N 3.33Å; W353-L355 PolarHBondContact O-N 2.97Å; L355-I358 PolarHBondContact O-N 3.35Å; L355-L359 WeakPolarHBondContact O-CB 3.13Å; L355-L359 PolarHBondContact O-N 3.46Å; L355-M408 HydrophobicContact CB-SD 4.18Å; L355-I419 HydrophobicContact CD1-CD1 3.56Å
356	G	98.2	Very high	92.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.9	-41.2	172.3	0	0	0	0	0	113.6	V352 W353 S354 Y360	V352-G356 PolarHBondContact O-N 3.04Å; W353-G356 CarbonylContact O-C 3.6Å; W353-G356 VanDerWaalsContact O-CA 3.31Å; W353-G356 WeakPolarHBondContact O-CA 3.33Å; W353-G356 PolarHBondContact O-N 3.2Å; S354-G356 VanDerWaalsContact C-N 3.31Å; S354-G356 PolarHBondContact O-N 3.05Å; G356-Y360 WeakPolarHBondContact O-CB 3.41Å; G356-Y360 PolarHBondContact O-N 3.42Å; G356-Y360 VanDerWaalsContact O-N 3.1Å
357	V	97.5	Very high	94.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.6	-45.6	175.1	-180	0	0	0	0	111	Y332 W353 S354 L359 Y360 I361 P368 F369 L409	Y332-V357 HydrophobicContact CD1-CB 4.16Å; Y332-V357 HydrophobicContact CD1-CG1 3.48Å; Y332-V357 VanDerWaalsContact CD1-CG1 3.48Å; Y332-V357 HydrophobicContact CE1-CG1 3.96Å; Y332-V357 HydrophobicContact CG-CG1 4.4Å; W353-V357 PolarHBondContact O-N 3.4Å; S354-V357 PolarHBondContact O-N 2.96Å; V357-L359 PolarHBondContact O-N 3.02Å; V357-Y360 PolarHBondContact O-N 3.4Å; V357-I361 HydrophobicContact CG1-CD1 3.84Å; V357-I361 WeakPolarHBondContact O-CG1 3.35Å; V357-I361 PolarHBondContact O-N 3.13Å; V357-P368 HydrophobicContact CB-CG 4.37Å; V357-P368 HydrophobicContact CG1-CG 4Å; V357-P368 HydrophobicContact CG2-CG 4.15Å; V357-F369 HydrophobicContact CG2-CE2 4.2Å; V357-L409 HydrophobicContact CG2-CD2 3.8Å
358	I	97.4	Very high	95.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.7	-47.3	176.4	-67.2	162	0	0	0	110.8	M273 L290 P292 S354 L355 Y360 I361 C362	M273-I358 HydrophobicContact CE-CG2 3.88Å; M273-I358 HydrophobicContact SD-CG2 3.87Å; L290-I358 HydrophobicContact CB-CD1 4.23Å; P292-I358 HydrophobicContact CG-CG1 4.05Å; P292-I358 HydrophobicContact CG-CG2 4.39Å; S354-I358 VanDerWaalsContact O-CG1 3.28Å; S354-I358 WeakPolarHBondContact O-CG1 3.46Å; S354-I358 PolarHBondContact O-N 3.49Å; L355-I358 PolarHBondContact O-N 3.35Å; I358-Y360 PolarHBondContact O-N 2.85Å; I358-I361 PolarHBondContact O-N 3.38Å; I358-C362 PolarHBondContact O-N 3.44Å; I358-C362 PolarHBondContact O-SG 3.05Å
359	L	98.4	Very high	95.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.9	-39.9	-179.7	-179.5	57.3	0	0	0	112.4	F270 L355 V357 C362 L363 L404 I405 M408 W427	F270-L359 HydrophobicContact CB-CD1 4.22Å; F270-L359 HydrophobicContact CD1-CD1 4.49Å; F270-L359 HydrophobicContact CD1-CD2 4.15Å; F270-L359 HydrophobicContact CD2-CB 3.89Å; F270-L359 HydrophobicContact CD2-CD1 4.16Å; F270-L359 HydrophobicContact CD2-CD2 4.44Å; F270-L359 HydrophobicContact CD2-CG 4.37Å; F270-L359 HydrophobicContact CE1-CD2 4.01Å; F270-L359 HydrophobicContact CE2-CB 3.8Å; F270-L359 HydrophobicContact CE2-CD2 4.32Å; F270-L359 HydrophobicContact CG-CD1 4.02Å; F270-L359 HydrophobicContact CG-CD2 4.37Å; F270-L359 HydrophobicContact CZ-CB 4.36Å; F270-L359 HydrophobicContact CZ-CD2 4.12Å; L355-L359 WeakPolarHBondContact O-CB 3.13Å; L355-L359 PolarHBondContact O-N 3.46Å; V357-L359 PolarHBondContact O-N 3.02Å; L359-C362 PolarHBondContact O-N 3.37Å; L359-L363 HydrophobicContact CD1-CD1 3.86Å; L359-L363 HydrophobicContact CD1-CG 4.1Å; L359-L363 HydrophobicContact CG-CD1 4.01Å; L359-L363 WeakPolarHBondContact O-CG 3.02Å; L359-L363 PolarHBondContact O-N 3.33Å; L359-L404 HydrophobicContact CD2-CD2 3.83Å; L359-L404 HydrophobicContact CD2-CG 4.09Å; L359-I405 HydrophobicContact CB-CG1 4.42Å; L359-I405 HydrophobicContact CD2-CD1 4.47Å; L359-I405 HydrophobicContact CD2-CG1 3.85Å; L359-I405 HydrophobicContact CG-CD1 4.16Å; L359-I405 HydrophobicContact CG-CG1 4Å; L359-M408 HydrophobicContact CB-CE 4.3Å; L359-M408 HydrophobicContact CD2-CE 3.68Å; L359-W427 HydrophobicContact CD1-CH2 3.51Å; L359-W427 HydrophobicContact CD1-CZ2 4.46Å; L359-W427 HydrophobicContact CD1-CZ3 3.73Å; L359-W427 HydrophobicContact CD2-CE3 4.48Å; L359-W427 HydrophobicContact CD2-CZ3 4.02Å
360	Y	98	Very high	95.6	Very high	1 Å²	1	8.7 Å²	8.7	0%	0.004	5%	0.052	C	C	.	.	H	α-helix	trans	-57.8	-49.8	173.2	-168.3	-69.8	0	0	0	110.5	G356 V357 I358 C362 L363 V364 Y366 P368 D388 F389 W394 I405	G356-Y360 WeakPolarHBondContact O-CB 3.41Å; G356-Y360 PolarHBondContact O-N 3.42Å; G356-Y360 VanDerWaalsContact O-N 3.1Å; V357-Y360 PolarHBondContact O-N 3.4Å; I358-Y360 PolarHBondContact O-N 2.85Å; Y360-C362 PolarHBondContact O-N 2.58Å; Y360-L363 PolarHBondContact O-N 3.49Å; Y360-V364 HydrophobicContact CD1-CG2 3.86Å; Y360-V364 HydrophobicContact CE1-CG2 3.67Å; Y360-V364 WeakPolarHBondContact O-CG2 3.25Å; Y360-V364 PolarHBondContact O-N 3.31Å; Y360-Y366 VanDerWaalsContact CD1-O 3.28Å; Y360-Y366 WeakPolarHBondContact CD1-O 3.41Å; Y360-Y366 HydrophobicContact CE1-CD2 4.03Å; Y360-Y366 AromaticContact CE1-CE2 3.59Å; Y360-Y366 HydrophobicContact CE1-CE2 3.59Å; Y360-Y366 AromaticContact CE1-CZ 3.93Å; Y360-Y366 AromaticContact CZ-CE2 3.99Å; Y360-Y366 WeakPolarHBondContact OH-CE2 3.15Å; Y360-Y366 PolarHBondContact OH-OH 3.1Å; Y360-P368 HydrophobicContact CD1-CB 4.03Å; Y360-P368 HydrophobicContact CD1-CG 4.31Å; Y360-P368 HydrophobicContact CD2-CB 3.75Å; Y360-P368 HydrophobicContact CD2-CG 4.39Å; Y360-P368 HydrophobicContact CE1-CB 4.15Å; Y360-P368 HydrophobicContact CE2-CB 3.87Å; Y360-P368 HydrophobicContact CG-CB 3.85Å; Y360-P368 HydrophobicContact CG-CG 4.08Å; Y360-D388 WeakPolarHBondContact CE2-O 3.17Å; Y360-D388 PolarHBondContact OH-O 3.07Å; Y360-F389 HydrophobicContact CD2-CE1 4.39Å; Y360-F389 HydrophobicContact CE2-CD1 4.39Å; Y360-F389 HydrophobicContact CE2-CE1 4.15Å; Y360-W394 AromaticContact CD1-CZ2 3.96Å; Y360-W394 HydrophobicContact CD1-CZ2 3.96Å; Y360-W394 HydrophobicContact CD2-CH2 4.03Å; Y360-W394 AromaticContact CD2-CZ2 3.58Å; Y360-W394 HydrophobicContact CD2-CZ2 3.58Å; Y360-W394 AromaticContact CE1-CZ2 3.82Å; Y360-W394 HydrophobicContact CE1-CZ2 3.82Å; Y360-W394 HydrophobicContact CE2-CH2 4.26Å; Y360-W394 AromaticContact CE2-CZ2 3.42Å; Y360-W394 HydrophobicContact CE2-CZ2 3.42Å; Y360-W394 VanDerWaalsContact CE2-CZ2 3.42Å; Y360-W394 HydrophobicContact CG-CH2 4.25Å; Y360-W394 AromaticContact CG-CZ2 3.84Å; Y360-W394 HydrophobicContact CG-CZ2 3.84Å; Y360-W394 AromaticContact CZ-CE2 3.96Å; Y360-W394 AromaticContact CZ-CZ2 3.54Å; Y360-W394 AromaticContact CZ-NE1 3.79Å; Y360-W394 PolarHBondContact OH-NE1 3.38Å; Y360-I405 HydrophobicContact CD2-CD1 4.36Å; Y360-I405 HydrophobicContact CD2-CG2 4.13Å
361	I	96.5	Very high	95.3	Very high	13 Å²	13	15.5 Å²	15.5	7%	0.067	8%	0.081	C	C	.	.	H	α-helix	trans	-62.7	-42.2	179.8	-67	162.4	0	0	0	111.7	I255 Y332 V357 I358 L363 G365 P367	I255-I361 HydrophobicContact CD1-CG2 4.2Å; I255-I361 HydrophobicContact CG2-CG2 4.15Å; Y332-I361 HydrophobicContact CD1-CD1 4.47Å; Y332-I361 HydrophobicContact CE1-CD1 3.58Å; V357-I361 HydrophobicContact CG1-CD1 3.84Å; V357-I361 WeakPolarHBondContact O-CG1 3.35Å; V357-I361 PolarHBondContact O-N 3.13Å; I358-I361 PolarHBondContact O-N 3.38Å; I361-L363 VanDerWaalsContact C-N 3.34Å; I361-L363 PolarHBondContact O-N 3.41Å; I361-G365 WeakPolarHBondContact O-CA 3.45Å; I361-G365 PolarHBondContact O-N 3.09Å; I361-P367 HydrophobicContact CD1-CB 4.08Å; I361-P367 HydrophobicContact CG1-CB 4.11Å
362	C	97.2	Very high	94.9	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-56.3	-45.5	176.2	-73.1	0	0	0	0	112.6	L261 I358 L359 Y360	L261-C362 WeakPolarHBondContact CB-O 3.43Å; L261-C362 HydrophobicContact CD1-CB 4.12Å; L261-C362 PolarHBondContact N-O 3.33Å; I358-C362 PolarHBondContact O-N 3.44Å; I358-C362 PolarHBondContact O-SG 3.05Å; L359-C362 PolarHBondContact O-N 3.37Å; Y360-C362 PolarHBondContact O-N 2.58Å
363	L	97.4	Very high	94.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-77.8	-29	-171.2	-70.1	169.3	0	0	0	114.3	Q260 E263 L359 Y360 I361 W394 I397 A401 I405 W427	Q260-L363 PolarHBondContact NE2-O 2.89Å; E263-L363 HydrophobicContact CB-CD2 4.17Å; E263-L363 HydrophobicContact CG-CD2 3.86Å; L359-L363 HydrophobicContact CD1-CD1 3.86Å; L359-L363 HydrophobicContact CD1-CG 4.1Å; L359-L363 HydrophobicContact CG-CD1 4.01Å; L359-L363 WeakPolarHBondContact O-CG 3.02Å; L359-L363 PolarHBondContact O-N 3.33Å; Y360-L363 PolarHBondContact O-N 3.49Å; I361-L363 VanDerWaalsContact C-N 3.34Å; I361-L363 PolarHBondContact O-N 3.41Å; L363-W394 HydrophobicContact CB-CH2 4.25Å; L363-W394 HydrophobicContact CB-CZ3 4.37Å; L363-W394 HydrophobicContact CD1-CH2 4.3Å; L363-W394 HydrophobicContact CD1-CZ3 4.14Å; L363-I397 HydrophobicContact CB-CD1 4.38Å; L363-I397 HydrophobicContact CD1-CG2 4.21Å; L363-I397 HydrophobicContact CD2-CD1 4.31Å; L363-I397 HydrophobicContact CD2-CG2 4.43Å; L363-A401 HydrophobicContact CD1-CB 4Å; L363-I405 HydrophobicContact CD1-CD1 3.98Å; L363-W427 HydrophobicContact CD2-CZ2 4.36Å
364	V	95.4	Very high	93.6	Very high	12 Å²	12	35.9 Å²	35.9	7%	0.073	17%	0.173	C	C	.	.	H	α-helix	trans	-133.1	-3.4	-175	-64	0	0	0	0	116.3	Y360 Y366 F393 W394 I397	Y360-V364 HydrophobicContact CD1-CG2 3.86Å; Y360-V364 HydrophobicContact CE1-CG2 3.67Å; Y360-V364 WeakPolarHBondContact O-CG2 3.25Å; Y360-V364 PolarHBondContact O-N 3.31Å; V364-Y366 HydrophobicContact CB-CD1 4.09Å; V364-Y366 HydrophobicContact CB-CE1 3.66Å; V364-Y366 HydrophobicContact CG2-CD1 3.76Å; V364-Y366 HydrophobicContact CG2-CE1 3.37Å; V364-Y366 HydrophobicContact CG2-CG 4.46Å; V364-Y366 WeakPolarHBondContact O-CD1 3.45Å; V364-F393 HydrophobicContact CB-CB 4.38Å; V364-F393 HydrophobicContact CG1-CB 4.3Å; V364-W394 HydrophobicContact CB-CZ2 4.3Å; V364-W394 HydrophobicContact CG1-CD2 3.71Å; V364-W394 HydrophobicContact CG1-CE3 4.17Å; V364-W394 HydrophobicContact CG1-CG 4.1Å; V364-W394 HydrophobicContact CG1-CH2 4.2Å; V364-W394 HydrophobicContact CG1-CZ2 3.76Å; V364-W394 HydrophobicContact CG1-CZ3 4.42Å; V364-W394 HydrophobicContact CG2-CH2 4.35Å; V364-W394 HydrophobicContact CG2-CZ2 3.51Å; V364-I397 HydrophobicContact CG1-CG1 4.5Å
365	G	93.2	Very high	93.3	Very high	24 Å²	24	39.9 Å²	39.9	25%	0.247	20%	0.195	C	C	.	.	S	Bend	trans	82.2	7.4	170.4	0	0	0	0	0	116.6	G259 I361	G259-G365 WeakPolarHBondContact O-CA 3.04Å; I361-G365 WeakPolarHBondContact O-CA 3.45Å; I361-G365 PolarHBondContact O-N 3.09Å
366	Y	91.7	Very high	92.9	Very high	58 Å²	58	44 Å²	44	23%	0.227	21%	0.212	C	C	.	.	S	Bend	trans	-143.8	155.8	177.1	68.3	-87.8	0	0	0	110.6	Y360 V364 P390 F393 W394	Y360-Y366 VanDerWaalsContact CD1-O 3.28Å; Y360-Y366 WeakPolarHBondContact CD1-O 3.41Å; Y360-Y366 HydrophobicContact CE1-CD2 4.03Å; Y360-Y366 AromaticContact CE1-CE2 3.59Å; Y360-Y366 HydrophobicContact CE1-CE2 3.59Å; Y360-Y366 AromaticContact CE1-CZ 3.93Å; Y360-Y366 AromaticContact CZ-CE2 3.99Å; Y360-Y366 WeakPolarHBondContact OH-CE2 3.15Å; Y360-Y366 PolarHBondContact OH-OH 3.1Å; V364-Y366 HydrophobicContact CB-CD1 4.09Å; V364-Y366 HydrophobicContact CB-CE1 3.66Å; V364-Y366 HydrophobicContact CG2-CD1 3.76Å; V364-Y366 HydrophobicContact CG2-CE1 3.37Å; V364-Y366 HydrophobicContact CG2-CG 4.46Å; V364-Y366 WeakPolarHBondContact O-CD1 3.45Å; Y366-P390 WeakPolarHBondContact OH-CD 3.41Å; Y366-F393 HydrophobicContact CE1-CB 3.82Å; Y366-F393 HydrophobicContact CE1-CD1 4.39Å; Y366-F393 AromaticContact CE1-CD2 3.68Å; Y366-F393 HydrophobicContact CE1-CD2 3.68Å; Y366-F393 HydrophobicContact CE1-CE2 4.36Å; Y366-F393 AromaticContact CE1-CG 3.71Å; Y366-F393 HydrophobicContact CE1-CG 3.71Å; Y366-F393 AromaticContact CZ-CD2 3.87Å; Y366-W394 PolarHBondContact OH-NE1 3.49Å; Y366-W394 VanDerWaalsContact OH-NE1 3.1Å
