A0A087XNM5_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XNM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 431 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	37.2	Very low	35.8	Very low	237 Å²	237	144 Å²	144	100%	1.167	86%	0.857	S	S	*	*				0	134.7	0	-67.1	179.5	178.2	0	0	108.6
2	P	34.3	Very low	35.7	Very low	120 Å²	120	152.6 Å²	152.6	78%	0.779	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-72.4	150.9	173.3	30.8	-33.8	0	0	0	111.2
3	P	33.2	Very low	35.6	Very low	127 Å²	127	147.1 Å²	147.1	83%	0.825	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-71.4	144.6	-175.6	28.3	-34.4	0	0	0	112.7	A5	P3-A5 PolarHBondContact O-N 3.34Å
4	K	36.3	Very low	36.2	Very low	206 Å²	206	145.3 Å²	145.3	90%	0.896	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-62	126.8	178.6	-70.2	178.7	177.3	176.3	0	110.9	K6	K4-K6 PolarHBondContact O-N 3.13Å
5	A	36.4	Very low	37	Very low	100 Å²	100	141.7 Å²	141.7	83%	0.826	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-63.3	128.6	175.8	0	0	0	0	0	111.2	P3	P3-A5 PolarHBondContact O-N 3.34Å
6	K	36.3	Very low	38.2	Very low	199 Å²	199	145.9 Å²	145.9	87%	0.865	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-68.4	134.2	170.6	-74.4	-176.1	176.4	179.3	0	109.5	K4 V8	K4-K6 PolarHBondContact O-N 3.13Å; K6-V8 PolarHBondContact O-N 3.14Å
7	A	35	Very low	39.7	Very low	103 Å²	103	146.4 Å²	146.4	85%	0.851	83%	0.828	S	S	*	*			trans	-63.3	116	177.4	0	0	0	0	0	110.5	G9	A7-G9 PolarHBondContact O-N 3.22Å
8	V	38.4	Very low	41.2	Very low	142 Å²	142	145.2 Å²	145.2	86%	0.861	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-71.1	125.3	172.8	-179.8	0	0	0	0	108.3	K6 K10	K6-V8 PolarHBondContact O-N 3.14Å; V8-K10 PolarHBondContact O-N 3.07Å
9	G	33	Very low	42.8	Very low	67 Å²	67	142.6 Å²	142.6	69%	0.691	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-57.7	132.3	-176.8	0	0	0	0	0	112.2	A7 G11	A7-G9 PolarHBondContact O-N 3.22Å; G9-G11 PolarHBondContact O-N 3Å; G9-G11 VanDerWaalsContact O-N 3.09Å
10	K	37.5	Very low	44.3	Very low	210 Å²	210	135.9 Å²	135.9	91%	0.913	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-56.9	116	172.3	-73.7	177.8	176.4	175.6	0	108.9	V8 R12	V8-K10 PolarHBondContact O-N 3.07Å; K10-R12 PolarHBondContact O-N 3.3Å
11	G	36.3	Very low	46.2	Very low	73 Å²	73	132.7 Å²	132.7	75%	0.753	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-53.7	130.1	170.2	0	0	0	0	0	109.8	G9 A13	G9-G11 PolarHBondContact O-N 3Å; G9-G11 VanDerWaalsContact O-N 3.09Å; G11-A13 PolarHBondContact O-N 3.26Å; G11-A13 VanDerWaalsContact O-N 3.16Å
12	R	34.2	Very low	48.7	Very low	247 Å²	247	125.8 Å²	125.8	93%	0.932	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-58.7	120.7	179.2	-127	176.4	-178.7	174.5	-0.2	108.1	K10	K10-R12 PolarHBondContact O-N 3.3Å
13	A	34.9	Very low	51.4	Low	81 Å²	81	120.4 Å²	120.4	67%	0.669	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-55.8	143.5	167.4	0	0	0	0	0	108.7	G11 A15	G11-A13 PolarHBondContact O-N 3.26Å; G11-A13 VanDerWaalsContact O-N 3.16Å; A13-A15 PolarHBondContact O-N 2.83Å
14	P	43.8	Very low	54.3	Low	122 Å²	122	117.6 Å²	117.6	79%	0.792	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-54.7	135.7	174.6	23.6	-33	0	0	0	109	K16	P14-K16 PolarHBondContact O-N 3.24Å
15	A	48.9	Very low	57	Low	92 Å²	92	111.9 Å²	111.9	76%	0.76	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-54.8	132.1	-178.2	0	0	0	0	0	109.7	A13 R17	A13-A15 PolarHBondContact O-N 2.83Å; A15-R17 PolarHBondContact O-N 2.89Å
16	K	55.4	Low	59.9	Low	209 Å²	209	109.1 Å²	109.1	91%	0.909	62%	0.615	S	S	*	*			trans	-56.2	114.2	174.8	-74.5	-174.2	175.4	-176.9	0	107.9	P14 K18	P14-K16 PolarHBondContact O-N 3.24Å; K16-K18 PolarHBondContact O-N 3.28Å
17	R	64	Low	62.7	Low	154 Å²	154	102.2 Å²	102.2	58%	0.581	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-58.2	137.6	179.6	-66.1	-180	-178.1	165.1	0.5	108.9	A15	A15-R17 PolarHBondContact O-N 2.89Å
18	K	66.1	Low	65.7	Low	125 Å²	125	99.6 Å²	99.6	54%	0.543	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-74.1	135.5	179.7	-62	168	-168.6	151.8	0	108.3	K16 P74 E76 N77	K16-K18 PolarHBondContact O-N 3.28Å; K18-P74 HydrophobicContact CB-CG 4.31Å; K18-E76 IonicContact NZ-OE1 3.71Å; K18-E76 IonicContact NZ-OE2 2.84Å; K18-E76 PolarHBondContact NZ-OE2 3.08Å; K18-N77 PolarHBondContact O-ND2 3.41Å
19	L	71.5	Confident	68.6	Low	95 Å²	95	92.9 Å²	92.9	50%	0.497	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-75.3	153	166.1	-74.6	167.6	0	0	0	109.4
20	A	73.7	Confident	71.7	Confident	8 Å²	8	93.1 Å²	93.1	7%	0.066	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-62.9	149.9	169.9	0	0	0	0	0	110.8	L50 Y126	A20-L50 HydrophobicContact CB-CB 4.48Å; A20-L50 HydrophobicContact CB-CD1 3.73Å; A20-L50 HydrophobicContact CB-CG 4.05Å; A20-Y126 HydrophobicContact CB-CD1 4.37Å; A20-Y126 HydrophobicContact CB-CE1 4.17Å
21	E	84.4	Confident	74.5	Confident	70 Å²	70	83.6 Å²	83.6	33%	0.327	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-81	152.6	165.4	-70.6	-173.8	-174.8	0	0	109.8	F23 L50 K121 K124 Y126	E21-F23 WeakPolarHBondContact O-CD2 3.49Å; E21-L50 VanDerWaalsContact O-CD1 3.26Å; E21-L50 WeakPolarHBondContact O-CD1 3.35Å; E21-K121 IonicContact OE2-NZ 3.58Å; E21-K121 PolarHBondContact OE2-NZ 3.43Å; E21-K124 IonicContact OE1-NZ 3.4Å; E21-K124 PolarHBondContact OE1-NZ 2.98Å; E21-Y126 WeakPolarHBondContact CG-OH 3.36Å
22	E	88.6	Confident	77.4	Confident	92 Å²	92	85.4 Å²	85.4	43%	0.43	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-72.4	136.7	174	-74.5	166.5	-143.5	0	0	110.7	K45 L50 Y52 K121	E22-K45 IonicContact OE1-NZ 3.59Å; E22-K45 PolarHBondContact OE1-NZ 3.06Å; E22-L50 HydrophobicContact CB-CD1 4.4Å; E22-L50 HydrophobicContact CG-CD1 3.61Å; E22-L50 HydrophobicContact CG-CD2 4.17Å; E22-Y52 WeakPolarHBondContact CA-OH 3.4Å; E22-K121 PolarHBondContact O-NZ 3.31Å
23	F	91.8	Very high	80.4	Confident	7 Å²	7	76.3 Å²	76.3	3%	0.031	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-99.1	143.2	173.8	-68	-90.7	0	0	0	108.8	E21 E27 L39 Y52 V72 H119 K121 Y126	E21-F23 WeakPolarHBondContact O-CD2 3.49Å; F23-E27 HydrophobicContact CB-CG 4.48Å; F23-E27 HydrophobicContact CD1-CG 4.08Å; F23-L39 HydrophobicContact CB-CD1 3.63Å; F23-L39 HydrophobicContact CG-CD1 4.13Å; F23-Y52 HydrophobicContact CB-CE1 4.23Å; F23-Y52 HydrophobicContact CD2-CE2 4.24Å; F23-Y52 PolarHBondContact N-OH 2.68Å; F23-V72 HydrophobicContact CE2-CG1 3.77Å; F23-V72 HydrophobicContact CZ-CG1 4.4Å; F23-H119 AromaticContact CE1-CD2 3.55Å; F23-K121 HydrophobicContact CD1-CD 4.05Å; F23-K121 HydrophobicContact CE1-CB 3.91Å; F23-K121 HydrophobicContact CE1-CD 3.7Å; F23-K121 HydrophobicContact CE1-CG 4.16Å; F23-K121 HydrophobicContact CZ-CB 4.42Å; F23-K121 HydrophobicContact CZ-CD 4.24Å; F23-Y126 HydrophobicContact CE2-CD1 4.28Å; F23-Y126 HydrophobicContact CE2-CG 4.3Å; F23-Y126 HydrophobicContact CZ-CD1 4.19Å; F23-Y126 AromaticContact CZ-CD2 3.7Å; F23-Y126 HydrophobicContact CZ-CD2 3.7Å; F23-Y126 HydrophobicContact CZ-CE1 4.45Å; F23-Y126 HydrophobicContact CZ-CE2 4Å; F23-Y126 AromaticContact CZ-CG 3.8Å; F23-Y126 HydrophobicContact CZ-CG 3.8Å
24	P	93	Very high	83.3	Confident	68 Å²	68	81.1 Å²	81.1	44%	0.442	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-68.6	142.5	176.8	29.5	-33.4	0	0	0	110.6	G26 E27	P24-G26 PolarHBondContact O-N 3.16Å; P24-E27 HydrophobicContact CG-CB 4.36Å; P24-E27 VanDerWaalsContact O-CB 3.26Å; P24-E27 WeakPolarHBondContact O-CB 3.2Å; P24-E27 PolarHBondContact O-N 2.85Å; P24-E27 VanDerWaalsContact O-N 3.17Å
25	P	94.8	Very high	85.9	Confident	86 Å²	86	80.5 Å²	80.5	56%	0.558	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	135.9	165.8	-24	34.7	0	0	0	110.4
26	G	95.6	Very high	88.2	Confident	42 Å²	42	78.2 Å²	78.2	43%	0.433	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.9	-16	-172.9	0	0	0	0	0	114.8	P24 L39	P24-G26 PolarHBondContact O-N 3.16Å; G26-L39 PolarHBondContact N-O 3.46Å
27	E	96.8	Very high	90.3	Very high	53 Å²	53	68.3 Å²	68.3	25%	0.248	37%	0.371	C	S	.	.			trans	-54.2	136.6	171.4	-175.1	82.5	171.4	0	0	110.8	F23 P24 L29 L39 H119	F23-E27 HydrophobicContact CB-CG 4.48Å; F23-E27 HydrophobicContact CD1-CG 4.08Å; P24-E27 HydrophobicContact CG-CB 4.36Å; P24-E27 VanDerWaalsContact O-CB 3.26Å; P24-E27 WeakPolarHBondContact O-CB 3.2Å; P24-E27 PolarHBondContact O-N 2.85Å; P24-E27 VanDerWaalsContact O-N 3.17Å; E27-L29 HydrophobicContact CB-CD1 4.42Å; E27-L29 HydrophobicContact CG-CD1 3.58Å; E27-L39 HydrophobicContact CB-CB 4.41Å; E27-L39 HydrophobicContact CB-CD1 4.11Å; E27-L39 HydrophobicContact CB-CG 4.35Å; E27-L39 HydrophobicContact CG-CD1 4.36Å; E27-L39 PolarHBondContact O-N 3.04Å; E27-H119 IonicContact OE1-CD2 2.67Å; E27-H119 IonicContact OE1-CE1 3.37Å; E27-H119 IonicContact OE1-NE2 3.92Å; E27-H119 PolarHBondContact OE1-NE2 3.44Å
28	V	97.6	Very high	91.9	Very high	49 Å²	49	62.2 Å²	62.2	30%	0.297	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.5	-179.6	-178.8	0	0	0	0	110.7	W37 K38 N57	V28-W37 CarbonylContact C-O 3.52Å; V28-W37 WeakPolarHBondContact CA-O 3.39Å; V28-K38 HydrophobicContact CG2-CG 4.5Å; V28-N57 HydrophobicContact CG1-CB 4.31Å
29	L	97.7	Very high	93.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	126.2	178.9	-83.1	56.4	0	0	0	108.8	E27 W37 L39 I70 H119 F128	E27-L29 HydrophobicContact CB-CD1 4.42Å; E27-L29 HydrophobicContact CG-CD1 3.58Å; L29-W37 PolarHBondContact N-O 3.37Å; L29-W37 PolarHBondContact O-N 3.38Å; L29-L39 HydrophobicContact CD1-CD1 3.9Å; L29-L39 HydrophobicContact CD1-CG 4Å; L29-L39 HydrophobicContact CD2-CD1 4.34Å; L29-L39 HydrophobicContact CD2-CD2 4.21Å; L29-L39 HydrophobicContact CD2-CG 4.48Å; L29-I70 HydrophobicContact CD2-CG2 4.1Å; L29-H119 HydrophobicContact CG-CB 4.18Å; L29-F128 HydrophobicContact CB-CD1 4.37Å; L29-F128 HydrophobicContact CB-CE1 3.95Å; L29-F128 HydrophobicContact CB-CE2 4.16Å; L29-F128 HydrophobicContact CB-CZ 3.84Å; L29-F128 HydrophobicContact CD2-CB 4.02Å; L29-F128 HydrophobicContact CD2-CD1 3.86Å; L29-F128 HydrophobicContact CD2-CD2 4.12Å; L29-F128 HydrophobicContact CD2-CE1 4.3Å; L29-F128 HydrophobicContact CD2-CG 3.75Å; L29-F128 HydrophobicContact CG-CD1 4.28Å; L29-F128 HydrophobicContact CG-CE1 4.28Å
30	T	98.1	Very high	94.7	Very high	72 Å²	72	51.9 Å²	51.9	44%	0.442	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.1	177.7	-58.8	0	0	0	0	110.2	K35 S36 F128	T30-K35 WeakPolarHBondContact CA-O 3.08Å; T30-S36 PolarHBondContact OG1-OG 3.08Å; T30-F128 WeakPolarHBondContact O-CZ 3.16Å
31	D	97.8	Very high	95.7	Very high	11 Å²	11	53.8 Å²	53.8	6%	0.059	32%	0.315	C	S	.	.			trans	-83.2	171.6	-177.8	75.7	19.5	0	0	0	113.2	G33 K34 K35 W37 S116 F128	D31-G33 PolarHBondContact O-N 3.29Å; D31-G33 WeakPolarHBondContact OD1-CA 3.38Å; D31-G33 PolarHBondContact OD1-N 3.42Å; D31-K34 PolarHBondContact O-N 3.36Å; D31-K34 PolarHBondContact OD1-N 3.47Å; D31-K34 VanDerWaalsContact OD1-N 3.07Å; D31-K35 PolarHBondContact N-O 3.01Å; D31-K35 PolarHBondContact OD1-N 2.93Å; D31-W37 PolarHBondContact OD2-NE1 3.31Å; D31-S116 WeakPolarHBondContact CB-O 3.35Å; D31-F128 HydrophobicContact CB-CE2 4.17Å; D31-F128 HydrophobicContact CB-CZ 4.01Å
32	T	96.9	Very high	96.2	Very high	111 Å²	111	52.2 Å²	52.2	68%	0.681	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.5	178.1	48.4	0	0	0	0	113.7	K34 S116	T32-K34 VanDerWaalsContact C-N 3.31Å; T32-S116 PolarHBondContact N-O 3.39Å; T32-S116 PolarHBondContact OG1-O 3Å
33	G	96.2	Very high	96.4	Very high	55 Å²	55	50.8 Å²	50.8	57%	0.567	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	9.6	171.4	0	0	0	0	0	114.1	D31 K35	D31-G33 PolarHBondContact O-N 3.29Å; D31-G33 WeakPolarHBondContact OD1-CA 3.38Å; D31-G33 PolarHBondContact OD1-N 3.42Å; G33-K35 PolarHBondContact O-N 3.49Å
34	K	97.1	Very high	96.1	Very high	183 Å²	183	50.5 Å²	50.5	80%	0.796	31%	0.305	S	S	*	.	S	Bend	trans	63.5	14.9	-176.4	-52.6	179.9	-179.6	178.9	0	114.8	D31 T32	D31-K34 PolarHBondContact O-N 3.36Å; D31-K34 PolarHBondContact OD1-N 3.47Å; D31-K34 VanDerWaalsContact OD1-N 3.07Å; T32-K34 VanDerWaalsContact C-N 3.31Å
35	K	97.8	Very high	95.4	Very high	108 Å²	108	50 Å²	50	47%	0.47	30%	0.296	S	S	.	.			trans	-80.9	135.4	171.2	-59	176.6	-178.3	174.4	0	109.4	T30 D31 G33 W37	T30-K35 WeakPolarHBondContact CA-O 3.08Å; D31-K35 PolarHBondContact N-O 3.01Å; D31-K35 PolarHBondContact OD1-N 2.93Å; G33-K35 PolarHBondContact O-N 3.49Å; K35-W37 HydrophobicContact CB-CZ2 4.44Å; K35-W37 HydrophobicContact CD-CZ2 4.1Å
36	S	98	Very high	94	Very high	45 Å²	45	46.8 Å²	46.8	32%	0.315	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.4	175.8	-60.2	0	0	0	0	110.4	T30 N57	T30-S36 PolarHBondContact OG1-OG 3.08Å; S36-N57 WeakPolarHBondContact O-CB 3.31Å; S36-N57 PolarHBondContact O-N 3.43Å
37	W	98.4	Very high	92.3	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.8	-178.6	-57	92	0	0	0	109.3	V28 L29 D31 K35 D55 Q56 Y68 I70 W114 V130	V28-W37 CarbonylContact C-O 3.52Å; V28-W37 WeakPolarHBondContact CA-O 3.39Å; L29-W37 PolarHBondContact N-O 3.37Å; L29-W37 PolarHBondContact O-N 3.38Å; D31-W37 PolarHBondContact OD2-NE1 3.31Å; K35-W37 HydrophobicContact CB-CZ2 4.44Å; K35-W37 HydrophobicContact CD-CZ2 4.1Å; W37-D55 CarbonylContact C-O 3.55Å; W37-D55 WeakPolarHBondContact CA-O 3.18Å; W37-Q56 HydrophobicContact CE3-CG 4.11Å; W37-Q56 HydrophobicContact CH2-CG 4.24Å; W37-Q56 HydrophobicContact CZ3-CG 3.69Å; W37-Y68 HydrophobicContact CE3-CD2 4.31Å; W37-Y68 HydrophobicContact CH2-CE2 4.41Å; W37-Y68 AromaticContact CZ3-CD2 3.61Å; W37-Y68 HydrophobicContact CZ3-CD2 3.61Å; W37-Y68 AromaticContact CZ3-CE2 3.7Å; W37-Y68 HydrophobicContact CZ3-CE2 3.7Å; W37-Y68 HydrophobicContact CZ3-CG 4.19Å; W37-I70 HydrophobicContact CB-CD1 3.65Å; W37-I70 HydrophobicContact CG-CD1 4.29Å; W37-W114 HydrophobicContact CH2-CB 3.82Å; W37-W114 HydrophobicContact CZ2-CB 4.07Å; W37-V130 HydrophobicContact CD2-CG1 4.01Å; W37-V130 HydrophobicContact CD2-CG2 3.87Å; W37-V130 HydrophobicContact CE3-CG1 3.85Å; W37-V130 HydrophobicContact CG-CG2 3.94Å; W37-V130 HydrophobicContact CH2-CG1 4Å; W37-V130 HydrophobicContact CZ2-CB 4.46Å; W37-V130 HydrophobicContact CZ2-CG1 4.15Å; W37-V130 HydrophobicContact CZ2-CG2 4.34Å; W37-V130 HydrophobicContact CZ3-CG1 3.85Å
38	K	98.4	Very high	90.7	Very high	26 Å²	26	46.3 Å²	46.3	11%	0.113	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.5	176.8	-173.3	-179.3	-70.6	-174.8	0	109.9	V28 A54 D55 N57 S58 K60 V62	V28-K38 HydrophobicContact CG2-CG 4.5Å; K38-A54 WeakPolarHBondContact O-CA 3.4Å; K38-D55 PolarHBondContact N-O 3.38Å; K38-D55 PolarHBondContact O-N 2.92Å; K38-N57 VanDerWaalsContact CE-OD1 3.28Å; K38-N57 WeakPolarHBondContact CE-OD1 3.36Å; K38-S58 VanDerWaalsContact CE-O 3.26Å; K38-S58 WeakPolarHBondContact CE-O 3.47Å; K38-S58 PolarHBondContact NZ-O 3.49Å; K38-K60 PolarHBondContact NZ-O 3.37Å; K38-V62 HydrophobicContact CB-CG2 3.85Å; K38-V62 HydrophobicContact CD-CG2 3.95Å; K38-V62 HydrophobicContact CG-CG2 3.8Å; K38-V62 WeakPolarHBondContact O-CG2 3.41Å
39	L	98.1	Very high	89.9	Confident	1 Å²	1	44 Å²	44	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	139.7	172	-61.9	-171.2	0	0	0	111.7	F23 G26 E27 L29 Y52 I70	F23-L39 HydrophobicContact CB-CD1 3.63Å; F23-L39 HydrophobicContact CG-CD1 4.13Å; G26-L39 PolarHBondContact N-O 3.46Å; E27-L39 HydrophobicContact CB-CB 4.41Å; E27-L39 HydrophobicContact CB-CD1 4.11Å; E27-L39 HydrophobicContact CB-CG 4.35Å; E27-L39 HydrophobicContact CG-CD1 4.36Å; E27-L39 PolarHBondContact O-N 3.04Å; L29-L39 HydrophobicContact CD1-CD1 3.9Å; L29-L39 HydrophobicContact CD1-CG 4Å; L29-L39 HydrophobicContact CD2-CD1 4.34Å; L29-L39 HydrophobicContact CD2-CD2 4.21Å; L29-L39 HydrophobicContact CD2-CG 4.48Å; L39-Y52 HydrophobicContact CD1-CD1 4.27Å; L39-Y52 HydrophobicContact CD1-CD2 4.32Å; L39-Y52 HydrophobicContact CD1-CE1 4.49Å; L39-Y52 HydrophobicContact CD1-CG 4.19Å; L39-Y52 HydrophobicContact CD2-CD2 4.47Å; L39-Y52 HydrophobicContact CD2-CG 4.21Å; L39-I70 HydrophobicContact CD2-CB 3.88Å; L39-I70 HydrophobicContact CD2-CD1 3.73Å; L39-I70 HydrophobicContact CD2-CG1 4.37Å; L39-I70 HydrophobicContact CD2-CG2 3.96Å
40	G	97.7	Very high	89.6	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-152.5	167.3	0	0	0	0	0	112.3	L53	G40-L53 PolarHBondContact N-O 3.42Å
41	A	96	Very high	89.3	Confident	47 Å²	47	42.2 Å²	42.2	39%	0.388	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	143.5	175.5	0	0	0	0	0	111.7	L53	A41-L53 HydrophobicContact CB-CD1 4.46Å; A41-L53 PolarHBondContact O-N 3.12Å
42	P	94.8	Very high	89.3	Confident	38 Å²	38	41.7 Å²	41.7	25%	0.247	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	134.7	167.4	30.4	-34.7	0	0	0	109.7	L51 Y52 L408	P42-L51 WeakPolarHBondContact CA-O 3.33Å; P42-Y52 HydrophobicContact CB-CD1 3.95Å; P42-Y52 HydrophobicContact CB-CE1 3.87Å; P42-L408 HydrophobicContact CB-CD2 3.77Å; P42-L408 HydrophobicContact CG-CD2 3.95Å; P42-L408 WeakPolarHBondContact O-CD2 3.31Å
43	I	92.2	Very high	89.3	Confident	61 Å²	61	36.9 Å²	36.9	31%	0.313	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-21.7	-174.3	50	166	0	0	0	113.6	L51 L53 V69	I43-L51 HydrophobicContact CG1-CB 4.1Å; I43-L51 WeakPolarHBondContact CG1-O 3.43Å; I43-L51 PolarHBondContact N-O 3.23Å; I43-L53 HydrophobicContact CD1-CD2 4.16Å; I43-L53 HydrophobicContact CG2-CD1 4.05Å; I43-L53 HydrophobicContact CG2-CD2 3.97Å; I43-L53 HydrophobicContact CG2-CG 3.63Å; I43-V69 HydrophobicContact CD1-CG1 3.57Å
44	G	84.8	Confident	89.4	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	146.2	-177.8	0	0	0	0	0	112.2	L51 V409	G44-L51 PolarHBondContact N-O 2.84Å; G44-L51 PolarHBondContact O-N 3.5Å; G44-V409 WeakPolarHBondContact CA-O 3.49Å
45	K	77.9	Confident	89.5	Confident	59 Å²	59	28.2 Å²	28.2	26%	0.257	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.4	169.7	-167.9	163	-168.3	160.5	0	107.3	E22 L50 V409 M411	E22-K45 IonicContact OE1-NZ 3.59Å; E22-K45 PolarHBondContact OE1-NZ 3.06Å; K45-L50 HydrophobicContact CB-CD2 4.14Å; K45-L50 HydrophobicContact CD-CD2 3.93Å; K45-L50 HydrophobicContact CG-CD2 3.79Å; K45-V409 PolarHBondContact N-O 2.76Å; K45-M411 PolarHBondContact O-N 3.17Å; K45-M411 VanDerWaalsContact O-N 3.08Å
46	G	65.4	Low	89.5	Confident	18 Å²	18	28.2 Å²	28.2	19%	0.186	17%	0.168	C	C	.	.			trans	-99.3	177.7	173.6	0	0	0	0	0	110.8	F48 G49	G46-F48 PolarHBondContact O-N 2.91Å; G46-F48 VanDerWaalsContact O-N 3.07Å; G46-G49 PolarHBondContact N-O 3.02Å
47	G	60.8	Low	89.4	Confident	41 Å²	41	29.8 Å²	29.8	42%	0.423	17%	0.172	S	C	.	.	S	Bend	trans	-60.5	-19.1	179.7	0	0	0	0	0	115.4	T413	G47-T413 PolarHBondContact N-OG1 2.91Å; G47-T413 VanDerWaalsContact N-OG1 3.16Å
48	F	63.5	Low	89.3	Confident	43 Å²	43	32.5 Å²	32.5	19%	0.189	19%	0.192	C	C	.	.	S	Bend	trans	-127.6	-15.5	-171.6	-48.9	-61.7	0	0	0	114.8	G46 E73 N77 P79 T415	G46-F48 PolarHBondContact O-N 2.91Å; G46-F48 VanDerWaalsContact O-N 3.07Å; F48-E73 WeakPolarHBondContact CB-OE1 3.11Å; F48-E73 WeakPolarHBondContact O-CG 3.43Å; F48-N77 PolarHBondContact O-ND2 3.4Å; F48-P79 HydrophobicContact CD1-CG 4.41Å; F48-P79 HydrophobicContact CD2-CB 4.26Å; F48-P79 HydrophobicContact CD2-CG 4.18Å; F48-P79 HydrophobicContact CG-CG 4.14Å; F48-T415 HydrophobicContact CE2-CG2 4.03Å; F48-T415 HydrophobicContact CZ-CG2 4.15Å
49	G	79.9	Confident	89.2	Confident	2 Å²	2	39.3 Å²	39.3	2%	0.021	23%	0.229	C	C	.	.			trans	-160.2	173.5	-168.3	0	0	0	0	0	115.4	G46 V72	G46-G49 PolarHBondContact N-O 3.02Å; G49-V72 CarbonylContact C-O 3.59Å; G49-V72 WeakPolarHBondContact CA-O 3.47Å
50	L	90.8	Very high	89	Confident	2 Å²	2	47 Å²	47	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	138.8	178.5	-69.5	165.9	0	0	0	110.2	A20 E21 E22 K45 Y52 K71 V72	A20-L50 HydrophobicContact CB-CB 4.48Å; A20-L50 HydrophobicContact CB-CD1 3.73Å; A20-L50 HydrophobicContact CB-CG 4.05Å; E21-L50 VanDerWaalsContact O-CD1 3.26Å; E21-L50 WeakPolarHBondContact O-CD1 3.35Å; E22-L50 HydrophobicContact CB-CD1 4.4Å; E22-L50 HydrophobicContact CG-CD1 3.61Å; E22-L50 HydrophobicContact CG-CD2 4.17Å; K45-L50 HydrophobicContact CB-CD2 4.14Å; K45-L50 HydrophobicContact CD-CD2 3.93Å; K45-L50 HydrophobicContact CG-CD2 3.79Å; L50-Y52 HydrophobicContact CB-CD2 4.5Å; L50-Y52 HydrophobicContact CB-CE2 3.63Å; L50-Y52 WeakPolarHBondContact CD1-OH 3.4Å; L50-K71 CarbonylContact O-C 3.57Å; L50-K71 WeakPolarHBondContact O-CA 3.14Å; L50-V72 PolarHBondContact N-O 3.01Å; L50-V72 PolarHBondContact O-N 3.16Å
51	L	93.9	Very high	88.9	Confident	32 Å²	32	52.5 Å²	52.5	17%	0.168	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.7	172.7	-87.1	73.3	0	0	0	110.3	P42 I43 G44 I70 K71 M411	P42-L51 WeakPolarHBondContact CA-O 3.33Å; I43-L51 HydrophobicContact CG1-CB 4.1Å; I43-L51 WeakPolarHBondContact CG1-O 3.43Å; I43-L51 PolarHBondContact N-O 3.23Å; G44-L51 PolarHBondContact N-O 2.84Å; G44-L51 PolarHBondContact O-N 3.5Å; L51-I70 WeakPolarHBondContact CA-O 3.17Å; L51-K71 HydrophobicContact CD1-CB 4.15Å; L51-K71 HydrophobicContact CD1-CD 4.18Å; L51-K71 HydrophobicContact CD1-CG 3.86Å; L51-K71 HydrophobicContact CG-CB 4.3Å; L51-M411 HydrophobicContact CD2-SD 4.39Å
52	Y	97	Very high	89	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149.8	175.6	-59.4	-94.9	0	0	0	110.2	E22 F23 L39 P42 L50 V69 I70 V72	E22-Y52 WeakPolarHBondContact CA-OH 3.4Å; F23-Y52 HydrophobicContact CB-CE1 4.23Å; F23-Y52 HydrophobicContact CD2-CE2 4.24Å; F23-Y52 PolarHBondContact N-OH 2.68Å; L39-Y52 HydrophobicContact CD1-CD1 4.27Å; L39-Y52 HydrophobicContact CD1-CD2 4.32Å; L39-Y52 HydrophobicContact CD1-CE1 4.49Å; L39-Y52 HydrophobicContact CD1-CG 4.19Å; L39-Y52 HydrophobicContact CD2-CD2 4.47Å; L39-Y52 HydrophobicContact CD2-CG 4.21Å; P42-Y52 HydrophobicContact CB-CD1 3.95Å; P42-Y52 HydrophobicContact CB-CE1 3.87Å; L50-Y52 HydrophobicContact CB-CD2 4.5Å; L50-Y52 HydrophobicContact CB-CE2 3.63Å; L50-Y52 WeakPolarHBondContact CD1-OH 3.4Å; Y52-V69 CarbonylContact O-C 3.56Å; Y52-V69 WeakPolarHBondContact O-CA 3.41Å; Y52-V69 WeakPolarHBondContact O-CB 3.47Å; Y52-I70 PolarHBondContact N-O 3.1Å; Y52-I70 PolarHBondContact O-N 3.13Å; Y52-V72 HydrophobicContact CD2-CG2 4.03Å; Y52-V72 HydrophobicContact CE2-CB 4.42Å; Y52-V72 HydrophobicContact CE2-CG2 3.92Å
53	L	97.6	Very high	89.1	Confident	9 Å²	9	50.5 Å²	50.5	5%	0.047	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	146.4	156.2	-65	171.1	0	0	0	109.2	G40 A41 I43 V62 A66 R133	G40-L53 PolarHBondContact N-O 3.42Å; A41-L53 HydrophobicContact CB-CD1 4.46Å; A41-L53 PolarHBondContact O-N 3.12Å; I43-L53 HydrophobicContact CD1-CD2 4.16Å; I43-L53 HydrophobicContact CG2-CD1 4.05Å; I43-L53 HydrophobicContact CG2-CD2 3.97Å; I43-L53 HydrophobicContact CG2-CG 3.63Å; L53-V62 HydrophobicContact CB-CG1 3.92Å; L53-A66 HydrophobicContact CB-CB 4.19Å; L53-A66 HydrophobicContact CD2-CB 4.48Å; L53-R133 VanDerWaalsContact CD2-CZ 3.47Å
54	A	98.3	Very high	89.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.7	178.8	0	0	0	0	0	112.2	K38 Y68 I70	K38-A54 WeakPolarHBondContact O-CA 3.4Å; A54-Y68 PolarHBondContact N-O 3.31Å; A54-Y68 WeakPolarHBondContact O-CB 3.33Å; A54-Y68 PolarHBondContact O-N 2.73Å; A54-I70 HydrophobicContact CB-CB 4.16Å; A54-I70 HydrophobicContact CB-CD1 3.57Å; A54-I70 HydrophobicContact CB-CG1 3.6Å
55	D	98.3	Very high	89.5	Confident	57 Å²	57	58.3 Å²	58.3	31%	0.305	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	169.2	167.5	-146.2	-26.5	0	0	0	110.4	W37 K38 V62 P67	W37-D55 CarbonylContact C-O 3.55Å; W37-D55 WeakPolarHBondContact CA-O 3.18Å; K38-D55 PolarHBondContact N-O 3.38Å; K38-D55 PolarHBondContact O-N 2.92Å; D55-V62 HydrophobicContact CB-CG1 4.45Å; D55-V62 HydrophobicContact CB-CG2 4.15Å; D55-P67 WeakPolarHBondContact OD2-CD 3.22Å
56	Q	97.3	Very high	90.4	Very high	108 Å²	108	55.6 Å²	55.6	51%	0.505	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	144	168.7	-63.7	-174.9	24.7	0	0	109.8	W37 S58 Y68	W37-Q56 HydrophobicContact CE3-CG 4.11Å; W37-Q56 HydrophobicContact CH2-CG 4.24Å; W37-Q56 HydrophobicContact CZ3-CG 3.69Å; Q56-S58 PolarHBondContact O-N 3Å; Q56-Y68 HydrophobicContact CG-CE2 4.49Å
57	N	97.4	Very high	91.9	Very high	77 Å²	77	56.7 Å²	56.7	41%	0.412	33%	0.325	S	S	.	.	S	Bend	trans	-63.6	128.6	-176.5	-171.2	41.6	0	0	0	111.4	V28 S36 K38	V28-N57 HydrophobicContact CG1-CB 4.31Å; S36-N57 WeakPolarHBondContact O-CB 3.31Å; S36-N57 PolarHBondContact O-N 3.43Å; K38-N57 VanDerWaalsContact CE-OD1 3.28Å; K38-N57 WeakPolarHBondContact CE-OD1 3.36Å
58	S	96.4	Very high	93.6	Very high	58 Å²	58	56.2 Å²	56.2	41%	0.406	31%	0.311	S	S	.	.			trans	-153.7	177.4	178.1	63.1	0	0	0	0	108.4	K38 Q56 K60	K38-S58 VanDerWaalsContact CE-O 3.26Å; K38-S58 WeakPolarHBondContact CE-O 3.47Å; K38-S58 PolarHBondContact NZ-O 3.49Å; Q56-S58 PolarHBondContact O-N 3Å; S58-K60 PolarHBondContact O-N 2.83Å
59	D	94.6	Very high	95.2	Very high	169 Å²	169	54.6 Å²	54.6	90%	0.904	30%	0.304	S	S	*	.	S	Bend	trans	-69.7	-21.6	177.3	-56.7	-52.3	0	0	0	113.2
60	K	95	Very high	96	Very high	163 Å²	163	54.5 Å²	54.5	71%	0.709	30%	0.303	S	S	*	.	S	Bend	trans	-69.9	148.7	-176.6	-63.7	-179.6	-177.3	177.1	0	111.8	K38 S58	K38-K60 PolarHBondContact NZ-O 3.37Å; S58-K60 PolarHBondContact O-N 2.83Å
61	P	96.3	Very high	96.2	Very high	117 Å²	117	55.8 Å²	55.8	76%	0.76	31%	0.309	S	S	*	.			trans	-70.8	151	164.8	31.5	-34.2	0	0	0	110.3	G63	P61-G63 PolarHBondContact O-N 2.87Å
62	V	97.8	Very high	96.2	Very high	22 Å²	22	54.3 Å²	54.3	13%	0.133	30%	0.301	C	S	.	.			trans	-78.4	113.7	178.7	177.6	0	0	0	0	109.6	K38 L53 D55 A66	K38-V62 HydrophobicContact CB-CG2 3.85Å; K38-V62 HydrophobicContact CD-CG2 3.95Å; K38-V62 HydrophobicContact CG-CG2 3.8Å; K38-V62 WeakPolarHBondContact O-CG2 3.41Å; L53-V62 HydrophobicContact CB-CG1 3.92Å; D55-V62 HydrophobicContact CB-CG1 4.45Å; D55-V62 HydrophobicContact CB-CG2 4.15Å; V62-A66 HydrophobicContact CG1-CB 3.51Å
63	G	95.3	Very high	96	Very high	22 Å²	22	54.4 Å²	54.4	23%	0.227	30%	0.301	C	S	.	.			trans	-85.4	173.9	-173.3	0	0	0	0	0	115.4	P61 D65 A66	P61-G63 PolarHBondContact O-N 2.87Å; G63-D65 WeakPolarHBondContact CA-OD1 3.44Å; G63-D65 PolarHBondContact O-N 2.94Å; G63-D65 VanDerWaalsContact O-N 3.14Å; G63-A66 VanDerWaalsContact O-CB 3.25Å; G63-A66 WeakPolarHBondContact O-CB 3.17Å; G63-A66 PolarHBondContact O-N 3.43Å; G63-A66 VanDerWaalsContact O-N 3.15Å
64	P	93.1	Very high	95.6	Very high	105 Å²	105	54.5 Å²	54.5	68%	0.682	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-0.1	177.2	33.3	-37.4	0	0	0	113.7	R133	P64-R133 VanDerWaalsContact C-NH1 3.28Å; P64-R133 PolarHBondContact O-NH1 2.99Å; P64-R133 PolarHBondContact O-NH2 3.34Å
65	D	92.8	Very high	95.1	Very high	121 Å²	121	56 Å²	56	65%	0.647	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-3.1	176	61.2	-36.7	0	0	0	113.2	G63 R133	G63-D65 WeakPolarHBondContact CA-OD1 3.44Å; G63-D65 PolarHBondContact O-N 2.94Å; G63-D65 VanDerWaalsContact O-N 3.14Å; D65-R133 VanDerWaalsContact C-NH1 3.33Å
66	A	96.6	Very high	94.5	Very high	2 Å²	2	60.1 Å²	60.1	2%	0.017	33%	0.331	C	S	.	.			trans	-46.4	133.4	-178.9	0	0	0	0	0	112.7	L53 V62 G63 R133	L53-A66 HydrophobicContact CB-CB 4.19Å; L53-A66 HydrophobicContact CD2-CB 4.48Å; V62-A66 HydrophobicContact CG1-CB 3.51Å; G63-A66 VanDerWaalsContact O-CB 3.25Å; G63-A66 WeakPolarHBondContact O-CB 3.17Å; G63-A66 PolarHBondContact O-N 3.43Å; G63-A66 VanDerWaalsContact O-N 3.15Å; A66-R133 WeakPolarHBondContact O-CD 3.19Å; A66-R133 PolarHBondContact O-NH1 3.26Å
67	P	96.6	Very high	93.6	Very high	41 Å²	41	55.5 Å²	55.5	27%	0.266	31%	0.309	S	S	.	.	S	Bend	trans	-82.4	-14.5	-169.2	30.7	-34.5	0	0	0	114.7	D55 R133	D55-P67 WeakPolarHBondContact OD2-CD 3.22Å; P67-R133 VanDerWaalsContact O-CB 3.3Å; P67-R133 WeakPolarHBondContact O-CB 3.3Å; P67-R133 PolarHBondContact O-N 2.88Å
68	Y	97.8	Very high	92.4	Very high	30 Å²	30	53.6 Å²	53.6	12%	0.118	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	164.5	-176.8	-48.7	-65.1	0	0	0	111.9	W37 A54 Q56 W114 V130 I131	W37-Y68 HydrophobicContact CE3-CD2 4.31Å; W37-Y68 HydrophobicContact CH2-CE2 4.41Å; W37-Y68 AromaticContact CZ3-CD2 3.61Å; W37-Y68 HydrophobicContact CZ3-CD2 3.61Å; W37-Y68 AromaticContact CZ3-CE2 3.7Å; W37-Y68 HydrophobicContact CZ3-CE2 3.7Å; W37-Y68 HydrophobicContact CZ3-CG 4.19Å; A54-Y68 PolarHBondContact N-O 3.31Å; A54-Y68 WeakPolarHBondContact O-CB 3.33Å; A54-Y68 PolarHBondContact O-N 2.73Å; Q56-Y68 HydrophobicContact CG-CE2 4.49Å; Y68-W114 AromaticContact CD1-CD1 3.56Å; Y68-W114 HydrophobicContact CD1-CD2 4.38Å; Y68-W114 HydrophobicContact CD1-CG 4.03Å; Y68-W114 AromaticContact CD1-NE1 3.64Å; Y68-W114 AromaticContact CE1-CD1 3.67Å; Y68-W114 AromaticContact CE1-CD2 3.75Å; Y68-W114 HydrophobicContact CE1-CD2 3.75Å; Y68-W114 AromaticContact CE1-CE2 3.5Å; Y68-W114 VanDerWaalsContact CE1-CE2 3.5Å; Y68-W114 HydrophobicContact CE1-CE3 4.47Å; Y68-W114 AromaticContact CE1-CG 3.87Å; Y68-W114 HydrophobicContact CE1-CG 3.87Å; Y68-W114 HydrophobicContact CE1-CZ2 4.03Å; Y68-W114 AromaticContact CE1-NE1 3.43Å; Y68-V130 HydrophobicContact CG-CG1 4.39Å; Y68-I131 WeakPolarHBondContact CA-O 3.36Å
69	V	97.2	Very high	91.4	Very high	9 Å²	9	52 Å²	52	6%	0.055	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.4	165	-62.3	0	0	0	0	110.3	I43 Y52 V130 I131 R133	I43-V69 HydrophobicContact CD1-CG1 3.57Å; Y52-V69 CarbonylContact O-C 3.56Å; Y52-V69 WeakPolarHBondContact O-CA 3.41Å; Y52-V69 WeakPolarHBondContact O-CB 3.47Å; V69-V130 WeakPolarHBondContact O-CA 3.45Å; V69-I131 HydrophobicContact CG2-CD1 4.19Å; V69-I131 HydrophobicContact CG2-CG1 3.57Å; V69-I131 PolarHBondContact N-O 2.81Å; V69-I131 PolarHBondContact O-N 3.2Å; V69-R133 HydrophobicContact CG1-CB 3.88Å; V69-R133 HydrophobicContact CG1-CG 3.81Å
70	I	97.1	Very high	90.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	119.4	171	-77.1	169.5	0	0	0	109.3	L29 W37 L39 L51 Y52 A54 V72 F128 M129 V130	L29-I70 HydrophobicContact CD2-CG2 4.1Å; W37-I70 HydrophobicContact CB-CD1 3.65Å; W37-I70 HydrophobicContact CG-CD1 4.29Å; L39-I70 HydrophobicContact CD2-CB 3.88Å; L39-I70 HydrophobicContact CD2-CD1 3.73Å; L39-I70 HydrophobicContact CD2-CG1 4.37Å; L39-I70 HydrophobicContact CD2-CG2 3.96Å; L51-I70 WeakPolarHBondContact CA-O 3.17Å; Y52-I70 PolarHBondContact N-O 3.1Å; Y52-I70 PolarHBondContact O-N 3.13Å; A54-I70 HydrophobicContact CB-CB 4.16Å; A54-I70 HydrophobicContact CB-CD1 3.57Å; A54-I70 HydrophobicContact CB-CG1 3.6Å; I70-V72 HydrophobicContact CG2-CG2 3.57Å; I70-F128 HydrophobicContact CG2-CB 3.95Å; I70-F128 HydrophobicContact CG2-CD2 4.24Å; I70-F128 HydrophobicContact CG2-CG 4.48Å; I70-M129 WeakPolarHBondContact CA-O 3.48Å; I70-V130 HydrophobicContact CD1-CG2 3.97Å; I70-V130 HydrophobicContact CG1-CB 4.2Å; I70-V130 HydrophobicContact CG1-CG1 4.15Å; I70-V130 HydrophobicContact CG1-CG2 3.76Å
71	K	94.8	Very high	90.1	Very high	30 Å²	30	40.7 Å²	40.7	13%	0.13	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	128.5	169.9	-178.5	171.3	179.4	-177.9	0	108.8	L50 L51 E73 L80 E83 F128 M129	L50-K71 CarbonylContact O-C 3.57Å; L50-K71 WeakPolarHBondContact O-CA 3.14Å; L51-K71 HydrophobicContact CD1-CB 4.15Å; L51-K71 HydrophobicContact CD1-CD 4.18Å; L51-K71 HydrophobicContact CD1-CG 3.86Å; L51-K71 HydrophobicContact CG-CB 4.3Å; K71-E73 WeakPolarHBondContact CE-OE1 3.17Å; K71-L80 HydrophobicContact CD-CD1 3.97Å; K71-L80 HydrophobicContact CG-CD1 4.19Å; K71-E83 WeakPolarHBondContact CE-OE2 3.46Å; K71-E83 IonicContact NZ-OE1 2.78Å; K71-E83 IonicContact NZ-OE2 2.9Å; K71-E83 PolarHBondContact NZ-OE2 3.38Å; K71-F128 VanDerWaalsContact O-CA 3.24Å; K71-F128 WeakPolarHBondContact O-CA 3.09Å; K71-M129 PolarHBondContact N-O 2.92Å; K71-M129 PolarHBondContact O-N 3.35Å
