G4VRT6_SCHMA Loading...

Family S28 unassigned peptidase (S28 family)

AlphaFold DB , UniProt , Accession G4VRT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 472 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	34.9	Very low	36.4	Very low	239 Å²	239	161.9 Å²	161.9	100%	1.177	82%	0.82	S	S	*	*				0	123.1	0	-83.4	174	-177.7	0	0	107.8
2	V	37.6	Very low	36.1	Very low	121 Å²	121	161.2 Å²	161.2	73%	0.733	82%	0.818	S	S	*	*			trans	59.9	89.9	170.3	-158.2	0	0	0	0	116.9	Q4	V2-Q4 HydrophobicContact CG1-CG 3.86Å; V2-Q4 PolarHBondContact O-N 3.48Å
3	H	35.6	Very low	35.9	Very low	203 Å²	203	162.5 Å²	162.5	94%	0.94	82%	0.816	S	S	*	*			trans	-68.2	115.8	156.2	-88.7	-69.4	0	0	0	109.1
4	Q	37.6	Very low	35.9	Very low	177 Å²	177	158.7 Å²	158.7	83%	0.827	81%	0.805	S	S	*	*			trans	-103.2	130.3	169.1	-73.3	-171.7	-24.6	0	0	110.7	V2	V2-Q4 HydrophobicContact CG1-CG 3.86Å; V2-Q4 PolarHBondContact O-N 3.48Å
5	N	36	Very low	35.7	Very low	152 Å²	152	154.5 Å²	154.5	81%	0.813	79%	0.794	S	S	*	*			trans	-66.8	137.7	-175.4	-124	-24.6	0	0	0	111.7	V7	N5-V7 PolarHBondContact O-N 3.33Å
6	P	42.1	Very low	35.8	Very low	118 Å²	118	151.3 Å²	151.3	77%	0.766	78%	0.784	S	S	*	*			trans	-79.3	110.2	175.9	30.5	-30.1	0	0	0	110.5	L8	P6-L8 PolarHBondContact O-N 3.41Å
7	V	37.7	Very low	36	Very low	127 Å²	127	151.2 Å²	151.2	77%	0.77	78%	0.784	S	S	*	*			trans	-80.2	109.6	171.4	176.9	0	0	0	0	108.6	N5 Q9	N5-V7 PolarHBondContact O-N 3.33Å; V7-Q9 PolarHBondContact O-N 3.31Å
8	L	34.4	Very low	36.2	Very low	148 Å²	148	154.8 Å²	154.8	78%	0.775	79%	0.787	S	S	*	*			trans	-75.6	94.7	177.6	-160.9	76.4	0	0	0	109.5	P6 F10	P6-L8 PolarHBondContact O-N 3.41Å; L8-F10 HydrophobicContact CD2-CE2 4.08Å; L8-F10 PolarHBondContact O-N 3.19Å
9	Q	34.2	Very low	36.6	Very low	149 Å²	149	152.7 Å²	152.7	70%	0.696	78%	0.783	S	S	*	*			trans	-76.6	105.6	173.9	-84.9	179.8	-32.4	0	0	110.5	V7 F11	V7-Q9 PolarHBondContact O-N 3.31Å; Q9-F11 HydrophobicContact CB-CE2 4.32Å; Q9-F11 PolarHBondContact O-N 3.2Å
10	F	35.3	Very low	37	Very low	177 Å²	177	150.2 Å²	150.2	78%	0.776	78%	0.779	S	S	*	*			trans	-69	103.3	165.8	-95.4	-96.1	0	0	0	109.6	L8 L12	L8-F10 HydrophobicContact CD2-CE2 4.08Å; L8-F10 PolarHBondContact O-N 3.19Å; F10-L12 PolarHBondContact O-N 3.12Å; F10-L12 VanDerWaalsContact O-N 3.12Å
11	F	34.8	Very low	37.8	Very low	170 Å²	170	147.6 Å²	147.6	75%	0.746	77%	0.774	S	S	*	*			trans	-74.2	94.1	168	-80.7	-90	0	0	0	109.4	Q9 F13	Q9-F11 HydrophobicContact CB-CE2 4.32Å; Q9-F11 PolarHBondContact O-N 3.2Å; F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 PolarHBondContact O-N 3.03Å
12	L	33.2	Very low	39	Very low	153 Å²	153	138 Å²	138	80%	0.801	73%	0.731	S	S	*	*			trans	-70.2	91.4	164.7	-100.8	143.2	0	0	0	108.5	F10 V14	F10-L12 PolarHBondContact O-N 3.12Å; F10-L12 VanDerWaalsContact O-N 3.12Å; L12-V14 VanDerWaalsContact C-N 3.3Å; L12-V14 PolarHBondContact O-N 3.01Å
13	F	33.5	Very low	41.2	Very low	179 Å²	179	136.8 Å²	136.8	79%	0.785	73%	0.728	S	S	*	*			trans	-72.5	85.4	172	-130.2	-91.6	0	0	0	108.5	F11 C15	F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 PolarHBondContact O-N 3.03Å; F13-C15 VanDerWaalsContact C-N 3.29Å; F13-C15 PolarHBondContact O-N 2.98Å
14	V	35.2	Very low	43.9	Very low	109 Å²	109	128.4 Å²	128.4	66%	0.661	69%	0.689	S	S	*	*			trans	-74.3	90.2	168.7	-176.6	0	0	0	0	106.7	L12 T16	L12-V14 VanDerWaalsContact C-N 3.3Å; L12-V14 PolarHBondContact O-N 3.01Å; V14-T16 HydrophobicContact CG1-CG2 4.16Å; V14-T16 PolarHBondContact O-N 2.79Å
15	C	34.1	Very low	46.5	Very low	96 Å²	96	120.7 Å²	120.7	65%	0.649	65%	0.654	S	S	*	*			trans	-65.5	86	165.7	-88.5	0	0	0	0	108.5	F13 L17	F13-C15 VanDerWaalsContact C-N 3.29Å; F13-C15 PolarHBondContact O-N 2.98Å; C15-L17 PolarHBondContact O-N 2.91Å
16	T	37	Very low	49.2	Very low	102 Å²	102	120.9 Å²	120.9	63%	0.626	64%	0.644	S	S	*	*			trans	-67.8	86	157.9	40.3	0	0	0	0	107.3	V14 Y18	V14-T16 HydrophobicContact CG1-CG2 4.16Å; V14-T16 PolarHBondContact O-N 2.79Å; T16-Y18 PolarHBondContact O-N 2.85Å
17	L	39.5	Very low	51.7	Low	150 Å²	150	120.2 Å²	120.2	79%	0.785	64%	0.64	S	S	*	*			trans	-59.7	98.2	161.4	-75.2	166.4	0	0	0	106	C15 V19	C15-L17 PolarHBondContact O-N 2.91Å; L17-V19 PolarHBondContact O-N 3.14Å