367	P	93.2	Very high	92.6	Very high	39 Å²	39	48.2 Å²	48.2	25%	0.253	24%	0.235	S	C	.	.			trans	-78.2	151.1	-177.2	32.1	-36.6	0	0	0	113.3	I361 F369	I361-P367 HydrophobicContact CD1-CB 4.08Å; I361-P367 HydrophobicContact CG1-CB 4.11Å; P367-F369 WeakPolarHBondContact CB-O 3.36Å; P367-F369 WeakPolarHBondContact CG-O 3.35Å; P367-F369 PolarHBondContact O-N 2.89Å
368	P	95	Very high	92.2	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.026	24%	0.238	C	C	.	.	S	Bend	trans	-66	-23.3	177.3	24.9	-32.4	0	0	0	113.8	V357 Y360 Y387 L409	V357-P368 HydrophobicContact CB-CG 4.37Å; V357-P368 HydrophobicContact CG1-CG 4Å; V357-P368 HydrophobicContact CG2-CG 4.15Å; Y360-P368 HydrophobicContact CD1-CB 4.03Å; Y360-P368 HydrophobicContact CD1-CG 4.31Å; Y360-P368 HydrophobicContact CD2-CB 3.75Å; Y360-P368 HydrophobicContact CD2-CG 4.39Å; Y360-P368 HydrophobicContact CE1-CB 4.15Å; Y360-P368 HydrophobicContact CE2-CB 3.87Å; Y360-P368 HydrophobicContact CG-CB 3.85Å; Y360-P368 HydrophobicContact CG-CG 4.08Å; P368-Y387 HydrophobicContact CB-CG 4.41Å; P368-L409 HydrophobicContact CB-CD1 4.24Å; P368-L409 HydrophobicContact CG-CD1 4.23Å
369	F	94.3	Very high	91.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-125.6	141.8	178	-44.4	-66.5	0	0	0	108.2	W353 V357 P367 L378 Q381 I382 Y387	W353-F369 HydrophobicContact CH2-CE2 4.18Å; W353-F369 AromaticContact CH2-CZ 3.74Å; W353-F369 HydrophobicContact CH2-CZ 3.74Å; W353-F369 HydrophobicContact CZ2-CD2 4.46Å; W353-F369 AromaticContact CZ2-CE2 3.38Å; W353-F369 HydrophobicContact CZ2-CE2 3.38Å; W353-F369 AromaticContact CZ2-CZ 3.41Å; W353-F369 HydrophobicContact CZ2-CZ 3.41Å; W353-F369 VanDerWaalsContact CZ2-CZ 3.41Å; V357-F369 HydrophobicContact CG2-CE2 4.2Å; P367-F369 WeakPolarHBondContact CB-O 3.36Å; P367-F369 WeakPolarHBondContact CG-O 3.35Å; P367-F369 PolarHBondContact O-N 2.89Å; F369-L378 HydrophobicContact CB-CD1 3.6Å; F369-Q381 HydrophobicContact CB-CB 4.35Å; F369-Q381 HydrophobicContact CD1-CB 4.04Å; F369-I382 HydrophobicContact CB-CG1 3.94Å; F369-I382 HydrophobicContact CD1-CG1 4.31Å; F369-I382 HydrophobicContact CD2-CG1 3.78Å; F369-I382 HydrophobicContact CE2-CG1 4.39Å; F369-I382 HydrophobicContact CG-CG1 3.73Å; F369-Y387 AromaticContact CE1-CD1 3.78Å; F369-Y387 HydrophobicContact CE1-CD1 3.78Å; F369-Y387 HydrophobicContact CE1-CG 4.28Å; F369-Y387 AromaticContact CZ-CD1 3.75Å; F369-Y387 HydrophobicContact CZ-CD1 3.75Å; F369-Y387 HydrophobicContact CZ-CG 4.4Å
370	T	89.9	Confident	91.5	Very high	18 Å²	18	55.6 Å²	55.6	11%	0.11	27%	0.272	C	S	.	.			trans	-160.3	144.1	-178.9	172	0	0	0	0	114.1	Q372 R373 Q381	T370-Q372 HydrophobicContact CG2-CB 4.48Å; T370-Q372 PolarHBondContact O-N 2.88Å; T370-Q372 PolarHBondContact OG1-N 3.31Å; T370-Q372 PolarHBondContact OG1-OE1 3.01Å; T370-R373 HydrophobicContact CG2-CB 4.46Å; T370-R373 HydrophobicContact CG2-CG 4.03Å; T370-R373 PolarHBondContact O-N 3.31Å; T370-Q381 PolarHBondContact O-NE2 3.02Å; T370-Q381 PolarHBondContact O-OE1 3.27Å
371	K	87	Confident	91.3	Very high	150 Å²	150	55.6 Å²	55.6	65%	0.652	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.3	169.5	-58.9	177.9	-175.2	174.1	0	114.3	R373 L378	K371-R373 VanDerWaalsContact C-N 3.34Å; K371-L378 HydrophobicContact CD-CD2 4.33Å; K371-L378 VanDerWaalsContact CE-CD2 3.5Å; K371-L378 HydrophobicContact CG-CB 3.92Å; K371-L378 HydrophobicContact CG-CD2 3.83Å; K371-L378 HydrophobicContact CG-CG 4.45Å
372	Q	84.5	Confident	91.2	Very high	163 Å²	163	55 Å²	55	76%	0.762	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-10	177.1	-63.9	112.5	29.6	0	0	113.6	T370	T370-Q372 HydrophobicContact CG2-CB 4.48Å; T370-Q372 PolarHBondContact O-N 2.88Å; T370-Q372 PolarHBondContact OG1-N 3.31Å; T370-Q372 PolarHBondContact OG1-OE1 3.01Å
373	R	82.7	Confident	90.9	Very high	68 Å²	68	56.9 Å²	56.9	26%	0.257	28%	0.279	S	S	.	.			trans	-76.7	146.2	173.4	-89.5	173.7	65.8	178.8	0.7	111.6	T370 K371 D375 L386	T370-R373 HydrophobicContact CG2-CB 4.46Å; T370-R373 HydrophobicContact CG2-CG 4.03Å; T370-R373 PolarHBondContact O-N 3.31Å; K371-R373 VanDerWaalsContact C-N 3.34Å; R373-D375 WeakPolarHBondContact CB-OD1 3.32Å; R373-D375 IonicContact CZ-OD1 2.75Å; R373-D375 IonicContact CZ-OD2 2.68Å; R373-D375 IonicContact NE-OD1 3.79Å; R373-D375 PolarHBondContact NE-OD1 3.44Å; R373-D375 IonicContact NE-OD2 2.71Å; R373-D375 IonicContact NH2-OD1 3.6Å; R373-D375 IonicContact NH2-OD2 3.64Å; R373-D375 PolarHBondContact NH2-OD2 2.77Å; R373-L386 PolarHBondContact NH1-O 3.42Å; R373-L386 PolarHBondContact NH2-O 3.06Å
374	Q	83.7	Confident	90.8	Very high	199 Å²	199	62.6 Å²	62.6	93%	0.93	30%	0.303	S	S	*	.	S	Bend	trans	-104.2	-12	-175	-64.3	-178.2	-10.2	0	0	113.3
375	D	89.4	Confident	90.8	Very high	88 Å²	88	62.7 Å²	62.7	47%	0.471	31%	0.307	S	S	.	.	S	Bend	trans	-83.5	-34.4	-175.5	60.1	-47.7	0	0	0	113.1	R373	R373-D375 WeakPolarHBondContact CB-OD1 3.32Å; R373-D375 IonicContact CZ-OD1 2.75Å; R373-D375 IonicContact CZ-OD2 2.68Å; R373-D375 IonicContact NE-OD1 3.79Å; R373-D375 PolarHBondContact NE-OD1 3.44Å; R373-D375 IonicContact NE-OD2 2.71Å; R373-D375 IonicContact NH2-OD1 3.6Å; R373-D375 IonicContact NH2-OD2 3.64Å; R373-D375 PolarHBondContact NH2-OD2 2.77Å
376	F	89.8	Confident	90.9	Very high	85 Å²	85	64.1 Å²	64.1	37%	0.373	31%	0.309	S	S	.	.	S	Bend	trans	-147.9	151.1	175.3	-61.5	-71.3	0	0	0	110.7	T380 Q381 L386	F376-T380 HydrophobicContact CB-CG2 3.82Å; F376-T380 HydrophobicContact CD1-CG2 3.58Å; F376-T380 HydrophobicContact CE1-CG2 4.45Å; F376-T380 HydrophobicContact CG-CG2 3.87Å; F376-Q381 HydrophobicContact CB-CG 3.99Å; F376-Q381 PolarHBondContact O-NE2 2.62Å; F376-L386 HydrophobicContact CD2-CD1 3.5Å; F376-L386 HydrophobicContact CE2-CD1 3.68Å; F376-L386 HydrophobicContact CG-CD1 4Å; F376-L386 HydrophobicContact CZ-CD1 4.29Å
377	D	91.5	Very high	91	Very high	89 Å²	89	63.4 Å²	63.4	48%	0.476	31%	0.306	S	S	.	.			trans	-65.3	165.2	167.5	68.4	86.2	0	0	0	111.8	E379 T380 Q381	D377-E379 PolarHBondContact O-N 3.32Å; D377-E379 WeakPolarHBondContact OD1-CA 3.47Å; D377-E379 WeakPolarHBondContact OD1-CB 3.29Å; D377-E379 PolarHBondContact OD1-N 3.38Å; D377-T380 PolarHBondContact O-N 3.22Å; D377-T380 PolarHBondContact OD1-N 3.16Å; D377-T380 PolarHBondContact OD1-OG1 3.34Å; D377-T380 WeakPolarHBondContact OD2-CB 3.42Å; D377-T380 PolarHBondContact OD2-OG1 2.68Å; D377-Q381 VanDerWaalsContact O-CG 3.3Å; D377-Q381 WeakPolarHBondContact O-CG 3.41Å; D377-Q381 PolarHBondContact O-N 3.16Å; D377-Q381 PolarHBondContact O-NE2 3.49Å
378	L	90.3	Very high	91.1	Very high	12 Å²	12	65.7 Å²	65.7	6%	0.063	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-37.7	-175.5	177.4	63.8	0	0	0	113.4	P330 D331 F369 K371 Q381 I382	P330-L378 HydrophobicContact CG-CD2 3.77Å; D331-L378 HydrophobicContact CB-CD1 4.48Å; D331-L378 VanDerWaalsContact CG-CD2 3.49Å; D331-L378 WeakPolarHBondContact OD1-CD1 3.43Å; D331-L378 VanDerWaalsContact OD1-CD2 3.28Å; D331-L378 WeakPolarHBondContact OD1-CD2 3.48Å; D331-L378 WeakPolarHBondContact OD2-CD2 3.4Å; F369-L378 HydrophobicContact CB-CD1 3.6Å; K371-L378 HydrophobicContact CD-CD2 4.33Å; K371-L378 VanDerWaalsContact CE-CD2 3.5Å; K371-L378 HydrophobicContact CG-CB 3.92Å; K371-L378 HydrophobicContact CG-CD2 3.83Å; K371-L378 HydrophobicContact CG-CG 4.45Å; L378-Q381 PolarHBondContact O-N 2.87Å; L378-I382 HydrophobicContact CD1-CD1 3.92Å; L378-I382 HydrophobicContact CD1-CG1 4.3Å; L378-I382 HydrophobicContact CG-CD1 3.96Å; L378-I382 WeakPolarHBondContact O-CG1 3.31Å; L378-I382 PolarHBondContact O-N 3.26Å; L378-I382 VanDerWaalsContact O-N 3.1Å
379	E	89.4	Confident	91.2	Very high	113 Å²	113	67.7 Å²	67.7	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-67.9	-47.3	-179.4	-167	-169.7	140.8	0	0	109.6	L338 D377 Q381 I382 I383	L338-E379 HydrophobicContact CD1-CG 4.34Å; D377-E379 PolarHBondContact O-N 3.32Å; D377-E379 WeakPolarHBondContact OD1-CA 3.47Å; D377-E379 WeakPolarHBondContact OD1-CB 3.29Å; D377-E379 PolarHBondContact OD1-N 3.38Å; E379-Q381 VanDerWaalsContact C-N 3.31Å; E379-Q381 PolarHBondContact O-N 3.23Å; E379-I382 PolarHBondContact O-N 2.88Å; E379-I383 HydrophobicContact CG-CD1 3.76Å; E379-I383 HydrophobicContact CG-CG1 4.28Å; E379-I383 VanDerWaalsContact O-CB 3.25Å; E379-I383 WeakPolarHBondContact O-CB 3.47Å; E379-I383 WeakPolarHBondContact O-CG1 3.44Å; E379-I383 PolarHBondContact O-N 3.12Å; E379-I383 WeakPolarHBondContact OE1-CD1 3.38Å
380	T	92.4	Very high	91.1	Very high	31 Å²	31	69.2 Å²	69.2	19%	0.19	34%	0.335	C	S	.	.	H	α-helix	trans	-57.9	-40.4	173.4	-69	0	0	0	0	112.4	F376 D377 K384	F376-T380 HydrophobicContact CB-CG2 3.82Å; F376-T380 HydrophobicContact CD1-CG2 3.58Å; F376-T380 HydrophobicContact CE1-CG2 4.45Å; F376-T380 HydrophobicContact CG-CG2 3.87Å; D377-T380 PolarHBondContact O-N 3.22Å; D377-T380 PolarHBondContact OD1-N 3.16Å; D377-T380 PolarHBondContact OD1-OG1 3.34Å; D377-T380 WeakPolarHBondContact OD2-CB 3.42Å; D377-T380 PolarHBondContact OD2-OG1 2.68Å; T380-K384 HydrophobicContact CG2-CD 3.76Å; T380-K384 VanDerWaalsContact CG2-NZ 3.3Å; T380-K384 WeakPolarHBondContact O-CB 3.49Å; T380-K384 PolarHBondContact O-N 2.89Å
381	Q	93.9	Very high	91.2	Very high	0 Å²	0	77.4 Å²	77.4	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-59.2	-49	175.5	-76.7	171.8	56.3	0	0	111.4	F369 T370 F376 D377 L378 E379 G385 L386	F369-Q381 HydrophobicContact CB-CB 4.35Å; F369-Q381 HydrophobicContact CD1-CB 4.04Å; T370-Q381 PolarHBondContact O-NE2 3.02Å; T370-Q381 PolarHBondContact O-OE1 3.27Å; F376-Q381 HydrophobicContact CB-CG 3.99Å; F376-Q381 PolarHBondContact O-NE2 2.62Å; D377-Q381 VanDerWaalsContact O-CG 3.3Å; D377-Q381 WeakPolarHBondContact O-CG 3.41Å; D377-Q381 PolarHBondContact O-N 3.16Å; D377-Q381 PolarHBondContact O-NE2 3.49Å; L378-Q381 PolarHBondContact O-N 2.87Å; E379-Q381 VanDerWaalsContact C-N 3.31Å; E379-Q381 PolarHBondContact O-N 3.23Å; Q381-G385 WeakPolarHBondContact O-CA 3.48Å; Q381-G385 PolarHBondContact O-N 2.72Å; Q381-L386 PolarHBondContact O-N 2.95Å
382	I	92.7	Very high	91.5	Very high	1 Å²	1	75.2 Å²	75.2	1%	0.005	37%	0.368	C	S	.	.	H	α-helix	trans	-68.9	-51.8	-179.3	-63.7	163	0	0	0	110.7	P330 L333 P335 L338 W353 F369 L378 E379 K384 G385	P330-I382 WeakPolarHBondContact O-CD1 3.27Å; L333-I382 WeakPolarHBondContact O-CG2 3.24Å; P335-I382 HydrophobicContact CB-CG2 4.15Å; L338-I382 HydrophobicContact CD1-CB 3.83Å; L338-I382 HydrophobicContact CD1-CD1 3.89Å; L338-I382 HydrophobicContact CD1-CG1 4.49Å; L338-I382 HydrophobicContact CD1-CG2 3.52Å; W353-I382 HydrophobicContact CZ2-CG2 3.94Å; F369-I382 HydrophobicContact CB-CG1 3.94Å; F369-I382 HydrophobicContact CD1-CG1 4.31Å; F369-I382 HydrophobicContact CD2-CG1 3.78Å; F369-I382 HydrophobicContact CE2-CG1 4.39Å; F369-I382 HydrophobicContact CG-CG1 3.73Å; L378-I382 HydrophobicContact CD1-CD1 3.92Å; L378-I382 HydrophobicContact CD1-CG1 4.3Å; L378-I382 HydrophobicContact CG-CD1 3.96Å; L378-I382 WeakPolarHBondContact O-CG1 3.31Å; L378-I382 PolarHBondContact O-N 3.26Å; L378-I382 VanDerWaalsContact O-N 3.1Å; E379-I382 PolarHBondContact O-N 2.88Å; I382-K384 PolarHBondContact O-N 3.47Å; I382-K384 VanDerWaalsContact O-N 3.12Å; I382-G385 PolarHBondContact O-N 3.12Å
383	I	92.5	Very high	91.9	Very high	41 Å²	41	70.9 Å²	70.9	21%	0.21	35%	0.347	C	S	.	.	H	α-helix	trans	-56	-32.6	-176.2	-81.6	-173.8	0	0	0	113.2	L338 K339 E379 V411	L338-I383 HydrophobicContact CB-CG1 4.47Å; K339-I383 HydrophobicContact CG-CD1 4.04Å; K339-I383 HydrophobicContact CG-CG1 4.15Å; K339-I383 PolarHBondContact NZ-O 3.46Å; K339-I383 VanDerWaalsContact NZ-O 3.09Å; E379-I383 HydrophobicContact CG-CD1 3.76Å; E379-I383 HydrophobicContact CG-CG1 4.28Å; E379-I383 VanDerWaalsContact O-CB 3.25Å; E379-I383 WeakPolarHBondContact O-CB 3.47Å; E379-I383 WeakPolarHBondContact O-CG1 3.44Å; E379-I383 PolarHBondContact O-N 3.12Å; E379-I383 WeakPolarHBondContact OE1-CD1 3.38Å; I383-V411 VanDerWaalsContact O-CG1 3.3Å; I383-V411 WeakPolarHBondContact O-CG1 3.37Å