72	V	93.6	Very high	89.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.1	-177.7	-167.2	0	0	0	0	111.3	F23 G49 L50 Y52 I70 Y126 R127 F128	F23-V72 HydrophobicContact CE2-CG1 3.77Å; F23-V72 HydrophobicContact CZ-CG1 4.4Å; G49-V72 CarbonylContact C-O 3.59Å; G49-V72 WeakPolarHBondContact CA-O 3.47Å; L50-V72 PolarHBondContact N-O 3.01Å; L50-V72 PolarHBondContact O-N 3.16Å; Y52-V72 HydrophobicContact CD2-CG2 4.03Å; Y52-V72 HydrophobicContact CE2-CB 4.42Å; Y52-V72 HydrophobicContact CE2-CG2 3.92Å; I70-V72 HydrophobicContact CG2-CG2 3.57Å; V72-Y126 HydrophobicContact CG1-CD1 4.08Å; V72-Y126 HydrophobicContact CG1-CG 4.24Å; V72-R127 WeakPolarHBondContact CA-O 3.38Å; V72-F128 HydrophobicContact CG2-CB 4.08Å
73	E	91.9	Very high	89.2	Confident	2 Å²	2	37 Å²	37	1%	0.009	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.7	172.7	-62.4	-167.8	-172.3	0	0	110.4	F48 K71 S75 N77 L80 Y126 R127	F48-E73 WeakPolarHBondContact CB-OE1 3.11Å; F48-E73 WeakPolarHBondContact O-CG 3.43Å; K71-E73 WeakPolarHBondContact CE-OE1 3.17Å; E73-S75 PolarHBondContact O-N 3.16Å; E73-N77 HydrophobicContact CB-CB 4.21Å; E73-N77 WeakPolarHBondContact OE2-CB 3.49Å; E73-L80 HydrophobicContact CB-CB 4.21Å; E73-L80 HydrophobicContact CB-CD2 3.89Å; E73-L80 VanDerWaalsContact CD-CB 3.42Å; E73-L80 HydrophobicContact CG-CB 3.92Å; E73-L80 HydrophobicContact CG-CD2 3.86Å; E73-L80 HydrophobicContact CG-CG 4.49Å; E73-L80 WeakPolarHBondContact OE2-CB 3.29Å; E73-L80 PolarHBondContact OE2-N 2.98Å; E73-Y126 CarbonylContact O-C 3.52Å; E73-Y126 WeakPolarHBondContact O-CA 3.39Å; E73-R127 PolarHBondContact N-O 3.2Å; E73-R127 PolarHBondContact O-N 3.43Å
74	P	90.3	Very high	89.1	Confident	12 Å²	12	36.5 Å²	36.5	8%	0.078	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	139	164.8	-26.2	36	0	0	0	110.9	K18 E76 N77 Y126	K18-P74 HydrophobicContact CB-CG 4.31Å; P74-E76 PolarHBondContact O-N 2.63Å; P74-N77 WeakPolarHBondContact O-CB 3.35Å; P74-N77 PolarHBondContact O-N 3.36Å; P74-Y126 HydrophobicContact CG-CD1 4.47Å; P74-Y126 HydrophobicContact CG-CE1 4.27Å
75	S	87.8	Confident	89.1	Confident	32 Å²	32	34.2 Å²	34.2	22%	0.224	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.6	-172	61.1	0	0	0	0	114.6	E73 N77 R125 R127	E73-S75 PolarHBondContact O-N 3.16Å; S75-N77 VanDerWaalsContact C-N 3.34Å; S75-R125 PolarHBondContact N-O 3.33Å; S75-R125 PolarHBondContact OG-O 2.78Å; S75-R127 PolarHBondContact O-NH2 3.28Å
76	E	84.3	Confident	89.3	Confident	143 Å²	143	28.4 Å²	28.4	67%	0.668	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-18	173.3	-60.1	174.6	167.3	0	0	113.4	K18 P74	K18-E76 IonicContact NZ-OE1 3.71Å; K18-E76 IonicContact NZ-OE2 2.84Å; K18-E76 PolarHBondContact NZ-OE2 3.08Å; P74-E76 PolarHBondContact O-N 2.63Å
77	N	79	Confident	89.3	Confident	10 Å²	10	28.3 Å²	28.3	5%	0.053	16%	0.157	C	C	.	.			trans	-77.1	126	-178.8	-75.8	-0.7	0	0	0	111	K18 F48 E73 P74 S75	K18-N77 PolarHBondContact O-ND2 3.41Å; F48-N77 PolarHBondContact O-ND2 3.4Å; E73-N77 HydrophobicContact CB-CB 4.21Å; E73-N77 WeakPolarHBondContact OE2-CB 3.49Å; P74-N77 WeakPolarHBondContact O-CB 3.35Å; P74-N77 PolarHBondContact O-N 3.36Å; S75-N77 VanDerWaalsContact C-N 3.34Å
78	G	72.5	Confident	89.3	Confident	38 Å²	38	29.9 Å²	29.9	39%	0.392	16%	0.162	S	C	.	.	S	Bend	trans	-72.1	-36.4	-179.6	0	0	0	0	0	117.2	L80 F81 S82	G78-L80 PolarHBondContact O-N 3.28Å; G78-F81 WeakPolarHBondContact O-CB 3.43Å; G78-F81 PolarHBondContact O-N 2.75Å; G78-F81 VanDerWaalsContact O-N 3.07Å; G78-S82 PolarHBondContact O-N 3.14Å
79	P	75.4	Confident	89.2	Confident	23 Å²	23	34 Å²	34	15%	0.149	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-51.4	-174.2	-29	37.4	0	0	0	114.5	F48 F81 S82 E83	F48-P79 HydrophobicContact CD1-CG 4.41Å; F48-P79 HydrophobicContact CD2-CB 4.26Å; F48-P79 HydrophobicContact CD2-CG 4.18Å; F48-P79 HydrophobicContact CG-CG 4.14Å; P79-F81 PolarHBondContact O-N 2.7Å; P79-S82 PolarHBondContact O-N 3.14Å; P79-E83 PolarHBondContact O-N 2.95Å
80	L	78.6	Confident	89.2	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-23.1	176.6	-177.9	62.7	0	0	0	112.9	K71 E73 G78 L84 R127 M129	K71-L80 HydrophobicContact CD-CD1 3.97Å; K71-L80 HydrophobicContact CG-CD1 4.19Å; E73-L80 HydrophobicContact CB-CB 4.21Å; E73-L80 HydrophobicContact CB-CD2 3.89Å; E73-L80 VanDerWaalsContact CD-CB 3.42Å; E73-L80 HydrophobicContact CG-CB 3.92Å; E73-L80 HydrophobicContact CG-CD2 3.86Å; E73-L80 HydrophobicContact CG-CG 4.49Å; E73-L80 WeakPolarHBondContact OE2-CB 3.29Å; E73-L80 PolarHBondContact OE2-N 2.98Å; G78-L80 PolarHBondContact O-N 3.28Å; L80-L84 WeakPolarHBondContact O-CB 3.37Å; L80-L84 PolarHBondContact O-N 3.09Å; L80-R127 HydrophobicContact CD2-CB 4.18Å; L80-R127 HydrophobicContact CD2-CG 3.97Å; L80-R127 WeakPolarHBondContact CD2-O 3.38Å; L80-R127 HydrophobicContact CG-CG 4.37Å; L80-M129 HydrophobicContact CD1-CB 4.24Å; L80-M129 HydrophobicContact CD1-CE 4.04Å
81	F	83.7	Confident	89.3	Confident	95 Å²	95	33.7 Å²	33.7	42%	0.417	18%	0.175	S	C	.	.	H	α-helix	trans	-70	-43.7	174.8	177.7	-97.9	0	0	0	111.8	G78 P79 H85	G78-F81 WeakPolarHBondContact O-CB 3.43Å; G78-F81 PolarHBondContact O-N 2.75Å; G78-F81 VanDerWaalsContact O-N 3.07Å; P79-F81 PolarHBondContact O-N 2.7Å; F81-H85 AromaticContact CD1-CD2 3.91Å; F81-H85 AromaticContact CD2-NE2 4Å; F81-H85 AromaticContact CE1-CD2 3.59Å; F81-H85 AromaticContact CE1-NE2 3.64Å; F81-H85 AromaticContact CE2-CD2 3.83Å; F81-H85 AromaticContact CE2-NE2 3.29Å; F81-H85 VanDerWaalsContact CE2-NE2 3.29Å; F81-H85 WeakPolarHBondContact CE2-NE2 3.11Å; F81-H85 AromaticContact CZ-CD2 3.56Å; F81-H85 AromaticContact CZ-NE2 3.09Å; F81-H85 WeakPolarHBondContact CZ-NE2 3.16Å; F81-H85 PolarHBondContact O-CD2 3.03Å; F81-H85 VanDerWaalsContact O-CD2 3.22Å; F81-H85 PolarHBondContact O-N 2.8Å
82	S	83.9	Confident	89.4	Confident	57 Å²	57	36.4 Å²	36.4	40%	0.399	19%	0.187	S	C	.	.	H	α-helix	trans	-63.3	-48.7	173.5	-61.9	0	0	0	0	111.7	G78 P79 H85 F86	G78-S82 PolarHBondContact O-N 3.14Å; P79-S82 PolarHBondContact O-N 3.14Å; S82-H85 PolarHBondContact O-N 3.25Å; S82-F86 PolarHBondContact O-N 2.89Å
83	E	91.5	Very high	89.6	Confident	5 Å²	5	38.3 Å²	38.3	2%	0.023	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-48.4	179.6	-178.7	179.7	-147.6	0	0	111.4	K71 P79 H85 F86 Y87 M129	K71-E83 WeakPolarHBondContact CE-OE2 3.46Å; K71-E83 IonicContact NZ-OE1 2.78Å; K71-E83 IonicContact NZ-OE2 2.9Å; K71-E83 PolarHBondContact NZ-OE2 3.38Å; P79-E83 PolarHBondContact O-N 2.95Å; E83-H85 PolarHBondContact O-N 2.93Å; E83-F86 WeakPolarHBondContact O-CB 3.31Å; E83-F86 PolarHBondContact O-N 3.32Å; E83-F86 VanDerWaalsContact O-N 3.09Å; E83-Y87 HydrophobicContact CG-CD2 3.76Å; E83-Y87 HydrophobicContact CG-CE2 3.56Å; E83-Y87 WeakPolarHBondContact O-CD2 3.38Å; E83-Y87 PolarHBondContact O-N 3.31Å; E83-Y87 VanDerWaalsContact O-N 3.1Å; E83-M129 HydrophobicContact CG-CE 4.12Å
84	L	93.1	Very high	89.9	Confident	11 Å²	11	42.3 Å²	42.3	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-58.3	-37.1	177.4	176.1	60.8	0	0	0	112.1	L80 F86 Y87 M88 Y113 S116 R127 M129	L80-L84 WeakPolarHBondContact O-CB 3.37Å; L80-L84 PolarHBondContact O-N 3.09Å; L84-F86 VanDerWaalsContact C-N 3.34Å; L84-F86 PolarHBondContact O-N 3.44Å; L84-Y87 PolarHBondContact O-N 3Å; L84-M88 HydrophobicContact CD1-CG 3.75Å; L84-M88 HydrophobicContact CD1-SD 3.91Å; L84-M88 HydrophobicContact CD2-SD 4.24Å; L84-M88 HydrophobicContact CG-CG 4.12Å; L84-M88 HydrophobicContact CG-SD 3.76Å; L84-M88 WeakPolarHBondContact O-CB 3.35Å; L84-M88 VanDerWaalsContact O-CG 3.28Å; L84-M88 WeakPolarHBondContact O-CG 3.31Å; L84-M88 PolarHBondContact O-N 2.78Å; L84-Y113 HydrophobicContact CD1-CD2 4.45Å; L84-Y113 HydrophobicContact CD1-CE2 3.72Å; L84-S116 VanDerWaalsContact CD1-CB 3.45Å; L84-R127 HydrophobicContact CD2-CG 4.29Å; L84-M129 HydrophobicContact CB-SD 4.23Å; L84-M129 HydrophobicContact CD1-CB 4.24Å; L84-M129 HydrophobicContact CD1-CG 3.82Å; L84-M129 HydrophobicContact CD1-SD 3.66Å
85	H	93.1	Very high	90.2	Very high	57 Å²	57	44 Å²	44	26%	0.264	23%	0.229	S	C	.	.	H	α-helix	trans	-67.6	-30.3	177.5	-89.2	-51.6	0	0	0	114.1	F81 S82 E83 R89 Y173	F81-H85 AromaticContact CD1-CD2 3.91Å; F81-H85 AromaticContact CD2-NE2 4Å; F81-H85 AromaticContact CE1-CD2 3.59Å; F81-H85 AromaticContact CE1-NE2 3.64Å; F81-H85 AromaticContact CE2-CD2 3.83Å; F81-H85 AromaticContact CE2-NE2 3.29Å; F81-H85 VanDerWaalsContact CE2-NE2 3.29Å; F81-H85 WeakPolarHBondContact CE2-NE2 3.11Å; F81-H85 AromaticContact CZ-CD2 3.56Å; F81-H85 AromaticContact CZ-NE2 3.09Å; F81-H85 WeakPolarHBondContact CZ-NE2 3.16Å; F81-H85 PolarHBondContact O-CD2 3.03Å; F81-H85 VanDerWaalsContact O-CD2 3.22Å; F81-H85 PolarHBondContact O-N 2.8Å; S82-H85 PolarHBondContact O-N 3.25Å; E83-H85 PolarHBondContact O-N 2.93Å; H85-R89 WeakPolarHBondContact O-CB 3.28Å; H85-R89 WeakPolarHBondContact O-CG 3.48Å; H85-Y173 PolarHBondContact O-OH 3.34Å
86	F	96.2	Very high	90.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.2	-55.4	166.7	163.4	-94.9	0	0	0	109.9	S82 E83 L84 M88 R89 A90 A91 V110 I168 Y173 Y198	S82-F86 PolarHBondContact O-N 2.89Å; E83-F86 WeakPolarHBondContact O-CB 3.31Å; E83-F86 PolarHBondContact O-N 3.32Å; E83-F86 VanDerWaalsContact O-N 3.09Å; L84-F86 VanDerWaalsContact C-N 3.34Å; L84-F86 PolarHBondContact O-N 3.44Å; F86-M88 VanDerWaalsContact C-N 3.32Å; F86-M88 PolarHBondContact O-N 2.97Å; F86-R89 PolarHBondContact O-N 3.31Å; F86-A90 HydrophobicContact CD2-CB 3.97Å; F86-A90 HydrophobicContact CE2-CB 3.62Å; F86-A90 HydrophobicContact CZ-CB 4.14Å; F86-A90 PolarHBondContact O-N 3.06Å; F86-A91 HydrophobicContact CE1-CB 4.01Å; F86-A91 HydrophobicContact CZ-CB 4.44Å; F86-V110 HydrophobicContact CE1-CG1 4.16Å; F86-V110 HydrophobicContact CZ-CG1 4.05Å; F86-I168 HydrophobicContact CE2-CB 4.24Å; F86-I168 HydrophobicContact CE2-CG2 3.79Å; F86-I168 HydrophobicContact CZ-CG2 3.78Å; F86-Y173 HydrophobicContact CB-CD1 4.41Å; F86-Y173 HydrophobicContact CB-CE1 4.16Å; F86-Y173 AromaticContact CD2-CD1 3.98Å; F86-Y173 HydrophobicContact CD2-CD1 3.98Å; F86-Y173 AromaticContact CD2-CD2 3.92Å; F86-Y173 HydrophobicContact CD2-CD2 3.92Å; F86-Y173 HydrophobicContact CD2-CE1 4.45Å; F86-Y173 HydrophobicContact CD2-CE2 4.43Å; F86-Y173 AromaticContact CD2-CG 3.69Å; F86-Y173 HydrophobicContact CD2-CG 3.69Å; F86-Y173 HydrophobicContact CE2-CG 4.36Å; F86-Y198 AromaticContact CD1-CD1 3.47Å; F86-Y198 HydrophobicContact CD1-CD1 3.47Å; F86-Y198 VanDerWaalsContact CD1-CD1 3.47Å; F86-Y198 AromaticContact CD1-CD2 3.66Å; F86-Y198 HydrophobicContact CD1-CD2 3.66Å; F86-Y198 AromaticContact CD1-CE1 3.97Å; F86-Y198 HydrophobicContact CD1-CE1 3.97Å; F86-Y198 HydrophobicContact CD1-CE2 4.15Å; F86-Y198 AromaticContact CD1-CG 3.3Å; F86-Y198 HydrophobicContact CD1-CG 3.3Å; F86-Y198 AromaticContact CD2-CD1 3.88Å; F86-Y198 HydrophobicContact CD2-CD1 3.88Å; F86-Y198 HydrophobicContact CD2-CE1 4.32Å; F86-Y198 HydrophobicContact CD2-CG 4.47Å; F86-Y198 AromaticContact CE1-CD1 3.4Å; F86-Y198 HydrophobicContact CE1-CD1 3.4Å; F86-Y198 AromaticContact CE1-CD2 3.58Å; F86-Y198 HydrophobicContact CE1-CD2 3.58Å; F86-Y198 AromaticContact CE1-CE1 3.37Å; F86-Y198 HydrophobicContact CE1-CE1 3.37Å; F86-Y198 AromaticContact CE1-CE2 3.57Å; F86-Y198 HydrophobicContact CE1-CE2 3.57Å; F86-Y198 AromaticContact CE1-CG 3.52Å; F86-Y198 HydrophobicContact CE1-CG 3.52Å; F86-Y198 AromaticContact CE1-CZ 3.49Å; F86-Y198 VanDerWaalsContact CE1-CZ 3.49Å; F86-Y198 AromaticContact CE2-CD1 3.8Å; F86-Y198 HydrophobicContact CE2-CD1 3.8Å; F86-Y198 AromaticContact CE2-CE1 3.76Å; F86-Y198 HydrophobicContact CE2-CE1 3.76Å; F86-Y198 AromaticContact CG-CD1 3.73Å; F86-Y198 HydrophobicContact CG-CD1 3.73Å; F86-Y198 HydrophobicContact CG-CE1 4.42Å; F86-Y198 AromaticContact CG-CG 3.85Å; F86-Y198 HydrophobicContact CG-CG 3.85Å; F86-Y198 AromaticContact CZ-CD1 3.57Å; F86-Y198 HydrophobicContact CZ-CD1 3.57Å; F86-Y198 HydrophobicContact CZ-CD2 4.45Å; F86-Y198 AromaticContact CZ-CE1 3.24Å; F86-Y198 HydrophobicContact CZ-CE1 3.24Å; F86-Y198 HydrophobicContact CZ-CE2 4.21Å; F86-Y198 HydrophobicContact CZ-CG 4.19Å; F86-Y198 AromaticContact CZ-CZ 3.63Å
87	Y	97.3	Very high	91.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-42.1	-174.4	-83.8	-76.6	0	0	0	112.9	E83 L84 R89 A91 P111 M129 I131 Y198	E83-Y87 HydrophobicContact CG-CD2 3.76Å; E83-Y87 HydrophobicContact CG-CE2 3.56Å; E83-Y87 WeakPolarHBondContact O-CD2 3.38Å; E83-Y87 PolarHBondContact O-N 3.31Å; E83-Y87 VanDerWaalsContact O-N 3.1Å; L84-Y87 PolarHBondContact O-N 3Å; Y87-R89 VanDerWaalsContact C-N 3.28Å; Y87-R89 PolarHBondContact O-N 2.79Å; Y87-A91 HydrophobicContact CD1-CB 3.53Å; Y87-A91 HydrophobicContact CE1-CB 4.2Å; Y87-A91 HydrophobicContact CG-CB 4.3Å; Y87-A91 PolarHBondContact O-N 3.05Å; Y87-P111 HydrophobicContact CE1-CB 4.08Å; Y87-P111 HydrophobicContact CE1-CG 4.37Å; Y87-P111 WeakPolarHBondContact CE1-O 3.35Å; Y87-M129 HydrophobicContact CD2-CE 3.54Å; Y87-M129 HydrophobicContact CD2-SD 3.51Å; Y87-M129 VanDerWaalsContact CD2-SD 3.51Å; Y87-M129 HydrophobicContact CE2-CE 3.65Å; Y87-M129 HydrophobicContact CE2-SD 4.26Å; Y87-M129 HydrophobicContact CG-CE 4.27Å; Y87-M129 HydrophobicContact CG-SD 3.8Å; Y87-I131 HydrophobicContact CD1-CG2 4.06Å; Y87-I131 HydrophobicContact CE1-CG2 3.97Å; Y87-I131 HydrophobicContact CG-CG2 4.49Å; Y87-Y198 AromaticContact CE2-CD2 3.76Å; Y87-Y198 HydrophobicContact CE2-CD2 3.76Å; Y87-Y198 HydrophobicContact CE2-CE2 4.47Å; Y87-Y198 AromaticContact CZ-CD2 3.72Å; Y87-Y198 AromaticContact CZ-CE2 3.97Å
88	M	96.3	Very high	92.3	Very high	74 Å²	74	44.9 Å²	44.9	37%	0.365	23%	0.232	S	C	.	.	H	α-helix	trans	-65.9	-24	177	-73.3	179.9	70.7	0	0	114.4	L84 F86 K92 Y113	L84-M88 HydrophobicContact CD1-CG 3.75Å; L84-M88 HydrophobicContact CD1-SD 3.91Å; L84-M88 HydrophobicContact CD2-SD 4.24Å; L84-M88 HydrophobicContact CG-CG 4.12Å; L84-M88 HydrophobicContact CG-SD 3.76Å; L84-M88 WeakPolarHBondContact O-CB 3.35Å; L84-M88 VanDerWaalsContact O-CG 3.28Å; L84-M88 WeakPolarHBondContact O-CG 3.31Å; L84-M88 PolarHBondContact O-N 2.78Å; F86-M88 VanDerWaalsContact C-N 3.32Å; F86-M88 PolarHBondContact O-N 2.97Å; M88-K92 WeakPolarHBondContact O-CE 3.49Å; M88-Y113 HydrophobicContact CG-CE1 4.2Å; M88-Y113 HydrophobicContact CG-CE2 4.03Å
89	R	96.4	Very high	93.5	Very high	117 Å²	117	44.3 Å²	44.3	44%	0.442	22%	0.218	S	C	.	.	H	α-helix	trans	-99.7	-42.1	-177.3	-73.1	-174.2	-177.9	118.3	2	113.4	H85 F86 Y87 L95 Y173	H85-R89 WeakPolarHBondContact O-CB 3.28Å; H85-R89 WeakPolarHBondContact O-CG 3.48Å; F86-R89 PolarHBondContact O-N 3.31Å; Y87-R89 VanDerWaalsContact C-N 3.28Å; Y87-R89 PolarHBondContact O-N 2.79Å; R89-L95 WeakPolarHBondContact O-CD1 3.18Å; R89-Y173 HydrophobicContact CB-CE2 4.33Å; R89-Y173 PolarHBondContact NH1-OH 2.9Å
90	A	96.9	Very high	94.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-115	-20.7	-167.9	0	0	0	0	0	114.3	F86 F167 H171 Y173	F86-A90 HydrophobicContact CD2-CB 3.97Å; F86-A90 HydrophobicContact CE2-CB 3.62Å; F86-A90 HydrophobicContact CZ-CB 4.14Å; F86-A90 PolarHBondContact O-N 3.06Å; A90-F167 WeakPolarHBondContact O-CE1 3.39Å; A90-F167 WeakPolarHBondContact O-CZ 3.48Å; A90-H171 HydrophobicContact CB-CB 3.75Å; A90-Y173 HydrophobicContact CB-CD2 4.46Å
91	A	97.8	Very high	95.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.25	C	C	.	.			trans	-112	22.5	-169.4	0	0	0	0	0	114.5	F86 Y87 I96 V110 Y113	F86-A91 HydrophobicContact CE1-CB 4.01Å; F86-A91 HydrophobicContact CZ-CB 4.44Å; Y87-A91 HydrophobicContact CD1-CB 3.53Å; Y87-A91 HydrophobicContact CE1-CB 4.2Å; Y87-A91 HydrophobicContact CG-CB 4.3Å; Y87-A91 PolarHBondContact O-N 3.05Å; A91-I96 HydrophobicContact CB-CD1 4.42Å; A91-V110 HydrophobicContact CB-CG1 3.72Å; A91-Y113 WeakPolarHBondContact O-CB 3.49Å; A91-Y113 PolarHBondContact O-N 3.47Å
92	K	97.8	Very high	96.1	Very high	88 Å²	88	52.7 Å²	52.7	38%	0.383	26%	0.258	S	S	.	.			trans	-68.6	149	174.5	-54.7	-177.4	-173.2	171.6	0	110.7	M88 D94 L95 I96	M88-K92 WeakPolarHBondContact O-CE 3.49Å; K92-D94 VanDerWaalsContact C-N 3.3Å; K92-D94 WeakPolarHBondContact CB-OD1 3.4Å; K92-D94 PolarHBondContact O-N 3.03Å; K92-L95 HydrophobicContact CB-CD1 4.17Å; K92-L95 HydrophobicContact CB-CG 4.27Å; K92-L95 HydrophobicContact CD-CD1 4.3Å; K92-L95 HydrophobicContact CG-CD1 4.2Å; K92-L95 PolarHBondContact O-N 2.98Å; K92-I96 PolarHBondContact O-N 2.88Å; K92-I96 VanDerWaalsContact O-N 3.13Å
93	P	97.7	Very high	96.7	Very high	40 Å²	40	54 Å²	54	26%	0.26	26%	0.258	S	S	.	.	H	α-helix	trans	-57.8	-39.2	-178.2	-25.3	34.7	0	0	0	113.7	I96 Q97 R112 Y113 W114	P93-I96 PolarHBondContact O-N 3.07Å; P93-Q97 WeakPolarHBondContact O-CB 3.47Å; P93-Q97 VanDerWaalsContact O-CG 3.23Å; P93-Q97 WeakPolarHBondContact O-CG 3.29Å; P93-Q97 PolarHBondContact O-N 3.41Å; P93-R112 HydrophobicContact CG-CB 4.37Å; P93-Y113 WeakPolarHBondContact CD-O 3.29Å; P93-W114 HydrophobicContact CG-CE3 4.33Å; P93-W114 HydrophobicContact CG-CH2 4.28Å; P93-W114 HydrophobicContact CG-CZ3 4.11Å
94	D	97.4	Very high	97	Very high	86 Å²	86	62.9 Å²	62.9	46%	0.46	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-46.6	178.5	54.2	-55.4	0	0	0	112.6	K92 I96 Q97 N98	K92-D94 VanDerWaalsContact C-N 3.3Å; K92-D94 WeakPolarHBondContact CB-OD1 3.4Å; K92-D94 PolarHBondContact O-N 3.03Å; D94-I96 PolarHBondContact O-N 2.89Å; D94-Q97 PolarHBondContact O-N 2.65Å; D94-N98 WeakPolarHBondContact O-CB 3.47Å; D94-N98 PolarHBondContact O-N 3.49Å; D94-N98 PolarHBondContact O-ND2 3.28Å
95	L	97.7	Very high	97.1	Very high	47 Å²	47	64.4 Å²	64.4	25%	0.246	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-45.4	176.3	-63.6	175.2	0	0	0	111.6	R89 K92 N98 W99	R89-L95 WeakPolarHBondContact O-CD1 3.18Å; K92-L95 HydrophobicContact CB-CD1 4.17Å; K92-L95 HydrophobicContact CB-CG 4.27Å; K92-L95 HydrophobicContact CD-CD1 4.3Å; K92-L95 HydrophobicContact CG-CD1 4.2Å; K92-L95 PolarHBondContact O-N 2.98Å; L95-N98 PolarHBondContact O-N 3.35Å; L95-W99 PolarHBondContact O-N 3.15Å
96	I	98.3	Very high	97.1	Very high	6 Å²	6	71.9 Å²	71.9	3%	0.031	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-44.7	177.5	-69.8	168.4	0	0	0	110.9	A91 K92 P93 D94 W99 L100 V108 V110 R112 F167	A91-I96 HydrophobicContact CB-CD1 4.42Å; K92-I96 PolarHBondContact O-N 2.88Å; K92-I96 VanDerWaalsContact O-N 3.13Å; P93-I96 PolarHBondContact O-N 3.07Å; D94-I96 PolarHBondContact O-N 2.89Å; I96-W99 PolarHBondContact O-N 3.28Å; I96-L100 HydrophobicContact CG2-CD1 4.04Å; I96-L100 HydrophobicContact CG2-CG 4.44Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.45Å; I96-L100 PolarHBondContact O-N 2.94Å; I96-V108 HydrophobicContact CG2-CG1 3.8Å; I96-V110 HydrophobicContact CD1-CB 4.36Å; I96-V110 HydrophobicContact CD1-CG1 4.26Å; I96-R112 HydrophobicContact CD1-CG 3.77Å; I96-F167 HydrophobicContact CG1-CE1 4.22Å; I96-F167 HydrophobicContact CG1-CE2 4.32Å; I96-F167 HydrophobicContact CG1-CZ 3.62Å
97	Q	98	Very high	97	Very high	109 Å²	109	73.3 Å²	73.3	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-65.4	-39.8	179.1	-72.3	-58.7	-66	0	0	112.7	P93 D94 L100 K101	P93-Q97 WeakPolarHBondContact O-CB 3.47Å; P93-Q97 VanDerWaalsContact O-CG 3.23Å; P93-Q97 WeakPolarHBondContact O-CG 3.29Å; P93-Q97 PolarHBondContact O-N 3.41Å; D94-Q97 PolarHBondContact O-N 2.65Å; Q97-L100 PolarHBondContact O-N 3.04Å; Q97-K101 PolarHBondContact O-N 3.03Å; Q97-K101 VanDerWaalsContact O-N 3.1Å
98	N	98.1	Very high	97.1	Very high	88 Å²	88	73.5 Å²	73.5	47%	0.471	34%	0.344	S	S	.	.	H	α-helix	trans	-61.9	-48.9	175.6	-69.4	-18.7	0	0	0	110.8	D94 L95 L100 K101 D102	D94-N98 WeakPolarHBondContact O-CB 3.47Å; D94-N98 PolarHBondContact O-N 3.49Å; D94-N98 PolarHBondContact O-ND2 3.28Å; L95-N98 PolarHBondContact O-N 3.35Å; N98-L100 PolarHBondContact O-N 2.7Å; N98-K101 WeakPolarHBondContact O-CB 3.16Å; N98-K101 PolarHBondContact O-N 2.9Å; N98-K101 VanDerWaalsContact O-N 3.17Å; N98-D102 VanDerWaalsContact O-CG 3.26Å; N98-D102 PolarHBondContact O-N 2.84Å
99	W	98.1	Very high	97.1	Very high	26 Å²	26	70.1 Å²	70.1	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-57.4	-45.6	176.5	178	-99.5	0	0	0	113.4	L95 I96 K101 D102 Q103 E166 F167 E170	L95-W99 PolarHBondContact O-N 3.15Å; I96-W99 PolarHBondContact O-N 3.28Å; W99-K101 VanDerWaalsContact C-N 3.29Å; W99-K101 PolarHBondContact O-N 2.99Å; W99-D102 PolarHBondContact O-N 3.3Å; W99-Q103 HydrophobicContact CD2-CG 3.7Å; W99-Q103 VanDerWaalsContact CE2-CG 3.42Å; W99-Q103 HydrophobicContact CE3-CG 4.11Å; W99-Q103 HydrophobicContact CG-CG 4.26Å; W99-Q103 HydrophobicContact CH2-CG 4.03Å; W99-Q103 HydrophobicContact CZ2-CG 3.6Å; W99-Q103 HydrophobicContact CZ3-CG 4.27Å; W99-Q103 WeakPolarHBondContact O-CB 3.45Å; W99-Q103 WeakPolarHBondContact O-CG 3.48Å; W99-Q103 PolarHBondContact O-N 3.04Å; W99-E166 HydrophobicContact CH2-CG 3.94Å; W99-E166 HydrophobicContact CZ2-CB 4.37Å; W99-E166 HydrophobicContact CZ2-CG 3.86Å; W99-F167 HydrophobicContact CB-CD2 3.76Å; W99-F167 HydrophobicContact CB-CE2 3.73Å; W99-F167 AromaticContact CD1-CD2 3.49Å; W99-F167 VanDerWaalsContact CD1-CD2 3.49Å; W99-F167 HydrophobicContact CD2-CB 4.47Å; W99-F167 AromaticContact CD2-CD2 3.62Å; W99-F167 HydrophobicContact CD2-CD2 3.62Å; W99-F167 HydrophobicContact CD2-CE2 4.42Å; W99-F167 AromaticContact CE2-CD2 3.9Å; W99-F167 HydrophobicContact CE3-CD2 4.29Å; W99-F167 AromaticContact CG-CD2 3.34Å; W99-F167 HydrophobicContact CG-CD2 3.34Å; W99-F167 AromaticContact CG-CE2 3.87Å; W99-F167 HydrophobicContact CG-CE2 3.87Å; W99-F167 HydrophobicContact CG-CG 4.41Å; W99-F167 HydrophobicContact CZ2-CB 4.2Å; W99-F167 AromaticContact NE1-CD2 3.81Å; W99-E170 HydrophobicContact CH2-CB 4.23Å; W99-E170 HydrophobicContact CH2-CG 3.83Å; W99-E170 HydrophobicContact CZ3-CB 4.08Å; W99-E170 HydrophobicContact CZ3-CG 4.06Å
100	L	98	Very high	97.2	Very high	20 Å²	20	64.6 Å²	64.6	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-41.1	178	-72.1	174.4	0	0	0	111.8	I96 Q97 N98 K104 L105 H107 V108	I96-L100 HydrophobicContact CG2-CD1 4.04Å; I96-L100 HydrophobicContact CG2-CG 4.44Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.45Å; I96-L100 PolarHBondContact O-N 2.94Å; Q97-L100 PolarHBondContact O-N 3.04Å; N98-L100 PolarHBondContact O-N 2.7Å; L100-K104 CarbonylContact O-C 3.51Å; L100-K104 WeakPolarHBondContact O-CA 3.47Å; L100-K104 PolarHBondContact O-N 2.8Å; L100-L105 HydrophobicContact CD2-CB 3.76Å; L100-L105 PolarHBondContact O-N 3.17Å; L100-H107 VanDerWaalsContact CD2-C 3.41Å; L100-V108 HydrophobicContact CD2-CB 3.91Å; L100-V108 HydrophobicContact CD2-CG1 3.88Å; L100-V108 HydrophobicContact CG-CG1 4.23Å
101	K	97.8	Very high	97.3	Very high	162 Å²	162	64.6 Å²	64.6	70%	0.704	31%	0.307	S	S	*	.	H	α-helix	trans	-64.7	-48.5	176.1	-177.6	-172.3	175.3	-168.6	0	111.6	Q97 N98 W99 K104	Q97-K101 PolarHBondContact O-N 3.03Å; Q97-K101 VanDerWaalsContact O-N 3.1Å; N98-K101 WeakPolarHBondContact O-CB 3.16Å; N98-K101 PolarHBondContact O-N 2.9Å; N98-K101 VanDerWaalsContact O-N 3.17Å; W99-K101 VanDerWaalsContact C-N 3.29Å; W99-K101 PolarHBondContact O-N 2.99Å; K101-K104 PolarHBondContact O-N 3.42Å
102	D	97.5	Very high	97.3	Very high	112 Å²	112	68.5 Å²	68.5	60%	0.599	32%	0.322	S	S	*	.	H	α-helix	trans	-69.4	-43	-173.9	-64.8	-19.2	0	0	0	111.8	N98 W99 K104	N98-D102 VanDerWaalsContact O-CG 3.26Å; N98-D102 PolarHBondContact O-N 2.84Å; W99-D102 PolarHBondContact O-N 3.3Å; D102-K104 VanDerWaalsContact C-N 3.27Å; D102-K104 PolarHBondContact O-N 3.03Å
103	Q	96.8	Very high	97.3	Very high	84 Å²	84	65.8 Å²	65.8	39%	0.393	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.5	174.7	-57.9	-55.7	-25	0	0	113.8	W99 L105	W99-Q103 HydrophobicContact CD2-CG 3.7Å; W99-Q103 VanDerWaalsContact CE2-CG 3.42Å; W99-Q103 HydrophobicContact CE3-CG 4.11Å; W99-Q103 HydrophobicContact CG-CG 4.26Å; W99-Q103 HydrophobicContact CH2-CG 4.03Å; W99-Q103 HydrophobicContact CZ2-CG 3.6Å; W99-Q103 HydrophobicContact CZ3-CG 4.27Å; W99-Q103 WeakPolarHBondContact O-CB 3.45Å; W99-Q103 WeakPolarHBondContact O-CG 3.48Å; W99-Q103 PolarHBondContact O-N 3.04Å; Q103-L105 HydrophobicContact CB-CD1 3.79Å; Q103-L105 HydrophobicContact CB-CG 3.77Å; Q103-L105 HydrophobicContact CG-CD1 4.5Å; Q103-L105 PolarHBondContact O-N 3.31Å
104	K	96.7	Very high	97.3	Very high	192 Å²	192	66.7 Å²	66.7	84%	0.835	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	35.3	-176.5	-55.5	173.5	-176.2	174.9	0	113.1	L100 K101 D102	L100-K104 CarbonylContact O-C 3.51Å; L100-K104 WeakPolarHBondContact O-CA 3.47Å; L100-K104 PolarHBondContact O-N 2.8Å; K101-K104 PolarHBondContact O-N 3.42Å; D102-K104 VanDerWaalsContact C-N 3.27Å; D102-K104 PolarHBondContact O-N 3.03Å
105	L	95.2	Very high	97.3	Very high	44 Å²	44	62.8 Å²	62.8	23%	0.23	29%	0.288	C	S	.	.			trans	-92.6	147.7	179	-66	175	0	0	0	110.9	L100 Q103 D163	L100-L105 HydrophobicContact CD2-CB 3.76Å; L100-L105 PolarHBondContact O-N 3.17Å; Q103-L105 HydrophobicContact CB-CD1 3.79Å; Q103-L105 HydrophobicContact CB-CG 3.77Å; Q103-L105 HydrophobicContact CG-CD1 4.5Å; Q103-L105 PolarHBondContact O-N 3.31Å; L105-D163 HydrophobicContact CD1-CB 4.23Å
106	K	93.3	Very high	97.3	Very high	213 Å²	213	60.9 Å²	60.9	93%	0.926	28%	0.278	S	S	*	.	S	Bend	trans	-84.9	-24.1	173.7	-65	-177	179.9	-179.9	0	113.3
107	H	94.6	Very high	97.3	Very high	31 Å²	31	60.8 Å²	60.8	14%	0.144	28%	0.279	C	S	.	.			trans	-154.8	150.3	-172.5	177.1	50.4	0	0	0	110.2	L100 V193 Y194	L100-H107 VanDerWaalsContact CD2-C 3.41Å; H107-V193 PolarHBondContact NE2-O 2.86Å; H107-Y194 AromaticContact CE1-CE1 3.61Å; H107-Y194 AromaticContact CE1-CE2 3.75Å; H107-Y194 AromaticContact CE1-CZ 3.37Å
108	V	97.9	Very high	97.2	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.024	27%	0.273	C	S	.	.			trans	-142.1	135.8	168.9	66.6	0	0	0	0	107.7	I96 L100 V110 F167	I96-V108 HydrophobicContact CG2-CG1 3.8Å; L100-V108 HydrophobicContact CD2-CB 3.91Å; L100-V108 HydrophobicContact CD2-CG1 3.88Å; L100-V108 HydrophobicContact CG-CG1 4.23Å; V108-V110 PolarHBondContact O-N 3.29Å; V108-F167 HydrophobicContact CG2-CB 3.87Å; V108-F167 HydrophobicContact CG2-CG 4.18Å
109	G	98.1	Very high	97.1	Very high	2 Å²	2	56.4 Å²	56.4	2%	0.021	26%	0.258	C	S	.	.	S	Bend	trans	-76.9	39.5	-167.9	0	0	0	0	0	115.4	T164 V193 Y194 L195	G109-T164 VanDerWaalsContact CA-OG1 3.28Å; G109-T164 WeakPolarHBondContact CA-OG1 3.32Å; G109-T164 PolarHBondContact N-OG1 3.45Å; G109-T164 WeakPolarHBondContact O-CG2 3.42Å; G109-V193 VanDerWaalsContact CA-O 3.29Å; G109-V193 WeakPolarHBondContact CA-O 3.39Å; G109-Y194 CarbonylContact O-C 3.6Å; G109-Y194 WeakPolarHBondContact O-CA 3.43Å; G109-L195 PolarHBondContact O-N 3.04Å
110	V	98.4	Very high	96.9	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.012	28%	0.28	C	S	.	.			trans	-111.5	123.4	176	-177.5	0	0	0	0	110	F86 A91 I96 V108 T164 F167 I168	F86-V110 HydrophobicContact CE1-CG1 4.16Å; F86-V110 HydrophobicContact CZ-CG1 4.05Å; A91-V110 HydrophobicContact CB-CG1 3.72Å; I96-V110 HydrophobicContact CD1-CB 4.36Å; I96-V110 HydrophobicContact CD1-CG1 4.26Å; V108-V110 PolarHBondContact O-N 3.29Å; V110-T164 HydrophobicContact CG2-CG2 3.86Å; V110-F167 HydrophobicContact CB-CD1 4.33Å; V110-F167 HydrophobicContact CB-CE1 4.12Å; V110-F167 HydrophobicContact CG1-CE1 4.2Å; V110-F167 HydrophobicContact CG2-CD1 3.52Å; V110-F167 HydrophobicContact CG2-CE1 3.78Å; V110-I168 HydrophobicContact CG2-CG2 3.98Å
111	P	97.6	Very high	96.4	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-65.3	138.7	176.3	-15.7	28.7	0	0	0	110.4	Y87 D132 L134 Y194 L195 V196	Y87-P111 HydrophobicContact CE1-CB 4.08Å; Y87-P111 HydrophobicContact CE1-CG 4.37Å; Y87-P111 WeakPolarHBondContact CE1-O 3.35Å; P111-D132 HydrophobicContact CB-CB 4.4Å; P111-L134 HydrophobicContact CG-CD1 4.07Å; P111-Y194 HydrophobicContact CG-CD1 4.31Å; P111-L195 VanDerWaalsContact CD-O 3.29Å; P111-L195 WeakPolarHBondContact CD-O 3.4Å; P111-V196 HydrophobicContact CG-CG1 3.92Å
112	R	98.1	Very high	96	Very high	83 Å²	83	58 Å²	58	31%	0.313	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-75.1	137.4	179.8	-68.4	160.6	-64.3	179.9	7.5	111.2	P93 I96 W114 I131 D132	P93-R112 HydrophobicContact CG-CB 4.37Å; I96-R112 HydrophobicContact CD1-CG 3.77Å; R112-W114 HydrophobicContact CB-CZ2 4.15Å; R112-W114 VanDerWaalsContact O-CD1 3.28Å; R112-I131 WeakPolarHBondContact O-CA 3.18Å; R112-D132 WeakPolarHBondContact CB-OD2 3.29Å; R112-D132 IonicContact CZ-OD1 3.15Å; R112-D132 IonicContact CZ-OD2 3.69Å; R112-D132 PolarHBondContact N-OD2 2.87Å; R112-D132 IonicContact NE-OD1 3.71Å; R112-D132 PolarHBondContact NE-OD1 3.38Å; R112-D132 IonicContact NE-OD2 2.61Å; R112-D132 PolarHBondContact NE-OD2 3.21Å; R112-D132 IonicContact NH2-OD1 2.67Å; R112-D132 PolarHBondContact NH2-OD1 2.92Å; R112-D132 IonicContact NH2-OD2 2.64Å; R112-D132 PolarHBondContact NH2-OD2 3.49Å; R112-D132 VanDerWaalsContact NH2-OD2 3.17Å; R112-D132 PolarHBondContact O-N 3.06Å
113	Y	98.1	Very high	95.6	Very high	30 Å²	30	61.2 Å²	61.2	12%	0.118	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	126.2	168.7	172.9	-104.5	0	0	0	110.9	L84 M88 A91 P93 G115 S116 M129	L84-Y113 HydrophobicContact CD1-CD2 4.45Å; L84-Y113 HydrophobicContact CD1-CE2 3.72Å; M88-Y113 HydrophobicContact CG-CE1 4.2Å; M88-Y113 HydrophobicContact CG-CE2 4.03Å; A91-Y113 WeakPolarHBondContact O-CB 3.49Å; A91-Y113 PolarHBondContact O-N 3.47Å; P93-Y113 WeakPolarHBondContact CD-O 3.29Å; Y113-G115 VanDerWaalsContact CE2-C 3.49Å; Y113-G115 VanDerWaalsContact CE2-O 3.29Å; Y113-G115 WeakPolarHBondContact CE2-O 3.41Å; Y113-S116 WeakPolarHBondContact OH-CB 3.45Å; Y113-S116 PolarHBondContact OH-N 3.4Å; Y113-S116 PolarHBondContact OH-OG 2.9Å; Y113-M129 HydrophobicContact CD2-CG 4.15Å; Y113-M129 HydrophobicContact CD2-SD 4.41Å; Y113-M129 HydrophobicContact CE2-CG 4.16Å
114	W	98.3	Very high	95.3	Very high	60 Å²	60	62.2 Å²	62.2	23%	0.227	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-25.5	-177.7	-66.9	104	0	0	0	114.4	W37 Y68 P93 R112 V130 D132	W37-W114 HydrophobicContact CH2-CB 3.82Å; W37-W114 HydrophobicContact CZ2-CB 4.07Å; Y68-W114 AromaticContact CD1-CD1 3.56Å; Y68-W114 HydrophobicContact CD1-CD2 4.38Å; Y68-W114 HydrophobicContact CD1-CG 4.03Å; Y68-W114 AromaticContact CD1-NE1 3.64Å; Y68-W114 AromaticContact CE1-CD1 3.67Å; Y68-W114 AromaticContact CE1-CD2 3.75Å; Y68-W114 HydrophobicContact CE1-CD2 3.75Å; Y68-W114 AromaticContact CE1-CE2 3.5Å; Y68-W114 VanDerWaalsContact CE1-CE2 3.5Å; Y68-W114 HydrophobicContact CE1-CE3 4.47Å; Y68-W114 AromaticContact CE1-CG 3.87Å; Y68-W114 HydrophobicContact CE1-CG 3.87Å; Y68-W114 HydrophobicContact CE1-CZ2 4.03Å; Y68-W114 AromaticContact CE1-NE1 3.43Å; P93-W114 HydrophobicContact CG-CE3 4.33Å; P93-W114 HydrophobicContact CG-CH2 4.28Å; P93-W114 HydrophobicContact CG-CZ3 4.11Å; R112-W114 HydrophobicContact CB-CZ2 4.15Å; R112-W114 VanDerWaalsContact O-CD1 3.28Å; W114-V130 HydrophobicContact CB-CB 4.05Å; W114-V130 HydrophobicContact CB-CG1 3.87Å; W114-V130 PolarHBondContact N-O 2.88Å; W114-D132 PolarHBondContact NE1-OD1 3.33Å
115	G	97.8	Very high	95.1	Very high	4 Å²	4	59.7 Å²	59.7	4%	0.041	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	165.6	-179.2	0	0	0	0	0	112.8	Y113 V130	Y113-G115 VanDerWaalsContact CE2-C 3.49Å; Y113-G115 VanDerWaalsContact CE2-O 3.29Å; Y113-G115 WeakPolarHBondContact CE2-O 3.41Å; G115-V130 PolarHBondContact O-N 3.23Å
116	S	97.8	Very high	95	Very high	6 Å²	6	57.8 Å²	57.8	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	155	171.6	62.8	0	0	0	0	111.1	D31 T32 L84 Y113 F128	D31-S116 WeakPolarHBondContact CB-O 3.35Å; T32-S116 PolarHBondContact N-O 3.39Å; T32-S116 PolarHBondContact OG1-O 3Å; L84-S116 VanDerWaalsContact CD1-CB 3.45Å; Y113-S116 WeakPolarHBondContact OH-CB 3.45Å; Y113-S116 PolarHBondContact OH-N 3.4Å; Y113-S116 PolarHBondContact OH-OG 2.9Å; S116-F128 VanDerWaalsContact CA-O 3.27Å; S116-F128 WeakPolarHBondContact CA-O 3.39Å; S116-F128 VanDerWaalsContact CB-O 3.22Å; S116-F128 WeakPolarHBondContact CB-O 3.39Å