18	Y	39.8	Very low	54.4	Low	216 Å²	216	115.1 Å²	115.1	85%	0.847	61%	0.609	S	S	*	*			trans	-59.7	89.4	161.4	-85	-91.7	0	0	0	106.1	T16 S20	T16-Y18 PolarHBondContact O-N 2.85Å; Y18-S20 PolarHBondContact O-N 2.87Å
19	V	42.9	Very low	57.4	Low	116 Å²	116	112.1 Å²	112.1	70%	0.703	59%	0.59	S	S	*	*			trans	-65.5	94.9	163.5	-178.1	0	0	0	0	104.1	L17 S21	L17-V19 PolarHBondContact O-N 3.14Å; V19-S21 PolarHBondContact O-N 3.21Å
20	S	44.7	Very low	60.5	Low	102 Å²	102	109 Å²	109	71%	0.713	58%	0.575	S	S	*	*			trans	-53.2	110.9	170.8	50	0	0	0	0	106.9	Y18 S22	Y18-S20 PolarHBondContact O-N 2.87Å; S20-S22 PolarHBondContact O-N 3.45Å
21	S	53	Low	63.5	Low	96 Å²	96	104.1 Å²	104.1	67%	0.671	56%	0.557	S	S	*	*			trans	-54.5	117.7	176.2	67.3	0	0	0	0	107.4	V19 S23	V19-S21 PolarHBondContact O-N 3.21Å; S21-S23 PolarHBondContact O-N 3.37Å
22	S	61.2	Low	66.5	Low	38 Å²	38	100 Å²	100	27%	0.266	54%	0.537	S	S	.	.			trans	-65.8	113.2	179.4	49.6	0	0	0	0	108.4	S20 I24 F87 E88	S20-S22 PolarHBondContact O-N 3.45Å; S22-I24 PolarHBondContact O-N 2.83Å; S22-F87 PolarHBondContact OG-O 3.39Å; S22-F87 VanDerWaalsContact OG-O 3.09Å; S22-E88 WeakPolarHBondContact OG-CA 3.18Å
23	S	83.6	Confident	69.6	Low	95 Å²	95	94.8 Å²	94.8	66%	0.664	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-56.3	136.2	171.4	56.1	0	0	0	0	109.8	S21 P25	S21-S23 PolarHBondContact O-N 3.37Å; S23-P25 WeakPolarHBondContact O-CD 3.25Å
24	I	92.4	Very high	72.6	Confident	27 Å²	27	90.5 Å²	90.5	14%	0.138	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-56.2	122.2	172.9	-61	176.4	0	0	0	108	S22 W26 N81 F87	S22-I24 PolarHBondContact O-N 2.83Å; I24-W26 PolarHBondContact O-N 3.28Å; I24-N81 WeakPolarHBondContact CD1-O 3.2Å; I24-F87 HydrophobicContact CB-CD2 4.33Å; I24-F87 HydrophobicContact CD1-CD2 4.39Å; I24-F87 HydrophobicContact CG1-CD2 3.84Å; I24-F87 HydrophobicContact CG1-CE2 4.4Å; I24-F87 HydrophobicContact CG1-CG 4.4Å; I24-F87 HydrophobicContact CG2-CD2 3.93Å; I24-F87 HydrophobicContact CG2-CE2 3.78Å; I24-F87 HydrophobicContact CG2-CG 4.41Å; I24-F87 HydrophobicContact CG2-CZ 4.14Å
25	P	92.6	Very high	75.6	Confident	14 Å²	14	85.3 Å²	85.3	9%	0.091	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-60.2	129.5	179.6	-22.4	34.1	0	0	0	110.7	S23 E56 K58 W59 W80 F87	S23-P25 WeakPolarHBondContact O-CD 3.25Å; P25-E56 VanDerWaalsContact CB-OE2 3.3Å; P25-E56 WeakPolarHBondContact CB-OE2 3.48Å; P25-E56 HydrophobicContact CG-CG 4.17Å; P25-E56 WeakPolarHBondContact CG-OE2 3.5Å; P25-K58 VanDerWaalsContact CG-CE 3.49Å; P25-W59 HydrophobicContact CG-CH2 3.86Å; P25-W59 HydrophobicContact CG-CZ3 4.47Å; P25-W80 PolarHBondContact O-NE1 2.73Å; P25-F87 VanDerWaalsContact CD-CD1 3.48Å; P25-F87 HydrophobicContact CG-CD1 4.21Å
26	W	92.7	Very high	78.5	Confident	157 Å²	157	82.4 Å²	82.4	60%	0.595	44%	0.442	S	S	*	.	S	Bend	trans	-140.9	135.5	178.7	-168.3	-94	0	0	0	111.3	I24 P28 D77 W80 N81	I24-W26 PolarHBondContact O-N 3.28Å; W26-P28 VanDerWaalsContact CE3-CD 3.48Å; W26-P28 HydrophobicContact CZ3-CG 4.26Å; W26-D77 HydrophobicContact CH2-CB 4.23Å; W26-W80 AromaticContact CE3-CD1 3.89Å; W26-W80 AromaticContact CZ3-CD1 3.93Å; W26-N81 HydrophobicContact CZ3-CB 4.42Å
27	P	93.6	Very high	81.4	Confident	104 Å²	104	77.8 Å²	77.8	68%	0.675	41%	0.413	S	S	*	.	S	Bend	cis	-71.8	152.7	-5.8	31.5	-35.3	0	0	0	112.4
28	P	95	Very high	84.1	Confident	20 Å²	20	71.5 Å²	71.5	13%	0.13	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-60.4	153.2	170.1	23.4	-32.7	0	0	0	111.6	W26 E30 L54 W80	W26-P28 VanDerWaalsContact CE3-CD 3.48Å; W26-P28 HydrophobicContact CZ3-CG 4.26Å; P28-E30 PolarHBondContact O-N 2.96Å; P28-L54 HydrophobicContact CB-CB 4Å; P28-L54 HydrophobicContact CB-CD1 4.01Å; P28-L54 HydrophobicContact CB-CD2 4.09Å; P28-L54 HydrophobicContact CB-CG 4.25Å; P28-L54 HydrophobicContact CG-CD1 3.78Å; P28-L54 HydrophobicContact CG-CD2 3.98Å; P28-L54 HydrophobicContact CG-CG 4.33Å; P28-W80 HydrophobicContact CB-CD2 3.79Å; P28-W80 HydrophobicContact CB-CE3 4.18Å; P28-W80 HydrophobicContact CB-CG 4.29Å; P28-W80 HydrophobicContact CB-CH2 4.11Å; P28-W80 HydrophobicContact CB-CZ2 3.72Å; P28-W80 HydrophobicContact CB-CZ3 4.33Å; P28-W80 HydrophobicContact CG-CD2 4.4Å; P28-W80 HydrophobicContact CG-CG 4.41Å