384	K	94.7	Very high	92.5	Very high	119 Å²	119	68.3 Å²	68.3	52%	0.517	34%	0.337	S	S	.	.	H	α-helix	trans	-102.3	-3.5	178.5	-63.1	176	-173.7	165.3	0	113.9	T380 I382 L386	T380-K384 HydrophobicContact CG2-CD 3.76Å; T380-K384 VanDerWaalsContact CG2-NZ 3.3Å; T380-K384 WeakPolarHBondContact O-CB 3.49Å; T380-K384 PolarHBondContact O-N 2.89Å; I382-K384 PolarHBondContact O-N 3.47Å; I382-K384 VanDerWaalsContact O-N 3.12Å; K384-L386 HydrophobicContact CB-CD1 3.87Å; K384-L386 HydrophobicContact CB-CD2 4.15Å; K384-L386 HydrophobicContact CB-CG 3.66Å; K384-L386 HydrophobicContact CD-CD1 3.98Å
385	G	94.8	Very high	92.9	Very high	15 Å²	15	65.3 Å²	65.3	16%	0.155	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	36.9	179.7	0	0	0	0	0	114.5	Q381 I382 Y387 V411	Q381-G385 WeakPolarHBondContact O-CA 3.48Å; Q381-G385 PolarHBondContact O-N 2.72Å; I382-G385 PolarHBondContact O-N 3.12Å; G385-Y387 VanDerWaalsContact C-N 3.34Å; G385-Y387 WeakPolarHBondContact O-CD1 3.31Å; G385-Y387 WeakPolarHBondContact O-CE1 3.36Å; G385-Y387 PolarHBondContact O-N 2.94Å; G385-V411 VanDerWaalsContact CA-CG2 3.48Å
386	L	95.1	Very high	93.1	Very high	54 Å²	54	63.7 Å²	63.7	28%	0.283	33%	0.327	S	S	.	.			trans	-86.3	64.6	-171.3	-58.7	175.1	0	0	0	112.5	R373 F376 Q381 K384	R373-L386 PolarHBondContact NH1-O 3.42Å; R373-L386 PolarHBondContact NH2-O 3.06Å; F376-L386 HydrophobicContact CD2-CD1 3.5Å; F376-L386 HydrophobicContact CE2-CD1 3.68Å; F376-L386 HydrophobicContact CG-CD1 4Å; F376-L386 HydrophobicContact CZ-CD1 4.29Å; Q381-L386 PolarHBondContact O-N 2.95Å; K384-L386 HydrophobicContact CB-CD1 3.87Å; K384-L386 HydrophobicContact CB-CD2 4.15Å; K384-L386 HydrophobicContact CB-CG 3.66Å; K384-L386 HydrophobicContact CD-CD1 3.98Å
387	Y	95.2	Very high	93.4	Very high	43 Å²	43	60.4 Å²	60.4	17%	0.169	31%	0.313	C	S	.	.			trans	-104.9	156.8	169.9	61.1	-82.7	0	0	0	111	P368 F369 G385 F389 I405 K406 L409	P368-Y387 HydrophobicContact CB-CG 4.41Å; F369-Y387 AromaticContact CE1-CD1 3.78Å; F369-Y387 HydrophobicContact CE1-CD1 3.78Å; F369-Y387 HydrophobicContact CE1-CG 4.28Å; F369-Y387 AromaticContact CZ-CD1 3.75Å; F369-Y387 HydrophobicContact CZ-CD1 3.75Å; F369-Y387 HydrophobicContact CZ-CG 4.4Å; G385-Y387 VanDerWaalsContact C-N 3.34Å; G385-Y387 WeakPolarHBondContact O-CD1 3.31Å; G385-Y387 WeakPolarHBondContact O-CE1 3.36Å; G385-Y387 PolarHBondContact O-N 2.94Å; Y387-F389 AromaticContact CD2-CE2 3.83Å; Y387-F389 HydrophobicContact CD2-CE2 3.83Å; Y387-F389 AromaticContact CD2-CZ 3.95Å; Y387-F389 HydrophobicContact CD2-CZ 3.95Å; Y387-F389 AromaticContact CE2-CE2 3.63Å; Y387-F389 HydrophobicContact CE2-CE2 3.63Å; Y387-F389 AromaticContact CE2-CZ 3.69Å; Y387-F389 HydrophobicContact CE2-CZ 3.69Å; Y387-I405 HydrophobicContact CE2-CG2 4.42Å; Y387-K406 HydrophobicContact CE2-CG 4.4Å; Y387-L409 HydrophobicContact CD1-CB 4.18Å; Y387-L409 HydrophobicContact CD1-CD1 4.16Å; Y387-L409 HydrophobicContact CD2-CD1 4.21Å; Y387-L409 HydrophobicContact CE1-CB 3.45Å; Y387-L409 VanDerWaalsContact CE1-CB 3.45Å; Y387-L409 HydrophobicContact CE1-CD1 4.18Å; Y387-L409 HydrophobicContact CE1-CG 4.47Å; Y387-L409 VanDerWaalsContact CE1-O 3.3Å; Y387-L409 WeakPolarHBondContact CE1-O 3.36Å; Y387-L409 HydrophobicContact CE2-CB 4.25Å; Y387-L409 HydrophobicContact CE2-CD1 4.21Å; Y387-L409 HydrophobicContact CG-CD1 4.19Å; Y387-L409 VanDerWaalsContact CZ-CB 3.49Å; Y387-L409 PolarHBondContact OH-O 2.83Å
388	D	94.6	Very high	93.6	Very high	87 Å²	87	57.4 Å²	57.4	47%	0.465	30%	0.299	S	S	.	.			trans	-135	-179.2	178	78.5	-26.9	0	0	0	112.7	Y360 P390	Y360-D388 WeakPolarHBondContact CE2-O 3.17Å; Y360-D388 PolarHBondContact OH-O 3.07Å; D388-P390 WeakPolarHBondContact OD1-CD 3.5Å; D388-P390 WeakPolarHBondContact OD1-CG 3.25Å; D388-P390 WeakPolarHBondContact OD2-CG 3.37Å
389	F	96	Very high	94	Very high	45 Å²	45	61.5 Å²	61.5	20%	0.197	32%	0.318	C	S	.	.			trans	-130.6	72.3	-177.9	-60.5	-90.6	0	0	0	110.4	Y360 Y387 K391 W394 I402 I405 K406	Y360-F389 HydrophobicContact CD2-CE1 4.39Å; Y360-F389 HydrophobicContact CE2-CD1 4.39Å; Y360-F389 HydrophobicContact CE2-CE1 4.15Å; Y387-F389 AromaticContact CD2-CE2 3.83Å; Y387-F389 HydrophobicContact CD2-CE2 3.83Å; Y387-F389 AromaticContact CD2-CZ 3.95Å; Y387-F389 HydrophobicContact CD2-CZ 3.95Å; Y387-F389 AromaticContact CE2-CE2 3.63Å; Y387-F389 HydrophobicContact CE2-CE2 3.63Å; Y387-F389 AromaticContact CE2-CZ 3.69Å; Y387-F389 HydrophobicContact CE2-CZ 3.69Å; F389-K391 PolarHBondContact O-N 3.05Å; F389-W394 HydrophobicContact CB-CD2 4.33Å; F389-W394 HydrophobicContact CB-CG 4.05Å; F389-W394 AromaticContact CD1-CD2 3.65Å; F389-W394 HydrophobicContact CD1-CD2 3.65Å; F389-W394 AromaticContact CD1-CE2 3.65Å; F389-W394 AromaticContact CD1-CE3 3.79Å; F389-W394 HydrophobicContact CD1-CE3 3.79Å; F389-W394 HydrophobicContact CD1-CG 4.28Å; F389-W394 HydrophobicContact CD1-CH2 4.04Å; F389-W394 AromaticContact CD1-CZ2 3.88Å; F389-W394 HydrophobicContact CD1-CZ2 3.88Å; F389-W394 AromaticContact CD1-CZ3 3.97Å; F389-W394 HydrophobicContact CD1-CZ3 3.97Å; F389-W394 HydrophobicContact CE1-CE3 4.4Å; F389-W394 AromaticContact CE1-CH2 4Å; F389-W394 HydrophobicContact CE1-CH2 4Å; F389-W394 HydrophobicContact CE1-CZ2 4.12Å; F389-W394 HydrophobicContact CE1-CZ3 4.11Å; F389-W394 HydrophobicContact CG-CD2 4.48Å; F389-I402 HydrophobicContact CD1-CB 4.44Å; F389-I402 HydrophobicContact CD1-CD1 4.48Å; F389-I402 HydrophobicContact CD1-CG1 3.96Å; F389-I402 HydrophobicContact CD1-CG2 3.93Å; F389-I402 HydrophobicContact CD2-CG2 4.31Å; F389-I402 HydrophobicContact CE1-CB 4.28Å; F389-I402 HydrophobicContact CE1-CG1 4.15Å; F389-I402 HydrophobicContact CE1-CG2 3.83Å; F389-I402 HydrophobicContact CE2-CG2 4.23Å; F389-I402 HydrophobicContact CG-CG2 4.17Å; F389-I402 HydrophobicContact CZ-CG2 3.98Å; F389-I405 HydrophobicContact CE1-CB 4.44Å; F389-I405 HydrophobicContact CE1-CG2 4.09Å; F389-I405 HydrophobicContact CZ-CB 4.38Å; F389-I405 HydrophobicContact CZ-CG2 3.86Å; F389-K406 HydrophobicContact CE2-CD 4.3Å; F389-K406 HydrophobicContact CE2-CG 3.95Å; F389-K406 HydrophobicContact CZ-CG 3.98Å
390	P	93.7	Very high	94.4	Very high	33 Å²	33	60.5 Å²	60.5	21%	0.214	31%	0.313	C	S	.	.			trans	-61.5	124.9	-176.1	-21	31.3	0	0	0	111.9	Y366 D388 T392 F393 W394	Y366-P390 WeakPolarHBondContact OH-CD 3.41Å; D388-P390 WeakPolarHBondContact OD1-CD 3.5Å; D388-P390 WeakPolarHBondContact OD1-CG 3.25Å; D388-P390 WeakPolarHBondContact OD2-CG 3.37Å; P390-T392 PolarHBondContact O-N 2.7Å; P390-F393 HydrophobicContact CB-CD2 4.06Å; P390-F393 HydrophobicContact CG-CD2 4.4Å; P390-F393 PolarHBondContact O-N 2.95Å; P390-W394 PolarHBondContact O-N 2.94Å
391	K	92.4	Very high	94.6	Very high	189 Å²	189	59 Å²	59	82%	0.822	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-17.9	-179.1	-65.9	-174.2	178.8	-177.6	0	114	F389 F393 H395	F389-K391 PolarHBondContact O-N 3.05Å; K391-F393 VanDerWaalsContact C-N 3.28Å; K391-F393 PolarHBondContact O-N 3.49Å; K391-H395 WeakPolarHBondContact O-CB 3.39Å
392	T	92.9	Very high	94.8	Very high	104 Å²	104	59.9 Å²	59.9	64%	0.638	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-25.1	174.4	46.3	0	0	0	0	114.1	P390	P390-T392 PolarHBondContact O-N 2.7Å
393	F	92	Very high	95.1	Very high	73 Å²	73	62.5 Å²	62.5	32%	0.32	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-40.7	-178.9	-53.1	-65.3	0	0	0	111.5	V364 Y366 P390 K391 H395 I536	V364-F393 HydrophobicContact CB-CB 4.38Å; V364-F393 HydrophobicContact CG1-CB 4.3Å; Y366-F393 HydrophobicContact CE1-CB 3.82Å; Y366-F393 HydrophobicContact CE1-CD1 4.39Å; Y366-F393 AromaticContact CE1-CD2 3.68Å; Y366-F393 HydrophobicContact CE1-CD2 3.68Å; Y366-F393 HydrophobicContact CE1-CE2 4.36Å; Y366-F393 AromaticContact CE1-CG 3.71Å; Y366-F393 HydrophobicContact CE1-CG 3.71Å; Y366-F393 AromaticContact CZ-CD2 3.87Å; P390-F393 HydrophobicContact CB-CD2 4.06Å; P390-F393 HydrophobicContact CG-CD2 4.4Å; P390-F393 PolarHBondContact O-N 2.95Å; K391-F393 VanDerWaalsContact C-N 3.28Å; K391-F393 PolarHBondContact O-N 3.49Å; F393-H395 PolarHBondContact O-N 2.91Å; F393-I536 HydrophobicContact CE1-CG2 3.91Å
394	W	95.4	Very high	95.4	Very high	14 Å²	14	60.5 Å²	60.5	5%	0.053	31%	0.312	C	S	.	.	S	Bend	trans	-80	8.8	-177.2	-68.9	87	0	0	0	114.5	Y360 L363 V364 Y366 F389 P390 G396 I397 I402 I405	Y360-W394 AromaticContact CD1-CZ2 3.96Å; Y360-W394 HydrophobicContact CD1-CZ2 3.96Å; Y360-W394 HydrophobicContact CD2-CH2 4.03Å; Y360-W394 AromaticContact CD2-CZ2 3.58Å; Y360-W394 HydrophobicContact CD2-CZ2 3.58Å; Y360-W394 AromaticContact CE1-CZ2 3.82Å; Y360-W394 HydrophobicContact CE1-CZ2 3.82Å; Y360-W394 HydrophobicContact CE2-CH2 4.26Å; Y360-W394 AromaticContact CE2-CZ2 3.42Å; Y360-W394 HydrophobicContact CE2-CZ2 3.42Å; Y360-W394 VanDerWaalsContact CE2-CZ2 3.42Å; Y360-W394 HydrophobicContact CG-CH2 4.25Å; Y360-W394 AromaticContact CG-CZ2 3.84Å; Y360-W394 HydrophobicContact CG-CZ2 3.84Å; Y360-W394 AromaticContact CZ-CE2 3.96Å; Y360-W394 AromaticContact CZ-CZ2 3.54Å; Y360-W394 AromaticContact CZ-NE1 3.79Å; Y360-W394 PolarHBondContact OH-NE1 3.38Å; L363-W394 HydrophobicContact CB-CH2 4.25Å; L363-W394 HydrophobicContact CB-CZ3 4.37Å; L363-W394 HydrophobicContact CD1-CH2 4.3Å; L363-W394 HydrophobicContact CD1-CZ3 4.14Å; V364-W394 HydrophobicContact CB-CZ2 4.3Å; V364-W394 HydrophobicContact CG1-CD2 3.71Å; V364-W394 HydrophobicContact CG1-CE3 4.17Å; V364-W394 HydrophobicContact CG1-CG 4.1Å; V364-W394 HydrophobicContact CG1-CH2 4.2Å; V364-W394 HydrophobicContact CG1-CZ2 3.76Å; V364-W394 HydrophobicContact CG1-CZ3 4.42Å; V364-W394 HydrophobicContact CG2-CH2 4.35Å; V364-W394 HydrophobicContact CG2-CZ2 3.51Å; Y366-W394 PolarHBondContact OH-NE1 3.49Å; Y366-W394 VanDerWaalsContact OH-NE1 3.1Å; F389-W394 HydrophobicContact CB-CD2 4.33Å; F389-W394 HydrophobicContact CB-CG 4.05Å; F389-W394 AromaticContact CD1-CD2 3.65Å; F389-W394 HydrophobicContact CD1-CD2 3.65Å; F389-W394 AromaticContact CD1-CE2 3.65Å; F389-W394 AromaticContact CD1-CE3 3.79Å; F389-W394 HydrophobicContact CD1-CE3 3.79Å; F389-W394 HydrophobicContact CD1-CG 4.28Å; F389-W394 HydrophobicContact CD1-CH2 4.04Å; F389-W394 AromaticContact CD1-CZ2 3.88Å; F389-W394 HydrophobicContact CD1-CZ2 3.88Å; F389-W394 AromaticContact CD1-CZ3 3.97Å; F389-W394 HydrophobicContact CD1-CZ3 3.97Å; F389-W394 HydrophobicContact CE1-CE3 4.4Å; F389-W394 AromaticContact CE1-CH2 4Å; F389-W394 HydrophobicContact CE1-CH2 4Å; F389-W394 HydrophobicContact CE1-CZ2 4.12Å; F389-W394 HydrophobicContact CE1-CZ3 4.11Å; F389-W394 HydrophobicContact CG-CD2 4.48Å; P390-W394 PolarHBondContact O-N 2.94Å; W394-G396 PolarHBondContact O-N 3.25Å; W394-I397 HydrophobicContact CE3-CB 3.94Å; W394-I397 HydrophobicContact CE3-CG1 4.06Å; W394-I397 HydrophobicContact CE3-CG2 3.83Å; W394-I397 HydrophobicContact CZ3-CB 4.41Å; W394-I397 HydrophobicContact CZ3-CG2 3.81Å; W394-I397 PolarHBondContact O-N 2.73Å; W394-I402 HydrophobicContact CE3-CD1 3.97Å; W394-I402 HydrophobicContact CE3-CG1 3.65Å; W394-I402 HydrophobicContact CZ3-CG1 3.85Å; W394-I405 HydrophobicContact CH2-CD1 3.54Å; W394-I405 HydrophobicContact CZ3-CD1 4.05Å
395	H	92.3	Very high	95.5	Very high	135 Å²	135	54.9 Å²	54.9	63%	0.625	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	113.1	176.8	177.3	-76.7	0	0	0	111.7	K391 F393 R539	K391-H395 WeakPolarHBondContact O-CB 3.39Å; F393-H395 PolarHBondContact O-N 2.91Å; H395-R539 PolarHBondContact O-NH1 2.96Å