117	G	96.6	Very high	95.1	Very high	5 Å²	5	49.8 Å²	49.8	5%	0.052	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	-172.9	-178.4	0	0	0	0	0	113.8	F128	G117-F128 VanDerWaalsContact C-CD1 3.5Å; G117-F128 VanDerWaalsContact C-CE1 3.44Å; G117-F128 PolarHBondContact N-O 3.43Å; G117-F128 VanDerWaalsContact N-O 3.11Å; G117-F128 WeakPolarHBondContact O-CD1 3.07Å; G117-F128 PolarHBondContact O-N 3.28Å
118	L	96	Very high	95.2	Very high	73 Å²	73	48.4 Å²	48.4	38%	0.382	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.3	174.9	-67.5	164.3	0	0	0	107.8	R125 Y126 R127	L118-R125 HydrophobicContact CD2-CG 4.49Å; L118-Y126 CarbonylContact C-O 3.52Å; L118-Y126 WeakPolarHBondContact CA-O 3.42Å; L118-R127 HydrophobicContact CD2-CB 4.09Å
119	H	95.6	Very high	95.1	Very high	32 Å²	32	48.2 Å²	48.2	15%	0.148	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.7	-178.4	-167	57.9	0	0	0	109.8	F23 E27 L29 Y126 F128	F23-H119 AromaticContact CE1-CD2 3.55Å; E27-H119 IonicContact OE1-CD2 2.67Å; E27-H119 IonicContact OE1-CE1 3.37Å; E27-H119 IonicContact OE1-NE2 3.92Å; E27-H119 PolarHBondContact OE1-NE2 3.44Å; L29-H119 HydrophobicContact CG-CB 4.18Å; H119-Y126 PolarHBondContact N-O 2.92Å; H119-Y126 PolarHBondContact O-N 3.13Å; H119-F128 HydrophobicContact CB-CD1 4.21Å; H119-F128 HydrophobicContact CB-CE1 4.44Å
120	N	94	Very high	95.1	Very high	107 Å²	107	48.1 Å²	48.1	57%	0.572	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.9	180	-67.3	-17	0	0	0	109.5	K124 R125	N120-K124 WeakPolarHBondContact CA-O 3.45Å; N120-R125 WeakPolarHBondContact OD1-CG 3.4Å
121	K	89	Confident	95.1	Very high	64 Å²	64	48.8 Å²	48.8	28%	0.278	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	101.6	173.9	-170	-164.8	179.5	-160.3	0	108.3	E21 E22 F23 K124 Y126	E21-K121 IonicContact OE2-NZ 3.58Å; E21-K121 PolarHBondContact OE2-NZ 3.43Å; E22-K121 PolarHBondContact O-NZ 3.31Å; F23-K121 HydrophobicContact CD1-CD 4.05Å; F23-K121 HydrophobicContact CE1-CB 3.91Å; F23-K121 HydrophobicContact CE1-CD 3.7Å; F23-K121 HydrophobicContact CE1-CG 4.16Å; F23-K121 HydrophobicContact CZ-CB 4.42Å; F23-K121 HydrophobicContact CZ-CD 4.24Å; K121-K124 PolarHBondContact N-O 2.88Å; K121-K124 PolarHBondContact O-N 2.87Å; K121-Y126 HydrophobicContact CB-CD2 4.37Å; K121-Y126 HydrophobicContact CB-CE2 3.93Å
122	G	88.5	Confident	95	Very high	71 Å²	71	49.1 Å²	49.1	73%	0.732	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	-138.9	-161.7	0	0	0	0	0	110.6	K124	G122-K124 PolarHBondContact O-N 2.9Å; G122-K124 VanDerWaalsContact O-N 3.17Å
123	D	88.6	Confident	95	Very high	179 Å²	179	47 Å²	47	96%	0.957	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	0.7	-179.9	-49.4	-48.8	0	0	0	114.3
124	K	90.8	Very high	94.9	Very high	105 Å²	105	46.8 Å²	46.8	46%	0.457	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	129.5	-175.7	-66.1	177.4	-172.2	172.4	0	111.2	E21 N120 K121 G122 Y126	E21-K124 IonicContact OE1-NZ 3.4Å; E21-K124 PolarHBondContact OE1-NZ 2.98Å; N120-K124 WeakPolarHBondContact CA-O 3.45Å; K121-K124 PolarHBondContact N-O 2.88Å; K121-K124 PolarHBondContact O-N 2.87Å; G122-K124 PolarHBondContact O-N 2.9Å; G122-K124 VanDerWaalsContact O-N 3.17Å; K124-Y126 HydrophobicContact CB-CD2 4.4Å; K124-Y126 HydrophobicContact CB-CE2 3.46Å; K124-Y126 VanDerWaalsContact CB-CE2 3.46Å; K124-Y126 WeakPolarHBondContact CD-OH 3.45Å; K124-Y126 WeakPolarHBondContact O-CD2 3.17Å; K124-Y126 WeakPolarHBondContact O-CE2 3.36Å
125	R	93.4	Very high	94.7	Very high	139 Å²	139	45.4 Å²	45.4	53%	0.525	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.2	176.5	-169.4	175	-159.7	-175.6	6.5	110.8	S75 L118 N120	S75-R125 PolarHBondContact N-O 3.33Å; S75-R125 PolarHBondContact OG-O 2.78Å; L118-R125 HydrophobicContact CD2-CG 4.49Å; N120-R125 WeakPolarHBondContact OD1-CG 3.4Å
126	Y	93.6	Very high	94.6	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	143.9	-177.6	-62.4	-92	0	0	0	110	A20 E21 F23 V72 E73 P74 L118 H119 K121 K124	A20-Y126 HydrophobicContact CB-CD1 4.37Å; A20-Y126 HydrophobicContact CB-CE1 4.17Å; E21-Y126 WeakPolarHBondContact CG-OH 3.36Å; F23-Y126 HydrophobicContact CE2-CD1 4.28Å; F23-Y126 HydrophobicContact CE2-CG 4.3Å; F23-Y126 HydrophobicContact CZ-CD1 4.19Å; F23-Y126 AromaticContact CZ-CD2 3.7Å; F23-Y126 HydrophobicContact CZ-CD2 3.7Å; F23-Y126 HydrophobicContact CZ-CE1 4.45Å; F23-Y126 HydrophobicContact CZ-CE2 4Å; F23-Y126 AromaticContact CZ-CG 3.8Å; F23-Y126 HydrophobicContact CZ-CG 3.8Å; V72-Y126 HydrophobicContact CG1-CD1 4.08Å; V72-Y126 HydrophobicContact CG1-CG 4.24Å; E73-Y126 CarbonylContact O-C 3.52Å; E73-Y126 WeakPolarHBondContact O-CA 3.39Å; P74-Y126 HydrophobicContact CG-CD1 4.47Å; P74-Y126 HydrophobicContact CG-CE1 4.27Å; L118-Y126 CarbonylContact C-O 3.52Å; L118-Y126 WeakPolarHBondContact CA-O 3.42Å; H119-Y126 PolarHBondContact N-O 2.92Å; H119-Y126 PolarHBondContact O-N 3.13Å; K121-Y126 HydrophobicContact CB-CD2 4.37Å; K121-Y126 HydrophobicContact CB-CE2 3.93Å; K124-Y126 HydrophobicContact CB-CD2 4.4Å; K124-Y126 HydrophobicContact CB-CE2 3.46Å; K124-Y126 VanDerWaalsContact CB-CE2 3.46Å; K124-Y126 WeakPolarHBondContact CD-OH 3.45Å; K124-Y126 WeakPolarHBondContact O-CD2 3.17Å; K124-Y126 WeakPolarHBondContact O-CE2 3.36Å
127	R	94.9	Very high	94.5	Very high	45 Å²	45	47.7 Å²	47.7	17%	0.17	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.5	167.3	-177.4	-174.2	-51.5	-72.1	-5.8	108	V72 E73 S75 L80 L84 L118	V72-R127 WeakPolarHBondContact CA-O 3.38Å; E73-R127 PolarHBondContact N-O 3.2Å; E73-R127 PolarHBondContact O-N 3.43Å; S75-R127 PolarHBondContact O-NH2 3.28Å; L80-R127 HydrophobicContact CD2-CB 4.18Å; L80-R127 HydrophobicContact CD2-CG 3.97Å; L80-R127 WeakPolarHBondContact CD2-O 3.38Å; L80-R127 HydrophobicContact CG-CG 4.37Å; L84-R127 HydrophobicContact CD2-CG 4.29Å; L118-R127 HydrophobicContact CD2-CB 4.09Å
128	F	95.8	Very high	94.6	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153.5	173.8	76.3	-93.2	0	0	0	112	L29 T30 D31 I70 K71 V72 S116 G117 H119 V130	L29-F128 HydrophobicContact CB-CD1 4.37Å; L29-F128 HydrophobicContact CB-CE1 3.95Å; L29-F128 HydrophobicContact CB-CE2 4.16Å; L29-F128 HydrophobicContact CB-CZ 3.84Å; L29-F128 HydrophobicContact CD2-CB 4.02Å; L29-F128 HydrophobicContact CD2-CD1 3.86Å; L29-F128 HydrophobicContact CD2-CD2 4.12Å; L29-F128 HydrophobicContact CD2-CE1 4.3Å; L29-F128 HydrophobicContact CD2-CG 3.75Å; L29-F128 HydrophobicContact CG-CD1 4.28Å; L29-F128 HydrophobicContact CG-CE1 4.28Å; T30-F128 WeakPolarHBondContact O-CZ 3.16Å; D31-F128 HydrophobicContact CB-CE2 4.17Å; D31-F128 HydrophobicContact CB-CZ 4.01Å; I70-F128 HydrophobicContact CG2-CB 3.95Å; I70-F128 HydrophobicContact CG2-CD2 4.24Å; I70-F128 HydrophobicContact CG2-CG 4.48Å; K71-F128 VanDerWaalsContact O-CA 3.24Å; K71-F128 WeakPolarHBondContact O-CA 3.09Å; V72-F128 HydrophobicContact CG2-CB 4.08Å; S116-F128 VanDerWaalsContact CA-O 3.27Å; S116-F128 WeakPolarHBondContact CA-O 3.39Å; S116-F128 VanDerWaalsContact CB-O 3.22Å; S116-F128 WeakPolarHBondContact CB-O 3.39Å; G117-F128 VanDerWaalsContact C-CD1 3.5Å; G117-F128 VanDerWaalsContact C-CE1 3.44Å; G117-F128 PolarHBondContact N-O 3.43Å; G117-F128 VanDerWaalsContact N-O 3.11Å; G117-F128 WeakPolarHBondContact O-CD1 3.07Å; G117-F128 PolarHBondContact O-N 3.28Å; H119-F128 HydrophobicContact CB-CD1 4.21Å; H119-F128 HydrophobicContact CB-CE1 4.44Å; F128-V130 HydrophobicContact CD2-CG2 4.24Å; F128-V130 HydrophobicContact CE2-CG2 4.07Å
129	M	96.6	Very high	94.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.9	175.9	-176.8	177.1	65.9	0	0	109.6	I70 K71 L80 E83 L84 Y87 Y113 I131	I70-M129 WeakPolarHBondContact CA-O 3.48Å; K71-M129 PolarHBondContact N-O 2.92Å; K71-M129 PolarHBondContact O-N 3.35Å; L80-M129 HydrophobicContact CD1-CB 4.24Å; L80-M129 HydrophobicContact CD1-CE 4.04Å; E83-M129 HydrophobicContact CG-CE 4.12Å; L84-M129 HydrophobicContact CB-SD 4.23Å; L84-M129 HydrophobicContact CD1-CB 4.24Å; L84-M129 HydrophobicContact CD1-CG 3.82Å; L84-M129 HydrophobicContact CD1-SD 3.66Å; Y87-M129 HydrophobicContact CD2-CE 3.54Å; Y87-M129 HydrophobicContact CD2-SD 3.51Å; Y87-M129 VanDerWaalsContact CD2-SD 3.51Å; Y87-M129 HydrophobicContact CE2-CE 3.65Å; Y87-M129 HydrophobicContact CE2-SD 4.26Å; Y87-M129 HydrophobicContact CG-CE 4.27Å; Y87-M129 HydrophobicContact CG-SD 3.8Å; Y113-M129 HydrophobicContact CD2-CG 4.15Å; Y113-M129 HydrophobicContact CD2-SD 4.41Å; Y113-M129 HydrophobicContact CE2-CG 4.16Å; M129-I131 HydrophobicContact CE-CD1 4.5Å; M129-I131 HydrophobicContact CE-CG2 3.89Å; M129-I131 HydrophobicContact CG-CG2 4.06Å; M129-I131 HydrophobicContact SD-CG2 4.18Å
130	V	98.1	Very high	94.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.2	178.2	-166.9	0	0	0	0	108.6	W37 Y68 V69 I70 W114 G115 F128	W37-V130 HydrophobicContact CD2-CG1 4.01Å; W37-V130 HydrophobicContact CD2-CG2 3.87Å; W37-V130 HydrophobicContact CE3-CG1 3.85Å; W37-V130 HydrophobicContact CG-CG2 3.94Å; W37-V130 HydrophobicContact CH2-CG1 4Å; W37-V130 HydrophobicContact CZ2-CB 4.46Å; W37-V130 HydrophobicContact CZ2-CG1 4.15Å; W37-V130 HydrophobicContact CZ2-CG2 4.34Å; W37-V130 HydrophobicContact CZ3-CG1 3.85Å; Y68-V130 HydrophobicContact CG-CG1 4.39Å; V69-V130 WeakPolarHBondContact O-CA 3.45Å; I70-V130 HydrophobicContact CD1-CG2 3.97Å; I70-V130 HydrophobicContact CG1-CB 4.2Å; I70-V130 HydrophobicContact CG1-CG1 4.15Å; I70-V130 HydrophobicContact CG1-CG2 3.76Å; W114-V130 HydrophobicContact CB-CB 4.05Å; W114-V130 HydrophobicContact CB-CG1 3.87Å; W114-V130 PolarHBondContact N-O 2.88Å; G115-V130 PolarHBondContact O-N 3.23Å; F128-V130 HydrophobicContact CD2-CG2 4.24Å; F128-V130 HydrophobicContact CE2-CG2 4.07Å
131	I	97.3	Very high	94.8	Very high	16 Å²	16	45.7 Å²	45.7	8%	0.082	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	168.6	177.5	59.4	176.2	0	0	0	111.3	Y68 V69 Y87 R112 M129	Y68-I131 WeakPolarHBondContact CA-O 3.36Å; V69-I131 HydrophobicContact CG2-CD1 4.19Å; V69-I131 HydrophobicContact CG2-CG1 3.57Å; V69-I131 PolarHBondContact N-O 2.81Å; V69-I131 PolarHBondContact O-N 3.2Å; Y87-I131 HydrophobicContact CD1-CG2 4.06Å; Y87-I131 HydrophobicContact CE1-CG2 3.97Å; Y87-I131 HydrophobicContact CG-CG2 4.49Å; R112-I131 WeakPolarHBondContact O-CA 3.18Å; M129-I131 HydrophobicContact CE-CD1 4.5Å; M129-I131 HydrophobicContact CE-CG2 3.89Å; M129-I131 HydrophobicContact CG-CG2 4.06Å; M129-I131 HydrophobicContact SD-CG2 4.18Å
132	D	97	Very high	95.2	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.043	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	139.4	171	-73.8	-35.1	0	0	0	112.5	P111 R112 W114	P111-D132 HydrophobicContact CB-CB 4.4Å; R112-D132 WeakPolarHBondContact CB-OD2 3.29Å; R112-D132 IonicContact CZ-OD1 3.15Å; R112-D132 IonicContact CZ-OD2 3.69Å; R112-D132 PolarHBondContact N-OD2 2.87Å; R112-D132 IonicContact NE-OD1 3.71Å; R112-D132 PolarHBondContact NE-OD1 3.38Å; R112-D132 IonicContact NE-OD2 2.61Å; R112-D132 PolarHBondContact NE-OD2 3.21Å; R112-D132 IonicContact NH2-OD1 2.67Å; R112-D132 PolarHBondContact NH2-OD1 2.92Å; R112-D132 IonicContact NH2-OD2 2.64Å; R112-D132 PolarHBondContact NH2-OD2 3.49Å; R112-D132 VanDerWaalsContact NH2-OD2 3.17Å; R112-D132 PolarHBondContact O-N 3.06Å; W114-D132 PolarHBondContact NE1-OD1 3.33Å
133	R	96.6	Very high	95.6	Very high	39 Å²	39	44.4 Å²	44.4	15%	0.147	21%	0.213	C	C	.	.			trans	-76.4	133.5	167.3	-177.3	179.7	172.6	-167.9	-3.3	111.3	L53 P64 D65 A66 P67 V69 H187	L53-R133 VanDerWaalsContact CD2-CZ 3.47Å; P64-R133 VanDerWaalsContact C-NH1 3.28Å; P64-R133 PolarHBondContact O-NH1 2.99Å; P64-R133 PolarHBondContact O-NH2 3.34Å; D65-R133 VanDerWaalsContact C-NH1 3.33Å; A66-R133 WeakPolarHBondContact O-CD 3.19Å; A66-R133 PolarHBondContact O-NH1 3.26Å; P67-R133 VanDerWaalsContact O-CB 3.3Å; P67-R133 WeakPolarHBondContact O-CB 3.3Å; P67-R133 PolarHBondContact O-N 2.88Å; V69-R133 HydrophobicContact CG1-CB 3.88Å; V69-R133 HydrophobicContact CG1-CG 3.81Å; R133-H187 HydrophobicContact CG-CB 4.4Å; R133-H187 PolarHBondContact NH1-NE2 2.77Å; R133-H187 PolarHBondContact NH2-CE1 2.76Å; R133-H187 PolarHBondContact NH2-NE2 2.78Å
134	L	96.3	Very high	95.9	Very high	25 Å²	25	41.3 Å²	41.3	13%	0.131	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	170.2	176.3	-60.6	173.7	0	0	0	111.4	P111 L184 Y194 V196	P111-L134 HydrophobicContact CG-CD1 4.07Å; L134-L184 HydrophobicContact CB-CB 3.95Å; L134-L184 HydrophobicContact CB-CD2 3.83Å; L134-L184 HydrophobicContact CD1-CB 3.99Å; L134-L184 HydrophobicContact CD1-CD2 4.21Å; L134-Y194 HydrophobicContact CD1-CG 4.2Å; L134-Y194 HydrophobicContact CD2-CD1 4.14Å; L134-Y194 HydrophobicContact CD2-CD2 3.42Å; L134-Y194 VanDerWaalsContact CD2-CD2 3.42Å; L134-Y194 HydrophobicContact CD2-CE1 4.41Å; L134-Y194 HydrophobicContact CD2-CE2 3.75Å; L134-Y194 HydrophobicContact CD2-CG 3.63Å; L134-V196 HydrophobicContact CD1-CG1 3.5Å; L134-V196 VanDerWaalsContact CD1-CG1 3.5Å
135	G	94.7	Very high	96.1	Very high	30 Å²	30	36.5 Å²	36.5	31%	0.309	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-139.5	-179.9	0	0	0	0	0	112.8	L185	G135-L185 WeakPolarHBondContact CA-O 3.41Å; G135-L185 PolarHBondContact N-O 3.43Å
136	T	94.7	Very high	96.2	Very high	44 Å²	44	32.1 Å²	32.1	27%	0.27	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	147.8	179.5	-172.9	0	0	0	0	112.2	K141 L184 L185	T136-K141 HydrophobicContact CG2-CD 4.38Å; T136-K141 HydrophobicContact CG2-CG 4.22Å; T136-L184 WeakPolarHBondContact O-CA 3.34Å; T136-L185 HydrophobicContact CG2-CD1 4.21Å; T136-L185 PolarHBondContact O-N 3.21Å
137	D	96.4	Very high	96.3	Very high	14 Å²	14	37.5 Å²	37.5	8%	0.075	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	158.3	167	60.7	88.7	0	0	0	112.2	Q139 K140 L183 L184	D137-Q139 VanDerWaalsContact C-N 3.33Å; D137-Q139 WeakPolarHBondContact OD1-CB 3.45Å; D137-Q139 PolarHBondContact OD1-N 2.97Å; D137-K140 WeakPolarHBondContact OD1-CG 3.39Å; D137-K140 PolarHBondContact OD1-N 3.45Å; D137-K140 IonicContact OD2-NZ 2.65Å; D137-K140 PolarHBondContact OD2-NZ 3.37Å; D137-L183 CarbonylContact C-O 3.6Å; D137-L183 WeakPolarHBondContact CA-O 3.17Å; D137-L184 HydrophobicContact CB-CD1 3.86Å; D137-L184 HydrophobicContact CB-CG 4.16Å
138	L	97.9	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-78.1	-15.1	178.5	-61.1	-166.3	0	0	0	113	K141 F142 L157 A180 L183 L185 V193 F341	L138-K141 HydrophobicContact CD2-CG 4.42Å; L138-K141 CarbonylContact O-C 3.54Å; L138-K141 PolarHBondContact O-N 3.08Å; L138-F142 VanDerWaalsContact O-CB 3.28Å; L138-F142 WeakPolarHBondContact O-CB 3.2Å; L138-F142 PolarHBondContact O-N 3.49Å; L138-L157 HydrophobicContact CD1-CD1 3.87Å; L138-L157 HydrophobicContact CD1-CD2 3.67Å; L138-L157 HydrophobicContact CD1-CG 4.44Å; L138-A180 CarbonylContact C-O 3.6Å; L138-A180 WeakPolarHBondContact CA-O 3.47Å; L138-A180 HydrophobicContact CB-CB 4.2Å; L138-A180 WeakPolarHBondContact CB-O 3.4Å; L138-A180 PolarHBondContact N-O 2.72Å; L138-A180 VanDerWaalsContact N-O 3.11Å; L138-L183 HydrophobicContact CB-CB 4.18Å; L138-L183 HydrophobicContact CD1-CB 3.73Å; L138-L183 HydrophobicContact CD1-CD1 3.99Å; L138-L183 HydrophobicContact CG-CB 3.75Å; L138-L183 WeakPolarHBondContact CG-O 3.26Å; L138-L183 PolarHBondContact N-O 2.89Å; L138-L185 HydrophobicContact CD2-CD1 4.43Å; L138-L185 HydrophobicContact CD2-CD2 3.8Å; L138-L185 HydrophobicContact CD2-CG 3.88Å; L138-V193 HydrophobicContact CD1-CG2 4.08Å; L138-F341 HydrophobicContact CD2-CE1 3.74Å; L138-F341 HydrophobicContact CD2-CZ 3.55Å
139	Q	97.4	Very high	96.5	Very high	53 Å²	53	39.1 Å²	39.1	25%	0.248	20%	0.202	C	C	.	.	H	α-helix	trans	-65.7	-45.2	174	178.6	62.5	32.4	0	0	110.3	D137 K141 F142 E143 A180	D137-Q139 VanDerWaalsContact C-N 3.33Å; D137-Q139 WeakPolarHBondContact OD1-CB 3.45Å; D137-Q139 PolarHBondContact OD1-N 2.97Å; Q139-K141 VanDerWaalsContact C-N 3.32Å; Q139-K141 PolarHBondContact O-N 3.45Å; Q139-F142 WeakPolarHBondContact O-CB 3.46Å; Q139-F142 PolarHBondContact O-N 2.79Å; Q139-E143 PolarHBondContact NE2-OE1 2.9Å; Q139-E143 WeakPolarHBondContact O-CG 3.23Å; Q139-E143 PolarHBondContact O-N 3.21Å; Q139-A180 HydrophobicContact CB-CB 4.13Å; Q139-A180 PolarHBondContact N-O 3.32Å; Q139-A180 VanDerWaalsContact N-O 3.11Å
140	K	96.3	Very high	96.5	Very high	76 Å²	76	40.5 Å²	40.5	33%	0.33	21%	0.211	S	C	.	.	H	α-helix	trans	-57.4	-44.4	170.1	-70.5	-176.6	-175.5	95.6	0	111.7	D137 F142 E143 E144	D137-K140 WeakPolarHBondContact OD1-CG 3.39Å; D137-K140 PolarHBondContact OD1-N 3.45Å; D137-K140 IonicContact OD2-NZ 2.65Å; D137-K140 PolarHBondContact OD2-NZ 3.37Å; K140-F142 VanDerWaalsContact C-N 3.33Å; K140-F142 PolarHBondContact O-N 2.77Å; K140-E143 PolarHBondContact O-N 3.14Å; K140-E144 WeakPolarHBondContact O-CB 3.36Å; K140-E144 VanDerWaalsContact O-CG 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.47Å; K140-E144 PolarHBondContact O-N 3.35Å
141	K	97.4	Very high	96.4	Very high	46 Å²	46	43.8 Å²	43.8	20%	0.2	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-37.3	176.1	-69.7	-48.5	-167.7	-173	0	113.4	T136 L138 Q139 E144 C145 F149 F341	T136-K141 HydrophobicContact CG2-CD 4.38Å; T136-K141 HydrophobicContact CG2-CG 4.22Å; L138-K141 HydrophobicContact CD2-CG 4.42Å; L138-K141 CarbonylContact O-C 3.54Å; L138-K141 PolarHBondContact O-N 3.08Å; Q139-K141 VanDerWaalsContact C-N 3.32Å; Q139-K141 PolarHBondContact O-N 3.45Å; K141-E144 WeakPolarHBondContact CD-OE2 3.08Å; K141-E144 IonicContact NZ-OE1 2.73Å; K141-E144 IonicContact NZ-OE2 3.28Å; K141-E144 PolarHBondContact NZ-OE2 3Å; K141-E144 PolarHBondContact O-N 2.91Å; K141-C145 WeakPolarHBondContact O-CB 3.2Å; K141-C145 PolarHBondContact O-N 3.13Å; K141-C145 PolarHBondContact O-SG 3.43Å; K141-F149 HydrophobicContact CB-CE1 4.08Å; K141-F149 HydrophobicContact CB-CZ 4.02Å; K141-F341 HydrophobicContact CB-CD1 3.65Å; K141-F341 HydrophobicContact CB-CE1 3.88Å; K141-F341 HydrophobicContact CB-CG 4.33Å; K141-F341 HydrophobicContact CD-CG 4.39Å; K141-F341 HydrophobicContact CG-CD1 3.96Å; K141-F341 HydrophobicContact CG-CE1 4.12Å; K141-F341 HydrophobicContact CG-CG 4.23Å
142	F	97.3	Very high	96.5	Very high	6 Å²	6	45 Å²	45	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-42.8	177.3	-176.4	-119.8	0	0	0	110.7	L138 Q139 K140 C145 G146 K147 F149	L138-F142 VanDerWaalsContact O-CB 3.28Å; L138-F142 WeakPolarHBondContact O-CB 3.2Å; L138-F142 PolarHBondContact O-N 3.49Å; Q139-F142 WeakPolarHBondContact O-CB 3.46Å; Q139-F142 PolarHBondContact O-N 2.79Å; K140-F142 VanDerWaalsContact C-N 3.33Å; K140-F142 PolarHBondContact O-N 2.77Å; F142-C145 PolarHBondContact O-N 2.63Å; F142-G146 PolarHBondContact O-N 3.46Å; F142-K147 HydrophobicContact CD1-CB 4.34Å; F142-K147 HydrophobicContact CD1-CG 4.35Å; F142-K147 HydrophobicContact CE1-CB 3.85Å; F142-K147 HydrophobicContact CE1-CG 4.17Å; F142-K147 HydrophobicContact CE2-CB 4.49Å; F142-K147 VanDerWaalsContact CE2-O 3.22Å; F142-K147 WeakPolarHBondContact CE2-O 3.16Å; F142-K147 VanDerWaalsContact CZ-C 3.44Å; F142-K147 HydrophobicContact CZ-CB 3.94Å; F142-K147 WeakPolarHBondContact CZ-O 3.29Å; F142-K147 WeakPolarHBondContact O-CA 3.33Å; F142-K147 PolarHBondContact O-N 2.77Å; F142-F149 VanDerWaalsContact CA-CE1 3.46Å; F142-F149 VanDerWaalsContact CA-CZ 3.47Å; F142-F149 HydrophobicContact CB-CE1 4.1Å; F142-F149 HydrophobicContact CB-CE2 4.07Å; F142-F149 HydrophobicContact CB-CZ 3.63Å; F142-F149 HydrophobicContact CD2-CD1 4.39Å; F142-F149 HydrophobicContact CD2-CD2 4.1Å; F142-F149 HydrophobicContact CD2-CE1 4.36Å; F142-F149 HydrophobicContact CD2-CE2 4.04Å; F142-F149 HydrophobicContact CD2-CG 4.27Å; F142-F149 HydrophobicContact CD2-CZ 4.18Å; F142-F149 HydrophobicContact CG-CE2 4.49Å; F142-F149 HydrophobicContact CG-CZ 4.41Å
143	E	96.4	Very high	96.5	Very high	103 Å²	103	44.8 Å²	44.8	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-65	-45.9	174	-70.6	168.2	-166.6	0	0	112.3	Q139 K140 C145 G146	Q139-E143 PolarHBondContact NE2-OE1 2.9Å; Q139-E143 WeakPolarHBondContact O-CG 3.23Å; Q139-E143 PolarHBondContact O-N 3.21Å; K140-E143 PolarHBondContact O-N 3.14Å; E143-C145 VanDerWaalsContact C-N 3.27Å; E143-C145 PolarHBondContact O-N 3.2Å; E143-G146 PolarHBondContact O-N 2.76Å
144	E	95.1	Very high	96.6	Very high	113 Å²	113	42.9 Å²	42.9	53%	0.528	22%	0.219	S	C	.	.	H	α-helix	trans	-58.1	-35.1	174.2	-73.8	171.3	-160.4	0	0	112.8	K140 K141 G146	K140-E144 WeakPolarHBondContact O-CB 3.36Å; K140-E144 VanDerWaalsContact O-CG 3.31Å; K140-E144 WeakPolarHBondContact O-CG 3.47Å; K140-E144 PolarHBondContact O-N 3.35Å; K141-E144 WeakPolarHBondContact CD-OE2 3.08Å; K141-E144 IonicContact NZ-OE1 2.73Å; K141-E144 IonicContact NZ-OE2 3.28Å; K141-E144 PolarHBondContact NZ-OE2 3Å; K141-E144 PolarHBondContact O-N 2.91Å; E144-G146 PolarHBondContact O-N 3.15Å
145	C	94.8	Very high	96.8	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.034	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6.9	177.3	-62.7	0	0	0	0	114	K141 F142 E143 K148 F149	K141-C145 WeakPolarHBondContact O-CB 3.2Å; K141-C145 PolarHBondContact O-N 3.13Å; K141-C145 PolarHBondContact O-SG 3.43Å; F142-C145 PolarHBondContact O-N 2.63Å; E143-C145 VanDerWaalsContact C-N 3.27Å; E143-C145 PolarHBondContact O-N 3.2Å; C145-K148 WeakPolarHBondContact CB-O 3.28Å; C145-F149 HydrophobicContact CB-CD1 4.03Å; C145-F149 HydrophobicContact CB-CE1 4.2Å
146	G	95	Very high	96.9	Very high	46 Å²	46	40.3 Å²	40.3	47%	0.474	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	29.9	179.9	0	0	0	0	0	114	F142 E143 E144 K148	F142-G146 PolarHBondContact O-N 3.46Å; E143-G146 PolarHBondContact O-N 2.76Å; E144-G146 PolarHBondContact O-N 3.15Å; G146-K148 VanDerWaalsContact C-N 3.29Å; G146-K148 PolarHBondContact O-N 3.03Å
147	K	95.9	Very high	97.1	Very high	117 Å²	117	38.2 Å²	38.2	51%	0.509	19%	0.186	S	C	.	.	S	Bend	trans	58.2	34.5	-174.7	-59.1	-172.6	177	-171.1	0	114	F142 G257	F142-K147 HydrophobicContact CD1-CB 4.34Å; F142-K147 HydrophobicContact CD1-CG 4.35Å; F142-K147 HydrophobicContact CE1-CB 3.85Å; F142-K147 HydrophobicContact CE1-CG 4.17Å; F142-K147 HydrophobicContact CE2-CB 4.49Å; F142-K147 VanDerWaalsContact CE2-O 3.22Å; F142-K147 WeakPolarHBondContact CE2-O 3.16Å; F142-K147 VanDerWaalsContact CZ-C 3.44Å; F142-K147 HydrophobicContact CZ-CB 3.94Å; F142-K147 WeakPolarHBondContact CZ-O 3.29Å; F142-K147 WeakPolarHBondContact O-CA 3.33Å; F142-K147 PolarHBondContact O-N 2.77Å; K147-G257 WeakPolarHBondContact O-CA 3.47Å
148	K	96.7	Very high	97.3	Very high	76 Å²	76	37.5 Å²	37.5	33%	0.33	18%	0.182	S	C	.	.			trans	-147	140.7	167.3	-69.6	-168.6	173.4	-123.5	0	110.1	C145 G146 W254 L255 C256 V344	C145-K148 WeakPolarHBondContact CB-O 3.28Å; G146-K148 VanDerWaalsContact C-N 3.29Å; G146-K148 PolarHBondContact O-N 3.03Å; K148-W254 CarbonylContact C-O 3.57Å; K148-L255 PolarHBondContact NZ-O 2.76Å; K148-C256 WeakPolarHBondContact CE-O 3.2Å; K148-C256 VanDerWaalsContact NZ-C 3.34Å; K148-C256 PolarHBondContact NZ-O 2.77Å; K148-V344 HydrophobicContact CB-CB 4.47Å; K148-V344 HydrophobicContact CB-CG2 4.25Å
149	F	97.9	Very high	97.3	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.018	18%	0.182	C	C	.	.			trans	-105.6	144.9	170.5	-74	-33.4	0	0	0	111.1	K141 F142 C145 L153 V154 L157 W254 F341	K141-F149 HydrophobicContact CB-CE1 4.08Å; K141-F149 HydrophobicContact CB-CZ 4.02Å; F142-F149 VanDerWaalsContact CA-CE1 3.46Å; F142-F149 VanDerWaalsContact CA-CZ 3.47Å; F142-F149 HydrophobicContact CB-CE1 4.1Å; F142-F149 HydrophobicContact CB-CE2 4.07Å; F142-F149 HydrophobicContact CB-CZ 3.63Å; F142-F149 HydrophobicContact CD2-CD1 4.39Å; F142-F149 HydrophobicContact CD2-CD2 4.1Å; F142-F149 HydrophobicContact CD2-CE1 4.36Å; F142-F149 HydrophobicContact CD2-CE2 4.04Å; F142-F149 HydrophobicContact CD2-CG 4.27Å; F142-F149 HydrophobicContact CD2-CZ 4.18Å; F142-F149 HydrophobicContact CG-CE2 4.49Å; F142-F149 HydrophobicContact CG-CZ 4.41Å; C145-F149 HydrophobicContact CB-CD1 4.03Å; C145-F149 HydrophobicContact CB-CE1 4.2Å; F149-L153 HydrophobicContact CB-CD2 3.89Å; F149-L153 HydrophobicContact CB-CG 4.4Å; F149-L153 HydrophobicContact CD1-CD2 3.59Å; F149-L153 HydrophobicContact CD2-CD2 4.27Å; F149-L153 HydrophobicContact CE1-CD2 4.12Å; F149-L153 HydrophobicContact CG-CD2 3.67Å; F149-L153 HydrophobicContact CG-CG 4.46Å; F149-V154 HydrophobicContact CB-CG2 3.66Å; F149-L157 HydrophobicContact CD2-CD1 4.35Å; F149-L157 HydrophobicContact CE2-CD1 4.41Å; F149-W254 HydrophobicContact CB-CB 4.47Å; F149-W254 HydrophobicContact CD2-CB 3.91Å; F149-W254 HydrophobicContact CD2-CD2 4.43Å; F149-W254 AromaticContact CD2-CG 3.94Å; F149-W254 HydrophobicContact CD2-CG 3.94Å; F149-W254 HydrophobicContact CE2-CG 4.37Å; F149-W254 PolarHBondContact N-O 3.39Å; F149-F341 HydrophobicContact CD1-CD1 4.31Å; F149-F341 AromaticContact CE1-CD1 3.7Å; F149-F341 HydrophobicContact CE1-CD1 3.7Å; F149-F341 HydrophobicContact CE1-CE1 4.03Å; F149-F341 HydrophobicContact CZ-CD1 4.14Å; F149-F341 HydrophobicContact CZ-CE1 4.01Å
150	P	96.8	Very high	97.4	Very high	29 Å²	29	37 Å²	37	19%	0.188	18%	0.178	C	C	.	.			trans	-57.1	146.8	171.2	-23.8	32.8	0	0	0	112.4	K152 L153 V154 T342 V344	P150-K152 VanDerWaalsContact C-N 3.32Å; P150-K152 PolarHBondContact O-N 3.18Å; P150-L153 HydrophobicContact CB-CB 4.44Å; P150-L153 WeakPolarHBondContact O-CB 3.34Å; P150-L153 PolarHBondContact O-N 3.04Å; P150-V154 PolarHBondContact O-N 2.87Å; P150-V154 VanDerWaalsContact O-N 3.08Å; P150-T342 WeakPolarHBondContact CG-OG1 3.49Å; P150-V344 HydrophobicContact CG-CG2 4.14Å
151	R	97.3	Very high	97.5	Very high	70 Å²	70	33.4 Å²	33.4	26%	0.264	16%	0.162	S	C	.	.	H	α-helix	trans	-58.3	-39.8	-178.2	-169.1	168.4	169.6	-172.5	-2.9	113.3	L153 V154 L155 L255 E298 I331	R151-L153 VanDerWaalsContact C-N 3.34Å; R151-L153 PolarHBondContact O-N 3.33Å; R151-V154 PolarHBondContact O-N 3.21Å; R151-L155 HydrophobicContact CG-CD1 4.27Å; R151-L155 WeakPolarHBondContact O-CG 3.28Å; R151-L155 PolarHBondContact O-N 3.29Å; R151-L155 VanDerWaalsContact O-N 3.09Å; R151-L255 HydrophobicContact CB-CD2 4.04Å; R151-L255 HydrophobicContact CG-CD2 4.23Å; R151-E298 IonicContact CZ-OE1 3.72Å; R151-E298 VanDerWaalsContact CZ-OE1 3.28Å; R151-E298 IonicContact CZ-OE2 2.68Å; R151-E298 IonicContact NE-OE1 2.63Å; R151-E298 PolarHBondContact NE-OE1 3.41Å; R151-E298 IonicContact NE-OE2 3.43Å; R151-E298 VanDerWaalsContact NH2-CD 3.27Å; R151-E298 IonicContact NH2-OE1 3.31Å; R151-E298 PolarHBondContact NH2-OE1 3.23Å; R151-E298 IonicContact NH2-OE2 3.7Å; R151-E298 PolarHBondContact NH2-OE2 3.33Å; R151-I331 HydrophobicContact CB-CD1 4.2Å; R151-I331 HydrophobicContact CG-CD1 4.2Å
152	K	97.9	Very high	97.5	Very high	42 Å²	42	31.2 Å²	31.2	18%	0.183	15%	0.153	C	C	.	.	H	α-helix	trans	-54.1	-48.6	171.6	-177.9	-171.4	174.6	-175.1	0	111.6	P150 L155 Q156 L328 I331 A333 D336 E340	P150-K152 VanDerWaalsContact C-N 3.32Å; P150-K152 PolarHBondContact O-N 3.18Å; K152-L155 PolarHBondContact O-N 3.41Å; K152-Q156 HydrophobicContact CG-CG 4.45Å; K152-Q156 WeakPolarHBondContact O-CB 3.46Å; K152-Q156 WeakPolarHBondContact O-CG 3.37Å; K152-Q156 PolarHBondContact O-N 2.83Å; K152-L328 HydrophobicContact CG-CD2 4.09Å; K152-I331 HydrophobicContact CB-CD1 4.17Å; K152-A333 HydrophobicContact CD-CB 4.44Å; K152-A333 HydrophobicContact CG-CB 4.22Å; K152-D336 VanDerWaalsContact CE-OD1 3.31Å; K152-D336 WeakPolarHBondContact CE-OD1 3.2Å; K152-D336 WeakPolarHBondContact CE-OD2 3.3Å; K152-D336 IonicContact NZ-OD1 2.66Å; K152-D336 PolarHBondContact NZ-OD1 2.94Å; K152-D336 IonicContact NZ-OD2 3.47Å; K152-D336 PolarHBondContact NZ-OD2 2.76Å; K152-E340 IonicContact NZ-OE1 3.72Å; K152-E340 PolarHBondContact NZ-OE1 3.2Å
153	L	98.6	Very high	97.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-63.7	-45.6	-178.5	173.8	63.1	0	0	0	111.6	F149 P150 R151 L155 Q156 L157 L339 F341	F149-L153 HydrophobicContact CB-CD2 3.89Å; F149-L153 HydrophobicContact CB-CG 4.4Å; F149-L153 HydrophobicContact CD1-CD2 3.59Å; F149-L153 HydrophobicContact CD2-CD2 4.27Å; F149-L153 HydrophobicContact CE1-CD2 4.12Å; F149-L153 HydrophobicContact CG-CD2 3.67Å; F149-L153 HydrophobicContact CG-CG 4.46Å; P150-L153 HydrophobicContact CB-CB 4.44Å; P150-L153 WeakPolarHBondContact O-CB 3.34Å; P150-L153 PolarHBondContact O-N 3.04Å; R151-L153 VanDerWaalsContact C-N 3.34Å; R151-L153 PolarHBondContact O-N 3.33Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L153-L155 PolarHBondContact O-N 3.16Å; L153-Q156 PolarHBondContact O-N 3.46Å; L153-L157 HydrophobicContact CD1-CD1 4.07Å; L153-L157 HydrophobicContact CD1-CG 4.05Å; L153-L157 HydrophobicContact CG-CD1 4.03Å; L153-L157 HydrophobicContact CG-CG 4.43Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 2.95Å; L153-L157 PolarHBondContact O-N 3.01Å; L153-L339 HydrophobicContact CD1-CB 3.91Å; L153-L339 HydrophobicContact CD1-CD2 3.89Å; L153-L339 HydrophobicContact CD1-CG 4.48Å; L153-F341 HydrophobicContact CD1-CD1 4.48Å; L153-F341 HydrophobicContact CD1-CE1 4.03Å; L153-F341 HydrophobicContact CD1-CZ 4.03Å; L153-F341 HydrophobicContact CD2-CD1 3.45Å; L153-F341 VanDerWaalsContact CD2-CD1 3.45Å; L153-F341 HydrophobicContact CD2-CE1 3.6Å; L153-F341 HydrophobicContact CD2-CG 4.15Å; L153-F341 HydrophobicContact CD2-CZ 4.39Å; L153-F341 HydrophobicContact CG-CE1 4.38Å
154	V	98.7	Very high	97.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-41.5	179.1	174	0	0	0	0	111.8	F149 P150 R151 L157 G158 M251 W254 L255	F149-V154 HydrophobicContact CB-CG2 3.66Å; P150-V154 PolarHBondContact O-N 2.87Å; P150-V154 VanDerWaalsContact O-N 3.08Å; R151-V154 PolarHBondContact O-N 3.21Å; V154-L157 PolarHBondContact O-N 2.64Å; V154-G158 PolarHBondContact O-N 3.05Å; V154-M251 HydrophobicContact CG1-CB 3.81Å; V154-M251 HydrophobicContact CG1-CG 3.91Å; V154-W254 HydrophobicContact CG1-CE3 4.29Å; V154-W254 HydrophobicContact CG2-CB 3.67Å; V154-L255 HydrophobicContact CB-CD2 3.77Å; V154-L255 HydrophobicContact CB-CG 4.18Å; V154-L255 HydrophobicContact CG1-CD1 4.44Å; V154-L255 HydrophobicContact CG1-CD2 4.2Å; V154-L255 HydrophobicContact CG1-CG 4.06Å; V154-L255 HydrophobicContact CG2-CD2 3.56Å; V154-L255 HydrophobicContact CG2-CG 3.98Å
155	L	98.8	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-69.5	-37.9	177.4	-62	179.2	0	0	0	112.2	R151 K152 L153 G158 L159 E298 L324 G327 L328	R151-L155 HydrophobicContact CG-CD1 4.27Å; R151-L155 WeakPolarHBondContact O-CG 3.28Å; R151-L155 PolarHBondContact O-N 3.29Å; R151-L155 VanDerWaalsContact O-N 3.09Å; K152-L155 PolarHBondContact O-N 3.41Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L153-L155 PolarHBondContact O-N 3.16Å; L155-G158 PolarHBondContact O-N 3.28Å; L155-L159 WeakPolarHBondContact O-CG 3.29Å; L155-L159 PolarHBondContact O-N 3.16Å; L155-E298 HydrophobicContact CD1-CG 4.3Å; L155-E298 HydrophobicContact CD2-CG 3.59Å; L155-L324 HydrophobicContact CD2-CB 4.38Å; L155-L324 HydrophobicContact CD2-CD2 3.84Å; L155-G327 VanDerWaalsContact CD1-C 3.4Å; L155-L328 HydrophobicContact CB-CD2 3.8Å; L155-L328 HydrophobicContact CB-CG 3.89Å; L155-L328 HydrophobicContact CD1-CD2 4.1Å; L155-L328 HydrophobicContact CD1-CG 4.08Å
156	Q	98.6	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-48.2	171.5	-80	-69.1	6.1	0	0	112	K152 L153 L159 R160 K334 D335 D336 G337 L339	K152-Q156 HydrophobicContact CG-CG 4.45Å; K152-Q156 WeakPolarHBondContact O-CB 3.46Å; K152-Q156 WeakPolarHBondContact O-CG 3.37Å; K152-Q156 PolarHBondContact O-N 2.83Å; L153-Q156 PolarHBondContact O-N 3.46Å; Q156-L159 PolarHBondContact O-N 2.84Å; Q156-R160 WeakPolarHBondContact O-CG 3.3Å; Q156-R160 PolarHBondContact O-N 3.39Å; Q156-K334 PolarHBondContact NE2-O 3.17Å; Q156-D335 PolarHBondContact NE2-OD1 2.88Å; Q156-D335 PolarHBondContact OE1-OD1 3.49Å; Q156-D336 PolarHBondContact NE2-OD1 3.29Å; Q156-G337 VanDerWaalsContact NE2-N 3.16Å; Q156-L339 HydrophobicContact CB-CD2 3.83Å
