A0A077Z5U2_TRITR Loading...

Malic enzyme

AlphaFold DB , UniProt , Accession A0A077Z5U2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 567 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	29.5	Very low	42.2	Very low	243 Å²	243	151.2 Å²	151.2	100%	1.197	76%	0.755	S	S	*	*				0	97.4	0	-72.2	176.2	-172.2	0	0	106.5	H3	M1-H3 PolarHBondContact O-N 3.27Å
2	L	30.8	Very low	45.5	Very low	174 Å²	174	143.3 Å²	143.3	91%	0.911	72%	0.721	S	S	*	*			trans	-66.6	122.3	173.7	-76.5	159	0	0	0	106.4	E4	L2-E4 PolarHBondContact O-N 2.87Å
3	H	27.3	Very low	48.4	Very low	182 Å²	182	142 Å²	142	84%	0.843	71%	0.711	S	S	*	*			trans	-53.8	105.4	168.7	-91.9	-74.7	0	0	0	107.8	M1 S5	M1-H3 PolarHBondContact O-N 3.27Å; H3-S5 PolarHBondContact O-N 2.87Å
4	E	28.4	Very low	51.2	Low	192 Å²	192	132.3 Å²	132.3	90%	0.897	66%	0.663	S	S	*	*			trans	-60.2	81.9	148	-77	-177.8	154.3	0	0	105.9	L2 S6	L2-E4 PolarHBondContact O-N 2.87Å; E4-S6 VanDerWaalsContact C-N 3.34Å; E4-S6 PolarHBondContact O-N 3.23Å
5	S	32.3	Very low	53.6	Low	98 Å²	98	137.2 Å²	137.2	69%	0.685	67%	0.67	S	S	*	*			trans	-63.5	110.8	157.8	63	0	0	0	0	104.5	H3 S7	H3-S5 PolarHBondContact O-N 2.87Å; S5-S7 PolarHBondContact O-N 3.42Å
6	S	33.4	Very low	56	Low	107 Å²	107	130.9 Å²	130.9	75%	0.748	64%	0.644	S	S	*	*			trans	-64.1	72.2	169.3	63.7	0	0	0	0	108.6	E4 R8	E4-S6 VanDerWaalsContact C-N 3.34Å; E4-S6 PolarHBondContact O-N 3.23Å; S6-R8 PolarHBondContact O-N 3.34Å
7	S	40.6	Very low	58.2	Low	88 Å²	88	130.7 Å²	130.7	62%	0.615	64%	0.635	S	S	*	*			trans	-70.9	69.3	156.3	157.8	0	0	0	0	106.1	S5 S9	S5-S7 PolarHBondContact O-N 3.42Å; S7-S9 VanDerWaalsContact C-N 3.33Å; S7-S9 PolarHBondContact O-N 2.91Å
8	R	42.3	Very low	60.3	Low	219 Å²	219	124.5 Å²	124.5	83%	0.826	61%	0.61	S	S	*	*			trans	-57.9	111.1	153.5	-78.9	-175.6	178	-179.6	0.2	104.1	S6 R10	S6-R8 PolarHBondContact O-N 3.34Å; R8-R10 VanDerWaalsContact C-N 3.28Å; R8-R10 PolarHBondContact O-N 3.23Å
9	S	53.3	Low	62.2	Low	53 Å²	53	125.7 Å²	125.7	37%	0.371	61%	0.608	S	S	.	*			trans	-50.2	99.7	172.5	175.1	0	0	0	0	107	S7 F11 N555	S7-S9 VanDerWaalsContact C-N 3.33Å; S7-S9 PolarHBondContact O-N 2.91Å; S9-F11 PolarHBondContact O-N 3.46Å; S9-N555 VanDerWaalsContact OG-CB 3.22Å; S9-N555 WeakPolarHBondContact OG-CB 3.32Å; S9-N555 PolarHBondContact OG-N 3.1Å
10	R	65.8	Low	63.9	Low	221 Å²	221	124.7 Å²	124.7	83%	0.834	61%	0.605	S	S	*	*			trans	-62.5	133.5	178.4	-79.4	-176.9	178	173.7	0.1	105.6	R8 V12	R8-R10 VanDerWaalsContact C-N 3.28Å; R8-R10 PolarHBondContact O-N 3.23Å; R10-V12 PolarHBondContact O-N 3Å
11	F	80.9	Confident	65.5	Low	86 Å²	86	118.7 Å²	118.7	38%	0.377	58%	0.576	S	S	.	*	B	Isolated β-bridge	trans	-49.5	128.2	171.4	165.7	-105.2	0	0	0	109.1	S9 E13 N555 F557 P558 D559	S9-F11 PolarHBondContact O-N 3.46Å; F11-E13 HydrophobicContact CE1-CB 4.35Å; F11-E13 HydrophobicContact CZ-CB 4.49Å; F11-N555 WeakPolarHBondContact CA-O 3.26Å; F11-F557 WeakPolarHBondContact CD2-O 3.08Å; F11-P558 HydrophobicContact CE2-CB 4.45Å; F11-P558 HydrophobicContact CE2-CG 4.36Å; F11-D559 HydrophobicContact CB-CB 4.25Å
12	V	81.8	Confident	68.7	Low	57 Å²	57	108 Å²	108	35%	0.345	52%	0.524	S	S	.	.			trans	-108.7	128.6	172.9	177.9	0	0	0	0	107.2	R10 C14 D554 N555 Y556	R10-V12 PolarHBondContact O-N 3Å; V12-C14 PolarHBondContact O-N 3.29Å; V12-C14 VanDerWaalsContact O-N 3.09Å; V12-D554 HydrophobicContact CB-CB 4Å; V12-D554 HydrophobicContact CG2-CB 3.69Å; V12-N555 PolarHBondContact N-O 3.42Å; V12-Y556 HydrophobicContact CB-CD1 4.36Å; V12-Y556 HydrophobicContact CB-CE1 4.13Å; V12-Y556 HydrophobicContact CG1-CE1 4.24Å; V12-Y556 WeakPolarHBondContact O-CD1 3.49Å
13	E	83.7	Confident	71.8	Confident	126 Å²	126	103.9 Å²	103.9	59%	0.589	50%	0.5	S	S	*	.			trans	-66.1	112.9	176.6	-171.7	-170.7	-163.1	0	0	109.6	F11 R15	F11-E13 HydrophobicContact CE1-CB 4.35Å; F11-E13 HydrophobicContact CZ-CB 4.49Å; E13-R15 HydrophobicContact CG-CG 4.46Å; E13-R15 IonicContact OE2-NE 3.77Å; E13-R15 IonicContact OE2-NH2 2.72Å
14	C	86.9	Confident	75	Confident	6 Å²	6	97.8 Å²	97.8	4%	0.041	47%	0.473	C	S	.	.			trans	-92	124.7	164	-179.5	0	0	0	0	108.1	V12 R17 L41 Y556	V12-C14 PolarHBondContact O-N 3.29Å; V12-C14 VanDerWaalsContact O-N 3.09Å; C14-R17 PolarHBondContact O-NH1 3.47Å; C14-R17 PolarHBondContact O-NH2 3.06Å; C14-L41 HydrophobicContact CB-CD2 4.26Å; C14-Y556 HydrophobicContact CB-CD1 3.71Å; C14-Y556 HydrophobicContact CB-CE1 4.17Å; C14-Y556 HydrophobicContact CB-CG 4.07Å
15	R	87.6	Confident	78.2	Confident	206 Å²	206	90.1 Å²	90.1	78%	0.777	44%	0.441	S	S	*	.			trans	-87.6	-25.1	177.2	-67.6	-174.2	178.6	-179.9	1	113.2	E13	E13-R15 HydrophobicContact CG-CG 4.46Å; E13-R15 IonicContact OE2-NE 3.77Å; E13-R15 IonicContact OE2-NH2 2.72Å
16	S	91.2	Very high	81.1	Confident	36 Å²	36	89 Å²	89	25%	0.252	42%	0.421	S	S	.	.			trans	-72.7	148.1	178.2	-52.5	0	0	0	0	111.3	V21	S16-V21 VanDerWaalsContact O-CG2 3.22Å; S16-V21 WeakPolarHBondContact O-CG2 3.45Å
17	R	94.2	Very high	84	Confident	128 Å²	128	84.8 Å²	84.8	48%	0.483	39%	0.391	S	S	.	.			trans	-136.9	158.3	176	-68.7	-67.8	179.8	-79.1	-4.4	110.3	C14	C14-R17 PolarHBondContact O-NH1 3.47Å; C14-R17 PolarHBondContact O-NH2 3.06Å
18	G	95.9	Very high	86.7	Confident	19 Å²	19	81.1 Å²	81.1	20%	0.196	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-140.3	177.8	0	0	0	0	0	112.5	D20 V21 L41 G42 I43	G18-D20 PolarHBondContact O-N 3.23Å; G18-V21 WeakPolarHBondContact O-CB 3.44Å; G18-V21 PolarHBondContact O-N 2.75Å; G18-L41 PolarHBondContact N-O 3.01Å; G18-G42 WeakPolarHBondContact CA-O 3.18Å; G18-I43 WeakPolarHBondContact O-CG2 3.43Å
19	W	96.5	Very high	89.4	Confident	148 Å²	148	70.9 Å²	70.9	56%	0.561	33%	0.326	S	S	*	.	H	α-helix	trans	-55.1	-35.5	-175.4	-177.4	-111.1	0	0	0	113.9	V21 L22 Q23 L46	W19-V21 PolarHBondContact O-N 3.03Å; W19-L22 HydrophobicContact CE3-CD1 4.13Å; W19-L22 HydrophobicContact CZ3-CD1 4.19Å; W19-L22 WeakPolarHBondContact O-CB 3.26Å; W19-L22 PolarHBondContact O-N 3.12Å; W19-Q23 HydrophobicContact CG-CG 4.45Å; W19-Q23 PolarHBondContact O-N 3.41Å; W19-L46 HydrophobicContact CE3-CD1 4.32Å
20	D	96.6	Very high	91.5	Very high	104 Å²	104	69 Å²	69	56%	0.556	32%	0.315	S	S	*	.	H	α-helix	trans	-62.5	-30	-176.7	-64	-20.1	0	0	0	112.7	G18 L22 Q23 D24	G18-D20 PolarHBondContact O-N 3.23Å; D20-L22 PolarHBondContact O-N 3.19Å; D20-Q23 PolarHBondContact O-N 3.21Å; D20-D24 PolarHBondContact O-N 3.47Å; D20-D24 VanDerWaalsContact O-N 3.13Å
21	V	96.5	Very high	93	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-35.2	173.6	176.3	0	0	0	0	111.4	S16 G18 W19 Q23 V27 N28 F33 L41 I43	S16-V21 VanDerWaalsContact O-CG2 3.22Å; S16-V21 WeakPolarHBondContact O-CG2 3.45Å; G18-V21 WeakPolarHBondContact O-CB 3.44Å; G18-V21 PolarHBondContact O-N 2.75Å; W19-V21 PolarHBondContact O-N 3.03Å; V21-Q23 VanDerWaalsContact C-N 3.34Å; V21-V27 HydrophobicContact CG1-CG2 4.16Å; V21-V27 WeakPolarHBondContact O-CG2 3.27Å; V21-N28 WeakPolarHBondContact O-CB 3.33Å; V21-F33 HydrophobicContact CG1-CE1 4.29Å; V21-F33 HydrophobicContact CG1-CE2 4.24Å; V21-F33 HydrophobicContact CG1-CZ 3.6Å; V21-L41 HydrophobicContact CG1-CD1 4.2Å; V21-I43 HydrophobicContact CB-CG2 4.19Å; V21-I43 HydrophobicContact CG1-CD1 4.43Å
22	L	96.9	Very high	93.9	Very high	19 Å²	19	55.9 Å²	55.9	10%	0.099	27%	0.268	C	S	.	.	H	α-helix	trans	-82.1	-17	-178.9	-56.9	-177.2	0	0	0	112.4	W19 D20 N28 F33 I43 L46 L47	W19-L22 HydrophobicContact CE3-CD1 4.13Å; W19-L22 HydrophobicContact CZ3-CD1 4.19Å; W19-L22 WeakPolarHBondContact O-CB 3.26Å; W19-L22 PolarHBondContact O-N 3.12Å; D20-L22 PolarHBondContact O-N 3.19Å; L22-N28 PolarHBondContact O-ND2 3.31Å; L22-F33 HydrophobicContact CD2-CD2 4.44Å; L22-F33 HydrophobicContact CD2-CE2 3.94Å; L22-I43 HydrophobicContact CD2-CD1 4.06Å; L22-I43 HydrophobicContact CD2-CG2 4.44Å; L22-I43 HydrophobicContact CG-CG2 4.23Å; L22-L46 HydrophobicContact CD1-CB 3.8Å; L22-L46 HydrophobicContact CD1-CD1 4.14Å; L22-L47 HydrophobicContact CD1-CD2 4.32Å; L22-L47 HydrophobicContact CD1-CG 4.37Å; L22-L47 HydrophobicContact CD2-CD1 4.09Å; L22-L47 HydrophobicContact CD2-CD2 4.24Å; L22-L47 HydrophobicContact CD2-CG 4.33Å
23	Q	95.5	Very high	94.6	Very high	87 Å²	87	53.1 Å²	53.1	41%	0.407	25%	0.252	S	S	.	.	H	α-helix	trans	-90.5	-26.6	179.4	-64.4	-53.5	-54.5	0	0	113.4	W19 D20 V21 P25	W19-Q23 HydrophobicContact CG-CG 4.45Å; W19-Q23 PolarHBondContact O-N 3.41Å; D20-Q23 PolarHBondContact O-N 3.21Å; V21-Q23 VanDerWaalsContact C-N 3.34Å; Q23-P25 WeakPolarHBondContact O-CD 3.43Å
24	D	94.5	Very high	95.3	Very high	53 Å²	53	49 Å²	49	28%	0.283	24%	0.237	S	C	.	.			trans	-85.2	111.2	176.8	176.2	-1.4	0	0	0	110.7	D20 R26 V27 N28	D20-D24 PolarHBondContact O-N 3.47Å; D20-D24 VanDerWaalsContact O-N 3.13Å; D24-R26 PolarHBondContact O-N 2.87Å; D24-R26 VanDerWaalsContact O-N 3.13Å; D24-R26 WeakPolarHBondContact OD1-CB 3.43Å; D24-R26 PolarHBondContact OD1-N 2.9Å; D24-V27 HydrophobicContact CB-CG2 3.74Å; D24-V27 PolarHBondContact O-N 2.89Å; D24-N28 WeakPolarHBondContact O-CB 3.29Å; D24-N28 PolarHBondContact O-N 3.34Å
25	P	95.4	Very high	95.8	Very high	32 Å²	32	52 Å²	52	21%	0.208	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19	-176.5	26.1	-34.4	0	0	0	114.3	Q23 Q82 N85 E86	Q23-P25 WeakPolarHBondContact O-CD 3.43Å; P25-Q82 WeakPolarHBondContact CB-O 3.48Å; P25-N85 WeakPolarHBondContact O-CA 3.35Å; P25-E86 HydrophobicContact CB-CB 4.46Å; P25-E86 WeakPolarHBondContact O-CB 3.38Å; P25-E86 PolarHBondContact O-N 3.28Å
26	R	93.7	Very high	96.2	Very high	73 Å²	73	48.5 Å²	48.5	28%	0.275	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-35.4	-179.7	-66	-178.3	177.6	166.2	17.5	112.6	D24 E86 E147	D24-R26 PolarHBondContact O-N 2.87Å; D24-R26 VanDerWaalsContact O-N 3.13Å; D24-R26 WeakPolarHBondContact OD1-CB 3.43Å; D24-R26 PolarHBondContact OD1-N 2.9Å; R26-E86 IonicContact NE-OE2 3.37Å; R26-E147 VanDerWaalsContact CZ-CD 3.4Å; R26-E147 IonicContact CZ-OE1 3.85Å; R26-E147 IonicContact CZ-OE2 2.68Å; R26-E147 IonicContact NH1-OE1 2.98Å; R26-E147 PolarHBondContact NH1-OE1 3.03Å; R26-E147 IonicContact NH1-OE2 3.17Å; R26-E147 PolarHBondContact NH1-OE2 2.96Å; R26-E147 IonicContact NH2-OE1 3.67Å; R26-E147 PolarHBondContact NH2-OE1 3.36Å; R26-E147 IonicContact NH2-OE2 3.64Å
27	V	94.8	Very high	96.4	Very high	20 Å²	20	47.2 Å²	47.2	12%	0.121	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-25.1	179.7	-58.1	0	0	0	0	112.4	V21 D24 K29 F33 Y556	V21-V27 HydrophobicContact CG1-CG2 4.16Å; V21-V27 WeakPolarHBondContact O-CG2 3.27Å; D24-V27 HydrophobicContact CB-CG2 3.74Å; D24-V27 PolarHBondContact O-N 2.89Å; V27-K29 PolarHBondContact O-N 3.36Å; V27-F33 VanDerWaalsContact O-CZ 3.26Å; V27-F33 WeakPolarHBondContact O-CZ 3.49Å; V27-Y556 WeakPolarHBondContact CA-OH 3.49Å; V27-Y556 HydrophobicContact CB-CE2 4.19Å; V27-Y556 VanDerWaalsContact O-CE2 3.28Å; V27-Y556 WeakPolarHBondContact O-CE2 3.39Å
28	N	97.5	Very high	96.6	Very high	11 Å²	11	41.3 Å²	41.3	6%	0.059	21%	0.21	C	C	.	.			trans	-66.2	117.9	-177.8	-174.9	22.6	0	0	0	112.4	V21 L22 D24 G30 R84 N85	V21-N28 WeakPolarHBondContact O-CB 3.33Å; L22-N28 PolarHBondContact O-ND2 3.31Å; D24-N28 WeakPolarHBondContact O-CB 3.29Å; D24-N28 PolarHBondContact O-N 3.34Å; N28-G30 WeakPolarHBondContact OD1-CA 3.31Å; N28-G30 PolarHBondContact OD1-N 2.78Å; N28-R84 WeakPolarHBondContact CB-O 3.38Å; N28-R84 PolarHBondContact ND2-O 3.34Å; N28-N85 PolarHBondContact O-ND2 2.72Å; N28-N85 VanDerWaalsContact O-ND2 3.15Å; N28-N85 PolarHBondContact O-OD1 2.95Å
29	K	98	Very high	96.6	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.017	23%	0.227	C	C	.	.			trans	-98.5	-2.4	171.4	-49.6	-175.9	-168.6	168.9	0	113.1	V27 T31 A32 F33 E37 Q57 Y553 D554 Y556	V27-K29 PolarHBondContact O-N 3.36Å; K29-T31 PolarHBondContact O-N 3.06Å; K29-A32 HydrophobicContact CB-CB 4.14Å; K29-A32 WeakPolarHBondContact O-CB 3.34Å; K29-A32 PolarHBondContact O-N 3.32Å; K29-F33 HydrophobicContact CB-CD1 4.09Å; K29-F33 HydrophobicContact CB-CD2 3.92Å; K29-F33 HydrophobicContact CB-CE1 4.13Å; K29-F33 HydrophobicContact CB-CE2 3.94Å; K29-F33 HydrophobicContact CB-CG 3.98Å; K29-F33 HydrophobicContact CB-CZ 4.05Å; K29-F33 HydrophobicContact CD-CD1 3.84Å; K29-F33 HydrophobicContact CD-CE1 3.92Å; K29-F33 HydrophobicContact CD-CG 4.45Å; K29-F33 HydrophobicContact CG-CD1 4.01Å; K29-F33 HydrophobicContact CG-CE1 3.75Å; K29-F33 HydrophobicContact CG-CE2 4.32Å; K29-F33 HydrophobicContact CG-CG 4.41Å; K29-F33 HydrophobicContact CG-CZ 3.91Å; K29-F33 VanDerWaalsContact N-CZ 3.35Å; K29-E37 IonicContact NZ-OE1 3.62Å; K29-E37 PolarHBondContact NZ-OE1 2.83Å; K29-E37 IonicContact NZ-OE2 3.71Å; K29-Q57 PolarHBondContact O-NE2 3.24Å; K29-Q57 PolarHBondContact O-OE1 3.35Å; K29-Y553 HydrophobicContact CB-CD1 4.11Å; K29-Y553 HydrophobicContact CB-CD2 4.36Å; K29-Y553 HydrophobicContact CB-CE1 3.88Å; K29-Y553 HydrophobicContact CB-CE2 4.2Å; K29-Y553 HydrophobicContact CB-CG 4.36Å; K29-Y553 HydrophobicContact CD-CD1 3.97Å; K29-Y553 HydrophobicContact CD-CD2 4.18Å; K29-Y553 HydrophobicContact CD-CG 3.76Å; K29-Y553 HydrophobicContact CG-CD1 3.6Å; K29-Y553 HydrophobicContact CG-CD2 4.37Å; K29-Y553 HydrophobicContact CG-CE1 3.83Å; K29-Y553 HydrophobicContact CG-CG 3.9Å; K29-D554 WeakPolarHBondContact CE-O 3.31Å; K29-D554 PolarHBondContact NZ-O 3.28Å; K29-Y556 HydrophobicContact CD-CD2 4.48Å; K29-Y556 HydrophobicContact CD-CE2 4.34Å; K29-Y556 HydrophobicContact CG-CE2 4.37Å
30	G	97.7	Very high	96.5	Very high	14 Å²	14	41.1 Å²	41.1	14%	0.144	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	51.1	-127.8	-171.4	0	0	0	0	0	111.8	N28 A32 F33 L47	N28-G30 WeakPolarHBondContact OD1-CA 3.31Å; N28-G30 PolarHBondContact OD1-N 2.78Å; G30-A32 PolarHBondContact O-N 2.97Å; G30-F33 VanDerWaalsContact O-CD2 3.23Å; G30-F33 WeakPolarHBondContact O-CD2 3.44Å; G30-F33 PolarHBondContact O-N 2.72Å; G30-L47 WeakPolarHBondContact O-CD1 3.38Å
31	T	97.9	Very high	96.5	Very high	15 Å²	15	36.3 Å²	36.3	9%	0.092	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-67.8	-4.9	-179.1	53.7	0	0	0	0	115	K29 R38 V51 L52 Q57	K29-T31 PolarHBondContact O-N 3.06Å; T31-R38 PolarHBondContact O-NH2 3.2Å; T31-V51 WeakPolarHBondContact O-CA 3.47Å; T31-L52 PolarHBondContact O-N 3.32Å; T31-L52 WeakPolarHBondContact OG1-CD1 3.29Å; T31-Q57 PolarHBondContact OG1-NE2 2.8Å
32	A	98.2	Very high	96.5	Very high	15 Å²	15	38.7 Å²	38.7	12%	0.124	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-88.3	-5.7	177.4	0	0	0	0	0	114.3	K29 G30 S34 L52 Q57 Y553	K29-A32 HydrophobicContact CB-CB 4.14Å; K29-A32 WeakPolarHBondContact O-CB 3.34Å; K29-A32 PolarHBondContact O-N 3.32Å; G30-A32 PolarHBondContact O-N 2.97Å; A32-S34 PolarHBondContact O-N 3.35Å; A32-L52 VanDerWaalsContact CA-O 3.24Å; A32-L52 WeakPolarHBondContact CA-O 3.45Å; A32-L52 WeakPolarHBondContact CB-O 3.5Å; A32-Q57 VanDerWaalsContact CB-OE1 3.3Å; A32-Y553 HydrophobicContact CB-CD2 3.94Å; A32-Y553 HydrophobicContact CB-CE2 3.4Å
33	F	97.9	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-59.9	124.9	166.5	-74.4	-69	0	0	0	110	V21 L22 V27 K29 G30 E37 R38 L41 I43 L47 Y556	V21-F33 HydrophobicContact CG1-CE1 4.29Å; V21-F33 HydrophobicContact CG1-CE2 4.24Å; V21-F33 HydrophobicContact CG1-CZ 3.6Å; L22-F33 HydrophobicContact CD2-CD2 4.44Å; L22-F33 HydrophobicContact CD2-CE2 3.94Å; V27-F33 VanDerWaalsContact O-CZ 3.26Å; V27-F33 WeakPolarHBondContact O-CZ 3.49Å; K29-F33 HydrophobicContact CB-CD1 4.09Å; K29-F33 HydrophobicContact CB-CD2 3.92Å; K29-F33 HydrophobicContact CB-CE1 4.13Å; K29-F33 HydrophobicContact CB-CE2 3.94Å; K29-F33 HydrophobicContact CB-CG 3.98Å; K29-F33 HydrophobicContact CB-CZ 4.05Å; K29-F33 HydrophobicContact CD-CD1 3.84Å; K29-F33 HydrophobicContact CD-CE1 3.92Å; K29-F33 HydrophobicContact CD-CG 4.45Å; K29-F33 HydrophobicContact CG-CD1 4.01Å; K29-F33 HydrophobicContact CG-CE1 3.75Å; K29-F33 HydrophobicContact CG-CE2 4.32Å; K29-F33 HydrophobicContact CG-CG 4.41Å; K29-F33 HydrophobicContact CG-CZ 3.91Å; K29-F33 VanDerWaalsContact N-CZ 3.35Å; G30-F33 VanDerWaalsContact O-CD2 3.23Å; G30-F33 WeakPolarHBondContact O-CD2 3.44Å; G30-F33 PolarHBondContact O-N 2.72Å; F33-E37 HydrophobicContact CD1-CB 4.12Å; F33-R38 HydrophobicContact CB-CG 3.7Å; F33-R38 PolarHBondContact O-NE 3.47Å; F33-R38 PolarHBondContact O-NH2 3.11Å; F33-L41 HydrophobicContact CD1-CD1 4.12Å; F33-L41 HydrophobicContact CE1-CD1 3.68Å; F33-L41 HydrophobicContact CZ-CD1 4.44Å; F33-I43 HydrophobicContact CB-CD1 4.32Å; F33-I43 HydrophobicContact CD1-CD1 4.15Å; F33-I43 HydrophobicContact CD2-CD1 3.56Å; F33-I43 HydrophobicContact CE1-CD1 4.28Å; F33-I43 HydrophobicContact CE2-CD1 3.76Å; F33-I43 HydrophobicContact CG-CD1 3.78Å; F33-I43 HydrophobicContact CZ-CD1 4.12Å; F33-L47 HydrophobicContact CD2-CD1 3.94Å; F33-Y556 AromaticContact CE1-CD2 3.82Å; F33-Y556 HydrophobicContact CE1-CD2 3.82Å; F33-Y556 HydrophobicContact CE1-CE2 4.2Å
34	S	97.1	Very high	96.7	Very high	40 Å²	40	39 Å²	39	28%	0.28	22%	0.217	S	C	.	.			trans	-63.9	158.6	171.7	67.6	0	0	0	0	110.9	A32 K36 E37 R38	A32-S34 PolarHBondContact O-N 3.35Å; S34-K36 PolarHBondContact O-N 3.07Å; S34-E37 WeakPolarHBondContact CB-OE2 3.18Å; S34-E37 PolarHBondContact N-OE2 3.46Å; S34-E37 PolarHBondContact O-N 3.11Å; S34-E37 VanDerWaalsContact OG-CG 3.24Å; S34-E37 WeakPolarHBondContact OG-CG 3.48Å; S34-E37 PolarHBondContact OG-N 3.19Å; S34-E37 PolarHBondContact OG-OE2 2.87Å; S34-R38 VanDerWaalsContact O-CG 3.31Å; S34-R38 WeakPolarHBondContact O-CG 3.3Å; S34-R38 PolarHBondContact O-N 3.22Å
35	I	97.6	Very high	96.8	Very high	69 Å²	69	39.6 Å²	39.6	35%	0.354	24%	0.236	S	C	.	.	H	α-helix	trans	-57.6	-38.9	177.9	-60.2	-56.5	0	0	0	111.6	R38 Q39 V51	I35-R38 PolarHBondContact O-N 3.11Å; I35-Q39 WeakPolarHBondContact O-CG 3.39Å; I35-Q39 PolarHBondContact O-N 3.4Å; I35-V51 HydrophobicContact CD1-CG2 3.83Å; I35-V51 HydrophobicContact CG1-CG2 4.09Å
36	K	95.9	Very high	96.9	Very high	131 Å²	131	42.1 Å²	42.1	57%	0.57	25%	0.247	S	C	*	.	H	α-helix	trans	-61.6	-46.6	176.8	-68	-174.1	178.7	-176.6	0	112.2	S34 R38 Q39 A40 F557	S34-K36 PolarHBondContact O-N 3.07Å; K36-R38 VanDerWaalsContact C-N 3.34Å; K36-R38 PolarHBondContact O-N 2.87Å; K36-Q39 PolarHBondContact O-N 3.04Å; K36-A40 WeakPolarHBondContact O-CB 3.37Å; K36-A40 PolarHBondContact O-N 3.11Å; K36-F557 HydrophobicContact CB-CD2 3.7Å; K36-F557 HydrophobicContact CB-CE2 3.79Å; K36-F557 HydrophobicContact CB-CG 4.26Å; K36-F557 HydrophobicContact CB-CZ 4.41Å; K36-F557 HydrophobicContact CD-CE1 4.37Å; K36-F557 HydrophobicContact CD-CE2 4.45Å; K36-F557 HydrophobicContact CD-CZ 4.25Å; K36-F557 HydrophobicContact CG-CE2 4.49Å
37	E	96.3	Very high	97.1	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-40.6	175.2	-70.6	171.6	114.3	0	0	111.6	K29 F33 S34 Q39 A40 L41 Y556 F557	K29-E37 IonicContact NZ-OE1 3.62Å; K29-E37 PolarHBondContact NZ-OE1 2.83Å; K29-E37 IonicContact NZ-OE2 3.71Å; F33-E37 HydrophobicContact CD1-CB 4.12Å; S34-E37 WeakPolarHBondContact CB-OE2 3.18Å; S34-E37 PolarHBondContact N-OE2 3.46Å; S34-E37 PolarHBondContact O-N 3.11Å; S34-E37 VanDerWaalsContact OG-CG 3.24Å; S34-E37 WeakPolarHBondContact OG-CG 3.48Å; S34-E37 PolarHBondContact OG-N 3.19Å; S34-E37 PolarHBondContact OG-OE2 2.87Å; E37-Q39 VanDerWaalsContact C-N 3.27Å; E37-Q39 PolarHBondContact O-N 2.74Å; E37-A40 PolarHBondContact O-N 3.36Å; E37-L41 HydrophobicContact CB-CD1 4.39Å; E37-L41 VanDerWaalsContact O-CB 3.25Å; E37-L41 WeakPolarHBondContact O-CB 3.4Å; E37-L41 VanDerWaalsContact O-CG 3.3Å; E37-L41 WeakPolarHBondContact O-CG 3.43Å; E37-L41 PolarHBondContact O-N 3.32Å; E37-Y556 PolarHBondContact OE1-N 2.85Å; E37-Y556 VanDerWaalsContact OE1-N 3.13Å; E37-F557 HydrophobicContact CG-CB 3.94Å
38	R	97.6	Very high	97.3	Very high	3 Å²	3	43 Å²	43	1%	0.011	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-41.3	178.6	-67.5	179	-162	-161.4	3.5	111.8	T31 F33 S34 I35 K36 G42 I43 H44 P48 S50	T31-R38 PolarHBondContact O-NH2 3.2Å; F33-R38 HydrophobicContact CB-CG 3.7Å; F33-R38 PolarHBondContact O-NE 3.47Å; F33-R38 PolarHBondContact O-NH2 3.11Å; S34-R38 VanDerWaalsContact O-CG 3.31Å; S34-R38 WeakPolarHBondContact O-CG 3.3Å; S34-R38 PolarHBondContact O-N 3.22Å; I35-R38 PolarHBondContact O-N 3.11Å; K36-R38 VanDerWaalsContact C-N 3.34Å; K36-R38 PolarHBondContact O-N 2.87Å; R38-G42 PolarHBondContact O-N 3.16Å; R38-I43 VanDerWaalsContact CA-CG1 3.49Å; R38-I43 HydrophobicContact CB-CG1 3.95Å; R38-I43 HydrophobicContact CG-CD1 4.22Å; R38-I43 HydrophobicContact CG-CG1 4.07Å; R38-I43 PolarHBondContact O-N 2.9Å; R38-H44 HydrophobicContact CB-CB 4.11Å; R38-H44 PolarHBondContact O-N 3.26Å; R38-P48 PolarHBondContact NH1-O 3.32Å; R38-S50 PolarHBondContact NH2-O 3.47Å
39	Q	96.5	Very high	97.2	Very high	121 Å²	121	48.2 Å²	48.2	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-68.2	-50.8	175.8	-70.4	170.6	-25.2	0	0	111.2	I35 K36 E37 L41 G42 H44	I35-Q39 WeakPolarHBondContact O-CG 3.39Å; I35-Q39 PolarHBondContact O-N 3.4Å; K36-Q39 PolarHBondContact O-N 3.04Å; E37-Q39 VanDerWaalsContact C-N 3.27Å; E37-Q39 PolarHBondContact O-N 2.74Å; Q39-L41 VanDerWaalsContact C-N 3.31Å; Q39-L41 PolarHBondContact O-N 3.44Å; Q39-G42 PolarHBondContact O-N 3.46Å; Q39-H44 HydrophobicContact CG-CB 4.32Å
40	A	94.8	Very high	97.2	Very high	43 Å²	43	51.4 Å²	51.4	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-34	-177.5	0	0	0	0	0	113.6	K36 E37 F557	K36-A40 WeakPolarHBondContact O-CB 3.37Å; K36-A40 PolarHBondContact O-N 3.11Å; E37-A40 PolarHBondContact O-N 3.36Å; A40-F557 HydrophobicContact CB-CD2 4.03Å; A40-F557 HydrophobicContact CB-CE2 4.3Å
41	L	96.3	Very high	97.2	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.7	179.6	-63.4	172.9	0	0	0	113.3	C14 G18 V21 F33 E37 Q39 I43 Y556	C14-L41 HydrophobicContact CB-CD2 4.26Å; G18-L41 PolarHBondContact N-O 3.01Å; V21-L41 HydrophobicContact CG1-CD1 4.2Å; F33-L41 HydrophobicContact CD1-CD1 4.12Å; F33-L41 HydrophobicContact CE1-CD1 3.68Å; F33-L41 HydrophobicContact CZ-CD1 4.44Å; E37-L41 HydrophobicContact CB-CD1 4.39Å; E37-L41 VanDerWaalsContact O-CB 3.25Å; E37-L41 WeakPolarHBondContact O-CB 3.4Å; E37-L41 VanDerWaalsContact O-CG 3.3Å; E37-L41 WeakPolarHBondContact O-CG 3.43Å; E37-L41 PolarHBondContact O-N 3.32Å; Q39-L41 VanDerWaalsContact C-N 3.31Å; Q39-L41 PolarHBondContact O-N 3.44Å; L41-I43 HydrophobicContact CB-CD1 4.4Å; L41-I43 HydrophobicContact CB-CG1 4.26Å; L41-I43 HydrophobicContact CD1-CD1 4.46Å; L41-Y556 HydrophobicContact CD1-CD2 4.32Å
42	G	96.9	Very high	97.2	Very high	50 Å²	50	54.8 Å²	54.8	52%	0.515	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	30.6	-179.3	0	0	0	0	0	114.4	G18 R38 Q39	G18-G42 WeakPolarHBondContact CA-O 3.18Å; R38-G42 PolarHBondContact O-N 3.16Å; Q39-G42 PolarHBondContact O-N 3.46Å
43	I	97.9	Very high	97.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	35%	0.348	C	S	.	.			trans	-115.3	3.3	-178.6	62.6	175.1	0	0	0	113.4	G18 V21 L22 F33 R38 L41 G45 L46 L47	G18-I43 WeakPolarHBondContact O-CG2 3.43Å; V21-I43 HydrophobicContact CB-CG2 4.19Å; V21-I43 HydrophobicContact CG1-CD1 4.43Å; L22-I43 HydrophobicContact CD2-CD1 4.06Å; L22-I43 HydrophobicContact CD2-CG2 4.44Å; L22-I43 HydrophobicContact CG-CG2 4.23Å; F33-I43 HydrophobicContact CB-CD1 4.32Å; F33-I43 HydrophobicContact CD1-CD1 4.15Å; F33-I43 HydrophobicContact CD2-CD1 3.56Å; F33-I43 HydrophobicContact CE1-CD1 4.28Å; F33-I43 HydrophobicContact CE2-CD1 3.76Å; F33-I43 HydrophobicContact CG-CD1 3.78Å; F33-I43 HydrophobicContact CZ-CD1 4.12Å; R38-I43 VanDerWaalsContact CA-CG1 3.49Å; R38-I43 HydrophobicContact CB-CG1 3.95Å; R38-I43 HydrophobicContact CG-CD1 4.22Å; R38-I43 HydrophobicContact CG-CG1 4.07Å; R38-I43 PolarHBondContact O-N 2.9Å; L41-I43 HydrophobicContact CB-CD1 4.4Å; L41-I43 HydrophobicContact CB-CG1 4.26Å; L41-I43 HydrophobicContact CD1-CD1 4.46Å; I43-G45 PolarHBondContact O-N 3.37Å; I43-L46 HydrophobicContact CB-CD1 4.31Å; I43-L46 HydrophobicContact CG2-CD1 4.35Å; I43-L46 WeakPolarHBondContact O-CB 3.49Å; I43-L46 PolarHBondContact O-N 3.24Å; I43-L46 VanDerWaalsContact O-N 3.1Å; I43-L47 HydrophobicContact CD1-CD1 4.29Å
44	H	98	Very high	97.2	Very high	111 Å²	111	58.7 Å²	58.7	51%	0.514	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	133.9	173.7	-168.5	81.1	0	0	0	110.3	R38 Q39 L46	R38-H44 HydrophobicContact CB-CB 4.11Å; R38-H44 PolarHBondContact O-N 3.26Å; Q39-H44 HydrophobicContact CG-CB 4.32Å; H44-L46 VanDerWaalsContact C-N 3.32Å
45	G	97.6	Very high	97.2	Very high	67 Å²	67	60.8 Å²	60.8	69%	0.691	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-15.4	-172.4	0	0	0	0	0	115.1	I43	I43-G45 PolarHBondContact O-N 3.37Å
46	L	97.8	Very high	97.2	Very high	85 Å²	85	61.7 Å²	61.7	45%	0.445	37%	0.365	S	S	.	.	S	Bend	trans	-88.8	-8.2	177.5	-55.6	-176.3	0	0	0	113.8	W19 L22 I43 H44	W19-L46 HydrophobicContact CE3-CD1 4.32Å; L22-L46 HydrophobicContact CD1-CB 3.8Å; L22-L46 HydrophobicContact CD1-CD1 4.14Å; I43-L46 HydrophobicContact CB-CD1 4.31Å; I43-L46 HydrophobicContact CG2-CD1 4.35Å; I43-L46 WeakPolarHBondContact O-CB 3.49Å; I43-L46 PolarHBondContact O-N 3.24Å; I43-L46 VanDerWaalsContact O-N 3.1Å; H44-L46 VanDerWaalsContact C-N 3.32Å
47	L	97.7	Very high	97.4	Very high	31 Å²	31	55.6 Å²	55.6	16%	0.162	34%	0.339	C	S	.	.	S	Bend	trans	-127.2	150.7	-177.9	-67.7	169.7	0	0	0	109.9	L22 G30 F33 I43	L22-L47 HydrophobicContact CD1-CD2 4.32Å; L22-L47 HydrophobicContact CD1-CG 4.37Å; L22-L47 HydrophobicContact CD2-CD1 4.09Å; L22-L47 HydrophobicContact CD2-CD2 4.24Å; L22-L47 HydrophobicContact CD2-CG 4.33Å; G30-L47 WeakPolarHBondContact O-CD1 3.38Å; F33-L47 HydrophobicContact CD2-CD1 3.94Å; I43-L47 HydrophobicContact CD1-CD1 4.29Å
48	P	97.7	Very high	97.5	Very high	80 Å²	80	55.2 Å²	55.2	52%	0.519	34%	0.338	S	S	.	.			trans	-50.8	145.5	171.9	-26	34.4	0	0	0	111.7	R38 S50	R38-P48 PolarHBondContact NH1-O 3.32Å; P48-S50 PolarHBondContact O-N 2.91Å; P48-S50 VanDerWaalsContact O-N 3.13Å
49	P	97	Very high	97.5	Very high	120 Å²	120	61.3 Å²	61.3	78%	0.779	37%	0.366	S	S	*	.	S	Bend	trans	-66.4	-21	-168.8	25.3	-35	0	0	0	114
50	S	97.2	Very high	97.6	Very high	71 Å²	71	61.9 Å²	61.9	50%	0.497	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-70.9	139.4	177.1	-173	0	0	0	0	112.1	R38 P48	R38-S50 PolarHBondContact NH2-O 3.47Å; P48-S50 PolarHBondContact O-N 2.91Å; P48-S50 VanDerWaalsContact O-N 3.13Å
51	V	98.3	Very high	97.7	Very high	63 Å²	63	60.9 Å²	60.9	38%	0.382	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-103.9	120.6	171.3	-179	0	0	0	0	107.7	T31 I35	T31-V51 WeakPolarHBondContact O-CA 3.47Å; I35-V51 HydrophobicContact CD1-CG2 3.83Å; I35-V51 HydrophobicContact CG1-CG2 4.09Å
52	L	98.1	Very high	97.8	Very high	38 Å²	38	62.3 Å²	62.3	20%	0.199	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-102.6	145.5	178.5	-59.5	-173.9	0	0	0	110.6	T31 A32 Q56 Q57	T31-L52 PolarHBondContact O-N 3.32Å; T31-L52 WeakPolarHBondContact OG1-CD1 3.29Å; A32-L52 VanDerWaalsContact CA-O 3.24Å; A32-L52 WeakPolarHBondContact CA-O 3.45Å; A32-L52 WeakPolarHBondContact CB-O 3.5Å; L52-Q56 HydrophobicContact CB-CB 4.12Å; L52-Q57 HydrophobicContact CB-CG 4Å; L52-Q57 HydrophobicContact CD1-CG 4.44Å
53	T	97.8	Very high	97.9	Very high	67 Å²	67	62.9 Å²	62.9	41%	0.411	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-69.4	158.4	169.4	70.4	0	0	0	0	110.9	Q55 Q56 Q57	T53-Q55 PolarHBondContact O-N 2.63Å; T53-Q56 PolarHBondContact O-N 3.12Å; T53-Q56 VanDerWaalsContact O-N 3.13Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.45Å; T53-Q56 PolarHBondContact OG1-N 3.49Å; T53-Q56 VanDerWaalsContact OG1-N 3.14Å; T53-Q57 PolarHBondContact O-N 3.16Å
54	P	96.9	Very high	97.9	Very high	29 Å²	29	67.1 Å²	67.1	19%	0.188	38%	0.381	C	S	.	.	H	α-helix	trans	-53.4	-39.4	173.5	-26.3	35.6	0	0	0	112.7	Q57 A58 Y553	P54-Q57 WeakPolarHBondContact O-CB 3.29Å; P54-Q57 PolarHBondContact O-N 2.94Å; P54-A58 PolarHBondContact O-N 3.09Å; P54-Y553 HydrophobicContact CB-CD2 4.25Å; P54-Y553 HydrophobicContact CB-CE2 4.04Å; P54-Y553 HydrophobicContact CG-CD2 3.69Å; P54-Y553 HydrophobicContact CG-CE2 3.88Å
55	Q	97.8	Very high	97.9	Very high	85 Å²	85	61.9 Å²	61.9	40%	0.397	36%	0.357	S	S	.	.	H	α-helix	trans	-67.4	-41.4	178.2	-69.4	77.4	7.4	0	0	112	T53 Q57 A58 Q59 R91	T53-Q55 PolarHBondContact O-N 2.63Å; Q55-Q57 VanDerWaalsContact C-N 3.29Å; Q55-Q57 PolarHBondContact O-N 3.28Å; Q55-A58 PolarHBondContact O-N 2.85Å; Q55-Q59 WeakPolarHBondContact O-CB 3.23Å; Q55-Q59 WeakPolarHBondContact O-CG 3.28Å; Q55-Q59 PolarHBondContact O-N 3.05Å; Q55-R91 VanDerWaalsContact NE2-CZ 3.32Å
56	Q	98.3	Very high	97.8	Very high	88 Å²	88	61.9 Å²	61.9	41%	0.411	34%	0.342	S	S	.	.	H	α-helix	trans	-62.4	-38.3	174.1	-75.4	172.8	-32.2	0	0	111.5	L52 T53 R60	L52-Q56 HydrophobicContact CB-CB 4.12Å; T53-Q56 PolarHBondContact O-N 3.12Å; T53-Q56 VanDerWaalsContact O-N 3.13Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.45Å; T53-Q56 PolarHBondContact OG1-N 3.49Å; T53-Q56 VanDerWaalsContact OG1-N 3.14Å; Q56-R60 WeakPolarHBondContact O-CB 3.37Å; Q56-R60 PolarHBondContact O-N 2.85Å; Q56-R60 VanDerWaalsContact O-N 3.08Å
57	Q	98.5	Very high	97.8	Very high	3 Å²	3	61.9 Å²	61.9	1%	0.014	35%	0.348	C	S	.	.	H	α-helix	trans	-64	-45.5	173.7	-67.7	-174.2	-45.1	0	0	111.7	K29 T31 A32 L52 T53 P54 Q55 R60 I61 L88 Y553	K29-Q57 PolarHBondContact O-NE2 3.24Å; K29-Q57 PolarHBondContact O-OE1 3.35Å; T31-Q57 PolarHBondContact OG1-NE2 2.8Å; A32-Q57 VanDerWaalsContact CB-OE1 3.3Å; L52-Q57 HydrophobicContact CB-CG 4Å; L52-Q57 HydrophobicContact CD1-CG 4.44Å; T53-Q57 PolarHBondContact O-N 3.16Å; P54-Q57 WeakPolarHBondContact O-CB 3.29Å; P54-Q57 PolarHBondContact O-N 2.94Å; Q55-Q57 VanDerWaalsContact C-N 3.29Å; Q55-Q57 PolarHBondContact O-N 3.28Å; Q57-R60 PolarHBondContact O-N 2.82Å; Q57-I61 WeakPolarHBondContact O-CG1 3.46Å; Q57-I61 PolarHBondContact O-N 3.24Å; Q57-L88 HydrophobicContact CB-CD1 3.79Å; Q57-L88 HydrophobicContact CB-CD2 3.83Å; Q57-Y553 PolarHBondContact OE1-OH 2.9Å
58	A	98.2	Very high	97.8	Very high	2 Å²	2	62 Å²	62	2%	0.017	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-46.5	178.3	0	0	0	0	0	111.5	P54 Q55 R60 I61 I62 L88 V92	P54-A58 PolarHBondContact O-N 3.09Å; Q55-A58 PolarHBondContact O-N 2.85Å; A58-R60 VanDerWaalsContact C-N 3.32Å; A58-R60 PolarHBondContact O-N 3.09Å; A58-I61 PolarHBondContact O-N 3.46Å; A58-I61 VanDerWaalsContact O-N 3.13Å; A58-I62 VanDerWaalsContact O-CG1 3.31Å; A58-I62 WeakPolarHBondContact O-CG1 3.45Å; A58-I62 PolarHBondContact O-N 2.91Å; A58-L88 HydrophobicContact CB-CD1 4.21Å; A58-V92 HydrophobicContact CB-CG2 4.03Å
59	Q	98.2	Very high	97.8	Very high	131 Å²	131	63 Å²	63	61%	0.612	36%	0.355	S	S	*	.	H	α-helix	trans	-57.2	-43.7	175.3	-73.9	173	-15.3	0	0	112.3	Q55 I61 I62 A63	Q55-Q59 WeakPolarHBondContact O-CB 3.23Å; Q55-Q59 WeakPolarHBondContact O-CG 3.28Å; Q55-Q59 PolarHBondContact O-N 3.05Å; Q59-I61 VanDerWaalsContact C-N 3.34Å; Q59-I61 PolarHBondContact O-N 3.4Å; Q59-I62 PolarHBondContact O-N 3.45Å; Q59-A63 WeakPolarHBondContact O-CB 3.46Å; Q59-A63 PolarHBondContact O-N 3.07Å
60	R	98.1	Very high	97.7	Very high	133 Å²	133	60.4 Å²	60.4	50%	0.502	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-41.1	176.7	-177.9	176.3	63.4	158	-2	112.1	Q56 Q57 A58 N64	Q56-R60 WeakPolarHBondContact O-CB 3.37Å; Q56-R60 PolarHBondContact O-N 2.85Å; Q56-R60 VanDerWaalsContact O-N 3.08Å; Q57-R60 PolarHBondContact O-N 2.82Å; A58-R60 VanDerWaalsContact C-N 3.32Å; A58-R60 PolarHBondContact O-N 3.09Å; R60-N64 PolarHBondContact O-N 2.99Å
61	I	98.2	Very high	97.7	Very high	21 Å²	21	60.3 Å²	60.3	11%	0.108	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-48.5	176	-67.5	-54.9	0	0	0	110.5	Q57 A58 Q59 A63 N64 L65 L81 L88 V92	Q57-I61 WeakPolarHBondContact O-CG1 3.46Å; Q57-I61 PolarHBondContact O-N 3.24Å; A58-I61 PolarHBondContact O-N 3.46Å; A58-I61 VanDerWaalsContact O-N 3.13Å; Q59-I61 VanDerWaalsContact C-N 3.34Å; Q59-I61 PolarHBondContact O-N 3.4Å; I61-A63 VanDerWaalsContact C-N 3.35Å; I61-A63 PolarHBondContact O-N 2.98Å; I61-N64 WeakPolarHBondContact O-CB 3.41Å; I61-N64 PolarHBondContact O-N 3.11Å; I61-N64 VanDerWaalsContact O-N 3.12Å; I61-L65 HydrophobicContact CG2-CD1 3.72Å; I61-L65 HydrophobicContact CG2-CG 4.13Å; I61-L65 WeakPolarHBondContact O-CG 3.45Å; I61-L65 PolarHBondContact O-N 3.46Å; I61-L81 HydrophobicContact CD1-CD1 3.94Å; I61-L81 HydrophobicContact CG1-CD1 4.18Å; I61-L81 HydrophobicContact CG1-CD2 4.24Å; I61-L81 HydrophobicContact CG2-CD2 3.66Å; I61-L88 HydrophobicContact CG1-CD2 3.99Å; I61-L88 HydrophobicContact CG1-CG 4.41Å; I61-V92 HydrophobicContact CB-CG2 4.15Å; I61-V92 HydrophobicContact CG2-CG1 4.23Å; I61-V92 HydrophobicContact CG2-CG2 3.94Å
62	I	98.3	Very high	97.5	Very high	33 Å²	33	58.3 Å²	58.3	17%	0.169	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-47.6	179.6	-70.3	165.8	0	0	0	110.6	A58 Q59 N64 L65 D66 V92 Y100	A58-I62 VanDerWaalsContact O-CG1 3.31Å; A58-I62 WeakPolarHBondContact O-CG1 3.45Å; A58-I62 PolarHBondContact O-N 2.91Å; Q59-I62 PolarHBondContact O-N 3.45Å; I62-N64 VanDerWaalsContact C-N 3.27Å; I62-N64 PolarHBondContact O-N 3.15Å; I62-L65 PolarHBondContact O-N 2.83Å; I62-D66 WeakPolarHBondContact O-CB 3.48Å; I62-D66 PolarHBondContact O-N 3.25Å; I62-V92 HydrophobicContact CG1-CG1 4.26Å; I62-Y100 HydrophobicContact CG1-CE2 4.14Å
63	A	98.2	Very high	97.5	Very high	63 Å²	63	60.3 Å²	60.3	52%	0.521	32%	0.324	S	S	.	.	H	α-helix	trans	-58.5	-39.3	177.2	0	0	0	0	0	112.4	Q59 I61 S67	Q59-A63 WeakPolarHBondContact O-CB 3.46Å; Q59-A63 PolarHBondContact O-N 3.07Å; I61-A63 VanDerWaalsContact C-N 3.35Å; I61-A63 PolarHBondContact O-N 2.98Å; A63-S67 PolarHBondContact O-N 3.34Å
64	N	98.2	Very high	97.5	Very high	88 Å²	88	59.5 Å²	59.5	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-67.4	-48.2	175.1	-175.2	-100.9	0	0	0	111.7	R60 I61 I62 D66 S67 L68	R60-N64 PolarHBondContact O-N 2.99Å; I61-N64 WeakPolarHBondContact O-CB 3.41Å; I61-N64 PolarHBondContact O-N 3.11Å; I61-N64 VanDerWaalsContact O-N 3.12Å; I62-N64 VanDerWaalsContact C-N 3.27Å; I62-N64 PolarHBondContact O-N 3.15Å; N64-D66 VanDerWaalsContact C-N 3.27Å; N64-D66 PolarHBondContact O-N 3.46Å; N64-S67 PolarHBondContact O-N 2.98Å; N64-S67 VanDerWaalsContact O-N 3.15Å; N64-S67 PolarHBondContact O-OG 3.22Å; N64-L68 PolarHBondContact O-N 3.23Å
65	L	98.1	Very high	97.5	Very high	2 Å²	2	59 Å²	59	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-58.6	-40.4	178.5	-69.5	172.4	0	0	0	112.2	I61 I62 S67 L68 R74 A77 L78 V92 Y100	I61-L65 HydrophobicContact CG2-CD1 3.72Å; I61-L65 HydrophobicContact CG2-CG 4.13Å; I61-L65 WeakPolarHBondContact O-CG 3.45Å; I61-L65 PolarHBondContact O-N 3.46Å; I62-L65 PolarHBondContact O-N 2.83Å; L65-S67 VanDerWaalsContact C-N 3.3Å; L65-S67 PolarHBondContact O-N 2.96Å; L65-L68 HydrophobicContact CD2-CD1 4.26Å; L65-L68 PolarHBondContact O-N 3.16Å; L65-R74 HydrophobicContact CD2-CB 4.42Å; L65-R74 WeakPolarHBondContact O-CG 3.42Å; L65-R74 PolarHBondContact O-NE 3.38Å; L65-A77 HydrophobicContact CD2-CB 3.7Å; L65-L78 HydrophobicContact CD1-CD2 3.66Å; L65-L78 HydrophobicContact CD1-CG 4.1Å; L65-L78 HydrophobicContact CD2-CD2 4.3Å; L65-L78 HydrophobicContact CD2-CG 3.93Å; L65-V92 HydrophobicContact CD1-CG1 4.22Å; L65-Y100 HydrophobicContact CB-CE1 4.11Å; L65-Y100 HydrophobicContact CD1-CD1 4.34Å; L65-Y100 HydrophobicContact CD1-CE1 3.77Å; L65-Y100 HydrophobicContact CD1-CE2 4.32Å
66	D	95.2	Very high	97.4	Very high	67 Å²	67	57.8 Å²	57.8	36%	0.358	30%	0.303	S	S	.	.	H	α-helix	trans	-69.5	-30.8	-179.2	-70.2	-5.6	0	0	0	111.9	I62 N64 L68 K99 Y100	I62-D66 WeakPolarHBondContact O-CB 3.48Å; I62-D66 PolarHBondContact O-N 3.25Å; N64-D66 VanDerWaalsContact C-N 3.27Å; N64-D66 PolarHBondContact O-N 3.46Å; D66-L68 VanDerWaalsContact C-N 3.29Å; D66-L68 PolarHBondContact O-N 3.38Å; D66-K99 WeakPolarHBondContact OD1-CE 3.42Å; D66-K99 IonicContact OD1-NZ 3.22Å; D66-K99 PolarHBondContact OD1-NZ 2.92Å; D66-K99 IonicContact OD2-NZ 2.7Å; D66-K99 PolarHBondContact OD2-NZ 3.39Å; D66-Y100 PolarHBondContact OD1-OH 3.07Å; D66-Y100 VanDerWaalsContact OD1-OH 3.14Å
67	S	97.5	Very high	97.3	Very high	84 Å²	84	55 Å²	55	59%	0.587	30%	0.295	S	S	*	.	H	α-helix	trans	-74.1	-15.4	175.8	76.1	0	0	0	0	114.5	A63 N64 L65	A63-S67 PolarHBondContact O-N 3.34Å; N64-S67 PolarHBondContact O-N 2.98Å; N64-S67 VanDerWaalsContact O-N 3.15Å; N64-S67 PolarHBondContact O-OG 3.22Å; L65-S67 VanDerWaalsContact C-N 3.3Å; L65-S67 PolarHBondContact O-N 2.96Å
68	L	98	Very high	97.3	Very high	35 Å²	35	54.9 Å²	54.9	18%	0.183	30%	0.295	C	S	.	.	S	Bend	trans	-71	140.9	-178.4	-67.2	170.9	0	0	0	111.1	N64 L65 D66 N70 Q73 R74 A77	N64-L68 PolarHBondContact O-N 3.23Å; L65-L68 HydrophobicContact CD2-CD1 4.26Å; L65-L68 PolarHBondContact O-N 3.16Å; D66-L68 VanDerWaalsContact C-N 3.29Å; D66-L68 PolarHBondContact O-N 3.38Å; L68-N70 PolarHBondContact O-N 3.15Å; L68-Q73 HydrophobicContact CB-CB 4.35Å; L68-Q73 HydrophobicContact CD1-CB 4.4Å; L68-Q73 HydrophobicContact CD2-CB 4.42Å; L68-R74 HydrophobicContact CB-CG 3.93Å; L68-R74 HydrophobicContact CD1-CB 4.5Å; L68-R74 HydrophobicContact CD1-CG 4.04Å; L68-R74 VanDerWaalsContact O-CZ 3.3Å; L68-R74 PolarHBondContact O-NH2 2.84Å; L68-A77 HydrophobicContact CD1-CB 3.72Å
69	P	97.3	Very high	97.2	Very high	99 Å²	99	55.6 Å²	55.6	64%	0.643	30%	0.299	S	S	*	.	S	Bend	trans	-72.1	-20.8	-172.1	27.8	-39	0	0	0	115
70	N	96.3	Very high	97.1	Very high	67 Å²	67	51.6 Å²	51.6	36%	0.358	29%	0.285	S	S	.	.	S	Bend	trans	-154.6	164.7	-178.8	61.2	67.1	0	0	0	112.9	L68 L72 Q73 R74	L68-N70 PolarHBondContact O-N 3.15Å; N70-L72 VanDerWaalsContact C-N 3.32Å; N70-L72 PolarHBondContact O-N 2.83Å; N70-L72 WeakPolarHBondContact OD1-CB 3.36Å; N70-L72 PolarHBondContact OD1-N 3.33Å; N70-Q73 PolarHBondContact O-N 2.94Å; N70-Q73 PolarHBondContact OD1-N 2.9Å; N70-R74 PolarHBondContact O-N 3.03Å; N70-R74 VanDerWaalsContact O-N 3.16Å
71	D	95.4	Very high	97.1	Very high	69 Å²	69	45.3 Å²	45.3	37%	0.369	26%	0.262	S	S	.	.	H	α-helix	trans	-68.9	-28.1	-174.3	-65.5	-19.6	0	0	0	113.7	Q73 R74 Y75 I103 T108	D71-Q73 VanDerWaalsContact C-N 3.34Å; D71-Q73 PolarHBondContact O-N 3.41Å; D71-R74 WeakPolarHBondContact O-CB 3Å; D71-R74 PolarHBondContact O-N 2.86Å; D71-R74 IonicContact OD1-CZ 2.96Å; D71-R74 IonicContact OD1-NH1 2.65Å; D71-R74 PolarHBondContact OD1-NH1 2.65Å; D71-Y75 WeakPolarHBondContact O-CB 3.48Å; D71-Y75 PolarHBondContact O-N 3.22Å; D71-I103 HydrophobicContact CB-CD1 3.67Å; D71-I103 WeakPolarHBondContact OD1-CD1 3.47Å; D71-T108 HydrophobicContact CB-CG2 3.82Å; D71-T108 WeakPolarHBondContact O-CG2 3.36Å
72	L	95.5	Very high	97	Very high	20 Å²	20	45.7 Å²	45.7	11%	0.105	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-42.2	174.8	-179.9	64.9	0	0	0	111.2	N70 R74 Y75 M76 L111 A112 K115 I119	N70-L72 VanDerWaalsContact C-N 3.32Å; N70-L72 PolarHBondContact O-N 2.83Å; N70-L72 WeakPolarHBondContact OD1-CB 3.36Å; N70-L72 PolarHBondContact OD1-N 3.33Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-Y75 WeakPolarHBondContact O-CB 3.43Å; L72-Y75 PolarHBondContact O-N 2.66Å; L72-M76 WeakPolarHBondContact O-CG 3.4Å; L72-M76 PolarHBondContact O-N 3.06Å; L72-L111 HydrophobicContact CB-CD2 4.16Å; L72-L111 HydrophobicContact CD1-CG 4.47Å; L72-A112 HydrophobicContact CD1-CB 4.12Å; L72-K115 HydrophobicContact CD2-CD 3.6Å; L72-I119 HydrophobicContact CD1-CD1 4.05Å
73	Q	96.8	Very high	96.9	Very high	80 Å²	80	45.3 Å²	45.3	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-67.9	-35.9	175.1	-71.4	-173.8	-13.6	0	0	111.8	L68 N70 D71 M76 A77	L68-Q73 HydrophobicContact CB-CB 4.35Å; L68-Q73 HydrophobicContact CD1-CB 4.4Å; L68-Q73 HydrophobicContact CD2-CB 4.42Å; N70-Q73 PolarHBondContact O-N 2.94Å; N70-Q73 PolarHBondContact OD1-N 2.9Å; D71-Q73 VanDerWaalsContact C-N 3.34Å; D71-Q73 PolarHBondContact O-N 3.41Å; Q73-M76 PolarHBondContact O-N 3.19Å; Q73-A77 WeakPolarHBondContact O-CB 3.3Å; Q73-A77 PolarHBondContact O-N 3.37Å
74	R	97.9	Very high	96.8	Very high	51 Å²	51	47.5 Å²	47.5	19%	0.192	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-42.4	171.7	-65.2	179.1	-177.8	107.6	1.9	111.8	L65 L68 N70 D71 L72 A77 L78 I103	L65-R74 HydrophobicContact CD2-CB 4.42Å; L65-R74 WeakPolarHBondContact O-CG 3.42Å; L65-R74 PolarHBondContact O-NE 3.38Å; L68-R74 HydrophobicContact CB-CG 3.93Å; L68-R74 HydrophobicContact CD1-CB 4.5Å; L68-R74 HydrophobicContact CD1-CG 4.04Å; L68-R74 VanDerWaalsContact O-CZ 3.3Å; L68-R74 PolarHBondContact O-NH2 2.84Å; N70-R74 PolarHBondContact O-N 3.03Å; N70-R74 VanDerWaalsContact O-N 3.16Å; D71-R74 WeakPolarHBondContact O-CB 3Å; D71-R74 PolarHBondContact O-N 2.86Å; D71-R74 IonicContact OD1-CZ 2.96Å; D71-R74 IonicContact OD1-NH1 2.65Å; D71-R74 PolarHBondContact OD1-NH1 2.65Å; L72-R74 VanDerWaalsContact C-N 3.34Å; R74-A77 PolarHBondContact O-N 2.98Å; R74-L78 WeakPolarHBondContact O-CB 3.44Å; R74-L78 WeakPolarHBondContact O-CG 3.3Å; R74-L78 PolarHBondContact O-N 3.26Å; R74-I103 HydrophobicContact CB-CG2 3.76Å
75	Y	96.8	Very high	96.8	Very high	17 Å²	17	43.5 Å²	43.5	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-49	174.1	172.3	-88.5	0	0	0	111.4	D71 L72 A77 L78 T79 I103 V109 A112 I119	D71-Y75 WeakPolarHBondContact O-CB 3.48Å; D71-Y75 PolarHBondContact O-N 3.22Å; L72-Y75 WeakPolarHBondContact O-CB 3.43Å; L72-Y75 PolarHBondContact O-N 2.66Å; Y75-A77 VanDerWaalsContact C-N 3.31Å; Y75-A77 PolarHBondContact O-N 3.4Å; Y75-L78 PolarHBondContact O-N 2.95Å; Y75-T79 WeakPolarHBondContact O-CB 3.43Å; Y75-T79 PolarHBondContact O-N 3.48Å; Y75-T79 PolarHBondContact O-OG1 2.93Å; Y75-I103 VanDerWaalsContact CD2-O 3.32Å; Y75-I103 WeakPolarHBondContact CD2-O 3.48Å; Y75-V109 HydrophobicContact CE2-CB 4.43Å; Y75-V109 HydrophobicContact CE2-CG2 4.16Å; Y75-A112 HydrophobicContact CD1-CB 3.57Å; Y75-A112 HydrophobicContact CD2-CB 4.26Å; Y75-A112 HydrophobicContact CE1-CB 3.38Å; Y75-A112 HydrophobicContact CE2-CB 4.08Å; Y75-A112 HydrophobicContact CG-CB 4.02Å; Y75-I119 HydrophobicContact CD1-CD1 4.35Å; Y75-I119 HydrophobicContact CE1-CD1 4.17Å
76	M	96.4	Very high	96.8	Very high	61 Å²	61	44.5 Å²	44.5	30%	0.3	24%	0.239	S	C	.	.	H	α-helix	trans	-61.7	-38.6	177.7	-68.6	173.1	70.3	0	0	112.4	L72 Q73 T79 S80 I119 Q121	L72-M76 WeakPolarHBondContact O-CG 3.4Å; L72-M76 PolarHBondContact O-N 3.06Å; Q73-M76 PolarHBondContact O-N 3.19Å; M76-T79 PolarHBondContact O-N 2.66Å; M76-S80 WeakPolarHBondContact O-CB 3.33Å; M76-S80 PolarHBondContact O-N 3.47Å; M76-I119 HydrophobicContact CE-CB 4.22Å; M76-I119 HydrophobicContact CE-CG2 4.16Å; M76-I119 HydrophobicContact CG-CB 4.44Å; M76-I119 HydrophobicContact CG-CD1 4.47Å; M76-I119 HydrophobicContact SD-CB 4.23Å; M76-I119 HydrophobicContact SD-CG2 3.85Å; M76-Q121 PolarHBondContact O-NE2 2.9Å
77	A	97.4	Very high	97	Very high	28 Å²	28	42 Å²	42	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-68.3	-41.5	177.3	0	0	0	0	0	112.3	L65 L68 Q73 R74 Y75 S80 L81	L65-A77 HydrophobicContact CD2-CB 3.7Å; L68-A77 HydrophobicContact CD1-CB 3.72Å; Q73-A77 WeakPolarHBondContact O-CB 3.3Å; Q73-A77 PolarHBondContact O-N 3.37Å; R74-A77 PolarHBondContact O-N 2.98Å; Y75-A77 VanDerWaalsContact C-N 3.31Å; Y75-A77 PolarHBondContact O-N 3.4Å; A77-S80 PolarHBondContact O-N 3.42Å; A77-L81 WeakPolarHBondContact O-CB 3.48Å; A77-L81 PolarHBondContact O-N 3.34Å
78	L	97.6	Very high	97	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-66	-39.4	174	-78.1	172.6	0	0	0	112	L65 R74 Y75 L81 Q82 F89 V92 Y100 I103 V104	L65-L78 HydrophobicContact CD1-CD2 3.66Å; L65-L78 HydrophobicContact CD1-CG 4.1Å; L65-L78 HydrophobicContact CD2-CD2 4.3Å; L65-L78 HydrophobicContact CD2-CG 3.93Å; R74-L78 WeakPolarHBondContact O-CB 3.44Å; R74-L78 WeakPolarHBondContact O-CG 3.3Å; R74-L78 PolarHBondContact O-N 3.26Å; Y75-L78 PolarHBondContact O-N 2.95Å; L78-L81 HydrophobicContact CD2-CD2 4.4Å; L78-L81 WeakPolarHBondContact O-CB 3.4Å; L78-L81 PolarHBondContact O-N 3.15Å; L78-Q82 PolarHBondContact O-N 3Å; L78-F89 HydrophobicContact CB-CE2 4.21Å; L78-F89 HydrophobicContact CD2-CD2 4.34Å; L78-F89 HydrophobicContact CD2-CE2 4.37Å; L78-F89 WeakPolarHBondContact O-CD2 3.4Å; L78-V92 HydrophobicContact CD2-CG1 4.45Å; L78-Y100 HydrophobicContact CD1-CD1 4.27Å; L78-Y100 HydrophobicContact CD1-CG 4.48Å; L78-I103 HydrophobicContact CD1-CB 4.13Å; L78-I103 HydrophobicContact CD1-CG2 3.73Å; L78-V104 HydrophobicContact CD1-CG1 3.74Å
79	T	95.9	Very high	97	Very high	17 Å²	17	36.8 Å²	36.8	10%	0.104	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-44.9	176.4	-57.3	0	0	0	0	110.8	Y75 M76 L81 Q82 D83 K124	Y75-T79 WeakPolarHBondContact O-CB 3.43Å; Y75-T79 PolarHBondContact O-N 3.48Å; Y75-T79 PolarHBondContact O-OG1 2.93Å; M76-T79 PolarHBondContact O-N 2.66Å; T79-L81 VanDerWaalsContact C-N 3.34Å; T79-L81 PolarHBondContact O-N 3.05Å; T79-Q82 WeakPolarHBondContact O-CB 3.44Å; T79-Q82 PolarHBondContact O-N 3.37Å; T79-D83 PolarHBondContact O-N 3.28Å; T79-D83 VanDerWaalsContact O-N 3.13Å; T79-K124 HydrophobicContact CG2-CD 4.27Å; T79-K124 PolarHBondContact O-NZ 2.93Å
80	S	96.4	Very high	97.1	Very high	47 Å²	47	32.4 Å²	32.4	33%	0.329	16%	0.162	S	C	.	.	H	α-helix	trans	-66	-33.7	174.2	178.3	0	0	0	0	112.8	M76 A77 D83 R84	M76-S80 WeakPolarHBondContact O-CB 3.33Å; M76-S80 PolarHBondContact O-N 3.47Å; A77-S80 PolarHBondContact O-N 3.42Å; S80-D83 PolarHBondContact O-N 3.4Å; S80-R84 WeakPolarHBondContact O-CB 3.36Å; S80-R84 PolarHBondContact O-N 3.15Å; S80-R84 PolarHBondContact O-NH1 3.3Å; S80-R84 PolarHBondContact OG-NH1 3.25Å
81	L	97.7	Very high	97.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-46.1	173.9	177.2	64.6	0	0	0	111.1	I61 A77 L78 T79 D83 R84 N85 L88 F89	I61-L81 HydrophobicContact CD1-CD1 3.94Å; I61-L81 HydrophobicContact CG1-CD1 4.18Å; I61-L81 HydrophobicContact CG1-CD2 4.24Å; I61-L81 HydrophobicContact CG2-CD2 3.66Å; A77-L81 WeakPolarHBondContact O-CB 3.48Å; A77-L81 PolarHBondContact O-N 3.34Å; L78-L81 HydrophobicContact CD2-CD2 4.4Å; L78-L81 WeakPolarHBondContact O-CB 3.4Å; L78-L81 PolarHBondContact O-N 3.15Å; T79-L81 VanDerWaalsContact C-N 3.34Å; T79-L81 PolarHBondContact O-N 3.05Å; L81-D83 PolarHBondContact O-N 2.74Å; L81-R84 VanDerWaalsContact CD1-NH2 3.31Å; L81-R84 PolarHBondContact O-N 3.08Å; L81-N85 CarbonylContact O-C 3.57Å; L81-N85 PolarHBondContact O-N 3.11Å; L81-L88 HydrophobicContact CD1-CB 4.45Å; L81-L88 HydrophobicContact CD1-CD2 3.95Å; L81-L88 HydrophobicContact CD1-CG 4.14Å; L81-F89 HydrophobicContact CD2-CB 4.23Å; L81-F89 HydrophobicContact CG-CB 4Å
82	Q	97.2	Very high	97.2	Very high	29 Å²	29	26.5 Å²	26.5	14%	0.136	13%	0.129	C	C	.	.	H	α-helix	trans	-57.2	-38.9	175.7	-172.1	-175.5	37	0	0	111.4	P25 L78 T79 R84 F89 S180	P25-Q82 WeakPolarHBondContact CB-O 3.48Å; L78-Q82 PolarHBondContact O-N 3Å; T79-Q82 WeakPolarHBondContact O-CB 3.44Å; T79-Q82 PolarHBondContact O-N 3.37Å; Q82-R84 PolarHBondContact O-N 2.94Å; Q82-F89 HydrophobicContact CB-CB 4.16Å; Q82-F89 HydrophobicContact CB-CD1 3.96Å; Q82-F89 HydrophobicContact CB-CD2 3.83Å; Q82-F89 HydrophobicContact CB-CE1 4.29Å; Q82-F89 HydrophobicContact CB-CE2 4.19Å; Q82-F89 HydrophobicContact CB-CG 3.7Å; Q82-F89 HydrophobicContact CB-CZ 4.4Å; Q82-F89 HydrophobicContact CG-CD1 3.77Å; Q82-F89 HydrophobicContact CG-CE1 3.98Å; Q82-F89 HydrophobicContact CG-CG 4.05Å; Q82-F89 HydrophobicContact CG-CZ 4.45Å; Q82-S180 PolarHBondContact NE2-OG 3.19Å
83	D	95.3	Very high	97.2	Very high	25 Å²	25	25.6 Å²	25.6	13%	0.134	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.1	177.5	-72.3	-24.5	0	0	0	115	T79 S80 L81 K122 K124	T79-D83 PolarHBondContact O-N 3.28Å; T79-D83 VanDerWaalsContact O-N 3.13Å; S80-D83 PolarHBondContact O-N 3.4Å; L81-D83 PolarHBondContact O-N 2.74Å; D83-K122 HydrophobicContact CB-CD 4.12Å; D83-K124 VanDerWaalsContact CG-CE 3.46Å; D83-K124 WeakPolarHBondContact OD1-CE 3.45Å; D83-K124 IonicContact OD1-NZ 3.69Å; D83-K124 PolarHBondContact OD1-NZ 2.83Å; D83-K124 VanDerWaalsContact OD2-CE 3.24Å; D83-K124 WeakPolarHBondContact OD2-CE 3.3Å; D83-K124 IonicContact OD2-NZ 3.02Å; D83-K124 PolarHBondContact OD2-NZ 3.35Å
84	R	97	Very high	97.1	Very high	108 Å²	108	23.1 Å²	23.1	41%	0.408	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-40.5	-177.5	-177.4	174.6	62.4	-108.2	2.4	112.1	N28 S80 L81 Q82	N28-R84 WeakPolarHBondContact CB-O 3.38Å; N28-R84 PolarHBondContact ND2-O 3.34Å; S80-R84 WeakPolarHBondContact O-CB 3.36Å; S80-R84 PolarHBondContact O-N 3.15Å; S80-R84 PolarHBondContact O-NH1 3.3Å; S80-R84 PolarHBondContact OG-NH1 3.25Å; L81-R84 VanDerWaalsContact CD1-NH2 3.31Å; L81-R84 PolarHBondContact O-N 3.08Å; Q82-R84 PolarHBondContact O-N 2.94Å
85	N	97.9	Very high	96.9	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.124	C	C	.	.			trans	-158.4	97.8	-174.2	-176	-29.2	0	0	0	109.5	P25 N28 L81 L88 F89 Y553	P25-N85 WeakPolarHBondContact O-CA 3.35Å; N28-N85 PolarHBondContact O-ND2 2.72Å; N28-N85 VanDerWaalsContact O-ND2 3.15Å; N28-N85 PolarHBondContact O-OD1 2.95Å; L81-N85 CarbonylContact O-C 3.57Å; L81-N85 PolarHBondContact O-N 3.11Å; N85-L88 HydrophobicContact CB-CB 4.04Å; N85-L88 PolarHBondContact O-N 2.83Å; N85-L88 VanDerWaalsContact OD1-CB 3.23Å; N85-L88 WeakPolarHBondContact OD1-CB 3.49Å; N85-L88 PolarHBondContact OD1-N 3.48Å; N85-F89 PolarHBondContact O-N 3.42Å; N85-Y553 PolarHBondContact ND2-OH 3.36Å
86	E	97.9	Very high	96.8	Very high	23 Å²	23	25.8 Å²	25.8	11%	0.107	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-45.5	-173.8	-172.1	-170.4	84.7	0	0	111.7	P25 R26 L88 F89 Y90 P190 Y549	P25-E86 HydrophobicContact CB-CB 4.46Å; P25-E86 WeakPolarHBondContact O-CB 3.38Å; P25-E86 PolarHBondContact O-N 3.28Å; R26-E86 IonicContact NE-OE2 3.37Å; E86-L88 PolarHBondContact O-N 2.96Å; E86-F89 WeakPolarHBondContact O-CB 3.39Å; E86-F89 PolarHBondContact O-N 3.34Å; E86-Y90 HydrophobicContact CG-CD2 3.79Å; E86-Y90 HydrophobicContact CG-CE2 3.55Å; E86-Y90 VanDerWaalsContact O-CD2 3.24Å; E86-Y90 WeakPolarHBondContact O-CD2 3.5Å; E86-Y90 PolarHBondContact O-N 3.19Å; E86-P190 VanDerWaalsContact CD-CG 3.41Å; E86-P190 HydrophobicContact CG-CG 4.34Å; E86-P190 WeakPolarHBondContact OE1-CG 3.12Å; E86-Y549 PolarHBondContact OE1-OH 3.35Å; E86-Y549 VanDerWaalsContact OE1-OH 3.08Å