396	G	93.1	Very high	95.7	Very high	54 Å²	54	58.5 Å²	58.5	56%	0.557	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	38.5	-175.8	0	0	0	0	0	112.4	W394 R539	W394-G396 PolarHBondContact O-N 3.25Å; G396-R539 PolarHBondContact O-NH1 2.73Å
397	I	96.2	Very high	95.8	Very high	16 Å²	16	60 Å²	60	8%	0.082	30%	0.301	C	S	.	.	S	Bend	trans	-108.8	142.4	154.1	-57	-61.9	0	0	0	106.5	E263 L363 V364 W394 A401	E263-I397 VanDerWaalsContact OE2-CA 3.31Å; E263-I397 WeakPolarHBondContact OE2-CA 3.48Å; L363-I397 HydrophobicContact CB-CD1 4.38Å; L363-I397 HydrophobicContact CD1-CG2 4.21Å; L363-I397 HydrophobicContact CD2-CD1 4.31Å; L363-I397 HydrophobicContact CD2-CG2 4.43Å; V364-I397 HydrophobicContact CG1-CG1 4.5Å; W394-I397 HydrophobicContact CE3-CB 3.94Å; W394-I397 HydrophobicContact CE3-CG1 4.06Å; W394-I397 HydrophobicContact CE3-CG2 3.83Å; W394-I397 HydrophobicContact CZ3-CB 4.41Å; W394-I397 HydrophobicContact CZ3-CG2 3.81Å; W394-I397 PolarHBondContact O-N 2.73Å; I397-A401 HydrophobicContact CG2-CB 3.89Å
398	S	96.9	Very high	96	Very high	27 Å²	27	58 Å²	58	19%	0.189	29%	0.293	C	S	.	.			trans	-64.3	154.1	-177.3	69.7	0	0	0	0	113.4	E263 E400 A401 I402 W427	E263-S398 WeakPolarHBondContact OE1-CB 3.41Å; E263-S398 PolarHBondContact OE1-OG 2.86Å; E263-S398 PolarHBondContact OE2-N 2.91Å; S398-E400 WeakPolarHBondContact CB-OE2 3.28Å; S398-E400 PolarHBondContact O-N 2.9Å; S398-A401 PolarHBondContact O-N 3.15Å; S398-A401 WeakPolarHBondContact OG-CB 3.14Å; S398-A401 PolarHBondContact OG-N 3.11Å; S398-I402 WeakPolarHBondContact O-CG1 3.41Å; S398-I402 PolarHBondContact O-N 2.69Å; S398-W427 PolarHBondContact OG-NE1 3.46Å
399	Q	97.1	Very high	96.1	Very high	98 Å²	98	54 Å²	54	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-71.6	-27.2	176.1	-172.7	53.4	81.3	0	0	110.7	I402 N403	Q399-I402 PolarHBondContact O-N 3.19Å; Q399-N403 PolarHBondContact NE2-OD1 3.46Å; Q399-N403 VanDerWaalsContact O-CB 3.27Å; Q399-N403 WeakPolarHBondContact O-CB 3.17Å; Q399-N403 PolarHBondContact O-N 3.42Å; Q399-N403 PolarHBondContact O-ND2 2.99Å; Q399-N403 PolarHBondContact O-OD1 3.28Å
400	E	97.7	Very high	96.2	Very high	92 Å²	92	53.4 Å²	53.4	43%	0.43	27%	0.272	S	S	.	.	H	α-helix	trans	-60.1	-51.4	172.8	-66.5	65.3	-149.7	0	0	110.7	S398 I402 N403 L404 W427	S398-E400 WeakPolarHBondContact CB-OE2 3.28Å; S398-E400 PolarHBondContact O-N 2.9Å; E400-I402 PolarHBondContact O-N 3.01Å; E400-N403 PolarHBondContact O-N 3.14Å; E400-N403 VanDerWaalsContact O-N 3.16Å; E400-L404 PolarHBondContact O-N 3.39Å; E400-W427 HydrophobicContact CB-CB 3.97Å; E400-W427 HydrophobicContact CB-CG 4.35Å
401	A	98	Very high	96.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-46.5	175	0	0	0	0	0	112.3	L363 I397 S398 N403 L404 I405 W427	L363-A401 HydrophobicContact CD1-CB 4Å; I397-A401 HydrophobicContact CG2-CB 3.89Å; S398-A401 PolarHBondContact O-N 3.15Å; S398-A401 WeakPolarHBondContact OG-CB 3.14Å; S398-A401 PolarHBondContact OG-N 3.11Å; A401-N403 VanDerWaalsContact C-N 3.28Å; A401-N403 PolarHBondContact O-N 3.05Å; A401-L404 PolarHBondContact O-N 2.95Å; A401-I405 WeakPolarHBondContact O-CG1 3.18Å; A401-I405 PolarHBondContact O-N 3.37Å; A401-W427 HydrophobicContact CB-CD2 4.27Å; A401-W427 HydrophobicContact CB-CG 4.23Å; A401-W427 HydrophobicContact CB-CZ2 4.38Å
402	I	98.1	Very high	96.3	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.087	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-37	177.6	-68.8	169.3	0	0	0	111.1	F389 W394 S398 Q399 E400 K406	F389-I402 HydrophobicContact CD1-CB 4.44Å; F389-I402 HydrophobicContact CD1-CD1 4.48Å; F389-I402 HydrophobicContact CD1-CG1 3.96Å; F389-I402 HydrophobicContact CD1-CG2 3.93Å; F389-I402 HydrophobicContact CD2-CG2 4.31Å; F389-I402 HydrophobicContact CE1-CB 4.28Å; F389-I402 HydrophobicContact CE1-CG1 4.15Å; F389-I402 HydrophobicContact CE1-CG2 3.83Å; F389-I402 HydrophobicContact CE2-CG2 4.23Å; F389-I402 HydrophobicContact CG-CG2 4.17Å; F389-I402 HydrophobicContact CZ-CG2 3.98Å; W394-I402 HydrophobicContact CE3-CD1 3.97Å; W394-I402 HydrophobicContact CE3-CG1 3.65Å; W394-I402 HydrophobicContact CZ3-CG1 3.85Å; S398-I402 WeakPolarHBondContact O-CG1 3.41Å; S398-I402 PolarHBondContact O-N 2.69Å; Q399-I402 PolarHBondContact O-N 3.19Å; E400-I402 PolarHBondContact O-N 3.01Å; I402-K406 HydrophobicContact CG2-CD 4.28Å; I402-K406 VanDerWaalsContact O-CG 3.28Å; I402-K406 WeakPolarHBondContact O-CG 3.39Å; I402-K406 PolarHBondContact O-N 3.07Å; I402-K406 VanDerWaalsContact O-N 3.14Å
403	N	98.1	Very high	96.2	Very high	56 Å²	56	44.5 Å²	44.5	30%	0.299	23%	0.231	S	C	.	.	H	α-helix	trans	-72.5	-37.6	178.5	-71.9	-16.3	0	0	0	112.3	Q399 E400 A401 K406 R407	Q399-N403 PolarHBondContact NE2-OD1 3.46Å; Q399-N403 VanDerWaalsContact O-CB 3.27Å; Q399-N403 WeakPolarHBondContact O-CB 3.17Å; Q399-N403 PolarHBondContact O-N 3.42Å; Q399-N403 PolarHBondContact O-ND2 2.99Å; Q399-N403 PolarHBondContact O-OD1 3.28Å; E400-N403 PolarHBondContact O-N 3.14Å; E400-N403 VanDerWaalsContact O-N 3.16Å; A401-N403 VanDerWaalsContact C-N 3.28Å; A401-N403 PolarHBondContact O-N 3.05Å; N403-K406 PolarHBondContact O-N 3.34Å; N403-R407 PolarHBondContact O-N 3.1Å; N403-R407 VanDerWaalsContact O-N 3.08Å
404	L	98.5	Very high	96.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.7	-46.5	172.9	168.7	55.5	0	0	0	111.3	F270 L359 E400 A401 K406 R407 M408 V422 D425 W427	F270-L404 HydrophobicContact CE1-CD2 4.08Å; L359-L404 HydrophobicContact CD2-CD2 3.83Å; L359-L404 HydrophobicContact CD2-CG 4.09Å; E400-L404 PolarHBondContact O-N 3.39Å; A401-L404 PolarHBondContact O-N 2.95Å; L404-K406 VanDerWaalsContact C-N 3.29Å; L404-K406 PolarHBondContact O-N 3.45Å; L404-R407 WeakPolarHBondContact O-CB 3.12Å; L404-R407 PolarHBondContact O-N 2.89Å; L404-M408 HydrophobicContact CD1-CE 3.92Å; L404-M408 HydrophobicContact CD1-CG 4.11Å; L404-M408 HydrophobicContact CD1-SD 4.18Å; L404-M408 HydrophobicContact CG-CE 3.89Å; L404-M408 PolarHBondContact O-N 2.9Å; L404-M408 VanDerWaalsContact O-N 3.15Å; L404-V422 HydrophobicContact CD1-CB 4.43Å; L404-V422 HydrophobicContact CD1-CG1 3.99Å; L404-V422 HydrophobicContact CD1-CG2 4.15Å; L404-D425 WeakPolarHBondContact CB-OD2 3.35Å; L404-D425 HydrophobicContact CD1-CB 4.06Å; L404-D425 VanDerWaalsContact CD1-OD2 3.29Å; L404-D425 WeakPolarHBondContact CD1-OD2 3.43Å; L404-D425 HydrophobicContact CD2-CB 4.45Å; L404-W427 HydrophobicContact CD2-CB 4.19Å; L404-W427 HydrophobicContact CD2-CD2 4.22Å; L404-W427 HydrophobicContact CD2-CE3 3.46Å; L404-W427 VanDerWaalsContact CD2-CE3 3.46Å; L404-W427 HydrophobicContact CD2-CZ3 4.18Å
405	I	98.5	Very high	96.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.4	-45.5	174.5	-72.1	173.6	0	0	0	110.8	L359 Y360 L363 Y387 F389 W394 A401 R407 M408 L409	L359-I405 HydrophobicContact CB-CG1 4.42Å; L359-I405 HydrophobicContact CD2-CD1 4.47Å; L359-I405 HydrophobicContact CD2-CG1 3.85Å; L359-I405 HydrophobicContact CG-CD1 4.16Å; L359-I405 HydrophobicContact CG-CG1 4Å; Y360-I405 HydrophobicContact CD2-CD1 4.36Å; Y360-I405 HydrophobicContact CD2-CG2 4.13Å; L363-I405 HydrophobicContact CD1-CD1 3.98Å; Y387-I405 HydrophobicContact CE2-CG2 4.42Å; F389-I405 HydrophobicContact CE1-CB 4.44Å; F389-I405 HydrophobicContact CE1-CG2 4.09Å; F389-I405 HydrophobicContact CZ-CB 4.38Å; F389-I405 HydrophobicContact CZ-CG2 3.86Å; W394-I405 HydrophobicContact CH2-CD1 3.54Å; W394-I405 HydrophobicContact CZ3-CD1 4.05Å; A401-I405 WeakPolarHBondContact O-CG1 3.18Å; A401-I405 PolarHBondContact O-N 3.37Å; I405-R407 VanDerWaalsContact C-N 3.26Å; I405-R407 PolarHBondContact O-N 3.35Å; I405-M408 PolarHBondContact O-N 3.06Å; I405-M408 VanDerWaalsContact O-N 3.11Å; I405-L409 HydrophobicContact CG2-CD1 3.72Å; I405-L409 HydrophobicContact CG2-CG 4.19Å; I405-L409 PolarHBondContact O-N 3.46Å
406	K	98.2	Very high	96.4	Very high	91 Å²	91	46.6 Å²	46.6	40%	0.396	25%	0.25	S	S	.	.	H	α-helix	trans	-62.9	-28.5	177.3	-72.5	169.2	-176.5	175.7	0	114	Y387 F389 I402 N403 L404 V410	Y387-K406 HydrophobicContact CE2-CG 4.4Å; F389-K406 HydrophobicContact CE2-CD 4.3Å; F389-K406 HydrophobicContact CE2-CG 3.95Å; F389-K406 HydrophobicContact CZ-CG 3.98Å; I402-K406 HydrophobicContact CG2-CD 4.28Å; I402-K406 VanDerWaalsContact O-CG 3.28Å; I402-K406 WeakPolarHBondContact O-CG 3.39Å; I402-K406 PolarHBondContact O-N 3.07Å; I402-K406 VanDerWaalsContact O-N 3.14Å; N403-K406 PolarHBondContact O-N 3.34Å; L404-K406 VanDerWaalsContact C-N 3.29Å; L404-K406 PolarHBondContact O-N 3.45Å; K406-V410 WeakPolarHBondContact O-CG2 3.42Å
407	R	97.8	Very high	96.5	Very high	87 Å²	87	45 Å²	45	33%	0.328	23%	0.231	S	C	.	.	H	α-helix	trans	-75	-24.6	174.8	-86.9	-174	-74.2	-87.4	4.5	113.6	N403 L404 I405 V410 S417 D425	N403-R407 PolarHBondContact O-N 3.1Å; N403-R407 VanDerWaalsContact O-N 3.08Å; L404-R407 WeakPolarHBondContact O-CB 3.12Å; L404-R407 PolarHBondContact O-N 2.89Å; I405-R407 VanDerWaalsContact C-N 3.26Å; I405-R407 PolarHBondContact O-N 3.35Å; R407-V410 WeakPolarHBondContact O-CG2 3.31Å; R407-S417 WeakPolarHBondContact CB-OG 3.17Å; R407-S417 PolarHBondContact O-N 3.48Å; R407-S417 VanDerWaalsContact O-N 3.07Å; R407-S417 PolarHBondContact O-OG 2.93Å; R407-D425 IonicContact CZ-OD2 3.63Å; R407-D425 IonicContact NE-OD2 2.73Å; R407-D425 PolarHBondContact NE-OD2 3.23Å; R407-D425 IonicContact NH2-OD1 3.51Å; R407-D425 PolarHBondContact NH2-OD1 3.46Å; R407-D425 IonicContact NH2-OD2 2.87Å; R407-D425 PolarHBondContact NH2-OD2 3.06Å
408	M	98.2	Very high	96.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-94.2	-41.8	178.2	-65.4	-163.5	-74.8	0	0	112.9	F270 V352 L355 L359 L404 I405 V410 R416 V422	F270-M408 HydrophobicContact CE1-CE 4.02Å; F270-M408 HydrophobicContact CE1-SD 4.45Å; F270-M408 HydrophobicContact CE2-CE 4.17Å; F270-M408 HydrophobicContact CZ-CE 3.41Å; F270-M408 VanDerWaalsContact CZ-CE 3.41Å; F270-M408 HydrophobicContact CZ-SD 3.72Å; V352-M408 HydrophobicContact CG1-CB 3.99Å; V352-M408 HydrophobicContact CG1-CG 3.59Å; V352-M408 HydrophobicContact CG1-SD 3.91Å; L355-M408 HydrophobicContact CB-SD 4.18Å; L359-M408 HydrophobicContact CB-CE 4.3Å; L359-M408 HydrophobicContact CD2-CE 3.68Å; L404-M408 HydrophobicContact CD1-CE 3.92Å; L404-M408 HydrophobicContact CD1-CG 4.11Å; L404-M408 HydrophobicContact CD1-SD 4.18Å; L404-M408 HydrophobicContact CG-CE 3.89Å; L404-M408 PolarHBondContact O-N 2.9Å; L404-M408 VanDerWaalsContact O-N 3.15Å; I405-M408 PolarHBondContact O-N 3.06Å; I405-M408 VanDerWaalsContact O-N 3.11Å; M408-V410 PolarHBondContact O-N 3.18Å; M408-R416 WeakPolarHBondContact O-CD 3.33Å; M408-R416 VanDerWaalsContact O-CG 3.25Å; M408-R416 WeakPolarHBondContact O-CG 3.35Å; M408-R416 PolarHBondContact O-NE 3.15Å; M408-V422 HydrophobicContact CG-CG2 3.85Å; M408-V422 HydrophobicContact SD-CG1 4.28Å; M408-V422 HydrophobicContact SD-CG2 3.84Å
409	L	97.9	Very high	96.4	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	23%	0.23	C	C	.	.	S	Bend	trans	-84.8	57.9	178.1	-61.4	-175.2	0	0	0	111.3	W353 V357 P368 Y387 I405	W353-L409 HydrophobicContact CD2-CD2 3.77Å; W353-L409 HydrophobicContact CE3-CB 4.43Å; W353-L409 HydrophobicContact CE3-CD2 4.03Å; W353-L409 HydrophobicContact CG-CD2 4.14Å; W353-L409 HydrophobicContact CZ2-CD2 4.36Å; W353-L409 HydrophobicContact CZ3-CB 4.27Å; W353-L409 HydrophobicContact CZ3-CD2 4.43Å; W353-L409 WeakPolarHBondContact O-CD2 3.34Å; V357-L409 HydrophobicContact CG2-CD2 3.8Å; P368-L409 HydrophobicContact CB-CD1 4.24Å; P368-L409 HydrophobicContact CG-CD1 4.23Å; Y387-L409 HydrophobicContact CD1-CB 4.18Å; Y387-L409 HydrophobicContact CD1-CD1 4.16Å; Y387-L409 HydrophobicContact CD2-CD1 4.21Å; Y387-L409 HydrophobicContact CE1-CB 3.45Å; Y387-L409 VanDerWaalsContact CE1-CB 3.45Å; Y387-L409 HydrophobicContact CE1-CD1 4.18Å; Y387-L409 HydrophobicContact CE1-CG 4.47Å; Y387-L409 VanDerWaalsContact CE1-O 3.3Å; Y387-L409 WeakPolarHBondContact CE1-O 3.36Å; Y387-L409 HydrophobicContact CE2-CB 4.25Å; Y387-L409 HydrophobicContact CE2-CD1 4.21Å; Y387-L409 HydrophobicContact CG-CD1 4.19Å; Y387-L409 VanDerWaalsContact CZ-CB 3.49Å; Y387-L409 PolarHBondContact OH-O 2.83Å; I405-L409 HydrophobicContact CG2-CD1 3.72Å; I405-L409 HydrophobicContact CG2-CG 4.19Å; I405-L409 PolarHBondContact O-N 3.46Å