29	K	98	Very high	86.8	Confident	84 Å²	84	62.4 Å²	62.4	37%	0.365	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.7	163.5	-59.2	177.2	176	179.6	0	107.9	L54 Y55 D57	K29-L54 CarbonylContact O-C 3.39Å; K29-L54 VanDerWaalsContact O-CA 3.29Å; K29-L54 WeakPolarHBondContact O-CA 3.38Å; K29-Y55 HydrophobicContact CB-CD1 3.91Å; K29-Y55 HydrophobicContact CB-CD2 4.36Å; K29-Y55 HydrophobicContact CB-CE1 3.59Å; K29-Y55 HydrophobicContact CB-CE2 4.09Å; K29-Y55 HydrophobicContact CB-CG 4.28Å; K29-Y55 WeakPolarHBondContact CB-O 3.24Å; K29-Y55 HydrophobicContact CD-CD2 4.17Å; K29-Y55 HydrophobicContact CD-CE2 3.58Å; K29-Y55 HydrophobicContact CG-CE2 4.49Å; K29-Y55 PolarHBondContact N-O 3.11Å; K29-Y55 PolarHBondContact O-N 3.18Å; K29-D57 IonicContact NZ-OD1 2.68Å; K29-D57 PolarHBondContact NZ-OD1 2.96Å; K29-D57 IonicContact NZ-OD2 3.13Å; K29-D57 PolarHBondContact NZ-OD2 3.09Å
30	E	98.3	Very high	89.2	Confident	83 Å²	83	62 Å²	62	39%	0.388	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.7	-178.7	-179.3	177.6	-150.8	0	0	110.2	P28 Y32 R52 L54 K107	P28-E30 PolarHBondContact O-N 2.96Å; E30-Y32 HydrophobicContact CG-CE2 4.3Å; E30-Y32 PolarHBondContact OE1-OH 3.4Å; E30-R52 HydrophobicContact CG-CG 4.34Å; E30-R52 IonicContact OE1-CZ 3.85Å; E30-R52 IonicContact OE1-NE 2.69Å; E30-R52 PolarHBondContact OE1-NE 3.37Å; E30-R52 IonicContact OE1-NH2 2.67Å; E30-L54 HydrophobicContact CB-CD2 3.79Å; E30-L54 HydrophobicContact CG-CD2 3.92Å; E30-K107 IonicContact OE1-NZ 3.78Å; E30-K107 PolarHBondContact OE1-NZ 2.97Å; E30-K107 IonicContact OE2-NZ 3.89Å
31	N	98.1	Very high	91.5	Very high	75 Å²	75	60.2 Å²	60.2	40%	0.401	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	175	170.8	-160.3	2.6	0	0	0	110.7	Y53 Y55	N31-Y53 HydrophobicContact CB-CE1 3.98Å; N31-Y53 HydrophobicContact CB-CE2 3.9Å; N31-Y53 WeakPolarHBondContact CB-OH 3.43Å; N31-Y53 PolarHBondContact N-O 3.39Å; N31-Y53 PolarHBondContact ND2-OH 2.9Å; N31-Y53 PolarHBondContact O-N 3.29Å; N31-Y53 VanDerWaalsContact O-O 3.09Å; N31-Y55 HydrophobicContact CB-CE1 4.3Å
32	Y	98.5	Very high	93.1	Very high	83 Å²	83	62.9 Å²	62.9	33%	0.325	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140	-178.5	-65.4	-98.4	0	0	0	110.9	E30 K50 Q51 R52 K107	E30-Y32 HydrophobicContact CG-CE2 4.3Å; E30-Y32 PolarHBondContact OE1-OH 3.4Å; Y32-K50 HydrophobicContact CD1-CB 3.84Å; Y32-K50 HydrophobicContact CG-CB 4.31Å; Y32-Q51 CarbonylContact C-O 3.42Å; Y32-Q51 VanDerWaalsContact CA-O 3.28Å; Y32-Q51 WeakPolarHBondContact CA-O 3.4Å; Y32-R52 HydrophobicContact CD1-CB 3.98Å; Y32-R52 HydrophobicContact CE1-CB 3.65Å; Y32-R52 HydrophobicContact CE1-CG 4.03Å; Y32-K107 WeakPolarHBondContact OH-CD 3.27Å
33	F	98.2	Very high	94.1	Very high	45 Å²	45	69.9 Å²	69.9	20%	0.197	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.4	175.2	-172.6	-104.8	0	0	0	109.7	Q35 Q51 Y53 L135	F33-Q35 HydrophobicContact CD1-CB 4.31Å; F33-Q35 PolarHBondContact O-N 3.39Å; F33-Q35 VanDerWaalsContact O-N 3.12Å; F33-Q51 PolarHBondContact N-O 3.46Å; F33-Q51 PolarHBondContact O-N 3.43Å; F33-Y53 HydrophobicContact CB-CD1 4.09Å; F33-Y53 HydrophobicContact CB-CE1 3.96Å; F33-L135 HydrophobicContact CB-CD1 3.54Å; F33-L135 HydrophobicContact CD1-CB 4.38Å; F33-L135 HydrophobicContact CD1-CD1 4.13Å; F33-L135 HydrophobicContact CD2-CD1 3.95Å; F33-L135 HydrophobicContact CG-CD1 3.61Å
34	D	97.2	Very high	93.6	Very high	88 Å²	88	65.8 Å²	65.8	47%	0.471	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	98.9	172.7	-81.6	-50.5	0	0	0	109.3	K50	D34-K50 VanDerWaalsContact OD1-CD 3.22Å; D34-K50 WeakPolarHBondContact OD1-CD 3.41Å; D34-K50 WeakPolarHBondContact OD1-CE 3.22Å; D34-K50 IonicContact OD1-NZ 3.73Å; D34-K50 PolarHBondContact OD1-NZ 3.22Å; D34-K50 IonicContact OD2-NZ 3.63Å; D34-K50 PolarHBondContact OD2-NZ 3.39Å