87	K	98	Very high	96.5	Very high	15 Å²	15	23.6 Å²	23.6	7%	0.065	12%	0.122	C	C	.	.	H	α-helix	trans	-60.2	-44.8	178.2	-69.5	-85.6	-172.4	155	0	111.2	Y90 R91 Y549 N550 E552 Y553 D554	K87-Y90 PolarHBondContact O-N 3.49Å; K87-R91 WeakPolarHBondContact O-CB 3.35Å; K87-R91 PolarHBondContact O-N 2.8Å; K87-Y549 HydrophobicContact CD-CE2 4.45Å; K87-Y549 WeakPolarHBondContact CD-OH 3.39Å; K87-N550 WeakPolarHBondContact CD-O 3.35Å; K87-N550 WeakPolarHBondContact CE-O 3.39Å; K87-N550 PolarHBondContact NZ-O 3.37Å; K87-E552 WeakPolarHBondContact CD-O 3.4Å; K87-E552 PolarHBondContact NZ-O 3.5Å; K87-Y553 HydrophobicContact CB-CD1 3.73Å; K87-Y553 HydrophobicContact CB-CE1 3.62Å; K87-Y553 HydrophobicContact CG-CD1 4.09Å; K87-Y553 HydrophobicContact CG-CE1 4.38Å; K87-D554 WeakPolarHBondContact CE-OD2 3.35Å; K87-D554 IonicContact NZ-OD1 2.87Å; K87-D554 PolarHBondContact NZ-OD1 2.96Å; K87-D554 IonicContact NZ-OD2 2.72Å; K87-D554 PolarHBondContact NZ-OD2 3.26Å
88	L	98.5	Very high	95.9	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-68	-37.6	177.5	-175.7	58.8	0	0	0	112.4	Q57 A58 I61 L81 N85 E86 R91 V92	Q57-L88 HydrophobicContact CB-CD1 3.79Å; Q57-L88 HydrophobicContact CB-CD2 3.83Å; A58-L88 HydrophobicContact CB-CD1 4.21Å; I61-L88 HydrophobicContact CG1-CD2 3.99Å; I61-L88 HydrophobicContact CG1-CG 4.41Å; L81-L88 HydrophobicContact CD1-CB 4.45Å; L81-L88 HydrophobicContact CD1-CD2 3.95Å; L81-L88 HydrophobicContact CD1-CG 4.14Å; N85-L88 HydrophobicContact CB-CB 4.04Å; N85-L88 PolarHBondContact O-N 2.83Å; N85-L88 VanDerWaalsContact OD1-CB 3.23Å; N85-L88 WeakPolarHBondContact OD1-CB 3.49Å; N85-L88 PolarHBondContact OD1-N 3.48Å; E86-L88 PolarHBondContact O-N 2.96Å; L88-R91 PolarHBondContact O-N 3.42Å; L88-V92 HydrophobicContact CD1-CG2 4.35Å; L88-V92 WeakPolarHBondContact O-CG2 3.28Å; L88-V92 PolarHBondContact O-N 2.79Å
89	F	98.3	Very high	95.6	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.013	16%	0.157	C	C	.	.	H	α-helix	trans	-57.4	-53.6	172.8	167.1	-103.7	0	0	0	111.2	L78 L81 Q82 N85 E86 R91 V92 L93 V104	L78-F89 HydrophobicContact CB-CE2 4.21Å; L78-F89 HydrophobicContact CD2-CD2 4.34Å; L78-F89 HydrophobicContact CD2-CE2 4.37Å; L78-F89 WeakPolarHBondContact O-CD2 3.4Å; L81-F89 HydrophobicContact CD2-CB 4.23Å; L81-F89 HydrophobicContact CG-CB 4Å; Q82-F89 HydrophobicContact CB-CB 4.16Å; Q82-F89 HydrophobicContact CB-CD1 3.96Å; Q82-F89 HydrophobicContact CB-CD2 3.83Å; Q82-F89 HydrophobicContact CB-CE1 4.29Å; Q82-F89 HydrophobicContact CB-CE2 4.19Å; Q82-F89 HydrophobicContact CB-CG 3.7Å; Q82-F89 HydrophobicContact CB-CZ 4.4Å; Q82-F89 HydrophobicContact CG-CD1 3.77Å; Q82-F89 HydrophobicContact CG-CE1 3.98Å; Q82-F89 HydrophobicContact CG-CG 4.05Å; Q82-F89 HydrophobicContact CG-CZ 4.45Å; N85-F89 PolarHBondContact O-N 3.42Å; E86-F89 WeakPolarHBondContact O-CB 3.39Å; E86-F89 PolarHBondContact O-N 3.34Å; F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.43Å; F89-V92 PolarHBondContact O-N 3.03Å; F89-L93 HydrophobicContact CE1-CD2 4.35Å; F89-L93 HydrophobicContact CZ-CD2 4.1Å; F89-L93 PolarHBondContact O-N 2.94Å; F89-V104 HydrophobicContact CE2-CG1 4.21Å; F89-V104 HydrophobicContact CZ-CG1 4.27Å
90	Y	98.1	Very high	95.5	Very high	8 Å²	8	31 Å²	31	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-68.4	-32.1	-180	-73.2	-60.9	0	0	0	112.8	E86 K87 L93 C94 V183 A184 P190 Y549	E86-Y90 HydrophobicContact CG-CD2 3.79Å; E86-Y90 HydrophobicContact CG-CE2 3.55Å; E86-Y90 VanDerWaalsContact O-CD2 3.24Å; E86-Y90 WeakPolarHBondContact O-CD2 3.5Å; E86-Y90 PolarHBondContact O-N 3.19Å; K87-Y90 PolarHBondContact O-N 3.49Å; Y90-L93 PolarHBondContact O-N 3.3Å; Y90-C94 WeakPolarHBondContact O-CB 3.27Å; Y90-C94 PolarHBondContact O-N 2.84Å; Y90-C94 PolarHBondContact O-SG 2.98Å; Y90-V183 HydrophobicContact CD1-CB 4Å; Y90-V183 HydrophobicContact CD1-CG1 3.56Å; Y90-V183 HydrophobicContact CD2-CG1 3.83Å; Y90-V183 HydrophobicContact CE1-CB 3.38Å; Y90-V183 HydrophobicContact CE1-CG1 3.37Å; Y90-V183 HydrophobicContact CE1-CG2 4.16Å; Y90-V183 HydrophobicContact CE2-CB 4.27Å; Y90-V183 HydrophobicContact CE2-CG1 3.65Å; Y90-V183 HydrophobicContact CG-CG1 3.8Å; Y90-V183 VanDerWaalsContact CZ-CG1 3.42Å; Y90-A184 HydrophobicContact CD1-CB 4.36Å; Y90-P190 HydrophobicContact CE2-CB 3.87Å; Y90-P190 HydrophobicContact CE2-CG 4.12Å; Y90-Y549 HydrophobicContact CD2-CD1 4.45Å; Y90-Y549 AromaticContact CD2-CE1 3.61Å; Y90-Y549 HydrophobicContact CD2-CE1 3.61Å; Y90-Y549 AromaticContact CD2-CZ 3.97Å; Y90-Y549 HydrophobicContact CE2-CE1 4.48Å; Y90-Y549 AromaticContact CG-CE1 3.93Å; Y90-Y549 HydrophobicContact CG-CE1 3.93Å
91	R	97.7	Very high	95.3	Very high	12 Å²	12	29.5 Å²	29.5	5%	0.045	14%	0.14	C	C	.	.	H	α-helix	trans	-57.7	-53.2	171	-176.1	178.2	-166	102.1	29	111.1	Q55 K87 L88 F89 L93 C94 E95 Y551 E552	Q55-R91 VanDerWaalsContact NE2-CZ 3.32Å; K87-R91 WeakPolarHBondContact O-CB 3.35Å; K87-R91 PolarHBondContact O-N 2.8Å; L88-R91 PolarHBondContact O-N 3.42Å; F89-R91 VanDerWaalsContact C-N 3.33Å; F89-R91 PolarHBondContact O-N 3.43Å; R91-L93 VanDerWaalsContact C-N 3.32Å; R91-L93 PolarHBondContact O-N 2.92Å; R91-C94 PolarHBondContact O-N 2.92Å; R91-E95 HydrophobicContact CG-CG 4.36Å; R91-E95 WeakPolarHBondContact CG-OE1 3.41Å; R91-E95 IonicContact CZ-OE1 2.61Å; R91-E95 IonicContact NE-OE1 2.71Å; R91-E95 PolarHBondContact NE-OE1 3.46Å; R91-E95 IonicContact NE-OE2 2.59Å; R91-E95 IonicContact NH2-OE1 3.89Å; R91-E95 PolarHBondContact NH2-OE1 3.11Å; R91-E95 WeakPolarHBondContact O-CB 3.24Å; R91-E95 WeakPolarHBondContact O-CG 3.44Å; R91-E95 PolarHBondContact O-N 3.2Å; R91-Y551 HydrophobicContact CB-CD2 3.86Å; R91-Y551 HydrophobicContact CB-CE2 4.45Å; R91-Y551 HydrophobicContact CB-CG 4.25Å; R91-Y551 HydrophobicContact CG-CD2 3.95Å; R91-Y551 HydrophobicContact CG-CE2 4.1Å; R91-E552 IonicContact CZ-OE1 3.31Å; R91-E552 IonicContact NH1-OE1 3.97Å; R91-E552 PolarHBondContact NH1-OE1 3.26Å; R91-E552 IonicContact NH1-OE2 3.67Å; R91-E552 PolarHBondContact NH1-OE2 2.85Å; R91-E552 IonicContact NH2-OE1 2.64Å; R91-E552 PolarHBondContact NH2-OE1 2.91Å
92	V	97.7	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-43.8	-179.3	168.8	0	0	0	0	111.1	A58 I61 I62 L65 L78 L88 F89 N96 Y100	A58-V92 HydrophobicContact CB-CG2 4.03Å; I61-V92 HydrophobicContact CB-CG2 4.15Å; I61-V92 HydrophobicContact CG2-CG1 4.23Å; I61-V92 HydrophobicContact CG2-CG2 3.94Å; I62-V92 HydrophobicContact CG1-CG1 4.26Å; L65-V92 HydrophobicContact CD1-CG1 4.22Å; L78-V92 HydrophobicContact CD2-CG1 4.45Å; L88-V92 HydrophobicContact CD1-CG2 4.35Å; L88-V92 WeakPolarHBondContact O-CG2 3.28Å; L88-V92 PolarHBondContact O-N 2.79Å; F89-V92 PolarHBondContact O-N 3.03Å; V92-N96 WeakPolarHBondContact O-CB 3.39Å; V92-N96 PolarHBondContact O-N 3.08Å; V92-N96 PolarHBondContact O-ND2 2.99Å; V92-Y100 HydrophobicContact CG1-CD2 3.89Å; V92-Y100 HydrophobicContact CG1-CE2 3.83Å
93	L	95.9	Very high	94.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-68.5	-46.4	179.6	-177.7	57.2	0	0	0	112.5	F89 Y90 R91 N96 V97 V104 A184	F89-L93 HydrophobicContact CE1-CD2 4.35Å; F89-L93 HydrophobicContact CZ-CD2 4.1Å; F89-L93 PolarHBondContact O-N 2.94Å; Y90-L93 PolarHBondContact O-N 3.3Å; R91-L93 VanDerWaalsContact C-N 3.32Å; R91-L93 PolarHBondContact O-N 2.92Å; L93-N96 CarbonylContact O-C 3.5Å; L93-N96 PolarHBondContact O-N 3.17Å; L93-V97 VanDerWaalsContact O-CA 3.25Å; L93-V97 WeakPolarHBondContact O-CA 3.43Å; L93-V97 PolarHBondContact O-N 2.85Å; L93-V97 VanDerWaalsContact O-N 3.07Å; L93-V104 HydrophobicContact CD1-CG1 4.22Å; L93-V104 HydrophobicContact CD1-CG2 3.89Å; L93-V104 HydrophobicContact CD2-CG1 4.36Å; L93-V104 HydrophobicContact CD2-CG2 4.02Å; L93-A184 HydrophobicContact CD2-CB 3.53Å; L93-A184 HydrophobicContact CG-CB 3.8Å
94	C	94.6	Very high	94.8	Very high	27 Å²	27	29.7 Å²	29.7	18%	0.182	15%	0.145	C	C	.	.	H	α-helix	trans	-66.6	-40.7	-178.4	-67.9	0	0	0	0	112.4	Y90 R91 N96 A184 Y551	Y90-C94 WeakPolarHBondContact O-CB 3.27Å; Y90-C94 PolarHBondContact O-N 2.84Å; Y90-C94 PolarHBondContact O-SG 2.98Å; R91-C94 PolarHBondContact O-N 2.92Å; C94-N96 PolarHBondContact O-N 3.42Å; C94-A184 PolarHBondContact SG-O 3.12Å; C94-Y551 HydrophobicContact CB-CD1 3.89Å; C94-Y551 HydrophobicContact CB-CE1 3.47Å; C94-Y551 VanDerWaalsContact CB-CE1 3.47Å
95	E	93.6	Very high	94.5	Very high	80 Å²	80	25.2 Å²	25.2	37%	0.374	13%	0.128	S	C	.	.	H	α-helix	trans	-74.2	-14.5	-179.3	-68.5	178.4	174.4	0	0	112.8	R91	R91-E95 HydrophobicContact CG-CG 4.36Å; R91-E95 WeakPolarHBondContact CG-OE1 3.41Å; R91-E95 IonicContact CZ-OE1 2.61Å; R91-E95 IonicContact NE-OE1 2.71Å; R91-E95 PolarHBondContact NE-OE1 3.46Å; R91-E95 IonicContact NE-OE2 2.59Å; R91-E95 IonicContact NH2-OE1 3.89Å; R91-E95 PolarHBondContact NH2-OE1 3.11Å; R91-E95 WeakPolarHBondContact O-CB 3.24Å; R91-E95 WeakPolarHBondContact O-CG 3.44Å; R91-E95 PolarHBondContact O-N 3.2Å
96	N	93.8	Very high	93.7	Very high	45 Å²	45	27.4 Å²	27.4	24%	0.241	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.4	42.8	-174.6	-55.3	-92.9	0	0	0	111.5	V92 L93 C94 D98 K99 Y100	V92-N96 WeakPolarHBondContact O-CB 3.39Å; V92-N96 PolarHBondContact O-N 3.08Å; V92-N96 PolarHBondContact O-ND2 2.99Å; L93-N96 CarbonylContact O-C 3.5Å; L93-N96 PolarHBondContact O-N 3.17Å; C94-N96 PolarHBondContact O-N 3.42Å; N96-D98 VanDerWaalsContact C-N 3.32Å; N96-D98 PolarHBondContact O-N 3.16Å; N96-K99 HydrophobicContact CB-CB 4.46Å; N96-K99 PolarHBondContact O-N 2.81Å; N96-Y100 HydrophobicContact CB-CD2 3.59Å; N96-Y100 HydrophobicContact CB-CE2 3.71Å; N96-Y100 PolarHBondContact O-N 3.28Å
97	V	89.8	Confident	93.2	Very high	14 Å²	14	30.8 Å²	30.8	9%	0.085	17%	0.165	C	C	.	.	H	α-helix	trans	-55.8	-44.8	-170	73.2	0	0	0	0	112.5	L93 K99 Y100 M101 L185 W507	L93-V97 VanDerWaalsContact O-CA 3.25Å; L93-V97 WeakPolarHBondContact O-CA 3.43Å; L93-V97 PolarHBondContact O-N 2.85Å; L93-V97 VanDerWaalsContact O-N 3.07Å; V97-K99 PolarHBondContact O-N 2.92Å; V97-Y100 PolarHBondContact O-N 3.36Å; V97-M101 HydrophobicContact CG2-CB 4.2Å; V97-M101 WeakPolarHBondContact O-CA 3.2Å; V97-M101 WeakPolarHBondContact O-CB 3.09Å; V97-M101 PolarHBondContact O-N 3.09Å; V97-L185 HydrophobicContact CG2-CD2 3.46Å; V97-L185 VanDerWaalsContact CG2-CD2 3.46Å; V97-W507 HydrophobicContact CG1-CB 4.49Å
98	D	85	Confident	92.9	Very high	103 Å²	103	30.4 Å²	30.4	55%	0.551	17%	0.165	S	C	*	.	H	α-helix	trans	-60.9	-33	-178.6	-62.7	-36.8	0	0	0	112.4	N96 P102 W507	N96-D98 VanDerWaalsContact C-N 3.32Å; N96-D98 PolarHBondContact O-N 3.16Å; D98-P102 WeakPolarHBondContact O-CD 3.43Å; D98-W507 WeakPolarHBondContact OD1-CB 3.48Å
99	K	90.6	Very high	92.7	Very high	98 Å²	98	30.1 Å²	30.1	43%	0.426	16%	0.163	S	C	.	.	H	α-helix	trans	-84.8	-41.7	-176	-170.1	176.1	-178.9	-179.1	0	112.6	D66 N96 V97	D66-K99 WeakPolarHBondContact OD1-CE 3.42Å; D66-K99 IonicContact OD1-NZ 3.22Å; D66-K99 PolarHBondContact OD1-NZ 2.92Å; D66-K99 IonicContact OD2-NZ 2.7Å; D66-K99 PolarHBondContact OD2-NZ 3.39Å; N96-K99 HydrophobicContact CB-CB 4.46Å; N96-K99 PolarHBondContact O-N 2.81Å; V97-K99 PolarHBondContact O-N 2.92Å
100	Y	94.2	Very high	92.2	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-105.2	-14.6	-172.1	-60.7	-54.5	0	0	0	114.5	I62 L65 D66 L78 V92 N96 V97 I103 V104	I62-Y100 HydrophobicContact CG1-CE2 4.14Å; L65-Y100 HydrophobicContact CB-CE1 4.11Å; L65-Y100 HydrophobicContact CD1-CD1 4.34Å; L65-Y100 HydrophobicContact CD1-CE1 3.77Å; L65-Y100 HydrophobicContact CD1-CE2 4.32Å; D66-Y100 PolarHBondContact OD1-OH 3.07Å; D66-Y100 VanDerWaalsContact OD1-OH 3.14Å; L78-Y100 HydrophobicContact CD1-CD1 4.27Å; L78-Y100 HydrophobicContact CD1-CG 4.48Å; V92-Y100 HydrophobicContact CG1-CD2 3.89Å; V92-Y100 HydrophobicContact CG1-CE2 3.83Å; N96-Y100 HydrophobicContact CB-CD2 3.59Å; N96-Y100 HydrophobicContact CB-CE2 3.71Å; N96-Y100 PolarHBondContact O-N 3.28Å; V97-Y100 PolarHBondContact O-N 3.36Å; Y100-I103 HydrophobicContact CD1-CG1 4.28Å; Y100-I103 WeakPolarHBondContact O-CB 3.47Å; Y100-I103 PolarHBondContact O-N 3.29Å; Y100-V104 PolarHBondContact O-N 3.49Å
101	M	91.9	Very high	91.9	Very high	15 Å²	15	33.1 Å²	33.1	7%	0.074	18%	0.181	C	C	.	.	H	α-helix	trans	-55.8	-45.5	170.9	-179.1	-177	73.2	0	0	112.2	V97 I103 V104 Y105 L181 L185 W507	V97-M101 HydrophobicContact CG2-CB 4.2Å; V97-M101 WeakPolarHBondContact O-CA 3.2Å; V97-M101 WeakPolarHBondContact O-CB 3.09Å; V97-M101 PolarHBondContact O-N 3.09Å; M101-I103 PolarHBondContact O-N 3.18Å; M101-V104 PolarHBondContact O-N 3.41Å; M101-Y105 PolarHBondContact O-N 2.83Å; M101-L181 HydrophobicContact CG-CD1 4.42Å; M101-L181 HydrophobicContact CG-CD2 3.88Å; M101-L185 HydrophobicContact SD-CD1 4.48Å; M101-W507 HydrophobicContact CE-CH2 3.96Å; M101-W507 HydrophobicContact CE-CZ2 4.01Å; M101-W507 HydrophobicContact CE-CZ3 4.31Å; M101-W507 HydrophobicContact SD-CH2 4.12Å; M101-W507 HydrophobicContact SD-CZ3 4.06Å
102	P	90.8	Very high	91.7	Very high	44 Å²	44	32.6 Å²	32.6	29%	0.286	18%	0.179	S	C	.	.	H	α-helix	trans	-65.3	-20.6	177.5	-20.7	34.3	0	0	0	113.8	D98 Y105 T106 P107 T108	D98-P102 WeakPolarHBondContact O-CD 3.43Å; P102-Y105 VanDerWaalsContact O-O 3.1Å; P102-T106 WeakPolarHBondContact CA-O 2.95Å; P102-T106 CarbonylContact O-C 3.55Å; P102-P107 WeakPolarHBondContact O-CD 3.36Å; P102-T108 VanDerWaalsContact O-CB 3.31Å; P102-T108 WeakPolarHBondContact O-CB 3.41Å; P102-T108 PolarHBondContact O-N 3.28Å; P102-T108 PolarHBondContact O-OG1 2.82Å; P102-T108 VanDerWaalsContact O-OG1 3.04Å
103	I	95.2	Very high	91.5	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-82.8	-48.1	178.2	-51.2	-59.9	0	0	0	110.7	D71 R74 Y75 L78 Y100 M101 T108	D71-I103 HydrophobicContact CB-CD1 3.67Å; D71-I103 WeakPolarHBondContact OD1-CD1 3.47Å; R74-I103 HydrophobicContact CB-CG2 3.76Å; Y75-I103 VanDerWaalsContact CD2-O 3.32Å; Y75-I103 WeakPolarHBondContact CD2-O 3.48Å; L78-I103 HydrophobicContact CD1-CB 4.13Å; L78-I103 HydrophobicContact CD1-CG2 3.73Å; Y100-I103 HydrophobicContact CD1-CG1 4.28Å; Y100-I103 WeakPolarHBondContact O-CB 3.47Å; Y100-I103 PolarHBondContact O-N 3.29Å; M101-I103 PolarHBondContact O-N 3.18Å; I103-T108 HydrophobicContact CG2-CG2 4.46Å; I103-T108 WeakPolarHBondContact O-CB 3.38Å
104	V	94.5	Very high	91.3	Very high	8 Å²	8	37 Å²	37	5%	0.048	20%	0.2	C	C	.	.	H	α-helix	trans	-77	-23.1	-177.6	-59	0	0	0	0	113.3	L78 F89 L93 Y100 M101 L181	L78-V104 HydrophobicContact CD1-CG1 3.74Å; F89-V104 HydrophobicContact CE2-CG1 4.21Å; F89-V104 HydrophobicContact CZ-CG1 4.27Å; L93-V104 HydrophobicContact CD1-CG1 4.22Å; L93-V104 HydrophobicContact CD1-CG2 3.89Å; L93-V104 HydrophobicContact CD2-CG1 4.36Å; L93-V104 HydrophobicContact CD2-CG2 4.02Å; Y100-V104 PolarHBondContact O-N 3.49Å; M101-V104 PolarHBondContact O-N 3.41Å; V104-L181 HydrophobicContact CG2-CD2 3.95Å
105	Y	90.4	Very high	91.1	Very high	13 Å²	13	39.9 Å²	39.9	5%	0.051	21%	0.209	C	C	.	.	S	Bend	trans	-128.8	-146.2	176.8	-161.4	-121.2	0	0	0	110.5	M101 P102 T108 V109 I174 K178 L181 E250	M101-Y105 PolarHBondContact O-N 2.83Å; P102-Y105 VanDerWaalsContact O-O 3.1Å; Y105-T108 PolarHBondContact O-N 2.96Å; Y105-T108 VanDerWaalsContact O-N 3.13Å; Y105-V109 HydrophobicContact CD2-CG1 3.95Å; Y105-V109 HydrophobicContact CE2-CG1 4.31Å; Y105-V109 HydrophobicContact CG-CG1 4.44Å; Y105-V109 WeakPolarHBondContact O-CB 3.47Å; Y105-V109 VanDerWaalsContact O-CG1 3.3Å; Y105-V109 WeakPolarHBondContact O-CG1 3.35Å; Y105-V109 PolarHBondContact O-N 3.05Å; Y105-I174 HydrophobicContact CE2-CD1 4.45Å; Y105-I174 HydrophobicContact CE2-CG2 4.33Å; Y105-K178 HydrophobicContact CE1-CD 4.09Å; Y105-K178 HydrophobicContact CE2-CB 4.46Å; Y105-K178 HydrophobicContact CE2-CD 4.01Å; Y105-K178 HydrophobicContact CE2-CG 3.7Å; Y105-K178 WeakPolarHBondContact OH-CE 3.36Å; Y105-L181 HydrophobicContact CD1-CD1 3.68Å; Y105-L181 HydrophobicContact CG-CD1 3.71Å; Y105-L181 HydrophobicContact CG-CG 4.48Å; Y105-E250 PolarHBondContact OH-OE1 3.42Å
106	T	82.4	Confident	91	Very high	51 Å²	51	37.2 Å²	37.2	31%	0.313	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	135	-178.4	51.8	0	0	0	0	111.4	P102 V109	P102-T106 WeakPolarHBondContact CA-O 2.95Å; P102-T106 CarbonylContact O-C 3.55Å; T106-V109 HydrophobicContact CG2-CG1 4.33Å
107	P	86.4	Confident	90.6	Very high	93 Å²	93	35.9 Å²	35.9	60%	0.604	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	cis	-92.8	-18.4	8.8	34.7	-34.7	0	0	0	115.2	P102 V109 G110	P102-P107 WeakPolarHBondContact O-CD 3.36Å; P107-V109 VanDerWaalsContact C-N 3.35Å; P107-V109 PolarHBondContact O-N 2.87Å; P107-G110 PolarHBondContact O-N 2.87Å; P107-G110 VanDerWaalsContact O-N 3.15Å
108	T	92.8	Very high	90.4	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-33.4	-167.7	-56.8	0	0	0	0	113.5	D71 P102 I103 Y105 G110 L111 A112	D71-T108 HydrophobicContact CB-CG2 3.82Å; D71-T108 WeakPolarHBondContact O-CG2 3.36Å; P102-T108 VanDerWaalsContact O-CB 3.31Å; P102-T108 WeakPolarHBondContact O-CB 3.41Å; P102-T108 PolarHBondContact O-N 3.28Å; P102-T108 PolarHBondContact O-OG1 2.82Å; P102-T108 VanDerWaalsContact O-OG1 3.04Å; I103-T108 HydrophobicContact CG2-CG2 4.46Å; I103-T108 WeakPolarHBondContact O-CB 3.38Å; Y105-T108 PolarHBondContact O-N 2.96Å; Y105-T108 VanDerWaalsContact O-N 3.13Å; T108-G110 PolarHBondContact O-N 3.27Å; T108-L111 WeakPolarHBondContact O-CB 3.47Å; T108-L111 PolarHBondContact O-N 3.23Å; T108-L111 VanDerWaalsContact O-N 3.1Å; T108-A112 PolarHBondContact O-N 2.91Å
109	V	92.8	Very high	90.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-32.7	176.6	71.9	0	0	0	0	112.4	Y75 Y105 T106 P107 A112 C113 G173 I174	Y75-V109 HydrophobicContact CE2-CB 4.43Å; Y75-V109 HydrophobicContact CE2-CG2 4.16Å; Y105-V109 HydrophobicContact CD2-CG1 3.95Å; Y105-V109 HydrophobicContact CE2-CG1 4.31Å; Y105-V109 HydrophobicContact CG-CG1 4.44Å; Y105-V109 WeakPolarHBondContact O-CB 3.47Å; Y105-V109 VanDerWaalsContact O-CG1 3.3Å; Y105-V109 WeakPolarHBondContact O-CG1 3.35Å; Y105-V109 PolarHBondContact O-N 3.05Å; T106-V109 HydrophobicContact CG2-CG1 4.33Å; P107-V109 VanDerWaalsContact C-N 3.35Å; P107-V109 PolarHBondContact O-N 2.87Å; V109-A112 WeakPolarHBondContact O-CB 3.29Å; V109-A112 PolarHBondContact O-N 3.43Å; V109-C113 PolarHBondContact O-N 2.93Å; V109-C113 PolarHBondContact O-SG 3.46Å; V109-G173 WeakPolarHBondContact CG2-O 3.49Å; V109-I174 HydrophobicContact CG1-CD1 3.63Å; V109-I174 HydrophobicContact CG2-CD1 4.16Å
110	G	88.6	Confident	90.5	Very high	6 Å²	6	37.2 Å²	37.2	6%	0.062	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-44	177.1	0	0	0	0	0	111.6	P107 T108 A112 C113 Q114 L164	P107-G110 PolarHBondContact O-N 2.87Å; P107-G110 VanDerWaalsContact O-N 3.15Å; T108-G110 PolarHBondContact O-N 3.27Å; G110-A112 VanDerWaalsContact C-N 3.31Å; G110-A112 PolarHBondContact O-N 3.06Å; G110-C113 WeakPolarHBondContact O-CB 3.3Å; G110-C113 PolarHBondContact O-N 2.87Å; G110-Q114 PolarHBondContact O-N 3.4Å; G110-L164 VanDerWaalsContact O-CD1 3.29Å; G110-L164 WeakPolarHBondContact O-CD1 3.45Å
111	L	90.7	Very high	90.2	Very high	68 Å²	68	40.2 Å²	40.2	36%	0.356	21%	0.214	S	C	.	.	H	α-helix	trans	-62.6	-39.2	173	177.3	62.4	0	0	0	111.6	L72 T108 C113 Q114 K115	L72-L111 HydrophobicContact CB-CD2 4.16Å; L72-L111 HydrophobicContact CD1-CG 4.47Å; T108-L111 WeakPolarHBondContact O-CB 3.47Å; T108-L111 PolarHBondContact O-N 3.23Å; T108-L111 VanDerWaalsContact O-N 3.1Å; L111-C113 VanDerWaalsContact C-N 3.34Å; L111-Q114 PolarHBondContact O-N 3.07Å; L111-K115 PolarHBondContact O-N 3.23Å
112	A	93.3	Very high	90.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-41.4	173.8	0	0	0	0	0	111.6	L72 Y75 T108 V109 G110 K115 F116 I119	L72-A112 HydrophobicContact CD1-CB 4.12Å; Y75-A112 HydrophobicContact CD1-CB 3.57Å; Y75-A112 HydrophobicContact CD2-CB 4.26Å; Y75-A112 HydrophobicContact CE1-CB 3.38Å; Y75-A112 HydrophobicContact CE2-CB 4.08Å; Y75-A112 HydrophobicContact CG-CB 4.02Å; T108-A112 PolarHBondContact O-N 2.91Å; V109-A112 WeakPolarHBondContact O-CB 3.29Å; V109-A112 PolarHBondContact O-N 3.43Å; G110-A112 VanDerWaalsContact C-N 3.31Å; G110-A112 PolarHBondContact O-N 3.06Å; A112-K115 CarbonylContact O-C 3.31Å; A112-K115 VanDerWaalsContact O-C 3.31Å; A112-K115 PolarHBondContact O-N 2.98Å; A112-K115 VanDerWaalsContact O-N 3.13Å; A112-F116 VanDerWaalsContact O-CA 3.29Å; A112-F116 WeakPolarHBondContact O-CA 3.38Å; A112-F116 PolarHBondContact O-N 3.43Å; A112-I119 HydrophobicContact CB-CD1 3.83Å
113	C	93.4	Very high	90	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-41.7	174.6	-66.5	0	0	0	0	111.5	V109 G110 L111 K115 F116 L167 N170	V109-C113 PolarHBondContact O-N 2.93Å; V109-C113 PolarHBondContact O-SG 3.46Å; G110-C113 WeakPolarHBondContact O-CB 3.3Å; G110-C113 PolarHBondContact O-N 2.87Å; L111-C113 VanDerWaalsContact C-N 3.34Å; C113-K115 PolarHBondContact O-N 3.11Å; C113-K115 VanDerWaalsContact O-N 3.11Å; C113-F116 WeakPolarHBondContact O-CB 3.46Å; C113-F116 PolarHBondContact O-N 2.96Å; C113-F116 VanDerWaalsContact O-N 3.14Å; C113-L167 HydrophobicContact CB-CD1 3.56Å; C113-N170 WeakPolarHBondContact CB-O 3.34Å; C113-N170 WeakPolarHBondContact O-CB 3.44Å; C113-N170 PolarHBondContact SG-O 2.67Å; C113-N170 VanDerWaalsContact SG-O 3.39Å
114	Q	91.8	Very high	89.8	Confident	95 Å²	95	48.9 Å²	48.9	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-59.6	-27.5	175.2	-70.2	-179.3	-55.3	0	0	113.1	G110 L111 L164 L167	G110-Q114 PolarHBondContact O-N 3.4Å; L111-Q114 PolarHBondContact O-N 3.07Å; Q114-L164 HydrophobicContact CG-CD1 4.15Å; Q114-L167 HydrophobicContact CG-CD1 4.05Å; Q114-L167 HydrophobicContact CG-CD2 4.07Å
115	K	91.8	Very high	89.9	Confident	87 Å²	87	49 Å²	49	38%	0.378	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	12.4	179.8	-62.9	-173.5	176.8	-168.4	0	113.5	L72 L111 A112 C113 G117 Q118 I119	L72-K115 HydrophobicContact CD2-CD 3.6Å; L111-K115 PolarHBondContact O-N 3.23Å; A112-K115 CarbonylContact O-C 3.31Å; A112-K115 VanDerWaalsContact O-C 3.31Å; A112-K115 PolarHBondContact O-N 2.98Å; A112-K115 VanDerWaalsContact O-N 3.13Å; C113-K115 PolarHBondContact O-N 3.11Å; C113-K115 VanDerWaalsContact O-N 3.11Å; K115-G117 VanDerWaalsContact C-N 3.34Å; K115-G117 PolarHBondContact O-N 2.86Å; K115-Q118 WeakPolarHBondContact O-CA 3.34Å; K115-Q118 WeakPolarHBondContact O-CB 3.49Å; K115-Q118 PolarHBondContact O-N 3.32Å; K115-I119 HydrophobicContact CB-CG2 4.39Å; K115-I119 WeakPolarHBondContact O-CG1 3.3Å; K115-I119 PolarHBondContact O-N 2.88Å; K115-I119 VanDerWaalsContact O-N 3.1Å
116	F	90.2	Very high	90.2	Very high	23 Å²	23	48.9 Å²	48.9	10%	0.101	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-43.2	-164.1	-159.9	-93.8	0	0	0	113.1	A112 C113 Q118 I119 L120 Y127 N170 M172	A112-F116 VanDerWaalsContact O-CA 3.29Å; A112-F116 WeakPolarHBondContact O-CA 3.38Å; A112-F116 PolarHBondContact O-N 3.43Å; C113-F116 WeakPolarHBondContact O-CB 3.46Å; C113-F116 PolarHBondContact O-N 2.96Å; C113-F116 VanDerWaalsContact O-N 3.14Å; F116-Q118 PolarHBondContact O-N 2.78Å; F116-I119 CarbonylContact O-C 3.59Å; F116-I119 PolarHBondContact O-N 2.86Å; F116-L120 HydrophobicContact CD1-CD1 4.05Å; F116-L120 HydrophobicContact CE1-CD1 3.55Å; F116-L120 HydrophobicContact CZ-CD1 4.36Å; F116-L120 PolarHBondContact O-N 3.42Å; F116-Y127 WeakPolarHBondContact CE1-OH 3.45Å; F116-N170 HydrophobicContact CB-CB 3.57Å; F116-N170 HydrophobicContact CG-CB 4.33Å; F116-M172 HydrophobicContact CE1-CB 4.1Å; F116-M172 HydrophobicContact CE2-CB 4.3Å; F116-M172 HydrophobicContact CZ-CB 3.76Å; F116-M172 HydrophobicContact CZ-CG 3.94Å
117	G	85.3	Confident	91	Very high	17 Å²	17	50.1 Å²	50.1	18%	0.175	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32	176.6	0	0	0	0	0	113.7	K115	K115-G117 VanDerWaalsContact C-N 3.34Å; K115-G117 PolarHBondContact O-N 2.86Å
118	Q	87.7	Confident	91.6	Very high	127 Å²	127	45.7 Å²	45.7	59%	0.593	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-31.7	178.9	-62.1	177.3	-6.9	0	0	112.9	K115 F116	K115-Q118 WeakPolarHBondContact O-CA 3.34Å; K115-Q118 WeakPolarHBondContact O-CB 3.49Å; K115-Q118 PolarHBondContact O-N 3.32Å; F116-Q118 PolarHBondContact O-N 2.78Å
119	I	89.7	Confident	91.8	Very high	27 Å²	27	46.2 Å²	46.2	14%	0.138	24%	0.235	C	C	.	.	S	Bend	trans	-103.2	15.1	-176.2	69.6	173.9	0	0	0	112.8	L72 Y75 M76 A112 K115 F116 Q121	L72-I119 HydrophobicContact CD1-CD1 4.05Å; Y75-I119 HydrophobicContact CD1-CD1 4.35Å; Y75-I119 HydrophobicContact CE1-CD1 4.17Å; M76-I119 HydrophobicContact CE-CB 4.22Å; M76-I119 HydrophobicContact CE-CG2 4.16Å; M76-I119 HydrophobicContact CG-CB 4.44Å; M76-I119 HydrophobicContact CG-CD1 4.47Å; M76-I119 HydrophobicContact SD-CB 4.23Å; M76-I119 HydrophobicContact SD-CG2 3.85Å; A112-I119 HydrophobicContact CB-CD1 3.83Å; K115-I119 HydrophobicContact CB-CG2 4.39Å; K115-I119 WeakPolarHBondContact O-CG1 3.3Å; K115-I119 PolarHBondContact O-N 2.88Å; K115-I119 VanDerWaalsContact O-N 3.1Å; F116-I119 CarbonylContact O-C 3.59Å; F116-I119 PolarHBondContact O-N 2.86Å; I119-Q121 WeakPolarHBondContact O-CG 3.47Å; I119-Q121 PolarHBondContact O-N 3.24Å
120	L	87.1	Confident	91.9	Very high	89 Å²	89	46.4 Å²	46.4	47%	0.466	24%	0.236	S	C	.	.			trans	-56.5	120.9	-176.1	-170.3	69.9	0	0	0	110.5	F116 T214	F116-L120 HydrophobicContact CD1-CD1 4.05Å; F116-L120 HydrophobicContact CE1-CD1 3.55Å; F116-L120 HydrophobicContact CZ-CD1 4.36Å; F116-L120 PolarHBondContact O-N 3.42Å; L120-T214 HydrophobicContact CD2-CG2 4.42Å
121	Q	86.9	Confident	92.3	Very high	66 Å²	66	50.4 Å²	50.4	31%	0.308	25%	0.253	S	S	.	.			trans	-107.1	-146.7	176.6	-66	-174.3	-8.6	0	0	109.8	M76 I119	M76-Q121 PolarHBondContact O-NE2 2.9Å; I119-Q121 WeakPolarHBondContact O-CG 3.47Å; I119-Q121 PolarHBondContact O-N 3.24Å
122	K	90.5	Very high	92.6	Very high	110 Å²	110	49 Å²	49	48%	0.478	25%	0.246	S	C	.	.	S	Bend	trans	-60.8	140.1	172.7	-70.3	-170.6	-179.3	176.2	0	109.7	D83 K124	D83-K122 HydrophobicContact CB-CD 4.12Å; K122-K124 PolarHBondContact O-N 2.93Å
123	P	88.9	Confident	92.6	Very high	108 Å²	108	52.3 Å²	52.3	70%	0.701	26%	0.26	S	S	*	.			trans	-59	131.3	171.5	-22.8	33.2	0	0	0	110.8
124	K	90.7	Very high	92.8	Very high	31 Å²	31	54.5 Å²	54.5	14%	0.135	28%	0.276	C	S	.	.			trans	-118.9	5.1	-177.9	-69	-178	-172.5	-112.8	0	114.2	T79 D83 K122 W145 V176 P195	T79-K124 HydrophobicContact CG2-CD 4.27Å; T79-K124 PolarHBondContact O-NZ 2.93Å; D83-K124 VanDerWaalsContact CG-CE 3.46Å; D83-K124 WeakPolarHBondContact OD1-CE 3.45Å; D83-K124 IonicContact OD1-NZ 3.69Å; D83-K124 PolarHBondContact OD1-NZ 2.83Å; D83-K124 VanDerWaalsContact OD2-CE 3.24Å; D83-K124 WeakPolarHBondContact OD2-CE 3.3Å; D83-K124 IonicContact OD2-NZ 3.02Å; D83-K124 PolarHBondContact OD2-NZ 3.35Å; K122-K124 PolarHBondContact O-N 2.93Å; K124-W145 WeakPolarHBondContact O-CH2 3.44Å; K124-V176 HydrophobicContact CB-CG1 4.46Å; K124-V176 HydrophobicContact CB-CG2 3.86Å; K124-V176 HydrophobicContact CD-CG1 3.98Å; K124-P195 WeakPolarHBondContact O-CD 3.4Å; K124-P195 WeakPolarHBondContact O-CG 3.39Å
125	G	96.2	Very high	93.1	Very high	9 Å²	9	51.6 Å²	51.6	9%	0.093	26%	0.264	C	S	.	.	S	Bend	trans	-161.7	-172.7	-177	0	0	0	0	0	111	P195	G125-P195 CarbonylContact C-O 3.53Å; G125-P195 WeakPolarHBondContact CA-O 3.38Å
126	V	97.9	Very high	93.4	Very high	11 Å²	11	51.9 Å²	51.9	7%	0.067	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134	-174.9	170.4	0	0	0	0	110	I128 I141 L142 W145 M172 L194 P195 V196 V197	V126-I128 HydrophobicContact CG1-CD1 4.34Å; V126-I128 HydrophobicContact CG1-CG1 3.91Å; V126-I141 HydrophobicContact CG1-CG2 3.31Å; V126-L142 HydrophobicContact CG1-CD2 4.39Å; V126-W145 HydrophobicContact CG2-CD2 4.46Å; V126-W145 HydrophobicContact CG2-CE3 3.87Å; V126-M172 WeakPolarHBondContact O-CE 3.29Å; V126-L194 HydrophobicContact CB-CD1 4.3Å; V126-L194 HydrophobicContact CG2-CD1 3.75Å; V126-P195 PolarHBondContact N-O 3.37Å; V126-V196 HydrophobicContact CB-CG2 4.49Å; V126-V196 WeakPolarHBondContact O-CA 3.21Å; V126-V197 PolarHBondContact O-N 3.49Å
127	Y	97.8	Very high	93.8	Very high	77 Å²	77	57.6 Å²	57.6	30%	0.302	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.3	175	-61.1	-96	0	0	0	108.6	F116 A169 M172 V197	F116-Y127 WeakPolarHBondContact CE1-OH 3.45Å; Y127-A169 HydrophobicContact CD1-CB 4.47Å; Y127-A169 HydrophobicContact CE1-CB 4.39Å; Y127-M172 HydrophobicContact CD1-CE 3.93Å; Y127-M172 HydrophobicContact CD2-CE 3.94Å; Y127-M172 HydrophobicContact CE1-CB 3.98Å; Y127-M172 HydrophobicContact CE1-CE 3.66Å; Y127-M172 HydrophobicContact CE1-CG 4.33Å; Y127-M172 HydrophobicContact CE2-CE 3.66Å; Y127-M172 HydrophobicContact CG-CE 4.07Å; Y127-M172 WeakPolarHBondContact OH-CB 3.15Å; Y127-M172 WeakPolarHBondContact OH-CG 3.46Å; Y127-V197 HydrophobicContact CD1-CB 4.11Å; Y127-V197 HydrophobicContact CE1-CB 4.44Å
128	I	98.6	Very high	94.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	111.3	178.8	-57.4	167.3	0	0	0	106.6	V126 D132 I138 I141 L142 V196 V197 L198 D199 L229 F233	V126-I128 HydrophobicContact CG1-CD1 4.34Å; V126-I128 HydrophobicContact CG1-CG1 3.91Å; I128-D132 HydrophobicContact CG2-CB 4.19Å; I128-I138 HydrophobicContact CD1-CG2 3.76Å; I128-I138 HydrophobicContact CG1-CG2 4.48Å; I128-I138 HydrophobicContact CG2-CD1 4.13Å; I128-I138 HydrophobicContact CG2-CG1 3.81Å; I128-I138 HydrophobicContact CG2-CG2 4.34Å; I128-I141 HydrophobicContact CG1-CG2 4.31Å; I128-L142 HydrophobicContact CD1-CD2 4.39Å; I128-V196 HydrophobicContact CD1-CG1 3.79Å; I128-V196 HydrophobicContact CG1-CG1 4.4Å; I128-V197 PolarHBondContact N-O 3.44Å; I128-L198 HydrophobicContact CB-CD2 3.86Å; I128-L198 HydrophobicContact CD1-CD2 4.02Å; I128-L198 HydrophobicContact CG1-CD2 4.47Å; I128-L198 HydrophobicContact CG2-CD2 4.27Å; I128-L198 CarbonylContact O-C 3.55Å; I128-L198 WeakPolarHBondContact O-CA 3.43Å; I128-D199 PolarHBondContact O-N 3.31Å; I128-L229 HydrophobicContact CG2-CD1 4.4Å; I128-F233 HydrophobicContact CD1-CD2 3.48Å; I128-F233 VanDerWaalsContact CD1-CD2 3.48Å; I128-F233 HydrophobicContact CD1-CE2 3.78Å
129	S	97.7	Very high	95	Very high	20 Å²	20	54.1 Å²	54.1	14%	0.14	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	166.7	-175	76.5	0	0	0	0	112.1	H131 D132 D199	S129-H131 PolarHBondContact O-N 3.38Å; S129-H131 WeakPolarHBondContact OG-CB 3.36Å; S129-H131 PolarHBondContact OG-N 2.86Å; S129-H131 VanDerWaalsContact OG-N 3.13Å; S129-D132 WeakPolarHBondContact CA-OD2 3.45Å; S129-D132 WeakPolarHBondContact CB-OD2 3.43Å; S129-D132 PolarHBondContact N-OD2 2.97Å; S129-D132 WeakPolarHBondContact O-CB 3.44Å; S129-D132 PolarHBondContact O-N 2.75Å; S129-D132 PolarHBondContact OG-OD2 2.84Å; S129-D199 CarbonylContact C-O 3.52Å; S129-D199 VanDerWaalsContact CA-O 3.23Å; S129-D199 WeakPolarHBondContact CA-O 3.35Å
130	V	95.7	Very high	95.4	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-12.3	169.1	67.6	0	0	0	0	114.1	D199 V200 V221 K225	V130-D199 PolarHBondContact N-O 3.09Å; V130-V200 HydrophobicContact CB-CB 4.43Å; V130-V200 HydrophobicContact CB-CG1 4.22Å; V130-V221 HydrophobicContact CB-CG2 4.45Å; V130-V221 HydrophobicContact CG1-CG2 4.27Å; V130-V221 HydrophobicContact CG2-CB 3.95Å; V130-V221 HydrophobicContact CG2-CG1 4.03Å; V130-V221 HydrophobicContact CG2-CG2 3.77Å; V130-K225 HydrophobicContact CG2-CD 4.36Å; V130-K225 HydrophobicContact CG2-CG 4.49Å
131	H	96.2	Very high	95.9	Very high	90 Å²	90	55.3 Å²	55.3	42%	0.417	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.1	175.3	-49.1	-71.8	0	0	0	113	S129 F133 R137 E218	S129-H131 PolarHBondContact O-N 3.38Å; S129-H131 WeakPolarHBondContact OG-CB 3.36Å; S129-H131 PolarHBondContact OG-N 2.86Å; S129-H131 VanDerWaalsContact OG-N 3.13Å; H131-F133 VanDerWaalsContact C-N 3.26Å; H131-F133 PolarHBondContact O-N 2.94Å; H131-R137 PolarHBondContact O-NH1 3.49Å; H131-E218 IonicContact CE1-OE1 3.22Å
132	D	96.7	Very high	96.5	Very high	38 Å²	38	52.2 Å²	52.2	20%	0.203	26%	0.26	C	S	.	.			trans	-94.1	27.9	179.1	-57.2	-55.8	0	0	0	112.4	I128 S129 S134 I138 I141	I128-D132 HydrophobicContact CG2-CB 4.19Å; S129-D132 WeakPolarHBondContact CA-OD2 3.45Å; S129-D132 WeakPolarHBondContact CB-OD2 3.43Å; S129-D132 PolarHBondContact N-OD2 2.97Å; S129-D132 WeakPolarHBondContact O-CB 3.44Å; S129-D132 PolarHBondContact O-N 2.75Å; S129-D132 PolarHBondContact OG-OD2 2.84Å; D132-S134 PolarHBondContact O-N 2.98Å; D132-I138 VanDerWaalsContact O-CG1 3.25Å; D132-I138 WeakPolarHBondContact O-CG1 3.38Å; D132-I141 HydrophobicContact CB-CD1 3.72Å; D132-I141 VanDerWaalsContact CG-CD1 3.47Å
133	F	93.8	Very high	96.8	Very high	71 Å²	71	49.1 Å²	49.1	31%	0.311	26%	0.255	S	S	.	.			trans	-56	-14.4	-158.2	-175	-95.3	0	0	0	118.1	H131 K225 K228 L229 N232	H131-F133 VanDerWaalsContact C-N 3.26Å; H131-F133 PolarHBondContact O-N 2.94Å; F133-K225 HydrophobicContact CD2-CG 4.13Å; F133-K225 HydrophobicContact CE2-CB 4.46Å; F133-K225 HydrophobicContact CE2-CG 3.68Å; F133-K225 VanDerWaalsContact CE2-O 3.26Å; F133-K225 WeakPolarHBondContact CE2-O 3.21Å; F133-K228 HydrophobicContact CE1-CB 4.31Å; F133-K228 HydrophobicContact CE1-CD 4.41Å; F133-K228 HydrophobicContact CE2-CB 3.69Å; F133-K228 HydrophobicContact CZ-CB 3.35Å; F133-K228 HydrophobicContact CZ-CD 3.71Å; F133-K228 HydrophobicContact CZ-CG 4.17Å; F133-L229 HydrophobicContact CD2-CB 4.45Å; F133-N232 PolarHBondContact O-ND2 3.45Å
134	S	97.6	Very high	97.2	Very high	46 Å²	46	48.9 Å²	48.9	32%	0.322	26%	0.256	S	S	.	.	S	Bend	trans	-100.7	151.8	-175.5	74.7	0	0	0	0	113.5	D132 D136 R137 I138	D132-S134 PolarHBondContact O-N 2.98Å; S134-D136 PolarHBondContact O-N 3.06Å; S134-R137 PolarHBondContact O-N 2.94Å; S134-R137 VanDerWaalsContact O-N 3.13Å; S134-R137 WeakPolarHBondContact OG-CG 3.41Å; S134-R137 PolarHBondContact OG-N 3.16Å; S134-I138 WeakPolarHBondContact O-CG1 3.44Å; S134-I138 PolarHBondContact O-N 3.48Å
135	V	98.4	Very high	97.5	Very high	34 Å²	34	49.5 Å²	49.5	21%	0.206	26%	0.257	C	S	.	.	H	α-helix	trans	-51.2	-42.9	176.3	178.4	0	0	0	0	112	Y139 N232 K235 A236 K239	V135-Y139 VanDerWaalsContact O-CB 3.23Å; V135-Y139 WeakPolarHBondContact O-CB 3.46Å; V135-Y139 PolarHBondContact O-N 3.1Å; V135-N232 HydrophobicContact CG2-CB 3.87Å; V135-N232 WeakPolarHBondContact CG2-OD1 3.4Å; V135-K235 HydrophobicContact CG1-CB 4.36Å; V135-K235 HydrophobicContact CG2-CB 4.1Å; V135-K235 HydrophobicContact CG2-CD 4.26Å; V135-A236 HydrophobicContact CG1-CB 4.12Å; V135-K239 HydrophobicContact CG1-CD 4.38Å
136	D	98.5	Very high	97.4	Very high	93 Å²	93	53.7 Å²	53.7	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-72.3	-34.7	-177.6	-63	-41.8	0	0	0	113	S134 Y139 N140 K239	S134-D136 PolarHBondContact O-N 3.06Å; D136-Y139 PolarHBondContact O-N 2.91Å; D136-N140 WeakPolarHBondContact O-CB 3.23Å; D136-N140 PolarHBondContact O-N 2.86Å; D136-N140 PolarHBondContact O-ND2 3.09Å; D136-K239 IonicContact OD1-NZ 2.74Å; D136-K239 PolarHBondContact OD1-NZ 3.19Å
137	R	98.4	Very high	97.2	Very high	143 Å²	143	55 Å²	55	54%	0.54	29%	0.288	S	S	.	.	H	α-helix	trans	-65.2	-47.8	173.7	-75	-179	-176.8	-147.9	-1.6	110.6	H131 S134 Y139 N140 I141	H131-R137 PolarHBondContact O-NH1 3.49Å; S134-R137 PolarHBondContact O-N 2.94Å; S134-R137 VanDerWaalsContact O-N 3.13Å; S134-R137 WeakPolarHBondContact OG-CG 3.41Å; S134-R137 PolarHBondContact OG-N 3.16Å; R137-Y139 VanDerWaalsContact C-N 3.32Å; R137-Y139 PolarHBondContact O-N 3.12Å; R137-N140 PolarHBondContact O-N 3.45Å; R137-I141 WeakPolarHBondContact O-CG1 3.34Å; R137-I141 PolarHBondContact O-N 3.41Å
138	I	98.8	Very high	97.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-43.7	176.7	-58.7	173.7	0	0	0	110.3	I128 D132 S134 N140 I141 L142 L229 N232 F233 A236	I128-I138 HydrophobicContact CD1-CG2 3.76Å; I128-I138 HydrophobicContact CG1-CG2 4.48Å; I128-I138 HydrophobicContact CG2-CD1 4.13Å; I128-I138 HydrophobicContact CG2-CG1 3.81Å; I128-I138 HydrophobicContact CG2-CG2 4.34Å; D132-I138 VanDerWaalsContact O-CG1 3.25Å; D132-I138 WeakPolarHBondContact O-CG1 3.38Å; S134-I138 WeakPolarHBondContact O-CG1 3.44Å; S134-I138 PolarHBondContact O-N 3.48Å; I138-N140 VanDerWaalsContact C-N 3.32Å; I138-N140 PolarHBondContact O-N 3.25Å; I138-I141 WeakPolarHBondContact O-CB 3.35Å; I138-I141 PolarHBondContact O-N 3.03Å; I138-L142 HydrophobicContact CG2-CD1 4.08Å; I138-L142 HydrophobicContact CG2-CG 4.24Å; I138-L142 WeakPolarHBondContact O-CG 3.18Å; I138-L142 PolarHBondContact O-N 2.9Å; I138-L229 HydrophobicContact CD1-CD1 4.17Å; I138-N232 HydrophobicContact CD1-CB 3.87Å; I138-F233 HydrophobicContact CD1-CB 4.22Å; I138-F233 HydrophobicContact CG2-CD2 4.25Å; I138-A236 HydrophobicContact CB-CB 3.76Å; I138-A236 HydrophobicContact CG2-CB 3.58Å
139	Y	98.7	Very high	97	Very high	70 Å²	70	63 Å²	63	28%	0.275	33%	0.328	S	S	.	.	H	α-helix	trans	-57.6	-43.9	176.1	-178.2	-83.3	0	0	0	111.9	V135 D136 R137 I141 L142 A143 K239 R240	V135-Y139 VanDerWaalsContact O-CB 3.23Å; V135-Y139 WeakPolarHBondContact O-CB 3.46Å; V135-Y139 PolarHBondContact O-N 3.1Å; D136-Y139 PolarHBondContact O-N 2.91Å; R137-Y139 VanDerWaalsContact C-N 3.32Å; R137-Y139 PolarHBondContact O-N 3.12Å; Y139-I141 VanDerWaalsContact C-N 3.34Å; Y139-I141 PolarHBondContact O-N 3.45Å; Y139-L142 PolarHBondContact O-N 2.87Å; Y139-A143 HydrophobicContact CE1-CB 4.3Å; Y139-A143 VanDerWaalsContact O-CB 3.28Å; Y139-A143 WeakPolarHBondContact O-CB 3.4Å; Y139-A143 PolarHBondContact O-N 2.94Å; Y139-K239 HydrophobicContact CD2-CB 4.15Å; Y139-K239 HydrophobicContact CD2-CD 3.87Å; Y139-K239 HydrophobicContact CD2-CG 3.86Å; Y139-K239 HydrophobicContact CE2-CB 4.35Å; Y139-K239 HydrophobicContact CE2-CD 4.22Å; Y139-K239 HydrophobicContact CE2-CG 3.84Å; Y139-R240 HydrophobicContact CD2-CB 3.83Å; Y139-R240 HydrophobicContact CE2-CB 3.62Å; Y139-R240 HydrophobicContact CE2-CG 4.24Å
140	N	98.4	Very high	97.1	Very high	101 Å²	101	62.1 Å²	62.1	54%	0.54	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-38.2	178.1	-69.9	-20.2	0	0	0	112.2	D136 R137 I138 A143 S144	D136-N140 WeakPolarHBondContact O-CB 3.23Å; D136-N140 PolarHBondContact O-N 2.86Å; D136-N140 PolarHBondContact O-ND2 3.09Å; R137-N140 PolarHBondContact O-N 3.45Å; I138-N140 VanDerWaalsContact C-N 3.32Å; I138-N140 PolarHBondContact O-N 3.25Å; N140-A143 PolarHBondContact O-N 3.47Å; N140-S144 PolarHBondContact O-N 3.43Å; N140-S144 PolarHBondContact O-OG 3.45Å
141	I	98.5	Very high	97.2	Very high	41 Å²	41	64.8 Å²	64.8	21%	0.21	33%	0.331	C	S	.	.	H	α-helix	trans	-62	-50	173.1	-67.2	167.3	0	0	0	109.8	V126 I128 D132 R137 I138 Y139 A143 S144	V126-I141 HydrophobicContact CG1-CG2 3.31Å; I128-I141 HydrophobicContact CG1-CG2 4.31Å; D132-I141 HydrophobicContact CB-CD1 3.72Å; D132-I141 VanDerWaalsContact CG-CD1 3.47Å; R137-I141 WeakPolarHBondContact O-CG1 3.34Å; R137-I141 PolarHBondContact O-N 3.41Å; I138-I141 WeakPolarHBondContact O-CB 3.35Å; I138-I141 PolarHBondContact O-N 3.03Å; Y139-I141 VanDerWaalsContact C-N 3.34Å; Y139-I141 PolarHBondContact O-N 3.45Å; I141-A143 VanDerWaalsContact C-N 3.28Å; I141-A143 PolarHBondContact O-N 2.97Å; I141-S144 VanDerWaalsContact O-CB 3.31Å; I141-S144 WeakPolarHBondContact O-CB 3.21Å; I141-S144 PolarHBondContact O-N 3.02Å
142	L	98.5	Very high	97.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-34.4	177.5	-64.6	176.2	0	0	0	112.4	V126 I128 I138 Y139 S144 W145 L194 A236 A237 R240 F241	V126-L142 HydrophobicContact CG1-CD2 4.39Å; I128-L142 HydrophobicContact CD1-CD2 4.39Å; I138-L142 HydrophobicContact CG2-CD1 4.08Å; I138-L142 HydrophobicContact CG2-CG 4.24Å; I138-L142 WeakPolarHBondContact O-CG 3.18Å; I138-L142 PolarHBondContact O-N 2.9Å; Y139-L142 PolarHBondContact O-N 2.87Å; L142-S144 PolarHBondContact O-N 3.35Å; L142-W145 WeakPolarHBondContact O-CB 3.27Å; L142-W145 PolarHBondContact O-N 3.4Å; L142-L194 HydrophobicContact CD2-CD2 3.98Å; L142-A236 HydrophobicContact CD1-CB 4.17Å; L142-A237 HydrophobicContact CD1-CB 4.24Å; L142-R240 HydrophobicContact CB-CG 4.29Å; L142-F241 HydrophobicContact CB-CE2 4.25Å; L142-F241 HydrophobicContact CB-CZ 4.3Å; L142-F241 HydrophobicContact CD1-CE2 4.25Å; L142-F241 HydrophobicContact CD2-CE2 4.31Å
143	A	97.4	Very high	97.4	Very high	46 Å²	46	58.7 Å²	58.7	38%	0.38	30%	0.302	S	S	.	.	H	α-helix	trans	-69.7	-17.2	176.3	0	0	0	0	0	113.4	Y139 N140 I141 W145	Y139-A143 HydrophobicContact CE1-CB 4.3Å; Y139-A143 VanDerWaalsContact O-CB 3.28Å; Y139-A143 WeakPolarHBondContact O-CB 3.4Å; Y139-A143 PolarHBondContact O-N 2.94Å; N140-A143 PolarHBondContact O-N 3.47Å; I141-A143 VanDerWaalsContact C-N 3.28Å; I141-A143 PolarHBondContact O-N 2.97Å; A143-W145 VanDerWaalsContact C-N 3.3Å
144	S	97	Very high	97.7	Very high	102 Å²	102	55.3 Å²	55.3	71%	0.713	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-12	174	-55.4	0	0	0	0	113	N140 I141 L142	N140-S144 PolarHBondContact O-N 3.43Å; N140-S144 PolarHBondContact O-OG 3.45Å; I141-S144 VanDerWaalsContact O-CB 3.31Å; I141-S144 WeakPolarHBondContact O-CB 3.21Å; I141-S144 PolarHBondContact O-N 3.02Å; L142-S144 PolarHBondContact O-N 3.35Å
145	W	97.1	Very high	97.7	Very high	45 Å²	45	53.1 Å²	53.1	17%	0.17	27%	0.272	C	S	.	.	S	Bend	trans	-67.8	134.7	171.7	-171.2	-112.6	0	0	0	110.3	K124 V126 L142 A143 E147 L194	K124-W145 WeakPolarHBondContact O-CH2 3.44Å; V126-W145 HydrophobicContact CG2-CD2 4.46Å; V126-W145 HydrophobicContact CG2-CE3 3.87Å; L142-W145 WeakPolarHBondContact O-CB 3.27Å; L142-W145 PolarHBondContact O-N 3.4Å; A143-W145 VanDerWaalsContact C-N 3.3Å; W145-E147 PolarHBondContact O-N 3.46Å; W145-L194 HydrophobicContact CD2-CD1 3.58Å; W145-L194 HydrophobicContact CE3-CD1 3.95Å; W145-L194 HydrophobicContact CG-CD1 3.9Å; W145-L194 HydrophobicContact CH2-CD1 4.48Å; W145-L194 HydrophobicContact CZ2-CD1 4.15Å; W145-L194 HydrophobicContact CZ3-CD1 4.39Å
146	P	93.3	Very high	97.7	Very high	97 Å²	97	51.5 Å²	51.5	63%	0.63	26%	0.262	S	S	*	.	S	Bend	trans	-63.3	-29	-174.8	23.7	-34.8	0	0	0	113.2
147	E	94.9	Very high	97.7	Very high	37 Å²	37	47.1 Å²	47.1	17%	0.173	24%	0.238	C	C	.	.			trans	-81.9	130.3	-179.3	-58.5	-48.8	124.9	0	0	113.3	R26 W145 V150 S191 R240	R26-E147 VanDerWaalsContact CZ-CD 3.4Å; R26-E147 IonicContact CZ-OE1 3.85Å; R26-E147 IonicContact CZ-OE2 2.68Å; R26-E147 IonicContact NH1-OE1 2.98Å; R26-E147 PolarHBondContact NH1-OE1 3.03Å; R26-E147 IonicContact NH1-OE2 3.17Å; R26-E147 PolarHBondContact NH1-OE2 2.96Å; R26-E147 IonicContact NH2-OE1 3.67Å; R26-E147 PolarHBondContact NH2-OE1 3.36Å; R26-E147 IonicContact NH2-OE2 3.64Å; W145-E147 PolarHBondContact O-N 3.46Å; E147-V150 HydrophobicContact CB-CG2 4Å; E147-S191 WeakPolarHBondContact CG-O 3.29Å; E147-R240 PolarHBondContact O-NH2 3.12Å
148	K	95.3	Very high	97.7	Very high	173 Å²	173	40.3 Å²	40.3	75%	0.752	21%	0.213	S	C	*	.	S	Bend	trans	-86.1	-38	174.4	-63.9	-172.7	-176.8	-179.9	0	112.8	V150 R240	K148-V150 PolarHBondContact O-N 3.37Å; K148-R240 PolarHBondContact O-NH1 3.08Å
149	D	96.7	Very high	97.6	Very high	72 Å²	72	41.9 Å²	41.9	39%	0.385	22%	0.22	S	C	.	.			trans	-96.9	58.4	-176	-174	26.9	0	0	0	111.4	R151 W192	D149-R151 IonicContact OD1-CZ 2.7Å; D149-R151 IonicContact OD1-NE 3.78Å; D149-R151 PolarHBondContact OD1-NE 3.41Å; D149-R151 IonicContact OD1-NH2 3.19Å; D149-R151 PolarHBondContact OD1-NH2 3.49Å; D149-R151 IonicContact OD2-CZ 3Å; D149-R151 IonicContact OD2-NE 2.73Å; D149-R151 PolarHBondContact OD2-NE 2.94Å; D149-R151 IonicContact OD2-NH2 2.76Å; D149-R151 PolarHBondContact OD2-NH2 3.38Å; D149-W192 VanDerWaalsContact O-CD1 3.23Å; D149-W192 PolarHBondContact OD2-NE1 3.31Å
150	V	98.5	Very high	97.3	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	22%	0.223	C	C	.	.			trans	-76.5	130.9	170.4	175	0	0	0	0	108.2	E147 K148 I153 L194 F241	E147-V150 HydrophobicContact CB-CG2 4Å; K148-V150 PolarHBondContact O-N 3.37Å; V150-I153 HydrophobicContact CG1-CD1 4.48Å; V150-I153 HydrophobicContact CG1-CG1 3.94Å; V150-L194 HydrophobicContact CG1-CB 3.53Å; V150-L194 HydrophobicContact CG1-CD2 4.19Å; V150-L194 HydrophobicContact CG2-CB 4.16Å; V150-L194 HydrophobicContact CG2-CD2 4.42Å; V150-F241 HydrophobicContact CB-CD1 3.56Å; V150-F241 HydrophobicContact CB-CD2 4.22Å; V150-F241 HydrophobicContact CB-CE1 3.56Å; V150-F241 HydrophobicContact CB-CE2 4.24Å; V150-F241 HydrophobicContact CB-CG 3.89Å; V150-F241 HydrophobicContact CB-CZ 3.93Å; V150-F241 HydrophobicContact CG1-CD1 4.48Å; V150-F241 HydrophobicContact CG1-CD2 4.3Å; V150-F241 HydrophobicContact CG1-CE1 4.49Å; V150-F241 HydrophobicContact CG1-CE2 4.33Å; V150-F241 HydrophobicContact CG1-CG 4.39Å; V150-F241 HydrophobicContact CG1-CZ 4.42Å; V150-F241 HydrophobicContact CG2-CD1 4.06Å; V150-F241 HydrophobicContact CG2-CE1 3.53Å; V150-F241 HydrophobicContact CG2-CE2 4.5Å; V150-F241 HydrophobicContact CG2-CZ 3.8Å
151	R	98.6	Very high	96.8	Very high	59 Å²	59	37.9 Å²	37.9	22%	0.223	20%	0.197	C	C	.	.			trans	-125.7	-12.5	178.7	-49.6	-173.3	-175.1	-179.6	5.9	113.5	D149 W192 L246 I470	D149-R151 IonicContact OD1-CZ 2.7Å; D149-R151 IonicContact OD1-NE 3.78Å; D149-R151 PolarHBondContact OD1-NE 3.41Å; D149-R151 IonicContact OD1-NH2 3.19Å; D149-R151 PolarHBondContact OD1-NH2 3.49Å; D149-R151 IonicContact OD2-CZ 3Å; D149-R151 IonicContact OD2-NE 2.73Å; D149-R151 PolarHBondContact OD2-NE 2.94Å; D149-R151 IonicContact OD2-NH2 2.76Å; D149-R151 PolarHBondContact OD2-NH2 3.38Å; R151-W192 HydrophobicContact CB-CB 4.04Å; R151-W192 HydrophobicContact CB-CG 4.26Å; R151-W192 HydrophobicContact CG-CB 4.2Å; R151-W192 HydrophobicContact CG-CD2 4.3Å; R151-W192 HydrophobicContact CG-CG 3.97Å; R151-W192 PolarHBondContact N-O 3.35Å; R151-L246 WeakPolarHBondContact O-CB 3.45Å; R151-L246 PolarHBondContact O-N 2.94Å; R151-I470 HydrophobicContact CB-CG1 4.49Å; R151-I470 HydrophobicContact CB-CG2 3.87Å
152	A	98.8	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	123.1	178.4	0	0	0	0	0	110.9	L179 Y182 W192 C193 L194 L246 I470	A152-L179 HydrophobicContact CB-CD2 4.37Å; A152-Y182 HydrophobicContact CB-CD1 4.34Å; A152-Y182 HydrophobicContact CB-CE1 4.14Å; A152-W192 PolarHBondContact N-O 3.27Å; A152-C193 CarbonylContact O-C 3.51Å; A152-C193 WeakPolarHBondContact O-CA 3.24Å; A152-L194 PolarHBondContact O-N 2.95Å; A152-L246 CarbonylContact C-O 3.55Å; A152-L246 WeakPolarHBondContact CA-O 3.25Å; A152-I470 HydrophobicContact CB-CD1 3.84Å
153	I	98.9	Very high	95	Very high	1 Å²	1	43 Å²	43	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.6	172.7	-65.8	167.7	0	0	0	107.9	V150 V155 L194 V196 F233 A237 F241 L246 I247 Q248	V150-I153 HydrophobicContact CG1-CD1 4.48Å; V150-I153 HydrophobicContact CG1-CG1 3.94Å; I153-V155 HydrophobicContact CG2-CB 4.33Å; I153-L194 VanDerWaalsContact CA-O 3.31Å; I153-L194 WeakPolarHBondContact CA-O 3.33Å; I153-L194 HydrophobicContact CD1-CD2 4.24Å; I153-L194 HydrophobicContact CG1-CB 3.99Å; I153-L194 HydrophobicContact CG1-CD2 4.12Å; I153-L194 HydrophobicContact CG1-CG 4.25Å; I153-V196 HydrophobicContact CG2-CB 4.21Å; I153-V196 HydrophobicContact CG2-CG2 3.67Å; I153-F233 HydrophobicContact CG2-CZ 4.08Å; I153-A237 HydrophobicContact CD1-CB 4.01Å; I153-F241 HydrophobicContact CD1-CD2 4.07Å; I153-F241 HydrophobicContact CD1-CE2 4.22Å; I153-L246 PolarHBondContact N-O 3.44Å; I153-I247 HydrophobicContact CB-CG1 4.37Å; I153-I247 HydrophobicContact CD1-CG1 4.33Å; I153-I247 HydrophobicContact CG2-CG2 4.49Å; I153-I247 CarbonylContact O-C 3.44Å; I153-I247 WeakPolarHBondContact O-CA 3.49Å; I153-Q248 PolarHBondContact O-N 3.39Å
154	V	98.9	Very high	94.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.6	161.7	177.5	0	0	0	0	106.6	P175 K178 L179 Y182 L194 V196 Q248 E250	V154-P175 HydrophobicContact CB-CB 4.2Å; V154-P175 HydrophobicContact CG1-CB 4.06Å; V154-P175 HydrophobicContact CG1-CG 4.32Å; V154-P175 WeakPolarHBondContact O-CB 3.4Å; V154-K178 HydrophobicContact CG1-CB 4.09Å; V154-K178 HydrophobicContact CG1-CG 4.39Å; V154-K178 HydrophobicContact CG2-CB 4.16Å; V154-L179 HydrophobicContact CB-CD1 4.17Å; V154-L179 HydrophobicContact CB-CD2 4.45Å; V154-L179 HydrophobicContact CB-CG 4.05Å; V154-L179 HydrophobicContact CG2-CD1 4.24Å; V154-L179 HydrophobicContact CG2-CD2 3.65Å; V154-L179 HydrophobicContact CG2-CG 3.65Å; V154-Y182 HydrophobicContact CG2-CE2 4.24Å; V154-L194 PolarHBondContact N-O 3.01Å; V154-V196 PolarHBondContact O-N 2.98Å; V154-Q248 WeakPolarHBondContact CA-O 3.27Å; V154-Q248 HydrophobicContact CG2-CB 4.17Å; V154-E250 HydrophobicContact CG1-CB 3.94Å
155	V	98.8	Very high	94.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.1	-178.4	63.3	0	0	0	0	110.3	I153 V196 L198 F233 I247 Q248 F249 E250 F252	I153-V155 HydrophobicContact CG2-CB 4.33Å; V155-V196 WeakPolarHBondContact CA-O 3.21Å; V155-V196 HydrophobicContact CB-CB 4.17Å; V155-V196 HydrophobicContact CG2-CB 4.05Å; V155-V196 HydrophobicContact CG2-CG1 3.89Å; V155-L198 HydrophobicContact CG2-CD1 3.99Å; V155-L198 HydrophobicContact CG2-CD2 4.22Å; V155-L198 HydrophobicContact CG2-CG 3.65Å; V155-F233 HydrophobicContact CB-CE1 4.18Å; V155-F233 HydrophobicContact CB-CZ 4.18Å; V155-F233 HydrophobicContact CG1-CE1 4.06Å; V155-F233 HydrophobicContact CG1-CZ 4.49Å; V155-F233 HydrophobicContact CG2-CE1 4.04Å; V155-F233 HydrophobicContact CG2-CZ 4.1Å; V155-I247 HydrophobicContact CG1-CG2 3.97Å; V155-Q248 WeakPolarHBondContact CG1-O 3.45Å; V155-Q248 PolarHBondContact N-O 3.39Å; V155-F249 HydrophobicContact CG1-CD1 4.15Å; V155-F249 HydrophobicContact CG1-CE1 4.32Å; V155-F249 HydrophobicContact CG1-CG 4.24Å; V155-E250 PolarHBondContact O-N 3.3Å; V155-F252 HydrophobicContact CG1-CE2 4.38Å; V155-F252 HydrophobicContact CG2-CZ 4.45Å; V155-F252 WeakPolarHBondContact O-CE2 3.49Å
156	T	98.5	Very high	94.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.4	169.5	-170.7	0	0	0	0	110	G158 P175 V196 V197 L198 E250	T156-G158 PolarHBondContact OG1-N 2.88Å; T156-P175 HydrophobicContact CG2-CG 3.57Å; T156-V196 PolarHBondContact N-O 2.83Å; T156-V196 VanDerWaalsContact N-O 3.16Å; T156-V197 HydrophobicContact CG2-CG2 3.87Å; T156-V197 CarbonylContact O-C 3.53Å; T156-V197 VanDerWaalsContact O-CA 3.32Å; T156-V197 WeakPolarHBondContact O-CA 3.08Å; T156-L198 PolarHBondContact O-N 3.26Å; T156-E250 WeakPolarHBondContact CA-O 3.28Å; T156-E250 WeakPolarHBondContact CB-O 3.34Å; T156-E250 PolarHBondContact OG1-O 2.94Å