410	V	97	Very high	96.3	Very high	33 Å²	33	44.9 Å²	44.9	20%	0.2	23%	0.227	C	C	.	.			trans	-104.8	129.4	176.1	-175.3	0	0	0	0	109.9	K406 R407 M408 D415 R416	K406-V410 WeakPolarHBondContact O-CG2 3.42Å; R407-V410 WeakPolarHBondContact O-CG2 3.31Å; M408-V410 PolarHBondContact O-N 3.18Å; V410-D415 HydrophobicContact CG1-CB 3.76Å; V410-R416 HydrophobicContact CB-CB 4.06Å; V410-R416 HydrophobicContact CB-CG 4.24Å; V410-R416 PolarHBondContact O-NE 3.16Å; V410-R416 PolarHBondContact O-NH2 2.68Å
411	V	95.4	Very high	96.3	Very high	43 Å²	43	43.9 Å²	43.9	26%	0.261	23%	0.225	S	C	.	.	S	Bend	trans	-72.6	-32.8	-171.8	178.5	0	0	0	0	113.2	P335 I383 G385 P413	P335-V411 HydrophobicContact CB-CG1 4.39Å; P335-V411 HydrophobicContact CG-CB 4.47Å; P335-V411 HydrophobicContact CG-CG1 4.13Å; I383-V411 VanDerWaalsContact O-CG1 3.3Å; I383-V411 WeakPolarHBondContact O-CG1 3.37Å; G385-V411 VanDerWaalsContact CA-CG2 3.48Å; V411-P413 WeakPolarHBondContact O-CD 3.28Å
412	N	92.7	Very high	96.3	Very high	61 Å²	61	43.9 Å²	43.9	33%	0.326	23%	0.225	S	C	.	.	S	Bend	trans	-85.4	117.4	171.3	179.5	10	0	0	0	108.8	N414 D415 R416	N412-N414 PolarHBondContact O-N 3Å; N412-N414 VanDerWaalsContact O-N 3.16Å; N412-N414 PolarHBondContact OD1-N 3.24Å; N412-N414 VanDerWaalsContact OD1-N 3.15Å; N412-N414 PolarHBondContact OD1-ND2 3.09Å; N412-D415 HydrophobicContact CB-CB 4.21Å; N412-D415 VanDerWaalsContact CB-OD2 3.32Å; N412-D415 WeakPolarHBondContact CB-OD2 3.48Å; N412-D415 PolarHBondContact ND2-OD1 2.95Å; N412-D415 PolarHBondContact ND2-OD2 2.99Å; N412-D415 PolarHBondContact O-N 3.46Å; N412-D415 VanDerWaalsContact O-N 3.09Å; N412-R416 PolarHBondContact O-N 2.88Å
413	P	92.1	Very high	96.2	Very high	34 Å²	34	45.2 Å²	45.2	22%	0.221	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-21.7	179.1	23.5	-33.2	0	0	0	113.6	E336 V349 V411	E336-P413 HydrophobicContact CG-CG 4.46Å; V349-P413 HydrophobicContact CG2-CB 3.61Å; V411-P413 WeakPolarHBondContact O-CD 3.28Å
414	N	91.2	Very high	96.1	Very high	141 Å²	141	49 Å²	49	75%	0.754	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-23.9	176.9	-55	-81	0	0	0	113.2	N412	N412-N414 PolarHBondContact O-N 3Å; N412-N414 VanDerWaalsContact O-N 3.16Å; N412-N414 PolarHBondContact OD1-N 3.24Å; N412-N414 VanDerWaalsContact OD1-N 3.15Å; N412-N414 PolarHBondContact OD1-ND2 3.09Å
415	D	94.6	Very high	96	Very high	112 Å²	112	49.2 Å²	49.2	60%	0.599	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-5.6	177.4	-56.4	-31.2	0	0	0	111.8	V410 N412	V410-D415 HydrophobicContact CG1-CB 3.76Å; N412-D415 HydrophobicContact CB-CB 4.21Å; N412-D415 VanDerWaalsContact CB-OD2 3.32Å; N412-D415 WeakPolarHBondContact CB-OD2 3.48Å; N412-D415 PolarHBondContact ND2-OD1 2.95Å; N412-D415 PolarHBondContact ND2-OD2 2.99Å; N412-D415 PolarHBondContact O-N 3.46Å; N412-D415 VanDerWaalsContact O-N 3.09Å
416	R	96.5	Very high	96	Very high	13 Å²	13	53.6 Å²	53.6	5%	0.049	28%	0.275	C	S	.	.	S	Bend	trans	-77.3	138.1	178.7	-164.8	-179.9	-59.1	146.3	9.4	109.8	E336 V349 M408 V410 N412	E336-R416 IonicContact OE1-CZ 2.62Å; E336-R416 VanDerWaalsContact OE1-CZ 3.31Å; E336-R416 IonicContact OE1-NH1 3.16Å; E336-R416 PolarHBondContact OE1-NH1 2.81Å; E336-R416 IonicContact OE1-NH2 2.72Å; E336-R416 PolarHBondContact OE1-NH2 3.12Å; E336-R416 VanDerWaalsContact OE1-NH2 3.12Å; E336-R416 IonicContact OE2-CZ 3.49Å; E336-R416 IonicContact OE2-NH1 2.63Å; E336-R416 IonicContact OE2-NH2 2.65Å; E336-R416 PolarHBondContact OE2-NH2 2.9Å; V349-R416 WeakPolarHBondContact O-CD 3.43Å; V349-R416 PolarHBondContact O-NH1 2.91Å; M408-R416 WeakPolarHBondContact O-CD 3.33Å; M408-R416 VanDerWaalsContact O-CG 3.25Å; M408-R416 WeakPolarHBondContact O-CG 3.35Å; M408-R416 PolarHBondContact O-NE 3.15Å; V410-R416 HydrophobicContact CB-CB 4.06Å; V410-R416 HydrophobicContact CB-CG 4.24Å; V410-R416 PolarHBondContact O-NE 3.16Å; V410-R416 PolarHBondContact O-NH2 2.68Å; N412-R416 PolarHBondContact O-N 2.88Å
417	S	95.5	Very high	95.9	Very high	22 Å²	22	49.4 Å²	49.4	15%	0.154	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-61	143.7	176.3	-67.7	0	0	0	0	111.8	V352 R407	V352-S417 WeakPolarHBondContact CG1-O 3.1Å; R407-S417 WeakPolarHBondContact CB-OG 3.17Å; R407-S417 PolarHBondContact O-N 3.48Å; R407-S417 VanDerWaalsContact O-N 3.07Å; R407-S417 PolarHBondContact O-OG 2.93Å
418	S	94.8	Very high	95.9	Very high	34 Å²	34	45.3 Å²	45.3	24%	0.238	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-78.8	165.9	171.4	78.3	0	0	0	0	111	Y420 D421 V422	S418-Y420 PolarHBondContact O-N 3.03Å; S418-Y420 VanDerWaalsContact O-N 3.17Å; S418-Y420 PolarHBondContact OG-N 3.25Å; S418-D421 VanDerWaalsContact CB-OD2 3.3Å; S418-D421 WeakPolarHBondContact CB-OD2 3.28Å; S418-D421 PolarHBondContact N-OD2 2.95Å; S418-D421 PolarHBondContact O-N 3.36Å; S418-D421 VanDerWaalsContact OG-CG 3.27Å; S418-D421 PolarHBondContact OG-N 3.17Å; S418-D421 PolarHBondContact OG-OD2 3.05Å; S418-V422 PolarHBondContact O-N 3.03Å
419	I	96.4	Very high	95.7	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-29.2	174.3	-159.7	69.2	0	0	0	112.2	V274 V277 K278 H281 V352 L355 D421 L423	V274-I419 HydrophobicContact CB-CD1 4.43Å; V274-I419 HydrophobicContact CG1-CD1 3.84Å; V274-I419 HydrophobicContact CG1-CG1 4.18Å; V277-I419 HydrophobicContact CB-CD1 4.1Å; V277-I419 HydrophobicContact CG1-CD1 3.81Å; V277-I419 HydrophobicContact CG1-CG1 4.25Å; K278-I419 HydrophobicContact CB-CG1 3.84Å; K278-I419 HydrophobicContact CB-CG2 4.17Å; K278-I419 HydrophobicContact CG-CG2 4.07Å; H281-I419 HydrophobicContact CB-CG2 4.4Å; V352-I419 HydrophobicContact CG2-CB 4.33Å; V352-I419 HydrophobicContact CG2-CD1 4.32Å; L355-I419 HydrophobicContact CD1-CD1 3.56Å; I419-D421 VanDerWaalsContact C-N 3.33Å; I419-L423 WeakPolarHBondContact O-CG 3.36Å; I419-L423 PolarHBondContact O-N 2.93Å; I419-L423 VanDerWaalsContact O-N 3.14Å
420	Y	96	Very high	95.5	Very high	100 Å²	100	51.8 Å²	51.8	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-73.3	-22.6	176.2	-55.5	-90.1	0	0	0	113.4	K278 D282 S418 K424	K278-Y420 HydrophobicContact CG-CE1 4.47Å; D282-Y420 PolarHBondContact OD1-OH 2.7Å; D282-Y420 VanDerWaalsContact OD1-OH 3.12Å; S418-Y420 PolarHBondContact O-N 3.03Å; S418-Y420 VanDerWaalsContact O-N 3.17Å; S418-Y420 PolarHBondContact OG-N 3.25Å; Y420-K424 VanDerWaalsContact O-CD 3.26Å; Y420-K424 WeakPolarHBondContact O-CD 3.32Å; Y420-K424 WeakPolarHBondContact O-CE 3.3Å; Y420-K424 VanDerWaalsContact O-CG 3.31Å; Y420-K424 WeakPolarHBondContact O-CG 3.38Å; Y420-K424 PolarHBondContact O-NZ 3.47Å
421	D	96.7	Very high	95.4	Very high	71 Å²	71	54.6 Å²	54.6	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-89.3	-37	177.8	-53.1	-49.3	0	0	0	110.2	S418 I419 L423 K424 D425	S418-D421 VanDerWaalsContact CB-OD2 3.3Å; S418-D421 WeakPolarHBondContact CB-OD2 3.28Å; S418-D421 PolarHBondContact N-OD2 2.95Å; S418-D421 PolarHBondContact O-N 3.36Å; S418-D421 VanDerWaalsContact OG-CG 3.27Å; S418-D421 PolarHBondContact OG-N 3.17Å; S418-D421 PolarHBondContact OG-OD2 3.05Å; I419-D421 VanDerWaalsContact C-N 3.33Å; D421-L423 VanDerWaalsContact C-N 3.31Å; D421-L423 PolarHBondContact O-N 3.37Å; D421-K424 CarbonylContact O-C 3.32Å; D421-K424 PolarHBondContact O-N 3.09Å; D421-K424 IonicContact OD1-NZ 2.6Å; D421-K424 PolarHBondContact OD1-NZ 2.81Å; D421-D425 PolarHBondContact O-N 2.55Å
422	V	97.8	Very high	95.4	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-56	-44	168.9	173.7	0	0	0	0	111.1	F270 V274 V352 L404 M408 S418 K424 D425 L428	F270-V422 HydrophobicContact CE1-CG1 3.89Å; F270-V422 HydrophobicContact CZ-CG1 4.31Å; V274-V422 HydrophobicContact CB-CG1 4.49Å; V274-V422 HydrophobicContact CG1-CB 4.46Å; V274-V422 HydrophobicContact CG1-CG1 3.87Å; V274-V422 HydrophobicContact CG2-CG1 3.7Å; V352-V422 HydrophobicContact CG1-CG2 3.97Å; L404-V422 HydrophobicContact CD1-CB 4.43Å; L404-V422 HydrophobicContact CD1-CG1 3.99Å; L404-V422 HydrophobicContact CD1-CG2 4.15Å; M408-V422 HydrophobicContact CG-CG2 3.85Å; M408-V422 HydrophobicContact SD-CG1 4.28Å; M408-V422 HydrophobicContact SD-CG2 3.84Å; S418-V422 PolarHBondContact O-N 3.03Å; V422-K424 PolarHBondContact O-N 3Å; V422-D425 WeakPolarHBondContact O-CB 3.3Å; V422-D425 PolarHBondContact O-N 2.76Å; V422-D425 VanDerWaalsContact O-N 3.1Å; V422-L428 HydrophobicContact CG1-CD1 4.28Å
423	L	95.6	Very high	95.6	Very high	44 Å²	44	56.8 Å²	56.8	23%	0.23	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.8	175.6	-79.7	170.2	0	0	0	114.9	L271 V274 V275 K278 I419 D421	L271-L423 HydrophobicContact CD1-CD2 4.38Å; V274-L423 HydrophobicContact CB-CD2 4.42Å; V274-L423 HydrophobicContact CG1-CD1 4.43Å; V274-L423 HydrophobicContact CG1-CD2 3.48Å; V274-L423 VanDerWaalsContact CG1-CD2 3.48Å; V274-L423 HydrophobicContact CG1-CG 3.52Å; V275-L423 HydrophobicContact CG2-CD2 3.95Å; K278-L423 HydrophobicContact CB-CD1 4.02Å; K278-L423 HydrophobicContact CD-CD1 3.7Å; K278-L423 HydrophobicContact CG-CD1 3.72Å; I419-L423 WeakPolarHBondContact O-CG 3.36Å; I419-L423 PolarHBondContact O-N 2.93Å; I419-L423 VanDerWaalsContact O-N 3.14Å; D421-L423 VanDerWaalsContact C-N 3.31Å; D421-L423 PolarHBondContact O-N 3.37Å
424	K	96.2	Very high	95.8	Very high	135 Å²	135	58.3 Å²	58.3	59%	0.587	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	0.4	178.8	-59.7	164.7	-161.3	145.3	0	112.2	Y420 D421 V422	Y420-K424 VanDerWaalsContact O-CD 3.26Å; Y420-K424 WeakPolarHBondContact O-CD 3.32Å; Y420-K424 WeakPolarHBondContact O-CE 3.3Å; Y420-K424 VanDerWaalsContact O-CG 3.31Å; Y420-K424 WeakPolarHBondContact O-CG 3.38Å; Y420-K424 PolarHBondContact O-NZ 3.47Å; D421-K424 CarbonylContact O-C 3.32Å; D421-K424 PolarHBondContact O-N 3.09Å; D421-K424 IonicContact OD1-NZ 2.6Å; D421-K424 PolarHBondContact OD1-NZ 2.81Å; V422-K424 PolarHBondContact O-N 3Å
425	D	97.5	Very high	96.1	Very high	6 Å²	6	55.8 Å²	55.8	3%	0.032	29%	0.288	C	S	.	.			trans	-64.6	132.2	-174	-163.6	-64	0	0	0	110.8	L404 R407 D421 V422 W427 L428 I429	L404-D425 WeakPolarHBondContact CB-OD2 3.35Å; L404-D425 HydrophobicContact CD1-CB 4.06Å; L404-D425 VanDerWaalsContact CD1-OD2 3.29Å; L404-D425 WeakPolarHBondContact CD1-OD2 3.43Å; L404-D425 HydrophobicContact CD2-CB 4.45Å; R407-D425 IonicContact CZ-OD2 3.63Å; R407-D425 IonicContact NE-OD2 2.73Å; R407-D425 PolarHBondContact NE-OD2 3.23Å; R407-D425 IonicContact NH2-OD1 3.51Å; R407-D425 PolarHBondContact NH2-OD1 3.46Å; R407-D425 IonicContact NH2-OD2 2.87Å; R407-D425 PolarHBondContact NH2-OD2 3.06Å; D421-D425 PolarHBondContact O-N 2.55Å; V422-D425 WeakPolarHBondContact O-CB 3.3Å; V422-D425 PolarHBondContact O-N 2.76Å; V422-D425 VanDerWaalsContact O-N 3.1Å; D425-W427 PolarHBondContact O-N 2.91Å; D425-W427 PolarHBondContact OD1-N 3.16Å; D425-W427 VanDerWaalsContact OD1-N 3.07Å; D425-L428 PolarHBondContact O-N 2.8Å; D425-I429 PolarHBondContact O-N 3.01Å
426	P	96.9	Very high	96.2	Very high	91 Å²	91	53.1 Å²	53.1	59%	0.591	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-27.4	177.8	-31.1	36.6	0	0	0	115.1	I429	P426-I429 PolarHBondContact O-N 2.85Å