35	Q	96.9	Very high	92.8	Very high	1 Å²	1	70.6 Å²	70.6	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	140.2	-174.1	-173.1	56.8	-90.5	0	0	111.1	F33 L37 H39 T48 F49 Q51 D131	F33-Q35 HydrophobicContact CD1-CB 4.31Å; F33-Q35 PolarHBondContact O-N 3.39Å; F33-Q35 VanDerWaalsContact O-N 3.12Å; Q35-L37 PolarHBondContact O-N 2.88Å; Q35-H39 PolarHBondContact OE1-CE1 3.29Å; Q35-H39 PolarHBondContact OE1-NE2 3.24Å; Q35-T48 CarbonylContact O-C 3.5Å; Q35-T48 WeakPolarHBondContact O-CA 3.49Å; Q35-T48 WeakPolarHBondContact O-CB 3.43Å; Q35-F49 HydrophobicContact CB-CD1 3.97Å; Q35-F49 HydrophobicContact CB-CE1 3.55Å; Q35-F49 HydrophobicContact CB-CZ 3.85Å; Q35-F49 HydrophobicContact CG-CD1 4.27Å; Q35-F49 HydrophobicContact CG-CE1 3.42Å; Q35-F49 VanDerWaalsContact CG-CE1 3.42Å; Q35-F49 HydrophobicContact CG-CZ 3.72Å; Q35-F49 PolarHBondContact N-O 2.79Å; Q35-F49 PolarHBondContact O-N 2.65Å; Q35-Q51 HydrophobicContact CB-CB 4Å; Q35-Q51 VanDerWaalsContact NE2-OE1 3.12Å; Q35-D131 HydrophobicContact CG-CB 4.13Å; Q35-D131 WeakPolarHBondContact CG-OD1 3.43Å; Q35-D131 PolarHBondContact NE2-O 2.8Å
36	T	95.6	Very high	92.3	Very high	35 Å²	35	77.4 Å²	77.4	22%	0.215	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	131.9	172.1	-59.7	0	0	0	0	109.9	D38 R103	T36-D38 WeakPolarHBondContact CG2-O 2.79Å; T36-D38 PolarHBondContact O-N 3.12Å; T36-R103 PolarHBondContact O-NH2 3.03Å
37	L	96.6	Very high	92.3	Very high	4 Å²	4	74.3 Å²	74.3	2%	0.021	36%	0.364	C	S	.	.	S	Bend	trans	-62.1	-45.4	-178.9	175.8	68.8	0	0	0	111.5	Q35 L47 R103 P110 F111 Y122	Q35-L37 PolarHBondContact O-N 2.88Å; L37-L47 HydrophobicContact CB-CB 3.85Å; L37-L47 VanDerWaalsContact CB-O 3.3Å; L37-L47 WeakPolarHBondContact CB-O 3.39Å; L37-L47 HydrophobicContact CD2-CB 3.73Å; L37-L47 HydrophobicContact CD2-CD1 3.78Å; L37-L47 HydrophobicContact CD2-CG 4.41Å; L37-L47 HydrophobicContact CG-CB 4.46Å; L37-L47 PolarHBondContact N-O 3.47Å; L37-R103 PolarHBondContact O-NH1 2.97Å; L37-R103 PolarHBondContact O-NH2 3.2Å; L37-P110 HydrophobicContact CD1-CB 3.6Å; L37-P110 HydrophobicContact CD1-CG 4.25Å; L37-F111 HydrophobicContact CD1-CE2 3.79Å; L37-F111 HydrophobicContact CD1-CZ 3.79Å; L37-F111 HydrophobicContact CD2-CE1 4.46Å; L37-F111 HydrophobicContact CD2-CE2 4.42Å; L37-F111 HydrophobicContact CD2-CZ 3.64Å; L37-F111 HydrophobicContact CG-CZ 4.37Å; L37-Y122 HydrophobicContact CD1-CD2 4.05Å; L37-Y122 HydrophobicContact CD1-CG 4.1Å; L37-Y122 HydrophobicContact CD2-CD2 4.33Å; L37-Y122 HydrophobicContact CD2-CE1 4.27Å; L37-Y122 HydrophobicContact CD2-CE2 3.98Å; L37-Y122 HydrophobicContact CG-CD1 4.22Å; L37-Y122 HydrophobicContact CG-CD2 4.28Å; L37-Y122 HydrophobicContact CG-CE1 4.33Å; L37-Y122 HydrophobicContact CG-CE2 4.4Å; L37-Y122 HydrophobicContact CG-CG 4.18Å
38	D	96.9	Very high	92.4	Very high	18 Å²	18	73.1 Å²	73.1	10%	0.096	36%	0.355	C	S	.	.			trans	-132.7	110.5	-179.3	-170.1	-19.2	0	0	0	110.9	T36 F40 N41 A44 Y122 Q127	T36-D38 WeakPolarHBondContact CG2-O 2.79Å; T36-D38 PolarHBondContact O-N 3.12Å; D38-F40 VanDerWaalsContact C-N 3.26Å; D38-F40 PolarHBondContact O-N 3.5Å; D38-F40 PolarHBondContact OD1-N 3.01Å; D38-N41 HydrophobicContact CB-CB 4.21Å; D38-N41 VanDerWaalsContact CG-CB 3.42Å; D38-N41 PolarHBondContact OD1-N 3.33Å; D38-N41 WeakPolarHBondContact OD2-CB 3.3Å; D38-A44 HydrophobicContact CB-CB 4.06Å; D38-Y122 HydrophobicContact CB-CD1 4.01Å; D38-Y122 HydrophobicContact CB-CE1 4Å; D38-Q127 PolarHBondContact OD1-NE2 3.41Å
39	H	96	Very high	92.5	Very high	25 Å²	25	72.7 Å²	72.7	12%	0.116	35%	0.351	C	S	.	.	S	Bend	trans	-73.9	-18.1	-179.5	-69.1	-71.6	0	0	0	113.7	Q35 Q127 A130 D131 Y134	Q35-H39 PolarHBondContact OE1-CE1 3.29Å; Q35-H39 PolarHBondContact OE1-NE2 3.24Å; H39-Q127 PolarHBondContact CD2-OE1 3.13Å; H39-Q127 VanDerWaalsContact CD2-OE1 3.29Å; H39-A130 HydrophobicContact CB-CB 3.8Å; H39-A130 WeakPolarHBondContact CD2-CB 3.4Å; H39-A130 VanDerWaalsContact CG-CB 3.49Å; H39-D131 IonicContact CD2-OD1 2.79Å; H39-D131 PolarHBondContact CD2-OD1 2.79Å; H39-D131 IonicContact CE1-OD1 3.49Å; H39-D131 IonicContact NE2-OD1 3.38Å; H39-D131 PolarHBondContact NE2-OD1 2.87Å; H39-Y134 AromaticContact CE1-CD2 3.43Å; H39-Y134 VanDerWaalsContact CE1-CD2 3.43Å; H39-Y134 WeakPolarHBondContact CE1-CD2 3.43Å; H39-Y134 AromaticContact CE1-CE2 3.83Å; H39-Y134 AromaticContact ND1-CD2 3.55Å; H39-Y134 AromaticContact ND1-CE2 3.45Å; H39-Y134 WeakPolarHBondContact ND1-CE2 3.5Å