157	D	98.2	Very high	94.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.			trans	-102.9	3.9	163.1	72.3	-6.6	0	0	0	112.8	E159 L198 R220 Y226 F252	D157-E159 PolarHBondContact O-N 3.46Å; D157-E159 VanDerWaalsContact OD1-CB 3.3Å; D157-E159 WeakPolarHBondContact OD1-CB 3.36Å; D157-E159 PolarHBondContact OD1-N 3.2Å; D157-E159 VanDerWaalsContact OD1-N 3.08Å; D157-L198 WeakPolarHBondContact CA-O 3.43Å; D157-L198 HydrophobicContact CB-CB 4.42Å; D157-R220 PolarHBondContact O-NH1 3.31Å; D157-R220 PolarHBondContact O-NH2 2.86Å; D157-R220 IonicContact OD2-NH1 3.42Å; D157-Y226 PolarHBondContact OD2-OH 3.28Å; D157-F252 HydrophobicContact CB-CD1 4.1Å; D157-F252 HydrophobicContact CB-CE1 3.72Å; D157-F252 HydrophobicContact CB-CZ 4.27Å; D157-F252 VanDerWaalsContact CG-CD1 3.46Å
158	G	96.9	Very high	94.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	68.9	10.7	176.9	0	0	0	0	0	114.9	T156 D166 L167 G168 R220	T156-G158 PolarHBondContact OG1-N 2.88Å; G158-D166 WeakPolarHBondContact O-CA 3.16Å; G158-L167 PolarHBondContact O-N 3.35Å; G158-G168 PolarHBondContact O-N 3.47Å; G158-R220 PolarHBondContact O-NH2 3Å
159	E	97.3	Very high	94.5	Very high	33 Å²	33	25 Å²	25	15%	0.154	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-31.1	-173.2	-169.5	175.4	174.5	0	0	113.2	D157 G165 D166 R220 R222 A253	D157-E159 PolarHBondContact O-N 3.46Å; D157-E159 VanDerWaalsContact OD1-CB 3.3Å; D157-E159 WeakPolarHBondContact OD1-CB 3.36Å; D157-E159 PolarHBondContact OD1-N 3.2Å; D157-E159 VanDerWaalsContact OD1-N 3.08Å; E159-G165 CarbonylContact O-C 3.57Å; E159-G165 VanDerWaalsContact O-C 3.25Å; E159-D166 WeakPolarHBondContact O-CA 3.41Å; E159-D166 PolarHBondContact O-N 3.19Å; E159-D166 VanDerWaalsContact O-N 3.16Å; E159-R220 VanDerWaalsContact CA-NH2 3.31Å; E159-R222 IonicContact OE1-CZ 3.5Å; E159-R222 IonicContact OE1-NH1 3.2Å; E159-R222 PolarHBondContact OE1-NH1 2.68Å; E159-R222 IonicContact OE1-NH2 3.49Å; E159-R222 PolarHBondContact OE1-NH2 3.41Å; E159-R222 IonicContact OE2-CZ 3.38Å; E159-R222 IonicContact OE2-NH1 3.19Å; E159-R222 PolarHBondContact OE2-NH1 3.04Å; E159-R222 IonicContact OE2-NH2 2.88Å; E159-A253 HydrophobicContact CB-CB 4.29Å; E159-A253 HydrophobicContact CG-CB 3.86Å; E159-A253 WeakPolarHBondContact OE2-CB 3.31Å
160	R	91.7	Very high	94.5	Very high	86 Å²	86	21.6 Å²	21.6	33%	0.325	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.6	58.1	-174.6	-165.3	-171.9	162.5	-138.4	5.7	111.1	L162 D251 N254 E309	R160-L162 PolarHBondContact O-N 3.43Å; R160-D251 CarbonylContact C-O 3.59Å; R160-D251 PolarHBondContact N-O 2.88Å; R160-D251 WeakPolarHBondContact O-CB 3.4Å; R160-N254 WeakPolarHBondContact CD-OD1 3.14Å; R160-N254 PolarHBondContact NE-OD1 2.82Å; R160-N254 VanDerWaalsContact NE-OD1 3.1Å; R160-N254 PolarHBondContact NH1-OD1 3.13Å; R160-N254 PolarHBondContact NH2-OD1 3.5Å; R160-E309 IonicContact CZ-OE2 2.95Å; R160-E309 IonicContact NH1-OE2 3.74Å; R160-E309 PolarHBondContact NH1-OE2 3.44Å
161	I	89.9	Confident	94.3	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-59.6	125.5	171.8	-53.9	-43.8	0	0	0	109.2	G163 L164 G165 L167 I174 D251	I161-G163 PolarHBondContact O-N 2.94Å; I161-G163 VanDerWaalsContact O-N 3.07Å; I161-L164 HydrophobicContact CB-CB 4.39Å; I161-L164 HydrophobicContact CG2-CB 4.39Å; I161-L164 HydrophobicContact CG2-CD1 4.23Å; I161-L164 PolarHBondContact O-N 2.81Å; I161-G165 PolarHBondContact N-O 3.2Å; I161-G165 PolarHBondContact O-N 2.85Å; I161-L167 HydrophobicContact CB-CD1 3.96Å; I161-L167 HydrophobicContact CB-CG 4.22Å; I161-L167 HydrophobicContact CG1-CB 3.92Å; I161-L167 HydrophobicContact CG1-CD1 3.9Å; I161-L167 HydrophobicContact CG1-CG 3.95Å; I161-L167 HydrophobicContact CG2-CD1 4.03Å; I161-I174 HydrophobicContact CD1-CG1 3.86Å; I161-I174 HydrophobicContact CG1-CG1 4.5Å; I161-I174 HydrophobicContact CG2-CD1 3.9Å; I161-I174 HydrophobicContact CG2-CG1 3.9Å; I161-D251 WeakPolarHBondContact CA-OD2 3.45Å; I161-D251 HydrophobicContact CD1-CB 3.72Å
162	L	80.4	Confident	94.2	Very high	78 Å²	78	18.8 Å²	18.8	41%	0.408	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	115.1	-167.7	-173.6	68.7	0	0	0	112.9	R160 L164 D251 N413	R160-L162 PolarHBondContact O-N 3.43Å; L162-L164 PolarHBondContact O-N 3.02Å; L162-D251 PolarHBondContact N-OD2 2.76Å; L162-N413 HydrophobicContact CD2-CB 4.43Å
163	G	77.3	Confident	94	Very high	69 Å²	69	18.8 Å²	18.8	71%	0.711	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	-2.4	179.1	0	0	0	0	0	115.7	I161	I161-G163 PolarHBondContact O-N 2.94Å; I161-G163 VanDerWaalsContact O-N 3.07Å
164	L	86.6	Confident	93.9	Very high	63 Å²	63	18.9 Å²	18.9	33%	0.33	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-21.2	-175	-59.2	177.9	0	0	0	113.6	G110 Q114 I161 L162 L167	G110-L164 VanDerWaalsContact O-CD1 3.29Å; G110-L164 WeakPolarHBondContact O-CD1 3.45Å; Q114-L164 HydrophobicContact CG-CD1 4.15Å; I161-L164 HydrophobicContact CB-CB 4.39Å; I161-L164 HydrophobicContact CG2-CB 4.39Å; I161-L164 HydrophobicContact CG2-CD1 4.23Å; I161-L164 PolarHBondContact O-N 2.81Å; L162-L164 PolarHBondContact O-N 3.02Å; L164-L167 HydrophobicContact CB-CD1 4.18Å; L164-L167 HydrophobicContact CD1-CD1 4.17Å
165	G	90.7	Very high	93.8	Very high	30 Å²	30	18.9 Å²	18.9	31%	0.309	12%	0.116	S	C	.	.	B	Isolated β-bridge	trans	81.6	-143.5	177.5	0	0	0	0	0	112.8	E159 I161 L167	E159-G165 CarbonylContact O-C 3.57Å; E159-G165 VanDerWaalsContact O-C 3.25Å; I161-G165 PolarHBondContact N-O 3.2Å; I161-G165 PolarHBondContact O-N 2.85Å; G165-L167 PolarHBondContact O-N 2.78Å
166	D	96.5	Very high	93.7	Very high	22 Å²	22	19.5 Å²	19.5	12%	0.118	12%	0.12	C	C	.	.			trans	-78.2	111.9	-173.3	-172.9	-14.4	0	0	0	111.3	G158 E159 G168 T202 E203 N204 R220	G158-D166 WeakPolarHBondContact O-CA 3.16Å; E159-D166 WeakPolarHBondContact O-CA 3.41Å; E159-D166 PolarHBondContact O-N 3.19Å; E159-D166 VanDerWaalsContact O-N 3.16Å; D166-G168 PolarHBondContact OD1-N 3.14Å; D166-T202 PolarHBondContact OD1-OG1 3.3Å; D166-T202 PolarHBondContact OD2-OG1 2.71Å; D166-E203 PolarHBondContact OD2-N 3.28Å; D166-N204 HydrophobicContact CB-CB 4.42Å; D166-N204 WeakPolarHBondContact O-CB 3.31Å; D166-N204 PolarHBondContact O-ND2 3.17Å; D166-R220 IonicContact OD1-CZ 3.38Å; D166-R220 IonicContact OD1-NE 2.8Å; D166-R220 PolarHBondContact OD1-NE 3.5Å; D166-R220 IonicContact OD1-NH2 2.76Å; D166-R220 PolarHBondContact OD1-NH2 3.4Å; D166-R220 IonicContact OD2-CZ 2.85Å; D166-R220 IonicContact OD2-NE 3.44Å; D166-R220 PolarHBondContact OD2-NE 3.48Å; D166-R220 IonicContact OD2-NH2 3.59Å
167	L	96.9	Very high	93.6	Very high	6 Å²	6	19.7 Å²	19.7	3%	0.031	12%	0.122	C	C	.	.			trans	-112.4	5.6	174.5	-58.8	-175.5	0	0	0	112.9	C113 Q114 G158 I161 L164 G165 A169 N170 L207	C113-L167 HydrophobicContact CB-CD1 3.56Å; Q114-L167 HydrophobicContact CG-CD1 4.05Å; Q114-L167 HydrophobicContact CG-CD2 4.07Å; G158-L167 PolarHBondContact O-N 3.35Å; I161-L167 HydrophobicContact CB-CD1 3.96Å; I161-L167 HydrophobicContact CB-CG 4.22Å; I161-L167 HydrophobicContact CG1-CB 3.92Å; I161-L167 HydrophobicContact CG1-CD1 3.9Å; I161-L167 HydrophobicContact CG1-CG 3.95Å; I161-L167 HydrophobicContact CG2-CD1 4.03Å; L164-L167 HydrophobicContact CB-CD1 4.18Å; L164-L167 HydrophobicContact CD1-CD1 4.17Å; G165-L167 PolarHBondContact O-N 2.78Å; L167-A169 PolarHBondContact O-N 3.42Å; L167-N170 HydrophobicContact CB-CB 4.44Å; L167-N170 VanDerWaalsContact O-CB 3.24Å; L167-N170 WeakPolarHBondContact O-CB 3.34Å; L167-N170 PolarHBondContact O-N 2.96Å; L167-L207 VanDerWaalsContact C-CD1 3.5Å; L167-L207 WeakPolarHBondContact O-CD1 3.46Å
168	G	97.1	Very high	93.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	50.5	-135.5	179.1	0	0	0	0	0	113.2	G158 D166 N170 G171 Y213	G158-G168 PolarHBondContact O-N 3.47Å; D166-G168 PolarHBondContact OD1-N 3.14Å; G168-N170 PolarHBondContact O-N 2.99Å; G168-N170 VanDerWaalsContact O-N 3.14Å; G168-G171 PolarHBondContact O-N 2.97Å; G168-Y213 WeakPolarHBondContact CA-OH 3.38Å
169	A	96.9	Very high	93.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.008	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-60.7	-22.6	178.2	0	0	0	0	0	114.3	Y127 L167 G171 M172 Y213 G215	Y127-A169 HydrophobicContact CD1-CB 4.47Å; Y127-A169 HydrophobicContact CE1-CB 4.39Å; L167-A169 PolarHBondContact O-N 3.42Å; A169-G171 PolarHBondContact O-N 3.44Å; A169-M172 PolarHBondContact O-N 3.15Å; A169-Y213 HydrophobicContact CB-CE2 4.22Å; A169-Y213 PolarHBondContact N-OH 2.76Å; A169-G215 VanDerWaalsContact CB-CA 3.41Å
170	N	96.4	Very high	93.6	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.011	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-68.6	-11.9	177.5	-67.5	-6.9	0	0	0	112.5	C113 F116 L167 G168 M172	C113-N170 WeakPolarHBondContact CB-O 3.34Å; C113-N170 WeakPolarHBondContact O-CB 3.44Å; C113-N170 PolarHBondContact SG-O 2.67Å; C113-N170 VanDerWaalsContact SG-O 3.39Å; F116-N170 HydrophobicContact CB-CB 3.57Å; F116-N170 HydrophobicContact CG-CB 4.33Å; L167-N170 HydrophobicContact CB-CB 4.44Å; L167-N170 VanDerWaalsContact O-CB 3.24Å; L167-N170 WeakPolarHBondContact O-CB 3.34Å; L167-N170 PolarHBondContact O-N 2.96Å; G168-N170 PolarHBondContact O-N 2.99Å; G168-N170 VanDerWaalsContact O-N 3.14Å; N170-M172 PolarHBondContact O-N 3.48Å; N170-M172 VanDerWaalsContact O-N 3.14Å
171	G	95.9	Very high	93.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-63.5	-7.3	172.6	0	0	0	0	0	115	G168 A169 G173 I174 P175	G168-G171 PolarHBondContact O-N 2.97Å; A169-G171 PolarHBondContact O-N 3.44Å; G171-G173 PolarHBondContact O-N 2.94Å; G171-I174 WeakPolarHBondContact O-CB 3.48Å; G171-I174 PolarHBondContact O-N 3.46Å; G171-P175 VanDerWaalsContact O-CD 3.22Å; G171-P175 WeakPolarHBondContact O-CD 3.3Å
172	M	96.6	Very high	94.3	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-53	-29.8	179.4	179.2	58.7	75.6	0	0	114	F116 V126 Y127 A169 N170 I174 P175 V176 P195 V197	F116-M172 HydrophobicContact CE1-CB 4.1Å; F116-M172 HydrophobicContact CE2-CB 4.3Å; F116-M172 HydrophobicContact CZ-CB 3.76Å; F116-M172 HydrophobicContact CZ-CG 3.94Å; V126-M172 WeakPolarHBondContact O-CE 3.29Å; Y127-M172 HydrophobicContact CD1-CE 3.93Å; Y127-M172 HydrophobicContact CD2-CE 3.94Å; Y127-M172 HydrophobicContact CE1-CB 3.98Å; Y127-M172 HydrophobicContact CE1-CE 3.66Å; Y127-M172 HydrophobicContact CE1-CG 4.33Å; Y127-M172 HydrophobicContact CE2-CE 3.66Å; Y127-M172 HydrophobicContact CG-CE 4.07Å; Y127-M172 WeakPolarHBondContact OH-CB 3.15Å; Y127-M172 WeakPolarHBondContact OH-CG 3.46Å; A169-M172 PolarHBondContact O-N 3.15Å; N170-M172 PolarHBondContact O-N 3.48Å; N170-M172 VanDerWaalsContact O-N 3.14Å; M172-I174 PolarHBondContact O-N 2.93Å; M172-P175 WeakPolarHBondContact O-CD 3.44Å; M172-V176 HydrophobicContact CG-CG2 4.21Å; M172-V176 WeakPolarHBondContact O-CG2 3.37Å; M172-V176 PolarHBondContact O-N 3.45Å; M172-V176 HydrophobicContact SD-CG2 4.18Å; M172-P195 HydrophobicContact SD-CB 4Å; M172-V197 VanDerWaalsContact CA-CG2 3.44Å; M172-V197 HydrophobicContact CB-CG2 3.74Å; M172-V197 HydrophobicContact CE-CB 3.89Å; M172-V197 HydrophobicContact CE-CG2 3.55Å; M172-V197 HydrophobicContact CG-CG2 4.43Å; M172-V197 HydrophobicContact SD-CG2 3.95Å
173	G	94.3	Very high	95.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57.9	-29.7	175.6	0	0	0	0	0	113.2	V109 G171 G177	V109-G173 WeakPolarHBondContact CG2-O 3.49Å; G171-G173 PolarHBondContact O-N 2.94Å; G173-G177 PolarHBondContact O-N 3.06Å
174	I	95.7	Very high	96.1	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-68.1	-57.1	-178.8	-60.6	-57.5	0	0	0	111.9	Y105 V109 I161 G171 M172 V176 G177 K178 E250 D251	Y105-I174 HydrophobicContact CE2-CD1 4.45Å; Y105-I174 HydrophobicContact CE2-CG2 4.33Å; V109-I174 HydrophobicContact CG1-CD1 3.63Å; V109-I174 HydrophobicContact CG2-CD1 4.16Å; I161-I174 HydrophobicContact CD1-CG1 3.86Å; I161-I174 HydrophobicContact CG1-CG1 4.5Å; I161-I174 HydrophobicContact CG2-CD1 3.9Å; I161-I174 HydrophobicContact CG2-CG1 3.9Å; G171-I174 WeakPolarHBondContact O-CB 3.48Å; G171-I174 PolarHBondContact O-N 3.46Å; M172-I174 PolarHBondContact O-N 2.93Å; I174-V176 VanDerWaalsContact C-N 3.29Å; I174-V176 PolarHBondContact O-N 3.15Å; I174-G177 PolarHBondContact O-N 2.92Å; I174-K178 WeakPolarHBondContact O-CB 3.43Å; I174-K178 PolarHBondContact O-N 2.9Å; I174-E250 HydrophobicContact CG2-CB 4.49Å; I174-E250 HydrophobicContact CG2-CG 3.58Å; I174-D251 WeakPolarHBondContact CG2-OD2 3.29Å
175	P	97.8	Very high	96.6	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-52.9	-42.2	171.5	-32.2	36.8	0	0	0	114.5	V154 T156 G171 M172 L179 P195 V196	V154-P175 HydrophobicContact CB-CB 4.2Å; V154-P175 HydrophobicContact CG1-CB 4.06Å; V154-P175 HydrophobicContact CG1-CG 4.32Å; V154-P175 WeakPolarHBondContact O-CB 3.4Å; T156-P175 HydrophobicContact CG2-CG 3.57Å; G171-P175 VanDerWaalsContact O-CD 3.22Å; G171-P175 WeakPolarHBondContact O-CD 3.3Å; M172-P175 WeakPolarHBondContact O-CD 3.44Å; P175-L179 WeakPolarHBondContact O-CB 3.36Å; P175-L179 WeakPolarHBondContact O-CG 3.15Å; P175-L179 PolarHBondContact O-N 3.06Å; P175-P195 HydrophobicContact CB-CB 3.65Å; P175-V196 WeakPolarHBondContact CG-O 3.4Å
176	V	96.9	Very high	96.9	Very high	14 Å²	14	3.4 Å²	3.4	9%	0.085	2%	0.02	C	C	.	.	H	α-helix	trans	-63.1	-46.4	179.1	172.1	0	0	0	0	111	K124 M172 I174 S180 P195	K124-V176 HydrophobicContact CB-CG1 4.46Å; K124-V176 HydrophobicContact CB-CG2 3.86Å; K124-V176 HydrophobicContact CD-CG1 3.98Å; M172-V176 HydrophobicContact CG-CG2 4.21Å; M172-V176 WeakPolarHBondContact O-CG2 3.37Å; M172-V176 PolarHBondContact O-N 3.45Å; M172-V176 HydrophobicContact SD-CG2 4.18Å; I174-V176 VanDerWaalsContact C-N 3.29Å; I174-V176 PolarHBondContact O-N 3.15Å; V176-S180 WeakPolarHBondContact O-CB 3.41Å; V176-S180 PolarHBondContact O-N 2.84Å; V176-S180 PolarHBondContact O-OG 2.87Å; V176-P195 HydrophobicContact CG2-CB 3.82Å; V176-P195 HydrophobicContact CG2-CG 3.9Å
177	G	95.8	Very high	96.9	Very high	3 Å²	3	2.4 Å²	2.4	3%	0.031	2%	0.015	C	C	.	.	H	α-helix	trans	-65.4	-46.1	178.4	0	0	0	0	0	112	G173 I174 L179 S180 L181	G173-G177 PolarHBondContact O-N 3.06Å; I174-G177 PolarHBondContact O-N 2.92Å; G177-L179 PolarHBondContact O-N 3.47Å; G177-S180 WeakPolarHBondContact O-CB 3.43Å; G177-S180 PolarHBondContact O-N 2.84Å; G177-S180 VanDerWaalsContact O-N 3.12Å; G177-L181 PolarHBondContact O-N 2.89Å
178	K	97.1	Very high	97	Very high	4 Å²	4	2.1 Å²	2.1	2%	0.017	1%	0.013	C	C	.	.	H	α-helix	trans	-55.9	-49.5	175.1	-86.8	-61.4	-156.5	-174.6	0	112.1	Y105 V154 I174 S180 L181 Y182 E250 D273 F462	Y105-K178 HydrophobicContact CE1-CD 4.09Å; Y105-K178 HydrophobicContact CE2-CB 4.46Å; Y105-K178 HydrophobicContact CE2-CD 4.01Å; Y105-K178 HydrophobicContact CE2-CG 3.7Å; Y105-K178 WeakPolarHBondContact OH-CE 3.36Å; V154-K178 HydrophobicContact CG1-CB 4.09Å; V154-K178 HydrophobicContact CG1-CG 4.39Å; V154-K178 HydrophobicContact CG2-CB 4.16Å; I174-K178 WeakPolarHBondContact O-CB 3.43Å; I174-K178 PolarHBondContact O-N 2.9Å; K178-S180 VanDerWaalsContact C-N 3.27Å; K178-S180 PolarHBondContact O-N 2.77Å; K178-L181 CarbonylContact O-C 3.46Å; K178-L181 WeakPolarHBondContact O-CA 3.37Å; K178-L181 WeakPolarHBondContact O-CB 3.28Å; K178-L181 PolarHBondContact O-N 2.85Å; K178-Y182 WeakPolarHBondContact O-CD2 3.21Å; K178-Y182 PolarHBondContact O-N 2.97Å; K178-E250 WeakPolarHBondContact CE-OE1 3.4Å; K178-E250 WeakPolarHBondContact CE-OE2 3.32Å; K178-E250 HydrophobicContact CG-CG 4.29Å; K178-E250 IonicContact NZ-OE1 3.58Å; K178-E250 PolarHBondContact NZ-OE1 3.16Å; K178-E250 IonicContact NZ-OE2 2.64Å; K178-D273 IonicContact NZ-OD2 2.73Å; K178-D273 PolarHBondContact NZ-OD2 3.32Å; K178-F462 HydrophobicContact CD-CE1 4Å; K178-F462 HydrophobicContact CD-CE2 4.27Å; K178-F462 HydrophobicContact CD-CZ 3.86Å; K178-F462 VanDerWaalsContact NZ-CE1 3.31Å
179	L	98.3	Very high	97.1	Very high	5 Å²	5	4.3 Å²	4.3	3%	0.026	2%	0.023	C	C	.	.	H	α-helix	trans	-68.4	-27.4	179.4	-72.8	168.1	0	0	0	112.4	A152 V154 P175 G177 L181 Y182 V183 C193 P195	A152-L179 HydrophobicContact CB-CD2 4.37Å; V154-L179 HydrophobicContact CB-CD1 4.17Å; V154-L179 HydrophobicContact CB-CD2 4.45Å; V154-L179 HydrophobicContact CB-CG 4.05Å; V154-L179 HydrophobicContact CG2-CD1 4.24Å; V154-L179 HydrophobicContact CG2-CD2 3.65Å; V154-L179 HydrophobicContact CG2-CG 3.65Å; P175-L179 WeakPolarHBondContact O-CB 3.36Å; P175-L179 WeakPolarHBondContact O-CG 3.15Å; P175-L179 PolarHBondContact O-N 3.06Å; G177-L179 PolarHBondContact O-N 3.47Å; L179-L181 VanDerWaalsContact C-N 3.28Å; L179-L181 PolarHBondContact O-N 3.3Å; L179-Y182 HydrophobicContact CD2-CD1 4.03Å; L179-Y182 HydrophobicContact CD2-CD2 4.39Å; L179-Y182 HydrophobicContact CD2-CE1 4.34Å; L179-Y182 HydrophobicContact CD2-CG 4.09Å; L179-Y182 WeakPolarHBondContact O-CB 3.36Å; L179-Y182 PolarHBondContact O-N 2.98Å; L179-V183 WeakPolarHBondContact O-CG2 3.34Å; L179-V183 PolarHBondContact O-N 3.36Å; L179-C193 HydrophobicContact CB-CB 4.06Å; L179-C193 HydrophobicContact CD1-CB 4.03Å; L179-C193 HydrophobicContact CD2-CB 3.79Å; L179-C193 HydrophobicContact CG-CB 4.16Å; L179-P195 HydrophobicContact CD1-CB 4.05Å; L179-P195 HydrophobicContact CD1-CG 3.6Å; L179-P195 VanDerWaalsContact CD1-N 3.34Å
180	S	97.5	Very high	97.1	Very high	5 Å²	5	4.9 Å²	4.9	4%	0.035	3%	0.027	C	C	.	.	H	α-helix	trans	-64.3	-35.6	169.1	-59.5	0	0	0	0	111.7	Q82 V176 G177 K178 A184	Q82-S180 PolarHBondContact NE2-OG 3.19Å; V176-S180 WeakPolarHBondContact O-CB 3.41Å; V176-S180 PolarHBondContact O-N 2.84Å; V176-S180 PolarHBondContact O-OG 2.87Å; G177-S180 WeakPolarHBondContact O-CB 3.43Å; G177-S180 PolarHBondContact O-N 2.84Å; G177-S180 VanDerWaalsContact O-N 3.12Å; K178-S180 VanDerWaalsContact C-N 3.27Å; K178-S180 PolarHBondContact O-N 2.77Å; S180-A184 WeakPolarHBondContact O-CB 3.31Å; S180-A184 PolarHBondContact O-N 3.36Å
181	L	97.1	Very high	97.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-74.4	-33.3	173.9	-60.9	-172.5	0	0	0	113.2	M101 V104 Y105 G177 K178 L179 V183 A184 L185 F462	M101-L181 HydrophobicContact CG-CD1 4.42Å; M101-L181 HydrophobicContact CG-CD2 3.88Å; V104-L181 HydrophobicContact CG2-CD2 3.95Å; Y105-L181 HydrophobicContact CD1-CD1 3.68Å; Y105-L181 HydrophobicContact CG-CD1 3.71Å; Y105-L181 HydrophobicContact CG-CG 4.48Å; G177-L181 PolarHBondContact O-N 2.89Å; K178-L181 CarbonylContact O-C 3.46Å; K178-L181 WeakPolarHBondContact O-CA 3.37Å; K178-L181 WeakPolarHBondContact O-CB 3.28Å; K178-L181 PolarHBondContact O-N 2.85Å; L179-L181 VanDerWaalsContact C-N 3.28Å; L179-L181 PolarHBondContact O-N 3.3Å; L181-V183 PolarHBondContact O-N 3.46Å; L181-A184 PolarHBondContact O-N 2.96Å; L181-L185 HydrophobicContact CB-CD1 3.91Å; L181-L185 HydrophobicContact CB-CG 4.18Å; L181-L185 HydrophobicContact CD1-CD1 4.42Å; L181-L185 HydrophobicContact CD2-CD1 4.26Å; L181-L185 HydrophobicContact CD2-CG 4.4Å; L181-L185 HydrophobicContact CG-CD1 4.42Å; L181-L185 WeakPolarHBondContact O-CB 3.47Å; L181-L185 VanDerWaalsContact O-CG 3.26Å; L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.44Å; L181-F462 HydrophobicContact CB-CE2 4.02Å; L181-F462 HydrophobicContact CB-CZ 3.72Å; L181-F462 HydrophobicContact CD1-CZ 4Å
182	Y	98.5	Very high	97.2	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-52.2	-47.9	169.8	-90.5	-131.2	0	0	0	110.9	A152 V154 K178 L179 A186 G187 V188 L246 Q248 F462 A466	A152-Y182 HydrophobicContact CB-CD1 4.34Å; A152-Y182 HydrophobicContact CB-CE1 4.14Å; V154-Y182 HydrophobicContact CG2-CE2 4.24Å; K178-Y182 WeakPolarHBondContact O-CD2 3.21Å; K178-Y182 PolarHBondContact O-N 2.97Å; L179-Y182 HydrophobicContact CD2-CD1 4.03Å; L179-Y182 HydrophobicContact CD2-CD2 4.39Å; L179-Y182 HydrophobicContact CD2-CE1 4.34Å; L179-Y182 HydrophobicContact CD2-CG 4.09Å; L179-Y182 WeakPolarHBondContact O-CB 3.36Å; L179-Y182 PolarHBondContact O-N 2.98Å; Y182-A186 WeakPolarHBondContact O-CB 3.36Å; Y182-A186 PolarHBondContact O-N 2.91Å; Y182-G187 PolarHBondContact O-N 3.47Å; Y182-V188 HydrophobicContact CD1-CB 4.41Å; Y182-V188 HydrophobicContact CD1-CG1 4.34Å; Y182-V188 HydrophobicContact CD1-CG2 3.95Å; Y182-V188 HydrophobicContact CG-CG2 4.4Å; Y182-V188 PolarHBondContact O-N 3.13Å; Y182-L246 HydrophobicContact CE1-CD2 4.15Å; Y182-Q248 VanDerWaalsContact CZ-OE1 3.29Å; Y182-Q248 PolarHBondContact OH-OE1 3.39Å; Y182-F462 AromaticContact CD2-CD2 3.44Å; Y182-F462 HydrophobicContact CD2-CD2 3.44Å; Y182-F462 VanDerWaalsContact CD2-CD2 3.44Å; Y182-F462 AromaticContact CD2-CE2 3.41Å; Y182-F462 HydrophobicContact CD2-CE2 3.41Å; Y182-F462 VanDerWaalsContact CD2-CE2 3.41Å; Y182-F462 AromaticContact CE2-CD2 3.18Å; Y182-F462 HydrophobicContact CE2-CD2 3.18Å; Y182-F462 AromaticContact CE2-CE2 3.62Å; Y182-F462 HydrophobicContact CE2-CE2 3.62Å; Y182-F462 HydrophobicContact CE2-CG 4.21Å; Y182-A466 HydrophobicContact CD1-CB 3.75Å; Y182-A466 HydrophobicContact CE1-CB 3.11Å; Y182-A466 HydrophobicContact CE2-CB 4.5Å
183	V	98.2	Very high	97.3	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.006	4%	0.043	C	C	.	.	I	π-helix	trans	-72.9	-49.2	-178.9	-179.2	0	0	0	0	110.9	Y90 L179 L181 L185 G187 V188 P190 Y549	Y90-V183 HydrophobicContact CD1-CB 4Å; Y90-V183 HydrophobicContact CD1-CG1 3.56Å; Y90-V183 HydrophobicContact CD2-CG1 3.83Å; Y90-V183 HydrophobicContact CE1-CB 3.38Å; Y90-V183 HydrophobicContact CE1-CG1 3.37Å; Y90-V183 HydrophobicContact CE1-CG2 4.16Å; Y90-V183 HydrophobicContact CE2-CB 4.27Å; Y90-V183 HydrophobicContact CE2-CG1 3.65Å; Y90-V183 HydrophobicContact CG-CG1 3.8Å; Y90-V183 VanDerWaalsContact CZ-CG1 3.42Å; L179-V183 WeakPolarHBondContact O-CG2 3.34Å; L179-V183 PolarHBondContact O-N 3.36Å; L181-V183 PolarHBondContact O-N 3.46Å; V183-L185 PolarHBondContact O-N 2.86Å; V183-G187 WeakPolarHBondContact O-CA 3.49Å; V183-G187 PolarHBondContact O-N 3.35Å; V183-V188 WeakPolarHBondContact CA-O 3.47Å; V183-V188 WeakPolarHBondContact CG1-O 3.32Å; V183-V188 VanDerWaalsContact CG2-O 3.32Å; V183-V188 WeakPolarHBondContact CG2-O 3.22Å; V183-P190 HydrophobicContact CG1-CB 4.47Å; V183-P190 HydrophobicContact CG1-CG 4.46Å; V183-P190 HydrophobicContact CG2-CB 3.94Å; V183-Y549 HydrophobicContact CG1-CD1 3.66Å; V183-Y549 HydrophobicContact CG1-CE1 4.14Å; V183-Y549 HydrophobicContact CG1-CG 4.06Å
184	A	96.9	Very high	97.5	Very high	3 Å²	3	7.5 Å²	7.5	3%	0.025	4%	0.043	C	C	.	.	I	π-helix	trans	-68.7	-37.7	-174.9	0	0	0	0	0	113.5	Y90 L93 C94 S180 L181 R511	Y90-A184 HydrophobicContact CD1-CB 4.36Å; L93-A184 HydrophobicContact CD2-CB 3.53Å; L93-A184 HydrophobicContact CG-CB 3.8Å; C94-A184 PolarHBondContact SG-O 3.12Å; S180-A184 WeakPolarHBondContact O-CB 3.31Å; S180-A184 PolarHBondContact O-N 3.36Å; L181-A184 PolarHBondContact O-N 2.96Å; A184-R511 WeakPolarHBondContact O-CD 3.47Å; A184-R511 WeakPolarHBondContact O-CG 3.37Å
185	L	96.8	Very high	97.7	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.005	5%	0.045	C	C	.	.	I	π-helix	trans	-95.8	-28.6	-170.3	-52.8	-174.7	0	0	0	113.3	V97 M101 L181 V183 S459 P463 I510 R511 S514	V97-L185 HydrophobicContact CG2-CD2 3.46Å; V97-L185 VanDerWaalsContact CG2-CD2 3.46Å; M101-L185 HydrophobicContact SD-CD1 4.48Å; L181-L185 HydrophobicContact CB-CD1 3.91Å; L181-L185 HydrophobicContact CB-CG 4.18Å; L181-L185 HydrophobicContact CD1-CD1 4.42Å; L181-L185 HydrophobicContact CD2-CD1 4.26Å; L181-L185 HydrophobicContact CD2-CG 4.4Å; L181-L185 HydrophobicContact CG-CD1 4.42Å; L181-L185 WeakPolarHBondContact O-CB 3.47Å; L181-L185 VanDerWaalsContact O-CG 3.26Å; L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.44Å; V183-L185 PolarHBondContact O-N 2.86Å; L185-S459 VanDerWaalsContact CD1-CB 3.5Å; L185-P463 HydrophobicContact CB-CB 3.94Å; L185-P463 HydrophobicContact CB-CG 3.77Å; L185-P463 HydrophobicContact CD1-CG 4.02Å; L185-P463 HydrophobicContact CG-CG 4.49Å; L185-I510 HydrophobicContact CB-CG1 4.1Å; L185-I510 HydrophobicContact CD2-CG1 4.22Å; L185-I510 HydrophobicContact CD2-CG2 3.97Å; L185-R511 VanDerWaalsContact O-CA 3.22Å; L185-R511 WeakPolarHBondContact O-CA 3.22Å; L185-R511 WeakPolarHBondContact O-CG 3.34Å; L185-S514 WeakPolarHBondContact O-CB 3.28Å; L185-S514 PolarHBondContact O-OG 2.8Å
186	A	97.5	Very high	97.7	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.008	5%	0.045	C	C	.	.	I	π-helix	trans	-115.6	-19.7	176.3	0	0	0	0	0	113.8	Y182 V188 P463 L467 V548	Y182-A186 WeakPolarHBondContact O-CB 3.36Å; Y182-A186 PolarHBondContact O-N 2.91Å; A186-V188 HydrophobicContact CB-CG2 4.36Å; A186-P463 VanDerWaalsContact CB-C 3.43Å; A186-P463 HydrophobicContact CB-CB 3.41Å; A186-P463 VanDerWaalsContact CB-CB 3.41Å; A186-P463 VanDerWaalsContact CB-O 3.23Å; A186-P463 WeakPolarHBondContact CB-O 3.43Å; A186-L467 HydrophobicContact CB-CB 4.11Å; A186-L467 HydrophobicContact CB-CD2 4.13Å; A186-L467 WeakPolarHBondContact O-CD2 3.47Å; A186-V548 WeakPolarHBondContact O-CG1 3.47Å
187	G	97.6	Very high	97.8	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.041	C	C	.	.			trans	77.1	32	-169.9	0	0	0	0	0	112.5	Y182 V183 V548 Y549	Y182-G187 PolarHBondContact O-N 3.47Å; V183-G187 WeakPolarHBondContact O-CA 3.49Å; V183-G187 PolarHBondContact O-N 3.35Å; G187-V548 CarbonylContact O-C 3.57Å; G187-V548 VanDerWaalsContact O-CA 3.24Å; G187-V548 WeakPolarHBondContact O-CA 3.47Å; G187-Y549 PolarHBondContact O-N 3.33Å
188	V	98.5	Very high	97.9	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.04	C	C	.	.			trans	-58.3	144.6	163.3	179	0	0	0	0	108.6	Y182 V183 A186 W192 L467 I470	Y182-V188 HydrophobicContact CD1-CB 4.41Å; Y182-V188 HydrophobicContact CD1-CG1 4.34Å; Y182-V188 HydrophobicContact CD1-CG2 3.95Å; Y182-V188 HydrophobicContact CG-CG2 4.4Å; Y182-V188 PolarHBondContact O-N 3.13Å; V183-V188 WeakPolarHBondContact CA-O 3.47Å; V183-V188 WeakPolarHBondContact CG1-O 3.32Å; V183-V188 VanDerWaalsContact CG2-O 3.32Å; V183-V188 WeakPolarHBondContact CG2-O 3.22Å; A186-V188 HydrophobicContact CB-CG2 4.36Å; V188-W192 HydrophobicContact CG1-CE3 4.2Å; V188-L467 HydrophobicContact CG2-CB 4.23Å; V188-L467 HydrophobicContact CG2-CD1 4.33Å; V188-I470 HydrophobicContact CG1-CD1 3.91Å; V188-I470 HydrophobicContact CG2-CD1 4.31Å
189	Q	98	Very high	98	Very high	46 Å²	46	7.3 Å²	7.3	22%	0.215	4%	0.041	C	C	.	.			trans	-69.4	129.5	177.2	-58.6	-70.7	-23.3	0	0	110	S191 W192 C193 N547	Q189-S191 PolarHBondContact O-N 3.29Å; Q189-W192 HydrophobicContact CB-CB 4.37Å; Q189-W192 HydrophobicContact CB-CD2 3.46Å; Q189-W192 VanDerWaalsContact CB-CD2 3.46Å; Q189-W192 HydrophobicContact CB-CE3 3.75Å; Q189-W192 HydrophobicContact CB-CG 3.74Å; Q189-W192 HydrophobicContact CB-CH2 4.45Å; Q189-W192 HydrophobicContact CB-CZ2 4.21Å; Q189-W192 HydrophobicContact CB-CZ3 4.24Å; Q189-W192 HydrophobicContact CG-CD2 3.67Å; Q189-W192 HydrophobicContact CG-CE3 3.75Å; Q189-W192 HydrophobicContact CG-CG 4.43Å; Q189-W192 HydrophobicContact CG-CH2 3.57Å; Q189-W192 HydrophobicContact CG-CZ2 3.49Å; Q189-W192 VanDerWaalsContact CG-CZ2 3.49Å; Q189-W192 HydrophobicContact CG-CZ3 3.71Å; Q189-W192 WeakPolarHBondContact O-CB 3.39Å; Q189-W192 PolarHBondContact O-N 3.29Å; Q189-C193 PolarHBondContact O-SG 2.91Å; Q189-C193 VanDerWaalsContact O-SG 3.39Å; Q189-N547 PolarHBondContact NE2-O 2.94Å
190	P	97.6	Very high	98	Very high	13 Å²	13	7.1 Å²	7.1	8%	0.084	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-62	-30.1	179.9	22.5	-31	0	0	0	112.8	E86 Y90 V183 W192 C193 Y549	E86-P190 VanDerWaalsContact CD-CG 3.41Å; E86-P190 HydrophobicContact CG-CG 4.34Å; E86-P190 WeakPolarHBondContact OE1-CG 3.12Å; Y90-P190 HydrophobicContact CE2-CB 3.87Å; Y90-P190 HydrophobicContact CE2-CG 4.12Å; V183-P190 HydrophobicContact CG1-CB 4.47Å; V183-P190 HydrophobicContact CG1-CG 4.46Å; V183-P190 HydrophobicContact CG2-CB 3.94Å; P190-W192 PolarHBondContact O-N 3.45Å; P190-C193 WeakPolarHBondContact O-CB 3.25Å; P190-C193 PolarHBondContact O-N 3.4Å; P190-Y549 VanDerWaalsContact CD-CE2 3.48Å; P190-Y549 HydrophobicContact CG-CD2 3.88Å; P190-Y549 HydrophobicContact CG-CE2 3.51Å
191	S	96.4	Very high	98	Very high	30 Å²	30	6.9 Å²	6.9	21%	0.21	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-67.9	-18.6	174.4	57.6	0	0	0	0	113.9	E147 Q189 C193	E147-S191 WeakPolarHBondContact CG-O 3.29Å; Q189-S191 PolarHBondContact O-N 3.29Å; S191-C193 VanDerWaalsContact C-N 3.3Å
192	W	98.3	Very high	98.1	Very high	18 Å²	18	6.9 Å²	6.9	7%	0.068	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-83.1	-10.3	175.3	-62.1	-15.9	0	0	0	112.9	D149 R151 A152 V188 Q189 P190 I470 N547	D149-W192 VanDerWaalsContact O-CD1 3.23Å; D149-W192 PolarHBondContact OD2-NE1 3.31Å; R151-W192 HydrophobicContact CB-CB 4.04Å; R151-W192 HydrophobicContact CB-CG 4.26Å; R151-W192 HydrophobicContact CG-CB 4.2Å; R151-W192 HydrophobicContact CG-CD2 4.3Å; R151-W192 HydrophobicContact CG-CG 3.97Å; R151-W192 PolarHBondContact N-O 3.35Å; A152-W192 PolarHBondContact N-O 3.27Å; V188-W192 HydrophobicContact CG1-CE3 4.2Å; Q189-W192 HydrophobicContact CB-CB 4.37Å; Q189-W192 HydrophobicContact CB-CD2 3.46Å; Q189-W192 VanDerWaalsContact CB-CD2 3.46Å; Q189-W192 HydrophobicContact CB-CE3 3.75Å; Q189-W192 HydrophobicContact CB-CG 3.74Å; Q189-W192 HydrophobicContact CB-CH2 4.45Å; Q189-W192 HydrophobicContact CB-CZ2 4.21Å; Q189-W192 HydrophobicContact CB-CZ3 4.24Å; Q189-W192 HydrophobicContact CG-CD2 3.67Å; Q189-W192 HydrophobicContact CG-CE3 3.75Å; Q189-W192 HydrophobicContact CG-CG 4.43Å; Q189-W192 HydrophobicContact CG-CH2 3.57Å; Q189-W192 HydrophobicContact CG-CZ2 3.49Å; Q189-W192 VanDerWaalsContact CG-CZ2 3.49Å; Q189-W192 HydrophobicContact CG-CZ3 3.71Å; Q189-W192 WeakPolarHBondContact O-CB 3.39Å; Q189-W192 PolarHBondContact O-N 3.29Å; P190-W192 PolarHBondContact O-N 3.45Å; W192-I470 HydrophobicContact CE3-CG2 3.71Å; W192-I470 HydrophobicContact CZ3-CG2 3.78Å; W192-N547 HydrophobicContact CH2-CB 4.47Å
193	C	98.6	Very high	98.1	Very high	11 Å²	11	10.8 Å²	10.8	7%	0.074	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.5	-170	-63.3	0	0	0	0	111.6	A152 L179 Q189 P190 S191	A152-C193 CarbonylContact O-C 3.51Å; A152-C193 WeakPolarHBondContact O-CA 3.24Å; L179-C193 HydrophobicContact CB-CB 4.06Å; L179-C193 HydrophobicContact CD1-CB 4.03Å; L179-C193 HydrophobicContact CD2-CB 3.79Å; L179-C193 HydrophobicContact CG-CB 4.16Å; Q189-C193 PolarHBondContact O-SG 2.91Å; Q189-C193 VanDerWaalsContact O-SG 3.39Å; P190-C193 WeakPolarHBondContact O-CB 3.25Å; P190-C193 PolarHBondContact O-N 3.4Å; S191-C193 VanDerWaalsContact C-N 3.3Å
194	L	98.7	Very high	98	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	109	174.9	171.4	58.3	0	0	0	111.1	V126 L142 W145 V150 A152 I153 V154 V196 F241	V126-L194 HydrophobicContact CB-CD1 4.3Å; V126-L194 HydrophobicContact CG2-CD1 3.75Å; L142-L194 HydrophobicContact CD2-CD2 3.98Å; W145-L194 HydrophobicContact CD2-CD1 3.58Å; W145-L194 HydrophobicContact CE3-CD1 3.95Å; W145-L194 HydrophobicContact CG-CD1 3.9Å; W145-L194 HydrophobicContact CH2-CD1 4.48Å; W145-L194 HydrophobicContact CZ2-CD1 4.15Å; W145-L194 HydrophobicContact CZ3-CD1 4.39Å; V150-L194 HydrophobicContact CG1-CB 3.53Å; V150-L194 HydrophobicContact CG1-CD2 4.19Å; V150-L194 HydrophobicContact CG2-CB 4.16Å; V150-L194 HydrophobicContact CG2-CD2 4.42Å; A152-L194 PolarHBondContact O-N 2.95Å; I153-L194 VanDerWaalsContact CA-O 3.31Å; I153-L194 WeakPolarHBondContact CA-O 3.33Å; I153-L194 HydrophobicContact CD1-CD2 4.24Å; I153-L194 HydrophobicContact CG1-CB 3.99Å; I153-L194 HydrophobicContact CG1-CD2 4.12Å; I153-L194 HydrophobicContact CG1-CG 4.25Å; V154-L194 PolarHBondContact N-O 3.01Å; L194-V196 HydrophobicContact CD1-CG2 4.44Å; L194-V196 HydrophobicContact CD2-CG2 4.27Å; L194-V196 HydrophobicContact CG-CG2 3.88Å; L194-F241 HydrophobicContact CD2-CE2 3.78Å; L194-F241 HydrophobicContact CD2-CZ 3.92Å
195	P	98.6	Very high	98.1	Very high	10 Å²	10	17 Å²	17	7%	0.065	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.1	172.3	-15	30.8	0	0	0	111.2	K124 G125 V126 M172 P175 V176 L179	K124-P195 WeakPolarHBondContact O-CD 3.4Å; K124-P195 WeakPolarHBondContact O-CG 3.39Å; G125-P195 CarbonylContact C-O 3.53Å; G125-P195 WeakPolarHBondContact CA-O 3.38Å; V126-P195 PolarHBondContact N-O 3.37Å; M172-P195 HydrophobicContact SD-CB 4Å; P175-P195 HydrophobicContact CB-CB 3.65Å; V176-P195 HydrophobicContact CG2-CB 3.82Å; V176-P195 HydrophobicContact CG2-CG 3.9Å; L179-P195 HydrophobicContact CD1-CB 4.05Å; L179-P195 HydrophobicContact CD1-CG 3.6Å; L179-P195 VanDerWaalsContact CD1-N 3.34Å
196	V	98.8	Very high	98	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.6	-179.3	-178.5	0	0	0	0	111.9	V126 I128 I153 V154 V155 T156 P175 L194 L198 F233	V126-V196 HydrophobicContact CB-CG2 4.49Å; V126-V196 WeakPolarHBondContact O-CA 3.21Å; I128-V196 HydrophobicContact CD1-CG1 3.79Å; I128-V196 HydrophobicContact CG1-CG1 4.4Å; I153-V196 HydrophobicContact CG2-CB 4.21Å; I153-V196 HydrophobicContact CG2-CG2 3.67Å; V154-V196 PolarHBondContact O-N 2.98Å; V155-V196 WeakPolarHBondContact CA-O 3.21Å; V155-V196 HydrophobicContact CB-CB 4.17Å; V155-V196 HydrophobicContact CG2-CB 4.05Å; V155-V196 HydrophobicContact CG2-CG1 3.89Å; T156-V196 PolarHBondContact N-O 2.83Å; T156-V196 VanDerWaalsContact N-O 3.16Å; P175-V196 WeakPolarHBondContact CG-O 3.4Å; L194-V196 HydrophobicContact CD1-CG2 4.44Å; L194-V196 HydrophobicContact CD2-CG2 4.27Å; L194-V196 HydrophobicContact CG-CG2 3.88Å; V196-L198 HydrophobicContact CG1-CD2 4.15Å; V196-F233 HydrophobicContact CG1-CE2 3.9Å; V196-F233 HydrophobicContact CG1-CZ 4.2Å; V196-F233 HydrophobicContact CG2-CE2 4.38Å
197	V	98.4	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.7	165	174.4	0	0	0	0	110.5	V126 Y127 I128 T156 M172	V126-V197 PolarHBondContact O-N 3.49Å; Y127-V197 HydrophobicContact CD1-CB 4.11Å; Y127-V197 HydrophobicContact CE1-CB 4.44Å; I128-V197 PolarHBondContact N-O 3.44Å; T156-V197 HydrophobicContact CG2-CG2 3.87Å; T156-V197 CarbonylContact O-C 3.53Å; T156-V197 VanDerWaalsContact O-CA 3.32Å; T156-V197 WeakPolarHBondContact O-CA 3.08Å; M172-V197 VanDerWaalsContact CA-CG2 3.44Å; M172-V197 HydrophobicContact CB-CG2 3.74Å; M172-V197 HydrophobicContact CE-CB 3.89Å; M172-V197 HydrophobicContact CE-CG2 3.55Å; M172-V197 HydrophobicContact CG-CG2 4.43Å; M172-V197 HydrophobicContact SD-CG2 3.95Å
198	L	98.7	Very high	98	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	98.8	168.3	-56.4	-175	0	0	0	109.1	I128 V155 T156 D157 V196 V200 V230 F233	I128-L198 HydrophobicContact CB-CD2 3.86Å; I128-L198 HydrophobicContact CD1-CD2 4.02Å; I128-L198 HydrophobicContact CG1-CD2 4.47Å; I128-L198 HydrophobicContact CG2-CD2 4.27Å; I128-L198 CarbonylContact O-C 3.55Å; I128-L198 WeakPolarHBondContact O-CA 3.43Å; V155-L198 HydrophobicContact CG2-CD1 3.99Å; V155-L198 HydrophobicContact CG2-CD2 4.22Å; V155-L198 HydrophobicContact CG2-CG 3.65Å; T156-L198 PolarHBondContact O-N 3.26Å; D157-L198 WeakPolarHBondContact CA-O 3.43Å; D157-L198 HydrophobicContact CB-CB 4.42Å; V196-L198 HydrophobicContact CG1-CD2 4.15Å; L198-V200 PolarHBondContact O-N 3.28Å; L198-V230 HydrophobicContact CD1-CG2 3.94Å; L198-F233 HydrophobicContact CD1-CD1 4.34Å; L198-F233 HydrophobicContact CD2-CB 4.35Å; L198-F233 HydrophobicContact CD2-CD1 4.48Å; L198-F233 HydrophobicContact CD2-CD2 4.14Å; L198-F233 HydrophobicContact CD2-CG 4.06Å
199	D	98.4	Very high	97.9	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.048	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	97.5	-177.7	-171.9	1.2	0	0	0	111.1	I128 S129 V130 G201 G215 V216	I128-D199 PolarHBondContact O-N 3.31Å; S129-D199 CarbonylContact C-O 3.52Å; S129-D199 VanDerWaalsContact CA-O 3.23Å; S129-D199 WeakPolarHBondContact CA-O 3.35Å; V130-D199 PolarHBondContact N-O 3.09Å; D199-G201 PolarHBondContact OD1-N 3.49Å; D199-G215 WeakPolarHBondContact OD2-CA 3.46Å; D199-V216 HydrophobicContact CB-CG2 4.47Å; D199-V216 WeakPolarHBondContact OD2-CG2 3.34Å; D199-V216 PolarHBondContact OD2-N 3.46Å
200	V	98.4	Very high	97.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	16%	0.157	C	C	.	.			trans	-101.7	17.4	177.4	-63	0	0	0	0	113.2	V130 L198 R220 V221 Y226 L229	V130-V200 HydrophobicContact CB-CB 4.43Å; V130-V200 HydrophobicContact CB-CG1 4.22Å; L198-V200 PolarHBondContact O-N 3.28Å; V200-R220 HydrophobicContact CG2-CG 4.45Å; V200-R220 CarbonylContact O-C 3.59Å; V200-R220 VanDerWaalsContact O-CA 3.26Å; V200-R220 WeakPolarHBondContact O-CA 3.09Å; V200-V221 HydrophobicContact CB-CB 4.48Å; V200-V221 PolarHBondContact O-N 3.34Å; V200-Y226 HydrophobicContact CB-CD2 4.04Å; V200-Y226 HydrophobicContact CB-CE2 4.31Å; V200-Y226 HydrophobicContact CG1-CD2 3.55Å; V200-Y226 HydrophobicContact CG1-CE2 3.84Å; V200-Y226 HydrophobicContact CG2-CD2 3.8Å; V200-Y226 HydrophobicContact CG2-CE2 3.7Å; V200-L229 HydrophobicContact CG1-CD2 3.34Å
201	G	98.2	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.184	C	C	.	.			trans	96.8	-176.3	-168.9	0	0	0	0	0	112.2	D199 E218 R220	D199-G201 PolarHBondContact OD1-N 3.49Å; G201-E218 CarbonylContact C-O 3.39Å; G201-E218 WeakPolarHBondContact CA-O 3.34Å; G201-R220 VanDerWaalsContact O-CG 3.31Å; G201-R220 WeakPolarHBondContact O-CG 3.34Å
202	T	98.5	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.			trans	-143.5	142.1	178.6	-178.2	0	0	0	0	111.2	D166 N204 L207 L208 Y213 E218	D166-T202 PolarHBondContact OD1-OG1 3.3Å; D166-T202 PolarHBondContact OD2-OG1 2.71Å; T202-N204 VanDerWaalsContact C-N 3.28Å; T202-N204 WeakPolarHBondContact OG1-CB 3.5Å; T202-N204 PolarHBondContact OG1-N 3.05Å; T202-N204 VanDerWaalsContact OG1-N 3.14Å; T202-L207 HydrophobicContact CG2-CB 4.24Å; T202-L208 HydrophobicContact CG2-CD2 3.74Å; T202-L208 HydrophobicContact CG2-CG 3.98Å; T202-Y213 HydrophobicContact CG2-CE1 3.89Å; T202-E218 PolarHBondContact N-O 2.63Å
203	E	98.1	Very high	97.2	Very high	82 Å²	82	37.5 Å²	37.5	38%	0.383	20%	0.199	S	C	.	.			trans	-80.6	-14.5	171.5	-64.8	-54.5	140	0	0	112.1	D166 Q205 K219 R220	D166-E203 PolarHBondContact OD2-N 3.28Å; E203-Q205 PolarHBondContact O-N 2.86Å; E203-K219 PolarHBondContact O-NZ 3.13Å; E203-K219 WeakPolarHBondContact OE2-CD 3.39Å; E203-K219 IonicContact OE2-NZ 2.86Å; E203-R220 HydrophobicContact CG-CB 4.31Å; E203-R220 HydrophobicContact CG-CG 4.17Å; E203-R220 WeakPolarHBondContact OE1-CB 3.28Å; E203-R220 PolarHBondContact OE1-N 2.71Å
204	N	97.3	Very high	96.9	Very high	42 Å²	42	40.5 Å²	40.5	23%	0.225	22%	0.217	C	C	.	.			trans	-70	103.5	-176.9	-171.7	-29.4	0	0	0	111.5	D166 T202 T206 L207 L208	D166-N204 HydrophobicContact CB-CB 4.42Å; D166-N204 WeakPolarHBondContact O-CB 3.31Å; D166-N204 PolarHBondContact O-ND2 3.17Å; T202-N204 VanDerWaalsContact C-N 3.28Å; T202-N204 WeakPolarHBondContact OG1-CB 3.5Å; T202-N204 PolarHBondContact OG1-N 3.05Å; T202-N204 VanDerWaalsContact OG1-N 3.14Å; N204-T206 PolarHBondContact O-N 2.62Å; N204-T206 VanDerWaalsContact OD1-CB 3.29Å; N204-T206 WeakPolarHBondContact OD1-CB 3.42Å; N204-T206 PolarHBondContact OD1-N 2.69Å; N204-L207 HydrophobicContact CB-CB 4.22Å; N204-L207 HydrophobicContact CB-CD1 4.04Å; N204-L207 HydrophobicContact CB-CG 4.12Å; N204-L207 PolarHBondContact O-N 2.95Å; N204-L207 VanDerWaalsContact O-N 3.13Å; N204-L207 PolarHBondContact OD1-N 3Å; N204-L208 PolarHBondContact O-N 2.85Å
205	Q	97.7	Very high	96.8	Very high	94 Å²	94	41.1 Å²	41.1	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-63.9	-30.2	-177.7	-163.9	59.9	49.2	0	0	113	E203 L207 L208 N209	E203-Q205 PolarHBondContact O-N 2.86Å; Q205-L207 VanDerWaalsContact C-N 3.33Å; Q205-L208 PolarHBondContact O-N 2.88Å; Q205-N209 PolarHBondContact NE2-OD1 2.7Å; Q205-N209 WeakPolarHBondContact O-CB 3.26Å; Q205-N209 PolarHBondContact O-N 3.16Å; Q205-N209 PolarHBondContact O-ND2 3.24Å
206	T	96.2	Very high	96.7	Very high	112 Å²	112	41.6 Å²	41.6	69%	0.687	23%	0.226	S	C	*	.	H	α-helix	trans	-62.8	-42.4	175.4	-57	0	0	0	0	110.7	N204 N209 D210	N204-T206 PolarHBondContact O-N 2.62Å; N204-T206 VanDerWaalsContact OD1-CB 3.29Å; N204-T206 WeakPolarHBondContact OD1-CB 3.42Å; N204-T206 PolarHBondContact OD1-N 2.69Å; T206-N209 PolarHBondContact O-N 2.92Å; T206-D210 WeakPolarHBondContact O-CB 3.11Å; T206-D210 PolarHBondContact O-N 3.48Å; T206-D210 VanDerWaalsContact O-N 3.08Å
207	L	96.4	Very high	96.6	Very high	11 Å²	11	46.7 Å²	46.7	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-70.6	-40.9	177.1	-66.4	-178.8	0	0	0	112.6	L167 T202 N204 Q205 N209 D210 Y213	L167-L207 VanDerWaalsContact C-CD1 3.5Å; L167-L207 WeakPolarHBondContact O-CD1 3.46Å; T202-L207 HydrophobicContact CG2-CB 4.24Å; N204-L207 HydrophobicContact CB-CB 4.22Å; N204-L207 HydrophobicContact CB-CD1 4.04Å; N204-L207 HydrophobicContact CB-CG 4.12Å; N204-L207 PolarHBondContact O-N 2.95Å; N204-L207 VanDerWaalsContact O-N 3.13Å; N204-L207 PolarHBondContact OD1-N 3Å; Q205-L207 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 3.43Å; L207-D210 WeakPolarHBondContact O-CB 3.32Å; L207-D210 PolarHBondContact O-N 3.49Å; L207-Y213 HydrophobicContact CB-CD1 4.41Å; L207-Y213 HydrophobicContact CB-CD2 4.09Å; L207-Y213 HydrophobicContact CB-CE2 4.34Å; L207-Y213 HydrophobicContact CB-CG 4.12Å; L207-Y213 HydrophobicContact CD1-CD2 4.35Å; L207-Y213 HydrophobicContact CD1-CE2 4.1Å; L207-Y213 HydrophobicContact CD2-CD2 4.18Å; L207-Y213 HydrophobicContact CG-CD2 4.44Å; L207-Y213 VanDerWaalsContact O-CB 3.23Å; L207-Y213 WeakPolarHBondContact O-CB 3.27Å
208	L	97.2	Very high	96.5	Very high	27 Å²	27	51.5 Å²	51.5	14%	0.141	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-34.4	175.7	-68.4	176.3	0	0	0	112.3	T202 N204 Q205 K219	T202-L208 HydrophobicContact CG2-CD2 3.74Å; T202-L208 HydrophobicContact CG2-CG 3.98Å; N204-L208 PolarHBondContact O-N 2.85Å; Q205-L208 PolarHBondContact O-N 2.88Å; L208-K219 HydrophobicContact CD1-CD 3.93Å; L208-K219 VanDerWaalsContact CD1-CE 3.44Å
209	N	96.5	Very high	96.5	Very high	117 Å²	117	55.8 Å²	55.8	63%	0.626	29%	0.29	S	S	*	.	H	α-helix	trans	-85.4	-12.3	178.1	-64.4	-12	0	0	0	113.2	Q205 T206 L207 P211	Q205-N209 PolarHBondContact NE2-OD1 2.7Å; Q205-N209 WeakPolarHBondContact O-CB 3.26Å; Q205-N209 PolarHBondContact O-N 3.16Å; Q205-N209 PolarHBondContact O-ND2 3.24Å; T206-N209 PolarHBondContact O-N 2.92Å; L207-N209 PolarHBondContact O-N 3.43Å; N209-P211 WeakPolarHBondContact O-CD 3.41Å
210	D	94.9	Very high	96.5	Very high	36 Å²	36	56 Å²	56	19%	0.193	29%	0.289	C	S	.	.			trans	-76.6	121.7	-178.1	-176	-4.5	0	0	0	110.1	T206 L207 F212 Y213 K217	T206-D210 WeakPolarHBondContact O-CB 3.11Å; T206-D210 PolarHBondContact O-N 3.48Å; T206-D210 VanDerWaalsContact O-N 3.08Å; L207-D210 WeakPolarHBondContact O-CB 3.32Å; L207-D210 PolarHBondContact O-N 3.49Å; D210-F212 PolarHBondContact O-N 2.62Å; D210-F212 WeakPolarHBondContact OD1-CB 3.42Å; D210-F212 PolarHBondContact OD1-N 3.28Å; D210-Y213 PolarHBondContact O-N 3.43Å; D210-K217 PolarHBondContact O-NZ 2.88Å
211	P	92.7	Very high	96.5	Very high	99 Å²	99	57.1 Å²	57.1	64%	0.643	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26	175	26.1	-35	0	0	0	112.9	N209	N209-P211 WeakPolarHBondContact O-CD 3.41Å
212	F	92.9	Very high	96.4	Very high	128 Å²	128	62 Å²	62	56%	0.561	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	0.1	-178.6	-54.6	-65.6	0	0	0	114	D210 T214	D210-F212 PolarHBondContact O-N 2.62Å; D210-F212 WeakPolarHBondContact OD1-CB 3.42Å; D210-F212 PolarHBondContact OD1-N 3.28Å; F212-T214 PolarHBondContact O-N 3.05Å
213	Y	95.1	Very high	96.3	Very high	8 Å²	8	64.1 Å²	64.1	3%	0.031	34%	0.336	C	S	.	.			trans	-65.3	126.3	172.7	179.7	-122.9	0	0	0	110.2	G168 A169 T202 L207 D210 G215 K217	G168-Y213 WeakPolarHBondContact CA-OH 3.38Å; A169-Y213 HydrophobicContact CB-CE2 4.22Å; A169-Y213 PolarHBondContact N-OH 2.76Å; T202-Y213 HydrophobicContact CG2-CE1 3.89Å; L207-Y213 HydrophobicContact CB-CD1 4.41Å; L207-Y213 HydrophobicContact CB-CD2 4.09Å; L207-Y213 HydrophobicContact CB-CE2 4.34Å; L207-Y213 HydrophobicContact CB-CG 4.12Å; L207-Y213 HydrophobicContact CD1-CD2 4.35Å; L207-Y213 HydrophobicContact CD1-CE2 4.1Å; L207-Y213 HydrophobicContact CD2-CD2 4.18Å; L207-Y213 HydrophobicContact CG-CD2 4.44Å; L207-Y213 VanDerWaalsContact O-CB 3.23Å; L207-Y213 WeakPolarHBondContact O-CB 3.27Å; D210-Y213 PolarHBondContact O-N 3.43Å; Y213-G215 VanDerWaalsContact CE1-C 3.48Å; Y213-G215 VanDerWaalsContact CZ-CA 3.49Å; Y213-K217 HydrophobicContact CD1-CG 4.19Å
214	T	92.8	Very high	96.2	Very high	75 Å²	75	66.5 Å²	66.5	46%	0.46	35%	0.347	S	S	.	.			trans	-98.7	-2.1	-172.8	51.2	0	0	0	0	113.7	L120 F212	L120-T214 HydrophobicContact CD2-CG2 4.42Å; F212-T214 PolarHBondContact O-N 3.05Å
215	G	96.3	Very high	96.1	Very high	12 Å²	12	69.3 Å²	69.3	12%	0.124	36%	0.358	C	S	.	.	S	Bend	trans	-90.8	-178.5	174.8	0	0	0	0	0	114.1	A169 D199 Y213 K217	A169-G215 VanDerWaalsContact CB-CA 3.41Å; D199-G215 WeakPolarHBondContact OD2-CA 3.46Å; Y213-G215 VanDerWaalsContact CE1-C 3.48Å; Y213-G215 VanDerWaalsContact CZ-CA 3.49Å; G215-K217 PolarHBondContact O-N 3.41Å
216	V	97.1	Very high	96.1	Very high	21 Å²	21	65 Å²	65	13%	0.127	34%	0.337	C	S	.	.			trans	-60.8	118.5	176.3	175.7	0	0	0	0	109.5	D199 E218	D199-V216 HydrophobicContact CB-CG2 4.47Å; D199-V216 WeakPolarHBondContact OD2-CG2 3.34Å; D199-V216 PolarHBondContact OD2-N 3.46Å; V216-E218 HydrophobicContact CG1-CB 3.86Å; V216-E218 HydrophobicContact CG1-CG 3.92Å; V216-E218 PolarHBondContact O-N 3.15Å
217	K	96.4	Very high	96.2	Very high	106 Å²	106	61.8 Å²	61.8	46%	0.461	32%	0.316	S	S	.	.	S	Bend	trans	-81.3	49.2	179.5	-64	-164	-179.5	-163.8	0	112.4	D210 Y213 G215	D210-K217 PolarHBondContact O-NZ 2.88Å; Y213-K217 HydrophobicContact CD1-CG 4.19Å; G215-K217 PolarHBondContact O-N 3.41Å
218	E	97	Very high	96.2	Very high	101 Å²	101	65.6 Å²	65.6	47%	0.472	33%	0.332	S	S	.	.	S	Bend	trans	-132.7	159.7	177.2	-58.8	-179.2	-162	0	0	110.2	H131 G201 T202 V216	H131-E218 IonicContact CE1-OE1 3.22Å; G201-E218 CarbonylContact C-O 3.39Å; G201-E218 WeakPolarHBondContact CA-O 3.34Å; T202-E218 PolarHBondContact N-O 2.63Å; V216-E218 HydrophobicContact CG1-CB 3.86Å; V216-E218 HydrophobicContact CG1-CG 3.92Å; V216-E218 PolarHBondContact O-N 3.15Å
219	K	98.3	Very high	96.3	Very high	91 Å²	91	64.3 Å²	64.3	40%	0.396	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-65.9	157.1	171.4	-66.4	-74.1	174.1	-175.1	0	110.3	E203 L208 V221	E203-K219 PolarHBondContact O-NZ 3.13Å; E203-K219 WeakPolarHBondContact OE2-CD 3.39Å; E203-K219 IonicContact OE2-NZ 2.86Å; L208-K219 HydrophobicContact CD1-CD 3.93Å; L208-K219 VanDerWaalsContact CD1-CE 3.44Å; K219-V221 PolarHBondContact O-N 3.16Å
220	R	98.5	Very high	96.4	Very high	12 Å²	12	58.7 Å²	58.7	5%	0.045	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-62.8	126.9	-174.8	-75.3	-176.4	175.8	-86.7	-9.1	110.8	D157 G158 E159 D166 V200 G201 E203 R222	D157-R220 PolarHBondContact O-NH1 3.31Å; D157-R220 PolarHBondContact O-NH2 2.86Å; D157-R220 IonicContact OD2-NH1 3.42Å; G158-R220 PolarHBondContact O-NH2 3Å; E159-R220 VanDerWaalsContact CA-NH2 3.31Å; D166-R220 IonicContact OD1-CZ 3.38Å; D166-R220 IonicContact OD1-NE 2.8Å; D166-R220 PolarHBondContact OD1-NE 3.5Å; D166-R220 IonicContact OD1-NH2 2.76Å; D166-R220 PolarHBondContact OD1-NH2 3.4Å; D166-R220 IonicContact OD2-CZ 2.85Å; D166-R220 IonicContact OD2-NE 3.44Å; D166-R220 PolarHBondContact OD2-NE 3.48Å; D166-R220 IonicContact OD2-NH2 3.59Å; V200-R220 HydrophobicContact CG2-CG 4.45Å; V200-R220 CarbonylContact O-C 3.59Å; V200-R220 VanDerWaalsContact O-CA 3.26Å; V200-R220 WeakPolarHBondContact O-CA 3.09Å; G201-R220 VanDerWaalsContact O-CG 3.31Å; G201-R220 WeakPolarHBondContact O-CG 3.34Å; E203-R220 HydrophobicContact CG-CB 4.31Å; E203-R220 HydrophobicContact CG-CG 4.17Å; E203-R220 WeakPolarHBondContact OE1-CB 3.28Å; E203-R220 PolarHBondContact OE1-N 2.71Å; R220-R222 VanDerWaalsContact CD-NH2 3.35Å
221	V	97.8	Very high	96.6	Very high	26 Å²	26	58.8 Å²	58.8	16%	0.158	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-68.1	132.9	166.6	174.1	0	0	0	0	109	V130 V200 K219 K225	V130-V221 HydrophobicContact CB-CG2 4.45Å; V130-V221 HydrophobicContact CG1-CG2 4.27Å; V130-V221 HydrophobicContact CG2-CB 3.95Å; V130-V221 HydrophobicContact CG2-CG1 4.03Å; V130-V221 HydrophobicContact CG2-CG2 3.77Å; V200-V221 HydrophobicContact CB-CB 4.48Å; V200-V221 PolarHBondContact O-N 3.34Å; K219-V221 PolarHBondContact O-N 3.16Å; V221-K225 HydrophobicContact CG1-CB 3.79Å; V221-K225 HydrophobicContact CG1-CD 3.77Å; V221-K225 HydrophobicContact CG1-CG 3.85Å
222	R	96.9	Very high	96.8	Very high	103 Å²	103	55.1 Å²	55.1	39%	0.389	27%	0.271	S	S	.	.			trans	-125.1	171.6	-178.8	-55.4	-61.6	-175.3	167.5	8.3	111.3	E159 R220	E159-R222 IonicContact OE1-CZ 3.5Å; E159-R222 IonicContact OE1-NH1 3.2Å; E159-R222 PolarHBondContact OE1-NH1 2.68Å; E159-R222 IonicContact OE1-NH2 3.49Å; E159-R222 PolarHBondContact OE1-NH2 3.41Å; E159-R222 IonicContact OE2-CZ 3.38Å; E159-R222 IonicContact OE2-NH1 3.19Å; E159-R222 PolarHBondContact OE2-NH1 3.04Å; E159-R222 IonicContact OE2-NH2 2.88Å; R220-R222 VanDerWaalsContact CD-NH2 3.35Å
223	G	95.5	Very high	97.1	Very high	43 Å²	43	49 Å²	49	44%	0.443	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	-150.7	174.8	0	0	0	0	0	113	K225 Y226 D227	G223-K225 PolarHBondContact O-N 3.12Å; G223-K225 VanDerWaalsContact O-N 3.09Å; G223-Y226 WeakPolarHBondContact O-CB 3.34Å; G223-Y226 PolarHBondContact O-N 3.43Å; G223-D227 PolarHBondContact O-N 2.86Å
224	E	95.9	Very high	97.3	Very high	132 Å²	132	48.7 Å²	48.7	62%	0.617	24%	0.243	S	C	*	.	H	α-helix	trans	-56.1	-34.2	-169.7	-168.5	-172.9	172	0	0	113.6	D227 K228	E224-D227 PolarHBondContact O-N 2.69Å; E224-K228 HydrophobicContact CG-CD 4.25Å; E224-K228 HydrophobicContact CG-CG 4.49Å; E224-K228 WeakPolarHBondContact O-CB 3.27Å; E224-K228 WeakPolarHBondContact O-CG 3.35Å; E224-K228 PolarHBondContact O-N 3.22Å; E224-K228 WeakPolarHBondContact OE1-CE 3.18Å; E224-K228 IonicContact OE1-NZ 2.71Å; E224-K228 PolarHBondContact OE1-NZ 3.45Å
225	K	96.1	Very high	97.6	Very high	102 Å²	102	49.4 Å²	49.4	44%	0.443	24%	0.24	S	C	.	.	H	α-helix	trans	-67	-40.9	177.5	-170.8	177.5	176.2	-166	0	111.5	V130 F133 V221 G223 L229	V130-K225 HydrophobicContact CG2-CD 4.36Å; V130-K225 HydrophobicContact CG2-CG 4.49Å; F133-K225 HydrophobicContact CD2-CG 4.13Å; F133-K225 HydrophobicContact CE2-CB 4.46Å; F133-K225 HydrophobicContact CE2-CG 3.68Å; F133-K225 VanDerWaalsContact CE2-O 3.26Å; F133-K225 WeakPolarHBondContact CE2-O 3.21Å; V221-K225 HydrophobicContact CG1-CB 3.79Å; V221-K225 HydrophobicContact CG1-CD 3.77Å; V221-K225 HydrophobicContact CG1-CG 3.85Å; G223-K225 PolarHBondContact O-N 3.12Å; G223-K225 VanDerWaalsContact O-N 3.09Å; K225-L229 PolarHBondContact O-N 2.92Å