157	L	98.8	Very high	98.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-47.7	175	-70.5	171.9	0	0	0	111.1	L138 F149 L153 V154 L159 R160 L161 V193 W254 L339	L138-L157 HydrophobicContact CD1-CD1 3.87Å; L138-L157 HydrophobicContact CD1-CD2 3.67Å; L138-L157 HydrophobicContact CD1-CG 4.44Å; F149-L157 HydrophobicContact CD2-CD1 4.35Å; F149-L157 HydrophobicContact CE2-CD1 4.41Å; L153-L157 HydrophobicContact CD1-CD1 4.07Å; L153-L157 HydrophobicContact CD1-CG 4.05Å; L153-L157 HydrophobicContact CG-CD1 4.03Å; L153-L157 HydrophobicContact CG-CG 4.43Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 2.95Å; L153-L157 PolarHBondContact O-N 3.01Å; V154-L157 PolarHBondContact O-N 2.64Å; L157-L159 VanDerWaalsContact C-N 3.28Å; L157-L159 PolarHBondContact O-N 2.67Å; L157-R160 PolarHBondContact O-N 2.81Å; L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 2.89Å; L157-V193 HydrophobicContact CD2-CB 4.24Å; L157-V193 HydrophobicContact CD2-CG1 4.09Å; L157-V193 HydrophobicContact CD2-CG2 4.26Å; L157-W254 HydrophobicContact CB-CZ3 4.32Å; L157-W254 HydrophobicContact CD1-CE3 4.43Å; L157-W254 HydrophobicContact CD1-CZ3 4.43Å; L157-L339 HydrophobicContact CD2-CD1 4.17Å; L157-L339 HydrophobicContact CD2-CD2 4.02Å; L157-L339 HydrophobicContact CG-CD2 4.34Å
158	G	98.8	Very high	98.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56.2	-39.1	177.8	0	0	0	0	0	113.4	V154 L155 L162	V154-G158 PolarHBondContact O-N 3.05Å; L155-G158 PolarHBondContact O-N 3.28Å; G158-L162 VanDerWaalsContact O-CG 3.3Å; G158-L162 WeakPolarHBondContact O-CG 3.3Å; G158-L162 PolarHBondContact O-N 3.01Å
159	L	98.8	Very high	98.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65	-51	175	-70.1	169.9	0	0	0	112.4	L155 Q156 L157 L161 L162 D163 R321 L324 Q325 L328 D335	L155-L159 WeakPolarHBondContact O-CG 3.29Å; L155-L159 PolarHBondContact O-N 3.16Å; Q156-L159 PolarHBondContact O-N 2.84Å; L157-L159 VanDerWaalsContact C-N 3.28Å; L157-L159 PolarHBondContact O-N 2.67Å; L159-L161 PolarHBondContact O-N 3.39Å; L159-L162 PolarHBondContact O-N 2.77Å; L159-L162 VanDerWaalsContact O-N 3.16Å; L159-D163 VanDerWaalsContact O-CG 3.3Å; L159-D163 PolarHBondContact O-N 2.95Å; L159-R321 HydrophobicContact CD2-CB 3.91Å; L159-R321 HydrophobicContact CD2-CG 3.98Å; L159-R321 WeakPolarHBondContact CD2-O 3.46Å; L159-L324 HydrophobicContact CD2-CB 3.91Å; L159-L324 HydrophobicContact CD2-CD1 4.45Å; L159-L324 HydrophobicContact CG-CB 4.13Å; L159-L324 HydrophobicContact CG-CD1 4.49Å; L159-Q325 HydrophobicContact CD1-CG 4Å; L159-Q325 HydrophobicContact CD2-CG 3.94Å; L159-L328 HydrophobicContact CD1-CD1 3.77Å; L159-D335 HydrophobicContact CD1-CB 4.32Å
160	R	98.7	Very high	98.5	Very high	42 Å²	42	15.2 Å²	15.2	16%	0.158	7%	0.069	C	C	.	.	H	α-helix	trans	-64.9	-30.2	179.4	-57.6	-57.2	84.8	89.9	-12.7	112.5	Q156 L157 D163 T164 V193 D335	Q156-R160 WeakPolarHBondContact O-CG 3.3Å; Q156-R160 PolarHBondContact O-N 3.39Å; L157-R160 PolarHBondContact O-N 2.81Å; R160-D163 IonicContact CZ-OD2 3.63Å; R160-D163 IonicContact NE-OD2 3.63Å; R160-D163 PolarHBondContact NE-OD2 2.79Å; R160-D163 VanDerWaalsContact NE-OD2 3.15Å; R160-D163 IonicContact NH2-OD2 3.04Å; R160-T164 WeakPolarHBondContact O-CB 3.27Å; R160-T164 PolarHBondContact O-N 3.11Å; R160-T164 VanDerWaalsContact O-N 3.14Å; R160-T164 PolarHBondContact O-OG1 2.9Å; R160-V193 HydrophobicContact CB-CG1 3.82Å; R160-V193 HydrophobicContact CG-CG1 4.44Å; R160-D335 IonicContact CZ-OD1 3.83Å; R160-D335 IonicContact CZ-OD2 2.61Å; R160-D335 IonicContact NH1-OD1 2.77Å; R160-D335 PolarHBondContact NH1-OD1 2.99Å; R160-D335 IonicContact NH1-OD2 3.37Å; R160-D335 IonicContact NH2-OD1 2.97Å; R160-D335 IonicContact NH2-OD2 3.64Å; R160-D335 PolarHBondContact NH2-OD2 2.87Å
161	L	98.9	Very high	98.6	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-73.9	-38	174.1	-66.4	172.1	0	0	0	111.8	L157 L159 D163 T164 L165 L183 L247 W254	L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CG 3.28Å; L157-L161 PolarHBondContact O-N 2.89Å; L159-L161 PolarHBondContact O-N 3.39Å; L161-D163 VanDerWaalsContact C-N 3.33Å; L161-D163 PolarHBondContact O-N 2.61Å; L161-T164 PolarHBondContact O-N 3.11Å; L161-T164 VanDerWaalsContact O-N 3.15Å; L161-L165 WeakPolarHBondContact O-CB 3.35Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.3Å; L161-L165 PolarHBondContact O-N 3.43Å; L161-L183 HydrophobicContact CD1-CD1 3.78Å; L161-L183 HydrophobicContact CD2-CD1 4.18Å; L161-L183 HydrophobicContact CD2-CD2 3.47Å; L161-L183 VanDerWaalsContact CD2-CD2 3.47Å; L161-L183 HydrophobicContact CD2-CG 4.48Å; L161-L247 HydrophobicContact CB-CD1 4.04Å; L161-L247 HydrophobicContact CB-CD2 4.13Å; L161-L247 HydrophobicContact CD1-CD1 3.56Å; L161-L247 HydrophobicContact CG-CD1 4.45Å; L161-W254 HydrophobicContact CD1-CH2 3.86Å; L161-W254 HydrophobicContact CD1-CZ3 4.12Å
162	L	98.9	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.5	-41.9	170.6	-75	168.8	0	0	0	112.1	G158 L159 T164 L165 E166 L244 L247 F302 Y317 L320 R321 L324	G158-L162 VanDerWaalsContact O-CG 3.3Å; G158-L162 WeakPolarHBondContact O-CG 3.3Å; G158-L162 PolarHBondContact O-N 3.01Å; L159-L162 PolarHBondContact O-N 2.77Å; L159-L162 VanDerWaalsContact O-N 3.16Å; L162-T164 VanDerWaalsContact C-N 3.25Å; L162-T164 PolarHBondContact O-N 3.36Å; L162-L165 PolarHBondContact O-N 3.35Å; L162-E166 VanDerWaalsContact O-CB 3.27Å; L162-E166 WeakPolarHBondContact O-CB 3.48Å; L162-E166 PolarHBondContact O-N 3.47Å; L162-L244 HydrophobicContact CD2-CD2 3.6Å; L162-L247 HydrophobicContact CD2-CD2 4.36Å; L162-L247 HydrophobicContact CG-CD2 4.37Å; L162-F302 HydrophobicContact CD1-CE2 4.19Å; L162-F302 HydrophobicContact CD2-CE2 4.14Å; L162-Y317 HydrophobicContact CD2-CD1 4.36Å; L162-L320 HydrophobicContact CD1-CB 3.83Å; L162-L320 HydrophobicContact CD2-CB 4.02Å; L162-L320 HydrophobicContact CD2-CD1 4Å; L162-R321 HydrophobicContact CB-CG 3.89Å; L162-R321 HydrophobicContact CD1-CB 4.46Å; L162-R321 HydrophobicContact CD1-CG 3.69Å; L162-R321 HydrophobicContact CG-CG 4.45Å; L162-L324 HydrophobicContact CD1-CD1 3.77Å
163	D	98.8	Very high	98.7	Very high	7 Å²	7	13.2 Å²	13.2	4%	0.037	6%	0.06	C	C	.	.	H	α-helix	trans	-60.4	-36.6	174.7	-59	-36.1	0	0	0	111.7	L105 L159 R160 L161 F167 R321	L105-D163 HydrophobicContact CD1-CB 4.23Å; L159-D163 VanDerWaalsContact O-CG 3.3Å; L159-D163 PolarHBondContact O-N 2.95Å; R160-D163 IonicContact CZ-OD2 3.63Å; R160-D163 IonicContact NE-OD2 3.63Å; R160-D163 PolarHBondContact NE-OD2 2.79Å; R160-D163 VanDerWaalsContact NE-OD2 3.15Å; R160-D163 IonicContact NH2-OD2 3.04Å; L161-D163 VanDerWaalsContact C-N 3.33Å; L161-D163 PolarHBondContact O-N 2.61Å; D163-F167 PolarHBondContact O-N 3.46Å; D163-R321 VanDerWaalsContact OD1-CD 3.3Å; D163-R321 WeakPolarHBondContact OD1-CD 3.46Å; D163-R321 IonicContact OD1-CZ 3.94Å; D163-R321 IonicContact OD1-NE 2.8Å; D163-R321 IonicContact OD1-NH1 3.57Å; D163-R321 PolarHBondContact OD1-NH1 3.01Å
164	T	98.8	Very high	98.7	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-76.4	-40.7	179.7	-55.4	0	0	0	0	112.6	G109 V110 R160 L161 L162 F167 I168 L195	G109-T164 VanDerWaalsContact CA-OG1 3.28Å; G109-T164 WeakPolarHBondContact CA-OG1 3.32Å; G109-T164 PolarHBondContact N-OG1 3.45Å; G109-T164 WeakPolarHBondContact O-CG2 3.42Å; V110-T164 HydrophobicContact CG2-CG2 3.86Å; R160-T164 WeakPolarHBondContact O-CB 3.27Å; R160-T164 PolarHBondContact O-N 3.11Å; R160-T164 VanDerWaalsContact O-N 3.14Å; R160-T164 PolarHBondContact O-OG1 2.9Å; L161-T164 PolarHBondContact O-N 3.11Å; L161-T164 VanDerWaalsContact O-N 3.15Å; L162-T164 VanDerWaalsContact C-N 3.25Å; L162-T164 PolarHBondContact O-N 3.36Å; T164-F167 PolarHBondContact O-N 3.3Å; T164-I168 PolarHBondContact O-N 3.19Å; T164-I168 VanDerWaalsContact O-N 3.17Å; T164-L195 HydrophobicContact CG2-CB 3.98Å; T164-L195 HydrophobicContact CG2-CD2 4.21Å
165	L	98.9	Very high	98.7	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-69.4	-44.5	178	-69	-179.3	0	0	0	111.3	L161 L162 F167 I168 H169 I178 L195 D243 L244 L247	L161-L165 WeakPolarHBondContact O-CB 3.35Å; L161-L165 VanDerWaalsContact O-CG 3.26Å; L161-L165 WeakPolarHBondContact O-CG 3.3Å; L161-L165 PolarHBondContact O-N 3.43Å; L162-L165 PolarHBondContact O-N 3.35Å; L165-F167 VanDerWaalsContact C-N 3.29Å; L165-F167 PolarHBondContact O-N 3.04Å; L165-I168 HydrophobicContact CD2-CD1 3.98Å; L165-I168 WeakPolarHBondContact O-CG1 3.45Å; L165-I168 PolarHBondContact O-N 3.47Å; L165-H169 VanDerWaalsContact O-CB 3.22Å; L165-H169 WeakPolarHBondContact O-CB 3.31Å; L165-H169 PolarHBondContact O-N 3.39Å; L165-H169 PolarHBondContact O-ND1 3.36Å; L165-I178 HydrophobicContact CD1-CD1 3.97Å; L165-I178 HydrophobicContact CD2-CD1 3.74Å; L165-I178 HydrophobicContact CD2-CG1 4.35Å; L165-I178 HydrophobicContact CG-CD1 4.45Å; L165-L195 HydrophobicContact CD2-CD2 4.24Å; L165-D243 HydrophobicContact CD1-CB 4.26Å; L165-D243 HydrophobicContact CD2-CB 4.11Å; L165-L244 HydrophobicContact CD1-CD2 3.95Å; L165-L247 HydrophobicContact CD1-CB 4.5Å; L165-L247 HydrophobicContact CD1-CD2 3.9Å
166	E	98.9	Very high	98.6	Very high	22 Å²	22	13.7 Å²	13.7	10%	0.103	6%	0.064	C	C	.	.	H	α-helix	trans	-54.1	-47.4	173.4	-174.5	176.1	-119.8	0	0	110.9	W99 L162 H169 E170 Y317 R321	W99-E166 HydrophobicContact CH2-CG 3.94Å; W99-E166 HydrophobicContact CZ2-CB 4.37Å; W99-E166 HydrophobicContact CZ2-CG 3.86Å; L162-E166 VanDerWaalsContact O-CB 3.27Å; L162-E166 WeakPolarHBondContact O-CB 3.48Å; L162-E166 PolarHBondContact O-N 3.47Å; E166-H169 PolarHBondContact O-N 2.94Å; E166-E170 WeakPolarHBondContact O-CG 3.34Å; E166-E170 PolarHBondContact O-N 3.22Å; E166-Y317 HydrophobicContact CB-CD1 4Å; E166-Y317 HydrophobicContact CB-CD2 4.03Å; E166-Y317 HydrophobicContact CB-CE1 4.18Å; E166-Y317 HydrophobicContact CB-CE2 4.2Å; E166-Y317 HydrophobicContact CB-CG 3.93Å; E166-Y317 HydrophobicContact CG-CD1 4.47Å; E166-Y317 HydrophobicContact CG-CD2 3.59Å; E166-Y317 HydrophobicContact CG-CE2 3.89Å; E166-Y317 HydrophobicContact CG-CG 3.92Å; E166-Y317 VanDerWaalsContact OE1-CB 3.22Å; E166-Y317 WeakPolarHBondContact OE1-CB 3.26Å; E166-Y317 VanDerWaalsContact OE1-CD2 3.31Å; E166-Y317 WeakPolarHBondContact OE1-CD2 3.41Å; E166-R321 IonicContact OE1-CZ 2.84Å; E166-R321 IonicContact OE1-NH2 3.58Å; E166-R321 PolarHBondContact OE1-NH2 2.89Å; E166-R321 IonicContact OE2-CZ 2.9Å; E166-R321 IonicContact OE2-NH1 3.66Å; E166-R321 PolarHBondContact OE2-NH1 3.11Å; E166-R321 IonicContact OE2-NH2 3.68Å; E166-R321 PolarHBondContact OE2-NH2 3.27Å
167	F	98.8	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56.7	-53.5	176.1	174.1	-100.1	0	0	0	113.5	A90 I96 W99 V108 V110 D163 T164 L165 H169 E170 H171	A90-F167 WeakPolarHBondContact O-CE1 3.39Å; A90-F167 WeakPolarHBondContact O-CZ 3.48Å; I96-F167 HydrophobicContact CG1-CE1 4.22Å; I96-F167 HydrophobicContact CG1-CE2 4.32Å; I96-F167 HydrophobicContact CG1-CZ 3.62Å; W99-F167 HydrophobicContact CB-CD2 3.76Å; W99-F167 HydrophobicContact CB-CE2 3.73Å; W99-F167 AromaticContact CD1-CD2 3.49Å; W99-F167 VanDerWaalsContact CD1-CD2 3.49Å; W99-F167 HydrophobicContact CD2-CB 4.47Å; W99-F167 AromaticContact CD2-CD2 3.62Å; W99-F167 HydrophobicContact CD2-CD2 3.62Å; W99-F167 HydrophobicContact CD2-CE2 4.42Å; W99-F167 AromaticContact CE2-CD2 3.9Å; W99-F167 HydrophobicContact CE3-CD2 4.29Å; W99-F167 AromaticContact CG-CD2 3.34Å; W99-F167 HydrophobicContact CG-CD2 3.34Å; W99-F167 AromaticContact CG-CE2 3.87Å; W99-F167 HydrophobicContact CG-CE2 3.87Å; W99-F167 HydrophobicContact CG-CG 4.41Å; W99-F167 HydrophobicContact CZ2-CB 4.2Å; W99-F167 AromaticContact NE1-CD2 3.81Å; V108-F167 HydrophobicContact CG2-CB 3.87Å; V108-F167 HydrophobicContact CG2-CG 4.18Å; V110-F167 HydrophobicContact CB-CD1 4.33Å; V110-F167 HydrophobicContact CB-CE1 4.12Å; V110-F167 HydrophobicContact CG1-CE1 4.2Å; V110-F167 HydrophobicContact CG2-CD1 3.52Å; V110-F167 HydrophobicContact CG2-CE1 3.78Å; D163-F167 PolarHBondContact O-N 3.46Å; T164-F167 PolarHBondContact O-N 3.3Å; L165-F167 VanDerWaalsContact C-N 3.29Å; L165-F167 PolarHBondContact O-N 3.04Å; F167-H169 VanDerWaalsContact C-N 3.32Å; F167-H169 PolarHBondContact O-N 3.45Å; F167-E170 PolarHBondContact O-N 2.85Å; F167-H171 AromaticContact CD2-CE1 3.59Å; F167-H171 AromaticContact CD2-ND1 3.73Å; F167-H171 AromaticContact CE2-CE1 3.24Å; F167-H171 WeakPolarHBondContact CE2-CE1 3.44Å; F167-H171 AromaticContact CE2-ND1 3.66Å; F167-H171 AromaticContact CE2-NE2 3.97Å; F167-H171 AromaticContact CZ-CE1 3.84Å; F167-H171 AromaticContact CZ-ND1 3.99Å; F167-H171 PolarHBondContact O-N 3.29Å; F167-H171 PolarHBondContact O-ND1 3.3Å
168	I	98.8	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-68.5	-33.7	-177.3	64.5	172.7	0	0	0	112	F86 V110 T164 L165 H171 E172 Y173 H175 Y198	F86-I168 HydrophobicContact CE2-CB 4.24Å; F86-I168 HydrophobicContact CE2-CG2 3.79Å; F86-I168 HydrophobicContact CZ-CG2 3.78Å; V110-I168 HydrophobicContact CG2-CG2 3.98Å; T164-I168 PolarHBondContact O-N 3.19Å; T164-I168 VanDerWaalsContact O-N 3.17Å; L165-I168 HydrophobicContact CD2-CD1 3.98Å; L165-I168 WeakPolarHBondContact O-CG1 3.45Å; L165-I168 PolarHBondContact O-N 3.47Å; I168-H171 CarbonylContact O-C 3.39Å; I168-H171 VanDerWaalsContact O-C 3.26Å; I168-H171 WeakPolarHBondContact O-CA 3.48Å; I168-H171 PolarHBondContact O-N 3.23Å; I168-H171 VanDerWaalsContact O-N 3.15Å; I168-E172 PolarHBondContact O-N 3.04Å; I168-Y173 CarbonylContact C-O 3.49Å; I168-Y173 WeakPolarHBondContact CG1-O 3.28Å; I168-Y173 PolarHBondContact O-N 2.99Å; I168-H175 HydrophobicContact CD1-CB 3.9Å; I168-Y198 HydrophobicContact CD1-CE1 4.44Å; I168-Y198 HydrophobicContact CG2-CE1 4.2Å
169	H	98.8	Very high	98.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.8	-39.2	178.5	-67.9	154	0	0	0	112.2	L165 E166 F167 H171 E172 Y173 Y204 R240 D243 Y317	L165-H169 VanDerWaalsContact O-CB 3.22Å; L165-H169 WeakPolarHBondContact O-CB 3.31Å; L165-H169 PolarHBondContact O-N 3.39Å; L165-H169 PolarHBondContact O-ND1 3.36Å; E166-H169 PolarHBondContact O-N 2.94Å; F167-H169 VanDerWaalsContact C-N 3.32Å; F167-H169 PolarHBondContact O-N 3.45Å; H169-H171 PolarHBondContact O-N 3.49Å; H169-E172 PolarHBondContact O-N 3.02Å; H169-E172 VanDerWaalsContact O-N 3.11Å; H169-Y173 WeakPolarHBondContact CA-O 3.14Å; H169-Y173 PolarHBondContact CD2-O 2.65Å; H169-Y173 VanDerWaalsContact CD2-O 3.23Å; H169-Y173 PolarHBondContact N-O 2.87Å; H169-Y204 WeakPolarHBondContact O-CE1 3.4Å; H169-Y204 PolarHBondContact O-OH 3.14Å; H169-R240 HydrophobicContact CB-CG 4.06Å; H169-D243 IonicContact NE2-OD2 3.13Å; H169-D243 PolarHBondContact NE2-OD2 3.3Å; H169-Y317 VanDerWaalsContact CB-OH 3.31Å; H169-Y317 WeakPolarHBondContact CB-OH 3.24Å; H169-Y317 AromaticContact ND1-CE1 3.83Å; H169-Y317 AromaticContact ND1-CZ 3.68Å; H169-Y317 PolarHBondContact ND1-OH 3.18Å
170	E	98.3	Very high	98.4	Very high	102 Å²	102	14.6 Å²	14.6	48%	0.477	7%	0.069	S	C	.	.	H	α-helix	trans	-69.2	-22.8	172.3	-67.7	-56.7	109.1	0	0	112.3	W99 E166 F167 E172	W99-E170 HydrophobicContact CH2-CB 4.23Å; W99-E170 HydrophobicContact CH2-CG 3.83Å; W99-E170 HydrophobicContact CZ3-CB 4.08Å; W99-E170 HydrophobicContact CZ3-CG 4.06Å; E166-E170 WeakPolarHBondContact O-CG 3.34Å; E166-E170 PolarHBondContact O-N 3.22Å; F167-E170 PolarHBondContact O-N 2.85Å; E170-E172 VanDerWaalsContact C-N 3.27Å; E170-E172 PolarHBondContact O-N 2.82Å
171	H	98.1	Very high	98.3	Very high	47 Å²	47	14.1 Å²	14.1	22%	0.218	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	24.3	169	-65.5	78.8	0	0	0	113	A90 F167 I168 H169 Y173	A90-H171 HydrophobicContact CB-CB 3.75Å; F167-H171 AromaticContact CD2-CE1 3.59Å; F167-H171 AromaticContact CD2-ND1 3.73Å; F167-H171 AromaticContact CE2-CE1 3.24Å; F167-H171 WeakPolarHBondContact CE2-CE1 3.44Å; F167-H171 AromaticContact CE2-ND1 3.66Å; F167-H171 AromaticContact CE2-NE2 3.97Å; F167-H171 AromaticContact CZ-CE1 3.84Å; F167-H171 AromaticContact CZ-ND1 3.99Å; F167-H171 PolarHBondContact O-N 3.29Å; F167-H171 PolarHBondContact O-ND1 3.3Å; I168-H171 CarbonylContact O-C 3.39Å; I168-H171 VanDerWaalsContact O-C 3.26Å; I168-H171 WeakPolarHBondContact O-CA 3.48Å; I168-H171 PolarHBondContact O-N 3.23Å; I168-H171 VanDerWaalsContact O-N 3.15Å; H169-H171 PolarHBondContact O-N 3.49Å; H171-Y173 VanDerWaalsContact C-N 3.28Å; H171-Y173 VanDerWaalsContact O-CD2 3.25Å; H171-Y173 WeakPolarHBondContact O-CD2 3.47Å; H171-Y173 PolarHBondContact O-N 2.93Å
172	E	98.3	Very high	98.3	Very high	40 Å²	40	14.4 Å²	14.4	19%	0.187	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	9	173.1	-44.8	171.7	146.8	0	0	116.7	I168 H169 E170 R203 Y204 A205 D207 G208	I168-E172 PolarHBondContact O-N 3.04Å; H169-E172 PolarHBondContact O-N 3.02Å; H169-E172 VanDerWaalsContact O-N 3.11Å; E170-E172 VanDerWaalsContact C-N 3.27Å; E170-E172 PolarHBondContact O-N 2.82Å; E172-R203 HydrophobicContact CB-CG 4.11Å; E172-R203 CarbonylContact O-C 3.54Å; E172-R203 VanDerWaalsContact O-CA 3.24Å; E172-R203 WeakPolarHBondContact O-CA 3.4Å; E172-R203 IonicContact OE1-NH2 2.76Å; E172-R203 IonicContact OE2-CZ 3.17Å; E172-R203 IonicContact OE2-NE 2.84Å; E172-R203 PolarHBondContact OE2-NE 2.88Å; E172-R203 IonicContact OE2-NH2 2.76Å; E172-R203 PolarHBondContact OE2-NH2 2.79Å; E172-Y204 VanDerWaalsContact C-CD1 3.4Å; E172-Y204 WeakPolarHBondContact O-CD1 3.31Å; E172-Y204 WeakPolarHBondContact O-CE1 3.22Å; E172-Y204 PolarHBondContact O-N 2.76Å; E172-A205 HydrophobicContact CB-CB 4.08Å; E172-A205 WeakPolarHBondContact CB-O 3.31Å; E172-A205 HydrophobicContact CG-CB 4.35Å; E172-A205 VanDerWaalsContact CG-O 3.25Å; E172-A205 WeakPolarHBondContact CG-O 3.41Å; E172-A205 VanDerWaalsContact OE1-O 3.07Å; E172-D207 WeakPolarHBondContact OE1-CA 3.39Å; E172-D207 PolarHBondContact OE1-N 2.87Å; E172-G208 PolarHBondContact OE1-N 3.21Å
173	Y	98.4	Very high	98.3	Very high	11 Å²	11	14.4 Å²	14.4	4%	0.043	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.3	-176.7	-82.4	-87.7	0	0	0	113.4	H85 F86 R89 A90 I168 H169 H171 A201 Y202 R203	H85-Y173 PolarHBondContact O-OH 3.34Å; F86-Y173 HydrophobicContact CB-CD1 4.41Å; F86-Y173 HydrophobicContact CB-CE1 4.16Å; F86-Y173 AromaticContact CD2-CD1 3.98Å; F86-Y173 HydrophobicContact CD2-CD1 3.98Å; F86-Y173 AromaticContact CD2-CD2 3.92Å; F86-Y173 HydrophobicContact CD2-CD2 3.92Å; F86-Y173 HydrophobicContact CD2-CE1 4.45Å; F86-Y173 HydrophobicContact CD2-CE2 4.43Å; F86-Y173 AromaticContact CD2-CG 3.69Å; F86-Y173 HydrophobicContact CD2-CG 3.69Å; F86-Y173 HydrophobicContact CE2-CG 4.36Å; R89-Y173 HydrophobicContact CB-CE2 4.33Å; R89-Y173 PolarHBondContact NH1-OH 2.9Å; A90-Y173 HydrophobicContact CB-CD2 4.46Å; I168-Y173 CarbonylContact C-O 3.49Å; I168-Y173 WeakPolarHBondContact CG1-O 3.28Å; I168-Y173 PolarHBondContact O-N 2.99Å; H169-Y173 WeakPolarHBondContact CA-O 3.14Å; H169-Y173 PolarHBondContact CD2-O 2.65Å; H169-Y173 VanDerWaalsContact CD2-O 3.23Å; H169-Y173 PolarHBondContact N-O 2.87Å; H171-Y173 VanDerWaalsContact C-N 3.28Å; H171-Y173 VanDerWaalsContact O-CD2 3.25Å; H171-Y173 WeakPolarHBondContact O-CD2 3.47Å; H171-Y173 PolarHBondContact O-N 2.93Å; Y173-A201 HydrophobicContact CD1-CB 4.28Å; Y173-Y202 WeakPolarHBondContact CA-O 3.21Å; Y173-R203 HydrophobicContact CD1-CB 4.23Å; Y173-R203 HydrophobicContact CE1-CB 3.86Å; Y173-R203 HydrophobicContact CE2-CB 4.39Å; Y173-R203 HydrophobicContact CE2-CG 4.16Å
174	V	98.4	Very high	98.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	152	162.8	-62.4	0	0	0	0	109.4	A201 Y202 Y204 P238 S239	V174-A201 CarbonylContact O-C 3.26Å; V174-A201 WeakPolarHBondContact O-CA 3.23Å; V174-A201 WeakPolarHBondContact O-CB 3.26Å; V174-Y202 HydrophobicContact CG2-CD1 4.39Å; V174-Y202 WeakPolarHBondContact CG2-O 3.34Å; V174-Y202 PolarHBondContact N-O 3.48Å; V174-Y202 PolarHBondContact O-N 3.06Å; V174-Y204 HydrophobicContact CG1-CD1 3.71Å; V174-Y204 HydrophobicContact CG1-CE1 4.36Å; V174-Y204 HydrophobicContact CG1-CG 4.06Å; V174-P238 HydrophobicContact CG2-CB 3.87Å; V174-P238 HydrophobicContact CG2-CG 3.78Å; V174-S239 VanDerWaalsContact CG1-C 3.47Å
175	H	98.3	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.078	C	C	.	.			trans	-84.2	-38.7	-179.3	-167.4	-89.2	0	0	0	113.6	I168 D177 I178 L195 V196 D197 Y198 D243	I168-H175 HydrophobicContact CD1-CB 3.9Å; H175-D177 PolarHBondContact CE1-O 3.01Å; H175-D177 VanDerWaalsContact ND1-C 3.27Å; H175-D177 PolarHBondContact ND1-N 2.99Å; H175-D177 PolarHBondContact ND1-O 3.19Å; H175-D177 PolarHBondContact O-N 2.99Å; H175-I178 HydrophobicContact CB-CG1 4.16Å; H175-I178 PolarHBondContact ND1-N 3.27Å; H175-L195 HydrophobicContact CB-CD2 4.09Å; H175-V196 PolarHBondContact NE2-O 3.15Å; H175-V196 VanDerWaalsContact NE2-O 3.15Å; H175-D197 PolarHBondContact NE2-O 3.38Å; H175-Y198 AromaticContact CD2-CD1 3.58Å; H175-Y198 AromaticContact CD2-CE1 3.53Å; H175-D243 WeakPolarHBondContact CB-OD2 3.48Å; H175-D243 PolarHBondContact N-OD1 3.24Å; H175-D243 PolarHBondContact N-OD2 3.45Å
176	A	97.3	Very high	98.1	Very high	13 Å²	13	16 Å²	16	11%	0.107	8%	0.084	C	C	.	.	S	Bend	trans	60.9	-10.1	-178.1	0	0	0	0	0	117.8	P238 D243 I246	A176-P238 HydrophobicContact CB-CB 3.93Å; A176-P238 HydrophobicContact CB-CG 3.82Å; A176-D243 WeakPolarHBondContact CA-OD1 3.4Å; A176-D243 PolarHBondContact N-OD1 3.1Å; A176-I246 WeakPolarHBondContact O-CD1 3.38Å
177	D	97.1	Very high	97.8	Very high	9 Å²	9	18.8 Å²	18.8	5%	0.048	10%	0.096	C	C	.	.			trans	-137.4	49.5	-178.8	-159.9	42.7	0	0	0	114	H175 K179 N182 L200 T224	H175-D177 PolarHBondContact CE1-O 3.01Å; H175-D177 VanDerWaalsContact ND1-C 3.27Å; H175-D177 PolarHBondContact ND1-N 2.99Å; H175-D177 PolarHBondContact ND1-O 3.19Å; H175-D177 PolarHBondContact O-N 2.99Å; D177-K179 PolarHBondContact O-N 3.21Å; D177-K179 IonicContact OD1-NZ 3.89Å; D177-K179 WeakPolarHBondContact OD2-CE 3.37Å; D177-K179 IonicContact OD2-NZ 2.63Å; D177-K179 PolarHBondContact OD2-NZ 2.98Å; D177-N182 PolarHBondContact O-ND2 3.1Å; D177-N182 PolarHBondContact OD2-ND2 3.02Å; D177-L200 HydrophobicContact CB-CB 4.46Å; D177-L200 HydrophobicContact CB-CD1 3.99Å; D177-T224 WeakPolarHBondContact OD1-CB 3.4Å; D177-T224 PolarHBondContact OD1-N 2.95Å; D177-T224 PolarHBondContact OD1-OG1 3.05Å
178	I	98.7	Very high	97.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.131	C	C	.	.			trans	-71.3	124.7	175.5	-54.4	149.1	0	0	0	108.8	L165 H175 L195 D243 I246 C250	L165-I178 HydrophobicContact CD1-CD1 3.97Å; L165-I178 HydrophobicContact CD2-CD1 3.74Å; L165-I178 HydrophobicContact CD2-CG1 4.35Å; L165-I178 HydrophobicContact CG-CD1 4.45Å; H175-I178 HydrophobicContact CB-CG1 4.16Å; H175-I178 PolarHBondContact ND1-N 3.27Å; I178-L195 HydrophobicContact CG1-CD1 4.37Å; I178-L195 HydrophobicContact CG1-CD2 4.36Å; I178-L195 HydrophobicContact CG2-CD1 4.49Å; I178-D243 HydrophobicContact CD1-CB 3.76Å; I178-D243 VanDerWaalsContact CD1-O 3.28Å; I178-D243 WeakPolarHBondContact CD1-O 3.18Å; I178-I246 HydrophobicContact CB-CG2 3.79Å; I178-I246 HydrophobicContact CD1-CB 4.44Å; I178-I246 HydrophobicContact CD1-CG2 4.42Å; I178-I246 WeakPolarHBondContact O-CG2 3.45Å; I178-C250 PolarHBondContact O-SG 2.93Å
179	K	97.8	Very high	97.4	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.035	14%	0.144	C	C	.	.			trans	-166.8	162.4	179.3	64	-163.4	-173.7	-158.5	0	110.7	D177 S181 N182 L183 T224 F227	D177-K179 PolarHBondContact O-N 3.21Å; D177-K179 IonicContact OD1-NZ 3.89Å; D177-K179 WeakPolarHBondContact OD2-CE 3.37Å; D177-K179 IonicContact OD2-NZ 2.63Å; D177-K179 PolarHBondContact OD2-NZ 2.98Å; K179-S181 VanDerWaalsContact C-N 3.26Å; K179-S181 VanDerWaalsContact CE-OG 3.31Å; K179-S181 WeakPolarHBondContact CE-OG 3.48Å; K179-S181 PolarHBondContact O-N 3.11Å; K179-S181 VanDerWaalsContact O-N 3.14Å; K179-N182 WeakPolarHBondContact CE-ND2 3.45Å; K179-N182 WeakPolarHBondContact CE-OD1 3.45Å; K179-N182 HydrophobicContact CG-CB 4Å; K179-N182 PolarHBondContact O-N 3.31Å; K179-L183 WeakPolarHBondContact O-CG 3.48Å; K179-L183 PolarHBondContact O-N 3.06Å; K179-T224 HydrophobicContact CD-CG2 4.09Å; K179-T224 WeakPolarHBondContact CD-OG1 3.25Å; K179-T224 PolarHBondContact NZ-OG1 3.03Å; K179-F227 HydrophobicContact CB-CD2 3.71Å; K179-F227 HydrophobicContact CB-CE2 3.73Å
180	A	97.9	Very high	97.2	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-57.5	-31.8	-175.2	0	0	0	0	0	114.6	L138 Q139 N182 L183 W254	L138-A180 CarbonylContact C-O 3.6Å; L138-A180 WeakPolarHBondContact CA-O 3.47Å; L138-A180 HydrophobicContact CB-CB 4.2Å; L138-A180 WeakPolarHBondContact CB-O 3.4Å; L138-A180 PolarHBondContact N-O 2.72Å; L138-A180 VanDerWaalsContact N-O 3.11Å; Q139-A180 HydrophobicContact CB-CB 4.13Å; Q139-A180 PolarHBondContact N-O 3.32Å; Q139-A180 VanDerWaalsContact N-O 3.11Å; A180-N182 VanDerWaalsContact C-N 3.34Å; A180-L183 PolarHBondContact O-N 2.97Å; A180-W254 HydrophobicContact CB-CZ2 4.48Å
181	S	96.7	Very high	97.1	Very high	32 Å²	32	30.2 Å²	30.2	22%	0.224	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-76	-18.1	176.7	47.2	0	0	0	0	114.4	K179	K179-S181 VanDerWaalsContact C-N 3.26Å; K179-S181 VanDerWaalsContact CE-OG 3.31Å; K179-S181 WeakPolarHBondContact CE-OG 3.48Å; K179-S181 PolarHBondContact O-N 3.11Å; K179-S181 VanDerWaalsContact O-N 3.14Å
182	N	97.8	Very high	97.1	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.032	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-97.2	6.9	173.2	-71.9	1.1	0	0	0	112.2	D177 K179 A180 V196	D177-N182 PolarHBondContact O-ND2 3.1Å; D177-N182 PolarHBondContact OD2-ND2 3.02Å; K179-N182 WeakPolarHBondContact CE-ND2 3.45Å; K179-N182 WeakPolarHBondContact CE-OD1 3.45Å; K179-N182 HydrophobicContact CG-CB 4Å; K179-N182 PolarHBondContact O-N 3.31Å; A180-N182 VanDerWaalsContact C-N 3.34Å; N182-V196 WeakPolarHBondContact CB-O 3.43Å; N182-V196 PolarHBondContact O-N 3.14Å
183	L	98.6	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.1	174.7	-64.8	-179	0	0	0	109.1	D137 L138 L161 K179 A180 V193 Y194 L195 W254	D137-L183 CarbonylContact C-O 3.6Å; D137-L183 WeakPolarHBondContact CA-O 3.17Å; L138-L183 HydrophobicContact CB-CB 4.18Å; L138-L183 HydrophobicContact CD1-CB 3.73Å; L138-L183 HydrophobicContact CD1-CD1 3.99Å; L138-L183 HydrophobicContact CG-CB 3.75Å; L138-L183 WeakPolarHBondContact CG-O 3.26Å; L138-L183 PolarHBondContact N-O 2.89Å; L161-L183 HydrophobicContact CD1-CD1 3.78Å; L161-L183 HydrophobicContact CD2-CD1 4.18Å; L161-L183 HydrophobicContact CD2-CD2 3.47Å; L161-L183 VanDerWaalsContact CD2-CD2 3.47Å; L161-L183 HydrophobicContact CD2-CG 4.48Å; K179-L183 WeakPolarHBondContact O-CG 3.48Å; K179-L183 PolarHBondContact O-N 3.06Å; A180-L183 PolarHBondContact O-N 2.97Å; L183-V193 HydrophobicContact CB-CG2 4.07Å; L183-V193 HydrophobicContact CD2-CG2 4.42Å; L183-Y194 CarbonylContact C-O 3.59Å; L183-Y194 WeakPolarHBondContact CA-O 3.48Å; L183-L195 HydrophobicContact CD2-CB 4.08Å; L183-L195 HydrophobicContact CD2-CD1 3.65Å; L183-L195 HydrophobicContact CD2-CG 4.47Å; L183-W254 HydrophobicContact CD1-CH2 3.58Å; L183-W254 HydrophobicContact CD1-CZ2 3.83Å
184	L	98.2	Very high	97.1	Very high	16 Å²	16	29 Å²	29	8%	0.084	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.6	-179.4	-80.5	63.5	0	0	0	110.4	L134 T136 D137 V193 Y194 V196 M411	L134-L184 HydrophobicContact CB-CB 3.95Å; L134-L184 HydrophobicContact CB-CD2 3.83Å; L134-L184 HydrophobicContact CD1-CB 3.99Å; L134-L184 HydrophobicContact CD1-CD2 4.21Å; T136-L184 WeakPolarHBondContact O-CA 3.34Å; D137-L184 HydrophobicContact CB-CD1 3.86Å; D137-L184 HydrophobicContact CB-CG 4.16Å; L184-V193 CarbonylContact O-C 3.59Å; L184-Y194 PolarHBondContact N-O 3.31Å; L184-Y194 PolarHBondContact O-N 3.03Å; L184-V196 HydrophobicContact CD1-CG1 4.38Å; L184-V196 HydrophobicContact CD1-CG2 3.61Å; L184-M411 HydrophobicContact CD2-CE 4.48Å
185	L	98	Very high	97.1	Very high	11 Å²	11	29 Å²	29	6%	0.058	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	155.1	169.6	-62.7	179.7	0	0	0	110.5	G135 T136 L138 Q192 V193 L339 F341	G135-L185 WeakPolarHBondContact CA-O 3.41Å; G135-L185 PolarHBondContact N-O 3.43Å; T136-L185 HydrophobicContact CG2-CD1 4.21Å; T136-L185 PolarHBondContact O-N 3.21Å; L138-L185 HydrophobicContact CD2-CD1 4.43Å; L138-L185 HydrophobicContact CD2-CD2 3.8Å; L138-L185 HydrophobicContact CD2-CG 3.88Å; L185-Q192 CarbonylContact C-O 3.31Å; L185-Q192 WeakPolarHBondContact CA-O 3.41Å; L185-V193 HydrophobicContact CD2-CB 4.49Å; L185-L339 HydrophobicContact CD2-CD1 3.94Å; L185-F341 HydrophobicContact CD1-CD2 4.46Å; L185-F341 HydrophobicContact CD1-CE2 3.74Å; L185-F341 HydrophobicContact CD1-CZ 4.16Å; L185-F341 HydrophobicContact CD2-CE2 4.06Å; L185-F341 HydrophobicContact CD2-CZ 4.01Å; L185-F341 HydrophobicContact CG-CE2 4.49Å
186	S	96.6	Very high	97	Very high	18 Å²	18	30 Å²	30	13%	0.126	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	148.5	168.2	-169.8	0	0	0	0	110.7	K188 D189 Q192	S186-K188 PolarHBondContact O-N 3.43Å; S186-K188 PolarHBondContact OG-N 3.15Å; S186-D189 WeakPolarHBondContact CB-O 3.43Å; S186-D189 PolarHBondContact OG-N 3.14Å; S186-Q192 PolarHBondContact N-O 2.71Å
187	H	93.4	Very high	96.8	Very high	80 Å²	80	31.1 Å²	31.1	37%	0.37	16%	0.161	S	C	.	.	S	Bend	trans	-70.7	-17.7	168.1	-170.9	44.3	0	0	0	112.5	R133	R133-H187 HydrophobicContact CG-CB 4.4Å; R133-H187 PolarHBondContact NH1-NE2 2.77Å; R133-H187 PolarHBondContact NH2-CE1 2.76Å; R133-H187 PolarHBondContact NH2-NE2 2.78Å
188	K	92.9	Very high	96.7	Very high	170 Å²	170	30.7 Å²	30.7	74%	0.739	16%	0.159	S	C	*	.	S	Bend	trans	-112.2	-31.7	-173.1	-63	-176.3	178.8	-176.5	0	114.7	S186	S186-K188 PolarHBondContact O-N 3.43Å; S186-K188 PolarHBondContact OG-N 3.15Å
189	D	95.5	Very high	96.2	Very high	49 Å²	49	31.4 Å²	31.4	26%	0.262	17%	0.166	S	C	.	.			trans	-130.3	107.3	-179	-177.4	-2.8	0	0	0	110.9	S186 N191 Q192	S186-D189 WeakPolarHBondContact CB-O 3.43Å; S186-D189 PolarHBondContact OG-N 3.14Å; D189-N191 PolarHBondContact O-N 2.97Å; D189-N191 WeakPolarHBondContact OD1-CB 3.26Å; D189-N191 PolarHBondContact OD1-N 3.36Å; D189-Q192 HydrophobicContact CB-CB 4.36Å; D189-Q192 HydrophobicContact CB-CG 4.05Å; D189-Q192 PolarHBondContact O-N 2.97Å; D189-Q192 WeakPolarHBondContact OD2-CG 3.33Å; D189-Q192 PolarHBondContact OD2-NE2 2.79Å
190	P	94.4	Very high	95.9	Very high	82 Å²	82	34.6 Å²	34.6	53%	0.532	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-11.1	-177.6	29.4	-36.2	0	0	0	113.8
191	N	96.7	Very high	95.7	Very high	40 Å²	40	35.4 Å²	35.4	21%	0.214	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-4.3	176.2	-67	-48.2	0	0	0	113.9	D189 G337 Q338 L339	D189-N191 PolarHBondContact O-N 2.97Å; D189-N191 WeakPolarHBondContact OD1-CB 3.26Å; D189-N191 PolarHBondContact OD1-N 3.36Å; N191-G337 WeakPolarHBondContact CB-O 3.4Å; N191-Q338 PolarHBondContact ND2-OE1 3.07Å; N191-Q338 WeakPolarHBondContact OD1-CA 3.46Å; N191-Q338 PolarHBondContact OD1-OE1 2.95Å; N191-L339 VanDerWaalsContact O-CD1 3.31Å; N191-L339 WeakPolarHBondContact O-CD1 3.29Å; N191-L339 PolarHBondContact OD1-N 3.32Å
192	Q	97.8	Very high	95.6	Very high	51 Å²	51	37.1 Å²	37.1	24%	0.238	19%	0.192	C	C	.	.			trans	-102.4	120.1	176.9	-70.3	172.1	23.4	0	0	110.4	L185 S186 D189 Y194	L185-Q192 CarbonylContact C-O 3.31Å; L185-Q192 WeakPolarHBondContact CA-O 3.41Å; S186-Q192 PolarHBondContact N-O 2.71Å; D189-Q192 HydrophobicContact CB-CB 4.36Å; D189-Q192 HydrophobicContact CB-CG 4.05Å; D189-Q192 PolarHBondContact O-N 2.97Å; D189-Q192 WeakPolarHBondContact OD2-CG 3.33Å; D189-Q192 PolarHBondContact OD2-NE2 2.79Å; Q192-Y194 HydrophobicContact CB-CE2 4.07Å; Q192-Y194 PolarHBondContact OE1-OH 3Å