40	F	94.7	Very high	92.5	Very high	108 Å²	108	73.9 Å²	73.9	47%	0.474	36%	0.356	S	S	.	.	S	Bend	trans	-113.2	-11.4	-169.1	-52.8	-72.5	0	0	0	112.7	D38 D126 Q127 A130	D38-F40 VanDerWaalsContact C-N 3.26Å; D38-F40 PolarHBondContact O-N 3.5Å; D38-F40 PolarHBondContact OD1-N 3.01Å; F40-D126 HydrophobicContact CE2-CB 4.07Å; F40-D126 HydrophobicContact CZ-CB 4.24Å; F40-Q127 HydrophobicContact CD2-CG 4.34Å; F40-Q127 HydrophobicContact CE2-CG 4.27Å; F40-A130 HydrophobicContact CE2-CB 4.33Å; F40-A130 HydrophobicContact CZ-CB 3.99Å
41	N	91.7	Very high	92.5	Very high	65 Å²	65	69.9 Å²	69.9	35%	0.348	34%	0.337	S	S	.	.			trans	-107.3	116	172.2	-168.6	-24.3	0	0	0	112.7	D38 Q43 A44	D38-N41 HydrophobicContact CB-CB 4.21Å; D38-N41 VanDerWaalsContact CG-CB 3.42Å; D38-N41 PolarHBondContact OD1-N 3.33Å; D38-N41 WeakPolarHBondContact OD2-CB 3.3Å; N41-Q43 VanDerWaalsContact C-N 3.29Å; N41-Q43 PolarHBondContact O-N 3.45Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.49Å; N41-Q43 PolarHBondContact OD1-N 3.37Å; N41-A44 PolarHBondContact O-N 3.45Å
42	F	87.1	Confident	92.6	Very high	152 Å²	152	66.9 Å²	66.9	67%	0.667	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-69.4	-21.7	-179	-69.1	-95.1	0	0	0	114.2
43	Q	83.2	Confident	92.6	Very high	184 Å²	184	63.3 Å²	63.3	86%	0.86	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-73.6	-31.2	177.5	-65.2	-176	-14.7	0	0	112.3	N41	N41-Q43 VanDerWaalsContact C-N 3.29Å; N41-Q43 PolarHBondContact O-N 3.45Å; N41-Q43 WeakPolarHBondContact OD1-CB 3.49Å; N41-Q43 PolarHBondContact OD1-N 3.37Å
44	A	73	Confident	92.6	Very high	10 Å²	10	61.1 Å²	61.1	8%	0.083	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-93.2	7.4	-177.3	0	0	0	0	0	113.6	D38 N41 N46 L47	D38-A44 HydrophobicContact CB-CB 4.06Å; N41-A44 PolarHBondContact O-N 3.45Å; A44-N46 PolarHBondContact O-N 3.27Å; A44-N46 VanDerWaalsContact O-N 3.1Å; A44-L47 HydrophobicContact CB-CD1 4.22Å; A44-L47 WeakPolarHBondContact O-CB 3.34Å; A44-L47 PolarHBondContact O-N 2.94Å
45	R	74.3	Confident	92.7	Very high	127 Å²	127	58.6 Å²	58.6	48%	0.479	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.7	-173.4	-96.8	-175	173.1	-149.5	-3.4	115.7	L47	R45-L47 VanDerWaalsContact C-N 3.31Å
46	N	81.7	Confident	92.7	Very high	158 Å²	158	59.7 Å²	59.7	85%	0.845	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.4	179.4	-65.2	-19.2	0	0	0	112.9	A44	A44-N46 PolarHBondContact O-N 3.27Å; A44-N46 VanDerWaalsContact O-N 3.1Å
47	L	92.8	Very high	92.7	Very high	92 Å²	92	60.4 Å²	60.4	48%	0.482	29%	0.288	S	S	.	.			trans	-85.9	128.9	175.5	-58.7	178.6	0	0	0	108.6	L37 A44 R45	L37-L47 HydrophobicContact CB-CB 3.85Å; L37-L47 VanDerWaalsContact CB-O 3.3Å; L37-L47 WeakPolarHBondContact CB-O 3.39Å; L37-L47 HydrophobicContact CD2-CB 3.73Å; L37-L47 HydrophobicContact CD2-CD1 3.78Å; L37-L47 HydrophobicContact CD2-CG 4.41Å; L37-L47 HydrophobicContact CG-CB 4.46Å; L37-L47 PolarHBondContact N-O 3.47Å; A44-L47 HydrophobicContact CB-CD1 4.22Å; A44-L47 WeakPolarHBondContact O-CB 3.34Å; A44-L47 PolarHBondContact O-N 2.94Å; R45-L47 VanDerWaalsContact C-N 3.31Å
48	T	96.3	Very high	92.6	Very high	79 Å²	79	65.5 Å²	65.5	49%	0.485	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	161.5	179.2	62.2	0	0	0	0	111.3	Q35	Q35-T48 CarbonylContact O-C 3.5Å; Q35-T48 WeakPolarHBondContact O-CA 3.49Å; Q35-T48 WeakPolarHBondContact O-CB 3.43Å
49	F	97.6	Very high	92.5	Very high	10 Å²	10	66.6 Å²	66.6	4%	0.044	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	163.8	167	74.6	-74.8	0	0	0	110.8	Q35 Q51 R103 P110	Q35-F49 HydrophobicContact CB-CD1 3.97Å; Q35-F49 HydrophobicContact CB-CE1 3.55Å; Q35-F49 HydrophobicContact CB-CZ 3.85Å; Q35-F49 HydrophobicContact CG-CD1 4.27Å; Q35-F49 HydrophobicContact CG-CE1 3.42Å; Q35-F49 VanDerWaalsContact CG-CE1 3.42Å; Q35-F49 HydrophobicContact CG-CZ 3.72Å; Q35-F49 PolarHBondContact N-O 2.79Å; Q35-F49 PolarHBondContact O-N 2.65Å; F49-Q51 HydrophobicContact CE2-CB 3.82Å; F49-Q51 HydrophobicContact CE2-CG 4.41Å; F49-Q51 HydrophobicContact CZ-CB 4.14Å; F49-Q51 PolarHBondContact O-N 2.87Å; F49-R103 HydrophobicContact CE2-CB 4.11Å; F49-R103 HydrophobicContact CZ-CB 3.8Å; F49-P110 HydrophobicContact CB-CB 3.84Å; F49-P110 HydrophobicContact CB-CG 4.34Å; F49-P110 HydrophobicContact CD1-CB 4.34Å; F49-P110 HydrophobicContact CD1-CG 4.2Å; F49-P110 HydrophobicContact CD2-CB 4.36Å; F49-P110 HydrophobicContact CD2-CG 3.93Å; F49-P110 HydrophobicContact CE2-CG 4.28Å; F49-P110 HydrophobicContact CG-CB 3.93Å; F49-P110 HydrophobicContact CG-CG 3.9Å