226	Y	97.7	Very high	97.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-43.7	174.4	175.3	-113.3	0	0	0	111	D157 V200 G223 K228 L229 V230 F252 N256 F260	D157-Y226 PolarHBondContact OD2-OH 3.28Å; V200-Y226 HydrophobicContact CB-CD2 4.04Å; V200-Y226 HydrophobicContact CB-CE2 4.31Å; V200-Y226 HydrophobicContact CG1-CD2 3.55Å; V200-Y226 HydrophobicContact CG1-CE2 3.84Å; V200-Y226 HydrophobicContact CG2-CD2 3.8Å; V200-Y226 HydrophobicContact CG2-CE2 3.7Å; G223-Y226 WeakPolarHBondContact O-CB 3.34Å; G223-Y226 PolarHBondContact O-N 3.43Å; Y226-K228 PolarHBondContact O-N 2.88Å; Y226-L229 WeakPolarHBondContact O-CB 3.47Å; Y226-L229 PolarHBondContact O-N 3.43Å; Y226-L229 VanDerWaalsContact O-N 3.11Å; Y226-V230 HydrophobicContact CE2-CG2 4.24Å; Y226-V230 PolarHBondContact O-N 3.25Å; Y226-V230 VanDerWaalsContact O-N 3.13Å; Y226-F252 WeakPolarHBondContact OH-CD1 3.34Å; Y226-F252 WeakPolarHBondContact OH-CE1 3.42Å; Y226-N256 HydrophobicContact CE1-CB 4.39Å; Y226-N256 WeakPolarHBondContact CE1-ND2 3.5Å; Y226-F260 HydrophobicContact CD1-CE2 4.36Å; Y226-F260 AromaticContact CD1-CZ 3.78Å; Y226-F260 HydrophobicContact CD1-CZ 3.78Å; Y226-F260 AromaticContact CE1-CE2 3.38Å; Y226-F260 HydrophobicContact CE1-CE2 3.38Å; Y226-F260 AromaticContact CE1-CZ 3.24Å; Y226-F260 HydrophobicContact CE1-CZ 3.24Å; Y226-F260 AromaticContact CZ-CE2 3.71Å; Y226-F260 AromaticContact CZ-CZ 3.89Å; Y226-F260 WeakPolarHBondContact OH-CE2 3.47Å
227	D	97.4	Very high	97.8	Very high	46 Å²	46	47.9 Å²	47.9	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-61.9	-42.8	-178.6	-63.8	-15.6	0	0	0	112.5	G223 E224 L229 V230 D231 R259	G223-D227 PolarHBondContact O-N 2.86Å; E224-D227 PolarHBondContact O-N 2.69Å; D227-L229 VanDerWaalsContact C-N 3.35Å; D227-L229 PolarHBondContact O-N 2.89Å; D227-V230 PolarHBondContact O-N 3.03Å; D227-D231 WeakPolarHBondContact O-CB 3.47Å; D227-D231 PolarHBondContact O-N 3.49Å; D227-R259 IonicContact OD1-CZ 2.84Å; D227-R259 IonicContact OD1-NH1 3.09Å; D227-R259 PolarHBondContact OD1-NH1 3.41Å; D227-R259 IonicContact OD1-NH2 2.63Å; D227-R259 PolarHBondContact OD1-NH2 3.4Å; D227-R259 IonicContact OD2-CZ 3.63Å; D227-R259 IonicContact OD2-NH1 2.86Å; D227-R259 PolarHBondContact OD2-NH1 3.01Å
228	K	97.8	Very high	97.8	Very high	90 Å²	90	44 Å²	44	39%	0.391	21%	0.213	S	C	.	.	H	α-helix	trans	-65.4	-34.7	175	-77.8	178.3	-179.2	169.4	0	112.9	F133 E224 Y226 N232	F133-K228 HydrophobicContact CE1-CB 4.31Å; F133-K228 HydrophobicContact CE1-CD 4.41Å; F133-K228 HydrophobicContact CE2-CB 3.69Å; F133-K228 HydrophobicContact CZ-CB 3.35Å; F133-K228 HydrophobicContact CZ-CD 3.71Å; F133-K228 HydrophobicContact CZ-CG 4.17Å; E224-K228 HydrophobicContact CG-CD 4.25Å; E224-K228 HydrophobicContact CG-CG 4.49Å; E224-K228 WeakPolarHBondContact O-CB 3.27Å; E224-K228 WeakPolarHBondContact O-CG 3.35Å; E224-K228 PolarHBondContact O-N 3.22Å; E224-K228 WeakPolarHBondContact OE1-CE 3.18Å; E224-K228 IonicContact OE1-NZ 2.71Å; E224-K228 PolarHBondContact OE1-NZ 3.45Å; Y226-K228 PolarHBondContact O-N 2.88Å; K228-N232 VanDerWaalsContact O-CB 3.25Å; K228-N232 WeakPolarHBondContact O-CB 3.34Å; K228-N232 PolarHBondContact O-N 2.96Å; K228-N232 PolarHBondContact O-ND2 3.49Å
229	L	98.4	Very high	97.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-47.7	175	179.6	71.2	0	0	0	110.5	I128 F133 I138 V200 K225 Y226 D227 N232 F233	I128-L229 HydrophobicContact CG2-CD1 4.4Å; F133-L229 HydrophobicContact CD2-CB 4.45Å; I138-L229 HydrophobicContact CD1-CD1 4.17Å; V200-L229 HydrophobicContact CG1-CD2 3.34Å; K225-L229 PolarHBondContact O-N 2.92Å; Y226-L229 WeakPolarHBondContact O-CB 3.47Å; Y226-L229 PolarHBondContact O-N 3.43Å; Y226-L229 VanDerWaalsContact O-N 3.11Å; D227-L229 VanDerWaalsContact C-N 3.35Å; D227-L229 PolarHBondContact O-N 2.89Å; L229-N232 PolarHBondContact O-N 3.02Å; L229-F233 WeakPolarHBondContact O-CB 3.32Å; L229-F233 PolarHBondContact O-N 2.87Å
230	V	98.5	Very high	97.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-43.5	179.1	-176.6	0	0	0	0	110.8	L198 Y226 D227 N232 F233 M234 F249 F260 Y264	L198-V230 HydrophobicContact CD1-CG2 3.94Å; Y226-V230 HydrophobicContact CE2-CG2 4.24Å; Y226-V230 PolarHBondContact O-N 3.25Å; Y226-V230 VanDerWaalsContact O-N 3.13Å; D227-V230 PolarHBondContact O-N 3.03Å; V230-N232 PolarHBondContact O-N 3.15Å; V230-F233 WeakPolarHBondContact O-CB 3.02Å; V230-F233 PolarHBondContact O-N 3.08Å; V230-M234 WeakPolarHBondContact O-CG 3.24Å; V230-M234 PolarHBondContact O-N 3.25Å; V230-F249 HydrophobicContact CG1-CE1 4.08Å; V230-F249 HydrophobicContact CG1-CZ 4.25Å; V230-F260 HydrophobicContact CB-CE1 3.99Å; V230-F260 HydrophobicContact CB-CZ 3.94Å; V230-F260 HydrophobicContact CG1-CD1 4.2Å; V230-F260 HydrophobicContact CG1-CE1 4.05Å; V230-F260 HydrophobicContact CG1-CE2 4.36Å; V230-F260 HydrophobicContact CG1-CG 4.42Å; V230-F260 HydrophobicContact CG1-CZ 4.14Å; V230-F260 HydrophobicContact CG2-CE1 4.09Å; V230-F260 HydrophobicContact CG2-CE2 3.9Å; V230-F260 HydrophobicContact CG2-CZ 3.5Å; V230-Y264 HydrophobicContact CG1-CE2 3.6Å
231	D	98.5	Very high	97.9	Very high	37 Å²	37	42.8 Å²	42.8	20%	0.198	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-43.4	176	-179.7	52.1	0	0	0	112.1	D227 F233 M234 K235 Y264	D227-D231 WeakPolarHBondContact O-CB 3.47Å; D227-D231 PolarHBondContact O-N 3.49Å; D231-F233 VanDerWaalsContact C-N 3.32Å; D231-F233 PolarHBondContact O-N 3.04Å; D231-M234 PolarHBondContact O-N 3.44Å; D231-K235 WeakPolarHBondContact O-CG 3.45Å; D231-K235 PolarHBondContact O-N 3.4Å; D231-K235 WeakPolarHBondContact OD1-CE 3.2Å; D231-K235 IonicContact OD1-NZ 3.47Å; D231-K235 VanDerWaalsContact OD2-CE 3.27Å; D231-K235 WeakPolarHBondContact OD2-CE 3.43Å; D231-K235 IonicContact OD2-NZ 3.31Å; D231-K235 PolarHBondContact OD2-NZ 2.96Å; D231-Y264 PolarHBondContact N-OH 3.1Å
232	N	98.7	Very high	97.8	Very high	23 Å²	23	42.7 Å²	42.7	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-34.6	176.3	-72	-21.5	0	0	0	112.3	F133 V135 I138 K228 L229 V230 A236	F133-N232 PolarHBondContact O-ND2 3.45Å; V135-N232 HydrophobicContact CG2-CB 3.87Å; V135-N232 WeakPolarHBondContact CG2-OD1 3.4Å; I138-N232 HydrophobicContact CD1-CB 3.87Å; K228-N232 VanDerWaalsContact O-CB 3.25Å; K228-N232 WeakPolarHBondContact O-CB 3.34Å; K228-N232 PolarHBondContact O-N 2.96Å; K228-N232 PolarHBondContact O-ND2 3.49Å; L229-N232 PolarHBondContact O-N 3.02Å; V230-N232 PolarHBondContact O-N 3.15Å; N232-A236 VanDerWaalsContact O-CB 3.23Å; N232-A236 WeakPolarHBondContact O-CB 3.38Å; N232-A236 PolarHBondContact O-N 2.95Å
233	F	98.8	Very high	97.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.4	-50	172	164.5	-105.8	0	0	0	111.7	I128 I138 I153 V155 V196 L198 L229 V230 D231 K235 A236 A237 I247	I128-F233 HydrophobicContact CD1-CD2 3.48Å; I128-F233 VanDerWaalsContact CD1-CD2 3.48Å; I128-F233 HydrophobicContact CD1-CE2 3.78Å; I138-F233 HydrophobicContact CD1-CB 4.22Å; I138-F233 HydrophobicContact CG2-CD2 4.25Å; I153-F233 HydrophobicContact CG2-CZ 4.08Å; V155-F233 HydrophobicContact CB-CE1 4.18Å; V155-F233 HydrophobicContact CB-CZ 4.18Å; V155-F233 HydrophobicContact CG1-CE1 4.06Å; V155-F233 HydrophobicContact CG1-CZ 4.49Å; V155-F233 HydrophobicContact CG2-CE1 4.04Å; V155-F233 HydrophobicContact CG2-CZ 4.1Å; V196-F233 HydrophobicContact CG1-CE2 3.9Å; V196-F233 HydrophobicContact CG1-CZ 4.2Å; V196-F233 HydrophobicContact CG2-CE2 4.38Å; L198-F233 HydrophobicContact CD1-CD1 4.34Å; L198-F233 HydrophobicContact CD2-CB 4.35Å; L198-F233 HydrophobicContact CD2-CD1 4.48Å; L198-F233 HydrophobicContact CD2-CD2 4.14Å; L198-F233 HydrophobicContact CD2-CG 4.06Å; L229-F233 WeakPolarHBondContact O-CB 3.32Å; L229-F233 PolarHBondContact O-N 2.87Å; V230-F233 WeakPolarHBondContact O-CB 3.02Å; V230-F233 PolarHBondContact O-N 3.08Å; D231-F233 VanDerWaalsContact C-N 3.32Å; D231-F233 PolarHBondContact O-N 3.04Å; F233-K235 VanDerWaalsContact C-N 3.31Å; F233-K235 PolarHBondContact O-N 3.41Å; F233-A236 PolarHBondContact O-N 3.48Å; F233-A237 HydrophobicContact CE2-CB 4.49Å; F233-A237 WeakPolarHBondContact O-CB 3.32Å; F233-A237 PolarHBondContact O-N 3.41Å; F233-I247 HydrophobicContact CE1-CG2 4.03Å; F233-I247 HydrophobicContact CZ-CG2 4.48Å
234	M	98.8	Very high	97.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.5	-45.8	178.4	-63.9	-59.6	-72.3	0	0	111.2	V230 D231 A237 V238 I247 F249 Y264 Y268	V230-M234 WeakPolarHBondContact O-CG 3.24Å; V230-M234 PolarHBondContact O-N 3.25Å; D231-M234 PolarHBondContact O-N 3.44Å; M234-A237 PolarHBondContact O-N 2.91Å; M234-V238 PolarHBondContact O-N 3.12Å; M234-V238 VanDerWaalsContact O-N 3.1Å; M234-I247 HydrophobicContact CE-CB 4.3Å; M234-I247 HydrophobicContact CE-CD1 3.74Å; M234-I247 HydrophobicContact CE-CG2 4.32Å; M234-I247 HydrophobicContact SD-CD1 3.82Å; M234-I247 HydrophobicContact SD-CG2 3.97Å; M234-F249 HydrophobicContact CE-CE2 4.27Å; M234-F249 HydrophobicContact CE-CZ 4.49Å; M234-F249 HydrophobicContact SD-CE2 4.05Å; M234-F249 HydrophobicContact SD-CZ 3.79Å; M234-Y264 HydrophobicContact CE-CG 4.26Å; M234-Y264 HydrophobicContact CG-CD1 4.26Å; M234-Y264 HydrophobicContact CG-CD2 4.31Å; M234-Y264 HydrophobicContact CG-CE1 4.15Å; M234-Y264 HydrophobicContact CG-CE2 4.22Å; M234-Y264 HydrophobicContact CG-CG 4.35Å; M234-Y268 HydrophobicContact CB-CD1 4.39Å; M234-Y268 HydrophobicContact CB-CD2 4.43Å; M234-Y268 HydrophobicContact CB-CE1 3.88Å; M234-Y268 HydrophobicContact CB-CE2 3.92Å; M234-Y268 HydrophobicContact CE-CD1 3.98Å; M234-Y268 HydrophobicContact CE-CD2 3.72Å; M234-Y268 HydrophobicContact CE-CE2 4.36Å; M234-Y268 HydrophobicContact CE-CG 3.5Å; M234-Y268 HydrophobicContact CG-CE2 4.5Å
235	K	98.7	Very high	98	Very high	91 Å²	91	35.6 Å²	35.6	40%	0.396	17%	0.17	S	C	.	.	H	α-helix	trans	-61.5	-45.7	176.1	-72.2	168.6	178.5	168.7	0	112.5	V135 D231 F233 K239	V135-K235 HydrophobicContact CG1-CB 4.36Å; V135-K235 HydrophobicContact CG2-CB 4.1Å; V135-K235 HydrophobicContact CG2-CD 4.26Å; D231-K235 WeakPolarHBondContact O-CG 3.45Å; D231-K235 PolarHBondContact O-N 3.4Å; D231-K235 WeakPolarHBondContact OD1-CE 3.2Å; D231-K235 IonicContact OD1-NZ 3.47Å; D231-K235 VanDerWaalsContact OD2-CE 3.27Å; D231-K235 WeakPolarHBondContact OD2-CE 3.43Å; D231-K235 IonicContact OD2-NZ 3.31Å; D231-K235 PolarHBondContact OD2-NZ 2.96Å; F233-K235 VanDerWaalsContact C-N 3.31Å; F233-K235 PolarHBondContact O-N 3.41Å; K235-K239 WeakPolarHBondContact O-CB 3.35Å; K235-K239 PolarHBondContact O-N 3.34Å
236	A	98.8	Very high	98.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-66.7	-41.8	-179.4	0	0	0	0	0	112.2	V135 I138 L142 N232 F233 K239 R240	V135-A236 HydrophobicContact CG1-CB 4.12Å; I138-A236 HydrophobicContact CB-CB 3.76Å; I138-A236 HydrophobicContact CG2-CB 3.58Å; L142-A236 HydrophobicContact CD1-CB 4.17Å; N232-A236 VanDerWaalsContact O-CB 3.23Å; N232-A236 WeakPolarHBondContact O-CB 3.38Å; N232-A236 PolarHBondContact O-N 2.95Å; F233-A236 PolarHBondContact O-N 3.48Å; A236-K239 PolarHBondContact O-N 3.29Å; A236-R240 WeakPolarHBondContact O-CB 2.87Å; A236-R240 PolarHBondContact O-N 3.16Å
237	A	98.6	Very high	98.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.8	-49.5	177	0	0	0	0	0	111.3	L142 I153 F233 M234 K239 R240 F241 I247	L142-A237 HydrophobicContact CD1-CB 4.24Å; I153-A237 HydrophobicContact CD1-CB 4.01Å; F233-A237 HydrophobicContact CE2-CB 4.49Å; F233-A237 WeakPolarHBondContact O-CB 3.32Å; F233-A237 PolarHBondContact O-N 3.41Å; M234-A237 PolarHBondContact O-N 2.91Å; A237-K239 PolarHBondContact O-N 3.34Å; A237-R240 PolarHBondContact O-N 2.88Å; A237-F241 WeakPolarHBondContact O-CD2 3.47Å; A237-F241 PolarHBondContact O-N 2.82Å; A237-I247 HydrophobicContact CB-CD1 3.81Å
238	V	98	Very high	98.3	Very high	26 Å²	26	28.5 Å²	28.5	16%	0.158	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-41.2	175.2	164.4	0	0	0	0	112.2	M234 R240 G242 Q243 Y268	M234-V238 PolarHBondContact O-N 3.12Å; M234-V238 VanDerWaalsContact O-N 3.1Å; V238-R240 PolarHBondContact O-N 2.79Å; V238-G242 CarbonylContact O-C 3.18Å; V238-G242 WeakPolarHBondContact O-CA 3.46Å; V238-G242 PolarHBondContact O-N 3.18Å; V238-Q243 HydrophobicContact CG1-CB 4.41Å; V238-Q243 VanDerWaalsContact CG1-OE1 3.26Å; V238-Y268 HydrophobicContact CB-CE1 4.31Å; V238-Y268 HydrophobicContact CG2-CD1 3.48Å; V238-Y268 VanDerWaalsContact CG2-CD1 3.48Å; V238-Y268 HydrophobicContact CG2-CE1 3.62Å
239	K	98.2	Very high	98.3	Very high	118 Å²	118	24.3 Å²	24.3	51%	0.513	12%	0.118	S	C	.	.	H	α-helix	trans	-58.7	-35	176.2	-176.6	-179.3	175.5	-178.1	0	111.5	V135 D136 Y139 K235 A236 A237	V135-K239 HydrophobicContact CG1-CD 4.38Å; D136-K239 IonicContact OD1-NZ 2.74Å; D136-K239 PolarHBondContact OD1-NZ 3.19Å; Y139-K239 HydrophobicContact CD2-CB 4.15Å; Y139-K239 HydrophobicContact CD2-CD 3.87Å; Y139-K239 HydrophobicContact CD2-CG 3.86Å; Y139-K239 HydrophobicContact CE2-CB 4.35Å; Y139-K239 HydrophobicContact CE2-CD 4.22Å; Y139-K239 HydrophobicContact CE2-CG 3.84Å; K235-K239 WeakPolarHBondContact O-CB 3.35Å; K235-K239 PolarHBondContact O-N 3.34Å; A236-K239 PolarHBondContact O-N 3.29Å; A237-K239 PolarHBondContact O-N 3.34Å
240	R	97.9	Very high	98.2	Very high	44 Å²	44	24.5 Å²	24.5	17%	0.166	12%	0.119	C	C	.	.	H	α-helix	trans	-87.9	-37.9	-176.4	179.9	54.9	-175.6	70.7	15	114.4	Y139 L142 E147 K148 A236 A237 V238	Y139-R240 HydrophobicContact CD2-CB 3.83Å; Y139-R240 HydrophobicContact CE2-CB 3.62Å; Y139-R240 HydrophobicContact CE2-CG 4.24Å; L142-R240 HydrophobicContact CB-CG 4.29Å; E147-R240 PolarHBondContact O-NH2 3.12Å; K148-R240 PolarHBondContact O-NH1 3.08Å; A236-R240 WeakPolarHBondContact O-CB 2.87Å; A236-R240 PolarHBondContact O-N 3.16Å; A237-R240 PolarHBondContact O-N 2.88Å; V238-R240 PolarHBondContact O-N 2.79Å
241	F	98.2	Very high	98	Very high	16 Å²	16	24.6 Å²	24.6	7%	0.07	12%	0.12	C	C	.	.	H	α-helix	trans	-118.5	-8.9	-169.3	-56.1	-57.4	0	0	0	113.6	L142 V150 I153 L194 A237 C245	L142-F241 HydrophobicContact CB-CE2 4.25Å; L142-F241 HydrophobicContact CB-CZ 4.3Å; L142-F241 HydrophobicContact CD1-CE2 4.25Å; L142-F241 HydrophobicContact CD2-CE2 4.31Å; V150-F241 HydrophobicContact CB-CD1 3.56Å; V150-F241 HydrophobicContact CB-CD2 4.22Å; V150-F241 HydrophobicContact CB-CE1 3.56Å; V150-F241 HydrophobicContact CB-CE2 4.24Å; V150-F241 HydrophobicContact CB-CG 3.89Å; V150-F241 HydrophobicContact CB-CZ 3.93Å; V150-F241 HydrophobicContact CG1-CD1 4.48Å; V150-F241 HydrophobicContact CG1-CD2 4.3Å; V150-F241 HydrophobicContact CG1-CE1 4.49Å; V150-F241 HydrophobicContact CG1-CE2 4.33Å; V150-F241 HydrophobicContact CG1-CG 4.39Å; V150-F241 HydrophobicContact CG1-CZ 4.42Å; V150-F241 HydrophobicContact CG2-CD1 4.06Å; V150-F241 HydrophobicContact CG2-CE1 3.53Å; V150-F241 HydrophobicContact CG2-CE2 4.5Å; V150-F241 HydrophobicContact CG2-CZ 3.8Å; I153-F241 HydrophobicContact CD1-CD2 4.07Å; I153-F241 HydrophobicContact CD1-CE2 4.22Å; L194-F241 HydrophobicContact CD2-CE2 3.78Å; L194-F241 HydrophobicContact CD2-CZ 3.92Å; A237-F241 WeakPolarHBondContact O-CD2 3.47Å; A237-F241 PolarHBondContact O-N 2.82Å; F241-C245 HydrophobicContact CB-CB 3.88Å
242	G	97.3	Very high	97.8	Very high	24 Å²	24	22.9 Å²	22.9	25%	0.247	11%	0.11	C	C	.	.			trans	96	162.4	179	0	0	0	0	0	113.7	V238 H244 C245	V238-G242 CarbonylContact O-C 3.18Å; V238-G242 WeakPolarHBondContact O-CA 3.46Å; V238-G242 PolarHBondContact O-N 3.18Å; G242-H244 PolarHBondContact O-N 2.86Å; G242-C245 WeakPolarHBondContact O-CB 3.5Å; G242-C245 PolarHBondContact O-N 3.43Å; G242-C245 VanDerWaalsContact O-N 3.13Å
243	Q	97.2	Very high	97.4	Very high	84 Å²	84	22.6 Å²	22.6	39%	0.393	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.9	-175.1	-171.7	62.7	36.9	0	0	114.1	V238 H267	V238-Q243 HydrophobicContact CG1-CB 4.41Å; V238-Q243 VanDerWaalsContact CG1-OE1 3.26Å; Q243-H267 PolarHBondContact NE2-O 2.99Å
244	H	96.7	Very high	96.6	Very high	44 Å²	44	25.8 Å²	25.8	20%	0.204	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-5.1	-179.4	62.6	-84.5	0	0	0	113	G242 L246 M473	G242-H244 PolarHBondContact O-N 2.86Å; H244-L246 PolarHBondContact O-N 3.24Å; H244-L246 VanDerWaalsContact O-N 3.16Å; H244-M473 HydrophobicContact CB-CB 3.88Å; H244-M473 HydrophobicContact CB-CE 4.31Å; H244-M473 WeakPolarHBondContact ND1-CE 3.33Å
245	C	98.4	Very high	96.1	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	16%	0.164	C	C	.	.			trans	-62.1	118.5	176.1	-178.2	0	0	0	0	109	F241 G242 I247	F241-C245 HydrophobicContact CB-CB 3.88Å; G242-C245 WeakPolarHBondContact O-CB 3.5Å; G242-C245 PolarHBondContact O-N 3.43Å; G242-C245 VanDerWaalsContact O-N 3.13Å; C245-I247 PolarHBondContact O-N 2.95Å
246	L	98.9	Very high	95.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128	177.2	175.7	64.8	0	0	0	109.6	R151 A152 I153 Y182 H244 C269 F271 A466 I470 V477	R151-L246 WeakPolarHBondContact O-CB 3.45Å; R151-L246 PolarHBondContact O-N 2.94Å; A152-L246 CarbonylContact C-O 3.55Å; A152-L246 WeakPolarHBondContact CA-O 3.25Å; I153-L246 PolarHBondContact N-O 3.44Å; Y182-L246 HydrophobicContact CE1-CD2 4.15Å; H244-L246 PolarHBondContact O-N 3.24Å; H244-L246 VanDerWaalsContact O-N 3.16Å; L246-C269 CarbonylContact C-O 3.58Å; L246-C269 WeakPolarHBondContact CA-O 3.3Å; L246-F271 HydrophobicContact CD1-CD1 3.75Å; L246-F271 HydrophobicContact CD1-CE1 3.8Å; L246-F271 HydrophobicContact CD2-CE1 4.11Å; L246-F271 HydrophobicContact CG-CE1 4.32Å; L246-A466 HydrophobicContact CD2-CB 3.56Å; L246-I470 HydrophobicContact CB-CG1 4.39Å; L246-I470 HydrophobicContact CD2-CD1 4.37Å; L246-I470 HydrophobicContact CD2-CG1 4.29Å; L246-V477 HydrophobicContact CD1-CG2 4.07Å
247	I	98.9	Very high	95.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	104.4	174.8	-56.1	174.4	0	0	0	108.2	I153 V155 F233 M234 A237 C245 F249 C269 T270 F271	I153-I247 HydrophobicContact CB-CG1 4.37Å; I153-I247 HydrophobicContact CD1-CG1 4.33Å; I153-I247 HydrophobicContact CG2-CG2 4.49Å; I153-I247 CarbonylContact O-C 3.44Å; I153-I247 WeakPolarHBondContact O-CA 3.49Å; V155-I247 HydrophobicContact CG1-CG2 3.97Å; F233-I247 HydrophobicContact CE1-CG2 4.03Å; F233-I247 HydrophobicContact CZ-CG2 4.48Å; M234-I247 HydrophobicContact CE-CB 4.3Å; M234-I247 HydrophobicContact CE-CD1 3.74Å; M234-I247 HydrophobicContact CE-CG2 4.32Å; M234-I247 HydrophobicContact SD-CD1 3.82Å; M234-I247 HydrophobicContact SD-CG2 3.97Å; A237-I247 HydrophobicContact CB-CD1 3.81Å; C245-I247 PolarHBondContact O-N 2.95Å; I247-F249 HydrophobicContact CG2-CE2 4.24Å; I247-C269 PolarHBondContact N-O 2.54Å; I247-T270 WeakPolarHBondContact O-CA 3.23Å; I247-T270 VanDerWaalsContact O-CB 3.24Å; I247-T270 WeakPolarHBondContact O-CB 3.25Å; I247-T270 PolarHBondContact O-OG1 2.62Å; I247-F271 PolarHBondContact O-N 3.13Å
248	Q	98.9	Very high	95	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.2	174	176.1	-175.6	-46	0	0	110.2	I153 V154 V155 Y182 E250 F271 D273	I153-Q248 PolarHBondContact O-N 3.39Å; V154-Q248 WeakPolarHBondContact CA-O 3.27Å; V154-Q248 HydrophobicContact CG2-CB 4.17Å; V155-Q248 WeakPolarHBondContact CG1-O 3.45Å; V155-Q248 PolarHBondContact N-O 3.39Å; Y182-Q248 VanDerWaalsContact CZ-OE1 3.29Å; Y182-Q248 PolarHBondContact OH-OE1 3.39Å; Q248-E250 PolarHBondContact NE2-OE2 3.23Å; Q248-F271 WeakPolarHBondContact CA-O 3.32Å; Q248-F271 HydrophobicContact CB-CE1 4.15Å; Q248-F271 HydrophobicContact CB-CE2 4.45Å; Q248-F271 HydrophobicContact CB-CZ 4.08Å; Q248-F271 HydrophobicContact CG-CD2 4.29Å; Q248-F271 HydrophobicContact CG-CE1 4.37Å; Q248-F271 HydrophobicContact CG-CE2 3.78Å; Q248-F271 HydrophobicContact CG-CZ 3.83Å; Q248-D273 HydrophobicContact CG-CB 4.45Å
249	F	98.4	Very high	94.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.2	168.6	-71.3	-104.5	0	0	0	110.3	V155 V230 M234 I247 F252 F260 Y264 T270 F271 N272 D273	V155-F249 HydrophobicContact CG1-CD1 4.15Å; V155-F249 HydrophobicContact CG1-CE1 4.32Å; V155-F249 HydrophobicContact CG1-CG 4.24Å; V230-F249 HydrophobicContact CG1-CE1 4.08Å; V230-F249 HydrophobicContact CG1-CZ 4.25Å; M234-F249 HydrophobicContact CE-CE2 4.27Å; M234-F249 HydrophobicContact CE-CZ 4.49Å; M234-F249 HydrophobicContact SD-CE2 4.05Å; M234-F249 HydrophobicContact SD-CZ 3.79Å; I247-F249 HydrophobicContact CG2-CE2 4.24Å; F249-F252 HydrophobicContact CB-CD2 4.05Å; F249-F252 HydrophobicContact CB-CE2 4Å; F249-F252 AromaticContact CD1-CD2 3.91Å; F249-F252 HydrophobicContact CD1-CD2 3.91Å; F249-F252 HydrophobicContact CD1-CE1 4.21Å; F249-F252 AromaticContact CD1-CE2 3.39Å; F249-F252 HydrophobicContact CD1-CE2 3.39Å; F249-F252 AromaticContact CD1-CZ 3.57Å; F249-F252 HydrophobicContact CD1-CZ 3.57Å; F249-F252 HydrophobicContact CE1-CE2 4.27Å; F249-F252 HydrophobicContact CE1-CZ 4.01Å; F249-F252 HydrophobicContact CG-CD2 4.49Å; F249-F252 HydrophobicContact CG-CE2 4.12Å; F249-F260 HydrophobicContact CD1-CB 4.49Å; F249-F260 HydrophobicContact CE1-CB 4.12Å; F249-F260 HydrophobicContact CE1-CD2 4.27Å; F249-F260 HydrophobicContact CE1-CG 4.4Å; F249-F260 HydrophobicContact CZ-CB 4.44Å; F249-Y264 HydrophobicContact CE2-CD2 4.31Å; F249-Y264 AromaticContact CZ-CD2 3.85Å; F249-Y264 HydrophobicContact CZ-CD2 3.85Å; F249-Y264 HydrophobicContact CZ-CE2 4.17Å; F249-T270 WeakPolarHBondContact CD2-OG1 3.12Å; F249-T270 VanDerWaalsContact CE2-OG1 3.31Å; F249-T270 WeakPolarHBondContact CE2-OG1 3.3Å; F249-F271 PolarHBondContact N-O 3.2Å; F249-N272 HydrophobicContact CB-CB 4.18Å; F249-N272 WeakPolarHBondContact O-CA 3.18Å; F249-N272 PolarHBondContact O-ND2 3Å; F249-D273 PolarHBondContact O-N 2.83Å
250	E	97	Very high	94.8	Very high	3 Å²	3	28 Å²	28	1%	0.014	14%	0.138	C	C	.	.			trans	-138.2	138.9	-178.9	-166.7	72.2	-169.8	0	0	111.5	Y105 V154 V155 T156 I174 K178 Q248 F252 D273	Y105-E250 PolarHBondContact OH-OE1 3.42Å; V154-E250 HydrophobicContact CG1-CB 3.94Å; V155-E250 PolarHBondContact O-N 3.3Å; T156-E250 WeakPolarHBondContact CA-O 3.28Å; T156-E250 WeakPolarHBondContact CB-O 3.34Å; T156-E250 PolarHBondContact OG1-O 2.94Å; I174-E250 HydrophobicContact CG2-CB 4.49Å; I174-E250 HydrophobicContact CG2-CG 3.58Å; K178-E250 WeakPolarHBondContact CE-OE1 3.4Å; K178-E250 WeakPolarHBondContact CE-OE2 3.32Å; K178-E250 HydrophobicContact CG-CG 4.29Å; K178-E250 IonicContact NZ-OE1 3.58Å; K178-E250 PolarHBondContact NZ-OE1 3.16Å; K178-E250 IonicContact NZ-OE2 2.64Å; Q248-E250 PolarHBondContact NE2-OE2 3.23Å; E250-F252 VanDerWaalsContact O-CD2 3.28Å; E250-F252 WeakPolarHBondContact O-CD2 3.49Å; E250-F252 PolarHBondContact O-N 3.47Å; E250-F252 VanDerWaalsContact O-N 3.15Å; E250-D273 WeakPolarHBondContact OE2-CB 3.32Å
251	D	93.6	Very high	94.7	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	13%	0.134	C	C	.	.	S	Bend	trans	56.8	32.2	169	-79.3	-11.2	0	0	0	114.8	R160 I161 L162 I174 D274	R160-D251 CarbonylContact C-O 3.59Å; R160-D251 PolarHBondContact N-O 2.88Å; R160-D251 WeakPolarHBondContact O-CB 3.4Å; I161-D251 WeakPolarHBondContact CA-OD2 3.45Å; I161-D251 HydrophobicContact CD1-CB 3.72Å; L162-D251 PolarHBondContact N-OD2 2.76Å; I174-D251 WeakPolarHBondContact CG2-OD2 3.29Å; D251-D274 PolarHBondContact N-OD2 3.36Å
252	F	94.6	Very high	94.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.			trans	-79.5	153.3	168.7	-77.1	-101.2	0	0	0	110.9	V155 D157 Y226 F249 E250 A257 F260	V155-F252 HydrophobicContact CG1-CE2 4.38Å; V155-F252 HydrophobicContact CG2-CZ 4.45Å; V155-F252 WeakPolarHBondContact O-CE2 3.49Å; D157-F252 HydrophobicContact CB-CD1 4.1Å; D157-F252 HydrophobicContact CB-CE1 3.72Å; D157-F252 HydrophobicContact CB-CZ 4.27Å; D157-F252 VanDerWaalsContact CG-CD1 3.46Å; Y226-F252 WeakPolarHBondContact OH-CD1 3.34Å; Y226-F252 WeakPolarHBondContact OH-CE1 3.42Å; F249-F252 HydrophobicContact CB-CD2 4.05Å; F249-F252 HydrophobicContact CB-CE2 4Å; F249-F252 AromaticContact CD1-CD2 3.91Å; F249-F252 HydrophobicContact CD1-CD2 3.91Å; F249-F252 HydrophobicContact CD1-CE1 4.21Å; F249-F252 AromaticContact CD1-CE2 3.39Å; F249-F252 HydrophobicContact CD1-CE2 3.39Å; F249-F252 AromaticContact CD1-CZ 3.57Å; F249-F252 HydrophobicContact CD1-CZ 3.57Å; F249-F252 HydrophobicContact CE1-CE2 4.27Å; F249-F252 HydrophobicContact CE1-CZ 4.01Å; F249-F252 HydrophobicContact CG-CD2 4.49Å; F249-F252 HydrophobicContact CG-CE2 4.12Å; E250-F252 VanDerWaalsContact O-CD2 3.28Å; E250-F252 WeakPolarHBondContact O-CD2 3.49Å; E250-F252 PolarHBondContact O-N 3.47Å; E250-F252 VanDerWaalsContact O-N 3.15Å; F252-A257 HydrophobicContact CB-CB 3.98Å; F252-F260 HydrophobicContact CD1-CD2 4.29Å; F252-F260 HydrophobicContact CD1-CE2 4.29Å; F252-F260 HydrophobicContact CE1-CD2 4.37Å; F252-F260 HydrophobicContact CE1-CE2 4.26Å
253	A	90.4	Very high	94.5	Very high	18 Å²	18	31.4 Å²	31.4	15%	0.149	16%	0.16	C	C	.	.			trans	-63.3	148.7	171.7	0	0	0	0	0	112.5	E159 Q255 N256 A257	E159-A253 HydrophobicContact CB-CB 4.29Å; E159-A253 HydrophobicContact CG-CB 3.86Å; E159-A253 WeakPolarHBondContact OE2-CB 3.31Å; A253-Q255 VanDerWaalsContact C-N 3.27Å; A253-Q255 PolarHBondContact O-N 3.43Å; A253-N256 WeakPolarHBondContact O-CA 3.39Å; A253-N256 PolarHBondContact O-N 2.85Å; A253-A257 PolarHBondContact O-N 2.94Å
254	N	81.6	Confident	94.6	Very high	66 Å²	66	27.6 Å²	27.6	35%	0.353	14%	0.142	S	C	.	.	H	α-helix	trans	-52.7	-43.3	-164.2	-66.7	6.5	0	0	0	115	R160 N256 F258 E309	R160-N254 WeakPolarHBondContact CD-OD1 3.14Å; R160-N254 PolarHBondContact NE-OD1 2.82Å; R160-N254 VanDerWaalsContact NE-OD1 3.1Å; R160-N254 PolarHBondContact NH1-OD1 3.13Å; R160-N254 PolarHBondContact NH2-OD1 3.5Å; N254-N256 VanDerWaalsContact C-N 3.32Å; N254-N256 PolarHBondContact O-N 3.27Å; N254-F258 WeakPolarHBondContact O-CD2 3.33Å; N254-F258 PolarHBondContact O-N 3.25Å; N254-E309 WeakPolarHBondContact CA-OE1 3.26Å; N254-E309 HydrophobicContact CB-CG 3.92Å; N254-E309 VanDerWaalsContact O-OE1 3.08Å
255	Q	87	Confident	94.6	Very high	159 Å²	159	28.7 Å²	28.7	74%	0.743	15%	0.146	S	C	*	.	H	α-helix	trans	-67.2	-37	-177.6	-172.7	176.5	5.6	0	0	111.5	A253 R259	A253-Q255 VanDerWaalsContact C-N 3.27Å; A253-Q255 PolarHBondContact O-N 3.43Å; Q255-R259 WeakPolarHBondContact O-CB 3.32Å; Q255-R259 PolarHBondContact O-N 3.21Å
256	N	93.5	Very high	94.5	Very high	14 Å²	14	33.5 Å²	33.5	8%	0.075	17%	0.172	C	C	.	.	H	α-helix	trans	-77.6	-42.2	-179.3	-71.6	-26.5	0	0	0	111.5	Y226 A253 N254 F258 R259 F260	Y226-N256 HydrophobicContact CE1-CB 4.39Å; Y226-N256 WeakPolarHBondContact CE1-ND2 3.5Å; A253-N256 WeakPolarHBondContact O-CA 3.39Å; A253-N256 PolarHBondContact O-N 2.85Å; N254-N256 VanDerWaalsContact C-N 3.32Å; N254-N256 PolarHBondContact O-N 3.27Å; N256-F258 PolarHBondContact O-N 2.63Å; N256-R259 PolarHBondContact O-N 3.37Å; N256-R259 PolarHBondContact OD1-NH2 2.91Å; N256-F260 HydrophobicContact CB-CD2 4.05Å; N256-F260 HydrophobicContact CB-CE2 3.84Å; N256-F260 WeakPolarHBondContact O-CB 3.36Å; N256-F260 WeakPolarHBondContact O-CD2 3.14Å; N256-F260 WeakPolarHBondContact O-CG 3.31Å; N256-F260 PolarHBondContact O-N 2.77Å
257	A	91.2	Very high	94.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-55.9	-52.1	177.8	0	0	0	0	0	111.8	F252 A253 R259 L261 I275 E309	F252-A257 HydrophobicContact CB-CB 3.98Å; A253-A257 PolarHBondContact O-N 2.94Å; A257-R259 PolarHBondContact O-N 2.93Å; A257-L261 VanDerWaalsContact O-CB 3.26Å; A257-L261 WeakPolarHBondContact O-CB 3.4Å; A257-L261 PolarHBondContact O-N 2.84Å; A257-I275 HydrophobicContact CB-CD1 4.03Å; A257-E309 VanDerWaalsContact CB-OE1 3.25Å; A257-E309 WeakPolarHBondContact CB-OE1 3.45Å
258	F	90	Very high	94.4	Very high	38 Å²	38	40.6 Å²	40.6	17%	0.167	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-44	176.2	-86.5	-63.3	0	0	0	113.4	N254 N256 A262 I275 E309 I312	N254-F258 WeakPolarHBondContact O-CD2 3.33Å; N254-F258 PolarHBondContact O-N 3.25Å; N256-F258 PolarHBondContact O-N 2.63Å; F258-A262 WeakPolarHBondContact O-CB 3.46Å; F258-A262 PolarHBondContact O-N 3.23Å; F258-I275 HydrophobicContact CD1-CD1 3.73Å; F258-I275 HydrophobicContact CD1-CG1 4.49Å; F258-I275 HydrophobicContact CD2-CD1 4.46Å; F258-I275 HydrophobicContact CE1-CD1 3.95Å; F258-I275 HydrophobicContact CE1-CG1 4.23Å; F258-I275 HydrophobicContact CE1-CG2 3.91Å; F258-I275 HydrophobicContact CG-CD1 3.99Å; F258-I275 HydrophobicContact CZ-CD1 4.44Å; F258-I275 HydrophobicContact CZ-CG1 4.41Å; F258-E309 HydrophobicContact CD2-CG 4.13Å; F258-E309 HydrophobicContact CE2-CB 3.85Å; F258-E309 HydrophobicContact CE2-CG 3.61Å; F258-E309 HydrophobicContact CZ-CB 4.11Å; F258-E309 HydrophobicContact CZ-CG 4.36Å; F258-I312 HydrophobicContact CE1-CG2 4.27Å; F258-I312 HydrophobicContact CZ-CB 4.12Å; F258-I312 HydrophobicContact CZ-CG2 3.96Å
259	R	94.4	Very high	94.4	Very high	71 Å²	71	40.7 Å²	40.7	27%	0.268	21%	0.205	S	C	.	.	H	α-helix	trans	-65.6	-46.8	-176.8	-179	175.4	59.2	84.7	-5.1	111.5	D227 Q255 N256 A257 A262 Q263	D227-R259 IonicContact OD1-CZ 2.84Å; D227-R259 IonicContact OD1-NH1 3.09Å; D227-R259 PolarHBondContact OD1-NH1 3.41Å; D227-R259 IonicContact OD1-NH2 2.63Å; D227-R259 PolarHBondContact OD1-NH2 3.4Å; D227-R259 IonicContact OD2-CZ 3.63Å; D227-R259 IonicContact OD2-NH1 2.86Å; D227-R259 PolarHBondContact OD2-NH1 3.01Å; Q255-R259 WeakPolarHBondContact O-CB 3.32Å; Q255-R259 PolarHBondContact O-N 3.21Å; N256-R259 PolarHBondContact O-N 3.37Å; N256-R259 PolarHBondContact OD1-NH2 2.91Å; A257-R259 PolarHBondContact O-N 2.93Å; R259-A262 PolarHBondContact O-N 2.73Å; R259-Q263 VanDerWaalsContact O-CB 3.28Å; R259-Q263 WeakPolarHBondContact O-CB 3.47Å; R259-Q263 PolarHBondContact O-N 3.5Å
260	F	97.2	Very high	94.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.4	-40.7	177.8	-68.2	-38.9	0	0	0	112.1	Y226 V230 F249 F252 N256 A262 Q263 Y264	Y226-F260 HydrophobicContact CD1-CE2 4.36Å; Y226-F260 AromaticContact CD1-CZ 3.78Å; Y226-F260 HydrophobicContact CD1-CZ 3.78Å; Y226-F260 AromaticContact CE1-CE2 3.38Å; Y226-F260 HydrophobicContact CE1-CE2 3.38Å; Y226-F260 AromaticContact CE1-CZ 3.24Å; Y226-F260 HydrophobicContact CE1-CZ 3.24Å; Y226-F260 AromaticContact CZ-CE2 3.71Å; Y226-F260 AromaticContact CZ-CZ 3.89Å; Y226-F260 WeakPolarHBondContact OH-CE2 3.47Å; V230-F260 HydrophobicContact CB-CE1 3.99Å; V230-F260 HydrophobicContact CB-CZ 3.94Å; V230-F260 HydrophobicContact CG1-CD1 4.2Å; V230-F260 HydrophobicContact CG1-CE1 4.05Å; V230-F260 HydrophobicContact CG1-CE2 4.36Å; V230-F260 HydrophobicContact CG1-CG 4.42Å; V230-F260 HydrophobicContact CG1-CZ 4.14Å; V230-F260 HydrophobicContact CG2-CE1 4.09Å; V230-F260 HydrophobicContact CG2-CE2 3.9Å; V230-F260 HydrophobicContact CG2-CZ 3.5Å; F249-F260 HydrophobicContact CD1-CB 4.49Å; F249-F260 HydrophobicContact CE1-CB 4.12Å; F249-F260 HydrophobicContact CE1-CD2 4.27Å; F249-F260 HydrophobicContact CE1-CG 4.4Å; F249-F260 HydrophobicContact CZ-CB 4.44Å; F252-F260 HydrophobicContact CD1-CD2 4.29Å; F252-F260 HydrophobicContact CD1-CE2 4.29Å; F252-F260 HydrophobicContact CE1-CD2 4.37Å; F252-F260 HydrophobicContact CE1-CE2 4.26Å; N256-F260 HydrophobicContact CB-CD2 4.05Å; N256-F260 HydrophobicContact CB-CE2 3.84Å; N256-F260 WeakPolarHBondContact O-CB 3.36Å; N256-F260 WeakPolarHBondContact O-CD2 3.14Å; N256-F260 WeakPolarHBondContact O-CG 3.31Å; N256-F260 PolarHBondContact O-N 2.77Å; F260-A262 VanDerWaalsContact C-N 3.35Å; F260-A262 PolarHBondContact O-N 3.34Å; F260-Q263 PolarHBondContact O-N 3.34Å; F260-Y264 HydrophobicContact CB-CD2 3.9Å; F260-Y264 HydrophobicContact CB-CE2 3.83Å; F260-Y264 HydrophobicContact CD1-CD2 4.41Å; F260-Y264 AromaticContact CD1-CE2 3.53Å; F260-Y264 HydrophobicContact CD1-CE2 3.53Å; F260-Y264 HydrophobicContact CE1-CE2 4.35Å; F260-Y264 AromaticContact CG-CE2 3.94Å; F260-Y264 HydrophobicContact CG-CE2 3.94Å; F260-Y264 WeakPolarHBondContact O-CB 3.5Å; F260-Y264 WeakPolarHBondContact O-CD2 3.28Å; F260-Y264 PolarHBondContact O-N 2.9Å
261	L	95.8	Very high	94.5	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-58	-49.8	173.7	177.6	60.9	0	0	0	110.9	A257 Q263 Y264 K265 N272 I275 Q276	A257-L261 VanDerWaalsContact O-CB 3.26Å; A257-L261 WeakPolarHBondContact O-CB 3.4Å; A257-L261 PolarHBondContact O-N 2.84Å; L261-Q263 VanDerWaalsContact C-N 3.29Å; L261-Q263 PolarHBondContact O-N 3Å; L261-Y264 PolarHBondContact O-N 2.77Å; L261-K265 HydrophobicContact CD1-CB 4.07Å; L261-K265 WeakPolarHBondContact O-CB 3.48Å; L261-K265 VanDerWaalsContact O-CG 3.27Å; L261-K265 WeakPolarHBondContact O-CG 3.23Å; L261-K265 PolarHBondContact O-N 3.5Å; L261-N272 HydrophobicContact CD2-CB 4.39Å; L261-I275 HydrophobicContact CD2-CB 4.28Å; L261-I275 HydrophobicContact CD2-CD1 3.98Å; L261-I275 HydrophobicContact CD2-CG2 4.01Å; L261-Q276 HydrophobicContact CD2-CG 3.99Å
262	A	94.7	Very high	94.6	Very high	63 Å²	63	40.4 Å²	40.4	52%	0.521	20%	0.203	S	C	.	.	H	α-helix	trans	-61.8	-36.2	178.7	0	0	0	0	0	112.9	F258 R259 F260	F258-A262 WeakPolarHBondContact O-CB 3.46Å; F258-A262 PolarHBondContact O-N 3.23Å; R259-A262 PolarHBondContact O-N 2.73Å; F260-A262 VanDerWaalsContact C-N 3.35Å; F260-A262 PolarHBondContact O-N 3.34Å
263	Q	97.3	Very high	94.7	Very high	77 Å²	77	40.4 Å²	40.4	36%	0.36	20%	0.203	S	C	.	.	H	α-helix	trans	-72.1	-39.5	180	-175.3	176.4	-15.1	0	0	112.6	R259 F260 L261 H267	R259-Q263 VanDerWaalsContact O-CB 3.28Å; R259-Q263 WeakPolarHBondContact O-CB 3.47Å; R259-Q263 PolarHBondContact O-N 3.5Å; F260-Q263 PolarHBondContact O-N 3.34Å; L261-Q263 VanDerWaalsContact C-N 3.29Å; L261-Q263 PolarHBondContact O-N 3Å; Q263-H267 PolarHBondContact O-ND1 2.87Å
264	Y	98.4	Very high	94.7	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-105.1	-21.2	-167.2	-58.7	-50.1	0	0	0	115.2	V230 D231 M234 F249 F260 L261 D266 H267 Y268 T270	V230-Y264 HydrophobicContact CG1-CE2 3.6Å; D231-Y264 PolarHBondContact N-OH 3.1Å; M234-Y264 HydrophobicContact CE-CG 4.26Å; M234-Y264 HydrophobicContact CG-CD1 4.26Å; M234-Y264 HydrophobicContact CG-CD2 4.31Å; M234-Y264 HydrophobicContact CG-CE1 4.15Å; M234-Y264 HydrophobicContact CG-CE2 4.22Å; M234-Y264 HydrophobicContact CG-CG 4.35Å; F249-Y264 HydrophobicContact CE2-CD2 4.31Å; F249-Y264 AromaticContact CZ-CD2 3.85Å; F249-Y264 HydrophobicContact CZ-CD2 3.85Å; F249-Y264 HydrophobicContact CZ-CE2 4.17Å; F260-Y264 HydrophobicContact CB-CD2 3.9Å; F260-Y264 HydrophobicContact CB-CE2 3.83Å; F260-Y264 HydrophobicContact CD1-CD2 4.41Å; F260-Y264 AromaticContact CD1-CE2 3.53Å; F260-Y264 HydrophobicContact CD1-CE2 3.53Å; F260-Y264 HydrophobicContact CE1-CE2 4.35Å; F260-Y264 AromaticContact CG-CE2 3.94Å; F260-Y264 HydrophobicContact CG-CE2 3.94Å; F260-Y264 WeakPolarHBondContact O-CB 3.5Å; F260-Y264 WeakPolarHBondContact O-CD2 3.28Å; F260-Y264 PolarHBondContact O-N 2.9Å; L261-Y264 PolarHBondContact O-N 2.77Å; Y264-D266 PolarHBondContact O-N 2.93Å; Y264-D266 VanDerWaalsContact O-N 3.11Å; Y264-H267 PolarHBondContact O-N 3.39Å; Y264-Y268 AromaticContact CD1-CD2 3.92Å; Y264-Y268 HydrophobicContact CD1-CD2 3.92Å; Y264-Y268 AromaticContact CD1-CE2 3.79Å; Y264-Y268 HydrophobicContact CD1-CE2 3.79Å; Y264-Y268 HydrophobicContact CE1-CE2 4.45Å; Y264-Y268 HydrophobicContact CG-CD2 4.27Å; Y264-Y268 PolarHBondContact O-N 3.01Å; Y264-T270 WeakPolarHBondContact O-CG2 3.34Å
265	K	96.8	Very high	95.1	Very high	66 Å²	66	37.6 Å²	37.6	29%	0.287	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-33	-172.7	66.8	179.8	-169	169.5	0	115	L261 H476	L261-K265 HydrophobicContact CD1-CB 4.07Å; L261-K265 WeakPolarHBondContact O-CB 3.48Å; L261-K265 VanDerWaalsContact O-CG 3.27Å; L261-K265 WeakPolarHBondContact O-CG 3.23Å; L261-K265 PolarHBondContact O-N 3.5Å; K265-H476 PolarHBondContact O-ND1 2.96Å
266	D	96.2	Very high	95.6	Very high	103 Å²	103	30.3 Å²	30.3	55%	0.551	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	0.6	-177.5	-57.9	-50.4	0	0	0	112.7	Y264 H476	Y264-D266 PolarHBondContact O-N 2.93Å; Y264-D266 VanDerWaalsContact O-N 3.11Å; D266-H476 PolarHBondContact O-CE1 3.1Å; D266-H476 PolarHBondContact O-NE2 3.14Å
267	H	96.9	Very high	95.7	Very high	122 Å²	122	29.7 Å²	29.7	57%	0.565	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.6	-22.8	-177.5	-62	99.7	0	0	0	113.1	Q243 Q263 Y264	Q243-H267 PolarHBondContact NE2-O 2.99Å; Q263-H267 PolarHBondContact O-ND1 2.87Å; Y264-H267 PolarHBondContact O-N 3.39Å
268	Y	98.5	Very high	95.8	Very high	28 Å²	28	30.8 Å²	30.8	11%	0.11	16%	0.155	C	C	.	.	S	Bend	trans	-133.6	161.7	-175.4	-63.6	-84	0	0	0	111	M234 V238 Y264 T270 R475 H476	M234-Y268 HydrophobicContact CB-CD1 4.39Å; M234-Y268 HydrophobicContact CB-CD2 4.43Å; M234-Y268 HydrophobicContact CB-CE1 3.88Å; M234-Y268 HydrophobicContact CB-CE2 3.92Å; M234-Y268 HydrophobicContact CE-CD1 3.98Å; M234-Y268 HydrophobicContact CE-CD2 3.72Å; M234-Y268 HydrophobicContact CE-CE2 4.36Å; M234-Y268 HydrophobicContact CE-CG 3.5Å; M234-Y268 HydrophobicContact CG-CE2 4.5Å; V238-Y268 HydrophobicContact CB-CE1 4.31Å; V238-Y268 HydrophobicContact CG2-CD1 3.48Å; V238-Y268 VanDerWaalsContact CG2-CD1 3.48Å; V238-Y268 HydrophobicContact CG2-CE1 3.62Å; Y264-Y268 AromaticContact CD1-CD2 3.92Å; Y264-Y268 HydrophobicContact CD1-CD2 3.92Å; Y264-Y268 AromaticContact CD1-CE2 3.79Å; Y264-Y268 HydrophobicContact CD1-CE2 3.79Å; Y264-Y268 HydrophobicContact CE1-CE2 4.45Å; Y264-Y268 HydrophobicContact CG-CD2 4.27Å; Y264-Y268 PolarHBondContact O-N 3.01Å; Y268-T270 VanDerWaalsContact C-N 3.32Å; Y268-T270 PolarHBondContact O-N 3.33Å; Y268-R475 CarbonylContact C-O 3.57Å; Y268-H476 PolarHBondContact O-ND1 3.46Å
269	C	98.6	Very high	96.2	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.148	C	C	.	.	S	Bend	trans	-77.1	86.6	166	-174.2	0	0	0	0	108	L246 I247 T474 R475	L246-C269 CarbonylContact C-O 3.58Å; L246-C269 WeakPolarHBondContact CA-O 3.3Å; I247-C269 PolarHBondContact N-O 2.54Å; C269-T474 PolarHBondContact SG-O 2.64Å; C269-T474 VanDerWaalsContact SG-O 3.42Å; C269-R475 WeakPolarHBondContact CA-O 3.29Å; C269-R475 PolarHBondContact N-O 3.4Å; C269-R475 VanDerWaalsContact N-O 3.16Å
270	T	98.8	Very high	96.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	153.9	-171.7	-171.8	0	0	0	0	112.6	I247 F249 Y264 Y268	I247-T270 WeakPolarHBondContact O-CA 3.23Å; I247-T270 VanDerWaalsContact O-CB 3.24Å; I247-T270 WeakPolarHBondContact O-CB 3.25Å; I247-T270 PolarHBondContact O-OG1 2.62Å; F249-T270 WeakPolarHBondContact CD2-OG1 3.12Å; F249-T270 VanDerWaalsContact CE2-OG1 3.31Å; F249-T270 WeakPolarHBondContact CE2-OG1 3.3Å; Y264-T270 WeakPolarHBondContact O-CG2 3.34Å; Y268-T270 VanDerWaalsContact C-N 3.32Å; Y268-T270 PolarHBondContact O-N 3.33Å
271	F	98.4	Very high	96.4	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	171	170.7	74.5	-92.8	0	0	0	110.1	L246 I247 Q248 F249 D273 Q276 F462 V477 F482	L246-F271 HydrophobicContact CD1-CD1 3.75Å; L246-F271 HydrophobicContact CD1-CE1 3.8Å; L246-F271 HydrophobicContact CD2-CE1 4.11Å; L246-F271 HydrophobicContact CG-CE1 4.32Å; I247-F271 PolarHBondContact O-N 3.13Å; Q248-F271 WeakPolarHBondContact CA-O 3.32Å; Q248-F271 HydrophobicContact CB-CE1 4.15Å; Q248-F271 HydrophobicContact CB-CE2 4.45Å; Q248-F271 HydrophobicContact CB-CZ 4.08Å; Q248-F271 HydrophobicContact CG-CD2 4.29Å; Q248-F271 HydrophobicContact CG-CE1 4.37Å; Q248-F271 HydrophobicContact CG-CE2 3.78Å; Q248-F271 HydrophobicContact CG-CZ 3.83Å; F249-F271 PolarHBondContact N-O 3.2Å; F271-D273 HydrophobicContact CE2-CB 4.1Å; F271-Q276 VanDerWaalsContact CA-OE1 3.26Å; F271-F462 HydrophobicContact CE2-CB 4.36Å; F271-F462 HydrophobicContact CZ-CB 4.22Å; F271-V477 HydrophobicContact CB-CB 4.46Å; F271-F482 HydrophobicContact CB-CE2 3.99Å; F271-F482 HydrophobicContact CB-CZ 3.64Å; F271-F482 HydrophobicContact CD1-CZ 4.3Å; F271-F482 HydrophobicContact CD2-CE1 4.08Å; F271-F482 AromaticContact CD2-CZ 3.57Å; F271-F482 HydrophobicContact CD2-CZ 3.57Å; F271-F482 HydrophobicContact CE2-CE1 4.38Å; F271-F482 HydrophobicContact CE2-CZ 4.24Å; F271-F482 HydrophobicContact CG-CE2 4.43Å; F271-F482 AromaticContact CG-CZ 3.62Å; F271-F482 HydrophobicContact CG-CZ 3.62Å
272	N	97.2	Very high	96.5	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.2	171	175.8	-70.6	0	0	0	109.6	F249 L261 D274 I275 Q276	F249-N272 HydrophobicContact CB-CB 4.18Å; F249-N272 WeakPolarHBondContact O-CA 3.18Å; F249-N272 PolarHBondContact O-ND2 3Å; L261-N272 HydrophobicContact CD2-CB 4.39Å; N272-D274 WeakPolarHBondContact OD1-CA 3.2Å; N272-D274 WeakPolarHBondContact OD1-CB 3.24Å; N272-D274 PolarHBondContact OD1-N 3.26Å; N272-I275 HydrophobicContact CB-CB 4.42Å; N272-I275 HydrophobicContact CB-CD1 4.25Å; N272-I275 WeakPolarHBondContact OD1-CG1 3.5Å; N272-I275 PolarHBondContact OD1-N 3.41Å; N272-Q276 WeakPolarHBondContact O-CB 3.36Å; N272-Q276 PolarHBondContact O-N 3.19Å
273	D	95.7	Very high	96.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.108	C	C	.	.	I	π-helix	trans	-71.4	-37.4	-175.5	-169.9	57.3	0	0	0	112.5	K178 Q248 F249 E250 F271 I275 G277 T278 N458 F462	K178-D273 IonicContact NZ-OD2 2.73Å; K178-D273 PolarHBondContact NZ-OD2 3.32Å; Q248-D273 HydrophobicContact CG-CB 4.45Å; F249-D273 PolarHBondContact O-N 2.83Å; E250-D273 WeakPolarHBondContact OE2-CB 3.32Å; F271-D273 HydrophobicContact CE2-CB 4.1Å; D273-I275 PolarHBondContact O-N 3.23Å; D273-G277 CarbonylContact O-C 3.33Å; D273-G277 WeakPolarHBondContact O-CA 3.18Å; D273-G277 PolarHBondContact O-N 3.02Å; D273-G277 WeakPolarHBondContact OD1-CA 3.32Å; D273-T278 PolarHBondContact O-N 3.5Å; D273-T278 PolarHBondContact O-OG1 2.89Å; D273-N458 PolarHBondContact O-ND2 3.03Å; D273-N458 WeakPolarHBondContact OD2-CB 3.37Å; D273-N458 PolarHBondContact OD2-ND2 2.93Å; D273-F462 WeakPolarHBondContact OD1-CB 3.36Å
274	D	89.7	Confident	96.7	Very high	18 Å²	18	18.6 Å²	18.6	10%	0.096	9%	0.091	C	C	.	.	I	π-helix	trans	-59.7	-33.3	178.1	-61.8	-60.3	0	0	0	112.5	D251 N272 T278	D251-D274 PolarHBondContact N-OD2 3.36Å; N272-D274 WeakPolarHBondContact OD1-CA 3.2Å; N272-D274 WeakPolarHBondContact OD1-CB 3.24Å; N272-D274 PolarHBondContact OD1-N 3.26Å; D274-T278 WeakPolarHBondContact O-CB 3.42Å; D274-T278 PolarHBondContact O-OG1 3.45Å
275	I	91.7	Very high	96.7	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.036	9%	0.09	C	C	.	.	I	π-helix	trans	-90.9	-62.2	177.8	-61.4	166.7	0	0	0	110.7	A257 F258 L261 N272 D273 A279 E309	A257-I275 HydrophobicContact CB-CD1 4.03Å; F258-I275 HydrophobicContact CD1-CD1 3.73Å; F258-I275 HydrophobicContact CD1-CG1 4.49Å; F258-I275 HydrophobicContact CD2-CD1 4.46Å; F258-I275 HydrophobicContact CE1-CD1 3.95Å; F258-I275 HydrophobicContact CE1-CG1 4.23Å; F258-I275 HydrophobicContact CE1-CG2 3.91Å; F258-I275 HydrophobicContact CG-CD1 3.99Å; F258-I275 HydrophobicContact CZ-CD1 4.44Å; F258-I275 HydrophobicContact CZ-CG1 4.41Å; L261-I275 HydrophobicContact CD2-CB 4.28Å; L261-I275 HydrophobicContact CD2-CD1 3.98Å; L261-I275 HydrophobicContact CD2-CG2 4.01Å; N272-I275 HydrophobicContact CB-CB 4.42Å; N272-I275 HydrophobicContact CB-CD1 4.25Å; N272-I275 WeakPolarHBondContact OD1-CG1 3.5Å; N272-I275 PolarHBondContact OD1-N 3.41Å; D273-I275 PolarHBondContact O-N 3.23Å; I275-A279 WeakPolarHBondContact O-CB 3.2Å; I275-A279 PolarHBondContact O-N 3.32Å; I275-E309 HydrophobicContact CG1-CB 4.16Å
276	Q	96.2	Very high	96.8	Very high	7 Å²	7	15.3 Å²	15.3	3%	0.033	8%	0.077	C	C	.	.	I	π-helix	trans	-87.6	-37	-167.3	-63.8	171.2	-79.6	0	0	112.4	L261 F271 N272 A279 S280 D479 F482	L261-Q276 HydrophobicContact CD2-CG 3.99Å; F271-Q276 VanDerWaalsContact CA-OE1 3.26Å; N272-Q276 WeakPolarHBondContact O-CB 3.36Å; N272-Q276 PolarHBondContact O-N 3.19Å; Q276-A279 PolarHBondContact O-N 2.9Å; Q276-S280 WeakPolarHBondContact O-CB 3.2Å; Q276-S280 PolarHBondContact O-N 3.45Å; Q276-D479 PolarHBondContact NE2-OD1 3.11Å; Q276-F482 HydrophobicContact CB-CD1 3.96Å; Q276-F482 HydrophobicContact CB-CD2 3.85Å; Q276-F482 HydrophobicContact CB-CE1 3.79Å; Q276-F482 HydrophobicContact CB-CE2 3.67Å; Q276-F482 HydrophobicContact CB-CG 3.99Å; Q276-F482 HydrophobicContact CB-CZ 3.65Å; Q276-F482 HydrophobicContact CG-CD2 4.4Å; Q276-F482 HydrophobicContact CG-CE2 4.19Å; Q276-F482 WeakPolarHBondContact O-CD1 3.41Å
277	G	96.4	Very high	96.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-65.4	-48.1	174.4	0	0	0	0	0	112	D273 A279 S280 V281	D273-G277 CarbonylContact O-C 3.33Å; D273-G277 WeakPolarHBondContact O-CA 3.18Å; D273-G277 PolarHBondContact O-N 3.02Å; D273-G277 WeakPolarHBondContact OD1-CA 3.32Å; G277-A279 VanDerWaalsContact C-N 3.32Å; G277-A279 PolarHBondContact O-N 3.37Å; G277-S280 PolarHBondContact O-N 2.96Å; G277-S280 VanDerWaalsContact O-N 3.15Å; G277-V281 PolarHBondContact O-N 3.1Å
278	T	94.1	Very high	96.9	Very high	24 Å²	24	6 Å²	6	15%	0.147	3%	0.031	C	C	.	.	H	α-helix	trans	-59.4	-42.9	174.3	-50.6	0	0	0	0	111.6	D273 D274 S280 V281 A282 A310 I314 N458	D273-T278 PolarHBondContact O-N 3.5Å; D273-T278 PolarHBondContact O-OG1 2.89Å; D274-T278 WeakPolarHBondContact O-CB 3.42Å; D274-T278 PolarHBondContact O-OG1 3.45Å; T278-S280 VanDerWaalsContact C-N 3.34Å; T278-S280 PolarHBondContact O-N 2.64Å; T278-V281 WeakPolarHBondContact O-CG1 3.27Å; T278-A282 WeakPolarHBondContact O-CB 3.32Å; T278-A282 PolarHBondContact O-N 2.71Å; T278-A282 VanDerWaalsContact O-N 3.15Å; T278-A310 HydrophobicContact CG2-CB 3.8Å; T278-I314 HydrophobicContact CG2-CD1 4.45Å; T278-N458 WeakPolarHBondContact CA-OD1 3.4Å; T278-N458 PolarHBondContact N-ND2 3.42Å; T278-N458 PolarHBondContact OG1-ND2 3.43Å
279	A	96.8	Very high	96.9	Very high	4 Å²	4	4.6 Å²	4.6	3%	0.033	3%	0.026	C	C	.	.	H	α-helix	trans	-57.6	-48.9	174	0	0	0	0	0	111.7	I275 Q276 G277 A282 V283 G313 L317	I275-A279 WeakPolarHBondContact O-CB 3.2Å; I275-A279 PolarHBondContact O-N 3.32Å; Q276-A279 PolarHBondContact O-N 2.9Å; G277-A279 VanDerWaalsContact C-N 3.32Å; G277-A279 PolarHBondContact O-N 3.37Å; A279-A282 PolarHBondContact O-N 2.95Å; A279-V283 WeakPolarHBondContact O-CB 3.48Å; A279-V283 VanDerWaalsContact O-CG2 3.3Å; A279-V283 WeakPolarHBondContact O-CG2 3.21Å; A279-V283 PolarHBondContact O-N 3.2Å; A279-G313 WeakPolarHBondContact CB-O 3.38Å; A279-L317 HydrophobicContact CB-CB 4.06Å; A279-L317 HydrophobicContact CB-CD2 3.92Å
280	S	98.4	Very high	96.8	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.3	-45.6	-175.8	-174.6	0	0	0	0	112.8	Q276 G277 T278 V283 A284 L317 I461 F482 S486	Q276-S280 WeakPolarHBondContact O-CB 3.2Å; Q276-S280 PolarHBondContact O-N 3.45Å; G277-S280 PolarHBondContact O-N 2.96Å; G277-S280 VanDerWaalsContact O-N 3.15Å; T278-S280 VanDerWaalsContact C-N 3.34Å; T278-S280 PolarHBondContact O-N 2.64Å; S280-V283 PolarHBondContact O-N 3.45Å; S280-A284 WeakPolarHBondContact O-CB 3.42Å; S280-A284 PolarHBondContact O-N 3.34Å; S280-L317 VanDerWaalsContact CA-CD2 3.45Å; S280-I461 WeakPolarHBondContact OG-CD1 3.34Å; S280-I461 WeakPolarHBondContact OG-CG2 3.37Å; S280-F482 PolarHBondContact OG-O 3.08Å; S280-S486 VanDerWaalsContact C-OG 3.31Å; S280-S486 VanDerWaalsContact CA-OG 3.22Å; S280-S486 WeakPolarHBondContact CA-OG 3.42Å; S280-S486 WeakPolarHBondContact O-CB 3.39Å; S280-S486 PolarHBondContact O-OG 2.59Å; S280-S486 PolarHBondContact OG-OG 2.8Å
281	V	97.8	Very high	96.6	Very high	3 Å²	3	10 Å²	10	2%	0.018	5%	0.05	C	C	.	.	H	α-helix	trans	-67.3	-42.4	179.7	69.8	0	0	0	0	110.9	G277 T278 V283 A284 G285 N457 I461 L489 Y504	G277-V281 PolarHBondContact O-N 3.1Å; T278-V281 WeakPolarHBondContact O-CG1 3.27Å; V281-V283 PolarHBondContact O-N 3.27Å; V281-A284 WeakPolarHBondContact O-CB 3.47Å; V281-A284 PolarHBondContact O-N 2.88Å; V281-G285 PolarHBondContact O-N 3.36Å; V281-N457 WeakPolarHBondContact CG2-O 3.35Å; V281-I461 HydrophobicContact CB-CG1 3.85Å; V281-L489 HydrophobicContact CG2-CD2 4.47Å; V281-Y504 HydrophobicContact CG2-CD1 4.44Å; V281-Y504 HydrophobicContact CG2-CE1 3.74Å; V281-Y504 VanDerWaalsContact O-CE1 3.32Å; V281-Y504 WeakPolarHBondContact O-CE1 3.23Å; V281-Y504 PolarHBondContact O-OH 3.39Å; V281-Y504 VanDerWaalsContact O-OH 3.06Å
282	A	97.7	Very high	96.5	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.008	5%	0.054	C	C	.	.	H	α-helix	trans	-63.2	-43.7	177.7	0	0	0	0	0	111.7	T278 A279 A284 G285 L286 I314 L411	T278-A282 WeakPolarHBondContact O-CB 3.32Å; T278-A282 PolarHBondContact O-N 2.71Å; T278-A282 VanDerWaalsContact O-N 3.15Å; A279-A282 PolarHBondContact O-N 2.95Å; A282-A284 VanDerWaalsContact C-N 3.3Å; A282-A284 PolarHBondContact O-N 2.95Å; A282-G285 PolarHBondContact O-N 3.13Å; A282-L286 WeakPolarHBondContact O-CG 3.34Å; A282-L286 PolarHBondContact O-N 3.21Å; A282-I314 HydrophobicContact CB-CB 4.37Å; A282-I314 HydrophobicContact CB-CD1 3.67Å; A282-I314 HydrophobicContact CB-CG1 3.62Å; A282-I314 HydrophobicContact CB-CG2 3.78Å; A282-L411 HydrophobicContact CB-CD1 4.04Å
283	V	98.4	Very high	96.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.4	-36.6	176.1	171	0	0	0	0	111.4	A279 S280 V281 G285 L286 L287 I314 L317 T318 A321 L483	A279-V283 WeakPolarHBondContact O-CB 3.48Å; A279-V283 VanDerWaalsContact O-CG2 3.3Å; A279-V283 WeakPolarHBondContact O-CG2 3.21Å; A279-V283 PolarHBondContact O-N 3.2Å; S280-V283 PolarHBondContact O-N 3.45Å; V281-V283 PolarHBondContact O-N 3.27Å; V283-G285 VanDerWaalsContact C-N 3.34Å; V283-G285 PolarHBondContact O-N 3.5Å; V283-L286 PolarHBondContact O-N 3.11Å; V283-L287 HydrophobicContact CG1-CD1 4.04Å; V283-L287 HydrophobicContact CG1-CG 4.23Å; V283-L287 WeakPolarHBondContact O-CB 3.44Å; V283-L287 VanDerWaalsContact O-CG 3.29Å; V283-L287 WeakPolarHBondContact O-CG 3.47Å; V283-L287 PolarHBondContact O-N 2.92Å; V283-I314 HydrophobicContact CG2-CG2 4.43Å; V283-L317 HydrophobicContact CB-CD2 4.1Å; V283-L317 HydrophobicContact CB-CG 4.49Å; V283-L317 HydrophobicContact CG2-CB 3.88Å; V283-L317 HydrophobicContact CG2-CD2 3.94Å; V283-L317 HydrophobicContact CG2-CG 4.02Å; V283-T318 WeakPolarHBondContact CG2-OG1 3.31Å; V283-A321 HydrophobicContact CG1-CB 4.24Å; V283-L483 HydrophobicContact CG1-CD1 4.23Å