193	V	98.5	Very high	95.6	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	146.8	172.2	64.7	0	0	0	0	110.6	H107 G109 L138 L157 R160 L183 L184 L185 L339	H107-V193 PolarHBondContact NE2-O 2.86Å; G109-V193 VanDerWaalsContact CA-O 3.29Å; G109-V193 WeakPolarHBondContact CA-O 3.39Å; L138-V193 HydrophobicContact CD1-CG2 4.08Å; L157-V193 HydrophobicContact CD2-CB 4.24Å; L157-V193 HydrophobicContact CD2-CG1 4.09Å; L157-V193 HydrophobicContact CD2-CG2 4.26Å; R160-V193 HydrophobicContact CB-CG1 3.82Å; R160-V193 HydrophobicContact CG-CG1 4.44Å; L183-V193 HydrophobicContact CB-CG2 4.07Å; L183-V193 HydrophobicContact CD2-CG2 4.42Å; L184-V193 CarbonylContact O-C 3.59Å; L185-V193 HydrophobicContact CD2-CB 4.49Å; V193-L339 HydrophobicContact CB-CD1 4.17Å; V193-L339 HydrophobicContact CG1-CD1 4.5Å
194	Y	98.8	Very high	95.5	Very high	21 Å²	21	40.1 Å²	40.1	8%	0.082	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.8	178.1	-67.9	-100.8	0	0	0	110.4	H107 G109 P111 L134 L183 L184 Q192	H107-Y194 AromaticContact CE1-CE1 3.61Å; H107-Y194 AromaticContact CE1-CE2 3.75Å; H107-Y194 AromaticContact CE1-CZ 3.37Å; G109-Y194 CarbonylContact O-C 3.6Å; G109-Y194 WeakPolarHBondContact O-CA 3.43Å; P111-Y194 HydrophobicContact CG-CD1 4.31Å; L134-Y194 HydrophobicContact CD1-CG 4.2Å; L134-Y194 HydrophobicContact CD2-CD1 4.14Å; L134-Y194 HydrophobicContact CD2-CD2 3.42Å; L134-Y194 VanDerWaalsContact CD2-CD2 3.42Å; L134-Y194 HydrophobicContact CD2-CE1 4.41Å; L134-Y194 HydrophobicContact CD2-CE2 3.75Å; L134-Y194 HydrophobicContact CD2-CG 3.63Å; L183-Y194 CarbonylContact C-O 3.59Å; L183-Y194 WeakPolarHBondContact CA-O 3.48Å; L184-Y194 PolarHBondContact N-O 3.31Å; L184-Y194 PolarHBondContact O-N 3.03Å; Q192-Y194 HydrophobicContact CB-CE2 4.07Å; Q192-Y194 PolarHBondContact OE1-OH 3Å
195	L	98.7	Very high	95.5	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.9	170.6	-179.4	62.1	0	0	0	109.4	G109 P111 T164 L165 H175 I178 L183 Y198	G109-L195 PolarHBondContact O-N 3.04Å; P111-L195 VanDerWaalsContact CD-O 3.29Å; P111-L195 WeakPolarHBondContact CD-O 3.4Å; T164-L195 HydrophobicContact CG2-CB 3.98Å; T164-L195 HydrophobicContact CG2-CD2 4.21Å; L165-L195 HydrophobicContact CD2-CD2 4.24Å; H175-L195 HydrophobicContact CB-CD2 4.09Å; I178-L195 HydrophobicContact CG1-CD1 4.37Å; I178-L195 HydrophobicContact CG1-CD2 4.36Å; I178-L195 HydrophobicContact CG2-CD1 4.49Å; L183-L195 HydrophobicContact CD2-CB 4.08Å; L183-L195 HydrophobicContact CD2-CD1 3.65Å; L183-L195 HydrophobicContact CD2-CG 4.47Å; L195-Y198 VanDerWaalsContact O-CE2 3.27Å; L195-Y198 WeakPolarHBondContact O-CE2 3.42Å; L195-Y198 PolarHBondContact O-OH 2.73Å
196	V	96.2	Very high	95.4	Very high	21 Å²	21	40 Å²	40	13%	0.127	20%	0.204	C	C	.	.			trans	-131.2	172.8	-175.2	-45.4	0	0	0	0	111.7	P111 L134 H175 N182 L184	P111-V196 HydrophobicContact CG-CG1 3.92Å; L134-V196 HydrophobicContact CD1-CG1 3.5Å; L134-V196 VanDerWaalsContact CD1-CG1 3.5Å; H175-V196 PolarHBondContact NE2-O 3.15Å; H175-V196 VanDerWaalsContact NE2-O 3.15Å; N182-V196 WeakPolarHBondContact CB-O 3.43Å; N182-V196 PolarHBondContact O-N 3.14Å; L184-V196 HydrophobicContact CD1-CG1 4.38Å; L184-V196 HydrophobicContact CD1-CG2 3.61Å
197	D	92.6	Very high	95.3	Very high	35 Å²	35	45.1 Å²	45.1	19%	0.187	23%	0.23	C	C	.	.			trans	64.6	66.2	-176.4	-159.6	-2.9	0	0	0	113.6	H175 G199	H175-D197 PolarHBondContact NE2-O 3.38Å; D197-G199 PolarHBondContact O-N 3.46Å; D197-G199 PolarHBondContact OD1-N 2.93Å
198	Y	94.2	Very high	95.4	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-75.3	22.8	172.5	-61.2	-96.7	0	0	0	112.2	F86 Y87 I168 H175 L195 L200 A201	F86-Y198 AromaticContact CD1-CD1 3.47Å; F86-Y198 HydrophobicContact CD1-CD1 3.47Å; F86-Y198 VanDerWaalsContact CD1-CD1 3.47Å; F86-Y198 AromaticContact CD1-CD2 3.66Å; F86-Y198 HydrophobicContact CD1-CD2 3.66Å; F86-Y198 AromaticContact CD1-CE1 3.97Å; F86-Y198 HydrophobicContact CD1-CE1 3.97Å; F86-Y198 HydrophobicContact CD1-CE2 4.15Å; F86-Y198 AromaticContact CD1-CG 3.3Å; F86-Y198 HydrophobicContact CD1-CG 3.3Å; F86-Y198 AromaticContact CD2-CD1 3.88Å; F86-Y198 HydrophobicContact CD2-CD1 3.88Å; F86-Y198 HydrophobicContact CD2-CE1 4.32Å; F86-Y198 HydrophobicContact CD2-CG 4.47Å; F86-Y198 AromaticContact CE1-CD1 3.4Å; F86-Y198 HydrophobicContact CE1-CD1 3.4Å; F86-Y198 AromaticContact CE1-CD2 3.58Å; F86-Y198 HydrophobicContact CE1-CD2 3.58Å; F86-Y198 AromaticContact CE1-CE1 3.37Å; F86-Y198 HydrophobicContact CE1-CE1 3.37Å; F86-Y198 AromaticContact CE1-CE2 3.57Å; F86-Y198 HydrophobicContact CE1-CE2 3.57Å; F86-Y198 AromaticContact CE1-CG 3.52Å; F86-Y198 HydrophobicContact CE1-CG 3.52Å; F86-Y198 AromaticContact CE1-CZ 3.49Å; F86-Y198 VanDerWaalsContact CE1-CZ 3.49Å; F86-Y198 AromaticContact CE2-CD1 3.8Å; F86-Y198 HydrophobicContact CE2-CD1 3.8Å; F86-Y198 AromaticContact CE2-CE1 3.76Å; F86-Y198 HydrophobicContact CE2-CE1 3.76Å; F86-Y198 AromaticContact CG-CD1 3.73Å; F86-Y198 HydrophobicContact CG-CD1 3.73Å; F86-Y198 HydrophobicContact CG-CE1 4.42Å; F86-Y198 AromaticContact CG-CG 3.85Å; F86-Y198 HydrophobicContact CG-CG 3.85Å; F86-Y198 AromaticContact CZ-CD1 3.57Å; F86-Y198 HydrophobicContact CZ-CD1 3.57Å; F86-Y198 HydrophobicContact CZ-CD2 4.45Å; F86-Y198 AromaticContact CZ-CE1 3.24Å; F86-Y198 HydrophobicContact CZ-CE1 3.24Å; F86-Y198 HydrophobicContact CZ-CE2 4.21Å; F86-Y198 HydrophobicContact CZ-CG 4.19Å; F86-Y198 AromaticContact CZ-CZ 3.63Å; Y87-Y198 AromaticContact CE2-CD2 3.76Å; Y87-Y198 HydrophobicContact CE2-CD2 3.76Å; Y87-Y198 HydrophobicContact CE2-CE2 4.47Å; Y87-Y198 AromaticContact CZ-CD2 3.72Å; Y87-Y198 AromaticContact CZ-CE2 3.97Å; I168-Y198 HydrophobicContact CD1-CE1 4.44Å; I168-Y198 HydrophobicContact CG2-CE1 4.2Å; H175-Y198 AromaticContact CD2-CD1 3.58Å; H175-Y198 AromaticContact CD2-CE1 3.53Å; L195-Y198 VanDerWaalsContact O-CE2 3.27Å; L195-Y198 WeakPolarHBondContact O-CE2 3.42Å; L195-Y198 PolarHBondContact O-OH 2.73Å; Y198-L200 PolarHBondContact O-N 2.93Å; Y198-A201 HydrophobicContact CD1-CB 4.03Å; Y198-A201 HydrophobicContact CG-CB 4.41Å; Y198-A201 VanDerWaalsContact O-CB 3.28Å; Y198-A201 WeakPolarHBondContact O-CB 3.47Å; Y198-A201 PolarHBondContact O-N 3.42Å; Y198-A201 VanDerWaalsContact O-N 3.13Å
199	G	90	Very high	95.5	Very high	15 Å²	15	40.7 Å²	40.7	16%	0.155	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-65.2	-25.1	178.9	0	0	0	0	0	114.2	D197	D197-G199 PolarHBondContact O-N 3.46Å; D197-G199 PolarHBondContact OD1-N 2.93Å
200	L	90.5	Very high	95.6	Very high	76 Å²	76	41 Å²	41	40%	0.398	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-103	4.2	172.4	-62.8	-176.4	0	0	0	113.6	D177 Y198	D177-L200 HydrophobicContact CB-CB 4.46Å; D177-L200 HydrophobicContact CB-CD1 3.99Å; Y198-L200 PolarHBondContact O-N 2.93Å
201	A	94.3	Very high	95.6	Very high	17 Å²	17	41 Å²	41	14%	0.14	23%	0.227	C	C	.	.			trans	-64.9	140.2	-177.6	0	0	0	0	0	111.8	Y173 V174 Y198	Y173-A201 HydrophobicContact CD1-CB 4.28Å; V174-A201 CarbonylContact O-C 3.26Å; V174-A201 WeakPolarHBondContact O-CA 3.23Å; V174-A201 WeakPolarHBondContact O-CB 3.26Å; Y198-A201 HydrophobicContact CD1-CB 4.03Å; Y198-A201 HydrophobicContact CG-CB 4.41Å; Y198-A201 VanDerWaalsContact O-CB 3.28Å; Y198-A201 WeakPolarHBondContact O-CB 3.47Å; Y198-A201 PolarHBondContact O-N 3.42Å; Y198-A201 VanDerWaalsContact O-N 3.13Å
202	Y	95	Very high	95.6	Very high	68 Å²	68	45.1 Å²	45.1	27%	0.267	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.5	-172.3	-178.1	-103.9	0	0	0	111.1	Y173 V174 Y204 K211 P238	Y173-Y202 WeakPolarHBondContact CA-O 3.21Å; V174-Y202 HydrophobicContact CG2-CD1 4.39Å; V174-Y202 WeakPolarHBondContact CG2-O 3.34Å; V174-Y202 PolarHBondContact N-O 3.48Å; V174-Y202 PolarHBondContact O-N 3.06Å; Y202-Y204 PolarHBondContact O-N 3.47Å; Y202-K211 HydrophobicContact CE1-CG 4.07Å; Y202-P238 HydrophobicContact CD1-CG 4.25Å; Y202-P238 WeakPolarHBondContact CD1-O 3.4Å; Y202-P238 HydrophobicContact CG-CG 4.17Å
203	R	96.5	Very high	95.5	Very high	56 Å²	56	46.6 Å²	46.6	21%	0.211	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	91.4	173.9	-163.7	178.1	-178.3	-141.4	5.6	108.1	E172 Y173 P206 D207	E172-R203 HydrophobicContact CB-CG 4.11Å; E172-R203 CarbonylContact O-C 3.54Å; E172-R203 VanDerWaalsContact O-CA 3.24Å; E172-R203 WeakPolarHBondContact O-CA 3.4Å; E172-R203 IonicContact OE1-NH2 2.76Å; E172-R203 IonicContact OE2-CZ 3.17Å; E172-R203 IonicContact OE2-NE 2.84Å; E172-R203 PolarHBondContact OE2-NE 2.88Å; E172-R203 IonicContact OE2-NH2 2.76Å; E172-R203 PolarHBondContact OE2-NH2 2.79Å; Y173-R203 HydrophobicContact CD1-CB 4.23Å; Y173-R203 HydrophobicContact CE1-CB 3.86Å; Y173-R203 HydrophobicContact CE2-CB 4.39Å; Y173-R203 HydrophobicContact CE2-CG 4.16Å; R203-P206 HydrophobicContact CG-CB 3.99Å; R203-P206 WeakPolarHBondContact O-CD 3.43Å; R203-D207 IonicContact CZ-OD1 3.5Å; R203-D207 IonicContact CZ-OD2 2.76Å; R203-D207 IonicContact NH1-OD1 3.35Å; R203-D207 PolarHBondContact NH1-OD1 2.89Å; R203-D207 IonicContact NH1-OD2 3.41Å; R203-D207 PolarHBondContact NH1-OD2 2.81Å; R203-D207 VanDerWaalsContact NH2-CG 3.32Å; R203-D207 IonicContact NH2-OD1 2.73Å; R203-D207 PolarHBondContact NH2-OD1 3.5Å; R203-D207 IonicContact NH2-OD2 3.26Å
204	Y	97	Very high	95.3	Very high	13 Å²	13	54.2 Å²	54.2	5%	0.051	28%	0.282	C	S	.	.	S	Bend	trans	-80.7	-17.9	-173.4	81.4	-80.4	0	0	0	113.3	H169 E172 V174 Y202 L210 K211 R240	H169-Y204 WeakPolarHBondContact O-CE1 3.4Å; H169-Y204 PolarHBondContact O-OH 3.14Å; E172-Y204 VanDerWaalsContact C-CD1 3.4Å; E172-Y204 WeakPolarHBondContact O-CD1 3.31Å; E172-Y204 WeakPolarHBondContact O-CE1 3.22Å; E172-Y204 PolarHBondContact O-N 2.76Å; V174-Y204 HydrophobicContact CG1-CD1 3.71Å; V174-Y204 HydrophobicContact CG1-CE1 4.36Å; V174-Y204 HydrophobicContact CG1-CG 4.06Å; Y202-Y204 PolarHBondContact O-N 3.47Å; Y204-L210 HydrophobicContact CD2-CD2 4.06Å; Y204-L210 HydrophobicContact CE2-CD2 3.66Å; Y204-K211 WeakPolarHBondContact O-CG 3.48Å; Y204-K211 PolarHBondContact O-N 3.39Å; Y204-R240 HydrophobicContact CD2-CG 4.33Å; Y204-R240 HydrophobicContact CE1-CG 4.11Å; Y204-R240 HydrophobicContact CE2-CG 3.7Å; Y204-R240 VanDerWaalsContact OH-CD 3.31Å; Y204-R240 WeakPolarHBondContact OH-CD 3.49Å; Y204-R240 PolarHBondContact OH-NH1 2.87Å; Y204-R240 VanDerWaalsContact OH-NH1 3.1Å
205	A	97.1	Very high	95.1	Very high	4 Å²	4	57.7 Å²	57.7	3%	0.033	30%	0.299	C	S	.	.	S	Bend	trans	-134	49.4	-176.7	0	0	0	0	0	112.6	E172 D207 G208 V209 L210	E172-A205 HydrophobicContact CB-CB 4.08Å; E172-A205 WeakPolarHBondContact CB-O 3.31Å; E172-A205 HydrophobicContact CG-CB 4.35Å; E172-A205 VanDerWaalsContact CG-O 3.25Å; E172-A205 WeakPolarHBondContact CG-O 3.41Å; E172-A205 VanDerWaalsContact OE1-O 3.07Å; A205-D207 PolarHBondContact O-N 2.95Å; A205-D207 VanDerWaalsContact O-N 3.16Å; A205-G208 PolarHBondContact O-N 2.95Å; A205-V209 CarbonylContact C-O 3.55Å; A205-V209 WeakPolarHBondContact CA-O 3.45Å; A205-L210 HydrophobicContact CB-CD2 3.68Å
206	P	96.3	Very high	94.6	Very high	21 Å²	21	60 Å²	60	14%	0.136	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-58.9	123.3	-172.6	25.4	-35.3	0	0	0	111.8	R203 G208 V209	R203-P206 HydrophobicContact CG-CB 3.99Å; R203-P206 WeakPolarHBondContact O-CD 3.43Å; P206-G208 PolarHBondContact O-N 3.44Å; P206-V209 VanDerWaalsContact CD-O 3.3Å; P206-V209 WeakPolarHBondContact CD-O 3.38Å; P206-V209 PolarHBondContact O-N 3.33Å; P206-V209 VanDerWaalsContact O-N 3.08Å
207	D	95.8	Very high	94.1	Very high	125 Å²	125	63.2 Å²	63.2	67%	0.668	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	60.6	39.6	178.1	-44.4	-65.1	0	0	0	110.3	E172 R203 A205 V209	E172-D207 WeakPolarHBondContact OE1-CA 3.39Å; E172-D207 PolarHBondContact OE1-N 2.87Å; R203-D207 IonicContact CZ-OD1 3.5Å; R203-D207 IonicContact CZ-OD2 2.76Å; R203-D207 IonicContact NH1-OD1 3.35Å; R203-D207 PolarHBondContact NH1-OD1 2.89Å; R203-D207 IonicContact NH1-OD2 3.41Å; R203-D207 PolarHBondContact NH1-OD2 2.81Å; R203-D207 VanDerWaalsContact NH2-CG 3.32Å; R203-D207 IonicContact NH2-OD1 2.73Å; R203-D207 PolarHBondContact NH2-OD1 3.5Å; R203-D207 IonicContact NH2-OD2 3.26Å; A205-D207 PolarHBondContact O-N 2.95Å; A205-D207 VanDerWaalsContact O-N 3.16Å; D207-V209 PolarHBondContact O-N 3.14Å
208	G	94.1	Very high	93.6	Very high	57 Å²	57	69.8 Å²	69.8	59%	0.588	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	75.5	-9.7	-173.9	0	0	0	0	0	116.1	E172 A205 P206 L210	E172-G208 PolarHBondContact OE1-N 3.21Å; A205-G208 PolarHBondContact O-N 2.95Å; P206-G208 PolarHBondContact O-N 3.44Å; G208-L210 PolarHBondContact O-N 3.37Å
209	V	96.5	Very high	93.1	Very high	100 Å²	100	74.5 Å²	74.5	61%	0.606	38%	0.38	S	S	*	.			trans	-87.5	102.3	-172.1	-174.9	0	0	0	0	111.5	A205 P206 D207 K211	A205-V209 CarbonylContact C-O 3.55Å; A205-V209 WeakPolarHBondContact CA-O 3.45Å; P206-V209 VanDerWaalsContact CD-O 3.3Å; P206-V209 WeakPolarHBondContact CD-O 3.38Å; P206-V209 PolarHBondContact O-N 3.33Å; P206-V209 VanDerWaalsContact O-N 3.08Å; D207-V209 PolarHBondContact O-N 3.14Å; V209-K211 PolarHBondContact O-N 3.42Å
210	L	95.9	Very high	92.7	Very high	56 Å²	56	75.3 Å²	75.3	29%	0.293	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-55.6	133.7	176.1	-60.7	-175.7	0	0	0	112.1	Y204 A205 G208 K312	Y204-L210 HydrophobicContact CD2-CD2 4.06Å; Y204-L210 HydrophobicContact CE2-CD2 3.66Å; A205-L210 HydrophobicContact CB-CD2 3.68Å; G208-L210 PolarHBondContact O-N 3.37Å; L210-K312 HydrophobicContact CB-CD 4.41Å; L210-K312 HydrophobicContact CB-CG 4.47Å; L210-K312 HydrophobicContact CD1-CB 3.81Å; L210-K312 HydrophobicContact CD1-CD 4.21Å; L210-K312 HydrophobicContact CD1-CG 4.1Å
211	K	94.7	Very high	92.4	Very high	83 Å²	83	74.2 Å²	74.2	36%	0.361	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-68.1	149.1	171.6	-65	-64.3	179.1	-155.2	0	111.6	Y202 Y204 V209 Y311	Y202-K211 HydrophobicContact CE1-CG 4.07Å; Y204-K211 WeakPolarHBondContact O-CG 3.48Å; Y204-K211 PolarHBondContact O-N 3.39Å; V209-K211 PolarHBondContact O-N 3.42Å; K211-Y311 WeakPolarHBondContact O-CE1 3.33Å
212	E	96.3	Very high	91.8	Very high	126 Å²	126	78 Å²	78	59%	0.589	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-75.8	153.3	172.2	-64.5	-53.2	144.6	0	0	112.2	K214 Y311 K312	E212-K214 PolarHBondContact O-N 3.42Å; E212-Y311 VanDerWaalsContact C-CE1 3.48Å; E212-Y311 PolarHBondContact O-OH 2.97Å; E212-K312 IonicContact OE1-NZ 3.8Å; E212-K312 PolarHBondContact OE1-NZ 3.35Å; E212-K312 WeakPolarHBondContact OE2-CE 3.38Å; E212-K312 IonicContact OE2-NZ 3.52Å; E212-K312 PolarHBondContact OE2-NZ 3.13Å
213	Y	96.8	Very high	91.6	Very high	82 Å²	82	75.8 Å²	75.8	32%	0.322	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-70	119.5	168.1	-177.4	-92.1	0	0	0	108.9	E215 K234 A236 Y311	Y213-E215 HydrophobicContact CE1-CG 3.84Å; Y213-E215 PolarHBondContact OH-OE1 3.09Å; Y213-K234 VanDerWaalsContact OH-CD 3.28Å; Y213-K234 WeakPolarHBondContact OH-CD 3.34Å; Y213-A236 HydrophobicContact CD2-CB 4.11Å; Y213-A236 HydrophobicContact CE2-CB 3.64Å; Y213-Y311 HydrophobicContact CD2-CD1 4.34Å; Y213-Y311 AromaticContact CD2-CD2 3.65Å; Y213-Y311 HydrophobicContact CD2-CD2 3.65Å; Y213-Y311 AromaticContact CD2-CE2 3.92Å; Y213-Y311 HydrophobicContact CD2-CE2 3.92Å; Y213-Y311 AromaticContact CD2-CG 3.84Å; Y213-Y311 HydrophobicContact CD2-CG 3.84Å; Y213-Y311 HydrophobicContact CE2-CD2 4.43Å; Y213-Y311 HydrophobicContact CG-CG 4.43Å
214	K	94.3	Very high	91.5	Very high	161 Å²	161	73.7 Å²	73.7	70%	0.7	39%	0.385	S	S	*	.			trans	-152.5	118.7	176.9	-177.8	174.6	-179	173	0	110.7	E212 A236	E212-K214 PolarHBondContact O-N 3.42Å; K214-A236 WeakPolarHBondContact O-CA 3.23Å
215	E	94.4	Very high	91.5	Very high	94 Å²	94	74.2 Å²	74.2	44%	0.439	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-75.1	129.9	173.6	-63.9	179	-162.2	0	0	110.8	Y213 K234 A236	Y213-E215 HydrophobicContact CE1-CG 3.84Å; Y213-E215 PolarHBondContact OH-OE1 3.09Å; E215-K234 HydrophobicContact CG-CB 4.03Å; E215-A236 HydrophobicContact CG-CB 4.43Å
216	D	89.1	Confident	91.5	Very high	50 Å²	50	75.5 Å²	75.5	27%	0.267	39%	0.394	S	S	.	.			trans	-119	105.7	168.3	-177.1	-6.5	0	0	0	109.3	K218 K219 G235	D216-K218 PolarHBondContact O-N 3.2Å; D216-K218 VanDerWaalsContact OD1-CB 3.27Å; D216-K218 WeakPolarHBondContact OD1-CB 3.46Å; D216-K218 WeakPolarHBondContact OD1-CG 3.36Å; D216-K218 PolarHBondContact OD1-N 3.35Å; D216-K219 HydrophobicContact CB-CB 4.45Å; D216-K219 HydrophobicContact CB-CD 4.21Å; D216-K219 HydrophobicContact CB-CG 4.21Å; D216-K219 PolarHBondContact O-N 3.34Å; D216-K219 WeakPolarHBondContact OD2-CE 3.2Å; D216-G235 PolarHBondContact N-O 3.45Å
217	P	84.5	Confident	91.6	Very high	88 Å²	88	74.9 Å²	74.9	57%	0.571	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-5.1	176.6	-27.7	36.5	0	0	0	116	R421	P217-R421 PolarHBondContact O-NH1 3.38Å; P217-R421 VanDerWaalsContact O-NH1 3.16Å; P217-R421 PolarHBondContact O-NH2 2.73Å
218	K	82.8	Confident	91.7	Very high	173 Å²	173	69.1 Å²	69.1	75%	0.752	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-14.1	171.8	-59.3	174.9	-177.8	173.5	0	113.4	D216	D216-K218 PolarHBondContact O-N 3.2Å; D216-K218 VanDerWaalsContact OD1-CB 3.27Å; D216-K218 WeakPolarHBondContact OD1-CB 3.46Å; D216-K218 WeakPolarHBondContact OD1-CG 3.36Å; D216-K218 PolarHBondContact OD1-N 3.35Å
219	K	82.4	Confident	91.9	Very high	100 Å²	100	66.5 Å²	66.5	44%	0.435	33%	0.331	S	S	.	.	S	Bend	trans	-116.7	10.2	-176.4	-55.2	-177.6	-174	178.9	0	114	D216	D216-K219 HydrophobicContact CB-CB 4.45Å; D216-K219 HydrophobicContact CB-CD 4.21Å; D216-K219 HydrophobicContact CB-CG 4.21Å; D216-K219 PolarHBondContact O-N 3.34Å; D216-K219 WeakPolarHBondContact OD2-CE 3.2Å
220	C	82.4	Confident	92	Very high	31 Å²	31	62.2 Å²	62.2	21%	0.209	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	138.9	176.1	-60.9	0	0	0	0	111.2	D222	C220-D222 VanDerWaalsContact C-N 3.34Å
221	H	84.6	Confident	92	Very high	54 Å²	54	59.9 Å²	59.9	25%	0.25	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	24.4	173.7	-35	-65.7	0	0	0	114.6	A232 H233 P268	H221-A232 PolarHBondContact N-O 2.83Å; H221-H233 AromaticContact CE1-ND1 3.6Å; H221-H233 PolarHBondContact CE1-O 3.35Å; H221-H233 AromaticContact ND1-CE1 3.94Å; H221-H233 AromaticContact ND1-CG 3.74Å; H221-H233 AromaticContact ND1-ND1 2.89Å; H221-H233 PolarHBondContact ND1-ND1 3.46Å; H221-P268 HydrophobicContact CB-CB 4.41Å; H221-P268 VanDerWaalsContact CE1-CB 3.48Å; H221-P268 WeakPolarHBondContact CE1-CB 3.15Å; H221-P268 WeakPolarHBondContact ND1-CB 3.34Å
222	D	81.8	Confident	92.1	Very high	95 Å²	95	56.3 Å²	56.3	51%	0.508	28%	0.279	S	S	.	.			trans	-62.7	147	165.5	-75.5	-18.4	0	0	0	110.6	C220 T228	C220-D222 VanDerWaalsContact C-N 3.34Å; D222-T228 WeakPolarHBondContact O-CB 3.41Å; D222-T228 PolarHBondContact O-OG1 2.92Å
223	G	89.9	Confident	92.1	Very high	23 Å²	23	50.4 Å²	50.4	24%	0.237	25%	0.251	C	S	.	.	S	Bend	trans	87.3	-174.8	-172.3	0	0	0	0	0	114.2	I225	G223-I225 PolarHBondContact O-N 2.67Å
224	T	95	Very high	92.1	Very high	11 Å²	11	49.9 Å²	49.9	7%	0.067	25%	0.25	C	S	.	.			trans	-77.7	114.9	-178.1	-59.9	0	0	0	0	111	D177 K179 E226 F227 T228	D177-T224 WeakPolarHBondContact OD1-CB 3.4Å; D177-T224 PolarHBondContact OD1-N 2.95Å; D177-T224 PolarHBondContact OD1-OG1 3.05Å; K179-T224 HydrophobicContact CD-CG2 4.09Å; K179-T224 WeakPolarHBondContact CD-OG1 3.25Å; K179-T224 PolarHBondContact NZ-OG1 3.03Å; T224-E226 VanDerWaalsContact C-N 3.34Å; T224-E226 HydrophobicContact CG2-CG 3.97Å; T224-E226 VanDerWaalsContact CG2-OE1 3.28Å; T224-E226 WeakPolarHBondContact CG2-OE1 3.44Å; T224-E226 VanDerWaalsContact CG2-OE2 3.25Å; T224-E226 WeakPolarHBondContact CG2-OE2 3.22Å; T224-E226 PolarHBondContact O-N 3.08Å; T224-F227 HydrophobicContact CG2-CD2 3.57Å; T224-F227 HydrophobicContact CG2-CE2 3.95Å; T224-F227 PolarHBondContact O-N 3.18Å; T224-T228 WeakPolarHBondContact O-CB 3.29Å; T224-T228 PolarHBondContact O-N 2.78Å
225	I	97.1	Very high	92.1	Very high	24 Å²	24	42.3 Å²	42.3	12%	0.123	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-39.2	-163.7	-177.3	151.8	0	0	0	114.7	G223 F227 H233 L265 P268 V271 K275	G223-I225 PolarHBondContact O-N 2.67Å; I225-F227 VanDerWaalsContact C-N 3.32Å; I225-F227 PolarHBondContact O-N 2.67Å; I225-H233 WeakPolarHBondContact CG1-CE1 3.49Å; I225-H233 PolarHBondContact O-NE2 3.16Å; I225-L265 WeakPolarHBondContact CD1-O 3.4Å; I225-L265 HydrophobicContact CG2-CB 4.04Å; I225-L265 HydrophobicContact CG2-CD1 4.42Å; I225-L265 HydrophobicContact CG2-CD2 4.31Å; I225-L265 HydrophobicContact CG2-CG 4.46Å; I225-P268 HydrophobicContact CD1-CB 3.84Å; I225-P268 HydrophobicContact CD1-CG 3.76Å; I225-V271 HydrophobicContact CG1-CB 4.45Å; I225-V271 HydrophobicContact CG1-CG1 4.23Å; I225-V271 HydrophobicContact CG1-CG2 4.32Å; I225-V271 WeakPolarHBondContact O-CG1 3.27Å; I225-K275 PolarHBondContact O-NZ 2.81Å
226	E	97.3	Very high	92.2	Very high	32 Å²	32	38.1 Å²	38.1	15%	0.15	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-32.5	177.2	60.1	-89.7	-147.1	0	0	112.7	T224 W261 L265 K275	T224-E226 VanDerWaalsContact C-N 3.34Å; T224-E226 HydrophobicContact CG2-CG 3.97Å; T224-E226 VanDerWaalsContact CG2-OE1 3.28Å; T224-E226 WeakPolarHBondContact CG2-OE1 3.44Å; T224-E226 VanDerWaalsContact CG2-OE2 3.25Å; T224-E226 WeakPolarHBondContact CG2-OE2 3.22Å; T224-E226 PolarHBondContact O-N 3.08Å; E226-W261 PolarHBondContact O-NE1 3.37Å; E226-L265 HydrophobicContact CB-CD1 4.02Å; E226-L265 HydrophobicContact CB-CD2 3.72Å; E226-K275 WeakPolarHBondContact O-CE 3.31Å; E226-K275 PolarHBondContact O-NZ 2.84Å
227	F	98.3	Very high	92.4	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.035	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-28.4	-176.2	-48.9	-59.7	0	0	0	114.8	K179 T224 I225 I246 F249 Q253 L259 K275	K179-F227 HydrophobicContact CB-CD2 3.71Å; K179-F227 HydrophobicContact CB-CE2 3.73Å; T224-F227 HydrophobicContact CG2-CD2 3.57Å; T224-F227 HydrophobicContact CG2-CE2 3.95Å; T224-F227 PolarHBondContact O-N 3.18Å; I225-F227 VanDerWaalsContact C-N 3.32Å; I225-F227 PolarHBondContact O-N 2.67Å; F227-I246 HydrophobicContact CB-CG2 3.94Å; F227-I246 WeakPolarHBondContact O-CG1 3.49Å; F227-F249 WeakPolarHBondContact O-CD2 3.38Å; F227-Q253 HydrophobicContact CE1-CB 4.3Å; F227-Q253 VanDerWaalsContact CE1-CD 3.5Å; F227-Q253 HydrophobicContact CE1-CG 4.42Å; F227-Q253 VanDerWaalsContact CZ-OE1 3.23Å; F227-L259 HydrophobicContact CD1-CD1 3.93Å; F227-L259 HydrophobicContact CE1-CD1 3.96Å; F227-K275 VanDerWaalsContact C-NZ 3.29Å
228	T	98	Very high	93	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.025	17%	0.174	C	C	.	.			trans	-55.3	147.3	-170.7	-166	0	0	0	0	113.4	D222 T224 A232 H233 K275	D222-T228 WeakPolarHBondContact O-CB 3.41Å; D222-T228 PolarHBondContact O-OG1 2.92Å; T224-T228 WeakPolarHBondContact O-CB 3.29Å; T224-T228 PolarHBondContact O-N 2.78Å; T228-A232 VanDerWaalsContact OG1-CB 3.24Å; T228-A232 WeakPolarHBondContact OG1-CB 3.42Å; T228-H233 WeakPolarHBondContact CG2-NE2 3.45Å; T228-H233 PolarHBondContact O-NE2 3.47Å; T228-K275 PolarHBondContact O-NZ 2.74Å
229	S	98.1	Very high	93.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	14%	0.139	C	C	.	.			trans	-68.7	161.7	-170.7	75	0	0	0	0	113	D231 A232 H233 S242	S229-D231 VanDerWaalsContact C-N 3.26Å; S229-D231 PolarHBondContact O-N 2.76Å; S229-A232 PolarHBondContact O-N 2.78Å; S229-A232 PolarHBondContact OG-N 2.86Å; S229-A232 VanDerWaalsContact OG-N 3.12Å; S229-H233 PolarHBondContact O-CD2 3.14Å; S229-H233 VanDerWaalsContact O-CD2 3.28Å; S229-H233 PolarHBondContact O-N 2.99Å; S229-S242 WeakPolarHBondContact CB-OG 3.34Å; S229-S242 VanDerWaalsContact OG-CB 3.31Å; S229-S242 WeakPolarHBondContact OG-CB 3.49Å; S229-S242 PolarHBondContact OG-OG 2.97Å
230	I	97.8	Very high	94.5	Very high	11 Å²	11	21.7 Å²	21.7	6%	0.056	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-35.8	174.5	-61.3	-179.5	0	0	0	110.5	A232 H233 K234 K275 I276 Q279	I230-A232 PolarHBondContact O-N 2.67Å; I230-H233 PolarHBondContact O-N 3.32Å; I230-K234 HydrophobicContact CG2-CD 4.31Å; I230-K234 WeakPolarHBondContact O-CG 3.38Å; I230-K234 PolarHBondContact O-N 2.77Å; I230-K275 HydrophobicContact CD1-CB 4.03Å; I230-K275 HydrophobicContact CG1-CB 3.84Å; I230-I276 HydrophobicContact CD1-CB 4.45Å; I230-I276 HydrophobicContact CD1-CG1 3.87Å; I230-I276 HydrophobicContact CG1-CG1 4.47Å; I230-I276 HydrophobicContact CG2-CD1 4.34Å; I230-I276 HydrophobicContact CG2-CG1 3.85Å; I230-Q279 HydrophobicContact CD1-CB 4.34Å
231	D	97.1	Very high	95.3	Very high	6 Å²	6	23 Å²	23	3%	0.032	12%	0.122	C	C	.	.	H	α-helix	trans	-58.4	-46.8	173.1	-67.6	-31	0	0	0	110.4	S229 K234 G235 A236 R241 S242	S229-D231 VanDerWaalsContact C-N 3.26Å; S229-D231 PolarHBondContact O-N 2.76Å; D231-K234 CarbonylContact O-C 3.43Å; D231-K234 WeakPolarHBondContact O-CB 3.37Å; D231-K234 PolarHBondContact O-N 2.95Å; D231-K234 VanDerWaalsContact O-N 3.13Å; D231-G235 PolarHBondContact O-N 3.42Å; D231-G235 VanDerWaalsContact O-N 3.11Å; D231-A236 HydrophobicContact CB-CB 4.15Å; D231-A236 WeakPolarHBondContact O-CB 3.22Å; D231-A236 PolarHBondContact O-N 3.48Å; D231-R241 IonicContact OD1-CZ 2.77Å; D231-R241 IonicContact OD1-NE 2.71Å; D231-R241 IonicContact OD1-NH2 2.68Å; D231-R241 PolarHBondContact OD1-NH2 3.18Å; D231-R241 IonicContact OD2-CZ 2.76Å; D231-R241 IonicContact OD2-NE 3.76Å; D231-R241 PolarHBondContact OD2-NE 3.41Å; D231-R241 IonicContact OD2-NH2 2.7Å; D231-R241 PolarHBondContact OD2-NH2 3.42Å; D231-S242 PolarHBondContact OD2-OG 3.23Å
232	A	96.1	Very high	95.9	Very high	9 Å²	9	20.4 Å²	20.4	7%	0.074	11%	0.11	C	C	.	.	H	α-helix	trans	-66.6	-37.2	176	0	0	0	0	0	113.2	H221 T228 S229 I230 K234 G235	H221-A232 PolarHBondContact N-O 2.83Å; T228-A232 VanDerWaalsContact OG1-CB 3.24Å; T228-A232 WeakPolarHBondContact OG1-CB 3.42Å; S229-A232 PolarHBondContact O-N 2.78Å; S229-A232 PolarHBondContact OG-N 2.86Å; S229-A232 VanDerWaalsContact OG-N 3.12Å; I230-A232 PolarHBondContact O-N 2.67Å; A232-K234 PolarHBondContact O-N 3.36Å; A232-G235 PolarHBondContact O-N 2.66Å
233	H	97.1	Very high	96.7	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.009	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-31.7	170.9	-86.3	-78.8	0	0	0	113	H221 I225 T228 S229 I230 G235 P268 V271 R272 K275	H221-H233 AromaticContact CE1-ND1 3.6Å; H221-H233 PolarHBondContact CE1-O 3.35Å; H221-H233 AromaticContact ND1-CE1 3.94Å; H221-H233 AromaticContact ND1-CG 3.74Å; H221-H233 AromaticContact ND1-ND1 2.89Å; H221-H233 PolarHBondContact ND1-ND1 3.46Å; I225-H233 WeakPolarHBondContact CG1-CE1 3.49Å; I225-H233 PolarHBondContact O-NE2 3.16Å; T228-H233 WeakPolarHBondContact CG2-NE2 3.45Å; T228-H233 PolarHBondContact O-NE2 3.47Å; S229-H233 PolarHBondContact O-CD2 3.14Å; S229-H233 VanDerWaalsContact O-CD2 3.28Å; S229-H233 PolarHBondContact O-N 2.99Å; I230-H233 PolarHBondContact O-N 3.32Å; H233-G235 VanDerWaalsContact C-N 3.28Å; H233-P268 PolarHBondContact CE1-O 2.9Å; H233-P268 PolarHBondContact ND1-O 3.41Å; H233-V271 VanDerWaalsContact CE1-CB 3.4Å; H233-V271 WeakPolarHBondContact CE1-CB 3.33Å; H233-V271 WeakPolarHBondContact CE1-CG1 3.44Å; H233-V271 WeakPolarHBondContact NE2-CG1 3.39Å; H233-R272 HydrophobicContact CB-CB 3.87Å; H233-R272 HydrophobicContact CB-CG 3.69Å; H233-K275 WeakPolarHBondContact NE2-CD 3.28Å; H233-K275 WeakPolarHBondContact NE2-CE 3.37Å; H233-K275 PolarHBondContact NE2-NZ 2.92Å
234	K	95.1	Very high	97.2	Very high	71 Å²	71	14.8 Å²	14.8	31%	0.309	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.5	172.6	-67.1	174.4	176.8	-175	0	113.2	Y213 E215 I230 D231 A232 A236	Y213-K234 VanDerWaalsContact OH-CD 3.28Å; Y213-K234 WeakPolarHBondContact OH-CD 3.34Å; E215-K234 HydrophobicContact CG-CB 4.03Å; I230-K234 HydrophobicContact CG2-CD 4.31Å; I230-K234 WeakPolarHBondContact O-CG 3.38Å; I230-K234 PolarHBondContact O-N 2.77Å; D231-K234 CarbonylContact O-C 3.43Å; D231-K234 WeakPolarHBondContact O-CB 3.37Å; D231-K234 PolarHBondContact O-N 2.95Å; D231-K234 VanDerWaalsContact O-N 3.13Å; A232-K234 PolarHBondContact O-N 3.36Å; K234-A236 PolarHBondContact O-N 3.44Å
235	G	94.8	Very high	97.3	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.01	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	17.7	-175.4	0	0	0	0	0	113.4	D216 D231 A232 H233	D216-G235 PolarHBondContact N-O 3.45Å; D231-G235 PolarHBondContact O-N 3.42Å; D231-G235 VanDerWaalsContact O-N 3.11Å; A232-G235 PolarHBondContact O-N 2.66Å; H233-G235 VanDerWaalsContact C-N 3.28Å
236	A	96	Very high	97.4	Very high	7 Å²	7	14 Å²	14	6%	0.058	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-70.7	153.5	165	0	0	0	0	0	109.9	Y213 K214 E215 D231 K234	Y213-A236 HydrophobicContact CD2-CB 4.11Å; Y213-A236 HydrophobicContact CE2-CB 3.64Å; K214-A236 WeakPolarHBondContact O-CA 3.23Å; E215-A236 HydrophobicContact CG-CB 4.43Å; D231-A236 HydrophobicContact CB-CB 4.15Å; D231-A236 WeakPolarHBondContact O-CB 3.22Å; D231-A236 PolarHBondContact O-N 3.48Å; K234-A236 PolarHBondContact O-N 3.44Å
237	S	94.9	Very high	97.5	Very high	23 Å²	23	12.5 Å²	12.5	16%	0.161	6%	0.063	C	C	.	.	P	Polyproline II helix	trans	-68.2	144.2	173.6	-57.9	0	0	0	0	109.3	Y311	S237-Y311 VanDerWaalsContact O-CE2 3.28Å; S237-Y311 WeakPolarHBondContact O-CE2 3.32Å; S237-Y311 PolarHBondContact O-OH 2.88Å
238	P	96.3	Very high	97.5	Very high	21 Å²	21	12.2 Å²	12.2	14%	0.136	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-70.2	142.4	-179.4	28.9	-34.5	0	0	0	110.8	V174 A176 Y202	V174-P238 HydrophobicContact CG2-CB 3.87Å; V174-P238 HydrophobicContact CG2-CG 3.78Å; A176-P238 HydrophobicContact CB-CB 3.93Å; A176-P238 HydrophobicContact CB-CG 3.82Å; Y202-P238 HydrophobicContact CD1-CG 4.25Å; Y202-P238 WeakPolarHBondContact CD1-O 3.4Å; Y202-P238 HydrophobicContact CG-CG 4.17Å
239	S	98.1	Very high	97.6	Very high	5 Å²	5	12 Å²	12	4%	0.035	6%	0.061	C	C	.	.			trans	-127.6	179.6	172	84.6	0	0	0	0	110.7	V174 R241 S242 Y311	V174-S239 VanDerWaalsContact CG1-C 3.47Å; S239-R241 PolarHBondContact O-N 3.06Å; S239-R241 VanDerWaalsContact O-N 3.07Å; S239-S242 WeakPolarHBondContact O-CA 3.41Å; S239-S242 WeakPolarHBondContact O-CB 3.31Å; S239-S242 PolarHBondContact O-N 3.25Å; S239-Y311 VanDerWaalsContact CB-O 3.26Å; S239-Y311 WeakPolarHBondContact CB-O 3.28Å; S239-Y311 WeakPolarHBondContact OG-CD2 3.24Å; S239-Y311 PolarHBondContact OG-O 2.89Å
240	R	98.8	Very high	97.6	Very high	17 Å²	17	12 Å²	12	6%	0.064	6%	0.06	C	C	.	.	H	α-helix	trans	-52.3	-35	-174	-60.4	-177.5	-83.4	-149.3	2	114.2	H169 Y204 S242 L244 K312 D313 T314 P315	H169-R240 HydrophobicContact CB-CG 4.06Å; Y204-R240 HydrophobicContact CD2-CG 4.33Å; Y204-R240 HydrophobicContact CE1-CG 4.11Å; Y204-R240 HydrophobicContact CE2-CG 3.7Å; Y204-R240 VanDerWaalsContact OH-CD 3.31Å; Y204-R240 WeakPolarHBondContact OH-CD 3.49Å; Y204-R240 PolarHBondContact OH-NH1 2.87Å; Y204-R240 VanDerWaalsContact OH-NH1 3.1Å; R240-S242 VanDerWaalsContact C-N 3.33Å; R240-L244 PolarHBondContact O-N 3.44Å; R240-K312 PolarHBondContact NH2-O 3.42Å; R240-D313 VanDerWaalsContact CZ-O 3.27Å; R240-D313 PolarHBondContact NE-O 2.6Å; R240-D313 PolarHBondContact NH2-O 3.3Å; R240-T314 PolarHBondContact NH1-OG1 3.35Å; R240-T314 PolarHBondContact NH2-OG1 3.41Å; R240-P315 HydrophobicContact CB-CG 3.76Å