427	W	97.8	Very high	96.2	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.015	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.7	174.4	-170.5	65.6	0	0	0	113.6	E263 K267 F270 L359 L363 S398 E400 A401 L404 D425	E263-W427 HydrophobicContact CG-CZ2 3.78Å; E263-W427 PolarHBondContact OE1-NE1 3.31Å; K267-W427 HydrophobicContact CB-CH2 3.63Å; K267-W427 HydrophobicContact CB-CZ2 3.69Å; K267-W427 HydrophobicContact CB-CZ3 4.14Å; K267-W427 VanDerWaalsContact CD-O 3.27Å; K267-W427 WeakPolarHBondContact CD-O 3.38Å; K267-W427 WeakPolarHBondContact CE-O 3.28Å; K267-W427 HydrophobicContact CG-CD2 4.32Å; K267-W427 HydrophobicContact CG-CE3 4.15Å; K267-W427 HydrophobicContact CG-CH2 3.99Å; K267-W427 HydrophobicContact CG-CZ2 4.1Å; K267-W427 HydrophobicContact CG-CZ3 4Å; K267-W427 PolarHBondContact NZ-O 3.45Å; F270-W427 HydrophobicContact CB-CZ3 4.18Å; F270-W427 AromaticContact CD1-CZ3 3.87Å; F270-W427 HydrophobicContact CD1-CZ3 3.87Å; F270-W427 HydrophobicContact CG-CZ3 4.28Å; L359-W427 HydrophobicContact CD1-CH2 3.51Å; L359-W427 HydrophobicContact CD1-CZ2 4.46Å; L359-W427 HydrophobicContact CD1-CZ3 3.73Å; L359-W427 HydrophobicContact CD2-CE3 4.48Å; L359-W427 HydrophobicContact CD2-CZ3 4.02Å; L363-W427 HydrophobicContact CD2-CZ2 4.36Å; S398-W427 PolarHBondContact OG-NE1 3.46Å; E400-W427 HydrophobicContact CB-CB 3.97Å; E400-W427 HydrophobicContact CB-CG 4.35Å; A401-W427 HydrophobicContact CB-CD2 4.27Å; A401-W427 HydrophobicContact CB-CG 4.23Å; A401-W427 HydrophobicContact CB-CZ2 4.38Å; L404-W427 HydrophobicContact CD2-CB 4.19Å; L404-W427 HydrophobicContact CD2-CD2 4.22Å; L404-W427 HydrophobicContact CD2-CE3 3.46Å; L404-W427 VanDerWaalsContact CD2-CE3 3.46Å; L404-W427 HydrophobicContact CD2-CZ3 4.18Å; D425-W427 PolarHBondContact O-N 2.91Å; D425-W427 PolarHBondContact OD1-N 3.16Å; D425-W427 VanDerWaalsContact OD1-N 3.07Å
428	L	96.5	Very high	96.2	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-7.3	178	-70.2	-170.8	0	0	0	113.8	K267 F270 L271 V274 V422 D425 D430 Q434	K267-L428 HydrophobicContact CG-CD2 3.74Å; F270-L428 HydrophobicContact CD1-CD1 4.29Å; F270-L428 HydrophobicContact CD1-CD2 4.27Å; F270-L428 HydrophobicContact CE1-CD1 4.43Å; L271-L428 HydrophobicContact CB-CD2 4.25Å; L271-L428 HydrophobicContact CD1-CD1 4.18Å; L271-L428 HydrophobicContact CD1-CD2 4.49Å; V274-L428 HydrophobicContact CG2-CD1 4.46Å; V422-L428 HydrophobicContact CG1-CD1 4.28Å; D425-L428 PolarHBondContact O-N 2.8Å; L428-D430 PolarHBondContact O-N 3.24Å; L428-Q434 PolarHBondContact O-NE2 3.28Å
429	I	94.1	Very high	96.2	Very high	100 Å²	100	60.1 Å²	60.1	51%	0.513	30%	0.3	S	S	.	.			trans	-78	71.5	171.1	-51.4	-53	0	0	0	109.6	D425 P426	D425-I429 PolarHBondContact O-N 3.01Å; P426-I429 PolarHBondContact O-N 2.85Å
430	D	94.3	Very high	96.1	Very high	38 Å²	38	61.8 Å²	61.8	20%	0.203	31%	0.309	C	S	.	.			trans	-128.7	99.9	-177.3	-173	-40.8	0	0	0	109	K267 L428 E432 I433 Q434	K267-D430 HydrophobicContact CD-CB 3.61Å; K267-D430 WeakPolarHBondContact CD-OD2 3.38Å; K267-D430 WeakPolarHBondContact CE-OD2 3.37Å; K267-D430 IonicContact NZ-OD2 2.73Å; K267-D430 PolarHBondContact NZ-OD2 2.98Å; L428-D430 PolarHBondContact O-N 3.24Å; D430-E432 VanDerWaalsContact C-N 3.25Å; D430-E432 PolarHBondContact O-N 3.08Å; D430-E432 PolarHBondContact OD1-N 3.4Å; D430-I433 HydrophobicContact CB-CB 4.23Å; D430-I433 HydrophobicContact CB-CG1 4.48Å; D430-I433 PolarHBondContact O-N 3.14Å; D430-I433 PolarHBondContact OD1-N 3.3Å; D430-I433 VanDerWaalsContact OD1-N 3.16Å; D430-Q434 VanDerWaalsContact O-CB 3.28Å; D430-Q434 WeakPolarHBondContact O-CB 3.42Å; D430-Q434 WeakPolarHBondContact O-CG 3.25Å; D430-Q434 PolarHBondContact O-N 3.39Å
431	T	95.2	Very high	96	Very high	92 Å²	92	57.8 Å²	57.8	56%	0.564	29%	0.294	S	S	*	.	H	α-helix	trans	-66.1	-25.3	-171.1	-51.8	0	0	0	0	113.2	N435	T431-N435 VanDerWaalsContact O-CB 3.28Å; T431-N435 WeakPolarHBondContact O-CB 3.4Å; T431-N435 PolarHBondContact O-N 3.31Å; T431-N435 PolarHBondContact O-ND2 3.31Å
432	E	96.1	Very high	95.8	Very high	149 Å²	149	56.3 Å²	56.3	70%	0.696	29%	0.289	S	S	*	.	H	α-helix	trans	-72.5	-51.9	176.1	-172.3	174.1	171.9	0	0	110.1	D430 Q434 N435 E436	D430-E432 VanDerWaalsContact C-N 3.25Å; D430-E432 PolarHBondContact O-N 3.08Å; D430-E432 PolarHBondContact OD1-N 3.4Å; E432-Q434 PolarHBondContact O-N 3.39Å; E432-N435 PolarHBondContact O-N 2.84Å; E432-E436 PolarHBondContact O-N 2.83Å
433	I	96.3	Very high	95.5	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-67.4	-37.8	-179.6	-60.3	-56.9	0	0	0	112.1	K267 F268 L271 D430 E436 V437	K267-I433 HydrophobicContact CD-CB 4.41Å; K267-I433 HydrophobicContact CD-CG1 4.32Å; K267-I433 HydrophobicContact CD-CG2 4.42Å; K267-I433 HydrophobicContact CG-CG2 4.29Å; F268-I433 HydrophobicContact CB-CD1 4.45Å; F268-I433 HydrophobicContact CB-CG2 3.98Å; L271-I433 HydrophobicContact CD2-CG2 4.35Å; D430-I433 HydrophobicContact CB-CB 4.23Å; D430-I433 HydrophobicContact CB-CG1 4.48Å; D430-I433 PolarHBondContact O-N 3.14Å; D430-I433 PolarHBondContact OD1-N 3.3Å; D430-I433 VanDerWaalsContact OD1-N 3.16Å; I433-E436 PolarHBondContact O-N 2.73Å; I433-V437 HydrophobicContact CG2-CG2 4.46Å; I433-V437 WeakPolarHBondContact O-CB 3.27Å; I433-V437 WeakPolarHBondContact O-CG2 3.42Å; I433-V437 PolarHBondContact O-N 2.97Å
434	Q	96.4	Very high	95.2	Very high	65 Å²	65	61.7 Å²	61.7	30%	0.304	31%	0.312	S	S	.	.	H	α-helix	trans	-60.7	-45.5	173.1	-74.5	175.5	-1.9	0	0	111.7	L271 L428 D430 E432 Q438	L271-Q434 HydrophobicContact CD2-CB 4.45Å; L271-Q434 HydrophobicContact CD2-CG 3.91Å; L428-Q434 PolarHBondContact O-NE2 3.28Å; D430-Q434 VanDerWaalsContact O-CB 3.28Å; D430-Q434 WeakPolarHBondContact O-CB 3.42Å; D430-Q434 WeakPolarHBondContact O-CG 3.25Å; D430-Q434 PolarHBondContact O-N 3.39Å; E432-Q434 PolarHBondContact O-N 3.39Å; Q434-Q438 VanDerWaalsContact O-CB 3.24Å; Q434-Q438 PolarHBondContact O-N 2.82Å; Q434-Q438 WeakPolarHBondContact O-CB 3.44Å
435	N	96.4	Very high	94.7	Very high	88 Å²	88	57.5 Å²	57.5	47%	0.471	30%	0.3	S	S	.	.	H	α-helix	trans	-66.6	-38.4	178.3	-80.1	-38	0	0	0	112.4	T431 E432 Q439	T431-N435 VanDerWaalsContact O-CB 3.28Å; T431-N435 WeakPolarHBondContact O-CB 3.4Å; T431-N435 PolarHBondContact O-N 3.31Å; T431-N435 PolarHBondContact O-ND2 3.31Å; E432-N435 PolarHBondContact O-N 2.84Å; N435-Q439 WeakPolarHBondContact O-CB 3.44Å; N435-Q439 PolarHBondContact O-N 3.05Å; N435-Q439 VanDerWaalsContact O-CG 3.27Å; N435-Q439 WeakPolarHBondContact O-CG 3.43Å
436	E	96.5	Very high	93.8	Very high	57 Å²	57	63.3 Å²	63.3	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-65.4	-49	177.1	-168.2	-176.8	-179.3	0	0	111.5	F268 R303 E432 I433 Q438 Q439 L440	F268-E436 HydrophobicContact CD2-CG 4.4Å; F268-E436 HydrophobicContact CE2-CG 3.97Å; R303-E436 WeakPolarHBondContact CD-OE1 3.39Å; R303-E436 VanDerWaalsContact CD-OE2 3.27Å; R303-E436 WeakPolarHBondContact CD-OE2 3.46Å; R303-E436 IonicContact CZ-OE2 3.75Å; R303-E436 IonicContact NE-OE2 3.59Å; R303-E436 IonicContact NH1-OE2 2.68Å; R303-E436 PolarHBondContact NH1-OE2 3.4Å; E432-E436 PolarHBondContact O-N 2.83Å; I433-E436 PolarHBondContact O-N 2.73Å; E436-Q438 PolarHBondContact O-N 2.81Å; E436-Q439 PolarHBondContact O-N 2.88Å; E436-L440 HydrophobicContact CG-CD1 4.46Å; E436-L440 WeakPolarHBondContact O-CG 3.21Å; E436-L440 PolarHBondContact O-N 3.18Å
437	V	96.8	Very high	92.6	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-44.7	177.2	168	0	0	0	0	111.1	F268 L271 Q272 I433 Q439 L440 I441	F268-V437 HydrophobicContact CD2-CG2 3.67Å; F268-V437 HydrophobicContact CE2-CG2 3.87Å; F268-V437 HydrophobicContact CG-CG2 4.4Å; L271-V437 HydrophobicContact CD2-CB 4.11Å; L271-V437 HydrophobicContact CD2-CG1 4.32Å; L271-V437 HydrophobicContact CD2-CG2 4.12Å; L271-V437 HydrophobicContact CG-CG1 4.38Å; Q272-V437 HydrophobicContact CG-CB 4.43Å; Q272-V437 HydrophobicContact CG-CG1 3.65Å; Q272-V437 HydrophobicContact CG-CG2 3.92Å; I433-V437 HydrophobicContact CG2-CG2 4.46Å; I433-V437 WeakPolarHBondContact O-CB 3.27Å; I433-V437 WeakPolarHBondContact O-CG2 3.42Å; I433-V437 PolarHBondContact O-N 2.97Å; V437-Q439 PolarHBondContact O-N 3.25Å; V437-L440 PolarHBondContact O-N 3.12Å; V437-I441 HydrophobicContact CG1-CD1 3.64Å; V437-I441 PolarHBondContact O-N 3.09Å; V437-I441 WeakPolarHBondContact O-CG1 3.36Å; V437-I441 WeakPolarHBondContact O-CB 3.49Å; V437-I441 HydrophobicContact CG1-CG1 4.34Å
438	Q	95.4	Very high	90.9	Very high	119 Å²	119	64.7 Å²	64.7	56%	0.556	34%	0.336	S	S	*	.	H	α-helix	trans	-63	-39.1	178.9	-173.1	60.4	46.4	0	0	112.5	Q434 E436 S442	Q434-Q438 VanDerWaalsContact O-CB 3.24Å; Q434-Q438 PolarHBondContact O-N 2.82Å; Q434-Q438 WeakPolarHBondContact O-CB 3.44Å; E436-Q438 PolarHBondContact O-N 2.81Å; Q438-S442 PolarHBondContact O-N 3.03Å; Q438-S442 PolarHBondContact O-OG 3.31Å
439	Q	95	Very high	88.8	Confident	92 Å²	92	69.9 Å²	69.9	43%	0.43	37%	0.367	S	S	.	.	H	α-helix	trans	-67.7	-34.2	175.8	-78.2	177.3	52.5	0	0	113.3	N435 E436 V437 S442 R443	N435-Q439 WeakPolarHBondContact O-CB 3.44Å; N435-Q439 PolarHBondContact O-N 3.05Å; N435-Q439 VanDerWaalsContact O-CG 3.27Å; N435-Q439 WeakPolarHBondContact O-CG 3.43Å; E436-Q439 PolarHBondContact O-N 2.88Å; V437-Q439 PolarHBondContact O-N 3.25Å; Q439-S442 PolarHBondContact O-OG 3.35Å; Q439-R443 PolarHBondContact O-N 3.01Å; Q439-R443 WeakPolarHBondContact O-CD 3.12Å; Q439-R443 WeakPolarHBondContact O-CG 3.3Å
440	L	94.2	Very high	86.1	Confident	39 Å²	39	69.5 Å²	69.5	20%	0.204	37%	0.373	C	S	.	.	H	α-helix	trans	-71.6	-44.6	175.7	-70.7	172.7	0	0	0	111	F268 L305 E436 V437 S442 R443 A444	F268-L440 HydrophobicContact CE2-CD1 3.6Å; F268-L440 HydrophobicContact CZ-CD1 3.47Å; F268-L440 VanDerWaalsContact CZ-CD1 3.47Å; L305-L440 HydrophobicContact CD2-CB 3.77Å; L305-L440 HydrophobicContact CG-CB 4.03Å; E436-L440 HydrophobicContact CG-CD1 4.46Å; E436-L440 WeakPolarHBondContact O-CG 3.21Å; E436-L440 PolarHBondContact O-N 3.18Å; V437-L440 PolarHBondContact O-N 3.12Å; L440-S442 PolarHBondContact O-N 3.37Å; L440-R443 PolarHBondContact O-N 3.2Å; L440-A444 PolarHBondContact O-N 3.1Å
441	I	94.6	Very high	83.8	Confident	15 Å²	15	71.4 Å²	71.4	8%	0.077	39%	0.39	C	S	.	.	H	α-helix	trans	-59.8	-46	176.7	-70.4	174.5	0	0	0	110.6	P224 L305 V437 A444 S445	P224-I441 HydrophobicContact CB-CG2 4.19Å; P224-I441 HydrophobicContact CG-CG2 3.87Å; P224-I441 WeakPolarHBondContact CG-O 3.5Å; L305-I441 HydrophobicContact CD2-CG1 3.98Å; V437-I441 HydrophobicContact CG1-CD1 3.64Å; V437-I441 PolarHBondContact O-N 3.09Å; V437-I441 WeakPolarHBondContact O-CG1 3.36Å; V437-I441 WeakPolarHBondContact O-CB 3.49Å; V437-I441 HydrophobicContact CG1-CG1 4.34Å; I441-A444 PolarHBondContact O-N 3.42Å; I441-S445 PolarHBondContact O-N 3.01Å; I441-S445 VanDerWaalsContact O-N 3.1Å; I441-S445 PolarHBondContact O-OG 2.88Å
442	S	93	Very high	81.5	Confident	41 Å²	41	69.5 Å²	69.5	29%	0.287	38%	0.376	S	S	.	.	H	α-helix	trans	-64.2	-45.1	-179	69.6	0	0	0	0	112.9	Q438 Q439 L440 A444 S445 E446	Q438-S442 PolarHBondContact O-N 3.03Å; Q438-S442 PolarHBondContact O-OG 3.31Å; Q439-S442 PolarHBondContact O-OG 3.35Å; L440-S442 PolarHBondContact O-N 3.37Å; S442-A444 VanDerWaalsContact C-N 3.28Å; S442-A444 PolarHBondContact O-N 2.88Å; S442-S445 WeakPolarHBondContact O-CB 3.36Å; S442-S445 VanDerWaalsContact O-N 3.16Å; S442-S445 PolarHBondContact O-N 3.47Å; S442-E446 WeakPolarHBondContact O-CG 3.4Å; S442-E446 PolarHBondContact O-N 2.69Å
443	R	91.6	Very high	78.8	Confident	130 Å²	130	69.8 Å²	69.8	49%	0.491	38%	0.377	S	S	.	.	H	α-helix	trans	-60.1	-36.3	177.8	-71.7	170.4	-170.1	148.9	12.5	112.6	Q439 L440 T447	Q439-R443 PolarHBondContact O-N 3.01Å; Q439-R443 WeakPolarHBondContact O-CD 3.12Å; Q439-R443 WeakPolarHBondContact O-CG 3.3Å; L440-R443 PolarHBondContact O-N 3.2Å; R443-T447 PolarHBondContact O-N 3.06Å; R443-T447 VanDerWaalsContact O-N 3.14Å; R443-T447 PolarHBondContact O-OG1 2.82Å