50	K	98.3	Very high	92.6	Very high	109 Å²	109	67.9 Å²	67.9	47%	0.474	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	101	177.5	-65.7	-64.8	-173.4	179.6	0	109.3	Y32 D34	Y32-K50 HydrophobicContact CD1-CB 3.84Å; Y32-K50 HydrophobicContact CG-CB 4.31Å; D34-K50 VanDerWaalsContact OD1-CD 3.22Å; D34-K50 WeakPolarHBondContact OD1-CD 3.41Å; D34-K50 WeakPolarHBondContact OD1-CE 3.22Å; D34-K50 IonicContact OD1-NZ 3.73Å; D34-K50 PolarHBondContact OD1-NZ 3.22Å; D34-K50 IonicContact OD2-NZ 3.63Å; D34-K50 PolarHBondContact OD2-NZ 3.39Å
51	Q	98.7	Very high	92.5	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	122.6	171.6	-175.7	178.5	25.4	0	0	109.5	Y32 F33 Q35 F49 E101	Y32-Q51 CarbonylContact C-O 3.42Å; Y32-Q51 VanDerWaalsContact CA-O 3.28Å; Y32-Q51 WeakPolarHBondContact CA-O 3.4Å; F33-Q51 PolarHBondContact N-O 3.46Å; F33-Q51 PolarHBondContact O-N 3.43Å; Q35-Q51 HydrophobicContact CB-CB 4Å; Q35-Q51 VanDerWaalsContact NE2-OE1 3.12Å; F49-Q51 HydrophobicContact CE2-CB 3.82Å; F49-Q51 HydrophobicContact CE2-CG 4.41Å; F49-Q51 HydrophobicContact CZ-CB 4.14Å; F49-Q51 PolarHBondContact O-N 2.87Å; Q51-E101 PolarHBondContact NE2-O 3.16Å
52	R	98.7	Very high	92.5	Very high	11 Å²	11	70.7 Å²	70.7	4%	0.042	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	142	176.1	-174.4	-174.1	177.8	-149.1	0.3	110.3	E30 Y32 I76 D77 E101 S108	E30-R52 HydrophobicContact CG-CG 4.34Å; E30-R52 IonicContact OE1-CZ 3.85Å; E30-R52 IonicContact OE1-NE 2.69Å; E30-R52 PolarHBondContact OE1-NE 3.37Å; E30-R52 IonicContact OE1-NH2 2.67Å; Y32-R52 HydrophobicContact CD1-CB 3.98Å; Y32-R52 HydrophobicContact CE1-CB 3.65Å; Y32-R52 HydrophobicContact CE1-CG 4.03Å; R52-I76 HydrophobicContact CG-CG2 4.48Å; R52-D77 IonicContact CZ-OD1 2.97Å; R52-D77 IonicContact NH1-OD1 3.64Å; R52-D77 PolarHBondContact NH1-OD1 3.47Å; R52-D77 IonicContact NH2-OD1 2.83Å; R52-D77 PolarHBondContact NH2-OD1 3.04Å; R52-E101 HydrophobicContact CB-CB 4.06Å; R52-E101 WeakPolarHBondContact CB-OE1 3.39Å; R52-E101 WeakPolarHBondContact CD-OE1 3.41Å; R52-E101 IonicContact CZ-OE2 3.93Å; R52-E101 IonicContact NH1-OE2 3.99Å; R52-E101 PolarHBondContact NH1-OE2 2.76Å; R52-E101 VanDerWaalsContact O-CB 3.29Å; R52-E101 WeakPolarHBondContact O-CB 3.32Å; R52-E101 PolarHBondContact O-N 3.36Å; R52-S108 VanDerWaalsContact CB-OG 3.3Å; R52-S108 WeakPolarHBondContact CB-OG 3.25Å; R52-S108 PolarHBondContact N-OG 2.78Å
53	Y	98.7	Very high	92.6	Very high	8 Å²	8	68.8 Å²	68.8	3%	0.031	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154.2	165.1	65.7	-88.3	0	0	0	110.5	N31 F33 Y55 L98 F99 L135 I139	N31-Y53 HydrophobicContact CB-CE1 3.98Å; N31-Y53 HydrophobicContact CB-CE2 3.9Å; N31-Y53 WeakPolarHBondContact CB-OH 3.43Å; N31-Y53 PolarHBondContact N-O 3.39Å; N31-Y53 PolarHBondContact ND2-OH 2.9Å; N31-Y53 PolarHBondContact O-N 3.29Å; N31-Y53 VanDerWaalsContact O-O 3.09Å; F33-Y53 HydrophobicContact CB-CD1 4.09Å; F33-Y53 HydrophobicContact CB-CE1 3.96Å; Y53-Y55 HydrophobicContact CD2-CD1 4.01Å; Y53-Y55 AromaticContact CE2-CD1 3.66Å; Y53-Y55 HydrophobicContact CE2-CD1 3.66Å; Y53-Y55 HydrophobicContact CE2-CE1 4.11Å; Y53-Y55 HydrophobicContact CE2-CG 4.45Å; Y53-L98 HydrophobicContact CD2-CD1 3.58Å; Y53-L98 HydrophobicContact CE2-CD1 4.35Å; Y53-L98 HydrophobicContact CG-CD1 4.16Å; Y53-F99 CarbonylContact C-O 3.57Å; Y53-F99 VanDerWaalsContact CA-O 3.26Å; Y53-F99 WeakPolarHBondContact CA-O 3.37Å; Y53-F99 WeakPolarHBondContact CB-O 2.8Å; Y53-L135 HydrophobicContact CD1-CD1 3.78Å; Y53-L135 HydrophobicContact CE1-CD1 4.14Å; Y53-L135 HydrophobicContact CG-CD1 4.21Å; Y53-I139 HydrophobicContact CD2-CD1 4.37Å; Y53-I139 HydrophobicContact CE1-CD1 4.13Å; Y53-I139 HydrophobicContact CE2-CD1 3.63Å; Y53-I139 VanDerWaalsContact CZ-CD1 3.47Å; Y53-I139 WeakPolarHBondContact OH-CD1 3.35Å