284	A	98.6	Very high	96.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.6	-46.2	173.3	0	0	0	0	0	111.6	S280 V281 A282 L286 L287 A288 S486 L489 A490 Y504	S280-A284 WeakPolarHBondContact O-CB 3.42Å; S280-A284 PolarHBondContact O-N 3.34Å; V281-A284 WeakPolarHBondContact O-CB 3.47Å; V281-A284 PolarHBondContact O-N 2.88Å; A282-A284 VanDerWaalsContact C-N 3.3Å; A282-A284 PolarHBondContact O-N 2.95Å; A284-L286 VanDerWaalsContact C-N 3.33Å; A284-L286 PolarHBondContact O-N 3.39Å; A284-L287 PolarHBondContact O-N 3.09Å; A284-A288 PolarHBondContact O-N 2.95Å; A284-S486 WeakPolarHBondContact CB-O 3.24Å; A284-L489 HydrophobicContact CB-CB 3.95Å; A284-L489 HydrophobicContact CB-CD2 3.61Å; A284-L489 HydrophobicContact CB-CG 3.96Å; A284-A490 WeakPolarHBondContact O-CB 3.47Å; A284-Y504 HydrophobicContact CB-CE1 4.32Å
285	G	98.1	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-42	174.2	0	0	0	0	0	112.2	V281 A282 V283 A288 A289 F409	V281-G285 PolarHBondContact O-N 3.36Å; A282-G285 PolarHBondContact O-N 3.13Å; V283-G285 VanDerWaalsContact C-N 3.34Å; V283-G285 PolarHBondContact O-N 3.5Å; G285-A288 PolarHBondContact O-N 3.31Å; G285-A289 WeakPolarHBondContact O-CB 3.39Å; G285-A289 PolarHBondContact O-N 2.87Å; G285-F409 VanDerWaalsContact C-CZ 3.48Å
286	L	98.2	Very high	96.9	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-65.9	-37.7	177.6	-68.7	176.8	0	0	0	112.4	A282 V283 A284 A289 A290 L297 F302 I314 T318 I382 I407 F409	A282-L286 WeakPolarHBondContact O-CG 3.34Å; A282-L286 PolarHBondContact O-N 3.21Å; V283-L286 PolarHBondContact O-N 3.11Å; A284-L286 VanDerWaalsContact C-N 3.33Å; A284-L286 PolarHBondContact O-N 3.39Å; L286-A289 PolarHBondContact O-N 2.88Å; L286-A290 VanDerWaalsContact O-CB 3.3Å; L286-A290 WeakPolarHBondContact O-CB 3.34Å; L286-A290 PolarHBondContact O-N 2.79Å; L286-L297 HydrophobicContact CB-CD1 4.22Å; L286-F302 HydrophobicContact CD1-CD1 4.19Å; L286-F302 HydrophobicContact CD1-CE1 3.88Å; L286-F302 HydrophobicContact CD2-CD1 4.42Å; L286-F302 HydrophobicContact CD2-CE1 4.06Å; L286-F302 HydrophobicContact CG-CE1 4.42Å; L286-I314 HydrophobicContact CD1-CG2 4.41Å; L286-T318 HydrophobicContact CD1-CG2 4.48Å; L286-I382 HydrophobicContact CD2-CD1 4.47Å; L286-I382 HydrophobicContact CD2-CG1 4.42Å; L286-I407 HydrophobicContact CD2-CG2 4.08Å; L286-F409 HydrophobicContact CD2-CD2 4.08Å; L286-F409 HydrophobicContact CD2-CE2 3.79Å; L286-F409 HydrophobicContact CD2-CZ 4.2Å; L286-F409 HydrophobicContact CG-CD2 4.45Å; L286-F409 HydrophobicContact CG-CE2 3.95Å
287	L	98	Very high	96.9	Very high	29 Å²	29	30 Å²	30	15%	0.152	14%	0.138	C	C	.	.	H	α-helix	trans	-65.5	-43.6	175	-73.4	169.9	0	0	0	111.3	V283 A284 A290 K291 L297 E487 A490	V283-L287 HydrophobicContact CG1-CD1 4.04Å; V283-L287 HydrophobicContact CG1-CG 4.23Å; V283-L287 WeakPolarHBondContact O-CB 3.44Å; V283-L287 VanDerWaalsContact O-CG 3.29Å; V283-L287 WeakPolarHBondContact O-CG 3.47Å; V283-L287 PolarHBondContact O-N 2.92Å; A284-L287 PolarHBondContact O-N 3.09Å; L287-A290 PolarHBondContact O-N 3.4Å; L287-K291 PolarHBondContact O-N 3.05Å; L287-L297 HydrophobicContact CD2-CD2 4.06Å; L287-E487 HydrophobicContact CD1-CG 4.05Å; L287-A490 HydrophobicContact CB-CB 3.56Å; L287-A490 HydrophobicContact CD1-CB 4.25Å
288	A	97.7	Very high	96.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.5	-43.8	173.8	0	0	0	0	0	111.4	A284 G285 A290 K291 M292 A490 V493 V503	A284-A288 PolarHBondContact O-N 2.95Å; G285-A288 PolarHBondContact O-N 3.31Å; A288-A290 PolarHBondContact O-N 2.99Å; A288-K291 WeakPolarHBondContact O-CB 3.34Å; A288-K291 PolarHBondContact O-N 3.21Å; A288-M292 WeakPolarHBondContact O-CG 3.07Å; A288-M292 PolarHBondContact O-N 3.2Å; A288-M292 VanDerWaalsContact O-N 3.15Å; A288-A490 HydrophobicContact CB-CB 4.49Å; A288-V493 HydrophobicContact CB-CG2 4.07Å; A288-V503 HydrophobicContact CB-CB 4.09Å; A288-V503 WeakPolarHBondContact CB-O 3.34Å
289	A	97.5	Very high	97	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-40.3	176.7	0	0	0	0	0	112.3	G285 L286 K291 M292 T293 I407 I434 V503	G285-A289 WeakPolarHBondContact O-CB 3.39Å; G285-A289 PolarHBondContact O-N 2.87Å; L286-A289 PolarHBondContact O-N 2.88Å; A289-K291 VanDerWaalsContact C-N 3.33Å; A289-K291 PolarHBondContact O-N 2.74Å; A289-M292 CarbonylContact O-C 3.56Å; A289-M292 WeakPolarHBondContact O-CA 3.4Å; A289-M292 WeakPolarHBondContact O-CB 3.25Å; A289-M292 PolarHBondContact O-N 2.85Å; A289-T293 WeakPolarHBondContact O-CG2 3.13Å; A289-T293 PolarHBondContact O-N 3.04Å; A289-I407 HydrophobicContact CB-CD1 3.72Å; A289-I407 HydrophobicContact CB-CG1 3.97Å; A289-I407 HydrophobicContact CB-CG2 4.09Å; A289-I434 HydrophobicContact CB-CG2 3.7Å; A289-V503 HydrophobicContact CB-CG1 4.23Å
290	A	96.5	Very high	97	Very high	5 Å²	5	38 Å²	38	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-46.6	176	0	0	0	0	0	111.1	L286 L287 A288 M292 T293 K294 K295 L297	L286-A290 VanDerWaalsContact O-CB 3.3Å; L286-A290 WeakPolarHBondContact O-CB 3.34Å; L286-A290 PolarHBondContact O-N 2.79Å; L287-A290 PolarHBondContact O-N 3.4Å; A288-A290 PolarHBondContact O-N 2.99Å; A290-M292 VanDerWaalsContact C-N 3.3Å; A290-M292 PolarHBondContact O-N 3.35Å; A290-T293 PolarHBondContact O-N 3.42Å; A290-T293 VanDerWaalsContact O-N 3.08Å; A290-T293 PolarHBondContact O-OG1 2.89Å; A290-K294 PolarHBondContact O-N 3.28Å; A290-K294 VanDerWaalsContact O-N 3.15Å; A290-K295 CarbonylContact C-O 3.37Å; A290-K295 PolarHBondContact O-N 3.4Å; A290-L297 HydrophobicContact CB-CD1 4.29Å
291	K	95.6	Very high	97	Very high	110 Å²	110	41.4 Å²	41.4	48%	0.478	19%	0.187	S	C	.	.	H	α-helix	trans	-55.5	-44.7	172.9	-64.8	173.3	-177.1	176.3	0	111.7	L287 A288 A289 T293 K294 A490 M498	L287-K291 PolarHBondContact O-N 3.05Å; A288-K291 WeakPolarHBondContact O-CB 3.34Å; A288-K291 PolarHBondContact O-N 3.21Å; A289-K291 VanDerWaalsContact C-N 3.33Å; A289-K291 PolarHBondContact O-N 2.74Å; K291-T293 VanDerWaalsContact C-N 3.29Å; K291-T293 PolarHBondContact O-N 3.45Å; K291-K294 PolarHBondContact O-N 3.31Å; K291-A490 PolarHBondContact NZ-O 3.04Å; K291-M498 HydrophobicContact CB-CE 4.3Å; K291-M498 HydrophobicContact CB-SD 4.39Å; K291-M498 HydrophobicContact CD-CE 3.88Å
292	M	96.3	Very high	97	Very high	15 Å²	15	41.3 Å²	41.3	7%	0.074	19%	0.187	C	C	.	.	H	α-helix	trans	-65.7	-27.9	178.7	-66.3	173.7	72.6	0	0	113.9	A288 A289 A290 K294 R405 I434 M498 V503	A288-M292 WeakPolarHBondContact O-CG 3.07Å; A288-M292 PolarHBondContact O-N 3.2Å; A288-M292 VanDerWaalsContact O-N 3.15Å; A289-M292 CarbonylContact O-C 3.56Å; A289-M292 WeakPolarHBondContact O-CA 3.4Å; A289-M292 WeakPolarHBondContact O-CB 3.25Å; A289-M292 PolarHBondContact O-N 2.85Å; A290-M292 VanDerWaalsContact C-N 3.3Å; A290-M292 PolarHBondContact O-N 3.35Å; M292-K294 VanDerWaalsContact C-N 3.32Å; M292-R405 PolarHBondContact O-NH1 3.32Å; M292-I434 HydrophobicContact CB-CD1 3.66Å; M292-I434 HydrophobicContact CB-CG1 4.34Å; M292-I434 HydrophobicContact CE-CG1 4.13Å; M292-I434 HydrophobicContact CE-CG2 4.19Å; M292-I434 HydrophobicContact SD-CG2 3.96Å; M292-M498 HydrophobicContact CE-CB 4.28Å; M292-M498 VanDerWaalsContact CE-O 3.32Å; M292-M498 WeakPolarHBondContact CE-O 3.32Å; M292-M498 HydrophobicContact CG-CB 3.91Å; M292-M498 HydrophobicContact CG-CG 3.79Å; M292-M498 HydrophobicContact CG-SD 3.68Å; M292-M498 HydrophobicContact SD-CB 4.12Å; M292-M498 HydrophobicContact SD-CG 4.01Å; M292-V503 HydrophobicContact SD-CG1 3.84Å
293	T	96.6	Very high	97.1	Very high	26 Å²	26	41.3 Å²	41.3	16%	0.16	19%	0.186	C	C	.	.	H	α-helix	trans	-82.3	-7.2	171.8	66.1	0	0	0	0	113.7	A289 A290 K291 K295 Q300 R405 I407 I434	A289-T293 WeakPolarHBondContact O-CG2 3.13Å; A289-T293 PolarHBondContact O-N 3.04Å; A290-T293 PolarHBondContact O-N 3.42Å; A290-T293 VanDerWaalsContact O-N 3.08Å; A290-T293 PolarHBondContact O-OG1 2.89Å; K291-T293 VanDerWaalsContact C-N 3.29Å; K291-T293 PolarHBondContact O-N 3.45Å; T293-K295 PolarHBondContact O-N 2.9Å; T293-K295 PolarHBondContact OG1-N 3.5Å; T293-Q300 PolarHBondContact OG1-NE2 2.9Å; T293-R405 HydrophobicContact CG2-CB 4.29Å; T293-I407 HydrophobicContact CG2-CD1 4Å; T293-I407 HydrophobicContact CG2-CG1 4.05Å; T293-I434 HydrophobicContact CG2-CD1 3.49Å; T293-I434 VanDerWaalsContact CG2-CD1 3.49Å
294	K	95.1	Very high	97.1	Very high	198 Å²	198	41.3 Å²	41.3	86%	0.861	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	28.5	-171.6	-54.2	-179.4	-179.6	178.8	0	113.6	A290 K291 M292	A290-K294 PolarHBondContact O-N 3.28Å; A290-K294 VanDerWaalsContact O-N 3.15Å; K291-K294 PolarHBondContact O-N 3.31Å; M292-K294 VanDerWaalsContact C-N 3.32Å
295	K	95.1	Very high	97	Very high	95 Å²	95	43.2 Å²	43.2	41%	0.413	19%	0.194	S	C	.	.	S	Bend	trans	-122.2	149.7	176.1	-67.9	-180	-178.4	-179.3	0	109.8	A290 T293 E299	A290-K295 CarbonylContact C-O 3.37Å; A290-K295 PolarHBondContact O-N 3.4Å; T293-K295 PolarHBondContact O-N 2.9Å; T293-K295 PolarHBondContact OG1-N 3.5Å; K295-E299 WeakPolarHBondContact CA-OE2 3.47Å; K295-E299 HydrophobicContact CB-CB 4.44Å
296	K	95.8	Very high	96.9	Very high	117 Å²	117	43.6 Å²	43.6	51%	0.509	20%	0.198	S	C	.	.			trans	-72.9	159.1	174.2	-65.4	-173.5	177	179.7	0	110.7	K298 E299 E325	K296-K298 VanDerWaalsContact C-N 3.26Å; K296-K298 HydrophobicContact CB-CG 4.12Å; K296-K298 PolarHBondContact O-N 3.03Å; K296-E299 HydrophobicContact CB-CG 4.2Å; K296-E299 PolarHBondContact N-OE2 2.9Å; K296-E299 WeakPolarHBondContact O-CB 3.35Å; K296-E299 PolarHBondContact O-N 3.2Å; K296-E299 VanDerWaalsContact O-N 3.12Å; K296-E325 WeakPolarHBondContact CB-OE2 3.23Å
297	L	96.3	Very high	96.6	Very high	1 Å²	1	44 Å²	44	1%	0.005	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-63.1	-36.7	-179.4	-164.1	74.5	0	0	0	111.4	L286 L287 A290 E299 Q300 F302 T318 A321 M322 E325	L286-L297 HydrophobicContact CB-CD1 4.22Å; L287-L297 HydrophobicContact CD2-CD2 4.06Å; A290-L297 HydrophobicContact CB-CD1 4.29Å; L297-E299 PolarHBondContact O-N 3.14Å; L297-Q300 VanDerWaalsContact O-CB 3.3Å; L297-Q300 WeakPolarHBondContact O-CB 3.45Å; L297-Q300 WeakPolarHBondContact O-CG 3.41Å; L297-Q300 PolarHBondContact O-N 3.19Å; L297-Q300 VanDerWaalsContact O-N 3.09Å; L297-F302 HydrophobicContact CD1-CE1 4.31Å; L297-F302 HydrophobicContact CD1-CZ 3.68Å; L297-F302 HydrophobicContact CG-CZ 4.04Å; L297-T318 HydrophobicContact CD2-CG2 4.24Å; L297-A321 HydrophobicContact CD2-CB 3.36Å; L297-M322 HydrophobicContact CD2-CG 4.08Å; L297-M322 HydrophobicContact CG-CG 4.11Å; L297-E325 PolarHBondContact N-OE1 2.87Å; L297-E325 VanDerWaalsContact N-OE1 3.11Å; L297-E325 PolarHBondContact N-OE2 2.78Å
298	K	96.3	Very high	96	Very high	78 Å²	78	44 Å²	44	34%	0.339	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-65.8	-13.7	176.5	73	176.7	172.6	-176.6	0	115.1	K296 E325 L327	K296-K298 VanDerWaalsContact C-N 3.26Å; K296-K298 HydrophobicContact CB-CG 4.12Å; K296-K298 PolarHBondContact O-N 3.03Å; K298-E325 HydrophobicContact CB-CB 4.2Å; K298-E325 VanDerWaalsContact CB-OE2 3.29Å; K298-E325 WeakPolarHBondContact CB-OE2 3.24Å; K298-E325 HydrophobicContact CD-CB 3.88Å; K298-E325 WeakPolarHBondContact CD-O 3.36Å; K298-E325 HydrophobicContact CG-CB 4.23Å; K298-E325 VanDerWaalsContact CG-OE2 3.26Å; K298-E325 WeakPolarHBondContact CG-OE2 3.3Å; K298-E325 PolarHBondContact N-OE2 3.15Å; K298-E325 PolarHBondContact NZ-O 2.89Å; K298-L327 HydrophobicContact CB-CD1 3.75Å; K298-L327 HydrophobicContact CB-CD2 4.49Å; K298-L327 HydrophobicContact CB-CG 3.84Å; K298-L327 HydrophobicContact CD-CD2 4.45Å; K298-L327 HydrophobicContact CD-CG 4.4Å
299	E	96.3	Very high	95.1	Very high	108 Å²	108	44.3 Å²	44.3	51%	0.505	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-95.1	-5.3	177.6	-63.3	166.3	172.9	0	0	111.7	K295 K296 L297	K295-E299 WeakPolarHBondContact CA-OE2 3.47Å; K295-E299 HydrophobicContact CB-CB 4.44Å; K296-E299 HydrophobicContact CB-CG 4.2Å; K296-E299 PolarHBondContact N-OE2 2.9Å; K296-E299 WeakPolarHBondContact O-CB 3.35Å; K296-E299 PolarHBondContact O-N 3.2Å; K296-E299 VanDerWaalsContact O-N 3.12Å; L297-E299 PolarHBondContact O-N 3.14Å
300	Q	97.2	Very high	94.6	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.047	22%	0.219	C	C	.	.			trans	-84.5	154.9	178.3	-54.3	-64.3	-14.1	0	0	111.1	T293 L297 F302 T379	T293-Q300 PolarHBondContact OG1-NE2 2.9Å; L297-Q300 VanDerWaalsContact O-CB 3.3Å; L297-Q300 WeakPolarHBondContact O-CB 3.45Å; L297-Q300 WeakPolarHBondContact O-CG 3.41Å; L297-Q300 PolarHBondContact O-N 3.19Å; L297-Q300 VanDerWaalsContact O-N 3.09Å; Q300-F302 HydrophobicContact CB-CD2 4.42Å; Q300-F302 HydrophobicContact CB-CE1 3.99Å; Q300-F302 HydrophobicContact CB-CE2 3.64Å; Q300-F302 HydrophobicContact CB-CZ 3.39Å; Q300-F302 HydrophobicContact CG-CZ 4.02Å; Q300-T379 WeakPolarHBondContact CA-OG1 3.25Å; Q300-T379 WeakPolarHBondContact CB-OG1 3.45Å; Q300-T379 PolarHBondContact OE1-OG1 2.92Å
301	K	97.9	Very high	94.5	Very high	73 Å²	73	45.2 Å²	45.2	32%	0.317	22%	0.217	S	C	.	.			trans	-123.9	121.1	169.1	-170.5	-172.6	-65.5	-176.5	0	108.7	V376 P378 T379 A380	K301-V376 HydrophobicContact CD-CG1 3.67Å; K301-V376 WeakPolarHBondContact CD-O 3.45Å; K301-V376 HydrophobicContact CG-CG1 4.34Å; K301-V376 PolarHBondContact NZ-O 2.79Å; K301-P378 CarbonylContact O-C 3.11Å; K301-P378 WeakPolarHBondContact O-CA 3.09Å; K301-P378 WeakPolarHBondContact O-CB 3.24Å; K301-T379 PolarHBondContact N-OG1 2.96Å; K301-T379 PolarHBondContact O-N 3.44Å; K301-T379 PolarHBondContact O-OG1 2.86Å; K301-A380 PolarHBondContact O-N 2.95Å; K301-A380 VanDerWaalsContact O-N 3.17Å
302	F	98.5	Very high	94.3	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.5	-171.7	-54.8	-87	0	0	0	110.6	L286 L297 Q300 F304 T318 M322 G335 I336 W337 A380 I382	L286-F302 HydrophobicContact CD1-CD1 4.19Å; L286-F302 HydrophobicContact CD1-CE1 3.88Å; L286-F302 HydrophobicContact CD2-CD1 4.42Å; L286-F302 HydrophobicContact CD2-CE1 4.06Å; L286-F302 HydrophobicContact CG-CE1 4.42Å; L297-F302 HydrophobicContact CD1-CE1 4.31Å; L297-F302 HydrophobicContact CD1-CZ 3.68Å; L297-F302 HydrophobicContact CG-CZ 4.04Å; Q300-F302 HydrophobicContact CB-CD2 4.42Å; Q300-F302 HydrophobicContact CB-CE1 3.99Å; Q300-F302 HydrophobicContact CB-CE2 3.64Å; Q300-F302 HydrophobicContact CB-CZ 3.39Å; Q300-F302 HydrophobicContact CG-CZ 4.02Å; F302-F304 HydrophobicContact CB-CD2 4.37Å; F302-F304 HydrophobicContact CB-CE2 3.8Å; F302-T318 HydrophobicContact CD2-CG2 4.07Å; F302-T318 HydrophobicContact CE1-CG2 4.22Å; F302-T318 HydrophobicContact CE2-CG2 3.65Å; F302-T318 HydrophobicContact CZ-CG2 3.73Å; F302-M322 HydrophobicContact CE2-CE 4.31Å; F302-M322 HydrophobicContact CE2-SD 4Å; F302-G335 PolarHBondContact N-O 2.98Å; F302-I336 HydrophobicContact CB-CG1 4.48Å; F302-I336 HydrophobicContact CD2-CG1 4.24Å; F302-W337 PolarHBondContact O-N 2.88Å; F302-A380 WeakPolarHBondContact CA-O 3.5Å; F302-A380 HydrophobicContact CD1-CB 3.69Å; F302-A380 HydrophobicContact CE1-CB 4.09Å; F302-I382 HydrophobicContact CB-CD1 4.21Å; F302-I382 HydrophobicContact CD1-CD1 3.95Å
303	L	98.6	Very high	94.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.4	169.1	178.6	65.8	0	0	0	109.5	W337 V339 L369 I372 V373 P378 A380 I381 I382	L303-W337 CarbonylContact C-O 3.56Å; L303-W337 WeakPolarHBondContact CA-O 3.16Å; L303-W337 HydrophobicContact CD1-CB 3.69Å; L303-V339 HydrophobicContact CD1-CG2 3.83Å; L303-L369 HydrophobicContact CD2-CD1 4.17Å; L303-I372 HydrophobicContact CD1-CG2 3.68Å; L303-I372 HydrophobicContact CD2-CG2 3.93Å; L303-I372 HydrophobicContact CG-CG2 4.48Å; L303-V373 HydrophobicContact CD2-CG2 3.55Å; L303-P378 HydrophobicContact CB-CB 3.67Å; L303-P378 HydrophobicContact CB-CG 3.71Å; L303-P378 HydrophobicContact CD2-CG 3.98Å; L303-A380 PolarHBondContact N-O 3.44Å; L303-I381 HydrophobicContact CB-CG1 4.47Å; L303-I381 HydrophobicContact CD2-CD1 4.28Å; L303-I381 HydrophobicContact CD2-CG1 4.36Å; L303-I381 HydrophobicContact CG-CG1 4.49Å; L303-I381 CarbonylContact O-C 3.5Å; L303-I381 WeakPolarHBondContact O-CA 3.22Å; L303-I382 PolarHBondContact O-N 3.05Å
304	F	98.4	Very high	94.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.9	174.5	-69.2	-96.3	0	0	0	110.2	F302 I314 A315 I336 W337 M338 V339 I382	F302-F304 HydrophobicContact CB-CD2 4.37Å; F302-F304 HydrophobicContact CB-CE2 3.8Å; F304-I314 HydrophobicContact CE1-CB 3.82Å; F304-I314 HydrophobicContact CE1-CD1 4.46Å; F304-I314 HydrophobicContact CE1-CG2 3.6Å; F304-I314 HydrophobicContact CZ-CB 4.26Å; F304-I314 HydrophobicContact CZ-CG2 3.77Å; F304-A315 HydrophobicContact CE2-CB 4.14Å; F304-A315 HydrophobicContact CZ-CB 4.2Å; F304-I336 HydrophobicContact CD2-CG2 3.84Å; F304-I336 HydrophobicContact CE2-CG2 3.76Å; F304-W337 PolarHBondContact N-O 3.23Å; F304-M338 HydrophobicContact CB-CG 4.15Å; F304-M338 CarbonylContact O-C 3.58Å; F304-V339 PolarHBondContact O-N 3.02Å; F304-I382 CarbonylContact C-O 3.52Å; F304-I382 VanDerWaalsContact CA-O 3.29Å; F304-I382 WeakPolarHBondContact CA-O 3.39Å; F304-I382 HydrophobicContact CD1-CB 3.83Å; F304-I382 HydrophobicContact CD1-CG2 3.96Å; F304-I382 HydrophobicContact CE1-CB 3.9Å; F304-I382 HydrophobicContact CE1-CD1 4.3Å; F304-I382 HydrophobicContact CE1-CG1 4.27Å; F304-I382 HydrophobicContact CE1-CG2 3.89Å; F304-I382 HydrophobicContact CE2-CD1 4.38Å; F304-I382 HydrophobicContact CG-CB 4.48Å; F304-I382 HydrophobicContact CZ-CD1 4.16Å
305	Y	97.6	Very high	94.3	Very high	40 Å²	40	29.1 Å²	29.1	16%	0.157	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	105.8	165.8	-173.5	-113.3	0	0	0	108.9	V339 L369 I382 A384 A385 I387 A390 F391 E419	Y305-V339 HydrophobicContact CD2-CB 4.1Å; Y305-V339 HydrophobicContact CD2-CG1 4.05Å; Y305-V339 HydrophobicContact CE2-CG1 4.22Å; Y305-L369 HydrophobicContact CD1-CD2 4.47Å; Y305-L369 HydrophobicContact CD2-CD1 3.78Å; Y305-L369 HydrophobicContact CD2-CD2 3.62Å; Y305-L369 HydrophobicContact CD2-CG 4.21Å; Y305-L369 HydrophobicContact CE2-CB 4.47Å; Y305-L369 HydrophobicContact CE2-CD1 4.41Å; Y305-L369 HydrophobicContact CE2-CD2 3.83Å; Y305-L369 HydrophobicContact CE2-CG 4.46Å; Y305-L369 HydrophobicContact CG-CD1 4.46Å; Y305-L369 HydrophobicContact CG-CD2 3.95Å; Y305-I382 PolarHBondContact N-O 2.9Å; Y305-A384 PolarHBondContact O-N 3.24Å; Y305-A385 HydrophobicContact CD1-CB 3.62Å; Y305-A385 HydrophobicContact CE1-CB 3.69Å; Y305-A385 HydrophobicContact CG-CB 4.41Å; Y305-A385 PolarHBondContact O-N 2.76Å; Y305-I387 HydrophobicContact CE1-CB 4.08Å; Y305-I387 HydrophobicContact CE1-CD1 4.06Å; Y305-I387 HydrophobicContact CE1-CG2 4.5Å; Y305-I387 WeakPolarHBondContact OH-CD1 3.37Å; Y305-A390 HydrophobicContact CD1-CB 3.8Å; Y305-A390 HydrophobicContact CE1-CB 3.28Å; Y305-F391 HydrophobicContact CD1-CE1 4.34Å; Y305-F391 HydrophobicContact CG-CE1 4.29Å; Y305-E419 HydrophobicContact CD1-CG 4.29Å
306	G	94.3	Very high	94.3	Very high	8 Å²	8	26.8 Å²	26.8	8%	0.082	14%	0.139	C	C	.	.			trans	109.6	139.6	-162.5	0	0	0	0	0	110.7	S311 V339	G306-S311 VanDerWaalsContact C-OG 3.28Å; G306-S311 WeakPolarHBondContact O-CB 3.05Å; G306-S311 PolarHBondContact O-OG 2.95Å; G306-V339 CarbonylContact C-O 3.54Å; G306-V339 WeakPolarHBondContact CA-O 2.79Å; G306-V339 PolarHBondContact N-O 3.39Å
307	A	91.9	Very high	94.4	Very high	10 Å²	10	21.5 Å²	21.5	8%	0.083	12%	0.116	C	C	.	.			trans	-135.6	39.5	177.7	0	0	0	0	0	110.6	M338 D340 I345 K356	A307-M338 HydrophobicContact CB-CB 4.34Å; A307-M338 HydrophobicContact CB-SD 4.36Å; A307-D340 HydrophobicContact CB-CB 4.08Å; A307-I345 HydrophobicContact CB-CG1 4.41Å; A307-K356 HydrophobicContact CB-CD 4.43Å; A307-K356 HydrophobicContact CB-CG 4.29Å; A307-K356 VanDerWaalsContact O-CE 3.27Å; A307-K356 WeakPolarHBondContact O-CE 3.39Å
308	G	85.7	Confident	94.5	Very high	29 Å²	29	21.5 Å²	21.5	30%	0.299	12%	0.116	S	C	.	.	S	Bend	trans	-94	-161.1	175.7	0	0	0	0	0	112.2	A310 S311 I312	G308-A310 PolarHBondContact O-N 3.22Å; G308-S311 PolarHBondContact O-N 2.86Å; G308-I312 WeakPolarHBondContact O-CB 3.46Å; G308-I312 VanDerWaalsContact O-CG1 3.27Å; G308-I312 WeakPolarHBondContact O-CG1 3.47Å; G308-I312 PolarHBondContact O-N 3.48Å
309	E	79.3	Confident	94.6	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.028	10%	0.1	C	C	.	.	H	α-helix	trans	-56.1	-53.1	-174.7	-50.9	-161	122.8	0	0	114	R160 N254 A257 F258 I275 I312 G313	R160-E309 IonicContact CZ-OE2 2.95Å; R160-E309 IonicContact NH1-OE2 3.74Å; R160-E309 PolarHBondContact NH1-OE2 3.44Å; N254-E309 WeakPolarHBondContact CA-OE1 3.26Å; N254-E309 HydrophobicContact CB-CG 3.92Å; N254-E309 VanDerWaalsContact O-OE1 3.08Å; A257-E309 VanDerWaalsContact CB-OE1 3.25Å; A257-E309 WeakPolarHBondContact CB-OE1 3.45Å; F258-E309 HydrophobicContact CD2-CG 4.13Å; F258-E309 HydrophobicContact CE2-CB 3.85Å; F258-E309 HydrophobicContact CE2-CG 3.61Å; F258-E309 HydrophobicContact CZ-CB 4.11Å; F258-E309 HydrophobicContact CZ-CG 4.36Å; I275-E309 HydrophobicContact CG1-CB 4.16Å; E309-I312 PolarHBondContact O-N 3.01Å; E309-G313 PolarHBondContact O-N 3.32Å
310	A	87.3	Confident	94.7	Very high	25 Å²	25	14.3 Å²	14.3	21%	0.207	8%	0.084	C	C	.	.	H	α-helix	trans	-56.1	-56.1	177.9	0	0	0	0	0	110.5	T278 G308 I312 G313 I314 A384	T278-A310 HydrophobicContact CG2-CB 3.8Å; G308-A310 PolarHBondContact O-N 3.22Å; A310-I312 VanDerWaalsContact C-N 3.35Å; A310-I312 PolarHBondContact O-N 3.12Å; A310-G313 PolarHBondContact O-N 2.9Å; A310-I314 HydrophobicContact CB-CD1 4.48Å; A310-I314 WeakPolarHBondContact O-CB 3.41Å; A310-I314 WeakPolarHBondContact O-CD1 3.33Å; A310-I314 WeakPolarHBondContact O-CG1 3.39Å; A310-I314 PolarHBondContact O-N 2.86Å; A310-A384 HydrophobicContact CB-CB 4.05Å
311	S	93.5	Very high	94.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.6	-42.1	-177.1	-55.3	0	0	0	0	113.3	G306 G308 A315	G306-S311 VanDerWaalsContact C-OG 3.28Å; G306-S311 WeakPolarHBondContact O-CB 3.05Å; G306-S311 PolarHBondContact O-OG 2.95Å; G308-S311 PolarHBondContact O-N 2.86Å; S311-A315 WeakPolarHBondContact O-CB 3.34Å; S311-A315 PolarHBondContact O-N 2.5Å
312	I	92.2	Very high	94.7	Very high	3 Å²	3	10.7 Å²	10.7	2%	0.015	7%	0.069	C	C	.	.	H	α-helix	trans	-68.8	-43.3	178.6	-67.4	-69.9	0	0	0	111	F258 G308 E309 A310 A315 N316 M338 H355 F359	F258-I312 HydrophobicContact CE1-CG2 4.27Å; F258-I312 HydrophobicContact CZ-CB 4.12Å; F258-I312 HydrophobicContact CZ-CG2 3.96Å; G308-I312 WeakPolarHBondContact O-CB 3.46Å; G308-I312 VanDerWaalsContact O-CG1 3.27Å; G308-I312 WeakPolarHBondContact O-CG1 3.47Å; G308-I312 PolarHBondContact O-N 3.48Å; E309-I312 PolarHBondContact O-N 3.01Å; A310-I312 VanDerWaalsContact C-N 3.35Å; A310-I312 PolarHBondContact O-N 3.12Å; I312-A315 PolarHBondContact O-N 2.93Å; I312-N316 WeakPolarHBondContact O-CB 3.48Å; I312-N316 PolarHBondContact O-N 2.89Å; I312-N316 PolarHBondContact O-ND2 3.45Å; I312-N316 VanDerWaalsContact O-ND2 3.07Å; I312-M338 HydrophobicContact CD1-CE 3.96Å; I312-M338 HydrophobicContact CD1-SD 3.66Å; I312-H355 HydrophobicContact CD1-CB 4.31Å; I312-H355 HydrophobicContact CG1-CB 4.5Å; I312-H355 HydrophobicContact CG2-CB 4.12Å; I312-F359 HydrophobicContact CD1-CD2 3.94Å; I312-F359 HydrophobicContact CD1-CE2 4.23Å
313	G	93.4	Very high	94.7	Very high	7 Å²	7	13.9 Å²	13.9	7%	0.072	8%	0.084	C	C	.	.	H	α-helix	trans	-59.3	-52.1	175.3	0	0	0	0	0	111.4	A279 E309 A310 A315 N316 L317	A279-G313 WeakPolarHBondContact CB-O 3.38Å; E309-G313 PolarHBondContact O-N 3.32Å; A310-G313 PolarHBondContact O-N 2.9Å; G313-A315 PolarHBondContact O-N 2.92Å; G313-N316 PolarHBondContact O-N 2.76Å; G313-L317 PolarHBondContact O-N 3.08Å
314	I	97.2	Very high	94.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.6	-49	178.2	-59.6	163.1	0	0	0	109.9	T278 A282 V283 L286 F304 A310 N316 L317 T318 I382 L411	T278-I314 HydrophobicContact CG2-CD1 4.45Å; A282-I314 HydrophobicContact CB-CB 4.37Å; A282-I314 HydrophobicContact CB-CD1 3.67Å; A282-I314 HydrophobicContact CB-CG1 3.62Å; A282-I314 HydrophobicContact CB-CG2 3.78Å; V283-I314 HydrophobicContact CG2-CG2 4.43Å; L286-I314 HydrophobicContact CD1-CG2 4.41Å; F304-I314 HydrophobicContact CE1-CB 3.82Å; F304-I314 HydrophobicContact CE1-CD1 4.46Å; F304-I314 HydrophobicContact CE1-CG2 3.6Å; F304-I314 HydrophobicContact CZ-CB 4.26Å; F304-I314 HydrophobicContact CZ-CG2 3.77Å; A310-I314 HydrophobicContact CB-CD1 4.48Å; A310-I314 WeakPolarHBondContact O-CB 3.41Å; A310-I314 WeakPolarHBondContact O-CD1 3.33Å; A310-I314 WeakPolarHBondContact O-CG1 3.39Å; A310-I314 PolarHBondContact O-N 2.86Å; I314-N316 PolarHBondContact O-N 2.62Å; I314-L317 PolarHBondContact O-N 3.4Å; I314-T318 WeakPolarHBondContact O-CB 3.38Å; I314-T318 PolarHBondContact O-N 2.75Å; I314-T318 PolarHBondContact O-OG1 2.86Å; I314-I382 HydrophobicContact CD1-CG2 4.49Å; I314-L411 HydrophobicContact CD1-CD1 3.79Å
315	A	97.1	Very high	94.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-42.9	-179.9	0	0	0	0	0	113.2	F304 S311 I312 G313 L317 T318 C319 I336 M338 F359	F304-A315 HydrophobicContact CE2-CB 4.14Å; F304-A315 HydrophobicContact CZ-CB 4.2Å; S311-A315 WeakPolarHBondContact O-CB 3.34Å; S311-A315 PolarHBondContact O-N 2.5Å; I312-A315 PolarHBondContact O-N 2.93Å; G313-A315 PolarHBondContact O-N 2.92Å; A315-L317 VanDerWaalsContact C-N 3.33Å; A315-L317 PolarHBondContact O-N 2.91Å; A315-T318 PolarHBondContact O-N 2.73Å; A315-C319 PolarHBondContact O-N 2.87Å; A315-I336 HydrophobicContact CB-CD1 3.95Å; A315-I336 HydrophobicContact CB-CG2 3.93Å; A315-I336 WeakPolarHBondContact O-CD1 3.4Å; A315-M338 HydrophobicContact CB-CE 3.11Å; A315-F359 HydrophobicContact CB-CD1 4.47Å; A315-F359 HydrophobicContact CB-CE1 3.85Å; A315-F359 HydrophobicContact CB-CE2 4.05Å; A315-F359 HydrophobicContact CB-CZ 3.6Å
316	N	96	Very high	94.3	Very high	46 Å²	46	23.7 Å²	23.7	25%	0.246	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-41.8	177.9	-83.6	-45.9	0	0	0	112.2	I312 G313 I314 C319 M320 R329 F359	I312-N316 WeakPolarHBondContact O-CB 3.48Å; I312-N316 PolarHBondContact O-N 2.89Å; I312-N316 PolarHBondContact O-ND2 3.45Å; I312-N316 VanDerWaalsContact O-ND2 3.07Å; G313-N316 PolarHBondContact O-N 2.76Å; I314-N316 PolarHBondContact O-N 2.62Å; N316-C319 WeakPolarHBondContact O-CB 3.23Å; N316-C319 PolarHBondContact O-N 2.76Å; N316-M320 WeakPolarHBondContact O-CG 3.44Å; N316-M320 PolarHBondContact O-N 2.79Å; N316-M320 VanDerWaalsContact O-N 3.16Å; N316-R329 PolarHBondContact O-NH1 2.7Å; N316-R329 VanDerWaalsContact O-NH1 3.09Å; N316-R329 PolarHBondContact O-NH2 3.16Å; N316-R329 PolarHBondContact OD1-NH2 2.96Å; N316-F359 WeakPolarHBondContact OD1-CZ 3.42Å
317	L	97.8	Very high	94.5	Very high	7 Å²	7	25.2 Å²	25.2	4%	0.037	15%	0.149	C	C	.	.	H	α-helix	trans	-74.3	-36.3	179.4	-162.8	70.6	0	0	0	111.8	A279 S280 V283 G313 I314 A315 C319 M320 A321 D479 F482 L483	A279-L317 HydrophobicContact CB-CB 4.06Å; A279-L317 HydrophobicContact CB-CD2 3.92Å; S280-L317 VanDerWaalsContact CA-CD2 3.45Å; V283-L317 HydrophobicContact CB-CD2 4.1Å; V283-L317 HydrophobicContact CB-CG 4.49Å; V283-L317 HydrophobicContact CG2-CB 3.88Å; V283-L317 HydrophobicContact CG2-CD2 3.94Å; V283-L317 HydrophobicContact CG2-CG 4.02Å; G313-L317 PolarHBondContact O-N 3.08Å; I314-L317 PolarHBondContact O-N 3.4Å; A315-L317 VanDerWaalsContact C-N 3.33Å; A315-L317 PolarHBondContact O-N 2.91Å; L317-C319 VanDerWaalsContact C-N 3.32Å; L317-C319 PolarHBondContact O-N 3.49Å; L317-M320 HydrophobicContact CD1-SD 4.05Å; L317-M320 WeakPolarHBondContact O-CB 3.37Å; L317-M320 PolarHBondContact O-N 3.31Å; L317-M320 VanDerWaalsContact O-N 3.12Å; L317-A321 PolarHBondContact O-N 3.37Å; L317-D479 WeakPolarHBondContact CD1-O 3.37Å; L317-F482 HydrophobicContact CD1-CB 4.39Å; L317-F482 HydrophobicContact CD2-CB 4.3Å; L317-L483 HydrophobicContact CD1-CB 3.93Å
318	T	98.3	Very high	94.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-41.4	170.8	-58	0	0	0	0	110.9	V283 L286 L297 F302 I314 A315 M320 A321 M322 I336	V283-T318 WeakPolarHBondContact CG2-OG1 3.31Å; L286-T318 HydrophobicContact CD1-CG2 4.48Å; L297-T318 HydrophobicContact CD2-CG2 4.24Å; F302-T318 HydrophobicContact CD2-CG2 4.07Å; F302-T318 HydrophobicContact CE1-CG2 4.22Å; F302-T318 HydrophobicContact CE2-CG2 3.65Å; F302-T318 HydrophobicContact CZ-CG2 3.73Å; I314-T318 WeakPolarHBondContact O-CB 3.38Å; I314-T318 PolarHBondContact O-N 2.75Å; I314-T318 PolarHBondContact O-OG1 2.86Å; A315-T318 PolarHBondContact O-N 2.73Å; T318-M320 VanDerWaalsContact C-N 3.34Å; T318-M320 PolarHBondContact O-N 2.72Å; T318-A321 WeakPolarHBondContact O-CB 3.46Å; T318-A321 PolarHBondContact O-N 3.31Å; T318-M322 HydrophobicContact CG2-CE 4.09Å; T318-M322 WeakPolarHBondContact O-CG 3.33Å; T318-M322 PolarHBondContact O-N 2.7Å; T318-I336 HydrophobicContact CG2-CD1 4.48Å
319	C	98.1	Very high	95.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.9	-45	172.1	-79	0	0	0	0	111.6	A315 N316 L317 A321 M322 E323 A332 I336	A315-C319 PolarHBondContact O-N 2.87Å; N316-C319 WeakPolarHBondContact O-CB 3.23Å; N316-C319 PolarHBondContact O-N 2.76Å; L317-C319 VanDerWaalsContact C-N 3.32Å; L317-C319 PolarHBondContact O-N 3.49Å; C319-A321 VanDerWaalsContact C-N 3.29Å; C319-A321 PolarHBondContact O-N 2.7Å; C319-M322 PolarHBondContact O-N 3.2Å; C319-M322 VanDerWaalsContact O-N 3.16Å; C319-E323 VanDerWaalsContact O-CG 3.27Å; C319-E323 WeakPolarHBondContact O-CG 3.49Å; C319-E323 PolarHBondContact O-N 2.97Å; C319-A332 HydrophobicContact CB-CB 3.98Å; C319-I336 WeakPolarHBondContact SG-CD1 3.49Å
320	M	97.8	Very high	96.1	Very high	35 Å²	35	35.6 Å²	35.6	17%	0.172	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-37.4	176.9	-68.3	175.5	62.8	0	0	112.5	N316 L317 T318 E323 R324 D479 R480 L483	N316-M320 WeakPolarHBondContact O-CG 3.44Å; N316-M320 PolarHBondContact O-N 2.79Å; N316-M320 VanDerWaalsContact O-N 3.16Å; L317-M320 HydrophobicContact CD1-SD 4.05Å; L317-M320 WeakPolarHBondContact O-CB 3.37Å; L317-M320 PolarHBondContact O-N 3.31Å; L317-M320 VanDerWaalsContact O-N 3.12Å; T318-M320 VanDerWaalsContact C-N 3.34Å; T318-M320 PolarHBondContact O-N 2.72Å; M320-E323 WeakPolarHBondContact CA-OE2 3.33Å; M320-E323 PolarHBondContact N-OE2 2.61Å; M320-E323 PolarHBondContact O-N 2.86Å; M320-R324 PolarHBondContact O-N 2.92Å; M320-D479 HydrophobicContact CE-CB 3.96Å; M320-D479 HydrophobicContact SD-CB 3.75Å; M320-R480 HydrophobicContact CE-CB 4.26Å; M320-L483 HydrophobicContact CB-CD2 4.05Å
321	A	98	Very high	96.6	Very high	5 Å²	5	39 Å²	39	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-43	174.6	0	0	0	0	0	111.6	V283 L297 L317 T318 C319 E323 R324 E325 L483	V283-A321 HydrophobicContact CG1-CB 4.24Å; L297-A321 HydrophobicContact CD2-CB 3.36Å; L317-A321 PolarHBondContact O-N 3.37Å; T318-A321 WeakPolarHBondContact O-CB 3.46Å; T318-A321 PolarHBondContact O-N 3.31Å; C319-A321 VanDerWaalsContact C-N 3.29Å; C319-A321 PolarHBondContact O-N 2.7Å; A321-E323 VanDerWaalsContact C-N 3.32Å; A321-E323 PolarHBondContact O-N 3.01Å; A321-R324 WeakPolarHBondContact O-CB 3.33Å; A321-R324 PolarHBondContact O-N 2.87Å; A321-E325 PolarHBondContact O-N 3.49Å; A321-L483 HydrophobicContact CB-CD1 3.67Å
322	M	98	Very high	96.8	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-33.3	174.8	-70.9	-169.8	-74.6	0	0	112.8	L297 F302 T318 C319 R324 E325 G326 L327 A332 I336	L297-M322 HydrophobicContact CD2-CG 4.08Å; L297-M322 HydrophobicContact CG-CG 4.11Å; F302-M322 HydrophobicContact CE2-CE 4.31Å; F302-M322 HydrophobicContact CE2-SD 4Å; T318-M322 HydrophobicContact CG2-CE 4.09Å; T318-M322 WeakPolarHBondContact O-CG 3.33Å; T318-M322 PolarHBondContact O-N 2.7Å; C319-M322 PolarHBondContact O-N 3.2Å; C319-M322 VanDerWaalsContact O-N 3.16Å; M322-R324 VanDerWaalsContact C-N 3.31Å; M322-R324 PolarHBondContact O-N 3.12Å; M322-E325 PolarHBondContact O-N 3.02Å; M322-G326 PolarHBondContact O-N 3.02Å; M322-L327 HydrophobicContact CB-CD1 4.24Å; M322-L327 PolarHBondContact O-N 3.2Å; M322-L327 HydrophobicContact SD-CD1 4.4Å; M322-A332 HydrophobicContact CB-CB 4.11Å; M322-A332 HydrophobicContact CE-CB 3.81Å; M322-A332 VanDerWaalsContact CE-O 3.3Å; M322-A332 WeakPolarHBondContact CE-O 3.36Å; M322-I336 HydrophobicContact CE-CD1 4Å; M322-I336 HydrophobicContact CE-CG1 4.08Å
323	E	97.7	Very high	97	Very high	68 Å²	68	40.1 Å²	40.1	32%	0.318	21%	0.207	S	C	.	.	H	α-helix	trans	-63.4	-36.3	174	-71.5	170.4	113	0	0	111.5	C319 M320 A321 E325 G326 L327 R329	C319-E323 VanDerWaalsContact O-CG 3.27Å; C319-E323 WeakPolarHBondContact O-CG 3.49Å; C319-E323 PolarHBondContact O-N 2.97Å; M320-E323 WeakPolarHBondContact CA-OE2 3.33Å; M320-E323 PolarHBondContact N-OE2 2.61Å; M320-E323 PolarHBondContact O-N 2.86Å; A321-E323 VanDerWaalsContact C-N 3.32Å; A321-E323 PolarHBondContact O-N 3.01Å; E323-E325 PolarHBondContact O-N 2.83Å; E323-G326 PolarHBondContact O-N 3.21Å; E323-L327 WeakPolarHBondContact CA-O 3.36Å; E323-R329 WeakPolarHBondContact OE1-CA 3.26Å; E323-R329 VanDerWaalsContact OE1-CB 3.31Å; E323-R329 WeakPolarHBondContact OE1-CB 3.06Å; E323-R329 WeakPolarHBondContact OE1-CD 3.43Å; E323-R329 PolarHBondContact OE1-N 2.84Å; E323-R329 WeakPolarHBondContact OE2-CD 3.12Å; E323-R329 IonicContact OE2-CZ 3.6Å; E323-R329 IonicContact OE2-NH1 3.52Å; E323-R329 PolarHBondContact OE2-NH1 2.87Å
324	R	95.3	Very high	97.2	Very high	125 Å²	125	46.8 Å²	46.8	47%	0.472	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-26	171.4	-72.3	-163.2	78.4	156.9	-2.9	113.8	M320 A321 M322 R480 L483 E487	M320-R324 PolarHBondContact O-N 2.92Å; A321-R324 WeakPolarHBondContact O-CB 3.33Å; A321-R324 PolarHBondContact O-N 2.87Å; M322-R324 VanDerWaalsContact C-N 3.31Å; M322-R324 PolarHBondContact O-N 3.12Å; R324-R480 VanDerWaalsContact NE-NH2 3.1Å; R324-L483 HydrophobicContact CG-CD2 4.18Å; R324-E487 WeakPolarHBondContact CD-OE1 3.21Å; R324-E487 IonicContact CZ-OE1 3.32Å; R324-E487 IonicContact CZ-OE2 2.78Å; R324-E487 IonicContact NE-OE1 3.33Å; R324-E487 PolarHBondContact NE-OE1 3.04Å; R324-E487 IonicContact NH1-OE1 3.62Å; R324-E487 PolarHBondContact NH1-OE1 3.49Å; R324-E487 IonicContact NH1-OE2 2.73Å; R324-E487 PolarHBondContact NH1-OE2 3.24Å
325	E	95.9	Very high	97.2	Very high	59 Å²	59	47.5 Å²	47.5	28%	0.276	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	6.5	175.1	-61.2	-170.7	164.3	0	0	113.1	K296 L297 K298 A321 M322 E323	K296-E325 WeakPolarHBondContact CB-OE2 3.23Å; L297-E325 PolarHBondContact N-OE1 2.87Å; L297-E325 VanDerWaalsContact N-OE1 3.11Å; L297-E325 PolarHBondContact N-OE2 2.78Å; K298-E325 HydrophobicContact CB-CB 4.2Å; K298-E325 VanDerWaalsContact CB-OE2 3.29Å; K298-E325 WeakPolarHBondContact CB-OE2 3.24Å; K298-E325 HydrophobicContact CD-CB 3.88Å; K298-E325 WeakPolarHBondContact CD-O 3.36Å; K298-E325 HydrophobicContact CG-CB 4.23Å; K298-E325 VanDerWaalsContact CG-OE2 3.26Å; K298-E325 WeakPolarHBondContact CG-OE2 3.3Å; K298-E325 PolarHBondContact N-OE2 3.15Å; K298-E325 PolarHBondContact NZ-O 2.89Å; A321-E325 PolarHBondContact O-N 3.49Å; M322-E325 PolarHBondContact O-N 3.02Å; E323-E325 PolarHBondContact O-N 2.83Å
326	G	96.8	Very high	97.2	Very high	63 Å²	63	47.5 Å²	47.5	65%	0.649	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.9	10.5	170.9	0	0	0	0	0	115.4	M322 E323	M322-G326 PolarHBondContact O-N 3.02Å; E323-G326 PolarHBondContact O-N 3.21Å
327	L	97.5	Very high	97.3	Very high	40 Å²	40	46.8 Å²	46.8	21%	0.209	24%	0.236	C	C	.	.			trans	-79.3	152.7	170.6	-66.9	-167	0	0	0	111.6	K298 M322 E323 Q331	K298-L327 HydrophobicContact CB-CD1 3.75Å; K298-L327 HydrophobicContact CB-CD2 4.49Å; K298-L327 HydrophobicContact CB-CG 3.84Å; K298-L327 HydrophobicContact CD-CD2 4.45Å; K298-L327 HydrophobicContact CD-CG 4.4Å; M322-L327 HydrophobicContact CB-CD1 4.24Å; M322-L327 PolarHBondContact O-N 3.2Å; M322-L327 HydrophobicContact SD-CD1 4.4Å; E323-L327 WeakPolarHBondContact CA-O 3.36Å; L327-Q331 HydrophobicContact CB-CB 4.19Å; L327-Q331 HydrophobicContact CD1-CB 4.3Å; L327-Q331 HydrophobicContact CD2-CB 4.22Å; L327-Q331 HydrophobicContact CG-CB 4.48Å
328	T	98.1	Very high	97.3	Very high	79 Å²	79	46.5 Å²	46.5	49%	0.485	23%	0.234	S	C	.	.			trans	-76.8	158.5	161.6	59.6	0	0	0	0	110.6	E330 Q331 A332	T328-E330 PolarHBondContact O-N 2.65Å; T328-Q331 PolarHBondContact O-N 3.34Å; T328-Q331 VanDerWaalsContact O-N 3.1Å; T328-Q331 WeakPolarHBondContact OG1-CB 3.4Å; T328-Q331 VanDerWaalsContact OG1-CD 3.26Å; T328-Q331 VanDerWaalsContact OG1-CG 3.26Å; T328-Q331 WeakPolarHBondContact OG1-CG 3.12Å; T328-Q331 PolarHBondContact OG1-N 3.13Å; T328-Q331 PolarHBondContact OG1-OE1 3.32Å; T328-A332 WeakPolarHBondContact O-CB 3.34Å; T328-A332 PolarHBondContact O-N 3.03Å
329	R	96.7	Very high	97.3	Very high	63 Å²	63	46.6 Å²	46.6	24%	0.238	24%	0.235	C	C	.	.	H	α-helix	trans	-51.9	-42.5	175.4	-167.3	67.8	178.6	-175.6	1.3	113.2	N316 E323 A332 K333	N316-R329 PolarHBondContact O-NH1 2.7Å; N316-R329 VanDerWaalsContact O-NH1 3.09Å; N316-R329 PolarHBondContact O-NH2 3.16Å; N316-R329 PolarHBondContact OD1-NH2 2.96Å; E323-R329 WeakPolarHBondContact OE1-CA 3.26Å; E323-R329 VanDerWaalsContact OE1-CB 3.31Å; E323-R329 WeakPolarHBondContact OE1-CB 3.06Å; E323-R329 WeakPolarHBondContact OE1-CD 3.43Å; E323-R329 PolarHBondContact OE1-N 2.84Å; E323-R329 WeakPolarHBondContact OE2-CD 3.12Å; E323-R329 IonicContact OE2-CZ 3.6Å; E323-R329 IonicContact OE2-NH1 3.52Å; E323-R329 PolarHBondContact OE2-NH1 2.87Å; R329-A332 WeakPolarHBondContact O-CB 3.16Å; R329-A332 PolarHBondContact O-N 2.58Å; R329-K333 HydrophobicContact CG-CD 4.45Å; R329-K333 WeakPolarHBondContact O-CB 3.45Å; R329-K333 WeakPolarHBondContact O-CG 3.41Å; R329-K333 PolarHBondContact O-N 3.08Å
330	E	96.2	Very high	97.1	Very high	121 Å²	121	47.5 Å²	47.5	57%	0.565	24%	0.24	S	C	*	.	H	α-helix	trans	-66.9	-40.2	179.6	-70.5	-58.8	122.4	0	0	112.4	T328 K333 K334	T328-E330 PolarHBondContact O-N 2.65Å; E330-K333 PolarHBondContact O-N 3.27Å; E330-K334 WeakPolarHBondContact O-CG 3.45Å; E330-K334 PolarHBondContact O-N 2.82Å
331	Q	97.3	Very high	96.8	Very high	97 Å²	97	51.6 Å²	51.6	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-65.6	-42.3	173.8	-73.3	165.4	-37.9	0	0	111.4	L327 T328 K334	L327-Q331 HydrophobicContact CB-CB 4.19Å; L327-Q331 HydrophobicContact CD1-CB 4.3Å; L327-Q331 HydrophobicContact CD2-CB 4.22Å; L327-Q331 HydrophobicContact CG-CB 4.48Å; T328-Q331 PolarHBondContact O-N 3.34Å; T328-Q331 VanDerWaalsContact O-N 3.1Å; T328-Q331 WeakPolarHBondContact OG1-CB 3.4Å; T328-Q331 VanDerWaalsContact OG1-CD 3.26Å; T328-Q331 VanDerWaalsContact OG1-CG 3.26Å; T328-Q331 WeakPolarHBondContact OG1-CG 3.12Å; T328-Q331 PolarHBondContact OG1-N 3.13Å; T328-Q331 PolarHBondContact OG1-OE1 3.32Å; Q331-K334 PolarHBondContact O-N 3.38Å
332	A	97.8	Very high	96.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.8	-46.6	175.3	0	0	0	0	0	111.6	C319 M322 T328 R329 K334 G335	C319-A332 HydrophobicContact CB-CB 3.98Å; M322-A332 HydrophobicContact CB-CB 4.11Å; M322-A332 HydrophobicContact CE-CB 3.81Å; M322-A332 VanDerWaalsContact CE-O 3.3Å; M322-A332 WeakPolarHBondContact CE-O 3.36Å; T328-A332 WeakPolarHBondContact O-CB 3.34Å; T328-A332 PolarHBondContact O-N 3.03Å; R329-A332 WeakPolarHBondContact O-CB 3.16Å; R329-A332 PolarHBondContact O-N 2.58Å; A332-K334 VanDerWaalsContact C-N 3.32Å; A332-K334 PolarHBondContact O-N 2.76Å; A332-G335 PolarHBondContact O-N 2.9Å
333	K	97.3	Very high	96.4	Very high	26 Å²	26	58.3 Å²	58.3	11%	0.113	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-35.5	177.6	-77.3	177.1	168.9	-167.8	0	113.3	R329 E330 G335 I336 D358 F359 Q361	R329-K333 HydrophobicContact CG-CD 4.45Å; R329-K333 WeakPolarHBondContact O-CB 3.45Å; R329-K333 WeakPolarHBondContact O-CG 3.41Å; R329-K333 PolarHBondContact O-N 3.08Å; E330-K333 PolarHBondContact O-N 3.27Å; K333-G335 PolarHBondContact O-N 2.97Å; K333-I336 PolarHBondContact O-N 2.57Å; K333-D358 WeakPolarHBondContact CD-O 3.31Å; K333-D358 WeakPolarHBondContact CE-O 3.21Å; K333-D358 PolarHBondContact NZ-O 3.47Å; K333-D358 IonicContact NZ-OD1 2.9Å; K333-D358 PolarHBondContact NZ-OD1 2.86Å; K333-D358 IonicContact NZ-OD2 3.88Å; K333-D358 PolarHBondContact NZ-OD2 2.73Å; K333-F359 HydrophobicContact CG-CD1 4.32Å; K333-F359 HydrophobicContact CG-CE1 4.14Å; K333-Q361 PolarHBondContact O-NE2 2.82Å
334	K	96.7	Very high	96.4	Very high	147 Å²	147	55.1 Å²	55.1	64%	0.639	29%	0.286	S	S	*	.	H	α-helix	trans	-63.4	-23.3	175.7	-71.8	176.8	-179.3	-176.8	0	113.5	E330 Q331 A332 I336 W337	E330-K334 WeakPolarHBondContact O-CG 3.45Å; E330-K334 PolarHBondContact O-N 2.82Å; Q331-K334 PolarHBondContact O-N 3.38Å; A332-K334 VanDerWaalsContact C-N 3.32Å; A332-K334 PolarHBondContact O-N 2.76Å; K334-I336 VanDerWaalsContact C-N 3.3Å; K334-W337 PolarHBondContact O-NE1 2.97Å
335	G	96.4	Very high	96.4	Very high	15 Å²	15	49.1 Å²	49.1	16%	0.155	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.1	174.9	0	0	0	0	0	114.4	F302 A332 K333	F302-G335 PolarHBondContact N-O 2.98Å; A332-G335 PolarHBondContact O-N 2.9Å; K333-G335 PolarHBondContact O-N 2.97Å
336	I	98.1	Very high	96.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.6	-171.6	-62.1	-172.4	0	0	0	111.4	F302 F304 A315 T318 C319 M322 K333 K334 M338 F359 Q361	F302-I336 HydrophobicContact CB-CG1 4.48Å; F302-I336 HydrophobicContact CD2-CG1 4.24Å; F304-I336 HydrophobicContact CD2-CG2 3.84Å; F304-I336 HydrophobicContact CE2-CG2 3.76Å; A315-I336 HydrophobicContact CB-CD1 3.95Å; A315-I336 HydrophobicContact CB-CG2 3.93Å; A315-I336 WeakPolarHBondContact O-CD1 3.4Å; T318-I336 HydrophobicContact CG2-CD1 4.48Å; C319-I336 WeakPolarHBondContact SG-CD1 3.49Å; M322-I336 HydrophobicContact CE-CD1 4Å; M322-I336 HydrophobicContact CE-CG1 4.08Å; K333-I336 PolarHBondContact O-N 2.57Å; K334-I336 VanDerWaalsContact C-N 3.3Å; I336-M338 HydrophobicContact CG2-CE 3.91Å; I336-M338 HydrophobicContact CG2-CG 4.36Å; I336-F359 HydrophobicContact CB-CD1 4.12Å; I336-F359 HydrophobicContact CB-CE1 4.4Å; I336-F359 HydrophobicContact CD1-CE1 4.08Å; I336-F359 HydrophobicContact CG2-CD1 3.82Å; I336-F359 HydrophobicContact CG2-CE1 4.16Å; I336-Q361 PolarHBondContact O-NE2 2.79Å
337	W	98.3	Very high	96.5	Very high	31 Å²	31	50 Å²	50	12%	0.117	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.5	179.1	-62.8	69.7	0	0	0	109	F302 L303 F304 K334 L344 Q361 H363 V376	F302-W337 PolarHBondContact O-N 2.88Å; L303-W337 CarbonylContact C-O 3.56Å; L303-W337 WeakPolarHBondContact CA-O 3.16Å; L303-W337 HydrophobicContact CD1-CB 3.69Å; F304-W337 PolarHBondContact N-O 3.23Å; K334-W337 PolarHBondContact O-NE1 2.97Å; W337-L344 HydrophobicContact CE3-CD1 4Å; W337-L344 HydrophobicContact CE3-CD2 4.06Å; W337-L344 HydrophobicContact CZ3-CD2 4.04Å; W337-Q361 HydrophobicContact CD2-CB 4.49Å; W337-Q361 HydrophobicContact CD2-CG 3.73Å; W337-Q361 HydrophobicContact CE3-CB 3.95Å; W337-Q361 HydrophobicContact CE3-CG 3.63Å; W337-Q361 HydrophobicContact CG-CG 4.33Å; W337-Q361 HydrophobicContact CH2-CB 3.89Å; W337-Q361 HydrophobicContact CH2-CG 4.07Å; W337-Q361 HydrophobicContact CZ2-CB 4.42Å; W337-Q361 HydrophobicContact CZ2-CG 4.16Å; W337-Q361 HydrophobicContact CZ3-CB 3.63Å; W337-Q361 HydrophobicContact CZ3-CG 3.81Å; W337-H363 HydrophobicContact CH2-CB 4.37Å; W337-H363 HydrophobicContact CZ3-CB 4.09Å; W337-V376 HydrophobicContact CB-CG1 4.12Å; W337-V376 HydrophobicContact CB-CG2 4.48Å; W337-V376 HydrophobicContact CD2-CB 4.4Å; W337-V376 HydrophobicContact CD2-CG1 3.8Å; W337-V376 HydrophobicContact CD2-CG2 3.68Å; W337-V376 HydrophobicContact CE3-CG1 4.46Å; W337-V376 HydrophobicContact CE3-CG2 3.47Å; W337-V376 VanDerWaalsContact CE3-CG2 3.47Å; W337-V376 HydrophobicContact CG-CG1 3.57Å; W337-V376 HydrophobicContact CG-CG2 4.11Å; W337-V376 HydrophobicContact CZ3-CG2 4.04Å
338	M	97.9	Very high	96.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.6	-178.4	-62.4	-169.1	173.7	0	0	111.5	F304 A307 I312 A315 I336 L344 I345 F359	F304-M338 HydrophobicContact CB-CG 4.15Å; F304-M338 CarbonylContact O-C 3.58Å; A307-M338 HydrophobicContact CB-CB 4.34Å; A307-M338 HydrophobicContact CB-SD 4.36Å; I312-M338 HydrophobicContact CD1-CE 3.96Å; I312-M338 HydrophobicContact CD1-SD 3.66Å; A315-M338 HydrophobicContact CB-CE 3.11Å; I336-M338 HydrophobicContact CG2-CE 3.91Å; I336-M338 HydrophobicContact CG2-CG 4.36Å; M338-L344 WeakPolarHBondContact O-CD1 3.45Å; M338-I345 HydrophobicContact CB-CB 4.27Å; M338-I345 HydrophobicContact CB-CG1 3.84Å; M338-I345 WeakPolarHBondContact O-CG1 3.17Å; M338-I345 PolarHBondContact O-N 3.22Å; M338-F359 HydrophobicContact CE-CB 4.03Å; M338-F359 HydrophobicContact CE-CD1 4.03Å; M338-F359 HydrophobicContact CE-CD2 3.48Å; M338-F359 VanDerWaalsContact CE-CD2 3.48Å; M338-F359 HydrophobicContact CE-CE1 4.37Å; M338-F359 HydrophobicContact CE-CE2 3.87Å; M338-F359 HydrophobicContact CE-CG 3.57Å; M338-F359 HydrophobicContact CE-CZ 4.3Å; M338-F359 HydrophobicContact CG-CB 4.27Å; M338-F359 HydrophobicContact SD-CB 3.84Å; M338-F359 HydrophobicContact SD-CD2 3.97Å; M338-F359 HydrophobicContact SD-CG 4.01Å
339	V	96.9	Very high	96.1	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.8	177	-172.2	0	0	0	0	108.5	L303 F304 Y305 G306 G343 L344 L369 I372	L303-V339 HydrophobicContact CD1-CG2 3.83Å; F304-V339 PolarHBondContact O-N 3.02Å; Y305-V339 HydrophobicContact CD2-CB 4.1Å; Y305-V339 HydrophobicContact CD2-CG1 4.05Å; Y305-V339 HydrophobicContact CE2-CG1 4.22Å; G306-V339 CarbonylContact C-O 3.54Å; G306-V339 WeakPolarHBondContact CA-O 2.79Å; G306-V339 PolarHBondContact N-O 3.39Å; V339-G343 WeakPolarHBondContact CA-O 3.16Å; V339-L344 HydrophobicContact CG2-CD1 4.25Å; V339-L369 HydrophobicContact CG2-CD1 4.25Å; V339-I372 HydrophobicContact CG1-CD1 4.03Å; V339-I372 HydrophobicContact CG2-CD1 3.79Å; V339-I372 HydrophobicContact CG2-CG2 4.16Å
340	D	93.8	Very high	95.7	Very high	19 Å²	19	54.5 Å²	54.5	10%	0.102	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	-171.3	169.1	75.6	3	0	0	0	111.7	A307 K342 G343 I345 R349 K356	A307-D340 HydrophobicContact CB-CB 4.08Å; D340-K342 PolarHBondContact O-N 3.22Å; D340-K342 PolarHBondContact OD1-N 2.87Å; D340-G343 PolarHBondContact N-O 3.25Å; D340-G343 PolarHBondContact O-N 2.98Å; D340-I345 HydrophobicContact CB-CD1 3.97Å; D340-I345 VanDerWaalsContact CG-CD1 3.46Å; D340-I345 WeakPolarHBondContact OD2-CD1 3.46Å; D340-R349 IonicContact OD1-CZ 2.66Å; D340-R349 VanDerWaalsContact OD1-CZ 3.31Å; D340-R349 IonicContact OD1-NH1 2.75Å; D340-R349 PolarHBondContact OD1-NH1 2.85Å; D340-R349 IonicContact OD1-NH2 3.92Å; D340-R349 PolarHBondContact OD1-NH2 3.04Å; D340-R349 IonicContact OD2-NH2 2.66Å; D340-R349 PolarHBondContact OD2-NH2 3.18Å; D340-R349 VanDerWaalsContact OD2-NH2 3.09Å; D340-K356 IonicContact OD2-NZ 3.22Å; D340-K356 PolarHBondContact OD2-NZ 3.06Å
341	S	91.7	Very high	95.3	Very high	120 Å²	120	56.1 Å²	56.1	84%	0.839	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.4	-179.3	56.3	0	0	0	0	114.7
342	K	92.9	Very high	94.9	Very high	144 Å²	144	53.2 Å²	53.2	63%	0.626	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	11.9	176.4	-45.1	178.5	-179.9	179	0	112.6	D340	D340-K342 PolarHBondContact O-N 3.22Å; D340-K342 PolarHBondContact OD1-N 2.87Å
343	G	95	Very high	94.3	Very high	4 Å²	4	57 Å²	57	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	100.3	-158.2	179.8	0	0	0	0	0	113.8	V339 D340 R349 I366	V339-G343 WeakPolarHBondContact CA-O 3.16Å; D340-G343 PolarHBondContact N-O 3.25Å; D340-G343 PolarHBondContact O-N 2.98Å; G343-R349 PolarHBondContact O-NH1 3.4Å; G343-I366 WeakPolarHBondContact CA-O 3.28Å
344	L	97.1	Very high	93.9	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	139.2	-177.1	-171.6	67.1	0	0	0	111.6	W337 M338 V339 V346 R349 I366 I372	W337-L344 HydrophobicContact CE3-CD1 4Å; W337-L344 HydrophobicContact CE3-CD2 4.06Å; W337-L344 HydrophobicContact CZ3-CD2 4.04Å; M338-L344 WeakPolarHBondContact O-CD1 3.45Å; V339-L344 HydrophobicContact CG2-CD1 4.25Å; L344-V346 HydrophobicContact CB-CG1 4.31Å; L344-V346 HydrophobicContact CD2-CG1 3.62Å; L344-V346 HydrophobicContact CG-CG1 3.78Å; L344-V346 PolarHBondContact O-N 3.48Å; L344-R349 WeakPolarHBondContact O-CD 3.45Å; L344-R349 PolarHBondContact O-NH1 3.34Å; L344-I366 HydrophobicContact CD2-CD1 4.21Å; L344-I366 PolarHBondContact N-O 3.35Å; L344-I372 HydrophobicContact CB-CD1 3.85Å; L344-I372 HydrophobicContact CB-CG1 4.23Å; L344-I372 HydrophobicContact CD1-CD1 4.47Å; L344-I372 HydrophobicContact CD1-CG2 3.95Å
345	I	97	Very high	93.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.31	C	S	.	.			trans	-82.6	107.6	173.6	-53.5	-59.8	0	0	0	109	A307 M338 D340 L352 K356 A360 Q361	A307-I345 HydrophobicContact CB-CG1 4.41Å; M338-I345 HydrophobicContact CB-CB 4.27Å; M338-I345 HydrophobicContact CB-CG1 3.84Å; M338-I345 WeakPolarHBondContact O-CG1 3.17Å; M338-I345 PolarHBondContact O-N 3.22Å; D340-I345 HydrophobicContact CB-CD1 3.97Å; D340-I345 VanDerWaalsContact CG-CD1 3.46Å; D340-I345 WeakPolarHBondContact OD2-CD1 3.46Å; I345-L352 HydrophobicContact CD1-CD2 4.06Å; I345-L352 HydrophobicContact CG2-CD1 3.89Å; I345-L352 HydrophobicContact CG2-CD2 4.12Å; I345-K356 HydrophobicContact CD1-CD 4.26Å; I345-K356 HydrophobicContact CG2-CB 4.37Å; I345-K356 WeakPolarHBondContact CG2-O 3.34Å; I345-A360 HydrophobicContact CG2-CB 4Å; I345-Q361 PolarHBondContact O-N 2.87Å; I345-Q361 VanDerWaalsContact O-N 3.11Å
346	V	97.2	Very high	93.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-129.1	157.7	-178.6	-62.6	0	0	0	0	111.7	L344 S348 R349 Q361 H363 E365	L344-V346 HydrophobicContact CB-CG1 4.31Å; L344-V346 HydrophobicContact CD2-CG1 3.62Å; L344-V346 HydrophobicContact CG-CG1 3.78Å; L344-V346 PolarHBondContact O-N 3.48Å; V346-S348 WeakPolarHBondContact CG2-OG 3.38Å; V346-S348 PolarHBondContact O-N 3.43Å; V346-R349 HydrophobicContact CG2-CB 4.44Å; V346-R349 HydrophobicContact CG2-CG 3.81Å; V346-R349 WeakPolarHBondContact O-CB 3.37Å; V346-R349 PolarHBondContact O-N 3.34Å; V346-R349 VanDerWaalsContact O-N 3.11Å; V346-Q361 CarbonylContact C-O 3.49Å; V346-Q361 WeakPolarHBondContact CA-O 3.42Å; V346-Q361 WeakPolarHBondContact CB-O 3.23Å; V346-H363 VanDerWaalsContact CB-O 3.29Å; V346-H363 WeakPolarHBondContact CB-O 3.26Å; V346-H363 HydrophobicContact CG1-CB 3.94Å; V346-H363 WeakPolarHBondContact CG1-O 3.23Å; V346-E365 HydrophobicContact CG2-CG 3.63Å
347	K	95.9	Very high	92.8	Very high	141 Å²	141	62.2 Å²	62.2	61%	0.613	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.7	-175.8	-69.6	-176.5	179.9	178.3	0	113.9	R349 A360 Q361 D362	K347-R349 VanDerWaalsContact C-N 3.28Å; K347-R349 PolarHBondContact O-N 3.27Å; K347-A360 HydrophobicContact CG-CB 4.13Å; K347-A360 WeakPolarHBondContact CG-O 3.35Å; K347-Q361 PolarHBondContact N-O 3.11Å; K347-D362 HydrophobicContact CD-CB 4.13Å