241	R	98.4	Very high	97.7	Very high	57 Å²	57	11.5 Å²	11.5	22%	0.215	6%	0.058	C	C	.	.	H	α-helix	trans	-70.2	-27.1	176.7	76.4	179.3	-172	-177.4	1	113.3	D231 S239 Q245 L309	D231-R241 IonicContact OD1-CZ 2.77Å; D231-R241 IonicContact OD1-NE 2.71Å; D231-R241 IonicContact OD1-NH2 2.68Å; D231-R241 PolarHBondContact OD1-NH2 3.18Å; D231-R241 IonicContact OD2-CZ 2.76Å; D231-R241 IonicContact OD2-NE 3.76Å; D231-R241 PolarHBondContact OD2-NE 3.41Å; D231-R241 IonicContact OD2-NH2 2.7Å; D231-R241 PolarHBondContact OD2-NH2 3.42Å; S239-R241 PolarHBondContact O-N 3.06Å; S239-R241 VanDerWaalsContact O-N 3.07Å; R241-Q245 WeakPolarHBondContact O-CB 3.14Å; R241-Q245 PolarHBondContact O-N 2.92Å; R241-L309 HydrophobicContact CB-CB 3.92Å; R241-L309 HydrophobicContact CB-CD1 4Å; R241-L309 VanDerWaalsContact CD-O 3.23Å; R241-L309 WeakPolarHBondContact CD-O 3.22Å; R241-L309 PolarHBondContact NH1-O 3.46Å
242	S	98.4	Very high	97.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.3	-48.7	176	-73.3	0	0	0	0	110.8	S229 D231 S239 R240 L244 Q245 I246	S229-S242 WeakPolarHBondContact CB-OG 3.34Å; S229-S242 VanDerWaalsContact OG-CB 3.31Å; S229-S242 WeakPolarHBondContact OG-CB 3.49Å; S229-S242 PolarHBondContact OG-OG 2.97Å; D231-S242 PolarHBondContact OD2-OG 3.23Å; S239-S242 WeakPolarHBondContact O-CA 3.41Å; S239-S242 WeakPolarHBondContact O-CB 3.31Å; S239-S242 PolarHBondContact O-N 3.25Å; R240-S242 VanDerWaalsContact C-N 3.33Å; S242-L244 VanDerWaalsContact C-N 3.34Å; S242-L244 PolarHBondContact O-N 3.02Å; S242-Q245 PolarHBondContact O-N 3.3Å; S242-I246 WeakPolarHBondContact O-CD1 3.26Å; S242-I246 WeakPolarHBondContact O-CG1 3.42Å; S242-I246 PolarHBondContact O-N 2.94Å
243	D	98.9	Very high	97.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.4	-41.4	178.6	-84.9	16.4	0	0	0	112.2	L165 H169 H175 A176 I178 I246 L247	L165-D243 HydrophobicContact CD1-CB 4.26Å; L165-D243 HydrophobicContact CD2-CB 4.11Å; H169-D243 IonicContact NE2-OD2 3.13Å; H169-D243 PolarHBondContact NE2-OD2 3.3Å; H175-D243 WeakPolarHBondContact CB-OD2 3.48Å; H175-D243 PolarHBondContact N-OD1 3.24Å; H175-D243 PolarHBondContact N-OD2 3.45Å; A176-D243 WeakPolarHBondContact CA-OD1 3.4Å; A176-D243 PolarHBondContact N-OD1 3.1Å; I178-D243 HydrophobicContact CD1-CB 3.76Å; I178-D243 VanDerWaalsContact CD1-O 3.28Å; I178-D243 WeakPolarHBondContact CD1-O 3.18Å; D243-I246 PolarHBondContact O-N 3.07Å; D243-L247 WeakPolarHBondContact O-CB 3.35Å; D243-L247 PolarHBondContact O-N 3.39Å
244	L	98.9	Very high	97.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-69	-33.9	176.9	-64.5	175.1	0	0	0	113	L162 L165 R240 S242 G248 F302 V306 L309 P315 Y317 L320	L162-L244 HydrophobicContact CD2-CD2 3.6Å; L165-L244 HydrophobicContact CD1-CD2 3.95Å; R240-L244 PolarHBondContact O-N 3.44Å; S242-L244 VanDerWaalsContact C-N 3.34Å; S242-L244 PolarHBondContact O-N 3.02Å; L244-G248 PolarHBondContact O-N 3.33Å; L244-F302 HydrophobicContact CD2-CZ 4.42Å; L244-V306 HydrophobicContact CB-CG1 4.03Å; L244-V306 HydrophobicContact CB-CG2 3.7Å; L244-V306 HydrophobicContact CD1-CG2 4.42Å; L244-L309 HydrophobicContact CD1-CD1 3.99Å; L244-P315 HydrophobicContact CD1-CB 3.36Å; L244-P315 HydrophobicContact CD1-CG 3.48Å; L244-P315 VanDerWaalsContact CD1-CG 3.48Å; L244-Y317 HydrophobicContact CD1-CE1 4.5Å; L244-L320 HydrophobicContact CD1-CD1 3.75Å; L244-L320 HydrophobicContact CD2-CD1 4.13Å
245	Q	98.8	Very high	98.1	Very high	18 Å²	18	9 Å²	9	8%	0.084	5%	0.046	C	C	.	.	H	α-helix	trans	-66.6	-44	172.4	171.8	166.2	79.7	0	0	111.6	R241 S242 L247 G248 F249 V306	R241-Q245 WeakPolarHBondContact O-CB 3.14Å; R241-Q245 PolarHBondContact O-N 2.92Å; S242-Q245 PolarHBondContact O-N 3.3Å; Q245-L247 VanDerWaalsContact C-N 3.34Å; Q245-L247 PolarHBondContact O-N 3.17Å; Q245-G248 PolarHBondContact O-N 3.17Å; Q245-F249 HydrophobicContact CG-CD2 3.99Å; Q245-F249 HydrophobicContact CG-CE2 3.36Å; Q245-F249 HydrophobicContact CG-CZ 3.77Å; Q245-F249 WeakPolarHBondContact O-CD2 3.24Å; Q245-F249 PolarHBondContact O-N 2.76Å; Q245-V306 HydrophobicContact CB-CG1 4.17Å
246	I	98.9	Very high	98.1	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-60	-45.4	175.2	-64.7	161	0	0	0	110	A176 I178 F227 S242 D243 G248 F249 C250	A176-I246 WeakPolarHBondContact O-CD1 3.38Å; I178-I246 HydrophobicContact CB-CG2 3.79Å; I178-I246 HydrophobicContact CD1-CB 4.44Å; I178-I246 HydrophobicContact CD1-CG2 4.42Å; I178-I246 WeakPolarHBondContact O-CG2 3.45Å; F227-I246 HydrophobicContact CB-CG2 3.94Å; F227-I246 WeakPolarHBondContact O-CG1 3.49Å; S242-I246 WeakPolarHBondContact O-CD1 3.26Å; S242-I246 WeakPolarHBondContact O-CG1 3.42Å; S242-I246 PolarHBondContact O-N 2.94Å; D243-I246 PolarHBondContact O-N 3.07Å; I246-G248 VanDerWaalsContact C-N 3.35Å; I246-G248 PolarHBondContact O-N 2.76Å; I246-F249 PolarHBondContact O-N 3.26Å; I246-C250 PolarHBondContact O-N 2.85Å; I246-C250 PolarHBondContact O-SG 2.94Å
247	L	98.9	Very high	98.2	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.2	-41.6	175.1	178.3	58.2	0	0	0	112.1	L161 L162 L165 D243 Q245 C250 M251 F302	L161-L247 HydrophobicContact CB-CD1 4.04Å; L161-L247 HydrophobicContact CB-CD2 4.13Å; L161-L247 HydrophobicContact CD1-CD1 3.56Å; L161-L247 HydrophobicContact CG-CD1 4.45Å; L162-L247 HydrophobicContact CD2-CD2 4.36Å; L162-L247 HydrophobicContact CG-CD2 4.37Å; L165-L247 HydrophobicContact CD1-CB 4.5Å; L165-L247 HydrophobicContact CD1-CD2 3.9Å; D243-L247 WeakPolarHBondContact O-CB 3.35Å; D243-L247 PolarHBondContact O-N 3.39Å; Q245-L247 VanDerWaalsContact C-N 3.34Å; Q245-L247 PolarHBondContact O-N 3.17Å; L247-C250 PolarHBondContact O-N 3.38Å; L247-M251 HydrophobicContact CD1-CG 4.15Å; L247-M251 HydrophobicContact CD1-SD 4.49Å; L247-M251 HydrophobicContact CG-CE 4.17Å; L247-M251 WeakPolarHBondContact O-CG 3.28Å; L247-M251 PolarHBondContact O-N 2.86Å; L247-F302 HydrophobicContact CD2-CZ 4.17Å; L247-F302 HydrophobicContact CG-CZ 4.4Å
248	G	98.8	Very high	98.2	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.01	7%	0.067	C	C	.	.	H	α-helix	trans	-58.3	-48.3	174.5	0	0	0	0	0	112.7	L244 Q245 I246 C250 M251 V252	L244-G248 PolarHBondContact O-N 3.33Å; Q245-G248 PolarHBondContact O-N 3.17Å; I246-G248 VanDerWaalsContact C-N 3.35Å; I246-G248 PolarHBondContact O-N 2.76Å; G248-C250 PolarHBondContact O-N 3.24Å; G248-M251 PolarHBondContact O-N 3.32Å; G248-V252 WeakPolarHBondContact O-CG2 3.4Å; G248-V252 PolarHBondContact O-N 3.36Å; G248-V252 VanDerWaalsContact O-N 3.08Å
249	F	98.8	Very high	98.3	Very high	1 Å²	1	13.2 Å²	13.2	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-64.2	-38.7	176	-61.7	-41	0	0	0	112.6	F227 Q245 I246 V252 Q253 L259 W261 K275 F285 M303	F227-F249 WeakPolarHBondContact O-CD2 3.38Å; Q245-F249 HydrophobicContact CG-CD2 3.99Å; Q245-F249 HydrophobicContact CG-CE2 3.36Å; Q245-F249 HydrophobicContact CG-CZ 3.77Å; Q245-F249 WeakPolarHBondContact O-CD2 3.24Å; Q245-F249 PolarHBondContact O-N 2.76Å; I246-F249 PolarHBondContact O-N 3.26Å; F249-V252 PolarHBondContact O-N 3.37Å; F249-Q253 PolarHBondContact O-N 3.17Å; F249-L259 HydrophobicContact CB-CD1 4.22Å; F249-L259 HydrophobicContact CB-CD2 4.44Å; F249-W261 AromaticContact CD1-CH2 3.77Å; F249-W261 HydrophobicContact CD1-CH2 3.77Å; F249-W261 AromaticContact CD1-CZ2 3.98Å; F249-W261 HydrophobicContact CD1-CZ2 3.98Å; F249-W261 AromaticContact CE1-CH2 3.68Å; F249-W261 HydrophobicContact CE1-CH2 3.68Å; F249-W261 HydrophobicContact CE1-CZ2 4.17Å; F249-W261 HydrophobicContact CG-CH2 4.43Å; F249-W261 HydrophobicContact CG-CZ2 4.18Å; F249-W261 HydrophobicContact CZ-CH2 4.25Å; F249-K275 HydrophobicContact CE2-CD 3.92Å; F249-K275 HydrophobicContact CE2-CG 4.07Å; F249-K275 HydrophobicContact CZ-CB 4.12Å; F249-K275 HydrophobicContact CZ-CD 4.26Å; F249-K275 HydrophobicContact CZ-CG 3.89Å; F249-F285 HydrophobicContact CD1-CZ 4.31Å; F249-M303 HydrophobicContact CD1-CE 4Å; F249-M303 HydrophobicContact CE1-CE 3.82Å
250	C	98.9	Very high	98.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.1	-49.3	174.1	-70.3	0	0	0	0	111.9	I178 I246 L247 G248 V252 Q253 W254	I178-C250 PolarHBondContact O-SG 2.93Å; I246-C250 PolarHBondContact O-N 2.85Å; I246-C250 PolarHBondContact O-SG 2.94Å; L247-C250 PolarHBondContact O-N 3.38Å; G248-C250 PolarHBondContact O-N 3.24Å; C250-V252 VanDerWaalsContact C-N 3.31Å; C250-V252 PolarHBondContact O-N 3.3Å; C250-Q253 PolarHBondContact O-N 2.98Å; C250-W254 HydrophobicContact CB-CD2 4.37Å; C250-W254 HydrophobicContact CB-CH2 3.81Å; C250-W254 HydrophobicContact CB-CZ2 3.62Å; C250-W254 HydrophobicContact CB-CZ3 4.26Å; C250-W254 WeakPolarHBondContact O-CB 3.48Å; C250-W254 VanDerWaalsContact O-CD2 3.25Å; C250-W254 PolarHBondContact O-N 2.99Å
251	M	98.9	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.7	-39.1	178.8	-71.1	-171	-63.1	0	0	112.3	V154 L247 G248 W254 L255 L299 F302 L324	V154-M251 HydrophobicContact CG1-CB 3.81Å; V154-M251 HydrophobicContact CG1-CG 3.91Å; L247-M251 HydrophobicContact CD1-CG 4.15Å; L247-M251 HydrophobicContact CD1-SD 4.49Å; L247-M251 HydrophobicContact CG-CE 4.17Å; L247-M251 WeakPolarHBondContact O-CG 3.28Å; L247-M251 PolarHBondContact O-N 2.86Å; G248-M251 PolarHBondContact O-N 3.32Å; M251-W254 HydrophobicContact CG-CE3 4.32Å; M251-W254 HydrophobicContact CG-CZ3 4.25Å; M251-L255 WeakPolarHBondContact O-CG 3.17Å; M251-L255 PolarHBondContact O-N 3.48Å; M251-L299 HydrophobicContact CB-CD1 4.19Å; M251-L299 HydrophobicContact CB-CD2 4.01Å; M251-L299 HydrophobicContact CE-CD2 3.85Å; M251-L299 HydrophobicContact SD-CD2 4.07Å; M251-F302 HydrophobicContact CE-CD1 3.7Å; M251-F302 HydrophobicContact CE-CD2 4.14Å; M251-F302 HydrophobicContact CE-CE1 3.58Å; M251-F302 HydrophobicContact CE-CE2 4.02Å; M251-F302 HydrophobicContact CE-CG 4Å; M251-F302 HydrophobicContact CE-CZ 3.75Å; M251-L324 HydrophobicContact CE-CD2 4.42Å; M251-L324 HydrophobicContact SD-CD1 4.22Å; M251-L324 HydrophobicContact SD-CD2 4.3Å
252	V	98.8	Very high	98.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62	-54	173.2	171	0	0	0	0	110.5	G248 F249 C250 W254 L255 C256 L259 F285 L286 C289 F290 L299 M303	G248-V252 WeakPolarHBondContact O-CG2 3.4Å; G248-V252 PolarHBondContact O-N 3.36Å; G248-V252 VanDerWaalsContact O-N 3.08Å; F249-V252 PolarHBondContact O-N 3.37Å; C250-V252 VanDerWaalsContact C-N 3.31Å; C250-V252 PolarHBondContact O-N 3.3Å; V252-W254 VanDerWaalsContact C-N 3.26Å; V252-W254 PolarHBondContact O-N 3.39Å; V252-L255 PolarHBondContact O-N 2.78Å; V252-C256 PolarHBondContact O-N 3.02Å; V252-C256 PolarHBondContact O-SG 2.94Å; V252-L259 HydrophobicContact CB-CD2 4.31Å; V252-L259 HydrophobicContact CG1-CD2 4Å; V252-F285 HydrophobicContact CB-CZ 4.4Å; V252-F285 HydrophobicContact CG1-CE1 4.25Å; V252-F285 HydrophobicContact CG1-CZ 3.9Å; V252-F285 HydrophobicContact CG2-CE1 4.02Å; V252-F285 HydrophobicContact CG2-CZ 4.36Å; V252-L286 HydrophobicContact CG2-CD2 3.91Å; V252-C289 HydrophobicContact CG1-CB 4.04Å; V252-F290 HydrophobicContact CG1-CE2 4.04Å; V252-F290 HydrophobicContact CG1-CZ 4.17Å; V252-L299 HydrophobicContact CG2-CD1 3.78Å; V252-M303 HydrophobicContact CG2-SD 4.17Å
253	Q	98.6	Very high	98.1	Very high	15 Å²	15	19.8 Å²	19.8	7%	0.07	10%	0.102	C	C	.	.	H	α-helix	trans	-55.4	-42	179.8	-165.8	-160.1	52.3	0	0	111.9	F227 F249 C250 L255 G257 L259 E262	F227-Q253 HydrophobicContact CE1-CB 4.3Å; F227-Q253 VanDerWaalsContact CE1-CD 3.5Å; F227-Q253 HydrophobicContact CE1-CG 4.42Å; F227-Q253 VanDerWaalsContact CZ-OE1 3.23Å; F249-Q253 PolarHBondContact O-N 3.17Å; C250-Q253 PolarHBondContact O-N 2.98Å; Q253-L255 VanDerWaalsContact C-N 3.27Å; Q253-L255 PolarHBondContact O-N 2.81Å; Q253-G257 WeakPolarHBondContact O-CA 3.33Å; Q253-G257 PolarHBondContact O-N 3.01Å; Q253-L259 HydrophobicContact CB-CD1 4.26Å; Q253-L259 HydrophobicContact CB-CD2 4.48Å; Q253-L259 HydrophobicContact CB-CG 4.01Å; Q253-L259 HydrophobicContact CG-CG 4.31Å; Q253-E262 PolarHBondContact NE2-OE1 3.15Å
254	W	98.6	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-30.1	-179.4	-64	-21.3	0	0	0	113.3	K148 F149 V154 L157 L161 A180 L183 C250 M251 V252	K148-W254 CarbonylContact C-O 3.57Å; F149-W254 HydrophobicContact CB-CB 4.47Å; F149-W254 HydrophobicContact CD2-CB 3.91Å; F149-W254 HydrophobicContact CD2-CD2 4.43Å; F149-W254 AromaticContact CD2-CG 3.94Å; F149-W254 HydrophobicContact CD2-CG 3.94Å; F149-W254 HydrophobicContact CE2-CG 4.37Å; F149-W254 PolarHBondContact N-O 3.39Å; V154-W254 HydrophobicContact CG1-CE3 4.29Å; V154-W254 HydrophobicContact CG2-CB 3.67Å; L157-W254 HydrophobicContact CB-CZ3 4.32Å; L157-W254 HydrophobicContact CD1-CE3 4.43Å; L157-W254 HydrophobicContact CD1-CZ3 4.43Å; L161-W254 HydrophobicContact CD1-CH2 3.86Å; L161-W254 HydrophobicContact CD1-CZ3 4.12Å; A180-W254 HydrophobicContact CB-CZ2 4.48Å; L183-W254 HydrophobicContact CD1-CH2 3.58Å; L183-W254 HydrophobicContact CD1-CZ2 3.83Å; C250-W254 HydrophobicContact CB-CD2 4.37Å; C250-W254 HydrophobicContact CB-CH2 3.81Å; C250-W254 HydrophobicContact CB-CZ2 3.62Å; C250-W254 HydrophobicContact CB-CZ3 4.26Å; C250-W254 WeakPolarHBondContact O-CB 3.48Å; C250-W254 VanDerWaalsContact O-CD2 3.25Å; C250-W254 PolarHBondContact O-N 2.99Å; M251-W254 HydrophobicContact CG-CE3 4.32Å; M251-W254 HydrophobicContact CG-CZ3 4.25Å; V252-W254 VanDerWaalsContact C-N 3.26Å; V252-W254 PolarHBondContact O-N 3.39Å
255	L	97.9	Very high	97.9	Very high	20 Å²	20	28.1 Å²	28.1	11%	0.105	14%	0.136	C	C	.	.	H	α-helix	trans	-86.1	-48.4	176.2	-63.1	174.2	0	0	0	112.9	K148 R151 V154 M251 V252 Q253 F290 P296 L299	K148-L255 PolarHBondContact NZ-O 2.76Å; R151-L255 HydrophobicContact CB-CD2 4.04Å; R151-L255 HydrophobicContact CG-CD2 4.23Å; V154-L255 HydrophobicContact CB-CD2 3.77Å; V154-L255 HydrophobicContact CB-CG 4.18Å; V154-L255 HydrophobicContact CG1-CD1 4.44Å; V154-L255 HydrophobicContact CG1-CD2 4.2Å; V154-L255 HydrophobicContact CG1-CG 4.06Å; V154-L255 HydrophobicContact CG2-CD2 3.56Å; V154-L255 HydrophobicContact CG2-CG 3.98Å; M251-L255 WeakPolarHBondContact O-CG 3.17Å; M251-L255 PolarHBondContact O-N 3.48Å; V252-L255 PolarHBondContact O-N 2.78Å; Q253-L255 VanDerWaalsContact C-N 3.27Å; Q253-L255 PolarHBondContact O-N 2.81Å; L255-F290 HydrophobicContact CB-CE1 3.51Å; L255-F290 HydrophobicContact CB-CZ 3.74Å; L255-F290 HydrophobicContact CD1-CE1 4.38Å; L255-F290 HydrophobicContact CD1-CZ 4.2Å; L255-P296 HydrophobicContact CD1-CB 4.35Å; L255-P296 HydrophobicContact CD1-CG 4.03Å; L255-L299 HydrophobicContact CD1-CD1 3.58Å; L255-L299 HydrophobicContact CD1-CG 4.4Å
256	C	96.6	Very high	97.8	Very high	12 Å²	12	35.1 Å²	35.1	8%	0.081	17%	0.168	C	C	.	.	H	α-helix	trans	-83.9	-22.2	-174.9	63.1	0	0	0	0	113.3	K148 V252 R258 C289 F290	K148-C256 WeakPolarHBondContact CE-O 3.2Å; K148-C256 VanDerWaalsContact NZ-C 3.34Å; K148-C256 PolarHBondContact NZ-O 2.77Å; V252-C256 PolarHBondContact O-N 3.02Å; V252-C256 PolarHBondContact O-SG 2.94Å; C256-R258 PolarHBondContact SG-O 2.91Å; C256-C289 HydrophobicContact CB-CB 4.11Å; C256-C289 WeakPolarHBondContact CB-O 3.47Å; C256-F290 HydrophobicContact CB-CD1 4.22Å; C256-F290 HydrophobicContact CB-CE1 3.64Å; C256-F290 HydrophobicContact CB-CZ 3.85Å
257	G	96.6	Very high	97.7	Very high	17 Å²	17	38.4 Å²	38.4	18%	0.175	19%	0.186	C	C	.	.	S	Bend	trans	89.5	-8.2	-179.7	0	0	0	0	0	115.6	K147 Q253	K147-G257 WeakPolarHBondContact O-CA 3.47Å; Q253-G257 WeakPolarHBondContact O-CA 3.33Å; Q253-G257 PolarHBondContact O-N 3.01Å
258	R	96	Very high	97.5	Very high	113 Å²	113	39.9 Å²	39.9	43%	0.426	20%	0.196	S	C	.	.	S	Bend	trans	-164.4	142	178.2	52.7	166.5	-69.8	162.6	3.7	112.8	C256 E262 D263	C256-R258 PolarHBondContact SG-O 2.91Å; R258-E262 WeakPolarHBondContact CB-OE2 3.38Å; R258-D263 IonicContact CZ-OD2 3.81Å; R258-D263 IonicContact NH1-OD1 2.75Å; R258-D263 IonicContact NH1-OD2 3.94Å; R258-D263 PolarHBondContact NH1-OD2 2.77Å; R258-D263 VanDerWaalsContact NH1-OD2 3.15Å; R258-D263 IonicContact NH2-OD1 3.03Å; R258-D263 IonicContact NH2-OD2 2.7Å; R258-D263 PolarHBondContact NH2-OD2 3.41Å
259	L	98.1	Very high	97.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.			trans	-82.3	154.9	168.2	-66.4	161.8	0	0	0	111.3	F227 F249 V252 Q253 W261 E262 F285	F227-L259 HydrophobicContact CD1-CD1 3.93Å; F227-L259 HydrophobicContact CE1-CD1 3.96Å; F249-L259 HydrophobicContact CB-CD1 4.22Å; F249-L259 HydrophobicContact CB-CD2 4.44Å; V252-L259 HydrophobicContact CB-CD2 4.31Å; V252-L259 HydrophobicContact CG1-CD2 4Å; Q253-L259 HydrophobicContact CB-CD1 4.26Å; Q253-L259 HydrophobicContact CB-CD2 4.48Å; Q253-L259 HydrophobicContact CB-CG 4.01Å; Q253-L259 HydrophobicContact CG-CG 4.31Å; L259-W261 HydrophobicContact CB-CD2 4.26Å; L259-W261 HydrophobicContact CB-CZ2 4.02Å; L259-W261 HydrophobicContact CD1-CZ2 3.85Å; L259-W261 HydrophobicContact CD2-CH2 4.19Å; L259-W261 HydrophobicContact CD2-CZ2 3.94Å; L259-W261 HydrophobicContact CG-CZ2 4.15Å; L259-W261 PolarHBondContact O-N 3.05Å; L259-W261 VanDerWaalsContact O-N 3.13Å; L259-E262 HydrophobicContact CB-CG 4.12Å; L259-E262 VanDerWaalsContact N-CD 3.26Å; L259-E262 PolarHBondContact N-OE1 3.47Å; L259-E262 PolarHBondContact O-N 2.95Å; L259-F285 HydrophobicContact CD2-CE2 4.42Å; L259-F285 HydrophobicContact CD2-CZ 4.07Å
260	P	97.8	Very high	97.4	Very high	39 Å²	39	46.8 Å²	46.8	25%	0.253	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-22	-176.7	-25.9	36.2	0	0	0	115.2	F285	P260-F285 HydrophobicContact CG-CD2 4.04Å; P260-F285 HydrophobicContact CG-CE2 3.86Å
261	W	98.2	Very high	97.3	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-0.4	-175.6	49.5	77.9	0	0	0	115.1	E226 F249 L259 D263 R264 Y270 V271 K275 F285	E226-W261 PolarHBondContact O-NE1 3.37Å; F249-W261 AromaticContact CD1-CH2 3.77Å; F249-W261 HydrophobicContact CD1-CH2 3.77Å; F249-W261 AromaticContact CD1-CZ2 3.98Å; F249-W261 HydrophobicContact CD1-CZ2 3.98Å; F249-W261 AromaticContact CE1-CH2 3.68Å; F249-W261 HydrophobicContact CE1-CH2 3.68Å; F249-W261 HydrophobicContact CE1-CZ2 4.17Å; F249-W261 HydrophobicContact CG-CH2 4.43Å; F249-W261 HydrophobicContact CG-CZ2 4.18Å; F249-W261 HydrophobicContact CZ-CH2 4.25Å; L259-W261 HydrophobicContact CB-CD2 4.26Å; L259-W261 HydrophobicContact CB-CZ2 4.02Å; L259-W261 HydrophobicContact CD1-CZ2 3.85Å; L259-W261 HydrophobicContact CD2-CH2 4.19Å; L259-W261 HydrophobicContact CD2-CZ2 3.94Å; L259-W261 HydrophobicContact CG-CZ2 4.15Å; L259-W261 PolarHBondContact O-N 3.05Å; L259-W261 VanDerWaalsContact O-N 3.13Å; W261-D263 PolarHBondContact O-N 2.91Å; W261-R264 PolarHBondContact O-N 2.82Å; W261-Y270 HydrophobicContact CB-CE1 4.17Å; W261-V271 HydrophobicContact CB-CG2 4.33Å; W261-V271 HydrophobicContact CG-CG1 4.14Å; W261-K275 HydrophobicContact CD2-CG 4.27Å; W261-K275 HydrophobicContact CE3-CG 4.32Å; W261-K275 HydrophobicContact CH2-CG 3.75Å; W261-K275 HydrophobicContact CZ2-CD 4.27Å; W261-K275 VanDerWaalsContact CZ2-CE 3.5Å; W261-K275 HydrophobicContact CZ2-CG 3.68Å; W261-K275 HydrophobicContact CZ3-CG 4.08Å; W261-F285 AromaticContact CH2-CE2 3.75Å; W261-F285 HydrophobicContact CH2-CE2 3.75Å; W261-F285 HydrophobicContact CH2-CZ 4.1Å; W261-F285 HydrophobicContact CZ3-CD2 4.24Å; W261-F285 AromaticContact CZ3-CE2 3.67Å; W261-F285 HydrophobicContact CZ3-CE2 3.67Å; W261-F285 HydrophobicContact CZ3-CZ 4.46Å
262	E	96.8	Very high	97.3	Very high	53 Å²	53	50.2 Å²	50.2	25%	0.248	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-61.8	-26.6	-175.6	-76.8	176.4	-159.1	0	0	114.5	Q253 R258 L259 R264 L265	Q253-E262 PolarHBondContact NE2-OE1 3.15Å; R258-E262 WeakPolarHBondContact CB-OE2 3.38Å; L259-E262 HydrophobicContact CB-CG 4.12Å; L259-E262 VanDerWaalsContact N-CD 3.26Å; L259-E262 PolarHBondContact N-OE1 3.47Å; L259-E262 PolarHBondContact O-N 2.95Å; E262-R264 PolarHBondContact O-N 2.89Å; E262-L265 WeakPolarHBondContact O-CG 3.26Å
263	D	96.2	Very high	97.3	Very high	124 Å²	124	52.6 Å²	52.6	66%	0.663	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-71.9	-9.5	177.5	-59.4	-44	0	0	0	112.9	R258 W261	R258-D263 IonicContact CZ-OD2 3.81Å; R258-D263 IonicContact NH1-OD1 2.75Å; R258-D263 IonicContact NH1-OD2 3.94Å; R258-D263 PolarHBondContact NH1-OD2 2.77Å; R258-D263 VanDerWaalsContact NH1-OD2 3.15Å; R258-D263 IonicContact NH2-OD1 3.03Å; R258-D263 IonicContact NH2-OD2 2.7Å; R258-D263 PolarHBondContact NH2-OD2 3.41Å; W261-D263 PolarHBondContact O-N 2.91Å
264	R	96.8	Very high	97.3	Very high	135 Å²	135	52.3 Å²	52.3	51%	0.509	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-135.9	35.5	-176	-63.2	-148.6	-67.5	-143	11	114.4	W261 E262 Q266 D267 Y270	W261-R264 PolarHBondContact O-N 2.82Å; E262-R264 PolarHBondContact O-N 2.89Å; R264-Q266 PolarHBondContact O-N 3Å; R264-D267 PolarHBondContact O-N 3.35Å; R264-Y270 HydrophobicContact CB-CD1 3.46Å; R264-Y270 VanDerWaalsContact CB-CD1 3.46Å; R264-Y270 HydrophobicContact CB-CE1 3.67Å; R264-Y270 HydrophobicContact CG-CD1 4.24Å; R264-Y270 HydrophobicContact CG-CE1 4.16Å
265	L	96.4	Very high	97.3	Very high	40 Å²	40	52.3 Å²	52.3	21%	0.209	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.4	177	-60.3	-178.5	0	0	0	114.8	I225 E226 E262 D267 V271	I225-L265 WeakPolarHBondContact CD1-O 3.4Å; I225-L265 HydrophobicContact CG2-CB 4.04Å; I225-L265 HydrophobicContact CG2-CD1 4.42Å; I225-L265 HydrophobicContact CG2-CD2 4.31Å; I225-L265 HydrophobicContact CG2-CG 4.46Å; E226-L265 HydrophobicContact CB-CD1 4.02Å; E226-L265 HydrophobicContact CB-CD2 3.72Å; E262-L265 WeakPolarHBondContact O-CG 3.26Å; L265-D267 PolarHBondContact O-N 3.42Å; L265-V271 HydrophobicContact CD2-CG2 4.04Å
266	Q	96.4	Very high	97.3	Very high	164 Å²	164	53.4 Å²	53.4	77%	0.766	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-5.2	174.9	-55.6	-57.8	-31.3	0	0	113.8	R264 P268	R264-Q266 PolarHBondContact O-N 3Å; Q266-P268 WeakPolarHBondContact O-CD 3.49Å
267	D	97.3	Very high	97.4	Very high	71 Å²	71	58.6 Å²	58.6	38%	0.38	28%	0.277	S	S	.	.			trans	-115.6	93	172.8	-178.3	-10.8	0	0	0	110.1	R264 L265 L269 Y270 V271	R264-D267 PolarHBondContact O-N 3.35Å; L265-D267 PolarHBondContact O-N 3.42Å; D267-L269 PolarHBondContact O-N 3.32Å; D267-L269 PolarHBondContact OD1-N 3.46Å; D267-Y270 VanDerWaalsContact CG-CB 3.45Å; D267-Y270 PolarHBondContact O-N 2.73Å; D267-Y270 PolarHBondContact OD1-N 2.8Å; D267-Y270 WeakPolarHBondContact OD2-CB 3.35Å; D267-V271 WeakPolarHBondContact O-CG2 3.31Å; D267-V271 PolarHBondContact O-N 3.48Å
268	P	95.8	Very high	97.4	Very high	32 Å²	32	58.3 Å²	58.3	21%	0.208	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-24.8	-178.7	-21.7	32.7	0	0	0	114.1	H221 I225 H233 Q266 R272	H221-P268 HydrophobicContact CB-CB 4.41Å; H221-P268 VanDerWaalsContact CE1-CB 3.48Å; H221-P268 WeakPolarHBondContact CE1-CB 3.15Å; H221-P268 WeakPolarHBondContact ND1-CB 3.34Å; I225-P268 HydrophobicContact CD1-CB 3.84Å; I225-P268 HydrophobicContact CD1-CG 3.76Å; H233-P268 PolarHBondContact CE1-O 2.9Å; H233-P268 PolarHBondContact ND1-O 3.41Å; Q266-P268 WeakPolarHBondContact O-CD 3.49Å; P268-R272 WeakPolarHBondContact O-CB 3.47Å; P268-R272 PolarHBondContact O-N 3.07Å
269	L	95.9	Very high	97.5	Very high	89 Å²	89	55.5 Å²	55.5	47%	0.466	26%	0.264	S	S	.	.	H	α-helix	trans	-74.9	-44.7	177.1	-62.2	178.8	0	0	0	110.2	D267 V271 R272 D273	D267-L269 PolarHBondContact O-N 3.32Å; D267-L269 PolarHBondContact OD1-N 3.46Å; L269-V271 VanDerWaalsContact C-N 3.32Å; L269-V271 PolarHBondContact O-N 2.93Å; L269-R272 PolarHBondContact O-N 2.94Å; L269-D273 WeakPolarHBondContact O-CB 3.42Å; L269-D273 PolarHBondContact O-N 3.41Å
270	Y	98.1	Very high	97.4	Very high	58 Å²	58	61.7 Å²	61.7	23%	0.227	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-40.8	173.3	172.1	-105.6	0	0	0	112.6	W261 R264 D267 S274	W261-Y270 HydrophobicContact CB-CE1 4.17Å; R264-Y270 HydrophobicContact CB-CD1 3.46Å; R264-Y270 VanDerWaalsContact CB-CD1 3.46Å; R264-Y270 HydrophobicContact CB-CE1 3.67Å; R264-Y270 HydrophobicContact CG-CD1 4.24Å; R264-Y270 HydrophobicContact CG-CE1 4.16Å; D267-Y270 VanDerWaalsContact CG-CB 3.45Å; D267-Y270 PolarHBondContact O-N 2.73Å; D267-Y270 PolarHBondContact OD1-N 2.8Å; D267-Y270 WeakPolarHBondContact OD2-CB 3.35Å; Y270-S274 WeakPolarHBondContact CE2-OG 3.43Å; Y270-S274 VanDerWaalsContact O-CB 3.28Å; Y270-S274 WeakPolarHBondContact O-CB 3.24Å; Y270-S274 PolarHBondContact O-N 2.82Å; Y270-S274 PolarHBondContact O-OG 2.84Å
271	V	98.4	Very high	97.4	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-49.4	176	176.1	0	0	0	0	110.6	I225 H233 W261 L265 D267 L269 D273 S274 K275	I225-V271 HydrophobicContact CG1-CB 4.45Å; I225-V271 HydrophobicContact CG1-CG1 4.23Å; I225-V271 HydrophobicContact CG1-CG2 4.32Å; I225-V271 WeakPolarHBondContact O-CG1 3.27Å; H233-V271 VanDerWaalsContact CE1-CB 3.4Å; H233-V271 WeakPolarHBondContact CE1-CB 3.33Å; H233-V271 WeakPolarHBondContact CE1-CG1 3.44Å; H233-V271 WeakPolarHBondContact NE2-CG1 3.39Å; W261-V271 HydrophobicContact CB-CG2 4.33Å; W261-V271 HydrophobicContact CG-CG1 4.14Å; L265-V271 HydrophobicContact CD2-CG2 4.04Å; D267-V271 WeakPolarHBondContact O-CG2 3.31Å; D267-V271 PolarHBondContact O-N 3.48Å; L269-V271 VanDerWaalsContact C-N 3.32Å; L269-V271 PolarHBondContact O-N 2.93Å; V271-D273 PolarHBondContact O-N 2.83Å; V271-S274 PolarHBondContact O-N 3.46Å; V271-K275 HydrophobicContact CG1-CD 4.16Å; V271-K275 WeakPolarHBondContact O-CG 3.37Å; V271-K275 PolarHBondContact O-N 3.07Å
272	R	97.8	Very high	97.4	Very high	71 Å²	71	63.9 Å²	63.9	27%	0.268	30%	0.302	S	S	.	.	H	α-helix	trans	-53.5	-53.2	174.8	179.1	-165.9	71.4	-175.2	-0.8	111.5	H233 P268 L269 S274 K275 I276	H233-R272 HydrophobicContact CB-CB 3.87Å; H233-R272 HydrophobicContact CB-CG 3.69Å; P268-R272 WeakPolarHBondContact O-CB 3.47Å; P268-R272 PolarHBondContact O-N 3.07Å; L269-R272 PolarHBondContact O-N 2.94Å; R272-S274 PolarHBondContact O-N 3.12Å; R272-K275 WeakPolarHBondContact O-CB 3.45Å; R272-K275 PolarHBondContact O-N 3.16Å; R272-K275 VanDerWaalsContact O-N 3.11Å; R272-I276 HydrophobicContact CG-CD1 3.9Å; R272-I276 WeakPolarHBondContact O-CG1 3.46Å; R272-I276 PolarHBondContact O-N 3.28Å
273	D	98.3	Very high	97.5	Very high	50 Å²	50	63.6 Å²	63.6	27%	0.267	31%	0.306	S	S	.	.	H	α-helix	trans	-68.1	-29	-173.7	-63.3	-7.7	0	0	0	111.5	L269 V271 R277	L269-D273 WeakPolarHBondContact O-CB 3.42Å; L269-D273 PolarHBondContact O-N 3.41Å; V271-D273 PolarHBondContact O-N 2.83Å; D273-R277 WeakPolarHBondContact O-CG 3.47Å; D273-R277 PolarHBondContact O-N 3.21Å; D273-R277 VanDerWaalsContact O-N 3.1Å; D273-R277 PolarHBondContact O-NE 3.01Å; D273-R277 PolarHBondContact O-NH1 2.58Å; D273-R277 PolarHBondContact O-NH2 2.97Å
274	S	98.4	Very high	97.5	Very high	9 Å²	9	60.5 Å²	60.5	6%	0.063	29%	0.29	C	S	.	.	H	α-helix	trans	-72.3	-37.4	172.9	-57.6	0	0	0	0	112	Y270 V271 R272 R277 S278	Y270-S274 WeakPolarHBondContact CE2-OG 3.43Å; Y270-S274 VanDerWaalsContact O-CB 3.28Å; Y270-S274 WeakPolarHBondContact O-CB 3.24Å; Y270-S274 PolarHBondContact O-N 2.82Å; Y270-S274 PolarHBondContact O-OG 2.84Å; V271-S274 PolarHBondContact O-N 3.46Å; R272-S274 PolarHBondContact O-N 3.12Å; S274-R277 PolarHBondContact OG-NH2 3.47Å; S274-S278 VanDerWaalsContact O-CB 3.29Å; S274-S278 WeakPolarHBondContact O-CB 3.47Å; S274-S278 PolarHBondContact O-N 3.28Å; S274-S278 PolarHBondContact O-OG 3.05Å
275	K	98.6	Very high	97.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.2	-41.3	171.8	-72.3	173.4	174	-175.2	0	112	I225 E226 F227 T228 I230 H233 F249 W261 V271 R272 S278 Q279	I225-K275 PolarHBondContact O-NZ 2.81Å; E226-K275 WeakPolarHBondContact O-CE 3.31Å; E226-K275 PolarHBondContact O-NZ 2.84Å; F227-K275 VanDerWaalsContact C-NZ 3.29Å; T228-K275 PolarHBondContact O-NZ 2.74Å; I230-K275 HydrophobicContact CD1-CB 4.03Å; I230-K275 HydrophobicContact CG1-CB 3.84Å; H233-K275 WeakPolarHBondContact NE2-CD 3.28Å; H233-K275 WeakPolarHBondContact NE2-CE 3.37Å; H233-K275 PolarHBondContact NE2-NZ 2.92Å; F249-K275 HydrophobicContact CE2-CD 3.92Å; F249-K275 HydrophobicContact CE2-CG 4.07Å; F249-K275 HydrophobicContact CZ-CB 4.12Å; F249-K275 HydrophobicContact CZ-CD 4.26Å; F249-K275 HydrophobicContact CZ-CG 3.89Å; W261-K275 HydrophobicContact CD2-CG 4.27Å; W261-K275 HydrophobicContact CE3-CG 4.32Å; W261-K275 HydrophobicContact CH2-CG 3.75Å; W261-K275 HydrophobicContact CZ2-CD 4.27Å; W261-K275 VanDerWaalsContact CZ2-CE 3.5Å; W261-K275 HydrophobicContact CZ2-CG 3.68Å; W261-K275 HydrophobicContact CZ3-CG 4.08Å; V271-K275 HydrophobicContact CG1-CD 4.16Å; V271-K275 WeakPolarHBondContact O-CG 3.37Å; V271-K275 PolarHBondContact O-N 3.07Å; R272-K275 WeakPolarHBondContact O-CB 3.45Å; R272-K275 PolarHBondContact O-N 3.16Å; R272-K275 VanDerWaalsContact O-N 3.11Å; K275-S278 PolarHBondContact O-N 3.44Å; K275-Q279 PolarHBondContact O-N 2.89Å
276	I	98.4	Very high	97.7	Very high	44 Å²	44	52.1 Å²	52.1	23%	0.226	26%	0.255	C	S	.	.	H	α-helix	trans	-57.9	-56.9	174.9	-69	168.7	0	0	0	110.3	I230 R272 S278 Q279 E280	I230-I276 HydrophobicContact CD1-CB 4.45Å; I230-I276 HydrophobicContact CD1-CG1 3.87Å; I230-I276 HydrophobicContact CG1-CG1 4.47Å; I230-I276 HydrophobicContact CG2-CD1 4.34Å; I230-I276 HydrophobicContact CG2-CG1 3.85Å; R272-I276 HydrophobicContact CG-CD1 3.9Å; R272-I276 WeakPolarHBondContact O-CG1 3.46Å; R272-I276 PolarHBondContact O-N 3.28Å; I276-S278 PolarHBondContact O-N 2.96Å; I276-Q279 PolarHBondContact O-N 3.42Å; I276-E280 HydrophobicContact CG2-CG 4.42Å; I276-E280 WeakPolarHBondContact CG2-OE1 3.21Å; I276-E280 WeakPolarHBondContact O-CG 3.16Å; I276-E280 PolarHBondContact O-N 3.28Å
277	R	98.4	Very high	97.7	Very high	121 Å²	121	47.7 Å²	47.7	46%	0.457	24%	0.242	S	C	.	.	H	α-helix	trans	-55.5	-37.6	176.7	-73.1	-178	-67.2	-90.9	-2.3	113	D273 S274 Q279 E280 D281	D273-R277 WeakPolarHBondContact O-CG 3.47Å; D273-R277 PolarHBondContact O-N 3.21Å; D273-R277 VanDerWaalsContact O-N 3.1Å; D273-R277 PolarHBondContact O-NE 3.01Å; D273-R277 PolarHBondContact O-NH1 2.58Å; D273-R277 PolarHBondContact O-NH2 2.97Å; S274-R277 PolarHBondContact OG-NH2 3.47Å; R277-Q279 VanDerWaalsContact C-N 3.32Å; R277-Q279 PolarHBondContact O-N 3.36Å; R277-E280 PolarHBondContact O-N 3.49Å; R277-D281 PolarHBondContact O-N 3.5Å
278	S	98.1	Very high	97.7	Very high	11 Å²	11	50.9 Å²	50.9	8%	0.077	25%	0.253	C	S	.	.	H	α-helix	trans	-72.4	-22.6	179.4	-57.5	0	0	0	0	113.9	S274 K275 I276 D281 I282 F285	S274-S278 VanDerWaalsContact O-CB 3.29Å; S274-S278 WeakPolarHBondContact O-CB 3.47Å; S274-S278 PolarHBondContact O-N 3.28Å; S274-S278 PolarHBondContact O-OG 3.05Å; K275-S278 PolarHBondContact O-N 3.44Å; I276-S278 PolarHBondContact O-N 2.96Å; S278-D281 CarbonylContact O-C 3.53Å; S278-I282 WeakPolarHBondContact O-CA 3.49Å; S278-I282 WeakPolarHBondContact O-CG1 3.32Å; S278-I282 PolarHBondContact O-N 2.91Å; S278-F285 VanDerWaalsContact CB-CD2 3.5Å; S278-F285 VanDerWaalsContact OG-CD2 3.29Å; S278-F285 WeakPolarHBondContact OG-CD2 3.28Å
279	Q	96.4	Very high	97.8	Very high	54 Å²	54	50.3 Å²	50.3	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-87	-31.9	171	-175.9	173	-7.4	0	0	111.2	I230 K275 I276 R277 K307	I230-Q279 HydrophobicContact CD1-CB 4.34Å; K275-Q279 PolarHBondContact O-N 2.89Å; I276-Q279 PolarHBondContact O-N 3.42Å; R277-Q279 VanDerWaalsContact C-N 3.32Å; R277-Q279 PolarHBondContact O-N 3.36Å; Q279-K307 HydrophobicContact CG-CB 4.15Å; Q279-K307 HydrophobicContact CG-CD 4.27Å; Q279-K307 HydrophobicContact CG-CG 3.91Å; Q279-K307 WeakPolarHBondContact O-CD 3.49Å; Q279-K307 WeakPolarHBondContact O-CE 3.26Å; Q279-K307 PolarHBondContact O-NZ 2.98Å
280	E	97.4	Very high	97.8	Very high	129 Å²	129	46.8 Å²	46.8	60%	0.603	23%	0.23	S	C	*	.	H	α-helix	trans	-61.8	-52.8	171.9	-71.8	166.9	167.2	0	0	110.6	I276 R277 K307	I276-E280 HydrophobicContact CG2-CG 4.42Å; I276-E280 WeakPolarHBondContact CG2-OE1 3.21Å; I276-E280 WeakPolarHBondContact O-CG 3.16Å; I276-E280 PolarHBondContact O-N 3.28Å; R277-E280 PolarHBondContact O-N 3.49Å; E280-K307 PolarHBondContact O-NZ 2.98Å