54	L	98.8	Very high	93.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.2	174.3	-55	179.4	0	0	0	109.1	P28 K29 E30 I76 D77 W80 F99	P28-L54 HydrophobicContact CB-CB 4Å; P28-L54 HydrophobicContact CB-CD1 4.01Å; P28-L54 HydrophobicContact CB-CD2 4.09Å; P28-L54 HydrophobicContact CB-CG 4.25Å; P28-L54 HydrophobicContact CG-CD1 3.78Å; P28-L54 HydrophobicContact CG-CD2 3.98Å; P28-L54 HydrophobicContact CG-CG 4.33Å; K29-L54 CarbonylContact O-C 3.39Å; K29-L54 VanDerWaalsContact O-CA 3.29Å; K29-L54 WeakPolarHBondContact O-CA 3.38Å; E30-L54 HydrophobicContact CB-CD2 3.79Å; E30-L54 HydrophobicContact CG-CD2 3.92Å; L54-I76 HydrophobicContact CD1-CG1 4.48Å; L54-I76 HydrophobicContact CD1-CG2 3.68Å; L54-I76 HydrophobicContact CD2-CG2 4.47Å; L54-I76 HydrophobicContact CG-CG2 3.69Å; L54-D77 HydrophobicContact CD1-CB 4.31Å; L54-W80 HydrophobicContact CB-CD2 4.43Å; L54-W80 HydrophobicContact CB-CE3 3.62Å; L54-W80 HydrophobicContact CB-CZ3 3.79Å; L54-W80 HydrophobicContact CD1-CB 3.89Å; L54-W80 HydrophobicContact CD1-CD2 4.24Å; L54-W80 HydrophobicContact CD1-CE3 4.08Å; L54-W80 HydrophobicContact CD1-CG 4.18Å; L54-F99 HydrophobicContact CB-CB 4.22Å; L54-F99 PolarHBondContact N-O 2.94Å; L54-F99 PolarHBondContact O-N 3.09Å
55	Y	98.4	Very high	94.4	Very high	35 Å²	35	60.2 Å²	60.2	14%	0.137	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	161.6	178.3	71.9	-78.9	0	0	0	113.7	K29 N31 Y53 F96 V97 F143	K29-Y55 HydrophobicContact CB-CD1 3.91Å; K29-Y55 HydrophobicContact CB-CD2 4.36Å; K29-Y55 HydrophobicContact CB-CE1 3.59Å; K29-Y55 HydrophobicContact CB-CE2 4.09Å; K29-Y55 HydrophobicContact CB-CG 4.28Å; K29-Y55 WeakPolarHBondContact CB-O 3.24Å; K29-Y55 HydrophobicContact CD-CD2 4.17Å; K29-Y55 HydrophobicContact CD-CE2 3.58Å; K29-Y55 HydrophobicContact CG-CE2 4.49Å; K29-Y55 PolarHBondContact N-O 3.11Å; K29-Y55 PolarHBondContact O-N 3.18Å; N31-Y55 HydrophobicContact CB-CE1 4.3Å; Y53-Y55 HydrophobicContact CD2-CD1 4.01Å; Y53-Y55 AromaticContact CE2-CD1 3.66Å; Y53-Y55 HydrophobicContact CE2-CD1 3.66Å; Y53-Y55 HydrophobicContact CE2-CE1 4.11Å; Y53-Y55 HydrophobicContact CE2-CG 4.45Å; Y55-F96 HydrophobicContact CD2-CE1 4.34Å; Y55-F96 AromaticContact CD2-CE2 3.89Å; Y55-F96 HydrophobicContact CD2-CE2 3.89Å; Y55-F96 AromaticContact CD2-CZ 3.45Å; Y55-F96 HydrophobicContact CD2-CZ 3.45Å; Y55-F96 VanDerWaalsContact CD2-CZ 3.45Å; Y55-F96 HydrophobicContact CE2-CZ 4.34Å; Y55-F96 HydrophobicContact CG-CE1 4.4Å; Y55-F96 AromaticContact CG-CZ 3.86Å; Y55-F96 HydrophobicContact CG-CZ 3.86Å; Y55-V97 CarbonylContact C-O 3.56Å; Y55-V97 WeakPolarHBondContact CA-O 3.43Å; Y55-V97 VanDerWaalsContact CB-O 3.27Å; Y55-V97 WeakPolarHBondContact CB-O 3.38Å; Y55-F143 HydrophobicContact CD2-CZ 4.24Å; Y55-F143 AromaticContact CE2-CE1 3.93Å; Y55-F143 HydrophobicContact CE2-CE1 3.93Å; Y55-F143 AromaticContact CE2-CZ 3.7Å; Y55-F143 HydrophobicContact CE2-CZ 3.7Å; Y55-F143 AromaticContact CZ-CZ 3.93Å
56	E	97.4	Very high	95.6	Very high	23 Å²	23	54.1 Å²	54.1	11%	0.107	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	130.4	170.7	173.9	66.1	-86.7	0	0	109	P25 K58 W59 W80 V97	P25-E56 VanDerWaalsContact CB-OE2 3.3Å; P25-E56 WeakPolarHBondContact CB-OE2 3.48Å; P25-E56 HydrophobicContact CG-CG 4.17Å; P25-E56 WeakPolarHBondContact CG-OE2 3.5Å; E56-K58 HydrophobicContact CG-CD 4.22Å; E56-K58 HydrophobicContact CG-CG 3.81Å; E56-K58 WeakPolarHBondContact OE1-CB 3.21Å; E56-K58 PolarHBondContact OE1-N 2.99Å; E56-K58 WeakPolarHBondContact OE2-CE 3.37Å; E56-W59 HydrophobicContact CB-CZ3 4.37Å; E56-W59 HydrophobicContact CG-CE3 3.88Å; E56-W59 HydrophobicContact CG-CH2 4.34Å; E56-W59 HydrophobicContact CG-CZ3 3.58Å; E56-W80 HydrophobicContact CB-CH2 3.74Å; E56-W80 HydrophobicContact CB-CZ2 4.23Å; E56-V97 HydrophobicContact CB-CB 4.3Å; E56-V97 PolarHBondContact N-O 2.93Å; E56-V97 PolarHBondContact O-N 3.11Å
57	D	95.8	Very high	96.4	Very high	50 Å²	50	46.6 Å²	46.6	27%	0.267	23%	0.234	S	C	.	.			trans	-121	-2.2	-173.7	63.5	1.2	0	0	0	112.6	K29 W59 F60 F96	K29-D57 IonicContact NZ-OD1 2.68Å; K29-D57 PolarHBondContact NZ-OD1 2.96Å; K29-D57 IonicContact NZ-OD2 3.13Å; K29-D57 PolarHBondContact NZ-OD2 3.09Å; D57-W59 PolarHBondContact O-N 2.92Å; D57-F60 WeakPolarHBondContact O-CB 3.18Å; D57-F60 PolarHBondContact O-N 2.95Å; D57-F96 HydrophobicContact CB-CD2 3.78Å; D57-F96 HydrophobicContact CB-CE2 3.71Å