348	S	94.1	Very high	92.5	Very high	71 Å²	71	64.6 Å²	64.6	50%	0.497	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.2	178.5	62.2	0	0	0	0	113.7	V346	V346-S348 WeakPolarHBondContact CG2-OG 3.38Å; V346-S348 PolarHBondContact O-N 3.43Å
349	R	93.5	Very high	92.5	Very high	24 Å²	24	64.7 Å²	64.7	9%	0.091	35%	0.347	C	S	.	.			trans	-71.8	131.6	-177	-83	-178.6	57.8	178.4	-7.9	111.6	D340 G343 L344 V346 K347 L352 E365	D340-R349 IonicContact OD1-CZ 2.66Å; D340-R349 VanDerWaalsContact OD1-CZ 3.31Å; D340-R349 IonicContact OD1-NH1 2.75Å; D340-R349 PolarHBondContact OD1-NH1 2.85Å; D340-R349 IonicContact OD1-NH2 3.92Å; D340-R349 PolarHBondContact OD1-NH2 3.04Å; D340-R349 IonicContact OD2-NH2 2.66Å; D340-R349 PolarHBondContact OD2-NH2 3.18Å; D340-R349 VanDerWaalsContact OD2-NH2 3.09Å; G343-R349 PolarHBondContact O-NH1 3.4Å; L344-R349 WeakPolarHBondContact O-CD 3.45Å; L344-R349 PolarHBondContact O-NH1 3.34Å; V346-R349 HydrophobicContact CG2-CB 4.44Å; V346-R349 HydrophobicContact CG2-CG 3.81Å; V346-R349 WeakPolarHBondContact O-CB 3.37Å; V346-R349 PolarHBondContact O-N 3.34Å; V346-R349 VanDerWaalsContact O-N 3.11Å; K347-R349 VanDerWaalsContact C-N 3.28Å; K347-R349 PolarHBondContact O-N 3.27Å; R349-L352 HydrophobicContact CB-CD1 4.28Å; R349-L352 HydrophobicContact CB-CD2 4.34Å; R349-L352 HydrophobicContact CB-CG 4.27Å; R349-E365 HydrophobicContact CG-CG 3.85Å; R349-E365 VanDerWaalsContact CG-OE1 3.29Å; R349-E365 WeakPolarHBondContact CG-OE1 3.36Å
350	K	89.4	Confident	92.4	Very high	180 Å²	180	65.1 Å²	65.1	78%	0.783	35%	0.351	S	S	*	.	S	Bend	trans	-80.7	157.4	174.5	-60.8	-176.6	-178.8	179.6	0	111.8	L352	K350-L352 VanDerWaalsContact C-N 3.33Å; K350-L352 PolarHBondContact O-N 3.32Å
351	N	86.9	Confident	92.6	Very high	155 Å²	155	65.2 Å²	65.2	83%	0.829	35%	0.351	S	S	*	.	S	Bend	trans	59.3	36.6	173.3	-53.9	-27.3	0	0	0	114.5
352	L	89	Confident	92.8	Very high	37 Å²	37	65.9 Å²	65.9	19%	0.194	35%	0.345	C	S	.	.			trans	-74.3	139.5	167.3	-65	178.2	0	0	0	109.5	I345 R349 K350 K356 A357 A360	I345-L352 HydrophobicContact CD1-CD2 4.06Å; I345-L352 HydrophobicContact CG2-CD1 3.89Å; I345-L352 HydrophobicContact CG2-CD2 4.12Å; R349-L352 HydrophobicContact CB-CD1 4.28Å; R349-L352 HydrophobicContact CB-CD2 4.34Å; R349-L352 HydrophobicContact CB-CG 4.27Å; K350-L352 VanDerWaalsContact C-N 3.33Å; K350-L352 PolarHBondContact O-N 3.32Å; L352-K356 HydrophobicContact CB-CB 4.29Å; L352-K356 HydrophobicContact CD2-CB 4.26Å; L352-K356 HydrophobicContact CD2-CD 4.47Å; L352-A357 HydrophobicContact CB-CB 4.23Å; L352-A360 HydrophobicContact CD1-CB 4.03Å
353	T	86.2	Confident	92.9	Very high	79 Å²	79	62.1 Å²	62.1	49%	0.485	33%	0.33	S	S	.	.			trans	-65.6	155.1	166.7	58.6	0	0	0	0	109.3	H355 K356 A357	T353-H355 PolarHBondContact O-N 2.94Å; T353-H355 VanDerWaalsContact O-N 3.16Å; T353-K356 PolarHBondContact O-N 3.46Å; T353-K356 WeakPolarHBondContact OG1-CG 3.37Å; T353-A357 PolarHBondContact O-N 3.38Å
354	T	87	Confident	92.8	Very high	116 Å²	116	64 Å²	64	71%	0.712	35%	0.349	S	S	*	.	H	α-helix	trans	-51	-43.6	-179.4	-45.1	0	0	0	0	112.1	K356 A357 D358	T354-K356 PolarHBondContact O-N 3Å; T354-A357 PolarHBondContact O-N 3.35Å; T354-D358 PolarHBondContact O-N 2.87Å
355	H	85.6	Confident	92.7	Very high	87 Å²	87	69.9 Å²	69.9	40%	0.403	38%	0.377	S	S	.	.	H	α-helix	trans	-65.8	-35.8	178.5	-56.9	-59.7	0	0	0	113.9	I312 T353	I312-H355 HydrophobicContact CD1-CB 4.31Å; I312-H355 HydrophobicContact CG1-CB 4.5Å; I312-H355 HydrophobicContact CG2-CB 4.12Å; T353-H355 PolarHBondContact O-N 2.94Å; T353-H355 VanDerWaalsContact O-N 3.16Å
356	K	90.6	Very high	92.6	Very high	43 Å²	43	70.5 Å²	70.5	19%	0.187	38%	0.38	C	S	.	.	H	α-helix	trans	-73.5	-39.9	176	-72.8	179.8	178.5	-171.5	0	111.5	A307 D340 I345 L352 T353 T354 D358 F359 A360	A307-K356 HydrophobicContact CB-CD 4.43Å; A307-K356 HydrophobicContact CB-CG 4.29Å; A307-K356 VanDerWaalsContact O-CE 3.27Å; A307-K356 WeakPolarHBondContact O-CE 3.39Å; D340-K356 IonicContact OD2-NZ 3.22Å; D340-K356 PolarHBondContact OD2-NZ 3.06Å; I345-K356 HydrophobicContact CD1-CD 4.26Å; I345-K356 HydrophobicContact CG2-CB 4.37Å; I345-K356 WeakPolarHBondContact CG2-O 3.34Å; L352-K356 HydrophobicContact CB-CB 4.29Å; L352-K356 HydrophobicContact CD2-CB 4.26Å; L352-K356 HydrophobicContact CD2-CD 4.47Å; T353-K356 PolarHBondContact O-N 3.46Å; T353-K356 WeakPolarHBondContact OG1-CG 3.37Å; T354-K356 PolarHBondContact O-N 3Å; K356-D358 PolarHBondContact O-N 3.24Å; K356-F359 PolarHBondContact O-N 2.85Å; K356-F359 VanDerWaalsContact O-N 3.15Å; K356-A360 PolarHBondContact O-N 2.99Å
357	A	92.7	Very high	92.4	Very high	51 Å²	51	74.4 Å²	74.4	42%	0.421	41%	0.412	S	S	.	.	H	α-helix	trans	-57.8	-32.9	177.7	0	0	0	0	0	111.5	L352 T353 T354 F359 A360	L352-A357 HydrophobicContact CB-CB 4.23Å; T353-A357 PolarHBondContact O-N 3.38Å; T354-A357 PolarHBondContact O-N 3.35Å; A357-F359 PolarHBondContact O-N 3.44Å; A357-A360 VanDerWaalsContact O-CB 3.3Å; A357-A360 WeakPolarHBondContact O-CB 3.04Å; A357-A360 PolarHBondContact O-N 3.43Å; A357-A360 VanDerWaalsContact O-N 3.11Å
358	D	92.7	Very high	92.5	Very high	81 Å²	81	70.3 Å²	70.3	43%	0.433	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.3	-179.9	-126.1	37.9	0	0	0	114.8	K333 T354 K356	K333-D358 WeakPolarHBondContact CD-O 3.31Å; K333-D358 WeakPolarHBondContact CE-O 3.21Å; K333-D358 PolarHBondContact NZ-O 3.47Å; K333-D358 IonicContact NZ-OD1 2.9Å; K333-D358 PolarHBondContact NZ-OD1 2.86Å; K333-D358 IonicContact NZ-OD2 3.88Å; K333-D358 PolarHBondContact NZ-OD2 2.73Å; T354-D358 PolarHBondContact O-N 2.87Å; K356-D358 PolarHBondContact O-N 3.24Å
359	F	96.2	Very high	92.6	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.009	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	12.3	176.3	-67	-76.7	0	0	0	112.9	I312 A315 N316 K333 I336 M338 K356 A357 Q361	I312-F359 HydrophobicContact CD1-CD2 3.94Å; I312-F359 HydrophobicContact CD1-CE2 4.23Å; A315-F359 HydrophobicContact CB-CD1 4.47Å; A315-F359 HydrophobicContact CB-CE1 3.85Å; A315-F359 HydrophobicContact CB-CE2 4.05Å; A315-F359 HydrophobicContact CB-CZ 3.6Å; N316-F359 WeakPolarHBondContact OD1-CZ 3.42Å; K333-F359 HydrophobicContact CG-CD1 4.32Å; K333-F359 HydrophobicContact CG-CE1 4.14Å; I336-F359 HydrophobicContact CB-CD1 4.12Å; I336-F359 HydrophobicContact CB-CE1 4.4Å; I336-F359 HydrophobicContact CD1-CE1 4.08Å; I336-F359 HydrophobicContact CG2-CD1 3.82Å; I336-F359 HydrophobicContact CG2-CE1 4.16Å; M338-F359 HydrophobicContact CE-CB 4.03Å; M338-F359 HydrophobicContact CE-CD1 4.03Å; M338-F359 HydrophobicContact CE-CD2 3.48Å; M338-F359 VanDerWaalsContact CE-CD2 3.48Å; M338-F359 HydrophobicContact CE-CE1 4.37Å; M338-F359 HydrophobicContact CE-CE2 3.87Å; M338-F359 HydrophobicContact CE-CG 3.57Å; M338-F359 HydrophobicContact CE-CZ 4.3Å; M338-F359 HydrophobicContact CG-CB 4.27Å; M338-F359 HydrophobicContact SD-CB 3.84Å; M338-F359 HydrophobicContact SD-CD2 3.97Å; M338-F359 HydrophobicContact SD-CG 4.01Å; K356-F359 PolarHBondContact O-N 2.85Å; K356-F359 VanDerWaalsContact O-N 3.15Å; A357-F359 PolarHBondContact O-N 3.44Å; F359-Q361 PolarHBondContact O-N 3.17Å
360	A	96.6	Very high	92.7	Very high	13 Å²	13	71 Å²	71	11%	0.107	40%	0.398	C	S	.	.			trans	-69.9	120.9	-179.4	0	0	0	0	0	111.6	I345 K347 L352 K356 A357	I345-A360 HydrophobicContact CG2-CB 4Å; K347-A360 HydrophobicContact CG-CB 4.13Å; K347-A360 WeakPolarHBondContact CG-O 3.35Å; L352-A360 HydrophobicContact CD1-CB 4.03Å; K356-A360 PolarHBondContact O-N 2.99Å; A357-A360 VanDerWaalsContact O-CB 3.3Å; A357-A360 WeakPolarHBondContact O-CB 3.04Å; A357-A360 PolarHBondContact O-N 3.43Å; A357-A360 VanDerWaalsContact O-N 3.11Å
361	Q	96.8	Very high	93.1	Very high	20 Å²	20	67.2 Å²	67.2	9%	0.093	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-83.9	150.1	-177.8	-62.8	-62.1	-26	0	0	111.8	K333 I336 W337 I345 V346 K347 F359 H363	K333-Q361 PolarHBondContact O-NE2 2.82Å; I336-Q361 PolarHBondContact O-NE2 2.79Å; W337-Q361 HydrophobicContact CD2-CB 4.49Å; W337-Q361 HydrophobicContact CD2-CG 3.73Å; W337-Q361 HydrophobicContact CE3-CB 3.95Å; W337-Q361 HydrophobicContact CE3-CG 3.63Å; W337-Q361 HydrophobicContact CG-CG 4.33Å; W337-Q361 HydrophobicContact CH2-CB 3.89Å; W337-Q361 HydrophobicContact CH2-CG 4.07Å; W337-Q361 HydrophobicContact CZ2-CB 4.42Å; W337-Q361 HydrophobicContact CZ2-CG 4.16Å; W337-Q361 HydrophobicContact CZ3-CB 3.63Å; W337-Q361 HydrophobicContact CZ3-CG 3.81Å; I345-Q361 PolarHBondContact O-N 2.87Å; I345-Q361 VanDerWaalsContact O-N 3.11Å; V346-Q361 CarbonylContact C-O 3.49Å; V346-Q361 WeakPolarHBondContact CA-O 3.42Å; V346-Q361 WeakPolarHBondContact CB-O 3.23Å; K347-Q361 PolarHBondContact N-O 3.11Å; F359-Q361 PolarHBondContact O-N 3.17Å; Q361-H363 VanDerWaalsContact C-N 3.33Å; Q361-H363 PolarHBondContact O-N 3.38Å; Q361-H363 VanDerWaalsContact O-N 3.07Å
362	D	95.5	Very high	93.6	Very high	135 Å²	135	59.9 Å²	59.9	72%	0.722	34%	0.344	S	S	*	.	S	Bend	trans	-81.7	82.9	173.6	-166.1	12.2	0	0	0	109.5	K347	K347-D362 HydrophobicContact CD-CB 4.13Å
363	H	95.6	Very high	94	Very high	65 Å²	65	58.1 Å²	58.1	30%	0.301	33%	0.334	S	S	.	.	S	Bend	trans	-153.5	160.5	-174.2	-164.6	-82	0	0	0	110.6	W337 V346 Q361 I366	W337-H363 HydrophobicContact CH2-CB 4.37Å; W337-H363 HydrophobicContact CZ3-CB 4.09Å; V346-H363 VanDerWaalsContact CB-O 3.29Å; V346-H363 WeakPolarHBondContact CB-O 3.26Å; V346-H363 HydrophobicContact CG1-CB 3.94Å; V346-H363 WeakPolarHBondContact CG1-O 3.23Å; Q361-H363 VanDerWaalsContact C-N 3.33Å; Q361-H363 PolarHBondContact O-N 3.38Å; Q361-H363 VanDerWaalsContact O-N 3.07Å; H363-I366 VanDerWaalsContact CE1-CD1 3.43Å; H363-I366 WeakPolarHBondContact CE1-CD1 3.46Å
364	G	93.9	Very high	94.6	Very high	44 Å²	44	56.3 Å²	56.3	45%	0.454	33%	0.325	S	S	.	.			trans	-66.2	154.4	169.4	0	0	0	0	0	112.9
365	E	94.7	Very high	95	Very high	123 Å²	123	54.4 Å²	54.4	58%	0.575	31%	0.31	S	S	*	.			trans	-66.5	132.9	176.4	-67.5	-174.4	-161.2	0	0	111.1	V346 R349	V346-E365 HydrophobicContact CG2-CG 3.63Å; R349-E365 HydrophobicContact CG-CG 3.85Å; R349-E365 VanDerWaalsContact CG-OE1 3.29Å; R349-E365 WeakPolarHBondContact CG-OE1 3.36Å
366	I	95.1	Very high	95.5	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.072	29%	0.292	C	S	.	.			trans	-136	133.8	175.7	-55.4	158.1	0	0	0	107.7	G343 L344 H363 E371 I372 I375	G343-I366 WeakPolarHBondContact CA-O 3.28Å; L344-I366 HydrophobicContact CD2-CD1 4.21Å; L344-I366 PolarHBondContact N-O 3.35Å; H363-I366 VanDerWaalsContact CE1-CD1 3.43Å; H363-I366 WeakPolarHBondContact CE1-CD1 3.46Å; I366-E371 HydrophobicContact CG2-CB 3.91Å; I366-E371 HydrophobicContact CG2-CG 3.8Å; I366-E371 WeakPolarHBondContact CG2-OE2 3.39Å; I366-I372 HydrophobicContact CB-CD1 4.42Å; I366-I372 HydrophobicContact CB-CG1 3.8Å; I366-I372 HydrophobicContact CD1-CG1 4.43Å; I366-I372 HydrophobicContact CG2-CD1 4.34Å; I366-I372 HydrophobicContact CG2-CG1 3.57Å; I366-I375 HydrophobicContact CD1-CD1 3.5Å; I366-I375 VanDerWaalsContact CD1-CD1 3.5Å; I366-I375 HydrophobicContact CD1-CG2 4.41Å; I366-I375 HydrophobicContact CG1-CD1 4.37Å
367	A	93.4	Very high	95.9	Very high	81 Å²	81	54.8 Å²	54.8	67%	0.669	31%	0.311	S	S	*	.			trans	-97.9	-39.9	-179.1	0	0	0	0	0	113.3	L369	A367-L369 PolarHBondContact O-N 3.35Å
368	S	96.2	Very high	96.1	Very high	55 Å²	55	52.3 Å²	52.3	39%	0.385	29%	0.291	S	S	.	.			trans	-72.6	124.8	-175.7	172.8	0	0	0	0	111.5	E370 E371 I372	S368-E370 PolarHBondContact O-N 3.16Å; S368-E370 PolarHBondContact OG-N 2.92Å; S368-E371 PolarHBondContact O-N 3.21Å; S368-E371 PolarHBondContact OG-N 3.43Å; S368-I372 WeakPolarHBondContact O-CD1 3.11Å; S368-I372 WeakPolarHBondContact O-CG1 3.38Å; S368-I372 PolarHBondContact O-N 2.77Å
369	L	96.6	Very high	96.4	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.099	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-37.9	175.1	-178.9	59.4	0	0	0	111.8	L303 Y305 V339 A367 I372 V373 F391 I395	L303-L369 HydrophobicContact CD2-CD1 4.17Å; Y305-L369 HydrophobicContact CD1-CD2 4.47Å; Y305-L369 HydrophobicContact CD2-CD1 3.78Å; Y305-L369 HydrophobicContact CD2-CD2 3.62Å; Y305-L369 HydrophobicContact CD2-CG 4.21Å; Y305-L369 HydrophobicContact CE2-CB 4.47Å; Y305-L369 HydrophobicContact CE2-CD1 4.41Å; Y305-L369 HydrophobicContact CE2-CD2 3.83Å; Y305-L369 HydrophobicContact CE2-CG 4.46Å; Y305-L369 HydrophobicContact CG-CD1 4.46Å; Y305-L369 HydrophobicContact CG-CD2 3.95Å; V339-L369 HydrophobicContact CG2-CD1 4.25Å; A367-L369 PolarHBondContact O-N 3.35Å; L369-I372 PolarHBondContact O-N 3.03Å; L369-V373 HydrophobicContact CD1-CG2 4.37Å; L369-V373 HydrophobicContact CG-CG2 4.49Å; L369-V373 VanDerWaalsContact O-CG2 3.25Å; L369-V373 WeakPolarHBondContact O-CG2 3.46Å; L369-V373 PolarHBondContact O-N 3.16Å; L369-F391 HydrophobicContact CD2-CD1 4.22Å; L369-F391 HydrophobicContact CD2-CE1 4.29Å; L369-I395 HydrophobicContact CB-CD1 4.28Å; L369-I395 HydrophobicContact CD2-CD1 3.72Å; L369-I395 HydrophobicContact CG-CD1 3.83Å
370	E	96.3	Very high	96.5	Very high	91 Å²	91	49.2 Å²	49.2	43%	0.425	27%	0.274	S	S	.	.	H	α-helix	trans	-69.3	-36.5	-178.6	-162.5	166.8	-146.3	0	0	112.1	S368 S374 G394 I395	S368-E370 PolarHBondContact O-N 3.16Å; S368-E370 PolarHBondContact OG-N 2.92Å; E370-S374 PolarHBondContact O-N 2.96Å; E370-S374 VanDerWaalsContact O-N 3.15Å; E370-S374 PolarHBondContact O-OG 3.28Å; E370-G394 WeakPolarHBondContact OE1-CA 3.38Å; E370-I395 HydrophobicContact CB-CD1 4.46Å; E370-I395 HydrophobicContact CB-CG1 4.08Å; E370-I395 HydrophobicContact CG-CG1 4.01Å
371	E	97.1	Very high	96.6	Very high	101 Å²	101	48.6 Å²	48.6	47%	0.472	27%	0.27	S	S	.	.	H	α-helix	trans	-67.4	-44.9	171.7	-171.9	-179.2	179.6	0	0	111	I366 S368 V373 S374 I375	I366-E371 HydrophobicContact CG2-CB 3.91Å; I366-E371 HydrophobicContact CG2-CG 3.8Å; I366-E371 WeakPolarHBondContact CG2-OE2 3.39Å; S368-E371 PolarHBondContact O-N 3.21Å; S368-E371 PolarHBondContact OG-N 3.43Å; E371-V373 VanDerWaalsContact C-N 3.34Å; E371-V373 PolarHBondContact O-N 3.27Å; E371-S374 WeakPolarHBondContact O-CB 3.39Å; E371-S374 PolarHBondContact O-N 3.37Å; E371-S374 VanDerWaalsContact O-N 3.11Å; E371-I375 HydrophobicContact CG-CD1 3.9Å; E371-I375 WeakPolarHBondContact O-CG1 3.39Å; E371-I375 PolarHBondContact O-N 3.48Å
372	I	97.8	Very high	96.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.3	-47.6	175.8	-68.3	163.3	0	0	0	110.6	L303 V339 L344 I366 S368 L369 S374 I375 V376	L303-I372 HydrophobicContact CD1-CG2 3.68Å; L303-I372 HydrophobicContact CD2-CG2 3.93Å; L303-I372 HydrophobicContact CG-CG2 4.48Å; V339-I372 HydrophobicContact CG1-CD1 4.03Å; V339-I372 HydrophobicContact CG2-CD1 3.79Å; V339-I372 HydrophobicContact CG2-CG2 4.16Å; L344-I372 HydrophobicContact CB-CD1 3.85Å; L344-I372 HydrophobicContact CB-CG1 4.23Å; L344-I372 HydrophobicContact CD1-CD1 4.47Å; L344-I372 HydrophobicContact CD1-CG2 3.95Å; I366-I372 HydrophobicContact CB-CD1 4.42Å; I366-I372 HydrophobicContact CB-CG1 3.8Å; I366-I372 HydrophobicContact CD1-CG1 4.43Å; I366-I372 HydrophobicContact CG2-CD1 4.34Å; I366-I372 HydrophobicContact CG2-CG1 3.57Å; S368-I372 WeakPolarHBondContact O-CD1 3.11Å; S368-I372 WeakPolarHBondContact O-CG1 3.38Å; S368-I372 PolarHBondContact O-N 2.77Å; L369-I372 PolarHBondContact O-N 3.03Å; I372-S374 VanDerWaalsContact C-N 3.26Å; I372-S374 PolarHBondContact O-N 3.2Å; I372-I375 PolarHBondContact O-N 3.45Å; I372-V376 HydrophobicContact CG2-CG2 3.82Å; I372-V376 VanDerWaalsContact O-CB 3.24Å; I372-V376 WeakPolarHBondContact O-CB 3.25Å; I372-V376 VanDerWaalsContact O-CG2 3.27Å; I372-V376 WeakPolarHBondContact O-CG2 3.3Å; I372-V376 PolarHBondContact O-N 2.89Å
373	V	98.3	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.9	-41.7	177.5	168.6	0	0	0	0	110.8	L303 L369 E371 K377 P378 I381 I395 K398 M399 M402	L303-V373 HydrophobicContact CD2-CG2 3.55Å; L369-V373 HydrophobicContact CD1-CG2 4.37Å; L369-V373 HydrophobicContact CG-CG2 4.49Å; L369-V373 VanDerWaalsContact O-CG2 3.25Å; L369-V373 WeakPolarHBondContact O-CG2 3.46Å; L369-V373 PolarHBondContact O-N 3.16Å; E371-V373 VanDerWaalsContact C-N 3.34Å; E371-V373 PolarHBondContact O-N 3.27Å; V373-K377 WeakPolarHBondContact O-CA 3.2Å; V373-K377 PolarHBondContact O-N 3.18Å; V373-P378 WeakPolarHBondContact O-CD 3.11Å; V373-I381 HydrophobicContact CG2-CD1 4.02Å; V373-I395 HydrophobicContact CG2-CG2 4.15Å; V373-K398 HydrophobicContact CG1-CB 4.37Å; V373-K398 HydrophobicContact CG1-CG 4.13Å; V373-M399 HydrophobicContact CG1-CG 4.32Å; V373-M399 HydrophobicContact CG1-SD 4.1Å; V373-M402 HydrophobicContact CG1-CE 3.73Å
374	S	97	Very high	96.7	Very high	42 Å²	42	39.2 Å²	39.2	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-67.5	-36.2	-179.9	-63.6	0	0	0	0	113.5	E370 E371 I372 K377	E370-S374 PolarHBondContact O-N 2.96Å; E370-S374 VanDerWaalsContact O-N 3.15Å; E370-S374 PolarHBondContact O-OG 3.28Å; E371-S374 WeakPolarHBondContact O-CB 3.39Å; E371-S374 PolarHBondContact O-N 3.37Å; E371-S374 VanDerWaalsContact O-N 3.11Å; I372-S374 VanDerWaalsContact C-N 3.26Å; I372-S374 PolarHBondContact O-N 3.2Å; S374-K377 WeakPolarHBondContact O-CE 3.26Å; S374-K377 VanDerWaalsContact O-CG 3.28Å; S374-K377 WeakPolarHBondContact O-CG 3.39Å
375	I	96	Very high	96.5	Very high	76 Å²	76	38.2 Å²	38.2	39%	0.39	21%	0.213	S	C	.	.	H	α-helix	trans	-81.7	-49.5	-179.1	-70.1	171.9	0	0	0	111.1	I366 E371 I372 K377	I366-I375 HydrophobicContact CD1-CD1 3.5Å; I366-I375 VanDerWaalsContact CD1-CD1 3.5Å; I366-I375 HydrophobicContact CD1-CG2 4.41Å; I366-I375 HydrophobicContact CG1-CD1 4.37Å; E371-I375 HydrophobicContact CG-CD1 3.9Å; E371-I375 WeakPolarHBondContact O-CG1 3.39Å; E371-I375 PolarHBondContact O-N 3.48Å; I372-I375 PolarHBondContact O-N 3.45Å; I375-K377 VanDerWaalsContact C-N 3.32Å; I375-K377 PolarHBondContact O-N 3.02Å
376	V	96.9	Very high	96.2	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.018	21%	0.211	C	C	.	.	H	α-helix	trans	-67.4	-37.2	-177.2	174.5	0	0	0	0	110.7	K301 W337 I372 P378	K301-V376 HydrophobicContact CD-CG1 3.67Å; K301-V376 WeakPolarHBondContact CD-O 3.45Å; K301-V376 HydrophobicContact CG-CG1 4.34Å; K301-V376 PolarHBondContact NZ-O 2.79Å; W337-V376 HydrophobicContact CB-CG1 4.12Å; W337-V376 HydrophobicContact CB-CG2 4.48Å; W337-V376 HydrophobicContact CD2-CB 4.4Å; W337-V376 HydrophobicContact CD2-CG1 3.8Å; W337-V376 HydrophobicContact CD2-CG2 3.68Å; W337-V376 HydrophobicContact CE3-CG1 4.46Å; W337-V376 HydrophobicContact CE3-CG2 3.47Å; W337-V376 VanDerWaalsContact CE3-CG2 3.47Å; W337-V376 HydrophobicContact CG-CG1 3.57Å; W337-V376 HydrophobicContact CG-CG2 4.11Å; W337-V376 HydrophobicContact CZ3-CG2 4.04Å; I372-V376 HydrophobicContact CG2-CG2 3.82Å; I372-V376 VanDerWaalsContact O-CB 3.24Å; I372-V376 WeakPolarHBondContact O-CB 3.25Å; I372-V376 VanDerWaalsContact O-CG2 3.27Å; I372-V376 WeakPolarHBondContact O-CG2 3.3Å; I372-V376 PolarHBondContact O-N 2.89Å; V376-P378 HydrophobicContact CG1-CB 4.26Å; V376-P378 HydrophobicContact CG1-CG 4.49Å
377	K	97.9	Very high	96	Very high	134 Å²	134	39.7 Å²	39.7	58%	0.583	23%	0.227	S	C	*	.			trans	51.4	58.9	-172.9	-53.4	-177.6	179.9	176.2	0	111.5	V373 S374 I375 M402	V373-K377 WeakPolarHBondContact O-CA 3.2Å; V373-K377 PolarHBondContact O-N 3.18Å; S374-K377 WeakPolarHBondContact O-CE 3.26Å; S374-K377 VanDerWaalsContact O-CG 3.28Å; S374-K377 WeakPolarHBondContact O-CG 3.39Å; I375-K377 VanDerWaalsContact C-N 3.32Å; I375-K377 PolarHBondContact O-N 3.02Å; K377-M402 HydrophobicContact CB-SD 3.78Å; K377-M402 HydrophobicContact CD-SD 4.45Å; K377-M402 HydrophobicContact CG-SD 3.68Å
378	P	98.4	Very high	96.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.			trans	-69.4	152.5	-178.4	30.9	-33.3	0	0	0	110.9	K301 L303 V373 V376 M399 N403	K301-P378 CarbonylContact O-C 3.11Å; K301-P378 WeakPolarHBondContact O-CA 3.09Å; K301-P378 WeakPolarHBondContact O-CB 3.24Å; L303-P378 HydrophobicContact CB-CB 3.67Å; L303-P378 HydrophobicContact CB-CG 3.71Å; L303-P378 HydrophobicContact CD2-CG 3.98Å; V373-P378 WeakPolarHBondContact O-CD 3.11Å; V376-P378 HydrophobicContact CG1-CB 4.26Å; V376-P378 HydrophobicContact CG1-CG 4.49Å; P378-M399 HydrophobicContact CG-CE 4.31Å; P378-M399 HydrophobicContact CG-SD 3.71Å; P378-N403 PolarHBondContact O-ND2 2.86Å
379	T	98.4	Very high	96.1	Very high	17 Å²	17	37.1 Å²	37.1	10%	0.104	22%	0.217	C	C	.	.	S	Bend	trans	-87.9	-26.5	169.3	61.7	0	0	0	0	111.5	Q300 K301 N403 I407	Q300-T379 WeakPolarHBondContact CA-OG1 3.25Å; Q300-T379 WeakPolarHBondContact CB-OG1 3.45Å; Q300-T379 PolarHBondContact OE1-OG1 2.92Å; K301-T379 PolarHBondContact N-OG1 2.96Å; K301-T379 PolarHBondContact O-N 3.44Å; K301-T379 PolarHBondContact O-OG1 2.86Å; T379-N403 WeakPolarHBondContact CA-OD1 3.49Å; T379-N403 WeakPolarHBondContact CG2-OD1 3.46Å; T379-I407 PolarHBondContact O-N 3.22Å; T379-I407 VanDerWaalsContact O-N 3.08Å
380	A	98.7	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.4	176.8	0	0	0	0	0	111.5	K301 F302 L303 I382 I407	K301-A380 PolarHBondContact O-N 2.95Å; K301-A380 VanDerWaalsContact O-N 3.17Å; F302-A380 WeakPolarHBondContact CA-O 3.5Å; F302-A380 HydrophobicContact CD1-CB 3.69Å; F302-A380 HydrophobicContact CE1-CB 4.09Å; L303-A380 PolarHBondContact N-O 3.44Å; A380-I382 HydrophobicContact CB-CD1 4.03Å; A380-I407 WeakPolarHBondContact CA-O 3.48Å; A380-I407 HydrophobicContact CB-CB 3.7Å; A380-I407 HydrophobicContact CB-CD1 4.21Å; A380-I407 HydrophobicContact CB-CG1 4.48Å; A380-I407 HydrophobicContact CB-CG2 4.02Å
381	I	98.7	Very high	96.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.5	169.6	-163.8	175.1	0	0	0	109.6	L303 V373 F391 I395 M399 I407 I408 F409	L303-I381 HydrophobicContact CB-CG1 4.47Å; L303-I381 HydrophobicContact CD2-CD1 4.28Å; L303-I381 HydrophobicContact CD2-CG1 4.36Å; L303-I381 HydrophobicContact CG-CG1 4.49Å; L303-I381 CarbonylContact O-C 3.5Å; L303-I381 WeakPolarHBondContact O-CA 3.22Å; V373-I381 HydrophobicContact CG2-CD1 4.02Å; I381-F391 HydrophobicContact CB-CZ 4.45Å; I381-F391 HydrophobicContact CD1-CD1 3.87Å; I381-F391 HydrophobicContact CD1-CE1 3.5Å; I381-F391 HydrophobicContact CD1-CE2 4.46Å; I381-F391 HydrophobicContact CD1-CZ 3.83Å; I381-F391 HydrophobicContact CG1-CE1 3.82Å; I381-F391 HydrophobicContact CG1-CE2 4.25Å; I381-F391 HydrophobicContact CG1-CZ 3.63Å; I381-F391 HydrophobicContact CG2-CD2 4.34Å; I381-F391 HydrophobicContact CG2-CE2 3.98Å; I381-F391 HydrophobicContact CG2-CZ 4.24Å; I381-I395 HydrophobicContact CD1-CG2 3.99Å; I381-M399 HydrophobicContact CB-CE 4.03Å; I381-M399 HydrophobicContact CB-SD 4.4Å; I381-M399 HydrophobicContact CG2-CE 4.03Å; I381-M399 HydrophobicContact CG2-CG 4.37Å; I381-I407 PolarHBondContact N-O 3.05Å; I381-I408 HydrophobicContact CG2-CB 4.3Å; I381-I408 HydrophobicContact CG2-CG1 4.13Å; I381-I408 HydrophobicContact CG2-CG2 4.09Å; I381-F409 PolarHBondContact O-N 3.06Å
382	I	98.5	Very high	96.3	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116	-175.8	-57	92.9	0	0	0	109.1	L286 F302 L303 F304 Y305 I314 A380 F409 L411	L286-I382 HydrophobicContact CD2-CD1 4.47Å; L286-I382 HydrophobicContact CD2-CG1 4.42Å; F302-I382 HydrophobicContact CB-CD1 4.21Å; F302-I382 HydrophobicContact CD1-CD1 3.95Å; L303-I382 PolarHBondContact O-N 3.05Å; F304-I382 CarbonylContact C-O 3.52Å; F304-I382 VanDerWaalsContact CA-O 3.29Å; F304-I382 WeakPolarHBondContact CA-O 3.39Å; F304-I382 HydrophobicContact CD1-CB 3.83Å; F304-I382 HydrophobicContact CD1-CG2 3.96Å; F304-I382 HydrophobicContact CE1-CB 3.9Å; F304-I382 HydrophobicContact CE1-CD1 4.3Å; F304-I382 HydrophobicContact CE1-CG1 4.27Å; F304-I382 HydrophobicContact CE1-CG2 3.89Å; F304-I382 HydrophobicContact CE2-CD1 4.38Å; F304-I382 HydrophobicContact CG-CB 4.48Å; F304-I382 HydrophobicContact CZ-CD1 4.16Å; Y305-I382 PolarHBondContact N-O 2.9Å; I314-I382 HydrophobicContact CD1-CG2 4.49Å; A380-I382 HydrophobicContact CB-CD1 4.03Å; I382-F409 CarbonylContact C-O 3.58Å; I382-F409 WeakPolarHBondContact CA-O 3.31Å; I382-F409 HydrophobicContact CB-CB 4.42Å; I382-F409 HydrophobicContact CG1-CB 4.16Å; I382-F409 HydrophobicContact CG2-CB 4.18Å; I382-L411 HydrophobicContact CG2-CD1 3.65Å; I382-L411 HydrophobicContact CG2-CG 4.24Å
383	G	97.4	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.3	178.3	0	0	0	0	0	111.1	F409 L411 E419	G383-F409 PolarHBondContact N-O 3.04Å; G383-L411 WeakPolarHBondContact O-CA 3.32Å; G383-L411 WeakPolarHBondContact O-CB 3.46Å; G383-L411 PolarHBondContact O-N 2.7Å; G383-E419 VanDerWaalsContact C-CD 3.45Å; G383-E419 VanDerWaalsContact CA-CD 3.41Å; G383-E419 WeakPolarHBondContact CA-OE1 3.26Å
384	A	93.1	Very high	96.3	Very high	21 Å²	21	36.2 Å²	36.2	17%	0.174	23%	0.228	C	C	.	.			trans	-149.3	44	170.7	0	0	0	0	0	109.9	Y305 A310 E419	Y305-A384 PolarHBondContact O-N 3.24Å; A310-A384 HydrophobicContact CB-CB 4.05Å; A384-E419 PolarHBondContact N-OE1 2.83Å; A384-E419 VanDerWaalsContact N-OE1 3.13Å
385	A	91	Very high	96.4	Very high	24 Å²	24	34.5 Å²	34.5	20%	0.198	22%	0.215	C	C	.	.	S	Bend	trans	-104.3	-6	-173.3	0	0	0	0	0	114.2	Y305 I387 S412 E419	Y305-A385 HydrophobicContact CD1-CB 3.62Å; Y305-A385 HydrophobicContact CE1-CB 3.69Å; Y305-A385 HydrophobicContact CG-CB 4.41Å; Y305-A385 PolarHBondContact O-N 2.76Å; A385-I387 HydrophobicContact CB-CD1 4.24Å; A385-I387 HydrophobicContact CB-CG1 4.26Å; A385-I387 PolarHBondContact O-N 3.31Å; A385-S412 PolarHBondContact N-OG 2.73Å; A385-E419 PolarHBondContact N-OE1 2.99Å
386	T	88.1	Confident	96.5	Very high	88 Å²	88	31 Å²	31	54%	0.54	20%	0.197	S	C	.	.	S	Bend	trans	59.1	30.5	-171.9	64.4	0	0	0	0	114.1	S412	T386-S412 WeakPolarHBondContact CA-OG 3.46Å; T386-S412 PolarHBondContact N-OG 3.47Å
387	I	91.1	Very high	96.6	Very high	79 Å²	79	35.8 Å²	35.8	41%	0.405	21%	0.214	S	C	.	.			trans	-114.5	102.6	178.8	-59.7	174.1	0	0	0	108.3	Y305 A385 A390 K417	Y305-I387 HydrophobicContact CE1-CB 4.08Å; Y305-I387 HydrophobicContact CE1-CD1 4.06Å; Y305-I387 HydrophobicContact CE1-CG2 4.5Å; Y305-I387 WeakPolarHBondContact OH-CD1 3.37Å; A385-I387 HydrophobicContact CB-CD1 4.24Å; A385-I387 HydrophobicContact CB-CG1 4.26Å; A385-I387 PolarHBondContact O-N 3.31Å; I387-A390 HydrophobicContact CB-CB 4.44Å; I387-A390 HydrophobicContact CG2-CB 4.15Å; I387-A390 WeakPolarHBondContact O-CB 3.16Å; I387-K417 CarbonylContact C-O 3.52Å
388	G	93.8	Very high	96.6	Very high	38 Å²	38	32.6 Å²	32.6	39%	0.392	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	137.4	179.6	0	0	0	0	0	112.1	A390 K417 S418	G388-A390 VanDerWaalsContact C-N 3.3Å; G388-A390 PolarHBondContact O-N 2.95Å; G388-K417 PolarHBondContact N-O 3.45Å; G388-S418 WeakPolarHBondContact CA-O 3.39Å
389	G	96.4	Very high	96.6	Very high	44 Å²	44	32.6 Å²	32.6	45%	0.454	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	13.3	177.6	0	0	0	0	0	115.5	F391 S418 E419	G389-F391 VanDerWaalsContact C-N 3.27Å; G389-F391 PolarHBondContact O-N 2.85Å; G389-S418 PolarHBondContact N-O 3.05Å; G389-S418 VanDerWaalsContact N-O 3.12Å; G389-E419 CarbonylContact C-O 3.57Å; G389-E419 WeakPolarHBondContact CA-O 3.38Å; G389-E419 PolarHBondContact N-O 2.66Å
390	A	97.3	Very high	96.6	Very high	14 Å²	14	32 Å²	32	12%	0.116	20%	0.197	C	C	.	.			trans	-63.3	-28.8	179.2	0	0	0	0	0	114	Y305 I387 G388 T392 I395 E419	Y305-A390 HydrophobicContact CD1-CB 3.8Å; Y305-A390 HydrophobicContact CE1-CB 3.28Å; I387-A390 HydrophobicContact CB-CB 4.44Å; I387-A390 HydrophobicContact CG2-CB 4.15Å; I387-A390 WeakPolarHBondContact O-CB 3.16Å; G388-A390 VanDerWaalsContact C-N 3.3Å; G388-A390 PolarHBondContact O-N 2.95Å; A390-T392 PolarHBondContact O-N 3.07Å; A390-I395 WeakPolarHBondContact O-CD1 3.32Å; A390-E419 HydrophobicContact CB-CB 4.34Å; A390-E419 HydrophobicContact CB-CG 4.14Å; A390-E419 PolarHBondContact N-O 2.73Å
391	F	98.3	Very high	96.5	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.013	23%	0.229	C	C	.	.	S	Bend	trans	-91.3	82.9	175.9	-63.7	-8.7	0	0	0	109	Y305 L369 I381 G389 I396 I408 E419 C420	Y305-F391 HydrophobicContact CD1-CE1 4.34Å; Y305-F391 HydrophobicContact CG-CE1 4.29Å; L369-F391 HydrophobicContact CD2-CD1 4.22Å; L369-F391 HydrophobicContact CD2-CE1 4.29Å; I381-F391 HydrophobicContact CB-CZ 4.45Å; I381-F391 HydrophobicContact CD1-CD1 3.87Å; I381-F391 HydrophobicContact CD1-CE1 3.5Å; I381-F391 HydrophobicContact CD1-CE2 4.46Å; I381-F391 HydrophobicContact CD1-CZ 3.83Å; I381-F391 HydrophobicContact CG1-CE1 3.82Å; I381-F391 HydrophobicContact CG1-CE2 4.25Å; I381-F391 HydrophobicContact CG1-CZ 3.63Å; I381-F391 HydrophobicContact CG2-CD2 4.34Å; I381-F391 HydrophobicContact CG2-CE2 3.98Å; I381-F391 HydrophobicContact CG2-CZ 4.24Å; G389-F391 VanDerWaalsContact C-N 3.27Å; G389-F391 PolarHBondContact O-N 2.85Å; F391-I396 HydrophobicContact CB-CD1 4.31Å; F391-I396 HydrophobicContact CB-CG1 4.3Å; F391-I396 VanDerWaalsContact O-CD1 3.32Å; F391-I396 WeakPolarHBondContact O-CD1 3.46Å; F391-I408 HydrophobicContact CD2-CG2 3.86Å; F391-I408 HydrophobicContact CE2-CG2 4.23Å; F391-E419 HydrophobicContact CB-CB 4.29Å; F391-E419 HydrophobicContact CD1-CB 3.91Å; F391-E419 HydrophobicContact CD1-CG 4.37Å; F391-E419 HydrophobicContact CD2-CB 3.56Å; F391-E419 HydrophobicContact CD2-CG 4.5Å; F391-E419 HydrophobicContact CE1-CB 4.05Å; F391-E419 HydrophobicContact CE1-CG 4.09Å; F391-E419 HydrophobicContact CE2-CB 3.73Å; F391-E419 HydrophobicContact CE2-CG 4.24Å; F391-E419 HydrophobicContact CG-CB 3.66Å; F391-E419 HydrophobicContact CZ-CB 3.97Å; F391-E419 HydrophobicContact CZ-CG 4.02Å; F391-E419 PolarHBondContact N-O 3.37Å; F391-C420 HydrophobicContact CB-CB 3.98Å
392	T	98.2	Very high	96.5	Very high	62 Å²	62	41.3 Å²	41.3	38%	0.38	24%	0.241	S	C	.	.			trans	-65.2	164.5	-179.6	65.5	0	0	0	0	111.9	A390 G394 I395 I396	A390-T392 PolarHBondContact O-N 3.07Å; T392-G394 PolarHBondContact O-N 2.65Å; T392-I395 PolarHBondContact O-N 3.06Å; T392-I395 VanDerWaalsContact O-N 3.13Å; T392-I395 PolarHBondContact OG1-N 2.99Å; T392-I396 WeakPolarHBondContact O-CG1 3.4Å; T392-I396 PolarHBondContact O-N 2.86Å
393	E	98.4	Very high	96.5	Very high	83 Å²	83	42 Å²	42	39%	0.388	25%	0.245	S	C	.	.	H	α-helix	trans	-52.5	-43.4	172	176.6	172.7	-174.5	0	0	111.9	I395 I396 R397 Y428	E393-I395 PolarHBondContact O-N 2.85Å; E393-I396 PolarHBondContact O-N 3.32Å; E393-R397 HydrophobicContact CG-CG 4.19Å; E393-R397 WeakPolarHBondContact O-CB 3.31Å; E393-R397 WeakPolarHBondContact O-CG 3.24Å; E393-R397 PolarHBondContact O-N 2.85Å; E393-R397 IonicContact OE1-CZ 3.9Å; E393-R397 IonicContact OE1-NE 2.71Å; E393-R397 PolarHBondContact OE1-NE 2.73Å; E393-R397 IonicContact OE1-NH2 3.08Å; E393-R397 PolarHBondContact OE1-NH2 3.47Å; E393-Y428 HydrophobicContact CB-CD1 4.32Å; E393-Y428 HydrophobicContact CB-CD2 3.88Å; E393-Y428 HydrophobicContact CB-CE1 4.31Å; E393-Y428 HydrophobicContact CB-CE2 3.86Å; E393-Y428 HydrophobicContact CB-CG 4.12Å; E393-Y428 HydrophobicContact CG-CD1 3.77Å; E393-Y428 HydrophobicContact CG-CD2 4.13Å; E393-Y428 HydrophobicContact CG-CE1 4.04Å; E393-Y428 HydrophobicContact CG-CE2 4.37Å; E393-Y428 HydrophobicContact CG-CG 3.83Å
394	G	98.3	Very high	96.4	Very high	31 Å²	31	48.1 Å²	48.1	32%	0.32	28%	0.278	S	S	.	.	H	α-helix	trans	-57.7	-46.4	177.2	0	0	0	0	0	112.4	E370 T392 K398	E370-G394 WeakPolarHBondContact OE1-CA 3.38Å; T392-G394 PolarHBondContact O-N 2.65Å; G394-K398 VanDerWaalsContact O-CB 3.23Å; G394-K398 WeakPolarHBondContact O-CB 3.26Å; G394-K398 PolarHBondContact O-N 2.88Å
395	I	98.5	Very high	96.7	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-47.4	176.6	-70.5	167.5	0	0	0	111.4	L369 E370 V373 I381 A390 T392 E393 K398 M399	L369-I395 HydrophobicContact CB-CD1 4.28Å; L369-I395 HydrophobicContact CD2-CD1 3.72Å; L369-I395 HydrophobicContact CG-CD1 3.83Å; E370-I395 HydrophobicContact CB-CD1 4.46Å; E370-I395 HydrophobicContact CB-CG1 4.08Å; E370-I395 HydrophobicContact CG-CG1 4.01Å; V373-I395 HydrophobicContact CG2-CG2 4.15Å; I381-I395 HydrophobicContact CD1-CG2 3.99Å; A390-I395 WeakPolarHBondContact O-CD1 3.32Å; T392-I395 PolarHBondContact O-N 3.06Å; T392-I395 VanDerWaalsContact O-N 3.13Å; T392-I395 PolarHBondContact OG1-N 2.99Å; E393-I395 PolarHBondContact O-N 2.85Å; I395-K398 WeakPolarHBondContact O-CB 3.16Å; I395-K398 PolarHBondContact O-N 3.21Å; I395-M399 WeakPolarHBondContact O-CG 3.37Å; I395-M399 PolarHBondContact O-N 3.33Å
396	I	98.8	Very high	97	Very high	2 Å²	2	49 Å²	49	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-66.6	-44.5	-176.7	-65	164.9	0	0	0	110.6	F391 T392 E393 K398 M399 A400 I408 C420 Y428	F391-I396 HydrophobicContact CB-CD1 4.31Å; F391-I396 HydrophobicContact CB-CG1 4.3Å; F391-I396 VanDerWaalsContact O-CD1 3.32Å; F391-I396 WeakPolarHBondContact O-CD1 3.46Å; T392-I396 WeakPolarHBondContact O-CG1 3.4Å; T392-I396 PolarHBondContact O-N 2.86Å; E393-I396 PolarHBondContact O-N 3.32Å; I396-K398 VanDerWaalsContact C-N 3.28Å; I396-K398 PolarHBondContact O-N 2.88Å; I396-M399 WeakPolarHBondContact O-CB 3.37Å; I396-M399 PolarHBondContact O-N 2.96Å; I396-A400 WeakPolarHBondContact O-CB 3.38Å; I396-A400 PolarHBondContact O-N 3.47Å; I396-I408 HydrophobicContact CB-CD1 4.46Å; I396-I408 HydrophobicContact CG1-CD1 4.25Å; I396-I408 HydrophobicContact CG2-CD1 3.76Å; I396-C420 HydrophobicContact CD1-CB 4Å; I396-Y428 HydrophobicContact CD1-CD2 3.86Å
397	R	98.6	Very high	97.5	Very high	104 Å²	104	44.8 Å²	44.8	39%	0.392	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-39	173.7	-73.2	-173.6	-175.6	-68.1	-0	111.4	E393 A400 Q401 Y428	E393-R397 HydrophobicContact CG-CG 4.19Å; E393-R397 WeakPolarHBondContact O-CB 3.31Å; E393-R397 WeakPolarHBondContact O-CG 3.24Å; E393-R397 PolarHBondContact O-N 2.85Å; E393-R397 IonicContact OE1-CZ 3.9Å; E393-R397 IonicContact OE1-NE 2.71Å; E393-R397 PolarHBondContact OE1-NE 2.73Å; E393-R397 IonicContact OE1-NH2 3.08Å; E393-R397 PolarHBondContact OE1-NH2 3.47Å; R397-A400 CarbonylContact O-C 3.47Å; R397-A400 PolarHBondContact O-N 3.39Å; R397-Q401 WeakPolarHBondContact O-CB 3.38Å; R397-Q401 PolarHBondContact O-N 3.37Å; R397-Y428 VanDerWaalsContact CG-O 3.25Å; R397-Y428 WeakPolarHBondContact CG-O 3.35Å
398	K	98.2	Very high	97.9	Very high	67 Å²	67	41.1 Å²	41.1	29%	0.291	23%	0.227	S	C	.	.	H	α-helix	trans	-63.9	-45.7	176.1	-166.3	65.2	173.3	-179.3	0	111.7	V373 G394 I395 I396 A400 Q401 M402	V373-K398 HydrophobicContact CG1-CB 4.37Å; V373-K398 HydrophobicContact CG1-CG 4.13Å; G394-K398 VanDerWaalsContact O-CB 3.23Å; G394-K398 WeakPolarHBondContact O-CB 3.26Å; G394-K398 PolarHBondContact O-N 2.88Å; I395-K398 WeakPolarHBondContact O-CB 3.16Å; I395-K398 PolarHBondContact O-N 3.21Å; I396-K398 VanDerWaalsContact C-N 3.28Å; I396-K398 PolarHBondContact O-N 2.88Å; K398-A400 VanDerWaalsContact C-N 3.28Å; K398-A400 PolarHBondContact O-N 3.32Å; K398-Q401 WeakPolarHBondContact O-CB 3.43Å; K398-Q401 PolarHBondContact O-N 3.13Å; K398-Q401 VanDerWaalsContact O-N 3.16Å; K398-M402 HydrophobicContact CG-CE 4.03Å; K398-M402 HydrophobicContact CG-SD 4.35Å; K398-M402 WeakPolarHBondContact O-CE 3.44Å; K398-M402 WeakPolarHBondContact O-CG 3.45Å; K398-M402 PolarHBondContact O-N 2.92Å; K398-M402 VanDerWaalsContact O-N 3.09Å
399	M	98.5	Very high	98.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.2	-44.5	173.4	-75.4	-65.2	-69.5	0	0	111.4	V373 P378 I381 I395 I396 Q401 M402 N403 P406	V373-M399 HydrophobicContact CG1-CG 4.32Å; V373-M399 HydrophobicContact CG1-SD 4.1Å; P378-M399 HydrophobicContact CG-CE 4.31Å; P378-M399 HydrophobicContact CG-SD 3.71Å; I381-M399 HydrophobicContact CB-CE 4.03Å; I381-M399 HydrophobicContact CB-SD 4.4Å; I381-M399 HydrophobicContact CG2-CE 4.03Å; I381-M399 HydrophobicContact CG2-CG 4.37Å; I395-M399 WeakPolarHBondContact O-CG 3.37Å; I395-M399 PolarHBondContact O-N 3.33Å; I396-M399 WeakPolarHBondContact O-CB 3.37Å; I396-M399 PolarHBondContact O-N 2.96Å; M399-Q401 VanDerWaalsContact C-N 3.34Å; M399-M402 PolarHBondContact O-N 2.74Å; M399-M402 HydrophobicContact SD-CE 4.13Å; M399-N403 WeakPolarHBondContact O-CB 3.49Å; M399-N403 PolarHBondContact O-N 3.06Å; M399-N403 PolarHBondContact O-ND2 2.76Å; M399-P406 HydrophobicContact CB-CB 3.83Å; M399-P406 HydrophobicContact CE-CB 4.26Å
400	A	98.3	Very high	98.2	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.033	19%	0.187	C	C	.	.	H	α-helix	trans	-72.6	-22.8	179.1	0	0	0	0	0	113.5	I396 R397 K398 N403 P406 R432	I396-A400 WeakPolarHBondContact O-CB 3.38Å; I396-A400 PolarHBondContact O-N 3.47Å; R397-A400 CarbonylContact O-C 3.47Å; R397-A400 PolarHBondContact O-N 3.39Å; K398-A400 VanDerWaalsContact C-N 3.28Å; K398-A400 PolarHBondContact O-N 3.32Å; A400-N403 VanDerWaalsContact O-O 3.05Å; A400-P406 HydrophobicContact CB-CG 4.08Å; A400-R432 VanDerWaalsContact O-CZ 3.3Å; A400-R432 PolarHBondContact O-NH1 3.05Å; A400-R432 PolarHBondContact O-NH2 2.95Å
401	Q	97.9	Very high	98.1	Very high	143 Å²	143	37.5 Å²	37.5	67%	0.668	19%	0.186	S	C	*	.	H	α-helix	trans	-74	-38.6	171.7	-172.8	-174.4	24.5	0	0	111.3	R397 K398 M399	R397-Q401 WeakPolarHBondContact O-CB 3.38Å; R397-Q401 PolarHBondContact O-N 3.37Å; K398-Q401 WeakPolarHBondContact O-CB 3.43Å; K398-Q401 PolarHBondContact O-N 3.13Å; K398-Q401 VanDerWaalsContact O-N 3.16Å; M399-Q401 VanDerWaalsContact C-N 3.34Å
402	M	97.3	Very high	97.7	Very high	54 Å²	54	37.6 Å²	37.6	27%	0.266	19%	0.187	S	C	.	.	H	α-helix	trans	-84	-24.3	-175.3	-63.9	-178.3	-58.5	0	0	113.3	V373 K377 K398 M399	V373-M402 HydrophobicContact CG1-CE 3.73Å; K377-M402 HydrophobicContact CB-SD 3.78Å; K377-M402 HydrophobicContact CD-SD 4.45Å; K377-M402 HydrophobicContact CG-SD 3.68Å; K398-M402 HydrophobicContact CG-CE 4.03Å; K398-M402 HydrophobicContact CG-SD 4.35Å; K398-M402 WeakPolarHBondContact O-CE 3.44Å; K398-M402 WeakPolarHBondContact O-CG 3.45Å; K398-M402 PolarHBondContact O-N 2.92Å; K398-M402 VanDerWaalsContact O-N 3.09Å; M399-M402 PolarHBondContact O-N 2.74Å; M399-M402 HydrophobicContact SD-CE 4.13Å
403	N	98.1	Very high	96.9	Very high	16 Å²	16	37.2 Å²	37.2	9%	0.086	18%	0.183	C	C	.	.			trans	-130	134.5	-173.8	-55.1	-76.8	0	0	0	110	P378 T379 M399 A400 R405 P406 R432	P378-N403 PolarHBondContact O-ND2 2.86Å; T379-N403 WeakPolarHBondContact CA-OD1 3.49Å; T379-N403 WeakPolarHBondContact CG2-OD1 3.46Å; M399-N403 WeakPolarHBondContact O-CB 3.49Å; M399-N403 PolarHBondContact O-N 3.06Å; M399-N403 PolarHBondContact O-ND2 2.76Å; A400-N403 VanDerWaalsContact O-O 3.05Å; N403-R405 VanDerWaalsContact C-N 3.3Å; N403-R405 PolarHBondContact O-N 3.14Å; N403-P406 HydrophobicContact CB-CB 4.19Å; N403-R432 PolarHBondContact O-NH1 3.39Å; N403-R432 VanDerWaalsContact O-NH1 3.11Å
404	D	97.2	Very high	96.1	Very high	129 Å²	129	36.3 Å²	36.3	69%	0.69	19%	0.185	S	C	*	.	S	Bend	trans	-56.1	-48.3	172.9	-179.8	51.9	0	0	0	110.9	R432	D404-R432 WeakPolarHBondContact O-CB 3.4Å; D404-R432 WeakPolarHBondContact O-CD 3.37Å; D404-R432 PolarHBondContact O-NH1 2.9Å
405	R	97.6	Very high	95.4	Very high	62 Å²	62	37.9 Å²	37.9	23%	0.234	19%	0.188	C	C	.	.	S	Bend	trans	-125.5	90.1	174.3	-61.2	-158.8	68	-173.3	3.2	111	M292 T293 N403 R432 I434	M292-R405 PolarHBondContact O-NH1 3.32Å; T293-R405 HydrophobicContact CG2-CB 4.29Å; N403-R405 VanDerWaalsContact C-N 3.3Å; N403-R405 PolarHBondContact O-N 3.14Å; R405-R432 PolarHBondContact NE-O 2.78Å; R405-I434 HydrophobicContact CB-CD1 3.98Å; R405-I434 HydrophobicContact CB-CG1 4.37Å
406	P	98.5	Very high	94.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.			trans	-69.1	136.2	179.7	28.6	-34	0	0	0	110.9	M399 A400 N403 I408 A433 I434	M399-P406 HydrophobicContact CB-CB 3.83Å; M399-P406 HydrophobicContact CE-CB 4.26Å; A400-P406 HydrophobicContact CB-CG 4.08Å; N403-P406 HydrophobicContact CB-CB 4.19Å; P406-I408 HydrophobicContact CB-CG1 4.38Å; P406-I408 HydrophobicContact CG-CD1 4.47Å; P406-A433 HydrophobicContact CG-CB 4.25Å; P406-A433 CarbonylContact O-C 3.54Å; P406-A433 WeakPolarHBondContact O-CA 3.5Å; P406-I434 PolarHBondContact O-N 2.74Å
407	I	98.7	Very high	94.3	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.8	173.1	-56.3	169.7	0	0	0	108.1	L286 A289 T293 T379 A380 I381 F409 I434	L286-I407 HydrophobicContact CD2-CG2 4.08Å; A289-I407 HydrophobicContact CB-CD1 3.72Å; A289-I407 HydrophobicContact CB-CG1 3.97Å; A289-I407 HydrophobicContact CB-CG2 4.09Å; T293-I407 HydrophobicContact CG2-CD1 4Å; T293-I407 HydrophobicContact CG2-CG1 4.05Å; T379-I407 PolarHBondContact O-N 3.22Å; T379-I407 VanDerWaalsContact O-N 3.08Å; A380-I407 WeakPolarHBondContact CA-O 3.48Å; A380-I407 HydrophobicContact CB-CB 3.7Å; A380-I407 HydrophobicContact CB-CD1 4.21Å; A380-I407 HydrophobicContact CB-CG1 4.48Å; A380-I407 HydrophobicContact CB-CG2 4.02Å; I381-I407 PolarHBondContact N-O 3.05Å; I407-F409 HydrophobicContact CG2-CD1 3.83Å; I407-F409 HydrophobicContact CG2-CE1 3.68Å; I407-F409 HydrophobicContact CG2-CZ 4.29Å; I407-I434 HydrophobicContact CG1-CB 4.36Å; I407-I434 HydrophobicContact CG1-CD1 4.14Å
408	I	98.7	Very high	94.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	103.3	-175.3	-54.5	179.9	0	0	0	108.9	I381 F391 I396 P406 A433 I434 F435 A436	I381-I408 HydrophobicContact CG2-CB 4.3Å; I381-I408 HydrophobicContact CG2-CG1 4.13Å; I381-I408 HydrophobicContact CG2-CG2 4.09Å; F391-I408 HydrophobicContact CD2-CG2 3.86Å; F391-I408 HydrophobicContact CE2-CG2 4.23Å; I396-I408 HydrophobicContact CB-CD1 4.46Å; I396-I408 HydrophobicContact CG1-CD1 4.25Å; I396-I408 HydrophobicContact CG2-CD1 3.76Å; P406-I408 HydrophobicContact CB-CG1 4.38Å; P406-I408 HydrophobicContact CG-CD1 4.47Å; I408-A433 HydrophobicContact CD1-CB 3.87Å; I408-A433 HydrophobicContact CG1-CB 4.37Å; I408-I434 PolarHBondContact N-O 3.14Å; I408-F435 HydrophobicContact CB-CD2 4.33Å; I408-F435 HydrophobicContact CG2-CD2 4.18Å; I408-F435 WeakPolarHBondContact O-CA 3.35Å; I408-F435 VanDerWaalsContact O-CD2 3.23Å; I408-F435 WeakPolarHBondContact O-CD2 3.21Å; I408-A436 PolarHBondContact O-N 3.04Å
409	F	98.5	Very high	94.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	117	-180	-78.9	16.3	0	0	0	110	G285 L286 I381 I382 G383 I407 L411 A436 V503	G285-F409 VanDerWaalsContact C-CZ 3.48Å; L286-F409 HydrophobicContact CD2-CD2 4.08Å; L286-F409 HydrophobicContact CD2-CE2 3.79Å; L286-F409 HydrophobicContact CD2-CZ 4.2Å; L286-F409 HydrophobicContact CG-CD2 4.45Å; L286-F409 HydrophobicContact CG-CE2 3.95Å; I381-F409 PolarHBondContact O-N 3.06Å; I382-F409 CarbonylContact C-O 3.58Å; I382-F409 WeakPolarHBondContact CA-O 3.31Å; I382-F409 HydrophobicContact CB-CB 4.42Å; I382-F409 HydrophobicContact CG1-CB 4.16Å; I382-F409 HydrophobicContact CG2-CB 4.18Å; G383-F409 PolarHBondContact N-O 3.04Å; I407-F409 HydrophobicContact CG2-CD1 3.83Å; I407-F409 HydrophobicContact CG2-CE1 3.68Å; I407-F409 HydrophobicContact CG2-CZ 4.29Å; F409-L411 HydrophobicContact CB-CD2 3.99Å; F409-L411 HydrophobicContact CB-CG 4.11Å; F409-L411 HydrophobicContact CD2-CD2 4.33Å; F409-L411 HydrophobicContact CG-CD2 4.43Å; F409-A436 CarbonylContact C-O 3.51Å; F409-A436 VanDerWaalsContact CA-O 3.28Å; F409-A436 WeakPolarHBondContact CA-O 3.45Å; F409-A436 HydrophobicContact CD1-CB 3.61Å; F409-A436 HydrophobicContact CD2-CB 4.45Å; F409-A436 HydrophobicContact CE1-CB 3.51Å; F409-A436 HydrophobicContact CE2-CB 4.37Å; F409-A436 HydrophobicContact CG-CB 4.1Å; F409-A436 HydrophobicContact CZ-CB 3.91Å; F409-V503 HydrophobicContact CE1-CG2 4.38Å; F409-V503 HydrophobicContact CZ-CG2 4.13Å
410	A	97.6	Very high	94.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	81	178.5	0	0	0	0	0	110.1	S418 E419 F435 A436 S437 G438	A410-S418 WeakPolarHBondContact CB-OG 3.33Å; A410-E419 VanDerWaalsContact C-OE2 3.29Å; A410-E419 VanDerWaalsContact CA-OE2 3.27Å; A410-E419 WeakPolarHBondContact CA-OE2 3.28Å; A410-E419 HydrophobicContact CB-CB 4.12Å; A410-F435 HydrophobicContact CB-CE2 3.94Å; A410-F435 HydrophobicContact CB-CZ 4.13Å; A410-A436 PolarHBondContact N-O 2.99Å; A410-S437 CarbonylContact O-C 3.53Å; A410-S437 WeakPolarHBondContact O-CA 3.43Å; A410-S437 WeakPolarHBondContact O-CB 3.2Å; A410-G438 PolarHBondContact O-N 2.88Å
411	L	95.2	Very high	94.1	Very high	20 Å²	20	42.1 Å²	42.1	11%	0.105	22%	0.223	C	C	.	.			trans	-88.3	-4.6	-165.2	-50.8	-178.7	0	0	0	113.8	A282 I314 I382 G383 F409 E419	A282-L411 HydrophobicContact CB-CD1 4.04Å; I314-L411 HydrophobicContact CD1-CD1 3.79Å; I382-L411 HydrophobicContact CG2-CD1 3.65Å; I382-L411 HydrophobicContact CG2-CG 4.24Å; G383-L411 WeakPolarHBondContact O-CA 3.32Å; G383-L411 WeakPolarHBondContact O-CB 3.46Å; G383-L411 PolarHBondContact O-N 2.7Å; F409-L411 HydrophobicContact CB-CD2 3.99Å; F409-L411 HydrophobicContact CB-CG 4.11Å; F409-L411 HydrophobicContact CD2-CD2 4.33Å; F409-L411 HydrophobicContact CG-CD2 4.43Å; L411-E419 PolarHBondContact N-OE2 2.93Å
412	S	90	Very high	94	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.035	19%	0.192	C	C	.	.			trans	-67.9	135.8	178.8	-73.6	0	0	0	0	112.6	A385 T386 K417 E419	A385-S412 PolarHBondContact N-OG 2.73Å; T386-S412 WeakPolarHBondContact CA-OG 3.46Å; T386-S412 PolarHBondContact N-OG 3.47Å; S412-K417 WeakPolarHBondContact CB-O 3.35Å; S412-E419 WeakPolarHBondContact CB-OE1 3.48Å; S412-E419 WeakPolarHBondContact CB-OE2 3.47Å; S412-E419 PolarHBondContact N-OE2 3.19Å; S412-E419 PolarHBondContact OG-OE1 3.12Å
413	N	83	Confident	94.1	Very high	55 Å²	55	39 Å²	39	29%	0.294	21%	0.208	S	C	.	.	S	Bend	trans	-112.5	154	177.2	-67.9	-46.9	0	0	0	111.3	L162 G438 S439	L162-N413 HydrophobicContact CD2-CB 4.43Å; N413-G438 WeakPolarHBondContact OD1-CA 3.39Å; N413-G438 PolarHBondContact OD1-O 2.84Å; N413-S439 PolarHBondContact OD1-N 3.07Å; N413-S439 PolarHBondContact OD1-OG 3.38Å
414	P	81	Confident	94.1	Very high	64 Å²	64	41.2 Å²	41.2	42%	0.416	22%	0.218	S	C	.	.	S	Bend	cis	-72.8	-173.1	-14.4	32.2	-36.5	0	0	0	112	V416 K417 S418 S439	P414-V416 HydrophobicContact CG-CG2 3.9Å; P414-V416 PolarHBondContact O-N 2.95Å; P414-K417 WeakPolarHBondContact O-CA 3.4Å; P414-K417 WeakPolarHBondContact O-CB 3.22Å; P414-K417 PolarHBondContact O-N 3.07Å; P414-S418 PolarHBondContact O-N 2.84Å; P414-S439 VanDerWaalsContact C-OG 3.25Å; P414-S439 WeakPolarHBondContact CA-OG 2.99Å
415	T	82.4	Confident	94.1	Very high	63 Å²	63	35.1 Å²	35.1	39%	0.387	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-47.5	-38.9	-176.5	-48.7	0	0	0	0	114.2	K417 S418 S439 F441	T415-K417 PolarHBondContact O-N 3.28Å; T415-K417 VanDerWaalsContact O-N 3.16Å; T415-S418 WeakPolarHBondContact O-CB 3.47Å; T415-S418 PolarHBondContact O-N 3.2Å; T415-S439 PolarHBondContact N-OG 3.13Å; T415-S439 VanDerWaalsContact N-OG 3.11Å; T415-S439 WeakPolarHBondContact OG1-CB 3.33Å; T415-F441 HydrophobicContact CG2-CD1 4.22Å; T415-F441 HydrophobicContact CG2-CE1 3.43Å; T415-F441 VanDerWaalsContact CG2-CE1 3.43Å; T415-F441 HydrophobicContact CG2-CZ 3.64Å
416	V	85.1	Confident	94.2	Very high	121 Å²	121	32.2 Å²	32.2	73%	0.733	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-66.2	-14.1	177.8	-63.3	0	0	0	0	114.2	P414	P414-V416 HydrophobicContact CG-CG2 3.9Å; P414-V416 PolarHBondContact O-N 2.95Å
417	K	90.8	Very high	94.1	Very high	97 Å²	97	34.5 Å²	34.5	42%	0.422	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-102.9	-2.3	174.9	-61.1	-55.2	-167.2	171.1	0	113.1	I387 G388 S412 P414 T415 E419	I387-K417 CarbonylContact C-O 3.52Å; G388-K417 PolarHBondContact N-O 3.45Å; S412-K417 WeakPolarHBondContact CB-O 3.35Å; P414-K417 WeakPolarHBondContact O-CA 3.4Å; P414-K417 WeakPolarHBondContact O-CB 3.22Å; P414-K417 PolarHBondContact O-N 3.07Å; T415-K417 PolarHBondContact O-N 3.28Å; T415-K417 VanDerWaalsContact O-N 3.16Å; K417-E419 PolarHBondContact O-N 2.95Å
418	S	93.8	Very high	94.1	Very high	7 Å²	7	37 Å²	37	5%	0.049	20%	0.198	C	C	.	.			trans	-59.8	134.1	176	-168.5	0	0	0	0	110.5	G388 G389 A410 P414 T415 C420	G388-S418 WeakPolarHBondContact CA-O 3.39Å; G389-S418 PolarHBondContact N-O 3.05Å; G389-S418 VanDerWaalsContact N-O 3.12Å; A410-S418 WeakPolarHBondContact CB-OG 3.33Å; P414-S418 PolarHBondContact O-N 2.84Å; T415-S418 WeakPolarHBondContact O-CB 3.47Å; T415-S418 PolarHBondContact O-N 3.2Å; S418-C420 PolarHBondContact O-N 3.39Å; S418-C420 PolarHBondContact OG-O 3Å
419	E	97.9	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-61.1	-30.9	-176.8	-71.8	78	-175.5	0	0	112.7	Y305 G383 A384 A385 G389 A390 F391 A410 L411 S412 K417	Y305-E419 HydrophobicContact CD1-CG 4.29Å; G383-E419 VanDerWaalsContact C-CD 3.45Å; G383-E419 VanDerWaalsContact CA-CD 3.41Å; G383-E419 WeakPolarHBondContact CA-OE1 3.26Å; A384-E419 PolarHBondContact N-OE1 2.83Å; A384-E419 VanDerWaalsContact N-OE1 3.13Å; A385-E419 PolarHBondContact N-OE1 2.99Å; G389-E419 CarbonylContact C-O 3.57Å; G389-E419 WeakPolarHBondContact CA-O 3.38Å; G389-E419 PolarHBondContact N-O 2.66Å; A390-E419 HydrophobicContact CB-CB 4.34Å; A390-E419 HydrophobicContact CB-CG 4.14Å; A390-E419 PolarHBondContact N-O 2.73Å; F391-E419 HydrophobicContact CB-CB 4.29Å; F391-E419 HydrophobicContact CD1-CB 3.91Å; F391-E419 HydrophobicContact CD1-CG 4.37Å; F391-E419 HydrophobicContact CD2-CB 3.56Å; F391-E419 HydrophobicContact CD2-CG 4.5Å; F391-E419 HydrophobicContact CE1-CB 4.05Å; F391-E419 HydrophobicContact CE1-CG 4.09Å; F391-E419 HydrophobicContact CE2-CB 3.73Å; F391-E419 HydrophobicContact CE2-CG 4.24Å; F391-E419 HydrophobicContact CG-CB 3.66Å; F391-E419 HydrophobicContact CZ-CB 3.97Å; F391-E419 HydrophobicContact CZ-CG 4.02Å; F391-E419 PolarHBondContact N-O 3.37Å; A410-E419 VanDerWaalsContact C-OE2 3.29Å; A410-E419 VanDerWaalsContact CA-OE2 3.27Å; A410-E419 WeakPolarHBondContact CA-OE2 3.28Å; A410-E419 HydrophobicContact CB-CB 4.12Å; L411-E419 PolarHBondContact N-OE2 2.93Å; S412-E419 WeakPolarHBondContact CB-OE1 3.48Å; S412-E419 WeakPolarHBondContact CB-OE2 3.47Å; S412-E419 PolarHBondContact N-OE2 3.19Å; S412-E419 PolarHBondContact OG-OE1 3.12Å; K417-E419 PolarHBondContact O-N 2.95Å
420	C	98.1	Very high	94.1	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.014	22%	0.221	C	C	.	.	S	Bend	trans	-152.7	170.9	162.6	64.3	0	0	0	0	109.8	F391 I396 S418 Q424	F391-C420 HydrophobicContact CB-CB 3.98Å; I396-C420 HydrophobicContact CD1-CB 4Å; S418-C420 PolarHBondContact O-N 3.39Å; S418-C420 PolarHBondContact OG-O 3Å; C420-Q424 HydrophobicContact CB-CB 4.29Å