281	D	97.9	Very high	97.6	Very high	78 Å²	78	46.4 Å²	46.4	42%	0.417	24%	0.235	S	C	.	.			trans	-120.7	92.3	172.8	-168.9	-15.4	0	0	0	112	R277 S278 S283 D284 F285	R277-D281 PolarHBondContact O-N 3.5Å; S278-D281 CarbonylContact O-C 3.53Å; D281-S283 VanDerWaalsContact C-N 3.26Å; D281-S283 PolarHBondContact O-N 3.47Å; D281-S283 WeakPolarHBondContact OD1-CA 3.35Å; D281-S283 WeakPolarHBondContact OD1-CB 3.26Å; D281-S283 PolarHBondContact OD1-N 3.32Å; D281-D284 HydrophobicContact CB-CB 4.1Å; D281-D284 VanDerWaalsContact CG-CB 3.46Å; D281-D284 PolarHBondContact OD1-N 3.34Å; D281-D284 WeakPolarHBondContact OD2-CB 3.33Å; D281-F285 WeakPolarHBondContact O-CB 3.18Å; D281-F285 PolarHBondContact O-N 2.63Å; D281-F285 VanDerWaalsContact O-N 3.14Å
282	I	98.3	Very high	97.2	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.041	27%	0.272	C	S	.	.	H	α-helix	trans	-67.6	-28.8	176.1	-64.2	164.6	0	0	0	111	S278 L286 Q300 M303 E304 K307	S278-I282 WeakPolarHBondContact O-CA 3.49Å; S278-I282 WeakPolarHBondContact O-CG1 3.32Å; S278-I282 PolarHBondContact O-N 2.91Å; I282-L286 HydrophobicContact CG2-CD1 3.95Å; I282-L286 HydrophobicContact CG2-CG 4.35Å; I282-L286 WeakPolarHBondContact O-CB 3.45Å; I282-L286 WeakPolarHBondContact O-CG 3.4Å; I282-L286 PolarHBondContact O-N 2.94Å; I282-Q300 HydrophobicContact CG2-CG 4.1Å; I282-M303 HydrophobicContact CD1-CB 3.9Å; I282-M303 HydrophobicContact CG1-CB 4.37Å; I282-M303 HydrophobicContact CG2-CB 3.98Å; I282-E304 HydrophobicContact CD1-CB 4.46Å; I282-E304 HydrophobicContact CD1-CG 3.83Å; I282-K307 HydrophobicContact CD1-CB 4.26Å; I282-K307 HydrophobicContact CD1-CD 3.91Å
283	S	97.4	Very high	96.7	Very high	47 Å²	47	55.9 Å²	55.9	33%	0.329	29%	0.293	S	S	.	.	H	α-helix	trans	-72.4	-44.9	-176.4	-168.1	0	0	0	0	111.2	D281 S287 K295	D281-S283 VanDerWaalsContact C-N 3.26Å; D281-S283 PolarHBondContact O-N 3.47Å; D281-S283 WeakPolarHBondContact OD1-CA 3.35Å; D281-S283 WeakPolarHBondContact OD1-CB 3.26Å; D281-S283 PolarHBondContact OD1-N 3.32Å; S283-S287 WeakPolarHBondContact O-CB 3.28Å; S283-S287 PolarHBondContact O-N 3.13Å; S283-S287 PolarHBondContact O-OG 3.04Å; S283-K295 PolarHBondContact O-NZ 3.11Å; S283-K295 PolarHBondContact OG-NZ 2.68Å
284	D	97.5	Very high	96.2	Very high	59 Å²	59	58.7 Å²	58.7	32%	0.316	30%	0.304	S	S	.	.	H	α-helix	trans	-62.8	-46.6	170.8	164.2	71.1	0	0	0	111.6	D281 L286 S287 K288	D281-D284 HydrophobicContact CB-CB 4.1Å; D281-D284 VanDerWaalsContact CG-CB 3.46Å; D281-D284 PolarHBondContact OD1-N 3.34Å; D281-D284 WeakPolarHBondContact OD2-CB 3.33Å; D284-L286 VanDerWaalsContact C-N 3.34Å; D284-L286 PolarHBondContact O-N 3.47Å; D284-S287 CarbonylContact O-C 3.11Å; D284-S287 PolarHBondContact O-N 3.29Å; D284-K288 PolarHBondContact O-N 2.94Å; D284-K288 WeakPolarHBondContact OD1-CE 3.49Å; D284-K288 IonicContact OD1-NZ 2.81Å; D284-K288 PolarHBondContact OD1-NZ 3.06Å; D284-K288 WeakPolarHBondContact OD2-CE 3.38Å; D284-K288 IonicContact OD2-NZ 3.15Å; D284-K288 PolarHBondContact OD2-NZ 3.17Å
285	F	98.4	Very high	96	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-53.8	-48.4	176	166.9	-115.7	0	0	0	112.6	F249 V252 L259 P260 W261 S278 D281 S287 K288 C289 M303	F249-F285 HydrophobicContact CD1-CZ 4.31Å; V252-F285 HydrophobicContact CB-CZ 4.4Å; V252-F285 HydrophobicContact CG1-CE1 4.25Å; V252-F285 HydrophobicContact CG1-CZ 3.9Å; V252-F285 HydrophobicContact CG2-CE1 4.02Å; V252-F285 HydrophobicContact CG2-CZ 4.36Å; L259-F285 HydrophobicContact CD2-CE2 4.42Å; L259-F285 HydrophobicContact CD2-CZ 4.07Å; P260-F285 HydrophobicContact CG-CD2 4.04Å; P260-F285 HydrophobicContact CG-CE2 3.86Å; W261-F285 AromaticContact CH2-CE2 3.75Å; W261-F285 HydrophobicContact CH2-CE2 3.75Å; W261-F285 HydrophobicContact CH2-CZ 4.1Å; W261-F285 HydrophobicContact CZ3-CD2 4.24Å; W261-F285 AromaticContact CZ3-CE2 3.67Å; W261-F285 HydrophobicContact CZ3-CE2 3.67Å; W261-F285 HydrophobicContact CZ3-CZ 4.46Å; S278-F285 VanDerWaalsContact CB-CD2 3.5Å; S278-F285 VanDerWaalsContact OG-CD2 3.29Å; S278-F285 WeakPolarHBondContact OG-CD2 3.28Å; D281-F285 WeakPolarHBondContact O-CB 3.18Å; D281-F285 PolarHBondContact O-N 2.63Å; D281-F285 VanDerWaalsContact O-N 3.14Å; F285-S287 VanDerWaalsContact C-N 3.33Å; F285-S287 PolarHBondContact O-N 2.86Å; F285-K288 WeakPolarHBondContact O-CB 3.4Å; F285-K288 PolarHBondContact O-N 2.88Å; F285-C289 PolarHBondContact O-N 2.79Å; F285-C289 PolarHBondContact O-SG 3.18Å; F285-M303 HydrophobicContact CD1-CE 4.17Å; F285-M303 HydrophobicContact CD1-SD 4.29Å; F285-M303 HydrophobicContact CE1-CE 3.7Å; F285-M303 HydrophobicContact CE1-SD 3.84Å
286	L	98.1	Very high	95.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.5	-32.6	177.3	-69.5	173.6	0	0	0	112.2	V252 I282 D284 K288 C289 F290 K295 Q300	V252-L286 HydrophobicContact CG2-CD2 3.91Å; I282-L286 HydrophobicContact CG2-CD1 3.95Å; I282-L286 HydrophobicContact CG2-CG 4.35Å; I282-L286 WeakPolarHBondContact O-CB 3.45Å; I282-L286 WeakPolarHBondContact O-CG 3.4Å; I282-L286 PolarHBondContact O-N 2.94Å; D284-L286 VanDerWaalsContact C-N 3.34Å; D284-L286 PolarHBondContact O-N 3.47Å; L286-K288 VanDerWaalsContact C-N 3.26Å; L286-K288 PolarHBondContact O-N 3.29Å; L286-C289 PolarHBondContact O-N 2.89Å; L286-C289 VanDerWaalsContact O-N 3.07Å; L286-F290 HydrophobicContact CB-CD2 4.41Å; L286-F290 HydrophobicContact CD2-CD2 4.05Å; L286-F290 HydrophobicContact CD2-CE2 3.73Å; L286-F290 WeakPolarHBondContact O-CD2 3.07Å; L286-F290 PolarHBondContact O-N 2.87Å; L286-K295 HydrophobicContact CB-CD 4.28Å; L286-K295 HydrophobicContact CB-CG 4.35Å; L286-Q300 HydrophobicContact CD1-CB 3.51Å; L286-Q300 HydrophobicContact CD1-CG 4.22Å
287	S	97.1	Very high	95.8	Very high	70 Å²	70	62.3 Å²	62.3	49%	0.49	32%	0.322	S	S	.	.	H	α-helix	trans	-69.6	-23.7	176	-52.4	0	0	0	0	112.8	S283 D284 F285	S283-S287 WeakPolarHBondContact O-CB 3.28Å; S283-S287 PolarHBondContact O-N 3.13Å; S283-S287 PolarHBondContact O-OG 3.04Å; D284-S287 CarbonylContact O-C 3.11Å; D284-S287 PolarHBondContact O-N 3.29Å; F285-S287 VanDerWaalsContact C-N 3.33Å; F285-S287 PolarHBondContact O-N 2.86Å
288	K	96.6	Very high	95.8	Very high	139 Å²	139	56.8 Å²	56.8	60%	0.604	30%	0.301	S	S	*	.	H	α-helix	trans	-78	-21.9	169.1	-73.9	161.7	172.8	158.2	0	113.4	D284 F285 L286	D284-K288 PolarHBondContact O-N 2.94Å; D284-K288 WeakPolarHBondContact OD1-CE 3.49Å; D284-K288 IonicContact OD1-NZ 2.81Å; D284-K288 PolarHBondContact OD1-NZ 3.06Å; D284-K288 WeakPolarHBondContact OD2-CE 3.38Å; D284-K288 IonicContact OD2-NZ 3.15Å; D284-K288 PolarHBondContact OD2-NZ 3.17Å; F285-K288 WeakPolarHBondContact O-CB 3.4Å; F285-K288 PolarHBondContact O-N 2.88Å; L286-K288 VanDerWaalsContact C-N 3.26Å; L286-K288 PolarHBondContact O-N 3.29Å
289	C	97.3	Very high	95.8	Very high	20 Å²	20	56.3 Å²	56.3	14%	0.135	30%	0.298	C	S	.	.	H	α-helix	trans	-96.5	-29.8	-178.3	-62.7	0	0	0	0	113.5	V252 C256 F285 L286	V252-C289 HydrophobicContact CG1-CB 4.04Å; C256-C289 HydrophobicContact CB-CB 4.11Å; C256-C289 WeakPolarHBondContact CB-O 3.47Å; F285-C289 PolarHBondContact O-N 2.79Å; F285-C289 PolarHBondContact O-SG 3.18Å; L286-C289 PolarHBondContact O-N 2.89Å; L286-C289 VanDerWaalsContact O-N 3.07Å
290	F	97.1	Very high	95.9	Very high	14 Å²	14	55.7 Å²	55.7	6%	0.061	29%	0.294	C	S	.	.	S	Bend	trans	-132.2	140.5	-171.9	-57.8	-75.2	0	0	0	111.4	V252 L255 C256 L286 K295 P296	V252-F290 HydrophobicContact CG1-CE2 4.04Å; V252-F290 HydrophobicContact CG1-CZ 4.17Å; L255-F290 HydrophobicContact CB-CE1 3.51Å; L255-F290 HydrophobicContact CB-CZ 3.74Å; L255-F290 HydrophobicContact CD1-CE1 4.38Å; L255-F290 HydrophobicContact CD1-CZ 4.2Å; C256-F290 HydrophobicContact CB-CD1 4.22Å; C256-F290 HydrophobicContact CB-CE1 3.64Å; C256-F290 HydrophobicContact CB-CZ 3.85Å; L286-F290 HydrophobicContact CB-CD2 4.41Å; L286-F290 HydrophobicContact CD2-CD2 4.05Å; L286-F290 HydrophobicContact CD2-CE2 3.73Å; L286-F290 WeakPolarHBondContact O-CD2 3.07Å; L286-F290 PolarHBondContact O-N 2.87Å; F290-K295 HydrophobicContact CB-CB 4.42Å; F290-P296 HydrophobicContact CD2-CG 4.19Å; F290-P296 HydrophobicContact CE2-CG 3.93Å; F290-P296 HydrophobicContact CZ-CG 4.13Å
291	P	93.7	Very high	95.9	Very high	51 Å²	51	54.4 Å²	54.4	33%	0.331	29%	0.287	S	S	.	.			trans	-65.9	153.3	166.5	32.7	-35.9	0	0	0	109.6	Q293 E294 K295	P291-Q293 PolarHBondContact O-N 3.15Å; P291-E294 HydrophobicContact CG-CB 3.9Å; P291-E294 HydrophobicContact CG-CG 3.93Å; P291-E294 PolarHBondContact O-N 3.46Å; P291-K295 PolarHBondContact O-N 3.44Å
292	P	89.2	Confident	96	Very high	119 Å²	119	50.7 Å²	50.7	77%	0.773	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-52.8	-38.2	-169.9	-29.8	36.2	0	0	0	114.8	E294	P292-E294 VanDerWaalsContact C-N 3.31Å; P292-E294 PolarHBondContact O-N 3.31Å
293	Q	87.8	Confident	96	Very high	151 Å²	151	51.2 Å²	51.2	71%	0.706	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-76.1	-9.4	-179.6	73.8	-74.5	-4.9	0	0	115.1	P291	P291-Q293 PolarHBondContact O-N 3.15Å
294	E	88.4	Confident	96.1	Very high	108 Å²	108	53 Å²	53	51%	0.505	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-113.4	0.2	177.4	-64	175.8	-157.7	0	0	112.8	P291 P292 P296	P291-E294 HydrophobicContact CG-CB 3.9Å; P291-E294 HydrophobicContact CG-CG 3.93Å; P291-E294 PolarHBondContact O-N 3.46Å; P292-E294 VanDerWaalsContact C-N 3.31Å; P292-E294 PolarHBondContact O-N 3.31Å; E294-P296 WeakPolarHBondContact O-CD 3.11Å
295	K	93.7	Very high	96.1	Very high	38 Å²	38	52 Å²	52	17%	0.165	27%	0.266	C	S	.	.			trans	-59.8	123.7	-177.4	-177.2	167.4	168.8	172.7	0	110.9	S283 L286 F290 P291 D297	S283-K295 PolarHBondContact O-NZ 3.11Å; S283-K295 PolarHBondContact OG-NZ 2.68Å; L286-K295 HydrophobicContact CB-CD 4.28Å; L286-K295 HydrophobicContact CB-CG 4.35Å; F290-K295 HydrophobicContact CB-CB 4.42Å; P291-K295 PolarHBondContact O-N 3.44Å; K295-D297 PolarHBondContact O-N 3.44Å
296	P	95.4	Very high	96.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	27%	0.269	C	S	.	.			trans	-89.3	98.5	-177.1	31.6	-31.6	0	0	0	112.2	L255 F290 E294 E298 L299 Q300	L255-P296 HydrophobicContact CD1-CB 4.35Å; L255-P296 HydrophobicContact CD1-CG 4.03Å; F290-P296 HydrophobicContact CD2-CG 4.19Å; F290-P296 HydrophobicContact CE2-CG 3.93Å; F290-P296 HydrophobicContact CZ-CG 4.13Å; E294-P296 WeakPolarHBondContact O-CD 3.11Å; P296-E298 PolarHBondContact O-N 2.84Å; P296-E298 VanDerWaalsContact O-N 3.14Å; P296-L299 HydrophobicContact CB-CB 4.37Å; P296-L299 HydrophobicContact CB-CD1 4.48Å; P296-L299 HydrophobicContact CB-CG 4.09Å; P296-L299 HydrophobicContact CG-CB 4.02Å; P296-L299 HydrophobicContact CG-CD1 3.85Å; P296-L299 HydrophobicContact CG-CG 3.89Å; P296-L299 PolarHBondContact O-N 2.99Å; P296-Q300 PolarHBondContact O-N 3.23Å
297	D	96.9	Very high	96.2	Very high	91 Å²	91	56.8 Å²	56.8	49%	0.487	29%	0.288	S	S	.	.	H	α-helix	trans	-49.1	-36.3	175.7	-77.8	7.5	0	0	0	114.3	K295 L299 Q300 K301	K295-D297 PolarHBondContact O-N 3.44Å; D297-L299 VanDerWaalsContact C-N 3.32Å; D297-Q300 PolarHBondContact O-N 3.17Å; D297-K301 WeakPolarHBondContact O-CG 3.45Å; D297-K301 PolarHBondContact O-N 3.42Å
298	E	98.4	Very high	96.2	Very high	5 Å²	5	57.3 Å²	57.3	2%	0.023	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-30.8	178	68	-78.3	-177	0	0	112.7	R151 L155 P296 F302 I323	R151-E298 IonicContact CZ-OE1 3.72Å; R151-E298 VanDerWaalsContact CZ-OE1 3.28Å; R151-E298 IonicContact CZ-OE2 2.68Å; R151-E298 IonicContact NE-OE1 2.63Å; R151-E298 PolarHBondContact NE-OE1 3.41Å; R151-E298 IonicContact NE-OE2 3.43Å; R151-E298 VanDerWaalsContact NH2-CD 3.27Å; R151-E298 IonicContact NH2-OE1 3.31Å; R151-E298 PolarHBondContact NH2-OE1 3.23Å; R151-E298 IonicContact NH2-OE2 3.7Å; R151-E298 PolarHBondContact NH2-OE2 3.33Å; L155-E298 HydrophobicContact CD1-CG 4.3Å; L155-E298 HydrophobicContact CD2-CG 3.59Å; P296-E298 PolarHBondContact O-N 2.84Å; P296-E298 VanDerWaalsContact O-N 3.14Å; E298-F302 WeakPolarHBondContact O-CB 3.36Å; E298-F302 PolarHBondContact O-N 3Å; E298-I323 HydrophobicContact CB-CG2 3.95Å; E298-I323 WeakPolarHBondContact O-CG2 3.33Å
299	L	98.4	Very high	96.3	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-75.8	-35.2	173.1	-63.1	-164.5	0	0	0	111.4	M251 V252 L255 P296 D297 F302 M303 L324	M251-L299 HydrophobicContact CB-CD1 4.19Å; M251-L299 HydrophobicContact CB-CD2 4.01Å; M251-L299 HydrophobicContact CE-CD2 3.85Å; M251-L299 HydrophobicContact SD-CD2 4.07Å; V252-L299 HydrophobicContact CG2-CD1 3.78Å; L255-L299 HydrophobicContact CD1-CD1 3.58Å; L255-L299 HydrophobicContact CD1-CG 4.4Å; P296-L299 HydrophobicContact CB-CB 4.37Å; P296-L299 HydrophobicContact CB-CD1 4.48Å; P296-L299 HydrophobicContact CB-CG 4.09Å; P296-L299 HydrophobicContact CG-CB 4.02Å; P296-L299 HydrophobicContact CG-CD1 3.85Å; P296-L299 HydrophobicContact CG-CG 3.89Å; P296-L299 PolarHBondContact O-N 2.99Å; D297-L299 VanDerWaalsContact C-N 3.32Å; L299-F302 PolarHBondContact O-N 2.86Å; L299-M303 WeakPolarHBondContact O-CB 3.42Å; L299-M303 VanDerWaalsContact O-CG 3.29Å; L299-M303 WeakPolarHBondContact O-CG 3.29Å; L299-M303 PolarHBondContact O-N 2.92Å; L299-L324 HydrophobicContact CD2-CD2 4.35Å
300	Q	98.5	Very high	96.4	Very high	40 Å²	40	55.8 Å²	55.8	19%	0.187	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-54.7	171.9	-178.5	163.6	-26.5	0	0	110.1	I282 L286 P296 D297 F302 M303 E304	I282-Q300 HydrophobicContact CG2-CG 4.1Å; L286-Q300 HydrophobicContact CD1-CB 3.51Å; L286-Q300 HydrophobicContact CD1-CG 4.22Å; P296-Q300 PolarHBondContact O-N 3.23Å; D297-Q300 PolarHBondContact O-N 3.17Å; Q300-F302 VanDerWaalsContact C-N 3.35Å; Q300-F302 PolarHBondContact O-N 2.66Å; Q300-M303 PolarHBondContact O-N 3.1Å; Q300-E304 HydrophobicContact CG-CG 4.37Å; Q300-E304 WeakPolarHBondContact CG-OE1 3.25Å; Q300-E304 PolarHBondContact NE2-OE1 2.96Å; Q300-E304 WeakPolarHBondContact O-CB 3.47Å; Q300-E304 VanDerWaalsContact O-CG 3.29Å; Q300-E304 WeakPolarHBondContact O-CG 3.5Å; Q300-E304 PolarHBondContact O-N 3.06Å
301	K	98.8	Very high	96.4	Very high	103 Å²	103	56.1 Å²	56.1	45%	0.448	29%	0.29	S	S	.	.	H	α-helix	trans	-59.6	-43.3	178.5	-69.8	162.1	-173.2	161.4	0	111.9	D297 M303 E304 E305 I323	D297-K301 WeakPolarHBondContact O-CG 3.45Å; D297-K301 PolarHBondContact O-N 3.42Å; K301-M303 PolarHBondContact O-N 2.85Å; K301-E304 PolarHBondContact O-N 2.81Å; K301-E305 WeakPolarHBondContact O-CG 3.27Å; K301-E305 PolarHBondContact O-N 3.08Å; K301-I323 HydrophobicContact CB-CD1 4.23Å; K301-I323 HydrophobicContact CB-CG1 4.42Å; K301-I323 HydrophobicContact CB-CG2 3.88Å
302	F	98.9	Very high	96.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-46.4	176.6	179.9	-83.7	0	0	0	111.9	L162 L244 L247 M251 E298 L299 Q300 E305 V306 L320 I323 L324	L162-F302 HydrophobicContact CD1-CE2 4.19Å; L162-F302 HydrophobicContact CD2-CE2 4.14Å; L244-F302 HydrophobicContact CD2-CZ 4.42Å; L247-F302 HydrophobicContact CD2-CZ 4.17Å; L247-F302 HydrophobicContact CG-CZ 4.4Å; M251-F302 HydrophobicContact CE-CD1 3.7Å; M251-F302 HydrophobicContact CE-CD2 4.14Å; M251-F302 HydrophobicContact CE-CE1 3.58Å; M251-F302 HydrophobicContact CE-CE2 4.02Å; M251-F302 HydrophobicContact CE-CG 4Å; M251-F302 HydrophobicContact CE-CZ 3.75Å; E298-F302 WeakPolarHBondContact O-CB 3.36Å; E298-F302 PolarHBondContact O-N 3Å; L299-F302 PolarHBondContact O-N 2.86Å; Q300-F302 VanDerWaalsContact C-N 3.35Å; Q300-F302 PolarHBondContact O-N 2.66Å; F302-E305 PolarHBondContact O-N 3.27Å; F302-V306 HydrophobicContact CD1-CG2 4.17Å; F302-V306 HydrophobicContact CE1-CG2 3.82Å; F302-V306 HydrophobicContact CZ-CG2 4.2Å; F302-V306 WeakPolarHBondContact O-CG2 3.25Å; F302-V306 PolarHBondContact O-N 3.13Å; F302-L320 HydrophobicContact CD2-CB 4.28Å; F302-L320 HydrophobicContact CD2-CD2 3.85Å; F302-L320 HydrophobicContact CE2-CB 4.1Å; F302-L320 HydrophobicContact CE2-CD1 4.44Å; F302-L320 HydrophobicContact CE2-CD2 4Å; F302-L320 HydrophobicContact CE2-CG 4.4Å; F302-L320 HydrophobicContact CG-CD2 4.45Å; F302-I323 HydrophobicContact CB-CG2 4.26Å; F302-L324 HydrophobicContact CD2-CD2 4.12Å; F302-L324 HydrophobicContact CD2-CG 4.34Å
303	M	98.8	Very high	97	Very high	19 Å²	19	55 Å²	55	9%	0.094	27%	0.27	C	S	.	.	H	α-helix	trans	-72	-30.9	-179.8	-67.4	-175.9	78.6	0	0	112.5	F249 V252 I282 F285 L299 Q300 K301 V306 K307	F249-M303 HydrophobicContact CD1-CE 4Å; F249-M303 HydrophobicContact CE1-CE 3.82Å; V252-M303 HydrophobicContact CG2-SD 4.17Å; I282-M303 HydrophobicContact CD1-CB 3.9Å; I282-M303 HydrophobicContact CG1-CB 4.37Å; I282-M303 HydrophobicContact CG2-CB 3.98Å; F285-M303 HydrophobicContact CD1-CE 4.17Å; F285-M303 HydrophobicContact CD1-SD 4.29Å; F285-M303 HydrophobicContact CE1-CE 3.7Å; F285-M303 HydrophobicContact CE1-SD 3.84Å; L299-M303 WeakPolarHBondContact O-CB 3.42Å; L299-M303 VanDerWaalsContact O-CG 3.29Å; L299-M303 WeakPolarHBondContact O-CG 3.29Å; L299-M303 PolarHBondContact O-N 2.92Å; Q300-M303 PolarHBondContact O-N 3.1Å; K301-M303 PolarHBondContact O-N 2.85Å; M303-V306 PolarHBondContact O-N 3.34Å; M303-K307 VanDerWaalsContact O-CB 3.23Å; M303-K307 WeakPolarHBondContact O-CB 3.46Å; M303-K307 PolarHBondContact O-N 2.95Å
304	E	98.8	Very high	97.6	Very high	83 Å²	83	52 Å²	52	39%	0.388	26%	0.262	S	S	.	.	H	α-helix	trans	-64.7	-44	172.4	-74.6	165.8	173.2	0	0	111.4	I282 Q300 K301 K307 S308	I282-E304 HydrophobicContact CD1-CB 4.46Å; I282-E304 HydrophobicContact CD1-CG 3.83Å; Q300-E304 HydrophobicContact CG-CG 4.37Å; Q300-E304 WeakPolarHBondContact CG-OE1 3.25Å; Q300-E304 PolarHBondContact NE2-OE1 2.96Å; Q300-E304 WeakPolarHBondContact O-CB 3.47Å; Q300-E304 VanDerWaalsContact O-CG 3.29Å; Q300-E304 WeakPolarHBondContact O-CG 3.5Å; Q300-E304 PolarHBondContact O-N 3.06Å; K301-E304 PolarHBondContact O-N 2.81Å; E304-K307 WeakPolarHBondContact O-CB 3.42Å; E304-K307 PolarHBondContact O-N 2.93Å; E304-S308 PolarHBondContact O-N 3.01Å
305	E	98.8	Very high	98.1	Very high	39 Å²	39	47 Å²	47	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-48.4	172.4	-66.4	-62.6	140.4	0	0	111.6	K301 F302 K307 S308 K319 L320 I323	K301-E305 WeakPolarHBondContact O-CG 3.27Å; K301-E305 PolarHBondContact O-N 3.08Å; F302-E305 PolarHBondContact O-N 3.27Å; E305-K307 VanDerWaalsContact C-N 3.27Å; E305-K307 PolarHBondContact O-N 2.87Å; E305-S308 PolarHBondContact O-N 3.31Å; E305-S308 VanDerWaalsContact O-N 3.09Å; E305-S308 PolarHBondContact O-OG 2.73Å; E305-K319 WeakPolarHBondContact OE1-CE 3.45Å; E305-K319 IonicContact OE1-NZ 3.66Å; E305-K319 PolarHBondContact OE1-NZ 2.78Å; E305-K319 VanDerWaalsContact OE2-CD 3.3Å; E305-K319 WeakPolarHBondContact OE2-CD 3.34Å; E305-K319 WeakPolarHBondContact OE2-CE 3.42Å; E305-K319 IonicContact OE2-NZ 2.7Å; E305-K319 PolarHBondContact OE2-NZ 3.35Å; E305-L320 HydrophobicContact CB-CD2 3.69Å; E305-L320 HydrophobicContact CG-CD2 4.26Å; E305-I323 HydrophobicContact CG-CD1 3.56Å
306	V	98.6	Very high	98.3	Very high	10 Å²	10	47.5 Å²	47.5	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-34.5	178.8	173.2	0	0	0	0	111.9	L244 Q245 F302 M303 S308 L309 L320	L244-V306 HydrophobicContact CB-CG1 4.03Å; L244-V306 HydrophobicContact CB-CG2 3.7Å; L244-V306 HydrophobicContact CD1-CG2 4.42Å; Q245-V306 HydrophobicContact CB-CG1 4.17Å; F302-V306 HydrophobicContact CD1-CG2 4.17Å; F302-V306 HydrophobicContact CE1-CG2 3.82Å; F302-V306 HydrophobicContact CZ-CG2 4.2Å; F302-V306 WeakPolarHBondContact O-CG2 3.25Å; F302-V306 PolarHBondContact O-N 3.13Å; M303-V306 PolarHBondContact O-N 3.34Å; V306-S308 VanDerWaalsContact C-N 3.27Å; V306-S308 PolarHBondContact O-N 2.81Å; V306-L309 PolarHBondContact O-N 3.07Å; V306-L320 HydrophobicContact CG2-CD2 4.37Å
307	K	98.3	Very high	98.5	Very high	91 Å²	91	47.9 Å²	47.9	40%	0.396	25%	0.248	S	C	.	.	H	α-helix	trans	-63.3	-32.4	174.7	173.1	-175.4	-176.1	168.9	0	112.5	Q279 E280 I282 M303 E304 E305 L309	Q279-K307 HydrophobicContact CG-CB 4.15Å; Q279-K307 HydrophobicContact CG-CD 4.27Å; Q279-K307 HydrophobicContact CG-CG 3.91Å; Q279-K307 WeakPolarHBondContact O-CD 3.49Å; Q279-K307 WeakPolarHBondContact O-CE 3.26Å; Q279-K307 PolarHBondContact O-NZ 2.98Å; E280-K307 PolarHBondContact O-NZ 2.98Å; I282-K307 HydrophobicContact CD1-CB 4.26Å; I282-K307 HydrophobicContact CD1-CD 3.91Å; M303-K307 VanDerWaalsContact O-CB 3.23Å; M303-K307 WeakPolarHBondContact O-CB 3.46Å; M303-K307 PolarHBondContact O-N 2.95Å; E304-K307 WeakPolarHBondContact O-CB 3.42Å; E304-K307 PolarHBondContact O-N 2.93Å; E305-K307 VanDerWaalsContact C-N 3.27Å; E305-K307 PolarHBondContact O-N 2.87Å; K307-L309 VanDerWaalsContact C-N 3.26Å; K307-L309 PolarHBondContact O-N 3.26Å
308	S	98.3	Very high	98.5	Very high	81 Å²	81	52 Å²	52	57%	0.566	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.9	-179.3	71.1	0	0	0	0	114.8	E304 E305 V306	E304-S308 PolarHBondContact O-N 3.01Å; E305-S308 PolarHBondContact O-N 3.31Å; E305-S308 VanDerWaalsContact O-N 3.09Å; E305-S308 PolarHBondContact O-OG 2.73Å; V306-S308 VanDerWaalsContact C-N 3.27Å; V306-S308 PolarHBondContact O-N 2.81Å
309	L	98.6	Very high	98.5	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.063	28%	0.282	C	S	.	.			trans	-79.9	121.3	-177.9	-63.3	172.8	0	0	0	112.9	R241 L244 V306 K307 D313 P315	R241-L309 HydrophobicContact CB-CB 3.92Å; R241-L309 HydrophobicContact CB-CD1 4Å; R241-L309 VanDerWaalsContact CD-O 3.23Å; R241-L309 WeakPolarHBondContact CD-O 3.22Å; R241-L309 PolarHBondContact NH1-O 3.46Å; L244-L309 HydrophobicContact CD1-CD1 3.99Å; V306-L309 PolarHBondContact O-N 3.07Å; K307-L309 VanDerWaalsContact C-N 3.26Å; K307-L309 PolarHBondContact O-N 3.26Å; L309-D313 HydrophobicContact CB-CB 4.42Å; L309-D313 HydrophobicContact CD2-CB 3.9Å; L309-P315 HydrophobicContact CD1-CB 4.04Å; L309-P315 HydrophobicContact CD1-CG 4.09Å
310	D	98.4	Very high	98.6	Very high	115 Å²	115	56.6 Å²	56.6	62%	0.615	28%	0.282	S	S	*	.			trans	-66.6	159.9	162.8	-88.7	-35.7	0	0	0	111.3	K312 D313	D310-K312 PolarHBondContact O-N 2.91Å; D310-K312 VanDerWaalsContact O-N 3.07Å; D310-D313 PolarHBondContact N-OD2 3.05Å; D310-D313 PolarHBondContact O-N 3.11Å; D310-D313 VanDerWaalsContact O-N 3.08Å
311	Y	97.9	Very high	98.6	Very high	21 Å²	21	56.5 Å²	56.5	8%	0.082	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.2	-170.9	176	-102.6	0	0	0	113.8	K211 E212 Y213 S237 S239	K211-Y311 WeakPolarHBondContact O-CE1 3.33Å; E212-Y311 VanDerWaalsContact C-CE1 3.48Å; E212-Y311 PolarHBondContact O-OH 2.97Å; Y213-Y311 HydrophobicContact CD2-CD1 4.34Å; Y213-Y311 AromaticContact CD2-CD2 3.65Å; Y213-Y311 HydrophobicContact CD2-CD2 3.65Å; Y213-Y311 AromaticContact CD2-CE2 3.92Å; Y213-Y311 HydrophobicContact CD2-CE2 3.92Å; Y213-Y311 AromaticContact CD2-CG 3.84Å; Y213-Y311 HydrophobicContact CD2-CG 3.84Å; Y213-Y311 HydrophobicContact CE2-CD2 4.43Å; Y213-Y311 HydrophobicContact CG-CG 4.43Å; S237-Y311 VanDerWaalsContact O-CE2 3.28Å; S237-Y311 WeakPolarHBondContact O-CE2 3.32Å; S237-Y311 PolarHBondContact O-OH 2.88Å; S239-Y311 VanDerWaalsContact CB-O 3.26Å; S239-Y311 WeakPolarHBondContact CB-O 3.28Å; S239-Y311 WeakPolarHBondContact OG-CD2 3.24Å; S239-Y311 PolarHBondContact OG-O 2.89Å
312	K	98	Very high	98.6	Very high	82 Å²	82	53.9 Å²	53.9	36%	0.357	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-7.9	-179.1	-72.5	-173.2	-176.2	177.2	0	114.1	L210 E212 R240 D310	L210-K312 HydrophobicContact CB-CD 4.41Å; L210-K312 HydrophobicContact CB-CG 4.47Å; L210-K312 HydrophobicContact CD1-CB 3.81Å; L210-K312 HydrophobicContact CD1-CD 4.21Å; L210-K312 HydrophobicContact CD1-CG 4.1Å; E212-K312 IonicContact OE1-NZ 3.8Å; E212-K312 PolarHBondContact OE1-NZ 3.35Å; E212-K312 WeakPolarHBondContact OE2-CE 3.38Å; E212-K312 IonicContact OE2-NZ 3.52Å; E212-K312 PolarHBondContact OE2-NZ 3.13Å; R240-K312 PolarHBondContact NH2-O 3.42Å; D310-K312 PolarHBondContact O-N 2.91Å; D310-K312 VanDerWaalsContact O-N 3.07Å
313	D	98.4	Very high	98.6	Very high	63 Å²	63	54.9 Å²	54.9	34%	0.337	28%	0.279	S	S	.	.			trans	-62	149.2	-170.5	-75.1	-9.4	0	0	0	113.3	R240 L309 D310 P315	R240-D313 VanDerWaalsContact CZ-O 3.27Å; R240-D313 PolarHBondContact NE-O 2.6Å; R240-D313 PolarHBondContact NH2-O 3.3Å; L309-D313 HydrophobicContact CB-CB 4.42Å; L309-D313 HydrophobicContact CD2-CB 3.9Å; D310-D313 PolarHBondContact N-OD2 3.05Å; D310-D313 PolarHBondContact O-N 3.11Å; D310-D313 VanDerWaalsContact O-N 3.08Å; D313-P315 WeakPolarHBondContact O-CD 3.43Å
314	T	98.5	Very high	98.6	Very high	89 Å²	89	54 Å²	54	55%	0.546	28%	0.275	S	S	.	.			trans	-85.6	114.1	165.1	-58.1	0	0	0	0	107.7	R240	R240-T314 PolarHBondContact NH1-OG1 3.35Å; R240-T314 PolarHBondContact NH2-OG1 3.41Å
315	P	98.8	Very high	98.6	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.026	27%	0.273	C	S	.	.			trans	-62.5	146.2	-176.8	-22.8	32.5	0	0	0	113	R240 L244 L309 D313 Y317 L320	R240-P315 HydrophobicContact CB-CG 3.76Å; L244-P315 HydrophobicContact CD1-CB 3.36Å; L244-P315 HydrophobicContact CD1-CG 3.48Å; L244-P315 VanDerWaalsContact CD1-CG 3.48Å; L309-P315 HydrophobicContact CD1-CB 4.04Å; L309-P315 HydrophobicContact CD1-CG 4.09Å; D313-P315 WeakPolarHBondContact O-CD 3.43Å; P315-Y317 HydrophobicContact CB-CD1 4.26Å; P315-Y317 HydrophobicContact CB-CE1 3.88Å; P315-Y317 HydrophobicContact CB-CE2 4.26Å; P315-Y317 WeakPolarHBondContact CD-OH 3.48Å; P315-Y317 HydrophobicContact CG-CE1 4.05Å; P315-Y317 HydrophobicContact CG-CE2 4.44Å; P315-Y317 WeakPolarHBondContact O-CD2 3.45Å; P315-Y317 WeakPolarHBondContact O-CE2 3.08Å; P315-Y317 PolarHBondContact O-N 2.84Å; P315-L320 HydrophobicContact CB-CD1 4.39Å
316	P	98.7	Very high	98.6	Very high	48 Å²	48	55.2 Å²	55.2	31%	0.312	28%	0.283	S	S	.	.			trans	-80.1	65.9	177.9	34.5	-37	0	0	0	110.9	K318 K319 L320	P316-K318 PolarHBondContact O-N 2.82Å; P316-K319 HydrophobicContact CB-CB 3.95Å; P316-K319 HydrophobicContact CG-CB 4.34Å; P316-K319 WeakPolarHBondContact O-CA 3.48Å; P316-K319 VanDerWaalsContact O-CB 3.31Å; P316-K319 WeakPolarHBondContact O-CB 3.37Å; P316-K319 PolarHBondContact O-N 2.84Å; P316-L320 PolarHBondContact O-N 2.88Å
317	Y	98.8	Very high	98.5	Very high	8 Å²	8	54.9 Å²	54.9	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-52.8	-35.3	-173.8	-55.6	-76.9	0	0	0	113.9	L162 E166 H169 L244 P315 K319 L320 R321	L162-Y317 HydrophobicContact CD2-CD1 4.36Å; E166-Y317 HydrophobicContact CB-CD1 4Å; E166-Y317 HydrophobicContact CB-CD2 4.03Å; E166-Y317 HydrophobicContact CB-CE1 4.18Å; E166-Y317 HydrophobicContact CB-CE2 4.2Å; E166-Y317 HydrophobicContact CB-CG 3.93Å; E166-Y317 HydrophobicContact CG-CD1 4.47Å; E166-Y317 HydrophobicContact CG-CD2 3.59Å; E166-Y317 HydrophobicContact CG-CE2 3.89Å; E166-Y317 HydrophobicContact CG-CG 3.92Å; E166-Y317 VanDerWaalsContact OE1-CB 3.22Å; E166-Y317 WeakPolarHBondContact OE1-CB 3.26Å; E166-Y317 VanDerWaalsContact OE1-CD2 3.31Å; E166-Y317 WeakPolarHBondContact OE1-CD2 3.41Å; H169-Y317 VanDerWaalsContact CB-OH 3.31Å; H169-Y317 WeakPolarHBondContact CB-OH 3.24Å; H169-Y317 AromaticContact ND1-CE1 3.83Å; H169-Y317 AromaticContact ND1-CZ 3.68Å; H169-Y317 PolarHBondContact ND1-OH 3.18Å; L244-Y317 HydrophobicContact CD1-CE1 4.5Å; P315-Y317 HydrophobicContact CB-CD1 4.26Å; P315-Y317 HydrophobicContact CB-CE1 3.88Å; P315-Y317 HydrophobicContact CB-CE2 4.26Å; P315-Y317 WeakPolarHBondContact CD-OH 3.48Å; P315-Y317 HydrophobicContact CG-CE1 4.05Å; P315-Y317 HydrophobicContact CG-CE2 4.44Å; P315-Y317 WeakPolarHBondContact O-CD2 3.45Å; P315-Y317 WeakPolarHBondContact O-CE2 3.08Å; P315-Y317 PolarHBondContact O-N 2.84Å; Y317-K319 VanDerWaalsContact C-N 3.33Å; Y317-K319 PolarHBondContact O-N 2.88Å; Y317-L320 PolarHBondContact O-N 2.98Å; Y317-R321 WeakPolarHBondContact O-CB 3.19Å; Y317-R321 WeakPolarHBondContact O-CG 3.37Å; Y317-R321 PolarHBondContact O-N 3.26Å; Y317-R321 PolarHBondContact O-NE 3.3Å
318	K	98.6	Very high	98.5	Very high	178 Å²	178	50.6 Å²	50.6	77%	0.774	26%	0.263	S	S	*	.	H	α-helix	trans	-61.8	-38.8	174.1	-171.4	178.9	-179.6	179.8	0	112.4	P316 S322	P316-K318 PolarHBondContact O-N 2.82Å; K318-S322 WeakPolarHBondContact O-CB 3.48Å; K318-S322 PolarHBondContact O-N 2.82Å
319	K	98.8	Very high	98.5	Very high	102 Å²	102	53.1 Å²	53.1	44%	0.443	26%	0.263	S	S	.	.	H	α-helix	trans	-71.3	-44.3	175.8	-168.3	177.7	176.3	-164.1	0	110.7	E305 P316 Y317 R321 S322 I323	E305-K319 WeakPolarHBondContact OE1-CE 3.45Å; E305-K319 IonicContact OE1-NZ 3.66Å; E305-K319 PolarHBondContact OE1-NZ 2.78Å; E305-K319 VanDerWaalsContact OE2-CD 3.3Å; E305-K319 WeakPolarHBondContact OE2-CD 3.34Å; E305-K319 WeakPolarHBondContact OE2-CE 3.42Å; E305-K319 IonicContact OE2-NZ 2.7Å; E305-K319 PolarHBondContact OE2-NZ 3.35Å; P316-K319 HydrophobicContact CB-CB 3.95Å; P316-K319 HydrophobicContact CG-CB 4.34Å; P316-K319 WeakPolarHBondContact O-CA 3.48Å; P316-K319 VanDerWaalsContact O-CB 3.31Å; P316-K319 WeakPolarHBondContact O-CB 3.37Å; P316-K319 PolarHBondContact O-N 2.84Å; Y317-K319 VanDerWaalsContact C-N 3.33Å; Y317-K319 PolarHBondContact O-N 2.88Å; K319-R321 PolarHBondContact O-N 3.47Å; K319-S322 WeakPolarHBondContact O-CB 3.42Å; K319-S322 PolarHBondContact O-N 3.27Å; K319-S322 VanDerWaalsContact O-N 3.16Å; K319-I323 HydrophobicContact CG-CD1 4.46Å; K319-I323 WeakPolarHBondContact O-CG1 3.02Å; K319-I323 PolarHBondContact O-N 3.27Å
320	L	98.9	Very high	98.4	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-45.3	175	-62.4	173.9	0	0	0	111.7	L162 L244 F302 E305 V306 P315 P316 Y317 I323 L324	L162-L320 HydrophobicContact CD1-CB 3.83Å; L162-L320 HydrophobicContact CD2-CB 4.02Å; L162-L320 HydrophobicContact CD2-CD1 4Å; L244-L320 HydrophobicContact CD1-CD1 3.75Å; L244-L320 HydrophobicContact CD2-CD1 4.13Å; F302-L320 HydrophobicContact CD2-CB 4.28Å; F302-L320 HydrophobicContact CD2-CD2 3.85Å; F302-L320 HydrophobicContact CE2-CB 4.1Å; F302-L320 HydrophobicContact CE2-CD1 4.44Å; F302-L320 HydrophobicContact CE2-CD2 4Å; F302-L320 HydrophobicContact CE2-CG 4.4Å; F302-L320 HydrophobicContact CG-CD2 4.45Å; E305-L320 HydrophobicContact CB-CD2 3.69Å; E305-L320 HydrophobicContact CG-CD2 4.26Å; V306-L320 HydrophobicContact CG2-CD2 4.37Å; P315-L320 HydrophobicContact CB-CD1 4.39Å; P316-L320 PolarHBondContact O-N 2.88Å; Y317-L320 PolarHBondContact O-N 2.98Å; L320-I323 PolarHBondContact O-N 3.2Å; L320-L324 PolarHBondContact O-N 3.48Å
321	R	98.8	Very high	98.3	Very high	37 Å²	37	53.6 Å²	53.6	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-43.4	173.4	-74.7	-178.8	-75.9	-152.5	-2.2	111.8	L159 L162 D163 E166 Y317 K319 I323 L324 Q325	L159-R321 HydrophobicContact CD2-CB 3.91Å; L159-R321 HydrophobicContact CD2-CG 3.98Å; L159-R321 WeakPolarHBondContact CD2-O 3.46Å; L162-R321 HydrophobicContact CB-CG 3.89Å; L162-R321 HydrophobicContact CD1-CB 4.46Å; L162-R321 HydrophobicContact CD1-CG 3.69Å; L162-R321 HydrophobicContact CG-CG 4.45Å; D163-R321 VanDerWaalsContact OD1-CD 3.3Å; D163-R321 WeakPolarHBondContact OD1-CD 3.46Å; D163-R321 IonicContact OD1-CZ 3.94Å; D163-R321 IonicContact OD1-NE 2.8Å; D163-R321 IonicContact OD1-NH1 3.57Å; D163-R321 PolarHBondContact OD1-NH1 3.01Å; E166-R321 IonicContact OE1-CZ 2.84Å; E166-R321 IonicContact OE1-NH2 3.58Å; E166-R321 PolarHBondContact OE1-NH2 2.89Å; E166-R321 IonicContact OE2-CZ 2.9Å; E166-R321 IonicContact OE2-NH1 3.66Å; E166-R321 PolarHBondContact OE2-NH1 3.11Å; E166-R321 IonicContact OE2-NH2 3.68Å; E166-R321 PolarHBondContact OE2-NH2 3.27Å; Y317-R321 WeakPolarHBondContact O-CB 3.19Å; Y317-R321 WeakPolarHBondContact O-CG 3.37Å; Y317-R321 PolarHBondContact O-N 3.26Å; Y317-R321 PolarHBondContact O-NE 3.3Å; K319-R321 PolarHBondContact O-N 3.47Å; R321-I323 VanDerWaalsContact C-N 3.33Å; R321-I323 PolarHBondContact O-N 3.18Å; R321-L324 PolarHBondContact O-N 3.09Å; R321-Q325 WeakPolarHBondContact O-CB 3.41Å; R321-Q325 VanDerWaalsContact O-CG 3.29Å; R321-Q325 WeakPolarHBondContact O-CG 3.45Å; R321-Q325 PolarHBondContact O-N 2.97Å