444	A	89.3	Confident	76.1	Confident	27 Å²	27	73 Å²	73	22%	0.223	40%	0.399	C	S	.	.	H	α-helix	trans	-70.4	-40.4	175.7	0	0	0	0	0	112.5	P224 L305 L440 I441 S442 E446 T447 S448	P224-A444 HydrophobicContact CB-CB 3.86Å; P224-A444 HydrophobicContact CG-CB 4.22Å; L305-A444 HydrophobicContact CD1-CB 3.47Å; L305-A444 VanDerWaalsContact CD1-CB 3.47Å; L440-A444 PolarHBondContact O-N 3.1Å; I441-A444 PolarHBondContact O-N 3.42Å; S442-A444 VanDerWaalsContact C-N 3.28Å; S442-A444 PolarHBondContact O-N 2.88Å; A444-E446 VanDerWaalsContact C-N 3.33Å; A444-E446 PolarHBondContact O-N 3.21Å; A444-T447 PolarHBondContact O-N 3.38Å; A444-S448 VanDerWaalsContact O-N 3.08Å; A444-S448 PolarHBondContact O-N 2.7Å
445	S	84.9	Confident	73.7	Confident	48 Å²	48	73.6 Å²	73.6	34%	0.336	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-36.4	172.7	-64	0	0	0	0	113	P224 I441 S442 T447 S448 V449	P224-S445 WeakPolarHBondContact CG-OG 3.37Å; I441-S445 PolarHBondContact O-N 3.01Å; I441-S445 VanDerWaalsContact O-N 3.1Å; I441-S445 PolarHBondContact O-OG 2.88Å; S442-S445 WeakPolarHBondContact O-CB 3.36Å; S442-S445 VanDerWaalsContact O-N 3.16Å; S442-S445 PolarHBondContact O-N 3.47Å; S445-T447 VanDerWaalsContact C-N 3.33Å; S445-S448 PolarHBondContact O-OG 3.02Å; S445-V449 WeakPolarHBondContact O-CG2 3.48Å
446	E	79.5	Confident	70.8	Confident	128 Å²	128	74.8 Å²	74.8	60%	0.598	41%	0.408	S	S	*	.	H	α-helix	trans	-65.8	-37	174	-71.2	162.1	-166.7	0	0	111.8	S442 A444	S442-E446 WeakPolarHBondContact O-CG 3.4Å; S442-E446 PolarHBondContact O-N 2.69Å; A444-E446 VanDerWaalsContact C-N 3.33Å; A444-E446 PolarHBondContact O-N 3.21Å
447	T	71.4	Confident	67.7	Low	89 Å²	89	78.1 Å²	78.1	55%	0.546	43%	0.427	S	S	.	.	H	α-helix	trans	-69.9	-46.8	-179.1	-55.2	0	0	0	0	111.8	R443 A444 S445 V449 S450 S451	R443-T447 PolarHBondContact O-N 3.06Å; R443-T447 VanDerWaalsContact O-N 3.14Å; R443-T447 PolarHBondContact O-OG1 2.82Å; A444-T447 PolarHBondContact O-N 3.38Å; S445-T447 VanDerWaalsContact C-N 3.33Å; T447-V449 VanDerWaalsContact C-N 3.32Å; T447-V449 PolarHBondContact O-N 3.21Å; T447-S450 WeakPolarHBondContact O-CB 3.5Å; T447-S450 PolarHBondContact O-N 3.1Å; T447-S451 PolarHBondContact O-N 2.82Å; T447-S451 PolarHBondContact O-OG 3.49Å
448	S	61.9	Low	65	Low	35 Å²	35	81.3 Å²	81.3	25%	0.245	45%	0.446	C	S	.	.	H	α-helix	trans	-64	-34	-175.9	60.9	0	0	0	0	113.5	A444 S445 S450 S451 N452	A444-S448 VanDerWaalsContact O-N 3.08Å; A444-S448 PolarHBondContact O-N 2.7Å; S445-S448 PolarHBondContact O-OG 3.02Å; S448-S450 PolarHBondContact O-N 3.45Å; S448-S451 PolarHBondContact O-N 3.32Å; S448-N452 VanDerWaalsContact O-N 3.17Å; S448-N452 VanDerWaalsContact O-OD1 3.1Å; S448-N452 PolarHBondContact O-OD1 2.85Å; S448-N452 PolarHBondContact O-ND2 2.7Å; S448-N452 PolarHBondContact O-N 2.98Å
449	V	53	Low	62.2	Low	109 Å²	109	80.1 Å²	80.1	66%	0.661	45%	0.451	S	S	*	.	H	α-helix	trans	-59.3	-32	174.2	173.8	0	0	0	0	112	S445 T447	S445-V449 WeakPolarHBondContact O-CG2 3.48Å; T447-V449 VanDerWaalsContact C-N 3.32Å; T447-V449 PolarHBondContact O-N 3.21Å
450	S	36.2	Very low	59.3	Low	93 Å²	93	84.3 Å²	84.3	65%	0.65	47%	0.468	S	S	*	.	H	α-helix	trans	-76	-38.5	177.1	-55.8	0	0	0	0	112.3	T447 S448 N452	T447-S450 WeakPolarHBondContact O-CB 3.5Å; T447-S450 PolarHBondContact O-N 3.1Å; S448-S450 PolarHBondContact O-N 3.45Å; S450-N452 VanDerWaalsContact C-N 3.31Å; S450-N452 PolarHBondContact O-N 2.83Å
451	S	47.4	Very low	56.3	Low	78 Å²	78	91 Å²	91	55%	0.545	50%	0.498	S	S	.	.	H	α-helix	trans	-67.7	-27.7	178.9	-53.6	0	0	0	0	113.7	T447 S448 H453	T447-S451 PolarHBondContact O-N 2.82Å; T447-S451 PolarHBondContact O-OG 3.49Å; S448-S451 PolarHBondContact O-N 3.32Å; S451-H453 PolarHBondContact O-N 3.2Å
452	N	45.1	Very low	53.4	Low	51 Å²	51	96.2 Å²	96.2	27%	0.273	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-67.4	-1.8	-174.4	-69.1	-8	0	0	0	114.4	S448 S450 C454 Q455	S448-N452 VanDerWaalsContact O-N 3.17Å; S448-N452 VanDerWaalsContact O-OD1 3.1Å; S448-N452 PolarHBondContact O-OD1 2.85Å; S448-N452 PolarHBondContact O-ND2 2.7Å; S448-N452 PolarHBondContact O-N 2.98Å; S450-N452 VanDerWaalsContact C-N 3.31Å; S450-N452 PolarHBondContact O-N 2.83Å; N452-C454 PolarHBondContact O-N 3.37Å; N452-Q455 PolarHBondContact OD1-OE1 3.22Å; N452-Q455 PolarHBondContact OD1-NE2 3.33Å; N452-Q455 PolarHBondContact O-N 3.38Å; N452-Q455 WeakPolarHBondContact O-CB 3.44Å; N452-Q455 VanDerWaalsContact CG-OE1 3.26Å; N452-Q455 VanDerWaalsContact OD1-CD 3.31Å
453	H	39.2	Very low	50.4	Low	155 Å²	155	101 Å²	101	72%	0.718	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-63.2	-23.3	-177.5	-138.1	-47.3	0	0	0	114.1	S451	S451-H453 PolarHBondContact O-N 3.2Å
454	C	40.9	Very low	47.5	Very low	71 Å²	71	103.6 Å²	103.6	48%	0.48	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-79.6	-26.5	172.1	-63.5	0	0	0	0	113.6	C183 N452 L456	C183-C454 HydrophobicContact CB-CB 4.24Å; N452-C454 PolarHBondContact O-N 3.37Å; C454-L456 VanDerWaalsContact C-N 3.26Å; C454-L456 PolarHBondContact O-N 2.94Å
455	Q	45	Very low	44.7	Very low	76 Å²	76	106.4 Å²	106.4	36%	0.355	59%	0.592	S	S	.	*	H	α-helix	trans	-73.6	-14.9	-172.1	-64.8	168.7	6.2	0	0	113.9	N452 N457 S459	N452-Q455 PolarHBondContact OD1-OE1 3.22Å; N452-Q455 PolarHBondContact OD1-NE2 3.33Å; N452-Q455 PolarHBondContact O-N 3.38Å; N452-Q455 WeakPolarHBondContact O-CB 3.44Å; N452-Q455 VanDerWaalsContact CG-OE1 3.26Å; N452-Q455 VanDerWaalsContact OD1-CD 3.31Å; Q455-N457 VanDerWaalsContact C-N 3.29Å; Q455-N457 PolarHBondContact O-N 2.64Å; Q455-S459 PolarHBondContact O-OG 2.82Å
456	L	35.9	Very low	42.2	Very low	114 Å²	114	109.1 Å²	109.1	60%	0.597	61%	0.611	S	S	*	*	H	α-helix	trans	-73.4	-14.1	-172	-73.7	166.6	0	0	0	114.7	C454	C454-L456 VanDerWaalsContact C-N 3.26Å; C454-L456 PolarHBondContact O-N 2.94Å
457	N	32.1	Very low	40	Very low	126 Å²	126	109.7 Å²	109.7	67%	0.674	62%	0.617	S	S	*	*	H	α-helix	trans	-99	-40.4	-177.4	-71	-15.1	0	0	0	113.7	Q455 S459	Q455-N457 VanDerWaalsContact C-N 3.29Å; Q455-N457 PolarHBondContact O-N 2.64Å; N457-S459 VanDerWaalsContact C-N 3.27Å; N457-S459 PolarHBondContact O-N 3.41Å
458	V	39.1	Very low	38.1	Very low	71 Å²	71	110.6 Å²	110.6	43%	0.43	63%	0.627	S	S	.	*	H	α-helix	trans	-64.6	-30	-172.6	-174.4	0	0	0	0	112.7	K460	V458-K460 PolarHBondContact O-N 3.43Å; V458-K460 VanDerWaalsContact C-N 3.29Å
459	S	36.6	Very low	36.7	Very low	94 Å²	94	118 Å²	118	66%	0.657	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	13.7	-171.8	50.5	0	0	0	0	115.8	Q455 N457	Q455-S459 PolarHBondContact O-OG 2.82Å; N457-S459 VanDerWaalsContact C-N 3.27Å; N457-S459 PolarHBondContact O-N 3.41Å
460	K	34.4	Very low	35.8	Very low	181 Å²	181	116.9 Å²	116.9	79%	0.787	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.6	1.5	-175.6	-76.8	-176.8	179.2	170.3	0	117.4	V458	V458-K460 PolarHBondContact O-N 3.43Å; V458-K460 VanDerWaalsContact C-N 3.29Å
461	Q	31.2	Very low	35.5	Very low	178 Å²	178	120.1 Å²	120.1	83%	0.832	67%	0.668	S	S	*	*			trans	-129.9	57.2	-175.9	-67.1	-165.6	-5.2	0	0	115.2
462	T	33.5	Very low	34.7	Very low	126 Å²	126	121.7 Å²	121.7	77%	0.773	68%	0.678	S	S	*	*	S	Bend	trans	-132	80.4	168.1	42.2	0	0	0	0	113.2	M464	T462-M464 PolarHBondContact O-N 2.96Å
463	N	30.6	Very low	34.2	Very low	140 Å²	140	124.4 Å²	124.4	75%	0.749	70%	0.702	S	S	*	*			trans	44.4	57.8	152.3	-67.6	-23.7	0	0	0	119.4	S465	N463-S465 PolarHBondContact O-N 3.42Å
464	M	30.9	Very low	33.9	Very low	186 Å²	186	124.6 Å²	124.6	92%	0.916	71%	0.708	S	S	*	*			trans	-74.3	68.3	155.4	-101.7	-68.4	-72.1	0	0	110.9	T462	T462-M464 PolarHBondContact O-N 2.96Å
465	S	29.6	Very low	33.4	Very low	86 Å²	86	128.6 Å²	128.6	60%	0.601	73%	0.725	S	S	*	*			trans	-139.2	5.7	-170.8	56.2	0	0	0	0	116.3	N463	N463-S465 PolarHBondContact O-N 3.42Å
466	S	33.2	Very low	32.9	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	75%	0.749	S	S	*	*	S	Bend	trans	-127.7	2.5	-173.4	57.5	0	0	0	0	116.6
467	L	33.5	Very low	32.6	Very low	140 Å²	140	133.5 Å²	133.5	73%	0.733	76%	0.756	S	S	*	*			trans	-119.2	10.9	-175	-86.8	162	0	0	0	115.3	Q469	L467-Q469 PolarHBondContact O-N 3.4Å
468	S	30.6	Very low	32.8	Very low	107 Å²	107	133.1 Å²	133.1	75%	0.748	76%	0.76	S	S	*	*			trans	-79.7	14.9	-177.1	51.9	0	0	0	0	115.6
469	Q	33.1	Very low	32.4	Very low	192 Å²	192	139.3 Å²	139.3	90%	0.897	78%	0.784	S	S	*	*	S	Bend	trans	-130.4	48.2	-178.7	-68.3	-168.2	-12	0	0	113.5	L467	L467-Q469 PolarHBondContact O-N 3.4Å
470	A	33.2	Very low	32	Very low	84 Å²	84	139.4 Å²	139.4	69%	0.694	79%	0.791	S	S	*	*			trans	-140.4	34	174.4	0	0	0	0	0	113.6
471	I	29.8	Very low	31.9	Very low	162 Å²	162	137.1 Å²	137.1	83%	0.831	79%	0.792	S	S	*	*			trans	-120.2	93.4	178.5	-55.6	179.4	0	0	0	110.3
472	S	32	Very low	31.8	Very low	110 Å²	110	136.4 Å²	136.4	77%	0.769	79%	0.794	S	S	*	*			trans	-167.5	134.2	162.7	-81.4	0	0	0	0	109.4
473	S	33	Very low	31.7	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	79%	0.791	S	S	*	*	S	Bend	trans	52.9	112.4	-177.6	51.2	0	0	0	0	115.2
474	N	33.4	Very low	31.7	Very low	159 Å²	159	139.5 Å²	139.5	85%	0.85	80%	0.802	S	S	*	*			cis	-145.2	153.6	37.7	-79.2	-44.2	0	0	0	113.6
475	N	31.2	Very low	31.7	Very low	155 Å²	155	137.4 Å²	137.4	83%	0.829	80%	0.795	S	S	*	*			trans	-84.7	129.4	169.6	-63.8	-33.9	0	0	0	110.4
476	H	34.2	Very low	31.7	Very low	187 Å²	187	139 Å²	139	87%	0.866	80%	0.804	S	S	*	*				-160	145	128.9	-112.7	-75.6	0	0	0	110.6
477	S	29.8	Very low	31.6	Very low	105 Å²	105	141.8 Å²	141.8	73%	0.734	81%	0.805	S	S	*	*			trans	-145	172.2	-176.7	-52	0	0	0	0	107.9
478	P	36	Very low	31.4	Very low	118 Å²	118	140 Å²	140	77%	0.766	81%	0.805	S	S	*	*			cis	-130.4	171.5	-43	35.8	-22.6	0	0	0	111.1
479	E	30.2	Very low	31.4	Very low	202 Å²	202	142.2 Å²	142.2	94%	0.944	81%	0.808	S	S	*	*			trans	-155.7	156.4	148.8	-126	161.3	-151.4	0	0	111.2
480	A	28.9	Very low	31.2	Very low	96 Å²	96	141.7 Å²	141.7	79%	0.793	80%	0.803	S	S	*	*			trans	-137.3	123.9	-168.8	0	0	0	0	0	112.2
481	T	32	Very low	31.1	Very low	133 Å²	133	143.6 Å²	143.6	82%	0.816	81%	0.808	S	S	*	*			trans	-143.8	114.8	176.2	50.5	0	0	0	0	111.3
482	N	29.6	Very low	31.2	Very low	162 Å²	162	143.3 Å²	143.3	87%	0.866	81%	0.809	S	S	*	*			trans	-63.7	147.5	148.5	-79.3	-19.4	0	0	0	107.9
483	P	32.2	Very low	30.9	Very low	111 Å²	111	145.3 Å²	145.3	72%	0.721	81%	0.81	S	S	*	*				-146.7	137.7	98.6	34.9	-18.4	0	0	0	115.1
484	F	29.8	Very low	30.8	Very low	220 Å²	220	148.4 Å²	148.4	97%	0.965	82%	0.817	S	S	*	*			trans	-97.8	112.7	146.4	-95	-86.4	0	0	0	107
485	D	31.6	Very low	30.4	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	82%	0.815	S	S	*	*			trans	-146.7	113.5	172.1	-146.5	-21.4	0	0	0	108.8
486	C	28.7	Very low	30.3	Very low	119 Å²	119	146.5 Å²	146.5	80%	0.804	82%	0.815	S	S	*	*			trans	-107.5	39.3	-161.1	55.9	0	0	0	0	114.1
487	H	30.7	Very low	30.1	Very low	163 Å²	163	142.4 Å²	142.4	76%	0.755	81%	0.805	S	S	*	*			trans	-124.7	120	173.7	-77.6	-53	0	0	0	113.8
488	S	29.1	Very low	30.4	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	81%	0.809	S	S	*	*			trans	61.7	118.4	170.5	69.6	0	0	0	0	117.6
489	N	30.6	Very low	30	Very low	153 Å²	153	146.5 Å²	146.5	82%	0.818	81%	0.812	S	S	*	*				-166.5	174.3	103.9	-103.9	-66.9	0	0	0	112.7
490	K	30.1	Very low	30.1	Very low	180 Å²	180	141.8 Å²	141.8	78%	0.783	81%	0.807	S	S	*	*			trans	-70.7	157.7	-175	-64.9	172.2	-178.1	174.6	0	112.5
491	P	30.2	Very low	30.3	Very low	125 Å²	125	146.1 Å²	146.1	81%	0.812	81%	0.811	S	S	*	*			trans	-62.5	139.1	165.7	29	-35.2	0	0	0	110.4
492	N	31.8	Very low	30.5	Very low	156 Å²	156	144.4 Å²	144.4	83%	0.834	80%	0.802	S	S	*	*			trans	-107.1	136.6	162.9	-87.9	-14.9	0	0	0	108.3
493	D	27	Very low	30.7	Very low	151 Å²	151	141.4 Å²	141.4	81%	0.807	79%	0.794	S	S	*	*			trans	-67.4	139.1	179.9	-58.7	-74.7	0	0	0	112.6