421	T	97.8	Very high	94	Very high	45 Å²	45	42 Å²	42	28%	0.276	23%	0.227	S	C	.	.			trans	-85.4	163.2	169.6	72.3	0	0	0	0	111.7	E423 Q424 A425 F441	T421-E423 VanDerWaalsContact C-N 3.3Å; T421-E423 PolarHBondContact O-N 3.24Å; T421-Q424 PolarHBondContact O-N 3.22Å; T421-Q424 WeakPolarHBondContact OG1-CB 3.32Å; T421-Q424 VanDerWaalsContact OG1-CG 3.26Å; T421-Q424 WeakPolarHBondContact OG1-CG 3.38Å; T421-Q424 PolarHBondContact OG1-N 2.86Å; T421-Q424 VanDerWaalsContact OG1-N 3.08Å; T421-A425 PolarHBondContact O-N 3.3Å; T421-F441 HydrophobicContact CG2-CE1 3.82Å; T421-F441 HydrophobicContact CG2-CZ 4.26Å
422	A	97.6	Very high	94.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-43	171.1	0	0	0	0	0	111.7	Q424 A425 Y426 F435 F441 V444 P453	A422-Q424 PolarHBondContact O-N 3.29Å; A422-A425 PolarHBondContact O-N 3.13Å; A422-Y426 HydrophobicContact CB-CD2 4.43Å; A422-Y426 HydrophobicContact CB-CE2 4.19Å; A422-Y426 WeakPolarHBondContact O-CD2 3.37Å; A422-Y426 PolarHBondContact O-N 3.04Å; A422-F435 HydrophobicContact CB-CD1 3.81Å; A422-F435 HydrophobicContact CB-CE1 3.57Å; A422-F435 HydrophobicContact CB-CZ 4.3Å; A422-F441 HydrophobicContact CB-CB 3.81Å; A422-F441 HydrophobicContact CB-CD2 4.29Å; A422-F441 HydrophobicContact CB-CG 4.01Å; A422-V444 HydrophobicContact CB-CG2 3.96Å; A422-P453 HydrophobicContact CB-CB 3.73Å; A422-P453 HydrophobicContact CB-CG 3.68Å
423	E	97.8	Very high	94.5	Very high	130 Å²	130	44.2 Å²	44.2	61%	0.607	23%	0.234	S	C	*	.	H	α-helix	trans	-60.7	-43.4	178.6	-174.5	172.8	-158.7	0	0	112	T421 T427 V444	T421-E423 VanDerWaalsContact C-N 3.3Å; T421-E423 PolarHBondContact O-N 3.24Å; E423-T427 WeakPolarHBondContact O-CB 3.23Å; E423-T427 PolarHBondContact O-N 3.06Å; E423-T427 PolarHBondContact O-OG1 2.92Å; E423-V444 HydrophobicContact CB-CG2 4.31Å
424	Q	98.2	Very high	95.3	Very high	63 Å²	63	41.6 Å²	41.6	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-47.4	174	-74.1	172.2	-25.1	0	0	111.4	C420 T421 A422 Y426 T427 Y428	C420-Q424 HydrophobicContact CB-CB 4.29Å; T421-Q424 PolarHBondContact O-N 3.22Å; T421-Q424 WeakPolarHBondContact OG1-CB 3.32Å; T421-Q424 VanDerWaalsContact OG1-CG 3.26Å; T421-Q424 WeakPolarHBondContact OG1-CG 3.38Å; T421-Q424 PolarHBondContact OG1-N 2.86Å; T421-Q424 VanDerWaalsContact OG1-N 3.08Å; A422-Q424 PolarHBondContact O-N 3.29Å; Q424-Y426 PolarHBondContact O-N 3.19Å; Q424-T427 PolarHBondContact O-N 3.19Å; Q424-Y428 HydrophobicContact CB-CD2 3.89Å; Q424-Y428 HydrophobicContact CB-CE2 3.56Å; Q424-Y428 HydrophobicContact CG-CD2 4.45Å; Q424-Y428 HydrophobicContact CG-CE2 3.62Å; Q424-Y428 VanDerWaalsContact O-CB 3.3Å; Q424-Y428 WeakPolarHBondContact O-CB 3.5Å; Q424-Y428 WeakPolarHBondContact O-CD2 3.5Å; Q424-Y428 PolarHBondContact O-N 2.83Å
425	A	98.5	Very high	96.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.3	-46.4	-179.9	0	0	0	0	0	112.1	T421 A422 S429 F435	T421-A425 PolarHBondContact O-N 3.3Å; A422-A425 PolarHBondContact O-N 3.13Å; A425-S429 VanDerWaalsContact O-CB 3.24Å; A425-S429 WeakPolarHBondContact O-CB 3.4Å; A425-S429 PolarHBondContact O-N 3.18Å; A425-S429 PolarHBondContact O-OG 2.91Å; A425-F435 HydrophobicContact CB-CB 4.21Å; A425-F435 HydrophobicContact CB-CD2 3.32Å; A425-F435 HydrophobicContact CB-CE2 3.86Å; A425-F435 HydrophobicContact CB-CG 3.88Å
426	Y	98.3	Very high	96.8	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-72	-45.2	178.7	-65.1	-56.4	0	0	0	112.1	A422 Q424 S429 D430 G431 A433 F435 V444 F451 P453	A422-Y426 HydrophobicContact CB-CD2 4.43Å; A422-Y426 HydrophobicContact CB-CE2 4.19Å; A422-Y426 WeakPolarHBondContact O-CD2 3.37Å; A422-Y426 PolarHBondContact O-N 3.04Å; Q424-Y426 PolarHBondContact O-N 3.19Å; Y426-S429 PolarHBondContact O-N 3.06Å; Y426-S429 PolarHBondContact O-OG 2.89Å; Y426-D430 PolarHBondContact O-N 3.15Å; Y426-G431 PolarHBondContact O-N 3.32Å; Y426-A433 WeakPolarHBondContact CE1-O 3.18Å; Y426-F435 HydrophobicContact CE1-CB 4.14Å; Y426-F435 HydrophobicContact CE2-CB 4.49Å; Y426-V444 HydrophobicContact CD2-CB 3.81Å; Y426-V444 HydrophobicContact CD2-CG1 4Å; Y426-V444 HydrophobicContact CD2-CG2 3.95Å; Y426-V444 HydrophobicContact CE2-CB 4.31Å; Y426-V444 HydrophobicContact CE2-CG2 4.31Å; Y426-F451 HydrophobicContact CD1-CD1 4Å; Y426-F451 HydrophobicContact CD1-CD2 4.41Å; Y426-F451 HydrophobicContact CD1-CE1 4.25Å; Y426-F451 HydrophobicContact CD1-CG 4.07Å; Y426-F451 HydrophobicContact CD2-CB 4.03Å; Y426-F451 HydrophobicContact CD2-CG 4.3Å; Y426-F451 HydrophobicContact CE1-CB 4.11Å; Y426-F451 AromaticContact CE1-CD1 3.59Å; Y426-F451 HydrophobicContact CE1-CD1 3.59Å; Y426-F451 HydrophobicContact CE1-CE1 4.12Å; Y426-F451 AromaticContact CE1-CG 3.88Å; Y426-F451 HydrophobicContact CE1-CG 3.88Å; Y426-F451 HydrophobicContact CE2-CB 3.54Å; Y426-F451 HydrophobicContact CE2-CG 4.12Å; Y426-F451 HydrophobicContact CG-CD2 4.39Å; Y426-F451 HydrophobicContact CG-CG 4.29Å; Y426-F451 AromaticContact CZ-CD1 3.91Å; Y426-F451 AromaticContact CZ-CG 3.91Å; Y426-P453 HydrophobicContact CE2-CB 4.36Å
427	T	98	Very high	97.3	Very high	49 Å²	49	29.9 Å²	29.9	30%	0.301	15%	0.147	S	C	.	.	H	α-helix	trans	-63.2	-48	-178.2	-59	0	0	0	0	111.9	E423 Q424 S429 D430 F446	E423-T427 WeakPolarHBondContact O-CB 3.23Å; E423-T427 PolarHBondContact O-N 3.06Å; E423-T427 PolarHBondContact O-OG1 2.92Å; Q424-T427 PolarHBondContact O-N 3.19Å; T427-S429 PolarHBondContact O-N 3.12Å; T427-D430 PolarHBondContact O-N 3.22Å; T427-F446 HydrophobicContact CG2-CE2 4.26Å
428	Y	98.5	Very high	97.3	Very high	53 Å²	53	25.4 Å²	25.4	21%	0.208	13%	0.129	C	C	.	.	H	α-helix	trans	-77.4	-7.8	-176.5	-54	-32.9	0	0	0	113.5	E393 I396 R397 Q424	E393-Y428 HydrophobicContact CB-CD1 4.32Å; E393-Y428 HydrophobicContact CB-CD2 3.88Å; E393-Y428 HydrophobicContact CB-CE1 4.31Å; E393-Y428 HydrophobicContact CB-CE2 3.86Å; E393-Y428 HydrophobicContact CB-CG 4.12Å; E393-Y428 HydrophobicContact CG-CD1 3.77Å; E393-Y428 HydrophobicContact CG-CD2 4.13Å; E393-Y428 HydrophobicContact CG-CE1 4.04Å; E393-Y428 HydrophobicContact CG-CE2 4.37Å; E393-Y428 HydrophobicContact CG-CG 3.83Å; I396-Y428 HydrophobicContact CD1-CD2 3.86Å; R397-Y428 VanDerWaalsContact CG-O 3.25Å; R397-Y428 WeakPolarHBondContact CG-O 3.35Å; Q424-Y428 HydrophobicContact CB-CD2 3.89Å; Q424-Y428 HydrophobicContact CB-CE2 3.56Å; Q424-Y428 HydrophobicContact CG-CD2 4.45Å; Q424-Y428 HydrophobicContact CG-CE2 3.62Å; Q424-Y428 VanDerWaalsContact O-CB 3.3Å; Q424-Y428 WeakPolarHBondContact O-CB 3.5Å; Q424-Y428 WeakPolarHBondContact O-CD2 3.5Å; Q424-Y428 PolarHBondContact O-N 2.83Å
429	S	98.4	Very high	96.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	8.6	174.1	69.1	0	0	0	0	113.9	A425 Y426 T427 G431 R432 A433	A425-S429 VanDerWaalsContact O-CB 3.24Å; A425-S429 WeakPolarHBondContact O-CB 3.4Å; A425-S429 PolarHBondContact O-N 3.18Å; A425-S429 PolarHBondContact O-OG 2.91Å; Y426-S429 PolarHBondContact O-N 3.06Å; Y426-S429 PolarHBondContact O-OG 2.89Å; T427-S429 PolarHBondContact O-N 3.12Å; S429-G431 VanDerWaalsContact C-N 3.26Å; S429-G431 PolarHBondContact O-N 3.28Å; S429-R432 VanDerWaalsContact O-CB 3.31Å; S429-R432 WeakPolarHBondContact O-CB 3.47Å; S429-R432 PolarHBondContact O-N 2.96Å; S429-R432 VanDerWaalsContact O-N 3.14Å; S429-R432 PolarHBondContact O-NE 3.17Å; S429-R432 PolarHBondContact OG-N 3.33Å; S429-A433 WeakPolarHBondContact OG-CB 3.31Å; S429-A433 PolarHBondContact OG-N 3.18Å
430	D	97.5	Very high	96.4	Very high	93 Å²	93	29.5 Å²	29.5	50%	0.497	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	39.9	-175	-47.1	-58.1	0	0	0	112.7	Y426 T427 R432	Y426-D430 PolarHBondContact O-N 3.15Å; T427-D430 PolarHBondContact O-N 3.22Å; D430-R432 PolarHBondContact O-N 3.14Å; D430-R432 IonicContact OD2-NH2 2.65Å
431	G	97	Very high	96.1	Very high	12 Å²	12	31.4 Å²	31.4	12%	0.124	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	7.2	179.8	0	0	0	0	0	114.7	Y426 S429 F451	Y426-G431 PolarHBondContact O-N 3.32Å; S429-G431 VanDerWaalsContact C-N 3.26Å; S429-G431 PolarHBondContact O-N 3.28Å; G431-F451 WeakPolarHBondContact O-CZ 3.37Å
432	R	97.3	Very high	95.8	Very high	72 Å²	72	36.2 Å²	36.2	27%	0.272	19%	0.188	S	C	.	.			trans	-88.4	-22.4	-174.7	-62.9	-179.4	-68.4	120.6	-10.4	114.2	A400 N403 D404 R405 S429 D430	A400-R432 VanDerWaalsContact O-CZ 3.3Å; A400-R432 PolarHBondContact O-NH1 3.05Å; A400-R432 PolarHBondContact O-NH2 2.95Å; N403-R432 PolarHBondContact O-NH1 3.39Å; N403-R432 VanDerWaalsContact O-NH1 3.11Å; D404-R432 WeakPolarHBondContact O-CB 3.4Å; D404-R432 WeakPolarHBondContact O-CD 3.37Å; D404-R432 PolarHBondContact O-NH1 2.9Å; R405-R432 PolarHBondContact NE-O 2.78Å; S429-R432 VanDerWaalsContact O-CB 3.31Å; S429-R432 WeakPolarHBondContact O-CB 3.47Å; S429-R432 PolarHBondContact O-N 2.96Å; S429-R432 VanDerWaalsContact O-N 3.14Å; S429-R432 PolarHBondContact O-NE 3.17Å; S429-R432 PolarHBondContact OG-N 3.33Å; D430-R432 PolarHBondContact O-N 3.14Å; D430-R432 IonicContact OD2-NH2 2.65Å
433	A	98.3	Very high	95.7	Very high	1 Å²	1	42 Å²	42	1%	0.008	21%	0.212	C	C	.	.			trans	-57.7	142.2	-179.8	0	0	0	0	0	112.6	P406 I408 Y426 S429	P406-A433 HydrophobicContact CG-CB 4.25Å; P406-A433 CarbonylContact O-C 3.54Å; P406-A433 WeakPolarHBondContact O-CA 3.5Å; I408-A433 HydrophobicContact CD1-CB 3.87Å; I408-A433 HydrophobicContact CG1-CB 4.37Å; Y426-A433 WeakPolarHBondContact CE1-O 3.18Å; S429-A433 WeakPolarHBondContact OG-CB 3.31Å; S429-A433 PolarHBondContact OG-N 3.18Å
434	I	98.4	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	101.7	164.8	-59.4	162.3	0	0	0	105.9	A289 M292 T293 R405 P406 I407 I408 V503	A289-I434 HydrophobicContact CB-CG2 3.7Å; M292-I434 HydrophobicContact CB-CD1 3.66Å; M292-I434 HydrophobicContact CB-CG1 4.34Å; M292-I434 HydrophobicContact CE-CG1 4.13Å; M292-I434 HydrophobicContact CE-CG2 4.19Å; M292-I434 HydrophobicContact SD-CG2 3.96Å; T293-I434 HydrophobicContact CG2-CD1 3.49Å; T293-I434 VanDerWaalsContact CG2-CD1 3.49Å; R405-I434 HydrophobicContact CB-CD1 3.98Å; R405-I434 HydrophobicContact CB-CG1 4.37Å; P406-I434 PolarHBondContact O-N 2.74Å; I407-I434 HydrophobicContact CG1-CB 4.36Å; I407-I434 HydrophobicContact CG1-CD1 4.14Å; I408-I434 PolarHBondContact N-O 3.14Å; I434-V503 HydrophobicContact CG2-CG1 3.39Å
435	F	98.4	Very high	95.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.5	-170.8	-178.6	-96.4	0	0	0	112.5	I408 A410 A422 A425 Y426 F441 P453	I408-F435 HydrophobicContact CB-CD2 4.33Å; I408-F435 HydrophobicContact CG2-CD2 4.18Å; I408-F435 WeakPolarHBondContact O-CA 3.35Å; I408-F435 VanDerWaalsContact O-CD2 3.23Å; I408-F435 WeakPolarHBondContact O-CD2 3.21Å; A410-F435 HydrophobicContact CB-CE2 3.94Å; A410-F435 HydrophobicContact CB-CZ 4.13Å; A422-F435 HydrophobicContact CB-CD1 3.81Å; A422-F435 HydrophobicContact CB-CE1 3.57Å; A422-F435 HydrophobicContact CB-CZ 4.3Å; A425-F435 HydrophobicContact CB-CB 4.21Å; A425-F435 HydrophobicContact CB-CD2 3.32Å; A425-F435 HydrophobicContact CB-CE2 3.86Å; A425-F435 HydrophobicContact CB-CG 3.88Å; Y426-F435 HydrophobicContact CE1-CB 4.14Å; Y426-F435 HydrophobicContact CE2-CB 4.49Å; F435-F441 HydrophobicContact CE1-CD2 4.02Å; F435-F441 HydrophobicContact CE1-CE2 4.38Å; F435-F441 HydrophobicContact CZ-CD2 4.26Å; F435-F441 HydrophobicContact CZ-CE2 4.16Å; F435-P453 HydrophobicContact CD1-CB 3.66Å; F435-P453 HydrophobicContact CE1-CB 4.03Å
436	A	98	Very high	95.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	155.9	165.6	0	0	0	0	0	110.6	I408 F409 A410 G454 V503 Y504	I408-A436 PolarHBondContact O-N 3.04Å; F409-A436 CarbonylContact C-O 3.51Å; F409-A436 VanDerWaalsContact CA-O 3.28Å; F409-A436 WeakPolarHBondContact CA-O 3.45Å; F409-A436 HydrophobicContact CD1-CB 3.61Å; F409-A436 HydrophobicContact CD2-CB 4.45Å; F409-A436 HydrophobicContact CE1-CB 3.51Å; F409-A436 HydrophobicContact CE2-CB 4.37Å; F409-A436 HydrophobicContact CG-CB 4.1Å; F409-A436 HydrophobicContact CZ-CB 3.91Å; A410-A436 PolarHBondContact N-O 2.99Å; A436-G454 CarbonylContact C-O 3.25Å; A436-G454 VanDerWaalsContact CA-O 3.23Å; A436-G454 WeakPolarHBondContact CA-O 3.3Å; A436-G454 WeakPolarHBondContact CB-O 3.39Å; A436-V503 HydrophobicContact CB-CG2 3.69Å; A436-Y504 HydrophobicContact CB-CE2 4.06Å
437	S	95.2	Very high	95.3	Very high	1 Å²	1	45 Å²	45	1%	0.007	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.7	-178.5	54.2	0	0	0	0	113.2	A410 S439 F441 G454 Q455 G456	A410-S437 CarbonylContact O-C 3.53Å; A410-S437 WeakPolarHBondContact O-CA 3.43Å; A410-S437 WeakPolarHBondContact O-CB 3.2Å; S437-S439 WeakPolarHBondContact CB-O 3.25Å; S437-S439 PolarHBondContact OG-O 2.96Å; S437-F441 WeakPolarHBondContact OG-CD2 3.03Å; S437-G454 PolarHBondContact N-O 3.45Å; S437-Q455 CarbonylContact O-C 3.58Å; S437-Q455 VanDerWaalsContact O-CA 3.3Å; S437-Q455 WeakPolarHBondContact O-CA 3.2Å; S437-G456 PolarHBondContact O-N 3.06Å
438	G	89.6	Confident	95.1	Very high	4 Å²	4	47.1 Å²	47.1	4%	0.041	28%	0.283	C	S	.	.	S	Bend	trans	-75.4	-40.4	172.2	0	0	0	0	0	111.8	A410 N413 Q455	A410-G438 PolarHBondContact O-N 2.88Å; N413-G438 WeakPolarHBondContact OD1-CA 3.39Å; N413-G438 PolarHBondContact OD1-O 2.84Å; G438-Q455 VanDerWaalsContact O-CG 3.24Å; G438-Q455 WeakPolarHBondContact O-CG 3.3Å; G438-Q455 PolarHBondContact O-NE2 2.76Å
439	S	85.9	Confident	95	Very high	7 Å²	7	48.6 Å²	48.6	5%	0.049	29%	0.291	C	S	.	.	S	Bend	trans	-96.3	152	177.6	-67.3	0	0	0	0	111.4	N413 P414 T415 S437	N413-S439 PolarHBondContact OD1-N 3.07Å; N413-S439 PolarHBondContact OD1-OG 3.38Å; P414-S439 VanDerWaalsContact C-OG 3.25Å; P414-S439 WeakPolarHBondContact CA-OG 2.99Å; T415-S439 PolarHBondContact N-OG 3.13Å; T415-S439 VanDerWaalsContact N-OG 3.11Å; T415-S439 WeakPolarHBondContact OG1-CB 3.33Å; S437-S439 WeakPolarHBondContact CB-O 3.25Å; S437-S439 PolarHBondContact OG-O 2.96Å
440	P	87.9	Confident	94.9	Very high	85 Å²	85	50.7 Å²	50.7	55%	0.552	30%	0.304	S	S	*	.			trans	-67.7	144.8	178.6	29.3	-34.8	0	0	0	111.5
441	F	91.9	Very high	94.9	Very high	43 Å²	43	46.6 Å²	46.6	19%	0.189	28%	0.281	C	S	.	.			trans	-128.1	151	168.4	-76.1	-75.3	0	0	0	109.5	T415 T421 A422 F435 S437 P453	T415-F441 HydrophobicContact CG2-CD1 4.22Å; T415-F441 HydrophobicContact CG2-CE1 3.43Å; T415-F441 VanDerWaalsContact CG2-CE1 3.43Å; T415-F441 HydrophobicContact CG2-CZ 3.64Å; T421-F441 HydrophobicContact CG2-CE1 3.82Å; T421-F441 HydrophobicContact CG2-CZ 4.26Å; A422-F441 HydrophobicContact CB-CB 3.81Å; A422-F441 HydrophobicContact CB-CD2 4.29Å; A422-F441 HydrophobicContact CB-CG 4.01Å; F435-F441 HydrophobicContact CE1-CD2 4.02Å; F435-F441 HydrophobicContact CE1-CE2 4.38Å; F435-F441 HydrophobicContact CZ-CD2 4.26Å; F435-F441 HydrophobicContact CZ-CE2 4.16Å; S437-F441 WeakPolarHBondContact OG-CD2 3.03Å; F441-P453 HydrophobicContact CB-CG 3.88Å
442	D	92.4	Very high	94.8	Very high	146 Å²	146	49.6 Å²	49.6	78%	0.781	29%	0.289	S	S	*	.			trans	-64.8	163.8	173.4	-68	-42.4	0	0	0	111.9	P453	D442-P453 WeakPolarHBondContact O-CG 3.41Å
443	K	95.5	Very high	94.6	Very high	121 Å²	121	47 Å²	47	53%	0.526	28%	0.282	S	S	.	.			trans	-60.3	147.3	170.5	66.9	178.7	-172.2	164.1	0	110.5	T450 F451 Y452	K443-T450 HydrophobicContact CB-CG2 4.03Å; K443-T450 HydrophobicContact CD-CG2 3.92Å; K443-T450 HydrophobicContact CG-CG2 4.33Å; K443-F451 CarbonylContact C-O 3.58Å; K443-F451 VanDerWaalsContact CA-O 3.26Å; K443-F451 WeakPolarHBondContact CA-O 3.49Å; K443-F451 WeakPolarHBondContact CB-O 3.36Å; K443-Y452 HydrophobicContact CB-CD1 4.02Å; K443-Y452 HydrophobicContact CB-CE1 4.12Å; K443-Y452 HydrophobicContact CD-CE1 4.29Å
444	V	97.8	Very high	94.1	Very high	14 Å²	14	47.2 Å²	47.2	9%	0.085	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.6	-179.3	-179.4	0	0	0	0	109.4	A422 E423 Y426 F446 F451	A422-V444 HydrophobicContact CB-CG2 3.96Å; E423-V444 HydrophobicContact CB-CG2 4.31Å; Y426-V444 HydrophobicContact CD2-CB 3.81Å; Y426-V444 HydrophobicContact CD2-CG1 4Å; Y426-V444 HydrophobicContact CD2-CG2 3.95Å; Y426-V444 HydrophobicContact CE2-CB 4.31Å; Y426-V444 HydrophobicContact CE2-CG2 4.31Å; V444-F446 HydrophobicContact CG1-CB 4.48Å; V444-F451 PolarHBondContact N-O 3.3Å; V444-F451 PolarHBondContact O-N 3.06Å
445	D	97.4	Very high	93.8	Very high	106 Å²	106	49 Å²	49	57%	0.567	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	113	173.1	-67.1	-46.8	0	0	0	109.2	T450	D445-T450 WeakPolarHBondContact OD1-CA 3.48Å; D445-T450 VanDerWaalsContact OD1-CB 3.24Å; D445-T450 WeakPolarHBondContact OD1-CB 3.42Å; D445-T450 VanDerWaalsContact OD1-CG2 3.31Å; D445-T450 WeakPolarHBondContact OD1-CG2 3.43Å; D445-T450 PolarHBondContact OD1-OG1 3.46Å
446	F	96.6	Very high	93.5	Very high	58 Å²	58	49.4 Å²	49.4	25%	0.254	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	130.5	-179.5	-175.1	-88.3	0	0	0	111.1	T427 V444 G448 K449 F451	T427-F446 HydrophobicContact CG2-CE2 4.26Å; V444-F446 HydrophobicContact CG1-CB 4.48Å; F446-G448 VanDerWaalsContact C-N 3.27Å; F446-G448 PolarHBondContact O-N 3.06Å; F446-K449 PolarHBondContact N-O 3.31Å; F446-K449 PolarHBondContact O-N 3.29Å; F446-K449 VanDerWaalsContact O-O 3.08Å; F446-F451 HydrophobicContact CB-CD2 4.37Å; F446-F451 HydrophobicContact CB-CE2 4.12Å
447	G	92	Very high	93.1	Very high	79 Å²	79	50.4 Å²	50.4	81%	0.814	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	32.1	176	0	0	0	0	0	114.6	K449	G447-K449 VanDerWaalsContact C-N 3.27Å; G447-K449 PolarHBondContact O-N 3.01Å
448	G	93.8	Very high	93	Very high	94 Å²	94	51.4 Å²	51.4	97%	0.969	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	8.3	-176.7	0	0	0	0	0	114.7	F446	F446-G448 VanDerWaalsContact C-N 3.27Å; F446-G448 PolarHBondContact O-N 3.06Å
449	K	95	Very high	93.2	Very high	85 Å²	85	51.3 Å²	51.3	37%	0.37	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.8	177.9	-178.5	174.4	176.3	-179.6	0	110.8	F446 G447 F451 S499	F446-K449 PolarHBondContact N-O 3.31Å; F446-K449 PolarHBondContact O-N 3.29Å; F446-K449 VanDerWaalsContact O-O 3.08Å; G447-K449 VanDerWaalsContact C-N 3.27Å; G447-K449 PolarHBondContact O-N 3.01Å; K449-F451 HydrophobicContact CB-CE2 4.09Å; K449-F451 HydrophobicContact CB-CZ 4.45Å; K449-F451 HydrophobicContact CD-CE1 4.01Å; K449-F451 HydrophobicContact CD-CE2 4.12Å; K449-F451 HydrophobicContact CD-CZ 3.69Å; K449-F451 HydrophobicContact CG-CD2 4.45Å; K449-F451 HydrophobicContact CG-CE2 4.05Å; K449-F451 HydrophobicContact CG-CZ 4.14Å; K449-S499 WeakPolarHBondContact CE-O 3.43Å; K449-S499 PolarHBondContact NZ-O 3.22Å
450	T	97.1	Very high	93.8	Very high	44 Å²	44	51.2 Å²	51.2	27%	0.27	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.6	171.4	-52.4	0	0	0	0	109.9	K443 D445 Y452	K443-T450 HydrophobicContact CB-CG2 4.03Å; K443-T450 HydrophobicContact CD-CG2 3.92Å; K443-T450 HydrophobicContact CG-CG2 4.33Å; D445-T450 WeakPolarHBondContact OD1-CA 3.48Å; D445-T450 VanDerWaalsContact OD1-CB 3.24Å; D445-T450 WeakPolarHBondContact OD1-CB 3.42Å; D445-T450 VanDerWaalsContact OD1-CG2 3.31Å; D445-T450 WeakPolarHBondContact OD1-CG2 3.43Å; D445-T450 PolarHBondContact OD1-OG1 3.46Å; T450-Y452 HydrophobicContact CG2-CD2 4.2Å; T450-Y452 HydrophobicContact CG2-CE1 4.35Å; T450-Y452 HydrophobicContact CG2-CE2 3.57Å
451	F	97	Very high	94.3	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139.6	173.5	-64.2	-91.6	0	0	0	110.4	Y426 G431 K443 V444 F446 K449 P453 E500	Y426-F451 HydrophobicContact CD1-CD1 4Å; Y426-F451 HydrophobicContact CD1-CD2 4.41Å; Y426-F451 HydrophobicContact CD1-CE1 4.25Å; Y426-F451 HydrophobicContact CD1-CG 4.07Å; Y426-F451 HydrophobicContact CD2-CB 4.03Å; Y426-F451 HydrophobicContact CD2-CG 4.3Å; Y426-F451 HydrophobicContact CE1-CB 4.11Å; Y426-F451 AromaticContact CE1-CD1 3.59Å; Y426-F451 HydrophobicContact CE1-CD1 3.59Å; Y426-F451 HydrophobicContact CE1-CE1 4.12Å; Y426-F451 AromaticContact CE1-CG 3.88Å; Y426-F451 HydrophobicContact CE1-CG 3.88Å; Y426-F451 HydrophobicContact CE2-CB 3.54Å; Y426-F451 HydrophobicContact CE2-CG 4.12Å; Y426-F451 HydrophobicContact CG-CD2 4.39Å; Y426-F451 HydrophobicContact CG-CG 4.29Å; Y426-F451 AromaticContact CZ-CD1 3.91Å; Y426-F451 AromaticContact CZ-CG 3.91Å; G431-F451 WeakPolarHBondContact O-CZ 3.37Å; K443-F451 CarbonylContact C-O 3.58Å; K443-F451 VanDerWaalsContact CA-O 3.26Å; K443-F451 WeakPolarHBondContact CA-O 3.49Å; K443-F451 WeakPolarHBondContact CB-O 3.36Å; V444-F451 PolarHBondContact N-O 3.3Å; V444-F451 PolarHBondContact O-N 3.06Å; F446-F451 HydrophobicContact CB-CD2 4.37Å; F446-F451 HydrophobicContact CB-CE2 4.12Å; K449-F451 HydrophobicContact CB-CE2 4.09Å; K449-F451 HydrophobicContact CB-CZ 4.45Å; K449-F451 HydrophobicContact CD-CE1 4.01Å; K449-F451 HydrophobicContact CD-CE2 4.12Å; K449-F451 HydrophobicContact CD-CZ 3.69Å; K449-F451 HydrophobicContact CG-CD2 4.45Å; K449-F451 HydrophobicContact CG-CE2 4.05Å; K449-F451 HydrophobicContact CG-CZ 4.14Å; F451-P453 WeakPolarHBondContact O-CD 3.36Å; F451-E500 WeakPolarHBondContact CA-O 3.35Å
452	Y	95.5	Very high	94.5	Very high	76 Å²	76	45.1 Å²	45.1	30%	0.298	27%	0.27	S	S	.	.			trans	-116.4	91.2	176.6	-63	-96.5	0	0	0	108.7	K443 T450 G454 E500 R502	K443-Y452 HydrophobicContact CB-CD1 4.02Å; K443-Y452 HydrophobicContact CB-CE1 4.12Å; K443-Y452 HydrophobicContact CD-CE1 4.29Å; T450-Y452 HydrophobicContact CG2-CD2 4.2Å; T450-Y452 HydrophobicContact CG2-CE1 4.35Å; T450-Y452 HydrophobicContact CG2-CE2 3.57Å; Y452-G454 PolarHBondContact O-N 3.4Å; Y452-E500 HydrophobicContact CD2-CB 3.89Å; Y452-E500 HydrophobicContact CD2-CG 4.14Å; Y452-E500 HydrophobicContact CE2-CG 4.27Å; Y452-E500 PolarHBondContact N-O 3.2Å; Y452-R502 VanDerWaalsContact CB-NH2 3.33Å; Y452-R502 WeakPolarHBondContact O-CG 3.29Å
453	P	93.2	Very high	94.8	Very high	17 Å²	17	38.1 Å²	38.1	11%	0.11	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-60.3	129.5	-174.9	25.3	-34.3	0	0	0	110.8	A422 Y426 F435 F441 D442 F451	A422-P453 HydrophobicContact CB-CB 3.73Å; A422-P453 HydrophobicContact CB-CG 3.68Å; Y426-P453 HydrophobicContact CE2-CB 4.36Å; F435-P453 HydrophobicContact CD1-CB 3.66Å; F435-P453 HydrophobicContact CE1-CB 4.03Å; F441-P453 HydrophobicContact CB-CG 3.88Å; D442-P453 WeakPolarHBondContact O-CG 3.41Å; F451-P453 WeakPolarHBondContact O-CD 3.36Å
454	G	88.5	Confident	95	Very high	6 Å²	6	32.4 Å²	32.4	6%	0.062	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	141.1	-178.7	0	0	0	0	0	112.3	A436 S437 Y452	A436-G454 CarbonylContact C-O 3.25Å; A436-G454 VanDerWaalsContact CA-O 3.23Å; A436-G454 WeakPolarHBondContact CA-O 3.3Å; A436-G454 WeakPolarHBondContact CB-O 3.39Å; S437-G454 PolarHBondContact N-O 3.45Å; Y452-G454 PolarHBondContact O-N 3.4Å
455	Q	90.8	Very high	95	Very high	36 Å²	36	31.7 Å²	31.7	17%	0.168	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.3	173.4	-167.7	-170.1	1.4	0	0	110.8	S437 G438 N457 Y504	S437-Q455 CarbonylContact O-C 3.58Å; S437-Q455 VanDerWaalsContact O-CA 3.3Å; S437-Q455 WeakPolarHBondContact O-CA 3.2Å; G438-Q455 VanDerWaalsContact O-CG 3.24Å; G438-Q455 WeakPolarHBondContact O-CG 3.3Å; G438-Q455 PolarHBondContact O-NE2 2.76Å; Q455-N457 HydrophobicContact CG-CB 4.09Å; Q455-N457 PolarHBondContact NE2-ND2 3.09Å; Q455-N457 PolarHBondContact O-N 3Å; Q455-Y504 WeakPolarHBondContact O-CD2 3.21Å
456	G	92	Very high	95.1	Very high	10 Å²	10	26.7 Å²	26.7	10%	0.103	18%	0.176	C	C	.	.			trans	-74.5	66.5	171.8	0	0	0	0	0	111.9	S437 Y504	S437-G456 PolarHBondContact O-N 3.06Å; G456-Y504 VanDerWaalsContact CA-CE2 3.44Å; G456-Y504 WeakPolarHBondContact CA-OH 3.48Å
457	N	90.4	Very high	95.2	Very high	20 Å²	20	23.9 Å²	23.9	11%	0.107	16%	0.164	C	C	.	.			trans	-92.7	127.1	-177.5	-171	-34.5	0	0	0	111	V281 Q455 S459 Y460 W507	V281-N457 WeakPolarHBondContact CG2-O 3.35Å; Q455-N457 HydrophobicContact CG-CB 4.09Å; Q455-N457 PolarHBondContact NE2-ND2 3.09Å; Q455-N457 PolarHBondContact O-N 3Å; N457-S459 PolarHBondContact O-N 2.87Å; N457-S459 VanDerWaalsContact OD1-CB 3.23Å; N457-S459 WeakPolarHBondContact OD1-CB 3.31Å; N457-S459 PolarHBondContact OD1-N 2.88Å; N457-S459 PolarHBondContact OD1-OG 3.2Å; N457-Y460 HydrophobicContact CB-CD2 4.43Å; N457-Y460 WeakPolarHBondContact O-CD2 3.31Å; N457-Y460 PolarHBondContact O-N 3.19Å; N457-W507 HydrophobicContact CB-CH2 3.81Å; N457-W507 HydrophobicContact CB-CZ2 3.71Å
458	N	93.3	Very high	95.5	Very high	22 Å²	22	20.1 Å²	20.1	12%	0.118	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-53.7	-21.7	178.1	-63.9	15.9	0	0	0	113.4	D273 T278 Y460 I461 F462	D273-N458 PolarHBondContact O-ND2 3.03Å; D273-N458 WeakPolarHBondContact OD2-CB 3.37Å; D273-N458 PolarHBondContact OD2-ND2 2.93Å; T278-N458 WeakPolarHBondContact CA-OD1 3.4Å; T278-N458 PolarHBondContact N-ND2 3.42Å; T278-N458 PolarHBondContact OG1-ND2 3.43Å; N458-Y460 PolarHBondContact O-N 2.8Å; N458-Y460 VanDerWaalsContact O-N 3.12Å; N458-I461 PolarHBondContact O-N 2.68Å; N458-F462 HydrophobicContact CB-CD1 4.14Å; N458-F462 WeakPolarHBondContact O-CD1 3.22Å; N458-F462 PolarHBondContact O-N 2.87Å; N458-F462 VanDerWaalsContact O-N 3.12Å
459	S	94.1	Very high	95.7	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.014	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-64.7	-9.3	176.7	-45.6	0	0	0	0	114.5	L185 N457 I461 F462 P463	L185-S459 VanDerWaalsContact CD1-CB 3.5Å; N457-S459 PolarHBondContact O-N 2.87Å; N457-S459 VanDerWaalsContact OD1-CB 3.23Å; N457-S459 WeakPolarHBondContact OD1-CB 3.31Å; N457-S459 PolarHBondContact OD1-N 2.88Å; N457-S459 PolarHBondContact OD1-OG 3.2Å; S459-I461 VanDerWaalsContact C-N 3.34Å; S459-F462 VanDerWaalsContact CA-CE1 3.41Å; S459-P463 WeakPolarHBondContact O-CD 3.42Å; S459-P463 WeakPolarHBondContact O-CG 3.37Å
460	Y	96.9	Very high	95.9	Very high	5 Å²	5	11.8 Å²	11.8	2%	0.02	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-75	-22.3	164.2	-78.2	-75.4	0	0	0	113.8	N457 N458 L489 P505 W507 I510 I513 I517	N457-Y460 HydrophobicContact CB-CD2 4.43Å; N457-Y460 WeakPolarHBondContact O-CD2 3.31Å; N457-Y460 PolarHBondContact O-N 3.19Å; N458-Y460 PolarHBondContact O-N 2.8Å; N458-Y460 VanDerWaalsContact O-N 3.12Å; Y460-L489 HydrophobicContact CD1-CD1 3.68Å; Y460-L489 HydrophobicContact CD1-CD2 4.42Å; Y460-L489 HydrophobicContact CE1-CD1 4.43Å; Y460-L489 HydrophobicContact CG-CD1 4.16Å; Y460-L489 HydrophobicContact CG-CD2 4.06Å; Y460-P505 HydrophobicContact CE1-CG 4.18Å; Y460-P505 PolarHBondContact OH-O 3.31Å; Y460-W507 HydrophobicContact CD2-CH2 4.04Å; Y460-W507 HydrophobicContact CD2-CZ2 4.2Å; Y460-W507 HydrophobicContact CE2-CD2 4.34Å; Y460-W507 AromaticContact CE2-CE2 3.82Å; Y460-W507 AromaticContact CE2-CH2 3.76Å; Y460-W507 HydrophobicContact CE2-CH2 3.76Å; Y460-W507 AromaticContact CE2-CZ2 3.52Å; Y460-W507 HydrophobicContact CE2-CZ2 3.52Å; Y460-W507 HydrophobicContact CE2-CZ3 4.29Å; Y460-W507 AromaticContact CZ-CD2 3.93Å; Y460-W507 AromaticContact CZ-CE2 3.83Å; Y460-W507 AromaticContact CZ-CZ2 3.99Å; Y460-I510 HydrophobicContact CD1-CD1 3.5Å; Y460-I510 HydrophobicContact CE1-CD1 3.8Å; Y460-I510 HydrophobicContact CG-CD1 4.19Å; Y460-I513 HydrophobicContact CD1-CD1 4.41Å; Y460-I513 HydrophobicContact CD1-CG2 4.49Å; Y460-I513 HydrophobicContact CE1-CD1 4.14Å; Y460-I517 WeakPolarHBondContact O-CD1 3.36Å
461	I	98.3	Very high	96	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-63.9	-168.1	-59.7	-58	0	0	0	111.6	S280 V281 N458 S459 P463 G464 V465 F482 A485 L489 I517	S280-I461 WeakPolarHBondContact OG-CD1 3.34Å; S280-I461 WeakPolarHBondContact OG-CG2 3.37Å; V281-I461 HydrophobicContact CB-CG1 3.85Å; N458-I461 PolarHBondContact O-N 2.68Å; S459-I461 VanDerWaalsContact C-N 3.34Å; I461-P463 VanDerWaalsContact C-N 3.3Å; I461-P463 VanDerWaalsContact O-N 3.16Å; I461-G464 PolarHBondContact O-N 2.98Å; I461-G464 VanDerWaalsContact O-N 3.12Å; I461-V465 HydrophobicContact CG2-CG2 3.69Å; I461-V465 WeakPolarHBondContact O-CG2 3.16Å; I461-V465 PolarHBondContact O-N 3.46Å; I461-F482 HydrophobicContact CG2-CD1 4.06Å; I461-F482 HydrophobicContact CG2-CE1 4.36Å; I461-A485 HydrophobicContact CD1-CB 4.21Å; I461-A485 HydrophobicContact CG2-CB 4.33Å; I461-L489 HydrophobicContact CD1-CD2 3.78Å; I461-I517 HydrophobicContact CD1-CD1 4.48Å
462	F	98	Very high	96	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-56.4	-37.1	-168.9	73.3	-102.6	0	0	0	113.8	K178 L181 Y182 F271 D273 N458 S459 G464 A466	K178-F462 HydrophobicContact CD-CE1 4Å; K178-F462 HydrophobicContact CD-CE2 4.27Å; K178-F462 HydrophobicContact CD-CZ 3.86Å; K178-F462 VanDerWaalsContact NZ-CE1 3.31Å; L181-F462 HydrophobicContact CB-CE2 4.02Å; L181-F462 HydrophobicContact CB-CZ 3.72Å; L181-F462 HydrophobicContact CD1-CZ 4Å; Y182-F462 AromaticContact CD2-CD2 3.44Å; Y182-F462 HydrophobicContact CD2-CD2 3.44Å; Y182-F462 VanDerWaalsContact CD2-CD2 3.44Å; Y182-F462 AromaticContact CD2-CE2 3.41Å; Y182-F462 HydrophobicContact CD2-CE2 3.41Å; Y182-F462 VanDerWaalsContact CD2-CE2 3.41Å; Y182-F462 AromaticContact CE2-CD2 3.18Å; Y182-F462 HydrophobicContact CE2-CD2 3.18Å; Y182-F462 AromaticContact CE2-CE2 3.62Å; Y182-F462 HydrophobicContact CE2-CE2 3.62Å; Y182-F462 HydrophobicContact CE2-CG 4.21Å; F271-F462 HydrophobicContact CE2-CB 4.36Å; F271-F462 HydrophobicContact CZ-CB 4.22Å; D273-F462 WeakPolarHBondContact OD1-CB 3.36Å; N458-F462 HydrophobicContact CB-CD1 4.14Å; N458-F462 WeakPolarHBondContact O-CD1 3.22Å; N458-F462 PolarHBondContact O-N 2.87Å; N458-F462 VanDerWaalsContact O-N 3.12Å; S459-F462 VanDerWaalsContact CA-CE1 3.41Å; F462-G464 PolarHBondContact O-N 2.86Å; F462-A466 WeakPolarHBondContact O-CB 3.35Å; F462-A466 PolarHBondContact O-N 2.82Å
463	P	98.2	Very high	96.2	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.4	-45.9	180	-21.2	33.8	0	0	0	111.6	L185 A186 S459 I461 L467	L185-P463 HydrophobicContact CB-CB 3.94Å; L185-P463 HydrophobicContact CB-CG 3.77Å; L185-P463 HydrophobicContact CD1-CG 4.02Å; L185-P463 HydrophobicContact CG-CG 4.49Å; A186-P463 VanDerWaalsContact CB-C 3.43Å; A186-P463 HydrophobicContact CB-CB 3.41Å; A186-P463 VanDerWaalsContact CB-CB 3.41Å; A186-P463 VanDerWaalsContact CB-O 3.23Å; A186-P463 WeakPolarHBondContact CB-O 3.43Å; S459-P463 WeakPolarHBondContact O-CD 3.42Å; S459-P463 WeakPolarHBondContact O-CG 3.37Å; I461-P463 VanDerWaalsContact C-N 3.3Å; I461-P463 VanDerWaalsContact O-N 3.16Å; P463-L467 WeakPolarHBondContact O-CB 3.12Å; P463-L467 PolarHBondContact O-N 3.46Å
464	G	98.6	Very high	96.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-69.5	-43	179.7	0	0	0	0	0	112.7	I461 F462 A466 L467 G468 S514 A518	I461-G464 PolarHBondContact O-N 2.98Å; I461-G464 VanDerWaalsContact O-N 3.12Å; F462-G464 PolarHBondContact O-N 2.86Å; G464-A466 VanDerWaalsContact C-N 3.34Å; G464-A466 PolarHBondContact O-N 3.44Å; G464-L467 PolarHBondContact O-N 3.45Å; G464-G468 PolarHBondContact O-N 2.99Å; G464-S514 WeakPolarHBondContact CA-O 3.31Å; G464-A518 VanDerWaalsContact O-CA 3.28Å; G464-A518 WeakPolarHBondContact O-CA 3.4Å; G464-A518 VanDerWaalsContact O-CB 3.32Å; G464-A518 WeakPolarHBondContact O-CB 3.42Å
465	V	98.8	Very high	96.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.5	-46.1	175.8	171.9	0	0	0	0	110.5	I461 G468 A469 V477 F482 A485 I517 V521	I461-V465 HydrophobicContact CG2-CG2 3.69Å; I461-V465 WeakPolarHBondContact O-CG2 3.16Å; I461-V465 PolarHBondContact O-N 3.46Å; V465-G468 PolarHBondContact O-N 3.01Å; V465-A469 VanDerWaalsContact O-CB 3.31Å; V465-A469 WeakPolarHBondContact O-CB 3.4Å; V465-A469 PolarHBondContact O-N 3.4Å; V465-V477 HydrophobicContact CG1-CG1 3.93Å; V465-F482 HydrophobicContact CG1-CE1 4.11Å; V465-F482 HydrophobicContact CG1-CZ 4.14Å; V465-F482 HydrophobicContact CG2-CD1 4.38Å; V465-F482 HydrophobicContact CG2-CE1 4.35Å; V465-A485 HydrophobicContact CG2-CB 3.76Å; V465-I517 HydrophobicContact CG2-CG2 4.2Å; V465-V521 HydrophobicContact CG2-CG2 4.37Å
466	A	98.7	Very high	97.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.9	-47.4	178	0	0	0	0	0	112.4	Y182 L246 F462 G464 G468 A469 I470	Y182-A466 HydrophobicContact CD1-CB 3.75Å; Y182-A466 HydrophobicContact CE1-CB 3.11Å; Y182-A466 HydrophobicContact CE2-CB 4.5Å; L246-A466 HydrophobicContact CD2-CB 3.56Å; F462-A466 WeakPolarHBondContact O-CB 3.35Å; F462-A466 PolarHBondContact O-N 2.82Å; G464-A466 VanDerWaalsContact C-N 3.34Å; G464-A466 PolarHBondContact O-N 3.44Å; A466-G468 VanDerWaalsContact C-N 3.31Å; A466-G468 PolarHBondContact O-N 3.3Å; A466-A469 PolarHBondContact O-N 3.41Å; A466-I470 HydrophobicContact CB-CD1 4.44Å; A466-I470 WeakPolarHBondContact O-CB 3.44Å; A466-I470 VanDerWaalsContact O-CD1 3.31Å; A466-I470 WeakPolarHBondContact O-CD1 3.47Å; A466-I470 WeakPolarHBondContact O-CG1 3.29Å; A466-I470 PolarHBondContact O-N 3.36Å
467	L	98.8	Very high	97.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.2	-45.2	177.7	179.5	65.9	0	0	0	111.3	A186 V188 P463 G464 I470 C471 A518 I544 V548	A186-L467 HydrophobicContact CB-CB 4.11Å; A186-L467 HydrophobicContact CB-CD2 4.13Å; A186-L467 WeakPolarHBondContact O-CD2 3.47Å; V188-L467 HydrophobicContact CG2-CB 4.23Å; V188-L467 HydrophobicContact CG2-CD1 4.33Å; P463-L467 WeakPolarHBondContact O-CB 3.12Å; P463-L467 PolarHBondContact O-N 3.46Å; G464-L467 PolarHBondContact O-N 3.45Å; L467-I470 PolarHBondContact O-N 3.35Å; L467-C471 VanDerWaalsContact O-CB 3.3Å; L467-C471 WeakPolarHBondContact O-CB 3.35Å; L467-C471 PolarHBondContact O-N 3.24Å; L467-C471 PolarHBondContact O-SG 2.98Å; L467-C471 VanDerWaalsContact O-SG 3.35Å; L467-A518 HydrophobicContact CB-CB 3.92Å; L467-A518 HydrophobicContact CD2-CB 3.84Å; L467-A518 HydrophobicContact CG-CB 3.85Å; L467-I544 HydrophobicContact CD2-CG2 3.53Å; L467-I544 HydrophobicContact CG-CG2 4.01Å; L467-V548 HydrophobicContact CD2-CG1 3.95Å
468	G	98.6	Very high	97.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.3	-49.4	175.6	0	0	0	0	0	112.2	G464 V465 A466 I470 C471 C472 A518	G464-G468 PolarHBondContact O-N 2.99Å; V465-G468 PolarHBondContact O-N 3.01Å; A466-G468 VanDerWaalsContact C-N 3.31Å; A466-G468 PolarHBondContact O-N 3.3Å; G468-I470 PolarHBondContact O-N 3.08Å; G468-C471 PolarHBondContact O-N 3.44Å; G468-C472 PolarHBondContact O-N 3.02Å; G468-C472 PolarHBondContact O-SG 2.96Å; G468-A518 WeakPolarHBondContact CA-O 3.44Å
469	A	98.6	Very high	97.7	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-59	-45.1	179.2	0	0	0	0	0	112.6	V465 A466 M473 T474 V477	V465-A469 VanDerWaalsContact O-CB 3.31Å; V465-A469 WeakPolarHBondContact O-CB 3.4Å; V465-A469 PolarHBondContact O-N 3.4Å; A466-A469 PolarHBondContact O-N 3.41Å; A469-M473 WeakPolarHBondContact O-CA 3.24Å; A469-M473 PolarHBondContact O-N 3.02Å; A469-M473 VanDerWaalsContact O-N 3.08Å; A469-T474 HydrophobicContact CB-CG2 3.61Å; A469-T474 PolarHBondContact O-N 3.03Å; A469-V477 HydrophobicContact CB-CG2 4.28Å
470	I	98.6	Very high	97.9	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-65.8	-50.4	179.3	-66.8	160.2	0	0	0	110.6	R151 A152 V188 W192 L246 A466 L467 G468 C472 M473	R151-I470 HydrophobicContact CB-CG1 4.49Å; R151-I470 HydrophobicContact CB-CG2 3.87Å; A152-I470 HydrophobicContact CB-CD1 3.84Å; V188-I470 HydrophobicContact CG1-CD1 3.91Å; V188-I470 HydrophobicContact CG2-CD1 4.31Å; W192-I470 HydrophobicContact CE3-CG2 3.71Å; W192-I470 HydrophobicContact CZ3-CG2 3.78Å; L246-I470 HydrophobicContact CB-CG1 4.39Å; L246-I470 HydrophobicContact CD2-CD1 4.37Å; L246-I470 HydrophobicContact CD2-CG1 4.29Å; A466-I470 HydrophobicContact CB-CD1 4.44Å; A466-I470 WeakPolarHBondContact O-CB 3.44Å; A466-I470 VanDerWaalsContact O-CD1 3.31Å; A466-I470 WeakPolarHBondContact O-CD1 3.47Å; A466-I470 WeakPolarHBondContact O-CG1 3.29Å; A466-I470 PolarHBondContact O-N 3.36Å; L467-I470 PolarHBondContact O-N 3.35Å; G468-I470 PolarHBondContact O-N 3.08Å; I470-C472 PolarHBondContact O-N 3.05Å; I470-M473 PolarHBondContact O-N 3.31Å; I470-M473 VanDerWaalsContact O-N 3.15Å
471	C	98.4	Very high	97.9	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.034	9%	0.094	C	C	.	.	H	α-helix	trans	-67.7	-37.3	-174.7	-74	0	0	0	0	112.9	L467 G468 M473 F543 I544	L467-C471 VanDerWaalsContact O-CB 3.3Å; L467-C471 WeakPolarHBondContact O-CB 3.35Å; L467-C471 PolarHBondContact O-N 3.24Å; L467-C471 PolarHBondContact O-SG 2.98Å; L467-C471 VanDerWaalsContact O-SG 3.35Å; G468-C471 PolarHBondContact O-N 3.44Å; C471-M473 VanDerWaalsContact C-N 3.29Å; C471-F543 HydrophobicContact CB-CE1 3.93Å; C471-F543 WeakPolarHBondContact O-CE1 3.5Å; C471-I544 HydrophobicContact CB-CD1 3.3Å
472	C	98.2	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.5	174.6	75.2	0	0	0	0	113.7	G468 I470 T474 A522 Y526 A531 A532 C533	G468-C472 PolarHBondContact O-N 3.02Å; G468-C472 PolarHBondContact O-SG 2.96Å; I470-C472 PolarHBondContact O-N 3.05Å; C472-T474 VanDerWaalsContact C-N 3.25Å; C472-T474 PolarHBondContact O-N 3.05Å; C472-A522 HydrophobicContact CB-CB 3.95Å; C472-Y526 HydrophobicContact CB-CE2 4.06Å; C472-A531 HydrophobicContact CB-CB 4.1Å; C472-A532 PolarHBondContact O-N 3.36Å; C472-C533 PolarHBondContact O-N 3.19Å
473	M	98.3	Very high	98	Very high	55 Å²	55	20.6 Å²	20.6	27%	0.271	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	46	-176.1	-58.1	174.6	73.5	0	0	111.8	H244 A469 I470 C471 A532 C533	H244-M473 HydrophobicContact CB-CB 3.88Å; H244-M473 HydrophobicContact CB-CE 4.31Å; H244-M473 WeakPolarHBondContact ND1-CE 3.33Å; A469-M473 WeakPolarHBondContact O-CA 3.24Å; A469-M473 PolarHBondContact O-N 3.02Å; A469-M473 VanDerWaalsContact O-N 3.08Å; I470-M473 PolarHBondContact O-N 3.31Å; I470-M473 VanDerWaalsContact O-N 3.15Å; C471-M473 VanDerWaalsContact C-N 3.29Å; M473-A532 HydrophobicContact CB-CB 4.1Å; M473-A532 WeakPolarHBondContact O-CB 3.45Å; M473-A532 PolarHBondContact O-N 3.47Å; M473-C533 HydrophobicContact CB-CB 4.38Å; M473-C533 HydrophobicContact CG-CB 4.19Å; M473-C533 HydrophobicContact SD-CB 4.23Å
474	T	98	Very high	98	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	10%	0.099	C	C	.	.			trans	-59.8	144	-175.5	-169.4	0	0	0	0	111.4	C269 A469 C472 H476 V477 C525 L530	C269-T474 PolarHBondContact SG-O 2.64Å; C269-T474 VanDerWaalsContact SG-O 3.42Å; A469-T474 HydrophobicContact CB-CG2 3.61Å; A469-T474 PolarHBondContact O-N 3.03Å; C472-T474 VanDerWaalsContact C-N 3.25Å; C472-T474 PolarHBondContact O-N 3.05Å; T474-H476 WeakPolarHBondContact CG2-O 3.36Å; T474-H476 PolarHBondContact OG1-O 2.72Å; T474-V477 HydrophobicContact CG2-CG2 4.15Å; T474-C525 PolarHBondContact OG1-SG 3.01Å; T474-C525 VanDerWaalsContact OG1-SG 3.35Å; T474-L530 WeakPolarHBondContact CA-O 3.38Å
475	R	96.4	Very high	98	Very high	134 Å²	134	21.4 Å²	21.4	51%	0.506	10%	0.099	S	C	.	.	S	Bend	trans	-72.9	-36.3	177.5	-63.6	178.5	-173.1	176.4	3.1	112.8	Y268 C269 L530	Y268-R475 CarbonylContact C-O 3.57Å; C269-R475 WeakPolarHBondContact CA-O 3.29Å; C269-R475 PolarHBondContact N-O 3.4Å; C269-R475 VanDerWaalsContact N-O 3.16Å; R475-L530 PolarHBondContact N-O 3.02Å
476	H	97.4	Very high	98	Very high	45 Å²	45	21.4 Å²	21.4	21%	0.208	10%	0.099	C	C	.	.			trans	-142.3	158.4	-177.8	-53.4	-59.9	0	0	0	110	K265 D266 Y268 T474 P478	K265-H476 PolarHBondContact O-ND1 2.96Å; D266-H476 PolarHBondContact O-CE1 3.1Å; D266-H476 PolarHBondContact O-NE2 3.14Å; Y268-H476 PolarHBondContact O-ND1 3.46Å; T474-H476 WeakPolarHBondContact CG2-O 3.36Å; T474-H476 PolarHBondContact OG1-O 2.72Å; H476-P478 WeakPolarHBondContact O-CD 3.22Å
477	V	97.8	Very high	98	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.024	11%	0.113	C	C	.	.			trans	-113.7	85.4	174.7	-169.2	0	0	0	0	108.7	L246 F271 V465 A469 T474 A481 F482	L246-V477 HydrophobicContact CD1-CG2 4.07Å; F271-V477 HydrophobicContact CB-CB 4.46Å; V465-V477 HydrophobicContact CG1-CG1 3.93Å; A469-V477 HydrophobicContact CB-CG2 4.28Å; T474-V477 HydrophobicContact CG2-CG2 4.15Å; V477-A481 HydrophobicContact CG1-CB 4.29Å; V477-F482 HydrophobicContact CG1-CD2 4.48Å; V477-F482 HydrophobicContact CG1-CE2 3.64Å; V477-F482 HydrophobicContact CG1-CZ 3.98Å
478	P	95.7	Very high	98	Very high	41 Å²	41	25.9 Å²	25.9	27%	0.266	12%	0.122	S	C	.	.			trans	-70	157.8	-176.1	30.1	-36.3	0	0	0	111.6	H476 R480 A481 L530	H476-P478 WeakPolarHBondContact O-CD 3.22Å; P478-R480 PolarHBondContact O-N 3.13Å; P478-A481 HydrophobicContact CG-CB 4.37Å; P478-A481 VanDerWaalsContact O-CB 3.3Å; P478-A481 WeakPolarHBondContact O-CB 3.42Å; P478-A481 PolarHBondContact O-N 3.24Å; P478-L530 HydrophobicContact CG-CD1 3.83Å
479	D	95.6	Very high	98	Very high	60 Å²	60	25.9 Å²	25.9	32%	0.321	12%	0.122	S	C	.	.	H	α-helix	trans	-54.2	-26.6	174.2	-65.8	-36.3	0	0	0	112.5	Q276 L317 M320 A481 F482 L483	Q276-D479 PolarHBondContact NE2-OD1 3.11Å; L317-D479 WeakPolarHBondContact CD1-O 3.37Å; M320-D479 HydrophobicContact CE-CB 3.96Å; M320-D479 HydrophobicContact SD-CB 3.75Å; D479-A481 VanDerWaalsContact C-N 3.31Å; D479-A481 PolarHBondContact O-N 3.06Å; D479-F482 WeakPolarHBondContact O-CB 3.45Å; D479-F482 PolarHBondContact O-N 2.89Å; D479-L483 PolarHBondContact O-N 2.92Å; D479-L483 VanDerWaalsContact O-N 3.12Å
480	R	97	Very high	97.9	Very high	82 Å²	82	26 Å²	26	31%	0.309	12%	0.123	S	C	.	.	H	α-helix	trans	-64.6	-32.6	175.4	-170	61.1	176.7	-144.7	-4.4	113	M320 R324 P478 F482 L483 V484 H524	M320-R480 HydrophobicContact CE-CB 4.26Å; R324-R480 VanDerWaalsContact NE-NH2 3.1Å; P478-R480 PolarHBondContact O-N 3.13Å; R480-F482 VanDerWaalsContact C-N 3.29Å; R480-F482 PolarHBondContact O-N 3.29Å; R480-L483 PolarHBondContact O-N 3.34Å; R480-V484 WeakPolarHBondContact O-CG2 3.35Å; R480-V484 PolarHBondContact O-N 3.32Å; R480-H524 WeakPolarHBondContact CG-CE1 3.47Å; R480-H524 WeakPolarHBondContact CG-NE2 3.14Å
481	A	98.1	Very high	97.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-37.8	174.4	0	0	0	0	0	111.3	V477 P478 D479 V484 A485 V521	V477-A481 HydrophobicContact CG1-CB 4.29Å; P478-A481 HydrophobicContact CG-CB 4.37Å; P478-A481 VanDerWaalsContact O-CB 3.3Å; P478-A481 WeakPolarHBondContact O-CB 3.42Å; P478-A481 PolarHBondContact O-N 3.24Å; D479-A481 VanDerWaalsContact C-N 3.31Å; D479-A481 PolarHBondContact O-N 3.06Å; A481-V484 PolarHBondContact O-N 2.64Å; A481-A485 PolarHBondContact O-N 3.26Å; A481-V521 HydrophobicContact CB-CG1 4.28Å
482	F	98.7	Very high	97.8	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-68.1	-37.3	174.9	-69.8	-80.3	0	0	0	112.6	F271 Q276 S280 L317 I461 V465 V477 D479 R480 A485 S486	F271-F482 HydrophobicContact CB-CE2 3.99Å; F271-F482 HydrophobicContact CB-CZ 3.64Å; F271-F482 HydrophobicContact CD1-CZ 4.3Å; F271-F482 HydrophobicContact CD2-CE1 4.08Å; F271-F482 AromaticContact CD2-CZ 3.57Å; F271-F482 HydrophobicContact CD2-CZ 3.57Å; F271-F482 HydrophobicContact CE2-CE1 4.38Å; F271-F482 HydrophobicContact CE2-CZ 4.24Å; F271-F482 HydrophobicContact CG-CE2 4.43Å; F271-F482 AromaticContact CG-CZ 3.62Å; F271-F482 HydrophobicContact CG-CZ 3.62Å; Q276-F482 HydrophobicContact CB-CD1 3.96Å; Q276-F482 HydrophobicContact CB-CD2 3.85Å; Q276-F482 HydrophobicContact CB-CE1 3.79Å; Q276-F482 HydrophobicContact CB-CE2 3.67Å; Q276-F482 HydrophobicContact CB-CG 3.99Å; Q276-F482 HydrophobicContact CB-CZ 3.65Å; Q276-F482 HydrophobicContact CG-CD2 4.4Å; Q276-F482 HydrophobicContact CG-CE2 4.19Å; Q276-F482 WeakPolarHBondContact O-CD1 3.41Å; S280-F482 PolarHBondContact OG-O 3.08Å; L317-F482 HydrophobicContact CD1-CB 4.39Å; L317-F482 HydrophobicContact CD2-CB 4.3Å; I461-F482 HydrophobicContact CG2-CD1 4.06Å; I461-F482 HydrophobicContact CG2-CE1 4.36Å; V465-F482 HydrophobicContact CG1-CE1 4.11Å; V465-F482 HydrophobicContact CG1-CZ 4.14Å; V465-F482 HydrophobicContact CG2-CD1 4.38Å; V465-F482 HydrophobicContact CG2-CE1 4.35Å; V477-F482 HydrophobicContact CG1-CD2 4.48Å; V477-F482 HydrophobicContact CG1-CE2 3.64Å; V477-F482 HydrophobicContact CG1-CZ 3.98Å; D479-F482 WeakPolarHBondContact O-CB 3.45Å; D479-F482 PolarHBondContact O-N 2.89Å; R480-F482 VanDerWaalsContact C-N 3.29Å; R480-F482 PolarHBondContact O-N 3.29Å; F482-A485 PolarHBondContact O-N 3.23Å; F482-S486 PolarHBondContact O-N 3.13Å; F482-S486 PolarHBondContact O-OG 3.45Å
483	L	98.5	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65	-41.6	172.4	179.7	59.1	0	0	0	111.6	V283 L317 M320 A321 R324 D479 R480 A485 S486 E487	V283-L483 HydrophobicContact CG1-CD1 4.23Å; L317-L483 HydrophobicContact CD1-CB 3.93Å; M320-L483 HydrophobicContact CB-CD2 4.05Å; A321-L483 HydrophobicContact CB-CD1 3.67Å; R324-L483 HydrophobicContact CG-CD2 4.18Å; D479-L483 PolarHBondContact O-N 2.92Å; D479-L483 VanDerWaalsContact O-N 3.12Å; R480-L483 PolarHBondContact O-N 3.34Å; L483-A485 VanDerWaalsContact C-N 3.33Å; L483-A485 PolarHBondContact O-N 3.16Å; L483-S486 WeakPolarHBondContact O-CB 3.34Å; L483-S486 PolarHBondContact O-N 3.18Å; L483-E487 HydrophobicContact CD1-CG 4.42Å; L483-E487 WeakPolarHBondContact O-CG 3.34Å; L483-E487 PolarHBondContact O-N 3.17Å
484	V	98.6	Very high	97.7	Very high	17 Å²	17	30.5 Å²	30.5	10%	0.103	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-45.7	174.5	169.1	0	0	0	0	110.4	R480 A481 S486 E487 V488 A520 H524	R480-V484 WeakPolarHBondContact O-CG2 3.35Å; R480-V484 PolarHBondContact O-N 3.32Å; A481-V484 PolarHBondContact O-N 2.64Å; V484-S486 VanDerWaalsContact C-N 3.32Å; V484-S486 PolarHBondContact O-N 2.53Å; V484-E487 PolarHBondContact O-N 3.31Å; V484-V488 WeakPolarHBondContact O-CG2 3.42Å; V484-V488 PolarHBondContact O-N 2.92Å; V484-A520 HydrophobicContact CG1-CB 3.74Å; V484-H524 HydrophobicContact CG2-CB 4.27Å
485	A	98.8	Very high	97.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.9	-42.5	174.7	0	0	0	0	0	112.1	I461 V465 A481 F482 L483 E487 V488 L489 I517	I461-A485 HydrophobicContact CD1-CB 4.21Å; I461-A485 HydrophobicContact CG2-CB 4.33Å; V465-A485 HydrophobicContact CG2-CB 3.76Å; A481-A485 PolarHBondContact O-N 3.26Å; F482-A485 PolarHBondContact O-N 3.23Å; L483-A485 VanDerWaalsContact C-N 3.33Å; L483-A485 PolarHBondContact O-N 3.16Å; A485-E487 PolarHBondContact O-N 2.9Å; A485-V488 PolarHBondContact O-N 3.3Å; A485-L489 WeakPolarHBondContact O-CB 3.45Å; A485-L489 PolarHBondContact O-N 3.44Å; A485-I517 HydrophobicContact CB-CG2 3.65Å
486	S	98.7	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-44.7	176.2	-57.8	0	0	0	0	112.9	S280 A284 F482 L483 V484 L489 A490	S280-S486 VanDerWaalsContact C-OG 3.31Å; S280-S486 VanDerWaalsContact CA-OG 3.22Å; S280-S486 WeakPolarHBondContact CA-OG 3.42Å; S280-S486 WeakPolarHBondContact O-CB 3.39Å; S280-S486 PolarHBondContact O-OG 2.59Å; S280-S486 PolarHBondContact OG-OG 2.8Å; A284-S486 WeakPolarHBondContact CB-O 3.24Å; F482-S486 PolarHBondContact O-N 3.13Å; F482-S486 PolarHBondContact O-OG 3.45Å; L483-S486 WeakPolarHBondContact O-CB 3.34Å; L483-S486 PolarHBondContact O-N 3.18Å; V484-S486 VanDerWaalsContact C-N 3.32Å; V484-S486 PolarHBondContact O-N 2.53Å; S486-L489 PolarHBondContact O-N 2.69Å; S486-A490 VanDerWaalsContact O-CB 3.28Å; S486-A490 WeakPolarHBondContact O-CB 3.48Å; S486-A490 PolarHBondContact O-N 3.2Å
487	E	98.5	Very high	97.5	Very high	62 Å²	62	37.9 Å²	37.9	29%	0.29	20%	0.202	S	C	.	.	H	α-helix	trans	-64.8	-43.1	179.9	-72.6	170.2	178.7	0	0	111.8	L287 R324 L483 V484 A485 G491	L287-E487 HydrophobicContact CD1-CG 4.05Å; R324-E487 WeakPolarHBondContact CD-OE1 3.21Å; R324-E487 IonicContact CZ-OE1 3.32Å; R324-E487 IonicContact CZ-OE2 2.78Å; R324-E487 IonicContact NE-OE1 3.33Å; R324-E487 PolarHBondContact NE-OE1 3.04Å; R324-E487 IonicContact NH1-OE1 3.62Å; R324-E487 PolarHBondContact NH1-OE1 3.49Å; R324-E487 IonicContact NH1-OE2 2.73Å; R324-E487 PolarHBondContact NH1-OE2 3.24Å; L483-E487 HydrophobicContact CD1-CG 4.42Å; L483-E487 WeakPolarHBondContact O-CG 3.34Å; L483-E487 PolarHBondContact O-N 3.17Å; V484-E487 PolarHBondContact O-N 3.31Å; A485-E487 PolarHBondContact O-N 2.9Å; E487-G491 PolarHBondContact O-N 2.63Å
488	V	98.6	Very high	97.4	Very high	33 Å²	33	39.2 Å²	39.2	20%	0.2	21%	0.208	C	C	.	.	H	α-helix	trans	-62.2	-50.3	175.9	172.8	0	0	0	0	110.2	V484 A485 A490 G491 L492 K516 I517 A520	V484-V488 WeakPolarHBondContact O-CG2 3.42Å; V484-V488 PolarHBondContact O-N 2.92Å; A485-V488 PolarHBondContact O-N 3.3Å; V488-A490 VanDerWaalsContact C-N 3.35Å; V488-A490 PolarHBondContact O-N 2.78Å; V488-G491 WeakPolarHBondContact O-CA 3.4Å; V488-G491 PolarHBondContact O-N 3.37Å; V488-L492 HydrophobicContact CG1-CD1 4.1Å; V488-L492 WeakPolarHBondContact O-CG 3.38Å; V488-L492 PolarHBondContact O-N 2.87Å; V488-L492 VanDerWaalsContact O-N 3.1Å; V488-K516 HydrophobicContact CG1-CB 4.08Å; V488-I517 HydrophobicContact CB-CG1 4.16Å; V488-I517 HydrophobicContact CG1-CG1 3.82Å; V488-A520 HydrophobicContact CG2-CB 3.52Å
489	L	98.5	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.8	-46.4	179.9	-178.1	61.9	0	0	0	111.7	V281 A284 Y460 I461 A485 S486 G491 L492 Y504 P505 I513 I517	V281-L489 HydrophobicContact CG2-CD2 4.47Å; A284-L489 HydrophobicContact CB-CB 3.95Å; A284-L489 HydrophobicContact CB-CD2 3.61Å; A284-L489 HydrophobicContact CB-CG 3.96Å; Y460-L489 HydrophobicContact CD1-CD1 3.68Å; Y460-L489 HydrophobicContact CD1-CD2 4.42Å; Y460-L489 HydrophobicContact CE1-CD1 4.43Å; Y460-L489 HydrophobicContact CG-CD1 4.16Å; Y460-L489 HydrophobicContact CG-CD2 4.06Å; I461-L489 HydrophobicContact CD1-CD2 3.78Å; A485-L489 WeakPolarHBondContact O-CB 3.45Å; A485-L489 PolarHBondContact O-N 3.44Å; S486-L489 PolarHBondContact O-N 2.69Å; L489-G491 PolarHBondContact O-N 3.13Å; L489-L492 PolarHBondContact O-N 2.91Å; L489-L492 VanDerWaalsContact O-N 3.16Å; L489-Y504 HydrophobicContact CD2-CD1 4.12Å; L489-Y504 HydrophobicContact CD2-CE1 4.44Å; L489-P505 HydrophobicContact CD1-CG 3.63Å; L489-I513 HydrophobicContact CD1-CG2 3.74Å; L489-I517 HydrophobicContact CB-CD1 4.45Å
490	A	97.9	Very high	97.3	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-67.3	-23.3	176.4	0	0	0	0	0	113.6	A284 L287 A288 K291 S486 V488	A284-A490 WeakPolarHBondContact O-CB 3.47Å; L287-A490 HydrophobicContact CB-CB 3.56Å; L287-A490 HydrophobicContact CD1-CB 4.25Å; A288-A490 HydrophobicContact CB-CB 4.49Å; K291-A490 PolarHBondContact NZ-O 3.04Å; S486-A490 VanDerWaalsContact O-CB 3.28Å; S486-A490 WeakPolarHBondContact O-CB 3.48Å; S486-A490 PolarHBondContact O-N 3.2Å; V488-A490 VanDerWaalsContact C-N 3.35Å; V488-A490 PolarHBondContact O-N 2.78Å