322	S	98.7	Very high	98.3	Very high	49 Å²	49	61.9 Å²	61.9	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-37.8	175.7	-174.6	0	0	0	0	113	K318 K319 Q325 N326	K318-S322 WeakPolarHBondContact O-CB 3.48Å; K318-S322 PolarHBondContact O-N 2.82Å; K319-S322 WeakPolarHBondContact O-CB 3.42Å; K319-S322 PolarHBondContact O-N 3.27Å; K319-S322 VanDerWaalsContact O-N 3.16Å; S322-Q325 PolarHBondContact O-N 3.26Å; S322-N326 WeakPolarHBondContact O-CB 3.34Å; S322-N326 PolarHBondContact O-N 2.77Å; S322-N326 PolarHBondContact O-ND2 3.1Å; S322-N326 VanDerWaalsContact O-ND2 3.13Å
323	I	98.9	Very high	98.3	Very high	21 Å²	21	59.1 Å²	59.1	11%	0.108	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-51.3	175.8	-71.4	163.8	0	0	0	110.7	E298 K301 F302 E305 K319 L320 R321 Q325 N326 G327	E298-I323 HydrophobicContact CB-CG2 3.95Å; E298-I323 WeakPolarHBondContact O-CG2 3.33Å; K301-I323 HydrophobicContact CB-CD1 4.23Å; K301-I323 HydrophobicContact CB-CG1 4.42Å; K301-I323 HydrophobicContact CB-CG2 3.88Å; F302-I323 HydrophobicContact CB-CG2 4.26Å; E305-I323 HydrophobicContact CG-CD1 3.56Å; K319-I323 HydrophobicContact CG-CD1 4.46Å; K319-I323 WeakPolarHBondContact O-CG1 3.02Å; K319-I323 PolarHBondContact O-N 3.27Å; L320-I323 PolarHBondContact O-N 3.2Å; R321-I323 VanDerWaalsContact C-N 3.33Å; R321-I323 PolarHBondContact O-N 3.18Å; I323-Q325 PolarHBondContact O-N 2.9Å; I323-N326 PolarHBondContact O-N 2.98Å; I323-G327 PolarHBondContact O-N 2.91Å
324	L	98.8	Very high	98.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.6	-37.3	179.2	-57.1	-175.7	0	0	0	112.3	L155 L159 L162 M251 L299 F302 L320 R321 N326 G327 L328	L155-L324 HydrophobicContact CD2-CB 4.38Å; L155-L324 HydrophobicContact CD2-CD2 3.84Å; L159-L324 HydrophobicContact CD2-CB 3.91Å; L159-L324 HydrophobicContact CD2-CD1 4.45Å; L159-L324 HydrophobicContact CG-CB 4.13Å; L159-L324 HydrophobicContact CG-CD1 4.49Å; L162-L324 HydrophobicContact CD1-CD1 3.77Å; M251-L324 HydrophobicContact CE-CD2 4.42Å; M251-L324 HydrophobicContact SD-CD1 4.22Å; M251-L324 HydrophobicContact SD-CD2 4.3Å; L299-L324 HydrophobicContact CD2-CD2 4.35Å; F302-L324 HydrophobicContact CD2-CD2 4.12Å; F302-L324 HydrophobicContact CD2-CG 4.34Å; L320-L324 PolarHBondContact O-N 3.48Å; R321-L324 PolarHBondContact O-N 3.09Å; L324-N326 VanDerWaalsContact C-N 3.32Å; L324-N326 PolarHBondContact O-N 3.47Å; L324-G327 WeakPolarHBondContact O-CA 3.32Å; L324-G327 PolarHBondContact O-N 3.06Å; L324-G327 VanDerWaalsContact O-N 3.16Å; L324-L328 PolarHBondContact O-N 3.18Å
325	Q	98.6	Very high	98	Very high	74 Å²	74	61.9 Å²	61.9	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-36	172.9	-76.9	171.1	-12	0	0	112.6	L159 R321 S322 I323 L328 K329	L159-Q325 HydrophobicContact CD1-CG 4Å; L159-Q325 HydrophobicContact CD2-CG 3.94Å; R321-Q325 WeakPolarHBondContact O-CB 3.41Å; R321-Q325 VanDerWaalsContact O-CG 3.29Å; R321-Q325 WeakPolarHBondContact O-CG 3.45Å; R321-Q325 PolarHBondContact O-N 2.97Å; S322-Q325 PolarHBondContact O-N 3.26Å; I323-Q325 PolarHBondContact O-N 2.9Å; Q325-L328 PolarHBondContact O-N 3.24Å; Q325-K329 WeakPolarHBondContact O-CG 3.27Å; Q325-K329 PolarHBondContact O-N 2.94Å; Q325-K329 VanDerWaalsContact O-N 3.16Å
326	N	98.4	Very high	97.9	Very high	74 Å²	74	64 Å²	64	40%	0.396	32%	0.319	S	S	.	.	H	α-helix	trans	-73	-30.6	174.2	-68.4	-27.2	0	0	0	111.9	S322 I323 L324 K329 S330	S322-N326 WeakPolarHBondContact O-CB 3.34Å; S322-N326 PolarHBondContact O-N 2.77Å; S322-N326 PolarHBondContact O-ND2 3.1Å; S322-N326 VanDerWaalsContact O-ND2 3.13Å; I323-N326 PolarHBondContact O-N 2.98Å; L324-N326 VanDerWaalsContact C-N 3.32Å; L324-N326 PolarHBondContact O-N 3.47Å; N326-K329 PolarHBondContact O-N 2.97Å; N326-K329 PolarHBondContact OD1-NZ 3.03Å; N326-S330 PolarHBondContact O-N 2.92Å
327	G	98.3	Very high	97.7	Very high	2 Å²	2	62.8 Å²	62.8	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-61.6	-38.3	166.8	0	0	0	0	0	113.4	L155 I323 L324 S330 I331	L155-G327 VanDerWaalsContact CD1-C 3.4Å; I323-G327 PolarHBondContact O-N 2.91Å; L324-G327 WeakPolarHBondContact O-CA 3.32Å; L324-G327 PolarHBondContact O-N 3.06Å; L324-G327 VanDerWaalsContact O-N 3.16Å; G327-S330 PolarHBondContact O-N 3.47Å; G327-S330 PolarHBondContact O-OG 3.46Å; G327-I331 PolarHBondContact O-N 3.49Å
328	L	98.4	Very high	97.6	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-44.9	172.4	-73.5	170.3	0	0	0	111.1	K152 L155 L159 L324 Q325 S330 I331 Q332 A333 D335	K152-L328 HydrophobicContact CG-CD2 4.09Å; L155-L328 HydrophobicContact CB-CD2 3.8Å; L155-L328 HydrophobicContact CB-CG 3.89Å; L155-L328 HydrophobicContact CD1-CD2 4.1Å; L155-L328 HydrophobicContact CD1-CG 4.08Å; L159-L328 HydrophobicContact CD1-CD1 3.77Å; L324-L328 PolarHBondContact O-N 3.18Å; Q325-L328 PolarHBondContact O-N 3.24Å; L328-S330 PolarHBondContact O-N 3.22Å; L328-I331 WeakPolarHBondContact O-CG1 3.17Å; L328-I331 PolarHBondContact O-N 3.06Å; L328-Q332 PolarHBondContact O-N 3.07Å; L328-A333 CarbonylContact C-O 3.51Å; L328-A333 VanDerWaalsContact C-O 3.31Å; L328-A333 HydrophobicContact CB-CB 4.35Å; L328-A333 HydrophobicContact CD2-CB 3.99Å; L328-A333 CarbonylContact O-C 3.57Å; L328-A333 WeakPolarHBondContact O-CA 3.03Å; L328-A333 WeakPolarHBondContact O-CB 3.46Å; L328-A333 PolarHBondContact O-N 3.33Å; L328-A333 VanDerWaalsContact O-O 3.09Å; L328-D335 HydrophobicContact CD1-CB 4.18Å
329	K	97.8	Very high	97.5	Very high	134 Å²	134	58.1 Å²	58.1	58%	0.583	30%	0.297	S	S	*	.	H	α-helix	trans	-61.9	-39	178.4	-65.9	170.1	-164	162.8	0	112.8	Q325 N326 I331 Q332	Q325-K329 WeakPolarHBondContact O-CG 3.27Å; Q325-K329 PolarHBondContact O-N 2.94Å; Q325-K329 VanDerWaalsContact O-N 3.16Å; N326-K329 PolarHBondContact O-N 2.97Å; N326-K329 PolarHBondContact OD1-NZ 3.03Å; K329-I331 VanDerWaalsContact C-N 3.25Å; K329-I331 PolarHBondContact O-N 3.19Å; K329-Q332 PolarHBondContact O-N 3.45Å
330	S	96.8	Very high	97.4	Very high	80 Å²	80	57.8 Å²	57.8	56%	0.559	30%	0.297	S	S	*	.	H	α-helix	trans	-65.9	-28.5	-179.1	68.7	0	0	0	0	112.8	N326 G327 L328 Q332	N326-S330 PolarHBondContact O-N 2.92Å; G327-S330 PolarHBondContact O-N 3.47Å; G327-S330 PolarHBondContact O-OG 3.46Å; L328-S330 PolarHBondContact O-N 3.22Å; S330-Q332 VanDerWaalsContact C-N 3.33Å
331	I	96.3	Very high	97.2	Very high	58 Å²	58	60 Å²	60	30%	0.297	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	17	171.6	68.9	172.5	0	0	0	113.5	R151 K152 G327 L328 K329 A333	R151-I331 HydrophobicContact CB-CD1 4.2Å; R151-I331 HydrophobicContact CG-CD1 4.2Å; K152-I331 HydrophobicContact CB-CD1 4.17Å; G327-I331 PolarHBondContact O-N 3.49Å; L328-I331 WeakPolarHBondContact O-CG1 3.17Å; L328-I331 PolarHBondContact O-N 3.06Å; K329-I331 VanDerWaalsContact C-N 3.25Å; K329-I331 PolarHBondContact O-N 3.19Å; I331-A333 HydrophobicContact CD1-CB 4.18Å; I331-A333 HydrophobicContact CG1-CB 3.87Å; I331-A333 PolarHBondContact O-N 2.61Å; I331-A333 VanDerWaalsContact O-N 3.16Å
332	Q	97.2	Very high	96.8	Very high	194 Å²	194	61.9 Å²	61.9	91%	0.907	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	22.5	-178.2	-55.4	-179.5	-1.4	0	0	114.6	L328 K329 S330	L328-Q332 PolarHBondContact O-N 3.07Å; K329-Q332 PolarHBondContact O-N 3.45Å; S330-Q332 VanDerWaalsContact C-N 3.33Å
333	A	97.1	Very high	95.8	Very high	24 Å²	24	65.1 Å²	65.1	20%	0.198	33%	0.332	C	S	.	.			trans	-97.4	169.9	172.9	0	0	0	0	0	111.6	K152 L328 I331	K152-A333 HydrophobicContact CD-CB 4.44Å; K152-A333 HydrophobicContact CG-CB 4.22Å; L328-A333 CarbonylContact C-O 3.51Å; L328-A333 VanDerWaalsContact C-O 3.31Å; L328-A333 HydrophobicContact CB-CB 4.35Å; L328-A333 HydrophobicContact CD2-CB 3.99Å; L328-A333 CarbonylContact O-C 3.57Å; L328-A333 WeakPolarHBondContact O-CA 3.03Å; L328-A333 WeakPolarHBondContact O-CB 3.46Å; L328-A333 PolarHBondContact O-N 3.33Å; L328-A333 VanDerWaalsContact O-O 3.09Å; I331-A333 HydrophobicContact CD1-CB 4.18Å; I331-A333 HydrophobicContact CG1-CB 3.87Å; I331-A333 PolarHBondContact O-N 2.61Å; I331-A333 VanDerWaalsContact O-N 3.16Å
334	K	95	Very high	94.4	Very high	147 Å²	147	67.3 Å²	67.3	64%	0.639	35%	0.347	S	S	*	.			trans	-131.2	161.5	176.1	66.8	-175.3	-178.9	-176.7	0	110.1	Q156 D336	Q156-K334 PolarHBondContact NE2-O 3.17Å; K334-D336 VanDerWaalsContact C-N 3.32Å; K334-D336 HydrophobicContact CG-CB 4.04Å; K334-D336 PolarHBondContact O-N 2.86Å
335	D	96.5	Very high	92.2	Very high	63 Å²	63	71.5 Å²	71.5	34%	0.337	38%	0.376	S	S	.	.			trans	-74.2	89.3	167	-170.8	0.7	0	0	0	109.4	Q156 L159 R160 L328 G337	Q156-D335 PolarHBondContact NE2-OD1 2.88Å; Q156-D335 PolarHBondContact OE1-OD1 3.49Å; L159-D335 HydrophobicContact CD1-CB 4.32Å; R160-D335 IonicContact CZ-OD1 3.83Å; R160-D335 IonicContact CZ-OD2 2.61Å; R160-D335 IonicContact NH1-OD1 2.77Å; R160-D335 PolarHBondContact NH1-OD1 2.99Å; R160-D335 IonicContact NH1-OD2 3.37Å; R160-D335 IonicContact NH2-OD1 2.97Å; R160-D335 IonicContact NH2-OD2 3.64Å; R160-D335 PolarHBondContact NH2-OD2 2.87Å; L328-D335 HydrophobicContact CD1-CB 4.18Å; D335-G337 PolarHBondContact OD1-N 3.16Å
336	D	96.1	Very high	89.6	Confident	49 Å²	49	79.3 Å²	79.3	26%	0.262	40%	0.402	S	S	.	.			trans	-102.2	5.8	176.2	54.6	11.8	0	0	0	113.7	K152 Q156 K334 Q338	K152-D336 VanDerWaalsContact CE-OD1 3.31Å; K152-D336 WeakPolarHBondContact CE-OD1 3.2Å; K152-D336 WeakPolarHBondContact CE-OD2 3.3Å; K152-D336 IonicContact NZ-OD1 2.66Å; K152-D336 PolarHBondContact NZ-OD1 2.94Å; K152-D336 IonicContact NZ-OD2 3.47Å; K152-D336 PolarHBondContact NZ-OD2 2.76Å; Q156-D336 PolarHBondContact NE2-OD1 3.29Å; K334-D336 VanDerWaalsContact C-N 3.32Å; K334-D336 HydrophobicContact CG-CB 4.04Å; K334-D336 PolarHBondContact O-N 2.86Å; D336-Q338 HydrophobicContact CB-CG 4.24Å; D336-Q338 PolarHBondContact O-N 3.16Å; D336-Q338 VanDerWaalsContact O-N 3.13Å; D336-Q338 PolarHBondContact O-NE2 3.29Å; D336-Q338 VanDerWaalsContact O-NE2 3.1Å; D336-Q338 PolarHBondContact OD1-N 2.9Å; D336-Q338 VanDerWaalsContact OD1-N 3.12Å
337	G	95.2	Very high	86.7	Confident	23 Å²	23	82.2 Å²	82.2	24%	0.237	42%	0.422	C	S	.	.			trans	59.2	8.6	-172	0	0	0	0	0	116.2	Q156 N191 D335	Q156-G337 VanDerWaalsContact NE2-N 3.16Å; N191-G337 WeakPolarHBondContact CB-O 3.4Å; D335-G337 PolarHBondContact OD1-N 3.16Å
338	Q	96.9	Very high	83.7	Confident	78 Å²	78	88.4 Å²	88.4	36%	0.364	46%	0.459	S	S	.	.			trans	-82.7	127.1	-174.9	-59.3	-53.2	-69.3	0	0	112.1	N191 D336 E340	N191-Q338 PolarHBondContact ND2-OE1 3.07Å; N191-Q338 WeakPolarHBondContact OD1-CA 3.46Å; N191-Q338 PolarHBondContact OD1-OE1 2.95Å; D336-Q338 HydrophobicContact CB-CG 4.24Å; D336-Q338 PolarHBondContact O-N 3.16Å; D336-Q338 VanDerWaalsContact O-N 3.13Å; D336-Q338 PolarHBondContact O-NE2 3.29Å; D336-Q338 VanDerWaalsContact O-NE2 3.1Å; D336-Q338 PolarHBondContact OD1-N 2.9Å; D336-Q338 VanDerWaalsContact OD1-N 3.12Å; Q338-E340 HydrophobicContact CB-CG 4.4Å
339	L	97	Very high	80.6	Confident	10 Å²	10	94 Å²	94	5%	0.052	49%	0.494	C	S	.	.			trans	-101.6	81.6	177.6	-57.9	-174.5	0	0	0	110.6	L153 Q156 L157 L185 N191 V193 F341	L153-L339 HydrophobicContact CD1-CB 3.91Å; L153-L339 HydrophobicContact CD1-CD2 3.89Å; L153-L339 HydrophobicContact CD1-CG 4.48Å; Q156-L339 HydrophobicContact CB-CD2 3.83Å; L157-L339 HydrophobicContact CD2-CD1 4.17Å; L157-L339 HydrophobicContact CD2-CD2 4.02Å; L157-L339 HydrophobicContact CG-CD2 4.34Å; L185-L339 HydrophobicContact CD2-CD1 3.94Å; N191-L339 VanDerWaalsContact O-CD1 3.31Å; N191-L339 WeakPolarHBondContact O-CD1 3.29Å; N191-L339 PolarHBondContact OD1-N 3.32Å; V193-L339 HydrophobicContact CB-CD1 4.17Å; V193-L339 HydrophobicContact CG1-CD1 4.5Å; L339-F341 HydrophobicContact CB-CE2 3.72Å; L339-F341 HydrophobicContact CB-CZ 4.14Å; L339-F341 WeakPolarHBondContact O-CD2 3.22Å; L339-F341 WeakPolarHBondContact O-CE2 3.09Å; L339-F341 PolarHBondContact O-N 2.84Å
340	E	95.7	Very high	77.6	Confident	95 Å²	95	93 Å²	93	44%	0.444	50%	0.502	S	S	.	.			trans	-87.2	98.6	-176.5	-69.7	169.1	-123	0	0	112.5	K152 Q338 T342	K152-E340 IonicContact NZ-OE1 3.72Å; K152-E340 PolarHBondContact NZ-OE1 3.2Å; Q338-E340 HydrophobicContact CB-CG 4.4Å; E340-T342 VanDerWaalsContact C-N 3.33Å; E340-T342 PolarHBondContact O-N 2.91Å; E340-T342 VanDerWaalsContact O-N 3.08Å
341	F	94.3	Very high	74.6	Confident	46 Å²	46	95.1 Å²	95.1	20%	0.202	51%	0.513	C	S	.	.			trans	-82.5	69.5	176.9	-60.8	-82.1	0	0	0	112	L138 K141 F149 L153 L185 L339	L138-F341 HydrophobicContact CD2-CE1 3.74Å; L138-F341 HydrophobicContact CD2-CZ 3.55Å; K141-F341 HydrophobicContact CB-CD1 3.65Å; K141-F341 HydrophobicContact CB-CE1 3.88Å; K141-F341 HydrophobicContact CB-CG 4.33Å; K141-F341 HydrophobicContact CD-CG 4.39Å; K141-F341 HydrophobicContact CG-CD1 3.96Å; K141-F341 HydrophobicContact CG-CE1 4.12Å; K141-F341 HydrophobicContact CG-CG 4.23Å; F149-F341 HydrophobicContact CD1-CD1 4.31Å; F149-F341 AromaticContact CE1-CD1 3.7Å; F149-F341 HydrophobicContact CE1-CD1 3.7Å; F149-F341 HydrophobicContact CE1-CE1 4.03Å; F149-F341 HydrophobicContact CZ-CD1 4.14Å; F149-F341 HydrophobicContact CZ-CE1 4.01Å; L153-F341 HydrophobicContact CD1-CD1 4.48Å; L153-F341 HydrophobicContact CD1-CE1 4.03Å; L153-F341 HydrophobicContact CD1-CZ 4.03Å; L153-F341 HydrophobicContact CD2-CD1 3.45Å; L153-F341 VanDerWaalsContact CD2-CD1 3.45Å; L153-F341 HydrophobicContact CD2-CE1 3.6Å; L153-F341 HydrophobicContact CD2-CG 4.15Å; L153-F341 HydrophobicContact CD2-CZ 4.39Å; L153-F341 HydrophobicContact CG-CE1 4.38Å; L185-F341 HydrophobicContact CD1-CD2 4.46Å; L185-F341 HydrophobicContact CD1-CE2 3.74Å; L185-F341 HydrophobicContact CD1-CZ 4.16Å; L185-F341 HydrophobicContact CD2-CE2 4.06Å; L185-F341 HydrophobicContact CD2-CZ 4.01Å; L185-F341 HydrophobicContact CG-CE2 4.49Å; L339-F341 HydrophobicContact CB-CE2 3.72Å; L339-F341 HydrophobicContact CB-CZ 4.14Å; L339-F341 WeakPolarHBondContact O-CD2 3.22Å; L339-F341 WeakPolarHBondContact O-CE2 3.09Å; L339-F341 PolarHBondContact O-N 2.84Å
342	T	90	Very high	71.7	Confident	78 Å²	78	96.9 Å²	96.9	48%	0.479	54%	0.536	S	S	.	.			trans	-92.8	141.1	176.4	56.7	0	0	0	0	111.9	P150 E340 V344	P150-T342 WeakPolarHBondContact CG-OG1 3.49Å; E340-T342 VanDerWaalsContact C-N 3.33Å; E340-T342 PolarHBondContact O-N 2.91Å; E340-T342 VanDerWaalsContact O-N 3.08Å; T342-V344 PolarHBondContact O-N 2.94Å
343	H	79.5	Confident	68.7	Low	116 Å²	116	97.4 Å²	97.4	54%	0.537	54%	0.535	S	S	.	.			trans	-66.4	125.9	174.9	-177.6	-73.5	0	0	0	110.3	S345	H343-S345 VanDerWaalsContact C-N 3.27Å; H343-S345 PolarHBondContact ND1-N 3.41Å; H343-S345 PolarHBondContact O-N 3.01Å
344	V	67.6	Low	65.6	Low	68 Å²	68	105.7 Å²	105.7	41%	0.412	57%	0.567	S	S	.	*			trans	-78.5	77.5	177.4	-170.6	0	0	0	0	109.6	K148 P150 T342 R346	K148-V344 HydrophobicContact CB-CB 4.47Å; K148-V344 HydrophobicContact CB-CG2 4.25Å; P150-V344 HydrophobicContact CG-CG2 4.14Å; T342-V344 PolarHBondContact O-N 2.94Å; V344-R346 PolarHBondContact O-N 3.29Å
345	S	54.1	Low	62.6	Low	87 Å²	87	105 Å²	105	61%	0.608	58%	0.575	S	S	*	*			trans	-60.9	124.6	166.9	50.7	0	0	0	0	109.1	H343 V347	H343-S345 VanDerWaalsContact C-N 3.27Å; H343-S345 PolarHBondContact ND1-N 3.41Å; H343-S345 PolarHBondContact O-N 3.01Å; S345-V347 PolarHBondContact O-N 3.07Å
346	R	44	Very low	59.4	Low	238 Å²	238	108.3 Å²	108.3	90%	0.898	60%	0.598	S	S	*	*			trans	-48.6	129.6	169.6	-75.2	-177.3	176.1	178.1	-1.6	108.5	V344 T348	V344-R346 PolarHBondContact O-N 3.29Å; R346-T348 VanDerWaalsContact C-N 3.34Å; R346-T348 PolarHBondContact O-N 2.79Å
347	V	36.1	Very low	56.3	Low	136 Å²	136	115.4 Å²	115.4	82%	0.824	63%	0.626	S	S	*	*			trans	-64.1	95.4	178.9	-179.1	0	0	0	0	108.9	S345	S345-V347 PolarHBondContact O-N 3.07Å
348	T	35.8	Very low	53.3	Low	131 Å²	131	126.2 Å²	126.2	80%	0.804	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-72.8	123.6	151.6	34	0	0	0	0	106.8	R346	R346-T348 VanDerWaalsContact C-N 3.34Å; R346-T348 PolarHBondContact O-N 2.79Å
349	T	32.8	Very low	50	Low	120 Å²	120	132.7 Å²	132.7	74%	0.736	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-55.1	139.4	177.7	31.1	0	0	0	0	110.4
350	P	35.2	Very low	46.8	Very low	113 Å²	113	142.1 Å²	142.1	73%	0.734	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-59.5	135.3	175.5	-20.3	31.4	0	0	0	109.6	A352	P350-A352 PolarHBondContact O-N 3.04Å
351	P	34.4	Very low	43.7	Very low	124 Å²	124	142.5 Å²	142.5	81%	0.805	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-60.4	129.6	172.9	25.5	-32.8	0	0	0	108.9	K353	P351-K353 PolarHBondContact O-N 2.65Å
352	A	35.7	Very low	40.7	Very low	94 Å²	94	145.3 Å²	145.3	78%	0.777	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-53.5	130	-176	0	0	0	0	0	111.2	P350 K354	P350-A352 PolarHBondContact O-N 3.04Å; A352-K354 PolarHBondContact O-N 2.9Å
353	K	34.3	Very low	37.8	Very low	205 Å²	205	149.1 Å²	149.1	89%	0.891	80%	0.795	S	S	*	*			trans	-57	110.9	176.8	-72.2	179.5	176.8	176.9	0	109.2	P351 V355	P351-K353 PolarHBondContact O-N 2.65Å; K353-V355 PolarHBondContact O-N 2.7Å; K353-V355 VanDerWaalsContact O-N 3.07Å
354	K	31.3	Very low	35.4	Very low	198 Å²	198	152.2 Å²	152.2	86%	0.861	81%	0.807	S	S	*	*			trans	-60.8	113.2	171	-82.2	-173.3	175.6	179.4	0	109	A352 T356	A352-K354 PolarHBondContact O-N 2.9Å; K354-T356 PolarHBondContact O-N 3.16Å
355	V	31.2	Very low	33.5	Very low	133 Å²	133	156.2 Å²	156.2	81%	0.806	83%	0.832	S	S	*	*			trans	-64.9	115.2	173.5	176.4	0	0	0	0	109	K353 K357	K353-V355 PolarHBondContact O-N 2.7Å; K353-V355 VanDerWaalsContact O-N 3.07Å; V355-K357 PolarHBondContact O-N 3.08Å; V355-K357 VanDerWaalsContact O-N 3.14Å
356	T	30.7	Very low	32.2	Very low	133 Å²	133	156 Å²	156	82%	0.816	84%	0.843	S	S	*	*			trans	-73.5	98.6	172.2	34.1	0	0	0	0	110	K354 R358	K354-T356 PolarHBondContact O-N 3.16Å; T356-R358 PolarHBondContact O-N 3.3Å; T356-R358 VanDerWaalsContact O-N 3.13Å
357	K	30.8	Very low	31.5	Very low	198 Å²	198	153.3 Å²	153.3	86%	0.861	84%	0.841	S	S	*	*			trans	-62.9	113	169.3	-82.5	-173.1	173.8	-178.3	0	109.8	V355 K359	V355-K357 PolarHBondContact O-N 3.08Å; V355-K357 VanDerWaalsContact O-N 3.14Å; K357-K359 PolarHBondContact O-N 3.46Å
358	R	31	Very low	31.2	Very low	250 Å²	250	152.7 Å²	152.7	94%	0.943	83%	0.833	S	S	*	*			trans	-57.9	123.4	163.1	-84	176.2	161.4	169.6	-7.3	109	T356	T356-R358 PolarHBondContact O-N 3.3Å; T356-R358 VanDerWaalsContact O-N 3.13Å
359	K	29.2	Very low	30.8	Very low	213 Å²	213	153.4 Å²	153.4	93%	0.926	83%	0.832	S	S	*	*			trans	-77.8	129.8	161.9	-84.6	-174.6	170.6	-175.2	0	108.8	K357	K357-K359 PolarHBondContact O-N 3.46Å
360	K	29.2	Very low	30.6	Very low	209 Å²	209	152.6 Å²	152.6	91%	0.909	84%	0.838	S	S	*	*			trans	-105.7	137.8	163.8	-150.5	-179.1	-175.5	-171.1	0	106.6
361	A	31.4	Very low	30.2	Very low	103 Å²	103	157 Å²	157	85%	0.851	85%	0.849	S	S	*	*			trans	-82	148.7	-175.1	0	0	0	0	0	112.2
362	A	30.1	Very low	29.9	Very low	104 Å²	104	155 Å²	155	86%	0.86	85%	0.851	S	S	*	*			trans	-154.8	121.9	159	0	0	0	0	0	110
363	D	29	Very low	29.5	Very low	158 Å²	158	155.6 Å²	155.6	85%	0.845	85%	0.849	S	S	*	*			trans	12.7	166.3	163.3	-114.7	-44.2	0	0	0	127.2
364	K	30	Very low	29.2	Very low	181 Å²	181	150.7 Å²	150.7	79%	0.787	84%	0.841	S	S	*	*			trans	-82.8	154.7	-176.5	-56.4	166.7	176.5	176.7	0	113.6
365	T	26.8	Very low	29.1	Very low	152 Å²	152	146.6 Å²	146.6	93%	0.933	83%	0.832	S	S	*	*				176	150.8	121.3	26.6	0	0	0	0	109.1
366	G	27.9	Very low	29	Very low	82 Å²	82	149 Å²	149	85%	0.845	83%	0.832	S	S	*	*			trans	135.8	115.7	173.8	0	0	0	0	0	113.8
367	E	28	Very low	28.8	Very low	182 Å²	182	151.7 Å²	151.7	85%	0.85	83%	0.832	S	S	*	*			trans	-105.1	172.3	-169.9	-108.5	172	152.7	0	0	114
368	N	30	Very low	28.6	Very low	124 Å²	124	153.8 Å²	153.8	66%	0.663	83%	0.834	S	S	*	*			trans	84.5	112.3	156.3	-63.3	-2.4	0	0	0	122.1
369	D	27.7	Very low	28.5	Very low	145 Å²	145	151.4 Å²	151.4	78%	0.775	83%	0.831	S	S	*	*				62.4	119	119.8	-50.9	-25	0	0	0	122.3
370	A	29.2	Very low	29	Very low	103 Å²	103	146.7 Å²	146.7	85%	0.851	82%	0.822	S	S	*	*				-176.8	154.8	100.1	0	0	0	0	0	112.5
371	E	26.7	Very low	29	Very low	206 Å²	206	141.6 Å²	141.6	96%	0.963	81%	0.813	S	S	*	*			trans	-82.6	166.2	-175.4	-57.3	177.2	110	0	0	114.8
372	G	27.6	Very low	28.8	Very low	83 Å²	83	146.6 Å²	146.6	86%	0.856	82%	0.815	S	S	*	*			trans	176.5	83.8	170.5	0	0	0	0	0	117.2
373	S	27.2	Very low	28.8	Very low	106 Å²	106	150.4 Å²	150.4	74%	0.741	82%	0.815	S	S	*	*			trans	-67.3	148.6	170.2	-175	0	0	0	0	111.9
374	S	28.6	Very low	28.8	Very low	102 Å²	102	151.1 Å²	151.1	71%	0.713	81%	0.811	S	S	*	*				173.5	130.2	81.5	-59.4	0	0	0	0	112
375	V	29.9	Very low	28.9	Very low	112 Å²	112	149.4 Å²	149.4	68%	0.679	81%	0.806	S	S	*	*				92.4	111.8	95	173.9	0	0	0	0	120
376	K	28.9	Very low	29.1	Very low	184 Å²	184	147.5 Å²	147.5	80%	0.8	79%	0.794	S	S	*	*			trans	50	131.5	141.5	-58.2	170.3	-168.4	166.8	0	124.5
377	K	26.7	Very low	29.1	Very low	188 Å²	188	151.2 Å²	151.2	82%	0.817	79%	0.794	S	S	*	*				166.5	119.9	108.3	-93.3	175.1	-176	171.9	0	111.4
378	R	26.3	Very low	29.1	Very low	242 Å²	242	145.8 Å²	145.8	91%	0.913	79%	0.787	S	S	*	*				94.5	126.7	85.7	-90.3	-168.6	171.5	-173.3	-2.4	116.1
379	K	28.3	Very low	28.9	Very low	201 Å²	201	150.4 Å²	150.4	87%	0.874	80%	0.801	S	S	*	*			trans	-62.8	177.5	165.5	-83.8	-175.1	176.5	-177.3	0	112.5
380	P	40.2	Very low	28.9	Very low	113 Å²	113	153.1 Å²	153.1	73%	0.734	81%	0.806	S	S	*	*			cis	-152.1	178.2	27.8	45.7	-24	0	0	0	121.6
381	S	28.2	Very low	28.7	Very low	103 Å²	103	157.7 Å²	157.7	72%	0.72	81%	0.81	S	S	*	*			trans	-18.9	160.9	159.5	60.4	0	0	0	0	123.6
382	K	27.4	Very low	28.8	Very low	207 Å²	207	153.4 Å²	153.4	90%	0.9	80%	0.802	S	S	*	*				-163	141.3	120.6	-108.4	172.1	-174.5	-178	0	114.6
383	E	30.2	Very low	28.6	Very low	185 Å²	185	155.6 Å²	155.6	86%	0.864	81%	0.805	S	S	*	*			trans	-105.9	169.7	162.6	-65.5	175.1	119.6	0	0	110.4
384	K	29.5	Very low	28.7	Very low	172 Å²	172	160.4 Å²	160.4	75%	0.748	81%	0.812	S	S	*	*			trans	175.6	123.9	134.2	-98.4	-178.8	177.9	-94.7	0	110.2
385	E	30.7	Very low	28.5	Very low	146 Å²	146	159.8 Å²	159.8	68%	0.682	81%	0.813	S	S	*	*				78.7	149.1	82.7	-82.1	-165.4	132.2	0	0	115.1
386	V	31.7	Very low	28.3	Very low	112 Å²	112	159 Å²	159	68%	0.679	82%	0.819	S	S	*	*			cis	-174.4	177.1	-26.3	113.4	0	0	0	0	109.6
387	N	29.3	Very low	29	Very low	160 Å²	160	155.9 Å²	155.9	86%	0.856	82%	0.817	S	S	*	*			trans	87.8	140.3	167.3	-74.7	-28	0	0	0	119.2
388	G	27.6	Very low	28.9	Very low	67 Å²	67	158.9 Å²	158.9	69%	0.691	82%	0.823	S	S	*	*			cis	133.7	130.1	-15.4	0	0	0	0	0	116.4
389	K	24.5	Very low	28.9	Very low	221 Å²	221	151.8 Å²	151.8	96%	0.961	82%	0.817	S	S	*	*			trans	-166.9	157.8	149.9	-116.4	176.3	-178.9	-177.3	0	113.3
390	K	28.1	Very low	29	Very low	202 Å²	202	154.4 Å²	154.4	88%	0.878	82%	0.821	S	S	*	*			trans	-116.8	159.5	-176.4	-76	175	170	175.4	0	111.1
391	E	25.7	Very low	28.4	Very low	200 Å²	200	158.5 Å²	158.5	94%	0.935	83%	0.827	S	S	*	*			trans	-157.9	168.7	135.9	-123.6	168.3	-149.9	0	0	112.4
392	S	27.8	Very low	28.3	Very low	116 Å²	116	157 Å²	157	81%	0.811	83%	0.828	S	S	*	*			trans	-158.7	143.5	-164	59.8	0	0	0	0	115.2
393	S	24.9	Very low	28.3	Very low	129 Å²	129	154.4 Å²	154.4	90%	0.902	82%	0.824	S	S	*	*			trans	-159.3	178.6	166.7	66.1	0	0	0	0	115.2
394	K	27.8	Very low	28.2	Very low	206 Å²	206	155.2 Å²	155.2	90%	0.896	83%	0.825	S	S	*	*			trans	-119.2	162.1	-157	-70.9	174.9	-177.7	175.3	0	113.1
395	A	25.4	Very low	28.1	Very low	90 Å²	90	156.4 Å²	156.4	74%	0.744	83%	0.83	S	S	*	*			cis	-173.4	163.9	-17.9	0	0	0	0	0	111.9
396	A	24.6	Very low	28.3	Very low	96 Å²	96	154.9 Å²	154.9	79%	0.793	84%	0.835	S	S	*	*			trans	69.8	172.8	159.6	0	0	0	0	0	118.7
397	P	44.1	Very low	28.6	Very low	117 Å²	117	159.1 Å²	159.1	76%	0.76	84%	0.844	S	S	*	*				-131.6	161.5	-94	38.1	-21.4	0	0	0	115.8
398	R	24.5	Very low	29.3	Very low	252 Å²	252	154.3 Å²	154.3	95%	0.951	82%	0.818	S	S	*	*			trans	-162	140.6	159.7	-117.7	162.9	-171.6	-170.1	1.5	118.1
399	A	25.8	Very low	30.3	Very low	93 Å²	93	154.4 Å²	154.4	77%	0.769	81%	0.806	S	S	*	*			trans	56	105.8	149.5	0	0	0	0	0	121.3
400	R	30.8	Very low	30.9	Very low	255 Å²	255	150 Å²	150	96%	0.962	79%	0.793	S	S	*	*			trans	-75	123.1	149.8	-74.6	178.1	172.2	174.1	-2.6	109.9
401	K	28.1	Very low	31.6	Very low	200 Å²	200	143.2 Å²	143.2	87%	0.87	77%	0.765	S	S	*	*			trans	-137.4	128.4	148.1	-88.8	-165.2	174.5	-173	0	108.4
402	G	25.6	Very low	31.8	Very low	72 Å²	72	137 Å²	137	74%	0.742	75%	0.748	S	S	*	*			trans	-155.4	66.3	-174.9	0	0	0	0	0	110.3	K404	G402-K404 PolarHBondContact O-N 2.82Å
403	D	26.9	Very low	32.1	Very low	152 Å²	152	133.4 Å²	133.4	81%	0.813	72%	0.721	S	S	*	*			trans	-63.7	105.4	170.4	-79.1	-55.9	0	0	0	109.5	K405	D403-K405 VanDerWaalsContact C-N 3.35Å; D403-K405 PolarHBondContact O-N 2.88Å
404	K	28.1	Very low	32.3	Very low	202 Å²	202	133.9 Å²	133.9	88%	0.878	71%	0.709	S	S	*	*			trans	-70.6	94.1	166.2	-77.1	-175.8	175.6	179.8	0	108.2	G402 S406	G402-K404 PolarHBondContact O-N 2.82Å; K404-S406 PolarHBondContact O-N 2.78Å
405	K	29.1	Very low	32.6	Very low	197 Å²	197	127.3 Å²	127.3	86%	0.857	69%	0.686	S	S	*	*			trans	-51.2	113.7	162.4	-81.2	-175.3	173	-178.4	0	108.7	D403 K407	D403-K405 VanDerWaalsContact C-N 3.35Å; D403-K405 PolarHBondContact O-N 2.88Å; K405-K407 PolarHBondContact O-N 2.68Å; K405-K407 VanDerWaalsContact O-N 3.14Å
406	S	34.7	Very low	32.7	Very low	114 Å²	114	127 Å²	127	80%	0.797	68%	0.678	S	S	*	*			trans	-61.4	112.7	167.8	50.1	0	0	0	0	108.3	K404 L408	K404-S406 PolarHBondContact O-N 2.78Å; S406-L408 PolarHBondContact O-N 3.38Å
407	K	37.1	Very low	32.8	Very low	200 Å²	200	128 Å²	128	87%	0.87	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-67.7	125	171.3	-73.3	-174.6	174.7	-176	0	108.2	K405	K405-K407 PolarHBondContact O-N 2.68Å; K405-K407 VanDerWaalsContact O-N 3.14Å
408	L	45	Very low	32.1	Very low	59 Å²	59	126.2 Å²	126.2	31%	0.309	68%	0.679	S	S	.	*	P	Polyproline II helix	trans	-57.2	142.1	165.7	-72.4	165.8	0	0	0	109.1	P42 S406	P42-L408 HydrophobicContact CB-CD2 3.77Å; P42-L408 HydrophobicContact CG-CD2 3.95Å; P42-L408 WeakPolarHBondContact O-CD2 3.31Å; S406-L408 PolarHBondContact O-N 3.38Å
409	V	47.1	Very low	32.4	Very low	70 Å²	70	120.6 Å²	120.6	42%	0.424	67%	0.668	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.4	116.8	171.6	-176.3	0	0	0	0	107.5	G44 K45 M411	G44-V409 WeakPolarHBondContact CA-O 3.49Å; K45-V409 PolarHBondContact N-O 2.76Å; V409-M411 PolarHBondContact O-N 2.9Å; V409-M411 VanDerWaalsContact O-N 3.16Å
410	D	38.5	Very low	32.6	Very low	129 Å²	129	120.9 Å²	120.9	69%	0.69	67%	0.67	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65.3	113.5	166.9	-75.7	-42.2	0	0	0	107.9	A412	D410-A412 PolarHBondContact O-N 3.24Å
411	M	43	Very low	32.8	Very low	58 Å²	58	116.9 Å²	116.9	29%	0.286	66%	0.655	S	S	.	*			trans	-81.1	106.7	169.4	-71.1	-162.1	74.5	0	0	107.1	K45 L51 L184 V409 T413	K45-M411 PolarHBondContact O-N 3.17Å; K45-M411 VanDerWaalsContact O-N 3.08Å; L51-M411 HydrophobicContact CD2-SD 4.39Å; L184-M411 HydrophobicContact CD2-CE 4.48Å; V409-M411 PolarHBondContact O-N 2.9Å; V409-M411 VanDerWaalsContact O-N 3.16Å; M411-T413 PolarHBondContact O-N 3.27Å
412	A	28.5	Very low	32.8	Very low	71 Å²	71	116.3 Å²	116.3	59%	0.587	66%	0.655	S	S	*	*			trans	-70.7	72	-176.3	0	0	0	0	0	112	D410 Q414	D410-A412 PolarHBondContact O-N 3.24Å; A412-Q414 PolarHBondContact O-N 2.84Å
413	T	35	Very low	33.1	Very low	40 Å²	40	119.1 Å²	119.1	25%	0.245	66%	0.658	C	S	.	*			trans	-66.4	84.3	158.5	54	0	0	0	0	107.6	G47 M411 T415	G47-T413 PolarHBondContact N-OG1 2.91Å; G47-T413 VanDerWaalsContact N-OG1 3.16Å; M411-T413 PolarHBondContact O-N 3.27Å; T413-T415 PolarHBondContact O-N 3.31Å
414	Q	29.5	Very low	33.4	Very low	138 Å²	138	123.6 Å²	123.6	65%	0.645	66%	0.664	S	S	*	*			trans	-70.3	66.6	166.3	-69	-165.1	13	0	0	109.5	A412 S416	A412-Q414 PolarHBondContact O-N 2.84Å; Q414-S416 VanDerWaalsContact C-N 3.3Å; Q414-S416 PolarHBondContact O-N 3.33Å; Q414-S416 VanDerWaalsContact O-N 3.14Å
415	T	32.6	Very low	33.5	Very low	68 Å²	68	117.7 Å²	117.7	42%	0.417	66%	0.661	S	S	.	*			trans	-72.7	95	153.8	54.8	0	0	0	0	106.1	F48 T413 P417	F48-T415 HydrophobicContact CE2-CG2 4.03Å; F48-T415 HydrophobicContact CZ-CG2 4.15Å; T413-T415 PolarHBondContact O-N 3.31Å; T415-P417 WeakPolarHBondContact O-CD 3.45Å; T415-P417 VanDerWaalsContact O-N 3.15Å
416	S	27.8	Very low	33.6	Very low	83 Å²	83	120.1 Å²	120.1	58%	0.58	67%	0.665	S	S	*	*			trans	-48.2	121.9	169.7	-70.6	0	0	0	0	108.9	Q414 G418	Q414-S416 VanDerWaalsContact C-N 3.3Å; Q414-S416 PolarHBondContact O-N 3.33Å; Q414-S416 VanDerWaalsContact O-N 3.14Å; S416-G418 PolarHBondContact O-N 3.09Å
417	P	26.4	Very low	33.5	Very low	119 Å²	119	124 Å²	124	77%	0.773	67%	0.667	S	S	*	*			trans	-60.4	117.9	176.6	-21.4	32.5	0	0	0	108.4	T415 L419	T415-P417 WeakPolarHBondContact O-CD 3.45Å; T415-P417 VanDerWaalsContact O-N 3.15Å; P417-L419 PolarHBondContact O-N 3.41Å
418	G	29.6	Very low	33.3	Very low	78 Å²	78	123 Å²	123	80%	0.804	66%	0.663	S	S	*	*			trans	-51.1	114.2	178.5	0	0	0	0	0	110.1	S416 A420	S416-G418 PolarHBondContact O-N 3.09Å; G418-A420 PolarHBondContact O-N 3.44Å
419	L	31.6	Very low	32.9	Very low	134 Å²	134	126.8 Å²	126.8	70%	0.702	69%	0.688	S	S	*	*			trans	-54.6	128	-171.6	-88.1	155.4	0	0	0	110.7	P417 R421	P417-L419 PolarHBondContact O-N 3.41Å; L419-R421 PolarHBondContact O-N 3.41Å
420	A	28.6	Very low	32.4	Very low	99 Å²	99	128.9 Å²	128.9	82%	0.818	70%	0.697	S	S	*	*			trans	-61	112.4	179.7	0	0	0	0	0	110	G418 Q422	G418-A420 PolarHBondContact O-N 3.44Å; A420-Q422 PolarHBondContact O-N 3.17Å
421	R	35.9	Very low	32.2	Very low	171 Å²	171	132.1 Å²	132.1	65%	0.645	73%	0.729	S	S	*	*			trans	-64.5	124.6	-174.3	-68.7	-177.9	175.9	-164.9	-5	111.7	P217 L419	P217-R421 PolarHBondContact O-NH1 3.38Å; P217-R421 VanDerWaalsContact O-NH1 3.16Å; P217-R421 PolarHBondContact O-NH2 2.73Å; L419-R421 PolarHBondContact O-N 3.41Å
422	Q	28.5	Very low	31.7	Very low	188 Å²	188	135.9 Å²	135.9	88%	0.879	75%	0.752	S	S	*	*			trans	-81.8	115.8	152.6	-73	-172	-5	0	0	109	A420 R424	A420-Q422 PolarHBondContact O-N 3.17Å; Q422-R424 PolarHBondContact O-N 3.35Å
423	T	31.2	Very low	31.8	Very low	132 Å²	132	139.3 Å²	139.3	81%	0.81	76%	0.76	S	S	*	*			trans	-80.9	109	175	45.9	0	0	0	0	110.7
424	R	33.8	Very low	31.6	Very low	245 Å²	245	144.8 Å²	144.8	93%	0.925	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-75.7	128.1	164.8	-77.8	-174.8	172.4	-179.2	-2	109.7	Q422	Q422-R424 PolarHBondContact O-N 3.35Å
425	G	30.6	Very low	31.8	Very low	79 Å²	79	145.2 Å²	145.2	81%	0.814	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-69.3	139.5	-177.1	0	0	0	0	0	113
426	R	30.5	Very low	31.7	Very low	248 Å²	248	150 Å²	150	94%	0.936	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-81.3	124.1	172.2	-162.6	174.2	-171.2	168.7	1.6	108.3	K428	R426-K428 PolarHBondContact O-N 2.85Å
427	K	32.9	Very low	32	Very low	196 Å²	196	154.5 Å²	154.5	85%	0.852	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-61.4	131.4	168.6	-75.4	-174.8	175.3	-176.6	0	108.4
428	K	32.3	Very low	32.4	Very low	179 Å²	179	157 Å²	157	78%	0.778	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-68.4	135.7	158.5	-84	-174.1	149.6	-128.8	0	108.2	R426 D430	R426-K428 PolarHBondContact O-N 2.85Å; K428-D430 IonicContact NZ-OD2 2.85Å; K428-D430 PolarHBondContact NZ-OD2 3.41Å
429	V	37	Very low	32.6	Very low	137 Å²	137	163.1 Å²	163.1	83%	0.83	85%	0.845	S	S	*	*			trans	-110.5	112.2	155.1	178	0	0	0	0	103.8
430	D	36.8	Very low	32.7	Very low	115 Å²	115	165.5 Å²	165.5	62%	0.615	86%	0.857	S	S	*	*			trans	-130.1	146.2	162.4	-71.8	-49	0	0	0	104.5	K428	K428-D430 IonicContact NZ-OD2 2.85Å; K428-D430 PolarHBondContact NZ-OD2 3.41Å
431	S	33.9	Very low	33	Very low	197 Å²	197	171.5 Å²	171.5	100%	1.378	86%	0.86	S	S	*	*			trans	-54.5	0	-174.8	53.7	0	0	0	0	115.1

Retrieved 431 of 431 residues in 770.5 ms (Link to these results)

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