494	L	29.4	Very low	30.7	Very low	174 Å²	174	143.2 Å²	143.2	91%	0.911	80%	0.803	S	S	*	*			trans	-132	78.8	161.9	-102.6	168.1	0	0	0	109.4
495	L	25.2	Very low	31	Very low	153 Å²	153	135.8 Å²	135.8	80%	0.801	79%	0.788	S	S	*	*			trans	-67.7	134.1	169	-83	159.8	0	0	0	110.9
496	C	29.5	Very low	31.2	Very low	121 Å²	121	137.3 Å²	137.3	82%	0.818	79%	0.79	S	S	*	*			trans	-133.8	147.4	147.3	-85.6	0	0	0	0	109.7
497	P	30.9	Very low	31.5	Very low	102 Å²	102	137.6 Å²	137.6	66%	0.662	78%	0.784	S	S	*	*			trans	-110	170.3	-158.4	41	-34.2	0	0	0	114.4
498	N	34.1	Very low	31.9	Very low	154 Å²	154	136.1 Å²	136.1	82%	0.824	79%	0.786	S	S	*	*				-173.5	147.3	116.5	-89.9	-25.1	0	0	0	112.5
499	D	28.9	Very low	32.1	Very low	154 Å²	154	134.5 Å²	134.5	82%	0.824	78%	0.779	S	S	*	*			trans	-80.9	155.3	-173.3	-49	-100.6	0	0	0	114.8
500	A	32.3	Very low	32.3	Very low	103 Å²	103	133.7 Å²	133.7	85%	0.851	78%	0.775	S	S	*	*				-173.9	130.5	126.7	0	0	0	0	0	113.6
501	H	32.4	Very low	32.5	Very low	187 Å²	187	131.2 Å²	131.2	87%	0.866	77%	0.769	S	S	*	*			trans	-153.1	176.4	171.9	-129.1	2	0	0	0	106.3
502	P	36.6	Very low	32.7	Very low	98 Å²	98	132.8 Å²	132.8	64%	0.636	77%	0.765	S	S	*	*			cis	-140.1	-163.5	-6.6	38.6	-17	0	0	0	114.7
503	S	33.3	Very low	32.7	Very low	99 Å²	99	131.2 Å²	131.2	69%	0.692	76%	0.757	S	S	*	*			trans	96.7	113.8	136.5	67.9	0	0	0	0	124.9
504	V	33.1	Very low	32.9	Very low	149 Å²	149	130.8 Å²	130.8	90%	0.903	75%	0.754	S	S	*	*				70.5	131.1	122.8	-178.4	0	0	0	0	122.9
505	G	36.1	Very low	33	Very low	63 Å²	63	126.8 Å²	126.8	65%	0.649	74%	0.741	S	S	*	*			trans	152.2	102	163.5	0	0	0	0	0	110.2
506	E	35.3	Very low	33.2	Very low	175 Å²	175	126.6 Å²	126.6	82%	0.818	74%	0.741	S	S	*	*				56.4	134.6	90.5	-71.7	-157.1	-156.9	0	0	114.4
507	N	36	Very low	33.2	Very low	125 Å²	125	126.7 Å²	126.7	67%	0.668	74%	0.738	S	S	*	*			cis	-163.2	170	0.6	-127.5	-42.7	0	0	0	107.5
508	V	37.9	Very low	33.1	Very low	133 Å²	133	131.9 Å²	131.9	81%	0.806	75%	0.745	S	S	*	*			cis	-150.9	-127.9	9.9	61.7	0	0	0	0	111.7
509	A	34.6	Very low	32.9	Very low	69 Å²	69	130.4 Å²	130.4	57%	0.57	74%	0.738	S	S	*	*			trans	-110.1	-171.1	-169.5	0	0	0	0	0	113.1
510	D	34.5	Very low	32.9	Very low	137 Å²	137	128.9 Å²	128.9	73%	0.733	73%	0.73	S	S	*	*			cis	-166	158.6	26.9	-128.4	-24.4	0	0	0	115.7
511	I	34.6	Very low	32.7	Very low	128 Å²	128	130.2 Å²	130.2	66%	0.656	72%	0.723	S	S	*	*			trans	65.9	113	142.9	-78.7	161.3	0	0	0	124.6
512	E	33	Very low	32.7	Very low	158 Å²	158	128.6 Å²	128.6	74%	0.738	72%	0.72	S	S	*	*			trans	91.4	127.8	130.2	-79.2	-171.5	-150.5	0	0	128.5
513	N	33.4	Very low	32.3	Very low	122 Å²	122	132.7 Å²	132.7	65%	0.652	73%	0.728	S	S	*	*				68.8	94.7	130	-73.5	-36.9	0	0	0	125.6
514	N	30.3	Very low	32.2	Very low	142 Å²	142	137 Å²	137	76%	0.759	74%	0.737	S	S	*	*				71.9	123.5	108	-119.3	-19.8	0	0	0	124
515	S	31.6	Very low	31.9	Very low	90 Å²	90	136.8 Å²	136.8	63%	0.629	73%	0.731	S	S	*	*			trans	84.8	127.1	139.5	77.3	0	0	0	0	122.7
516	N	29.7	Very low	31.5	Very low	149 Å²	149	141 Å²	141	80%	0.797	74%	0.738	S	S	*	*			trans	49.9	125.9	146.7	-50.6	-24.9	0	0	0	119
517	T	29.9	Very low	31	Very low	123 Å²	123	141.2 Å²	141.2	76%	0.755	74%	0.74	S	S	*	*				-177.1	160.2	69.2	-60.5	0	0	0	0	110.6
518	Y	28.1	Very low	30.4	Very low	211 Å²	211	145 Å²	145	83%	0.827	75%	0.746	S	S	*	*			trans	-27.2	146.9	161.8	-64	-104	0	0	0	114.8
519	N	29.5	Very low	29.9	Very low	124 Å²	124	145.6 Å²	145.6	66%	0.663	74%	0.744	S	S	*	*				-172.2	153.2	57.4	-133	-18.2	0	0	0	115.4
520	N	30.1	Very low	29.6	Very low	122 Å²	122	150.1 Å²	150.1	65%	0.652	76%	0.757	S	S	*	*			trans	52.1	128.7	147	-76.7	-17.1	0	0	0	124.3
521	N	27.7	Very low	29.3	Very low	131 Å²	131	149.3 Å²	149.3	70%	0.701	76%	0.758	S	S	*	*			trans	65.2	103.8	137.1	-57.8	-18.3	0	0	0	119.9
522	N	31.9	Very low	29.2	Very low	153 Å²	153	150 Å²	150	82%	0.818	76%	0.763	S	S	*	*				-155	160.8	101.7	-108.8	-41.4	0	0	0	114.6
523	K	28.3	Very low	29.2	Very low	183 Å²	183	149.7 Å²	149.7	80%	0.796	76%	0.759	S	S	*	*			trans	-58.2	149.7	175.4	-53	153.5	178.3	174.3	0	111.6
524	E	31.6	Very low	29.1	Very low	189 Å²	189	148 Å²	148	88%	0.883	76%	0.762	S	S	*	*				-164.8	171.5	107.6	-109.6	169.7	-160.7	0	0	112.8
525	N	25.9	Very low	29.3	Very low	145 Å²	145	145.4 Å²	145.4	78%	0.775	75%	0.751	S	S	*	*			trans	-85.7	149	-166.2	-52.9	-63.1	0	0	0	112.9
526	N	28.5	Very low	29.4	Very low	151 Å²	151	147.4 Å²	147.4	81%	0.807	75%	0.754	S	S	*	*			trans	-156.5	124.8	139.6	-100.3	-48.9	0	0	0	110.3
527	Q	23.5	Very low	29.5	Very low	181 Å²	181	150.6 Å²	150.6	85%	0.846	75%	0.754	S	S	*	*			trans	-95.3	115.2	-179.9	-60.9	165.6	-88.2	0	0	109.9
528	Y	25	Very low	29.7	Very low	204 Å²	204	153.4 Å²	153.4	80%	0.8	76%	0.756	S	S	*	*			trans	-151.2	145.9	167.2	-79.5	-64.3	0	0	0	114.3
529	L	26.5	Very low	29.9	Very low	146 Å²	146	148.3 Å²	148.3	76%	0.764	74%	0.735	S	S	*	*	S	Bend	trans	68	117.3	164	-87.6	69.8	0	0	0	120.5
530	L	27.5	Very low	30	Very low	163 Å²	163	147.6 Å²	147.6	85%	0.853	74%	0.738	S	S	*	*			trans	32	87.2	149.7	-69	97.3	0	0	0	118.9
531	T	29.5	Very low	29.9	Very low	121 Å²	121	148 Å²	148	74%	0.742	75%	0.745	S	S	*	*			trans	-96.2	165.3	133	82.8	0	0	0	0	107.7
532	D	32.2	Very low	30.1	Very low	142 Å²	142	149.1 Å²	149.1	76%	0.759	75%	0.75	S	S	*	*			cis	-160.7	178.1	20.3	-127.8	-50	0	0	0	111.3
533	K	32.3	Very low	30	Very low	152 Å²	152	149.1 Å²	149.1	66%	0.661	75%	0.75	S	S	*	*			trans	84.8	36.3	166	-50.9	-175.6	-174.1	168.8	0	121.3	V535	K533-V535 HydrophobicContact CB-CG2 4.05Å; K533-V535 HydrophobicContact CG-CG2 4.5Å; K533-V535 PolarHBondContact O-N 3.47Å
534	A	31.4	Very low	30.1	Very low	87 Å²	87	145.3 Å²	145.3	72%	0.719	75%	0.746	S	S	*	*			trans	-74	81.5	144.2	0	0	0	0	0	109	I536	A534-I536 PolarHBondContact O-N 2.95Å
535	V	34.8	Very low	30	Very low	87 Å²	87	143.3 Å²	143.3	53%	0.527	74%	0.741	S	S	.	*			trans	-78.1	92.2	-172.7	-172.9	0	0	0	0	110.8	K533 R537	K533-V535 HydrophobicContact CB-CG2 4.05Å; K533-V535 HydrophobicContact CG-CG2 4.5Å; K533-V535 PolarHBondContact O-N 3.47Å; V535-R537 HydrophobicContact CG1-CG 4.25Å; V535-R537 PolarHBondContact O-N 3.27Å
536	I	33	Very low	30.1	Very low	132 Å²	132	143 Å²	143	68%	0.677	74%	0.739	S	S	*	*			trans	-62.2	91.5	-179.8	-53.5	177.1	0	0	0	111.2	F393 A534	F393-I536 HydrophobicContact CE1-CG2 3.91Å; A534-I536 PolarHBondContact O-N 2.95Å
537	R	32.5	Very low	30.1	Very low	216 Å²	216	141.1 Å²	141.1	82%	0.815	74%	0.738	S	S	*	*			trans	-97.3	113.7	170.6	-73.1	-177.3	171.5	173.9	-1.5	109.8	V535	V535-R537 HydrophobicContact CG1-CG 4.25Å; V535-R537 PolarHBondContact O-N 3.27Å
538	K	35	Very low	30.5	Very low	181 Å²	181	138.7 Å²	138.7	79%	0.787	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-63.6	136.6	171.7	-64.1	179.7	179.3	178.8	0	109.7
539	R	30.9	Very low	30.5	Very low	104 Å²	104	136.3 Å²	136.3	39%	0.392	74%	0.735	S	S	.	*	P	Polyproline II helix	trans	-55.6	126.7	173.3	-72.3	-179.9	174.5	-167.7	-10.1	110.1	H395 G396	H395-R539 PolarHBondContact O-NH1 2.96Å; G396-R539 PolarHBondContact O-NH1 2.73Å
540	P	31.5	Very low	30.9	Very low	110 Å²	110	139 Å²	139	71%	0.714	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-72.8	127.6	167.6	29.9	-32	0	0	0	109.4	L542	P540-L542 PolarHBondContact O-N 2.87Å
541	T	29.1	Very low	30.9	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	74%	0.736	S	S	*	*			trans	-76.9	114.3	172.9	50.3	0	0	0	0	109.9
542	L	32	Very low	31	Very low	155 Å²	155	136.6 Å²	136.6	81%	0.812	74%	0.74	S	S	*	*			trans	-122.5	114.8	175.4	-93.9	162.8	0	0	0	110.5	P540	P540-L542 PolarHBondContact O-N 2.87Å
543	N	28.7	Very low	31	Very low	153 Å²	153	139.8 Å²	139.8	82%	0.818	75%	0.747	S	S	*	*			trans	-88.5	160.2	165.7	-78.6	-21.8	0	0	0	110.1
544	S	30.9	Very low	30.7	Very low	103 Å²	103	138.6 Å²	138.6	72%	0.72	75%	0.752	S	S	*	*			trans	58.8	102.7	163.6	57.7	0	0	0	0	119.1
545	L	30.1	Very low	30.5	Very low	147 Å²	147	142.6 Å²	142.6	77%	0.77	76%	0.76	S	S	*	*				68.9	122	123.4	-69.7	144.1	0	0	0	121.2
546	D	27.4	Very low	30.1	Very low	139 Å²	139	144.9 Å²	144.9	74%	0.743	77%	0.768	S	S	*	*			trans	77.8	132	135.4	-62.3	-12.3	0	0	0	123.9
547	S	29.3	Very low	30	Very low	111 Å²	111	145.6 Å²	145.6	78%	0.776	77%	0.772	S	S	*	*			trans	104.3	108.5	141.2	75.6	0	0	0	0	121.1
548	V	30.8	Very low	29.9	Very low	130 Å²	130	141.3 Å²	141.3	79%	0.788	77%	0.77	S	S	*	*			trans	73.1	99.7	133.6	-175.9	0	0	0	0	120.2
549	L	26.1	Very low	29.6	Very low	154 Å²	154	138.1 Å²	138.1	81%	0.806	77%	0.77	S	S	*	*				28.1	115.2	127.9	-65	158.1	0	0	0	119.8
550	K	33	Very low	29.7	Very low	201 Å²	201	141 Å²	141	87%	0.874	79%	0.794	S	S	*	*				180	131.5	113.4	-98.2	158.5	-176.1	173.4	0	115.7
551	S	28.3	Very low	29.8	Very low	107 Å²	107	144.9 Å²	144.9	75%	0.748	80%	0.802	S	S	*	*			trans	13.3	140.8	152.7	58.8	0	0	0	0	122.7
552	P	32.6	Very low	29.9	Very low	127 Å²	127	148.5 Å²	148.5	83%	0.825	81%	0.807	S	S	*	*			trans	-88.5	174.9	-170.7	38.3	-39.6	0	0	0	116.2
553	K	31.3	Very low	30	Very low	210 Å²	210	147.7 Å²	147.7	91%	0.913	81%	0.808	S	S	*	*			trans	-135.9	146.3	162.2	-79.1	-172.4	175.6	-179.7	0	111.7
554	V	25.7	Very low	30.1	Very low	126 Å²	126	147.5 Å²	147.5	76%	0.764	81%	0.805	S	S	*	*			trans	-91.2	149.5	178.2	174.3	0	0	0	0	111	I556	V554-I556 HydrophobicContact CG1-CG1 4.21Å
555	L	28.4	Very low	30.4	Very low	171 Å²	171	149.7 Å²	149.7	90%	0.895	81%	0.809	S	S	*	*			trans	-146.3	155.3	157.7	-122.2	131.9	0	0	0	111.1
556	I	26.2	Very low	30.7	Very low	135 Å²	135	148.4 Å²	148.4	69%	0.692	80%	0.803	S	S	*	*			trans	-128.4	-177.8	-169.4	-52.2	169.6	0	0	0	107.5	V554	V554-I556 HydrophobicContact CG1-CG1 4.21Å
557	I	29.9	Very low	31.1	Very low	147 Å²	147	148.9 Å²	148.9	75%	0.754	80%	0.801	S	S	*	*			trans	88.2	129.8	164	-58.2	169.1	0	0	0	114.2
558	T	30.9	Very low	31.5	Very low	126 Å²	126	149.7 Å²	149.7	77%	0.773	80%	0.796	S	S	*	*			cis	-155.4	164.3	-15.5	22.5	0	0	0	0	109.4
559	S	29.1	Very low	31.7	Very low	114 Å²	114	152 Å²	152	80%	0.797	80%	0.798	S	S	*	*			trans	-73.3	158.5	164.9	42.6	0	0	0	0	113
560	N	31.5	Very low	32.4	Very low	166 Å²	166	149.9 Å²	149.9	89%	0.888	80%	0.797	S	S	*	*			trans	-124.1	124.6	172.2	-104.6	-24.9	0	0	0	108.5
561	E	33.5	Very low	32.8	Very low	190 Å²	190	153.8 Å²	153.8	89%	0.888	81%	0.814	S	S	*	*			trans	-129.4	137.9	161.2	-74	-168	133.1	0	0	109.6
562	K	33	Very low	33.1	Very low	207 Å²	207	156.2 Å²	156.2	90%	0.9	82%	0.817	S	S	*	*			trans	-105.7	124.3	167.5	-75.9	-176.3	174.9	-177	0	107.9
563	V	33.3	Very low	33.1	Very low	137 Å²	137	157.7 Å²	157.7	83%	0.83	82%	0.817	S	S	*	*			trans	-102	134.7	160.3	178.6	0	0	0	0	107.8
564	I	31.7	Very low	33.2	Very low	149 Å²	149	154.8 Å²	154.8	76%	0.764	81%	0.811	S	S	*	*			trans	-99.6	130.5	173.1	-64.5	170.8	0	0	0	107.3
565	N	36.4	Very low	33.6	Very low	150 Å²	150	156.5 Å²	156.5	80%	0.802	81%	0.814	S	S	*	*			trans	177.2	153.4	153.8	-92.4	-10.5	0	0	0	108.4
566	D	36.1	Very low	33.9	Very low	120 Å²	120	155.6 Å²	155.6	64%	0.642	81%	0.809	S	S	*	*			cis	-161	163.3	-35.2	-169.8	21.1	0	0	0	107.6
567	Q	36.2	Very low	34.5	Very low	148 Å²	148	156.9 Å²	156.9	69%	0.692	82%	0.817	S	S	*	*			trans	74.6	143.6	161.8	-45	-163.1	-3.4	0	0	121.9
568	N	36.9	Very low	34.8	Very low	129 Å²	129	157.6 Å²	157.6	69%	0.69	82%	0.821	S	S	*	*			trans	89.7	105.4	145.9	-66.4	-13.4	0	0	0	122.8
569	E	34.8	Very low	35.1	Very low	177 Å²	177	160.1 Å²	160.1	83%	0.827	83%	0.825	S	S	*	*			trans	95.7	128.9	130.2	-69	-173.5	156.1	0	0	122.2
570	S	41	Very low	35.6	Very low	111 Å²	111	163.9 Å²	163.9	78%	0.776	83%	0.827	S	S	*	*			trans	81.4	68.7	147.9	73	0	0	0	0	120.9
571	K	42.7	Very low	36	Very low	283 Å²	283	163.7 Å²	163.7	100%	1.23	82%	0.822	S	S	*	*				-173.6	0	102.2	-102	173.4	-178.2	176.9	0	114.1

Retrieved 571 of 571 residues in 481.5 ms (Link to these results)

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