491	G	97.6	Very high	97.2	Very high	48 Å²	48	35.5 Å²	35.5	50%	0.495	20%	0.197	S	C	.	.	H	α-helix	trans	-75.2	-24.8	173.3	0	0	0	0	0	113.5	E487 V488 L489	E487-G491 PolarHBondContact O-N 2.63Å; V488-G491 WeakPolarHBondContact O-CA 3.4Å; V488-G491 PolarHBondContact O-N 3.37Å; L489-G491 PolarHBondContact O-N 3.13Å
492	L	97.6	Very high	97	Very high	51 Å²	51	38.2 Å²	38.2	27%	0.267	21%	0.206	S	C	.	.	S	Bend	trans	-87.8	-7.9	-179.2	-66.5	172.3	0	0	0	114	V488 L489 S494 P505 I513 K516	V488-L492 HydrophobicContact CG1-CD1 4.1Å; V488-L492 WeakPolarHBondContact O-CG 3.38Å; V488-L492 PolarHBondContact O-N 2.87Å; V488-L492 VanDerWaalsContact O-N 3.1Å; L489-L492 PolarHBondContact O-N 2.91Å; L489-L492 VanDerWaalsContact O-N 3.16Å; L492-S494 PolarHBondContact O-N 3.29Å; L492-P505 HydrophobicContact CB-CG 4.48Å; L492-I513 HydrophobicContact CD1-CB 4.28Å; L492-I513 HydrophobicContact CD1-CG1 3.95Å; L492-I513 HydrophobicContact CD1-CG2 4.2Å; L492-K516 HydrophobicContact CD1-CB 4.34Å; L492-K516 HydrophobicContact CD1-CD 3.91Å; L492-K516 HydrophobicContact CD2-CD 3.72Å; L492-K516 HydrophobicContact CG-CD 4.46Å
493	V	97.2	Very high	97	Very high	8 Å²	8	38.1 Å²	38.1	5%	0.048	21%	0.206	C	C	.	.			trans	-71.4	113.6	171.6	-172.2	0	0	0	0	108.7	A288 D497 M498 V503	A288-V493 HydrophobicContact CB-CG2 4.07Å; V493-D497 HydrophobicContact CG1-CB 3.71Å; V493-M498 HydrophobicContact CB-CE 3.96Å; V493-M498 HydrophobicContact CG1-CE 3.89Å; V493-M498 HydrophobicContact CG1-CG 3.73Å; V493-V503 WeakPolarHBondContact CG2-O 3.24Å
494	S	96.4	Very high	96.9	Very high	50 Å²	50	38.4 Å²	38.4	35%	0.35	21%	0.207	S	C	.	.			trans	-75.6	164.5	-179.6	71.5	0	0	0	0	112.3	L492 K496 D497 M498	L492-S494 PolarHBondContact O-N 3.29Å; S494-K496 PolarHBondContact O-N 2.93Å; S494-K496 PolarHBondContact OG-N 2.84Å; S494-D497 VanDerWaalsContact CB-OD2 3.32Å; S494-D497 WeakPolarHBondContact CB-OD2 3.41Å; S494-D497 PolarHBondContact N-OD2 3.45Å; S494-D497 WeakPolarHBondContact O-CB 3.38Å; S494-D497 PolarHBondContact O-N 3.31Å; S494-D497 VanDerWaalsContact O-N 3.13Å; S494-D497 PolarHBondContact OG-N 2.9Å; S494-D497 VanDerWaalsContact OG-N 3.15Å; S494-D497 PolarHBondContact OG-OD2 2.82Å; S494-M498 PolarHBondContact O-N 3.14Å
495	E	96.2	Very high	96.7	Very high	178 Å²	178	37.8 Å²	37.8	83%	0.832	20%	0.204	S	C	*	.	H	α-helix	trans	-59.2	-35.2	172.3	-67	-172.7	167.5	0	0	112	M498 S499	E495-M498 PolarHBondContact O-N 2.71Å; E495-S499 WeakPolarHBondContact O-CB 3.05Å; E495-S499 PolarHBondContact O-N 3.13Å
496	K	95.7	Very high	96.3	Very high	140 Å²	140	39.9 Å²	39.9	61%	0.609	22%	0.217	S	C	*	.	H	α-helix	trans	-60.8	-48.6	174.1	-178.3	-175.5	172.2	-174	0	110.6	S494 M498 S499 E500	S494-K496 PolarHBondContact O-N 2.93Å; S494-K496 PolarHBondContact OG-N 2.84Å; K496-M498 VanDerWaalsContact C-N 3.34Å; K496-M498 PolarHBondContact O-N 2.72Å; K496-S499 WeakPolarHBondContact O-CB 3.47Å; K496-S499 PolarHBondContact O-N 3.34Å; K496-S499 VanDerWaalsContact O-N 3.12Å; K496-S499 PolarHBondContact O-OG 3.32Å; K496-E500 WeakPolarHBondContact CE-OE1 3.32Å; K496-E500 PolarHBondContact O-N 3.44Å
497	D	95.4	Very high	95.7	Very high	17 Å²	17	41.6 Å²	41.6	9%	0.091	22%	0.224	C	C	.	.	H	α-helix	trans	-58.5	-46.7	179.1	-61.2	-46.5	0	0	0	111.1	V493 S494 S499 E500 G501 R502	V493-D497 HydrophobicContact CG1-CB 3.71Å; S494-D497 VanDerWaalsContact CB-OD2 3.32Å; S494-D497 WeakPolarHBondContact CB-OD2 3.41Å; S494-D497 PolarHBondContact N-OD2 3.45Å; S494-D497 WeakPolarHBondContact O-CB 3.38Å; S494-D497 PolarHBondContact O-N 3.31Å; S494-D497 VanDerWaalsContact O-N 3.13Å; S494-D497 PolarHBondContact OG-N 2.9Å; S494-D497 VanDerWaalsContact OG-N 3.15Å; S494-D497 PolarHBondContact OG-OD2 2.82Å; D497-S499 VanDerWaalsContact C-N 3.33Å; D497-S499 PolarHBondContact O-N 3.01Å; D497-E500 CarbonylContact O-C 3.57Å; D497-E500 WeakPolarHBondContact O-CB 3.45Å; D497-E500 PolarHBondContact O-N 2.92Å; D497-E500 VanDerWaalsContact O-N 3.16Å; D497-G501 PolarHBondContact O-N 3.15Å; D497-R502 HydrophobicContact CB-CB 4.05Å; D497-R502 VanDerWaalsContact O-CB 3.29Å; D497-R502 WeakPolarHBondContact O-CB 3.37Å; D497-R502 PolarHBondContact O-N 2.99Å
498	M	95.7	Very high	95.1	Very high	33 Å²	33	43.5 Å²	43.5	16%	0.163	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-37.8	176.5	-65.8	-174.3	-165.9	0	0	112.4	K291 M292 V493 S494 E495 K496 E500 G501	K291-M498 HydrophobicContact CB-CE 4.3Å; K291-M498 HydrophobicContact CB-SD 4.39Å; K291-M498 HydrophobicContact CD-CE 3.88Å; M292-M498 HydrophobicContact CE-CB 4.28Å; M292-M498 VanDerWaalsContact CE-O 3.32Å; M292-M498 WeakPolarHBondContact CE-O 3.32Å; M292-M498 HydrophobicContact CG-CB 3.91Å; M292-M498 HydrophobicContact CG-CG 3.79Å; M292-M498 HydrophobicContact CG-SD 3.68Å; M292-M498 HydrophobicContact SD-CB 4.12Å; M292-M498 HydrophobicContact SD-CG 4.01Å; V493-M498 HydrophobicContact CB-CE 3.96Å; V493-M498 HydrophobicContact CG1-CE 3.89Å; V493-M498 HydrophobicContact CG1-CG 3.73Å; S494-M498 PolarHBondContact O-N 3.14Å; E495-M498 PolarHBondContact O-N 2.71Å; K496-M498 VanDerWaalsContact C-N 3.34Å; K496-M498 PolarHBondContact O-N 2.72Å; M498-E500 PolarHBondContact O-N 3.34Å; M498-G501 PolarHBondContact O-N 3.48Å
499	S	94.1	Very high	94.6	Very high	65 Å²	65	44.3 Å²	44.3	46%	0.455	25%	0.251	S	S	.	.	H	α-helix	trans	-63.8	-32.8	176.3	82.4	0	0	0	0	111.7	K449 E495 K496 D497 G501	K449-S499 WeakPolarHBondContact CE-O 3.43Å; K449-S499 PolarHBondContact NZ-O 3.22Å; E495-S499 WeakPolarHBondContact O-CB 3.05Å; E495-S499 PolarHBondContact O-N 3.13Å; K496-S499 WeakPolarHBondContact O-CB 3.47Å; K496-S499 PolarHBondContact O-N 3.34Å; K496-S499 VanDerWaalsContact O-N 3.12Å; K496-S499 PolarHBondContact O-OG 3.32Å; D497-S499 VanDerWaalsContact C-N 3.33Å; D497-S499 PolarHBondContact O-N 3.01Å; S499-G501 PolarHBondContact O-N 3.13Å
500	E	94.6	Very high	94.4	Very high	38 Å²	38	44.7 Å²	44.7	18%	0.178	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-0.8	173.6	-74.6	179.4	-167.6	0	0	113.4	F451 Y452 K496 D497 M498 R502	F451-E500 WeakPolarHBondContact CA-O 3.35Å; Y452-E500 HydrophobicContact CD2-CB 3.89Å; Y452-E500 HydrophobicContact CD2-CG 4.14Å; Y452-E500 HydrophobicContact CE2-CG 4.27Å; Y452-E500 PolarHBondContact N-O 3.2Å; K496-E500 WeakPolarHBondContact CE-OE1 3.32Å; K496-E500 PolarHBondContact O-N 3.44Å; D497-E500 CarbonylContact O-C 3.57Å; D497-E500 WeakPolarHBondContact O-CB 3.45Å; D497-E500 PolarHBondContact O-N 2.92Å; D497-E500 VanDerWaalsContact O-N 3.16Å; M498-E500 PolarHBondContact O-N 3.34Å; E500-R502 HydrophobicContact CB-CG 4.31Å; E500-R502 IonicContact OE2-CZ 2.66Å; E500-R502 IonicContact OE2-NE 3.05Å; E500-R502 PolarHBondContact OE2-NE 3.5Å; E500-R502 IonicContact OE2-NH2 3.68Å; E500-R502 PolarHBondContact OE2-NH2 2.9Å
501	G	94.9	Very high	94.3	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.021	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	9.1	-179.4	0	0	0	0	0	114.9	D497 M498 S499	D497-G501 PolarHBondContact O-N 3.15Å; M498-G501 PolarHBondContact O-N 3.48Å; S499-G501 PolarHBondContact O-N 3.13Å
502	R	95.7	Very high	94.2	Very high	57 Å²	57	47.8 Å²	47.8	22%	0.215	25%	0.253	C	S	.	.			trans	-81.2	138.8	178	-54.2	173	-173.4	-86.4	2.2	110.5	Y452 D497 E500	Y452-R502 VanDerWaalsContact CB-NH2 3.33Å; Y452-R502 WeakPolarHBondContact O-CG 3.29Å; D497-R502 HydrophobicContact CB-CB 4.05Å; D497-R502 VanDerWaalsContact O-CB 3.29Å; D497-R502 WeakPolarHBondContact O-CB 3.37Å; D497-R502 PolarHBondContact O-N 2.99Å; E500-R502 HydrophobicContact CB-CG 4.31Å; E500-R502 IonicContact OE2-CZ 2.66Å; E500-R502 IonicContact OE2-NE 3.05Å; E500-R502 PolarHBondContact OE2-NE 3.5Å; E500-R502 IonicContact OE2-NH2 3.68Å; E500-R502 PolarHBondContact OE2-NH2 2.9Å
503	V	97.1	Very high	94.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-108	3.1	169.1	-62.2	0	0	0	0	112.9	A288 A289 M292 F409 I434 A436 V493	A288-V503 HydrophobicContact CB-CB 4.09Å; A288-V503 WeakPolarHBondContact CB-O 3.34Å; A289-V503 HydrophobicContact CB-CG1 4.23Å; M292-V503 HydrophobicContact SD-CG1 3.84Å; F409-V503 HydrophobicContact CE1-CG2 4.38Å; F409-V503 HydrophobicContact CZ-CG2 4.13Å; I434-V503 HydrophobicContact CG2-CG1 3.39Å; A436-V503 HydrophobicContact CB-CG2 3.69Å; V493-V503 WeakPolarHBondContact CG2-O 3.24Å
504	Y	96.9	Very high	94.3	Very high	5 Å²	5	45.1 Å²	45.1	2%	0.02	24%	0.239	C	C	.	.	S	Bend	trans	-132.3	147.2	175.2	-57.6	-69.1	0	0	0	109.2	V281 A284 A436 Q455 G456 L489	V281-Y504 HydrophobicContact CG2-CD1 4.44Å; V281-Y504 HydrophobicContact CG2-CE1 3.74Å; V281-Y504 VanDerWaalsContact O-CE1 3.32Å; V281-Y504 WeakPolarHBondContact O-CE1 3.23Å; V281-Y504 PolarHBondContact O-OH 3.39Å; V281-Y504 VanDerWaalsContact O-OH 3.06Å; A284-Y504 HydrophobicContact CB-CE1 4.32Å; A436-Y504 HydrophobicContact CB-CE2 4.06Å; Q455-Y504 WeakPolarHBondContact O-CD2 3.21Å; G456-Y504 VanDerWaalsContact CA-CE2 3.44Å; G456-Y504 WeakPolarHBondContact CA-OH 3.48Å; L489-Y504 HydrophobicContact CD2-CD1 4.12Å; L489-Y504 HydrophobicContact CD2-CE1 4.44Å
505	P	94.7	Very high	94.4	Very high	5 Å²	5	43 Å²	43	3%	0.032	22%	0.224	C	C	.	.			trans	-65.8	163.1	173.5	31.1	-36.9	0	0	0	111.2	Y460 L489 L492 I513	Y460-P505 HydrophobicContact CE1-CG 4.18Å; Y460-P505 PolarHBondContact OH-O 3.31Å; L489-P505 HydrophobicContact CD1-CG 3.63Å; L492-P505 HydrophobicContact CB-CG 4.48Å; P505-I513 HydrophobicContact CB-CD1 3.88Å; P505-I513 HydrophobicContact CG-CD1 3.4Å; P505-I513 VanDerWaalsContact CG-CD1 3.4Å; P505-I513 HydrophobicContact CG-CG1 4.15Å
506	P	89.9	Confident	94.5	Very high	43 Å²	43	37.7 Å²	37.7	28%	0.279	20%	0.198	S	C	.	.			trans	-69.1	146.3	-179.8	27.4	-34.9	0	0	0	113.3	S508 S509	P506-S508 PolarHBondContact O-N 2.9Å; P506-S509 PolarHBondContact O-N 3.47Å; P506-S509 VanDerWaalsContact O-N 3.14Å
507	W	86.4	Confident	94.6	Very high	36 Å²	36	31 Å²	31	14%	0.136	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-58.8	-28.2	179	-77	109.7	0	0	0	114.7	V97 D98 M101 N457 Y460 S509 I510	V97-W507 HydrophobicContact CG1-CB 4.49Å; D98-W507 WeakPolarHBondContact OD1-CB 3.48Å; M101-W507 HydrophobicContact CE-CH2 3.96Å; M101-W507 HydrophobicContact CE-CZ2 4.01Å; M101-W507 HydrophobicContact CE-CZ3 4.31Å; M101-W507 HydrophobicContact SD-CH2 4.12Å; M101-W507 HydrophobicContact SD-CZ3 4.06Å; N457-W507 HydrophobicContact CB-CH2 3.81Å; N457-W507 HydrophobicContact CB-CZ2 3.71Å; Y460-W507 HydrophobicContact CD2-CH2 4.04Å; Y460-W507 HydrophobicContact CD2-CZ2 4.2Å; Y460-W507 HydrophobicContact CE2-CD2 4.34Å; Y460-W507 AromaticContact CE2-CE2 3.82Å; Y460-W507 AromaticContact CE2-CH2 3.76Å; Y460-W507 HydrophobicContact CE2-CH2 3.76Å; Y460-W507 AromaticContact CE2-CZ2 3.52Å; Y460-W507 HydrophobicContact CE2-CZ2 3.52Å; Y460-W507 HydrophobicContact CE2-CZ3 4.29Å; Y460-W507 AromaticContact CZ-CD2 3.93Å; Y460-W507 AromaticContact CZ-CE2 3.83Å; Y460-W507 AromaticContact CZ-CZ2 3.99Å; W507-S509 PolarHBondContact O-N 2.75Å; W507-I510 HydrophobicContact CE3-CB 4.2Å; W507-I510 HydrophobicContact CE3-CD1 3.99Å; W507-I510 HydrophobicContact CE3-CG1 3.99Å; W507-I510 HydrophobicContact CZ3-CD1 3.84Å; W507-I510 HydrophobicContact CZ3-CG1 4.01Å; W507-I510 VanDerWaalsContact O-CB 3.26Å; W507-I510 WeakPolarHBondContact O-CB 3.4Å; W507-I510 VanDerWaalsContact O-CG2 3.31Å; W507-I510 WeakPolarHBondContact O-CG2 3.26Å; W507-I510 PolarHBondContact O-N 2.99Å
508	S	85.6	Confident	94.8	Very high	102 Å²	102	30.2 Å²	30.2	71%	0.713	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-57	-19.9	176.9	58.5	0	0	0	0	113.4	P506	P506-S508 PolarHBondContact O-N 2.9Å
509	S	89.6	Confident	95	Very high	50 Å²	50	29.1 Å²	29.1	35%	0.35	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-103.2	10.2	179.6	-54.9	0	0	0	0	113.6	P506 W507 R511 D512 I513	P506-S509 PolarHBondContact O-N 3.47Å; P506-S509 VanDerWaalsContact O-N 3.14Å; W507-S509 PolarHBondContact O-N 2.75Å; S509-R511 VanDerWaalsContact C-N 3.32Å; S509-R511 PolarHBondContact O-N 2.92Å; S509-D512 PolarHBondContact O-N 3.39Å; S509-I513 WeakPolarHBondContact O-CG1 3.45Å; S509-I513 PolarHBondContact O-N 2.99Å
510	I	94.1	Very high	95.2	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-58.5	-36.3	-168.8	-167.6	61.8	0	0	0	114.6	L185 Y460 W507 I513 S514	L185-I510 HydrophobicContact CB-CG1 4.1Å; L185-I510 HydrophobicContact CD2-CG1 4.22Å; L185-I510 HydrophobicContact CD2-CG2 3.97Å; Y460-I510 HydrophobicContact CD1-CD1 3.5Å; Y460-I510 HydrophobicContact CE1-CD1 3.8Å; Y460-I510 HydrophobicContact CG-CD1 4.19Å; W507-I510 HydrophobicContact CE3-CB 4.2Å; W507-I510 HydrophobicContact CE3-CD1 3.99Å; W507-I510 HydrophobicContact CE3-CG1 3.99Å; W507-I510 HydrophobicContact CZ3-CD1 3.84Å; W507-I510 HydrophobicContact CZ3-CG1 4.01Å; W507-I510 VanDerWaalsContact O-CB 3.26Å; W507-I510 WeakPolarHBondContact O-CB 3.4Å; W507-I510 VanDerWaalsContact O-CG2 3.31Å; W507-I510 WeakPolarHBondContact O-CG2 3.26Å; W507-I510 PolarHBondContact O-N 2.99Å; I510-I513 PolarHBondContact O-N 3.35Å; I510-S514 WeakPolarHBondContact O-CB 3.26Å; I510-S514 PolarHBondContact O-N 3.32Å; I510-S514 PolarHBondContact O-OG 3.49Å
511	R	94.5	Very high	95.4	Very high	63 Å²	63	25.5 Å²	25.5	24%	0.238	14%	0.141	C	C	.	.	H	α-helix	trans	-67.7	-40.7	175.5	-69.8	-168	72.1	175.8	3.2	112.5	A184 L185 S509 S514 V515 Y549	A184-R511 WeakPolarHBondContact O-CD 3.47Å; A184-R511 WeakPolarHBondContact O-CG 3.37Å; L185-R511 VanDerWaalsContact O-CA 3.22Å; L185-R511 WeakPolarHBondContact O-CA 3.22Å; L185-R511 WeakPolarHBondContact O-CG 3.34Å; S509-R511 VanDerWaalsContact C-N 3.32Å; S509-R511 PolarHBondContact O-N 2.92Å; R511-S514 PolarHBondContact O-N 3.24Å; R511-V515 WeakPolarHBondContact O-CG2 3.47Å; R511-V515 PolarHBondContact O-N 3.5Å; R511-Y549 PolarHBondContact NH2-O 2.86Å
512	D	96.3	Very high	95.5	Very high	53 Å²	53	25.5 Å²	25.5	28%	0.283	14%	0.141	S	C	.	.	H	α-helix	trans	-68	-41.6	176.6	-171	66.5	0	0	0	111.5	S509 S514 V515 K516 R545	S509-D512 PolarHBondContact O-N 3.39Å; D512-S514 VanDerWaalsContact C-N 3.33Å; D512-S514 PolarHBondContact O-N 3.3Å; D512-V515 PolarHBondContact O-N 2.93Å; D512-K516 WeakPolarHBondContact O-CG 3.21Å; D512-K516 PolarHBondContact O-N 3.21Å; D512-K516 WeakPolarHBondContact OD2-CE 3.23Å; D512-K516 IonicContact OD2-NZ 3.28Å; D512-K516 PolarHBondContact OD2-NZ 3.25Å; D512-R545 IonicContact OD1-CZ 2.62Å; D512-R545 IonicContact OD1-NH1 2.69Å; D512-R545 IonicContact OD1-NH2 3.27Å; D512-R545 PolarHBondContact OD1-NH2 3.45Å
513	I	97.6	Very high	95.7	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-57	-48.4	173	-67.6	159	0	0	0	110.2	Y460 L489 L492 P505 S509 I510 V515 K516 I517	Y460-I513 HydrophobicContact CD1-CD1 4.41Å; Y460-I513 HydrophobicContact CD1-CG2 4.49Å; Y460-I513 HydrophobicContact CE1-CD1 4.14Å; L489-I513 HydrophobicContact CD1-CG2 3.74Å; L492-I513 HydrophobicContact CD1-CB 4.28Å; L492-I513 HydrophobicContact CD1-CG1 3.95Å; L492-I513 HydrophobicContact CD1-CG2 4.2Å; P505-I513 HydrophobicContact CB-CD1 3.88Å; P505-I513 HydrophobicContact CG-CD1 3.4Å; P505-I513 VanDerWaalsContact CG-CD1 3.4Å; P505-I513 HydrophobicContact CG-CG1 4.15Å; S509-I513 WeakPolarHBondContact O-CG1 3.45Å; S509-I513 PolarHBondContact O-N 2.99Å; I510-I513 PolarHBondContact O-N 3.35Å; I513-V515 VanDerWaalsContact C-N 3.35Å; I513-V515 PolarHBondContact O-N 2.81Å; I513-K516 PolarHBondContact O-N 3.01Å; I513-I517 HydrophobicContact CG2-CD1 3.82Å; I513-I517 HydrophobicContact CG2-CG1 4.47Å; I513-I517 WeakPolarHBondContact O-CG1 3.14Å; I513-I517 PolarHBondContact O-N 2.72Å
514	S	98.4	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.5	-39.9	-179.6	-64.4	0	0	0	0	112.6	L185 G464 I510 R511 D512 I517 A518	L185-S514 WeakPolarHBondContact O-CB 3.28Å; L185-S514 PolarHBondContact O-OG 2.8Å; G464-S514 WeakPolarHBondContact CA-O 3.31Å; I510-S514 WeakPolarHBondContact O-CB 3.26Å; I510-S514 PolarHBondContact O-N 3.32Å; I510-S514 PolarHBondContact O-OG 3.49Å; R511-S514 PolarHBondContact O-N 3.24Å; D512-S514 VanDerWaalsContact C-N 3.33Å; D512-S514 PolarHBondContact O-N 3.3Å; S514-I517 PolarHBondContact O-N 3.16Å; S514-A518 VanDerWaalsContact O-CB 3.25Å; S514-A518 WeakPolarHBondContact O-CB 3.43Å; S514-A518 PolarHBondContact O-N 3.17Å
515	V	98.5	Very high	95.8	Very high	6 Å²	6	26.3 Å²	26.3	4%	0.036	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-44	175	165.7	0	0	0	0	111.4	R511 D512 I513 A518 A519 E541 I544 R545 V548	R511-V515 WeakPolarHBondContact O-CG2 3.47Å; R511-V515 PolarHBondContact O-N 3.5Å; D512-V515 PolarHBondContact O-N 2.93Å; I513-V515 VanDerWaalsContact C-N 3.35Å; I513-V515 PolarHBondContact O-N 2.81Å; V515-A518 WeakPolarHBondContact O-CB 3.34Å; V515-A518 PolarHBondContact O-N 3.29Å; V515-A519 WeakPolarHBondContact O-CB 3.44Å; V515-A519 PolarHBondContact O-N 3.02Å; V515-E541 HydrophobicContact CG1-CG 3.79Å; V515-I544 HydrophobicContact CB-CG2 4.38Å; V515-I544 HydrophobicContact CG1-CG2 4.03Å; V515-I544 HydrophobicContact CG2-CG2 4.22Å; V515-R545 HydrophobicContact CG1-CG 3.69Å; V515-R545 HydrophobicContact CG2-CG 4.46Å; V515-V548 HydrophobicContact CG2-CG1 4.05Å
516	K	98.6	Very high	96	Very high	65 Å²	65	27.1 Å²	27.1	28%	0.283	15%	0.152	S	C	.	.	H	α-helix	trans	-65.7	-41	178.4	-72.2	173.9	174.9	159.8	0	112.3	V488 L492 D512 I513 A520	V488-K516 HydrophobicContact CG1-CB 4.08Å; L492-K516 HydrophobicContact CD1-CB 4.34Å; L492-K516 HydrophobicContact CD1-CD 3.91Å; L492-K516 HydrophobicContact CD2-CD 3.72Å; L492-K516 HydrophobicContact CG-CD 4.46Å; D512-K516 WeakPolarHBondContact O-CG 3.21Å; D512-K516 PolarHBondContact O-N 3.21Å; D512-K516 WeakPolarHBondContact OD2-CE 3.23Å; D512-K516 IonicContact OD2-NZ 3.28Å; D512-K516 PolarHBondContact OD2-NZ 3.25Å; I513-K516 PolarHBondContact O-N 3.01Å; K516-A520 WeakPolarHBondContact O-CB 3.43Å; K516-A520 PolarHBondContact O-N 3.27Å; K516-A520 VanDerWaalsContact O-N 3.09Å
517	I	98.8	Very high	96.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.1	-48.2	172.5	-70.6	171.4	0	0	0	109.9	Y460 I461 V465 A485 V488 L489 I513 S514 A519 A520 V521	Y460-I517 WeakPolarHBondContact O-CD1 3.36Å; I461-I517 HydrophobicContact CD1-CD1 4.48Å; V465-I517 HydrophobicContact CG2-CG2 4.2Å; A485-I517 HydrophobicContact CB-CG2 3.65Å; V488-I517 HydrophobicContact CB-CG1 4.16Å; V488-I517 HydrophobicContact CG1-CG1 3.82Å; L489-I517 HydrophobicContact CB-CD1 4.45Å; I513-I517 HydrophobicContact CG2-CD1 3.82Å; I513-I517 HydrophobicContact CG2-CG1 4.47Å; I513-I517 WeakPolarHBondContact O-CG1 3.14Å; I513-I517 PolarHBondContact O-N 2.72Å; S514-I517 PolarHBondContact O-N 3.16Å; I517-A519 VanDerWaalsContact C-N 3.35Å; I517-A519 PolarHBondContact O-N 3.38Å; I517-A520 PolarHBondContact O-N 3.24Å; I517-V521 HydrophobicContact CG2-CG2 4.16Å; I517-V521 WeakPolarHBondContact O-CB 3.49Å; I517-V521 VanDerWaalsContact O-CG2 3.3Å; I517-V521 WeakPolarHBondContact O-CG2 3.33Å; I517-V521 PolarHBondContact O-N 3.1Å
518	A	98.8	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-44.1	179.8	0	0	0	0	0	112.4	G464 L467 G468 S514 V515 V521 A522 I544	G464-A518 VanDerWaalsContact O-CA 3.28Å; G464-A518 WeakPolarHBondContact O-CA 3.4Å; G464-A518 VanDerWaalsContact O-CB 3.32Å; G464-A518 WeakPolarHBondContact O-CB 3.42Å; L467-A518 HydrophobicContact CB-CB 3.92Å; L467-A518 HydrophobicContact CD2-CB 3.84Å; L467-A518 HydrophobicContact CG-CB 3.85Å; G468-A518 WeakPolarHBondContact CA-O 3.44Å; S514-A518 VanDerWaalsContact O-CB 3.25Å; S514-A518 WeakPolarHBondContact O-CB 3.43Å; S514-A518 PolarHBondContact O-N 3.17Å; V515-A518 WeakPolarHBondContact O-CB 3.34Å; V515-A518 PolarHBondContact O-N 3.29Å; A518-V521 PolarHBondContact O-N 2.9Å; A518-A522 VanDerWaalsContact O-CB 3.29Å; A518-A522 WeakPolarHBondContact O-CB 3.39Å; A518-A522 PolarHBondContact O-N 3.22Å; A518-I544 HydrophobicContact CB-CD1 4.17Å; A518-I544 HydrophobicContact CB-CG1 4.2Å; A518-I544 HydrophobicContact CB-CG2 3.89Å
519	A	98.8	Very high	97.4	Very high	11 Å²	11	31.3 Å²	31.3	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-43.4	177.5	0	0	0	0	0	111.9	V515 I517 A522 D523 K540 E541 I544	V515-A519 WeakPolarHBondContact O-CB 3.44Å; V515-A519 PolarHBondContact O-N 3.02Å; I517-A519 VanDerWaalsContact C-N 3.35Å; I517-A519 PolarHBondContact O-N 3.38Å; A519-A522 PolarHBondContact O-N 3.31Å; A519-D523 WeakPolarHBondContact O-CB 3.47Å; A519-D523 PolarHBondContact O-N 2.83Å; A519-K540 HydrophobicContact CB-CB 4.43Å; A519-E541 HydrophobicContact CB-CB 4.11Å; A519-E541 HydrophobicContact CB-CG 4.42Å; A519-I544 HydrophobicContact CB-CG1 4.46Å
520	A	98.7	Very high	97.8	Very high	24 Å²	24	30.7 Å²	30.7	20%	0.198	16%	0.164	C	C	.	.	H	α-helix	trans	-69.3	-38.4	178.1	0	0	0	0	0	112.9	V484 V488 K516 I517 D523 H524	V484-A520 HydrophobicContact CG1-CB 3.74Å; V488-A520 HydrophobicContact CG2-CB 3.52Å; K516-A520 WeakPolarHBondContact O-CB 3.43Å; K516-A520 PolarHBondContact O-N 3.27Å; K516-A520 VanDerWaalsContact O-N 3.09Å; I517-A520 PolarHBondContact O-N 3.24Å; A520-D523 PolarHBondContact O-N 2.89Å; A520-H524 WeakPolarHBondContact O-CB 3.34Å; A520-H524 PolarHBondContact O-N 3.18Å
521	V	98.7	Very high	98	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-45.6	173.7	168.5	0	0	0	0	110.2	V465 A481 I517 A518 H524 C525	V465-V521 HydrophobicContact CG2-CG2 4.37Å; A481-V521 HydrophobicContact CB-CG1 4.28Å; I517-V521 HydrophobicContact CG2-CG2 4.16Å; I517-V521 WeakPolarHBondContact O-CB 3.49Å; I517-V521 VanDerWaalsContact O-CG2 3.3Å; I517-V521 WeakPolarHBondContact O-CG2 3.33Å; I517-V521 PolarHBondContact O-N 3.1Å; A518-V521 PolarHBondContact O-N 2.9Å; V521-H524 WeakPolarHBondContact O-CB 3.37Å; V521-H524 PolarHBondContact O-N 2.93Å; V521-C525 PolarHBondContact O-N 3.33Å; V521-C525 PolarHBondContact O-SG 3.13Å; V521-C525 VanDerWaalsContact O-SG 3.37Å
522	A	98.6	Very high	98.1	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-46.4	175.8	0	0	0	0	0	111.7	C472 A518 A519 H524 C525 Y526	C472-A522 HydrophobicContact CB-CB 3.95Å; A518-A522 VanDerWaalsContact O-CB 3.29Å; A518-A522 WeakPolarHBondContact O-CB 3.39Å; A518-A522 PolarHBondContact O-N 3.22Å; A519-A522 PolarHBondContact O-N 3.31Å; A522-H524 VanDerWaalsContact C-N 3.33Å; A522-H524 PolarHBondContact O-N 3.22Å; A522-C525 WeakPolarHBondContact O-CB 3.49Å; A522-C525 PolarHBondContact O-N 3.28Å; A522-C525 VanDerWaalsContact O-N 3.12Å; A522-Y526 WeakPolarHBondContact O-CD2 3.48Å; A522-Y526 PolarHBondContact O-N 2.89Å
523	D	98.5	Very high	98.1	Very high	48 Å²	48	27.8 Å²	27.8	26%	0.257	16%	0.16	S	C	.	.	H	α-helix	trans	-58.3	-42.7	175.4	175.3	74.5	0	0	0	112.1	A519 A520 C525 Y526 K527	A519-D523 WeakPolarHBondContact O-CB 3.47Å; A519-D523 PolarHBondContact O-N 2.83Å; A520-D523 PolarHBondContact O-N 2.89Å; D523-C525 PolarHBondContact O-N 2.89Å; D523-Y526 PolarHBondContact O-N 3.22Å; D523-K527 VanDerWaalsContact CG-NZ 3.34Å; D523-K527 WeakPolarHBondContact O-CB 3.49Å; D523-K527 WeakPolarHBondContact O-CG 3.49Å; D523-K527 PolarHBondContact O-N 3.06Å; D523-K527 VanDerWaalsContact OD1-CE 3.23Å; D523-K527 WeakPolarHBondContact OD1-CE 3.41Å; D523-K527 IonicContact OD1-NZ 3.58Å; D523-K527 PolarHBondContact OD1-NZ 3.22Å; D523-K527 VanDerWaalsContact OD2-CE 3.28Å; D523-K527 WeakPolarHBondContact OD2-CE 3.49Å; D523-K527 IonicContact OD2-NZ 3.44Å; D523-K527 PolarHBondContact OD2-NZ 3.3Å
524	H	98.2	Very high	98.1	Very high	30 Å²	30	35 Å²	35	14%	0.139	19%	0.189	C	C	.	.	H	α-helix	trans	-60.3	-44.4	173.2	178.4	61.1	0	0	0	112.1	R480 V484 A520 V521 A522 K527 T528	R480-H524 WeakPolarHBondContact CG-CE1 3.47Å; R480-H524 WeakPolarHBondContact CG-NE2 3.14Å; V484-H524 HydrophobicContact CG2-CB 4.27Å; A520-H524 WeakPolarHBondContact O-CB 3.34Å; A520-H524 PolarHBondContact O-N 3.18Å; V521-H524 WeakPolarHBondContact O-CB 3.37Å; V521-H524 PolarHBondContact O-N 2.93Å; A522-H524 VanDerWaalsContact C-N 3.33Å; A522-H524 PolarHBondContact O-N 3.22Å; H524-K527 PolarHBondContact O-N 2.85Å; H524-T528 VanDerWaalsContact CE1-CG2 3.45Å; H524-T528 WeakPolarHBondContact CE1-CG2 3.49Å; H524-T528 WeakPolarHBondContact O-CB 3.48Å; H524-T528 WeakPolarHBondContact O-CG2 3.24Å; H524-T528 PolarHBondContact O-N 3.5Å; H524-T528 PolarHBondContact O-OG1 2.99Å
525	C	98.3	Very high	98	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-39.8	177.9	-71.7	0	0	0	0	112.5	T474 V521 A522 D523 T528 G529 L530 A531	T474-C525 PolarHBondContact OG1-SG 3.01Å; T474-C525 VanDerWaalsContact OG1-SG 3.35Å; V521-C525 PolarHBondContact O-N 3.33Å; V521-C525 PolarHBondContact O-SG 3.13Å; V521-C525 VanDerWaalsContact O-SG 3.37Å; A522-C525 WeakPolarHBondContact O-CB 3.49Å; A522-C525 PolarHBondContact O-N 3.28Å; A522-C525 VanDerWaalsContact O-N 3.12Å; D523-C525 PolarHBondContact O-N 2.89Å; C525-T528 PolarHBondContact O-OG1 3.14Å; C525-G529 PolarHBondContact O-N 3.27Å; C525-L530 HydrophobicContact CB-CB 4.27Å; C525-L530 PolarHBondContact O-N 3.08Å; C525-A531 HydrophobicContact CB-CB 4.09Å; C525-A531 PolarHBondContact O-N 2.92Å; C525-A531 VanDerWaalsContact O-N 3.11Å
526	Y	98.2	Very high	98	Very high	22 Å²	22	44.6 Å²	44.6	9%	0.086	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-49.3	173.5	-78.7	-69.5	0	0	0	111.6	C472 A522 D523 T528 G529 A531 C533 E536 P537	C472-Y526 HydrophobicContact CB-CE2 4.06Å; A522-Y526 WeakPolarHBondContact O-CD2 3.48Å; A522-Y526 PolarHBondContact O-N 2.89Å; D523-Y526 PolarHBondContact O-N 3.22Å; Y526-T528 PolarHBondContact O-N 3.42Å; Y526-G529 PolarHBondContact O-N 3.06Å; Y526-A531 HydrophobicContact CD1-CB 3.49Å; Y526-A531 VanDerWaalsContact CD1-CB 3.49Å; Y526-A531 HydrophobicContact CD2-CB 4.19Å; Y526-A531 HydrophobicContact CE1-CB 3.57Å; Y526-A531 HydrophobicContact CE2-CB 4.26Å; Y526-A531 HydrophobicContact CG-CB 3.8Å; Y526-C533 WeakPolarHBondContact CE1-O 3.34Å; Y526-C533 PolarHBondContact OH-O 3.22Å; Y526-C533 VanDerWaalsContact OH-O 3.06Å; Y526-E536 HydrophobicContact CD1-CB 3.79Å; Y526-E536 HydrophobicContact CD1-CG 3.57Å; Y526-E536 HydrophobicContact CD2-CG 3.99Å; Y526-E536 HydrophobicContact CE1-CB 3.65Å; Y526-E536 HydrophobicContact CE1-CG 3.73Å; Y526-E536 HydrophobicContact CE2-CG 4.14Å; Y526-E536 HydrophobicContact CG-CB 4.46Å; Y526-E536 HydrophobicContact CG-CG 3.73Å; Y526-P537 WeakPolarHBondContact OH-CD 3.4Å
527	K	97.8	Very high	98	Very high	157 Å²	157	42.4 Å²	42.4	68%	0.683	24%	0.235	S	C	*	.	H	α-helix	trans	-61.2	-28.4	-179.7	-75.2	172.7	178.5	164.2	0	114.2	D523 H524	D523-K527 VanDerWaalsContact CG-NZ 3.34Å; D523-K527 WeakPolarHBondContact O-CB 3.49Å; D523-K527 WeakPolarHBondContact O-CG 3.49Å; D523-K527 PolarHBondContact O-N 3.06Å; D523-K527 VanDerWaalsContact OD1-CE 3.23Å; D523-K527 WeakPolarHBondContact OD1-CE 3.41Å; D523-K527 IonicContact OD1-NZ 3.58Å; D523-K527 PolarHBondContact OD1-NZ 3.22Å; D523-K527 VanDerWaalsContact OD2-CE 3.28Å; D523-K527 WeakPolarHBondContact OD2-CE 3.49Å; D523-K527 IonicContact OD2-NZ 3.44Å; D523-K527 PolarHBondContact OD2-NZ 3.3Å; H524-K527 PolarHBondContact O-N 2.85Å
528	T	97.1	Very high	97.9	Very high	69 Å²	69	47.5 Å²	47.5	42%	0.423	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	2.3	179.3	54	0	0	0	0	113.5	H524 C525 Y526 L530	H524-T528 VanDerWaalsContact CE1-CG2 3.45Å; H524-T528 WeakPolarHBondContact CE1-CG2 3.49Å; H524-T528 WeakPolarHBondContact O-CB 3.48Å; H524-T528 WeakPolarHBondContact O-CG2 3.24Å; H524-T528 PolarHBondContact O-N 3.5Å; H524-T528 PolarHBondContact O-OG1 2.99Å; C525-T528 PolarHBondContact O-OG1 3.14Å; Y526-T528 PolarHBondContact O-N 3.42Å; T528-L530 VanDerWaalsContact C-N 3.25Å; T528-L530 PolarHBondContact O-N 2.82Å
529	G	97.1	Very high	97.9	Very high	43 Å²	43	51.5 Å²	51.5	44%	0.443	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	18.1	-179.4	0	0	0	0	0	114.5	C525 Y526	C525-G529 PolarHBondContact O-N 3.27Å; Y526-G529 PolarHBondContact O-N 3.06Å
530	L	97.2	Very high	97.9	Very high	37 Å²	37	52.7 Å²	52.7	19%	0.194	30%	0.302	C	S	.	.			trans	-87.9	-23.3	178.9	-67.3	176.5	0	0	0	113.3	T474 R475 P478 C525 T528	T474-L530 WeakPolarHBondContact CA-O 3.38Å; R475-L530 PolarHBondContact N-O 3.02Å; P478-L530 HydrophobicContact CG-CD1 3.83Å; C525-L530 HydrophobicContact CB-CB 4.27Å; C525-L530 PolarHBondContact O-N 3.08Å; T528-L530 VanDerWaalsContact C-N 3.25Å; T528-L530 PolarHBondContact O-N 2.82Å
531	A	98.2	Very high	97.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.307	C	S	.	.			trans	-68.4	139.9	177.7	0	0	0	0	0	112.1	C472 C525 Y526 Y534	C472-A531 HydrophobicContact CB-CB 4.1Å; C525-A531 HydrophobicContact CB-CB 4.09Å; C525-A531 PolarHBondContact O-N 2.92Å; C525-A531 VanDerWaalsContact O-N 3.11Å; Y526-A531 HydrophobicContact CD1-CB 3.49Å; Y526-A531 VanDerWaalsContact CD1-CB 3.49Å; Y526-A531 HydrophobicContact CD2-CB 4.19Å; Y526-A531 HydrophobicContact CE1-CB 3.57Å; Y526-A531 HydrophobicContact CE2-CB 4.26Å; Y526-A531 HydrophobicContact CG-CB 3.8Å; A531-Y534 WeakPolarHBondContact O-CE2 3.35Å; A531-Y534 PolarHBondContact O-OH 2.93Å
532	A	97.4	Very high	97.8	Very high	37 Å²	37	61.1 Å²	61.1	31%	0.306	34%	0.337	S	S	.	.			trans	-117.5	-4.7	178	0	0	0	0	0	114.1	C472 M473 Y534	C472-A532 PolarHBondContact O-N 3.36Å; M473-A532 HydrophobicContact CB-CB 4.1Å; M473-A532 WeakPolarHBondContact O-CB 3.45Å; M473-A532 PolarHBondContact O-N 3.47Å; A532-Y534 WeakPolarHBondContact O-CD2 3.24Å
533	C	97.3	Very high	97.8	Very high	25 Å²	25	63.6 Å²	63.6	17%	0.169	35%	0.347	C	S	.	.			trans	-76.5	124.5	170.2	-171.7	0	0	0	0	109.4	C472 M473 Y526	C472-C533 PolarHBondContact O-N 3.19Å; M473-C533 HydrophobicContact CB-CB 4.38Å; M473-C533 HydrophobicContact CG-CB 4.19Å; M473-C533 HydrophobicContact SD-CB 4.23Å; Y526-C533 WeakPolarHBondContact CE1-O 3.34Å; Y526-C533 PolarHBondContact OH-O 3.22Å; Y526-C533 VanDerWaalsContact OH-O 3.06Å
534	Y	96.7	Very high	97.8	Very high	155 Å²	155	61.3 Å²	61.3	61%	0.608	34%	0.335	S	S	*	.	S	Bend	trans	-135.3	146.9	179.7	-73.4	-85.9	0	0	0	111.4	A531 A532	A531-Y534 WeakPolarHBondContact O-CE2 3.35Å; A531-Y534 PolarHBondContact O-OH 2.93Å; A532-Y534 WeakPolarHBondContact O-CD2 3.24Å
535	P	97.2	Very high	97.7	Very high	115 Å²	115	64.7 Å²	64.7	75%	0.747	35%	0.347	S	S	*	.	S	Bend	cis	-69.4	159	-3.7	31	-36	0	0	0	112.8	P537	P535-P537 WeakPolarHBondContact O-CD 3.5Å
536	E	98.3	Very high	97.7	Very high	93 Å²	93	69 Å²	69	44%	0.435	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-59.4	126.1	174.1	178.5	176.9	172.4	0	0	109.8	Y526 A538 K540	Y526-E536 HydrophobicContact CD1-CB 3.79Å; Y526-E536 HydrophobicContact CD1-CG 3.57Å; Y526-E536 HydrophobicContact CD2-CG 3.99Å; Y526-E536 HydrophobicContact CE1-CB 3.65Å; Y526-E536 HydrophobicContact CE1-CG 3.73Å; Y526-E536 HydrophobicContact CE2-CG 4.14Å; Y526-E536 HydrophobicContact CG-CB 4.46Å; Y526-E536 HydrophobicContact CG-CG 3.73Å; E536-A538 PolarHBondContact O-N 3.34Å; E536-K540 WeakPolarHBondContact OE1-CE 3.33Å; E536-K540 IonicContact OE1-NZ 2.74Å; E536-K540 PolarHBondContact OE1-NZ 3.3Å
537	P	97.8	Very high	97.6	Very high	19 Å²	19	69.7 Å²	69.7	12%	0.123	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-59.9	137.6	176.5	-22.8	31.7	0	0	0	111.3	Y526 P535 K540 F543	Y526-P537 WeakPolarHBondContact OH-CD 3.4Å; P535-P537 WeakPolarHBondContact O-CD 3.5Å; P537-K540 WeakPolarHBondContact O-CD 3.23Å; P537-K540 VanDerWaalsContact O-CE 3.31Å; P537-K540 WeakPolarHBondContact O-CE 3.45Å; P537-K540 PolarHBondContact O-NZ 3.12Å; P537-F543 HydrophobicContact CB-CB 3.69Å; P537-F543 HydrophobicContact CB-CD1 4.32Å; P537-F543 HydrophobicContact CB-CD2 4.38Å; P537-F543 HydrophobicContact CB-CG 3.89Å; P537-F543 HydrophobicContact CG-CB 3.89Å; P537-F543 HydrophobicContact CG-CD1 3.57Å; P537-F543 HydrophobicContact CG-CD2 3.91Å; P537-F543 HydrophobicContact CG-CE1 4.01Å; P537-F543 HydrophobicContact CG-CE2 4.32Å; P537-F543 HydrophobicContact CG-CG 3.5Å; P537-F543 VanDerWaalsContact CG-CG 3.5Å; P537-F543 HydrophobicContact CG-CZ 4.36Å
538	A	97.5	Very high	97.6	Very high	106 Å²	106	64 Å²	64	88%	0.876	36%	0.36	S	S	*	.	S	Bend	trans	-62.4	-51.7	175.4	0	0	0	0	0	110.6	E536	E536-A538 PolarHBondContact O-N 3.34Å
539	D	98.1	Very high	97.6	Very high	84 Å²	84	61.1 Å²	61.1	45%	0.449	34%	0.342	S	S	.	.	S	Bend	trans	-105.6	110.9	170.6	-169.9	-32.3	0	0	0	109.7	E541 E542 F543	D539-E541 WeakPolarHBondContact OD1-CA 3.48Å; D539-E541 PolarHBondContact OD1-N 3.29Å; D539-E542 HydrophobicContact CB-CB 3.9Å; D539-E542 PolarHBondContact OD1-N 3.17Å; D539-F543 WeakPolarHBondContact O-CB 3.44Å; D539-F543 PolarHBondContact O-N 2.78Å; D539-F543 VanDerWaalsContact O-N 3.16Å
540	K	98.1	Very high	97.4	Very high	37 Å²	37	62.8 Å²	62.8	16%	0.161	34%	0.34	C	S	.	.	H	α-helix	trans	-71.7	-36.2	-179.5	-74.2	68.2	171.2	165.4	0	110.5	A519 E536 P537 F543 I544	A519-K540 HydrophobicContact CB-CB 4.43Å; E536-K540 WeakPolarHBondContact OE1-CE 3.33Å; E536-K540 IonicContact OE1-NZ 2.74Å; E536-K540 PolarHBondContact OE1-NZ 3.3Å; P537-K540 WeakPolarHBondContact O-CD 3.23Å; P537-K540 VanDerWaalsContact O-CE 3.31Å; P537-K540 WeakPolarHBondContact O-CE 3.45Å; P537-K540 PolarHBondContact O-NZ 3.12Å; K540-F543 PolarHBondContact O-N 2.86Å; K540-I544 VanDerWaalsContact O-CG1 3.24Å; K540-I544 WeakPolarHBondContact O-CG1 3.4Å; K540-I544 PolarHBondContact O-N 3.19Å
541	E	98.2	Very high	97.4	Very high	66 Å²	66	63.2 Å²	63.2	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-70.6	-44.9	-177.9	-167.4	-179.6	134.9	0	0	110.7	V515 A519 D539 F543 I544 R545	V515-E541 HydrophobicContact CG1-CG 3.79Å; A519-E541 HydrophobicContact CB-CB 4.11Å; A519-E541 HydrophobicContact CB-CG 4.42Å; D539-E541 WeakPolarHBondContact OD1-CA 3.48Å; D539-E541 PolarHBondContact OD1-N 3.29Å; E541-F543 VanDerWaalsContact C-N 3.31Å; E541-F543 PolarHBondContact O-N 2.87Å; E541-I544 PolarHBondContact O-N 3.34Å; E541-R545 WeakPolarHBondContact O-CG 3.22Å; E541-R545 PolarHBondContact O-N 3.22Å; E541-R545 IonicContact OE1-CZ 2.76Å; E541-R545 VanDerWaalsContact OE1-CZ 3.27Å; E541-R545 IonicContact OE1-NE 3.9Å; E541-R545 PolarHBondContact OE1-NE 3.43Å; E541-R545 IonicContact OE1-NH2 3.84Å; E541-R545 PolarHBondContact OE1-NH2 3.18Å
542	E	97.9	Very high	97.2	Very high	137 Å²	137	66.4 Å²	66.4	64%	0.64	36%	0.355	S	S	*	.	H	α-helix	trans	-59.2	-44.1	174.3	-172.2	178.4	-171.2	0	0	111.2	D539 I544 R545 S546	D539-E542 HydrophobicContact CB-CB 3.9Å; D539-E542 PolarHBondContact OD1-N 3.17Å; E542-I544 PolarHBondContact O-N 3.47Å; E542-R545 PolarHBondContact O-N 3.38Å; E542-S546 PolarHBondContact O-N 3.27Å
543	F	98.2	Very high	97.2	Very high	55 Å²	55	66.2 Å²	66.2	24%	0.241	35%	0.346	C	S	.	.	H	α-helix	trans	-61.4	-42.8	175.7	173.8	-105.9	0	0	0	113	C471 P537 D539 K540 E541 S546 N547	C471-F543 HydrophobicContact CB-CE1 3.93Å; C471-F543 WeakPolarHBondContact O-CE1 3.5Å; P537-F543 HydrophobicContact CB-CB 3.69Å; P537-F543 HydrophobicContact CB-CD1 4.32Å; P537-F543 HydrophobicContact CB-CD2 4.38Å; P537-F543 HydrophobicContact CB-CG 3.89Å; P537-F543 HydrophobicContact CG-CB 3.89Å; P537-F543 HydrophobicContact CG-CD1 3.57Å; P537-F543 HydrophobicContact CG-CD2 3.91Å; P537-F543 HydrophobicContact CG-CE1 4.01Å; P537-F543 HydrophobicContact CG-CE2 4.32Å; P537-F543 HydrophobicContact CG-CG 3.5Å; P537-F543 VanDerWaalsContact CG-CG 3.5Å; P537-F543 HydrophobicContact CG-CZ 4.36Å; D539-F543 WeakPolarHBondContact O-CB 3.44Å; D539-F543 PolarHBondContact O-N 2.78Å; D539-F543 VanDerWaalsContact O-N 3.16Å; K540-F543 PolarHBondContact O-N 2.86Å; E541-F543 VanDerWaalsContact C-N 3.31Å; E541-F543 PolarHBondContact O-N 2.87Å; F543-S546 PolarHBondContact O-N 3.34Å; F543-S546 PolarHBondContact O-OG 3.36Å; F543-N547 PolarHBondContact O-ND2 3.13Å
544	I	98.4	Very high	97	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-48.1	173.9	-69.3	-59	0	0	0	109.7	L467 C471 V515 A518 A519 K540 E541 E542 S546 N547 V548	L467-I544 HydrophobicContact CD2-CG2 3.53Å; L467-I544 HydrophobicContact CG-CG2 4.01Å; C471-I544 HydrophobicContact CB-CD1 3.3Å; V515-I544 HydrophobicContact CB-CG2 4.38Å; V515-I544 HydrophobicContact CG1-CG2 4.03Å; V515-I544 HydrophobicContact CG2-CG2 4.22Å; A518-I544 HydrophobicContact CB-CD1 4.17Å; A518-I544 HydrophobicContact CB-CG1 4.2Å; A518-I544 HydrophobicContact CB-CG2 3.89Å; A519-I544 HydrophobicContact CB-CG1 4.46Å; K540-I544 VanDerWaalsContact O-CG1 3.24Å; K540-I544 WeakPolarHBondContact O-CG1 3.4Å; K540-I544 PolarHBondContact O-N 3.19Å; E541-I544 PolarHBondContact O-N 3.34Å; E542-I544 PolarHBondContact O-N 3.47Å; I544-S546 VanDerWaalsContact C-N 3.27Å; I544-S546 PolarHBondContact O-N 3.46Å; I544-N547 PolarHBondContact O-N 3.26Å; I544-V548 PolarHBondContact O-N 2.66Å
545	R	97.7	Very high	96.8	Very high	101 Å²	101	62.4 Å²	62.4	38%	0.381	34%	0.335	S	S	.	.	H	α-helix	trans	-60.3	-33.8	-179.9	-71.6	-179.8	-173.7	-74.9	1.3	112.8	D512 V515 E541 E542 N547 V548	D512-R545 IonicContact OD1-CZ 2.62Å; D512-R545 IonicContact OD1-NH1 2.69Å; D512-R545 IonicContact OD1-NH2 3.27Å; D512-R545 PolarHBondContact OD1-NH2 3.45Å; V515-R545 HydrophobicContact CG1-CG 3.69Å; V515-R545 HydrophobicContact CG2-CG 4.46Å; E541-R545 WeakPolarHBondContact O-CG 3.22Å; E541-R545 PolarHBondContact O-N 3.22Å; E541-R545 IonicContact OE1-CZ 2.76Å; E541-R545 VanDerWaalsContact OE1-CZ 3.27Å; E541-R545 IonicContact OE1-NE 3.9Å; E541-R545 PolarHBondContact OE1-NE 3.43Å; E541-R545 IonicContact OE1-NH2 3.84Å; E541-R545 PolarHBondContact OE1-NH2 3.18Å; E542-R545 PolarHBondContact O-N 3.38Å; R545-N547 PolarHBondContact O-N 3.3Å; R545-V548 WeakPolarHBondContact O-CG2 3.36Å; R545-V548 PolarHBondContact O-N 3.15Å
546	S	96.4	Very high	96.6	Very high	90 Å²	90	57.6 Å²	57.6	63%	0.629	30%	0.301	S	S	*	.	H	α-helix	trans	-70.2	-16.9	176.5	70.1	0	0	0	0	113.8	E542 F543 I544	E542-S546 PolarHBondContact O-N 3.27Å; F543-S546 PolarHBondContact O-N 3.34Å; F543-S546 PolarHBondContact O-OG 3.36Å; I544-S546 VanDerWaalsContact C-N 3.27Å; I544-S546 PolarHBondContact O-N 3.46Å
547	N	96.7	Very high	96.3	Very high	37 Å²	37	55.9 Å²	55.9	20%	0.198	29%	0.293	C	S	.	.	H	α-helix	trans	-100.7	-8.8	-179.4	-76.8	-86.2	0	0	0	113.6	Q189 W192 F543 I544 R545	Q189-N547 PolarHBondContact NE2-O 2.94Å; W192-N547 HydrophobicContact CH2-CB 4.47Å; F543-N547 PolarHBondContact O-ND2 3.13Å; I544-N547 PolarHBondContact O-N 3.26Å; R545-N547 PolarHBondContact O-N 3.3Å
548	V	97	Very high	95.8	Very high	37 Å²	37	57.2 Å²	57.2	22%	0.224	30%	0.302	C	S	.	.	S	Bend	trans	-70.1	140.4	-178.5	-63.2	0	0	0	0	112.3	A186 G187 L467 V515 I544 R545 N550	A186-V548 WeakPolarHBondContact O-CG1 3.47Å; G187-V548 CarbonylContact O-C 3.57Å; G187-V548 VanDerWaalsContact O-CA 3.24Å; G187-V548 WeakPolarHBondContact O-CA 3.47Å; L467-V548 HydrophobicContact CD2-CG1 3.95Å; V515-V548 HydrophobicContact CG2-CG1 4.05Å; I544-V548 PolarHBondContact O-N 2.66Å; R545-V548 WeakPolarHBondContact O-CG2 3.36Å; R545-V548 PolarHBondContact O-N 3.15Å; V548-N550 PolarHBondContact O-N 3.17Å
549	Y	97.2	Very high	95.3	Very high	10 Å²	10	58.2 Å²	58.2	4%	0.039	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-59.6	129.3	176	-179.8	-108.2	0	0	0	111.2	E86 K87 Y90 V183 G187 P190 R511	E86-Y549 PolarHBondContact OE1-OH 3.35Å; E86-Y549 VanDerWaalsContact OE1-OH 3.08Å; K87-Y549 HydrophobicContact CD-CE2 4.45Å; K87-Y549 WeakPolarHBondContact CD-OH 3.39Å; Y90-Y549 HydrophobicContact CD2-CD1 4.45Å; Y90-Y549 AromaticContact CD2-CE1 3.61Å; Y90-Y549 HydrophobicContact CD2-CE1 3.61Å; Y90-Y549 AromaticContact CD2-CZ 3.97Å; Y90-Y549 HydrophobicContact CE2-CE1 4.48Å; Y90-Y549 AromaticContact CG-CE1 3.93Å; Y90-Y549 HydrophobicContact CG-CE1 3.93Å; V183-Y549 HydrophobicContact CG1-CD1 3.66Å; V183-Y549 HydrophobicContact CG1-CE1 4.14Å; V183-Y549 HydrophobicContact CG1-CG 4.06Å; G187-Y549 PolarHBondContact O-N 3.33Å; P190-Y549 VanDerWaalsContact CD-CE2 3.48Å; P190-Y549 HydrophobicContact CG-CD2 3.88Å; P190-Y549 HydrophobicContact CG-CE2 3.51Å; R511-Y549 PolarHBondContact NH2-O 2.86Å
550	N	94.7	Very high	94.7	Very high	78 Å²	78	61.6 Å²	61.6	42%	0.417	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-102.7	118.6	172.5	-174.6	2.1	0	0	0	109.1	K87 V548 E552	K87-N550 WeakPolarHBondContact CD-O 3.35Å; K87-N550 WeakPolarHBondContact CE-O 3.39Å; K87-N550 PolarHBondContact NZ-O 3.37Å; V548-N550 PolarHBondContact O-N 3.17Å; N550-E552 VanDerWaalsContact C-N 3.27Å; N550-E552 VanDerWaalsContact OD1-CB 3.3Å; N550-E552 WeakPolarHBondContact OD1-CB 3.3Å; N550-E552 WeakPolarHBondContact OD1-CG 3.25Å; N550-E552 PolarHBondContact OD1-N 3.03Å
551	Y	95.2	Very high	94.2	Very high	46 Å²	46	68.1 Å²	68.1	18%	0.18	33%	0.328	C	S	.	.			trans	-81.4	-4.1	177	56.6	-113.2	0	0	0	113.3	R91 C94	R91-Y551 HydrophobicContact CB-CD2 3.86Å; R91-Y551 HydrophobicContact CB-CE2 4.45Å; R91-Y551 HydrophobicContact CB-CG 4.25Å; R91-Y551 HydrophobicContact CG-CD2 3.95Å; R91-Y551 HydrophobicContact CG-CE2 4.1Å; C94-Y551 HydrophobicContact CB-CD1 3.89Å; C94-Y551 HydrophobicContact CB-CE1 3.47Å; C94-Y551 VanDerWaalsContact CB-CE1 3.47Å
552	E	96	Very high	93.8	Very high	67 Å²	67	72.6 Å²	72.6	31%	0.313	35%	0.349	S	S	.	.	S	Bend	trans	-65.3	143.7	169	-64.5	-60.4	150.4	0	0	110.2	K87 R91 N550 D554	K87-E552 WeakPolarHBondContact CD-O 3.4Å; K87-E552 PolarHBondContact NZ-O 3.5Å; R91-E552 IonicContact CZ-OE1 3.31Å; R91-E552 IonicContact NH1-OE1 3.97Å; R91-E552 PolarHBondContact NH1-OE1 3.26Å; R91-E552 IonicContact NH1-OE2 3.67Å; R91-E552 PolarHBondContact NH1-OE2 2.85Å; R91-E552 IonicContact NH2-OE1 2.64Å; R91-E552 PolarHBondContact NH2-OE1 2.91Å; N550-E552 VanDerWaalsContact C-N 3.27Å; N550-E552 VanDerWaalsContact OD1-CB 3.3Å; N550-E552 WeakPolarHBondContact OD1-CB 3.3Å; N550-E552 WeakPolarHBondContact OD1-CG 3.25Å; N550-E552 PolarHBondContact OD1-N 3.03Å; E552-D554 PolarHBondContact O-N 2.92Å
553	Y	96.1	Very high	93.5	Very high	33 Å²	33	72.6 Å²	72.6	13%	0.129	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-67	134.1	179.7	-69.6	-51.6	0	0	0	111	K29 A32 P54 Q57 N85 K87	K29-Y553 HydrophobicContact CB-CD1 4.11Å; K29-Y553 HydrophobicContact CB-CD2 4.36Å; K29-Y553 HydrophobicContact CB-CE1 3.88Å; K29-Y553 HydrophobicContact CB-CE2 4.2Å; K29-Y553 HydrophobicContact CB-CG 4.36Å; K29-Y553 HydrophobicContact CD-CD1 3.97Å; K29-Y553 HydrophobicContact CD-CD2 4.18Å; K29-Y553 HydrophobicContact CD-CG 3.76Å; K29-Y553 HydrophobicContact CG-CD1 3.6Å; K29-Y553 HydrophobicContact CG-CD2 4.37Å; K29-Y553 HydrophobicContact CG-CE1 3.83Å; K29-Y553 HydrophobicContact CG-CG 3.9Å; A32-Y553 HydrophobicContact CB-CD2 3.94Å; A32-Y553 HydrophobicContact CB-CE2 3.4Å; P54-Y553 HydrophobicContact CB-CD2 4.25Å; P54-Y553 HydrophobicContact CB-CE2 4.04Å; P54-Y553 HydrophobicContact CG-CD2 3.69Å; P54-Y553 HydrophobicContact CG-CE2 3.88Å; Q57-Y553 PolarHBondContact OE1-OH 2.9Å; N85-Y553 PolarHBondContact ND2-OH 3.36Å; K87-Y553 HydrophobicContact CB-CD1 3.73Å; K87-Y553 HydrophobicContact CB-CE1 3.62Å; K87-Y553 HydrophobicContact CG-CD1 4.09Å; K87-Y553 HydrophobicContact CG-CE1 4.38Å
554	D	93.2	Very high	93.1	Very high	45 Å²	45	76.5 Å²	76.5	24%	0.241	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-65	169.7	169.1	-55.1	-59.8	0	0	0	110.2	V12 K29 K87 E552 Y556	V12-D554 HydrophobicContact CB-CB 4Å; V12-D554 HydrophobicContact CG2-CB 3.69Å; K29-D554 WeakPolarHBondContact CE-O 3.31Å; K29-D554 PolarHBondContact NZ-O 3.28Å; K87-D554 WeakPolarHBondContact CE-OD2 3.35Å; K87-D554 IonicContact NZ-OD1 2.87Å; K87-D554 PolarHBondContact NZ-OD1 2.96Å; K87-D554 IonicContact NZ-OD2 2.72Å; K87-D554 PolarHBondContact NZ-OD2 3.26Å; E552-D554 PolarHBondContact O-N 2.92Å; D554-Y556 HydrophobicContact CB-CE1 4.02Å
555	N	92.8	Very high	92.4	Very high	55 Å²	55	80.2 Å²	80.2	29%	0.294	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-106.8	124.7	172.8	-178.7	7.8	0	0	0	109.2	S9 F11 V12 F557	S9-N555 VanDerWaalsContact OG-CB 3.22Å; S9-N555 WeakPolarHBondContact OG-CB 3.32Å; S9-N555 PolarHBondContact OG-N 3.1Å; F11-N555 WeakPolarHBondContact CA-O 3.26Å; V12-N555 PolarHBondContact N-O 3.42Å; N555-F557 WeakPolarHBondContact OD1-CB 3.49Å; N555-F557 PolarHBondContact OD1-N 2.82Å
556	Y	93.7	Very high	91.4	Very high	13 Å²	13	78.5 Å²	78.5	5%	0.051	42%	0.419	C	S	.	.			trans	-104.5	2.9	179.3	-57.3	-51.1	0	0	0	113.1	V12 C14 V27 K29 F33 E37 L41 D554	V12-Y556 HydrophobicContact CB-CD1 4.36Å; V12-Y556 HydrophobicContact CB-CE1 4.13Å; V12-Y556 HydrophobicContact CG1-CE1 4.24Å; V12-Y556 WeakPolarHBondContact O-CD1 3.49Å; C14-Y556 HydrophobicContact CB-CD1 3.71Å; C14-Y556 HydrophobicContact CB-CE1 4.17Å; C14-Y556 HydrophobicContact CB-CG 4.07Å; V27-Y556 WeakPolarHBondContact CA-OH 3.49Å; V27-Y556 HydrophobicContact CB-CE2 4.19Å; V27-Y556 VanDerWaalsContact O-CE2 3.28Å; V27-Y556 WeakPolarHBondContact O-CE2 3.39Å; K29-Y556 HydrophobicContact CD-CD2 4.48Å; K29-Y556 HydrophobicContact CD-CE2 4.34Å; K29-Y556 HydrophobicContact CG-CE2 4.37Å; F33-Y556 AromaticContact CE1-CD2 3.82Å; F33-Y556 HydrophobicContact CE1-CD2 3.82Å; F33-Y556 HydrophobicContact CE1-CE2 4.2Å; E37-Y556 PolarHBondContact OE1-N 2.85Å; E37-Y556 VanDerWaalsContact OE1-N 3.13Å; L41-Y556 HydrophobicContact CD1-CD2 4.32Å; D554-Y556 HydrophobicContact CB-CE1 4.02Å
557	F	91.8	Very high	89.7	Confident	58 Å²	58	82.9 Å²	82.9	25%	0.254	45%	0.45	S	S	.	.	S	Bend	trans	-80.5	125	170.3	-169.9	-104.5	0	0	0	109.4	F11 K36 E37 A40 N555 F560	F11-F557 WeakPolarHBondContact CD2-O 3.08Å; K36-F557 HydrophobicContact CB-CD2 3.7Å; K36-F557 HydrophobicContact CB-CE2 3.79Å; K36-F557 HydrophobicContact CB-CG 4.26Å; K36-F557 HydrophobicContact CB-CZ 4.41Å; K36-F557 HydrophobicContact CD-CE1 4.37Å; K36-F557 HydrophobicContact CD-CE2 4.45Å; K36-F557 HydrophobicContact CD-CZ 4.25Å; K36-F557 HydrophobicContact CG-CE2 4.49Å; E37-F557 HydrophobicContact CG-CB 3.94Å; A40-F557 HydrophobicContact CB-CD2 4.03Å; A40-F557 HydrophobicContact CB-CE2 4.3Å; N555-F557 WeakPolarHBondContact OD1-CB 3.49Å; N555-F557 PolarHBondContact OD1-N 2.82Å; F557-F560 AromaticContact CE1-CD2 3.85Å; F557-F560 HydrophobicContact CE1-CD2 3.85Å; F557-F560 AromaticContact CE1-CE2 3.82Å; F557-F560 HydrophobicContact CE1-CE2 3.82Å; F557-F560 HydrophobicContact CE2-CE2 4.35Å; F557-F560 HydrophobicContact CZ-CD2 4.12Å; F557-F560 AromaticContact CZ-CE2 3.67Å; F557-F560 HydrophobicContact CZ-CE2 3.67Å
558	P	87.3	Confident	89.4	Confident	47 Å²	47	85.2 Å²	85.2	31%	0.305	46%	0.463	S	S	.	.			trans	-54.6	141	-178.1	-25.7	34	0	0	0	112.8	F11 F560	F11-P558 HydrophobicContact CE2-CB 4.45Å; F11-P558 HydrophobicContact CE2-CG 4.36Å; P558-F560 HydrophobicContact CB-CD2 4.31Å; P558-F560 HydrophobicContact CB-CE2 3.83Å; P558-F560 HydrophobicContact CB-CZ 4.03Å; P558-F560 HydrophobicContact CG-CE2 4.28Å; P558-F560 HydrophobicContact CG-CZ 4.35Å; P558-F560 VanDerWaalsContact O-CD2 3.26Å; P558-F560 WeakPolarHBondContact O-CD2 3.47Å; P558-F560 PolarHBondContact O-N 3.02Å
559	D	86	Confident	89	Confident	127 Å²	127	87.7 Å²	87.7	68%	0.679	48%	0.476	S	S	*	.			trans	-79.8	99.2	173	-162.6	11.7	0	0	0	109.1	F11	F11-D559 HydrophobicContact CB-CB 4.25Å
560	F	86.3	Confident	88.5	Confident	155 Å²	155	92.1 Å²	92.1	68%	0.68	50%	0.5	S	S	*	.			trans	-84.2	126	177.9	-68	-83.7	0	0	0	109.7	F557 P558	F557-F560 AromaticContact CE1-CD2 3.85Å; F557-F560 HydrophobicContact CE1-CD2 3.85Å; F557-F560 AromaticContact CE1-CE2 3.82Å; F557-F560 HydrophobicContact CE1-CE2 3.82Å; F557-F560 HydrophobicContact CE2-CE2 4.35Å; F557-F560 HydrophobicContact CZ-CD2 4.12Å; F557-F560 AromaticContact CZ-CE2 3.67Å; F557-F560 HydrophobicContact CZ-CE2 3.67Å; P558-F560 HydrophobicContact CB-CD2 4.31Å; P558-F560 HydrophobicContact CB-CE2 3.83Å; P558-F560 HydrophobicContact CB-CZ 4.03Å; P558-F560 HydrophobicContact CG-CE2 4.28Å; P558-F560 HydrophobicContact CG-CZ 4.35Å; P558-F560 VanDerWaalsContact O-CD2 3.26Å; P558-F560 WeakPolarHBondContact O-CD2 3.47Å; P558-F560 PolarHBondContact O-N 3.02Å
561	Y	88.1	Confident	88.2	Confident	173 Å²	173	92.9 Å²	92.9	68%	0.678	51%	0.505	S	S	*	.			trans	-130.2	142.5	172.8	60.1	-85.5	0	0	0	109.9	F563	Y561-F563 HydrophobicContact CD2-CD1 4.25Å; Y561-F563 HydrophobicContact CD2-CE1 4.08Å; Y561-F563 HydrophobicContact CE2-CD1 4.01Å; Y561-F563 AromaticContact CE2-CE1 3.41Å; Y561-F563 HydrophobicContact CE2-CE1 3.41Å; Y561-F563 VanDerWaalsContact CE2-CE1 3.41Å; Y561-F563 HydrophobicContact CE2-CZ 4.24Å
562	E	90	Very high	87.7	Confident	161 Å²	161	95.8 Å²	95.8	75%	0.752	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-85.5	145.6	178.4	-69.2	-179.7	176	0	0	110.8
563	F	90.3	Very high	87.2	Confident	137 Å²	137	97.7 Å²	97.7	60%	0.601	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-83.1	149.2	172.7	-83	46.1	0	0	0	109.1	Y561 G565 S566	Y561-F563 HydrophobicContact CD2-CD1 4.25Å; Y561-F563 HydrophobicContact CD2-CE1 4.08Å; Y561-F563 HydrophobicContact CE2-CD1 4.01Å; Y561-F563 AromaticContact CE2-CE1 3.41Å; Y561-F563 HydrophobicContact CE2-CE1 3.41Å; Y561-F563 VanDerWaalsContact CE2-CE1 3.41Å; Y561-F563 HydrophobicContact CE2-CZ 4.24Å; F563-G565 PolarHBondContact O-N 3.18Å; F563-S566 PolarHBondContact N-OG 3.45Å; F563-S566 WeakPolarHBondContact O-CB 3.39Å; F563-S566 PolarHBondContact O-N 3.1Å; F563-S566 VanDerWaalsContact O-N 3.16Å; F563-S566 PolarHBondContact O-OG 2.74Å
564	P	89.9	Confident	86.5	Confident	136 Å²	136	102.4 Å²	102.4	88%	0.883	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	125.2	172.3	-23	32.7	0	0	0	110.8
565	G	83.7	Confident	86	Confident	78 Å²	78	106.8 Å²	106.8	80%	0.804	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.1	7.4	-179.2	0	0	0	0	0	115.8	F563 S567	F563-G565 PolarHBondContact O-N 3.18Å; G565-S567 VanDerWaalsContact C-N 3.33Å; G565-S567 PolarHBondContact O-N 3.13Å
566	S	76.1	Confident	85.5	Confident	65 Å²	65	111.1 Å²	111.1	46%	0.455	62%	0.619	S	S	.	*			trans	-85.8	67.4	176.1	-41.7	0	0	0	0	110.9	F563	F563-S566 PolarHBondContact N-OG 3.45Å; F563-S566 WeakPolarHBondContact O-CB 3.39Å; F563-S566 PolarHBondContact O-N 3.1Å; F563-S566 VanDerWaalsContact O-N 3.16Å; F563-S566 PolarHBondContact O-OG 2.74Å
567	S	62.3	Low	84.7	Confident	183 Å²	183	120 Å²	120	100%	1.28	67%	0.67	S	S	*	*			trans	-152.5	0	173.8	63.9	0	0	0	0	112.3	G565	G565-S567 VanDerWaalsContact C-N 3.33Å; G565-S567 PolarHBondContact O-N 3.13Å

Retrieved 567 of 567 residues in 370.8 ms (Link to these results)

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