58	K	95.3	Very high	96.7	Very high	111 Å²	111	42.2 Å²	42.2	48%	0.483	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.2	-174.8	69.9	179.3	158.4	148.3	0	115.1	P25 E56	P25-K58 VanDerWaalsContact CG-CE 3.49Å; E56-K58 HydrophobicContact CG-CD 4.22Å; E56-K58 HydrophobicContact CG-CG 3.81Å; E56-K58 WeakPolarHBondContact OE1-CB 3.21Å; E56-K58 PolarHBondContact OE1-N 2.99Å; E56-K58 WeakPolarHBondContact OE2-CE 3.37Å
59	W	95	Very high	96.8	Very high	41 Å²	41	38.7 Å²	38.7	16%	0.155	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-11.3	179.7	-54.2	-67.4	0	0	0	113.3	P25 E56 D57 K61 F87 A90 P91 N94 V97	P25-W59 HydrophobicContact CG-CH2 3.86Å; P25-W59 HydrophobicContact CG-CZ3 4.47Å; E56-W59 HydrophobicContact CB-CZ3 4.37Å; E56-W59 HydrophobicContact CG-CE3 3.88Å; E56-W59 HydrophobicContact CG-CH2 4.34Å; E56-W59 HydrophobicContact CG-CZ3 3.58Å; D57-W59 PolarHBondContact O-N 2.92Å; W59-K61 PolarHBondContact O-N 3.28Å; W59-F87 HydrophobicContact CH2-CB 4.09Å; W59-F87 AromaticContact CH2-CD1 3.86Å; W59-F87 HydrophobicContact CH2-CD1 3.86Å; W59-F87 HydrophobicContact CH2-CG 4.49Å; W59-F87 AromaticContact CZ3-CD1 3.96Å; W59-F87 HydrophobicContact CZ3-CD1 3.96Å; W59-A90 HydrophobicContact CD2-CB 4.09Å; W59-A90 HydrophobicContact CE3-CB 3.49Å; W59-A90 VanDerWaalsContact CE3-CB 3.49Å; W59-A90 HydrophobicContact CH2-CB 4.46Å; W59-A90 HydrophobicContact CZ3-CB 3.74Å; W59-P91 HydrophobicContact CD2-CG 4.24Å; W59-P91 HydrophobicContact CG-CB 4.29Å; W59-P91 HydrophobicContact CG-CG 4.29Å; W59-P91 HydrophobicContact CZ2-CG 4.01Å; W59-N94 CarbonylContact O-C 3.55Å; W59-N94 VanDerWaalsContact O-CA 3.22Å; W59-N94 WeakPolarHBondContact O-CA 3.45Å; W59-N94 WeakPolarHBondContact O-CB 3.18Å; W59-V97 HydrophobicContact CE3-CG2 4.37Å; W59-V97 HydrophobicContact CZ3-CG2 4.09Å
60	F	96.3	Very high	96.9	Very high	53 Å²	53	38.2 Å²	38.2	23%	0.232	19%	0.186	C	C	.	.			trans	-65.6	131.3	-172.9	179.3	-111.8	0	0	0	110.6	D57 N94 F96 M145	D57-F60 WeakPolarHBondContact O-CB 3.18Å; D57-F60 PolarHBondContact O-N 2.95Å; F60-N94 WeakPolarHBondContact CA-O 3.49Å; F60-F96 HydrophobicContact CB-CB 4.2Å; F60-F96 HydrophobicContact CB-CD2 4.42Å; F60-F96 HydrophobicContact CD2-CB 3.67Å; F60-F96 HydrophobicContact CE2-CB 4.29Å; F60-F96 HydrophobicContact CG-CB 4.03Å; F60-F96 HydrophobicContact CG-CD2 4.39Å; F60-M145 HydrophobicContact CD1-SD 4.18Å; F60-M145 HydrophobicContact CD2-SD 4.22Å; F60-M145 HydrophobicContact CE1-CG 3.7Å; F60-M145 HydrophobicContact CE1-SD 3.7Å; F60-M145 HydrophobicContact CE2-CG 4.28Å; F60-M145 HydrophobicContact CE2-SD 3.73Å; F60-M145 HydrophobicContact CG-SD 4.42Å; F60-M145 HydrophobicContact CZ-CB 4.25Å; F60-M145 HydrophobicContact CZ-CG 3.47Å; F60-M145 VanDerWaalsContact CZ-CG 3.47Å; F60-M145 HydrophobicContact CZ-SD 3.46Å; F60-M145 WeakPolarHBondContact CZ-SD 3.46Å
61	K	94.5	Very high	96.9	Very high	117 Å²	117	33 Å²	33	51%	0.509	16%	0.164	S	C	.	.			trans	-120.8	156.1	170.1	-66.4	-176.2	-171	150.7	0	109.4	W59 N63 G64 N94	W59-K61 PolarHBondContact O-N 3.28Å; K61-N63 PolarHBondContact O-N 3.22Å; K61-G64 WeakPolarHBondContact O-CA 3.49Å; K61-G64 PolarHBondContact O-N 3.29Å; K61-N94 HydrophobicContact CB-CB 3.85Å; K61-N94 HydrophobicContact CD-CB 4.09Å; K61-N94 VanDerWaalsContact CD-OD1 3.25Å; K61-N94 WeakPolarHBondContact CD-OD1 3.26Å; K61-N94 WeakPolarHBondContact CE-OD1 3.37Å; K61-N94 HydrophobicContact CG-CB 3.92Å; K61-N94 PolarHBondContact N-O 2.8Å; K61-N94 PolarHBondContact NZ-OD1 3.18Å
62	P	91.1	Very high	96.7	Very high	114 Å²	114	33 Å²	33	74%	0.74	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	130.6	176.8	-28.4	35.4	0	0	0	112.5	G64	P62-G64 PolarHBondContact O-N 2.99Å
63	N	89.1	Confident	96.6	Very high	113 Å²	113	34.9 Å²	34.9	60%	0.604	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	8.4	-173.7	-43.7	-62.4	0	0	0	116	K61	K61-N63 PolarHBondContact O-N 3.22Å
64	G	96.2	Very high	96.5	Very high	7 Å²	7	34.8 Å²	34.8	7%	0.072	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-62.5	157.5	168.2	0	0	0	0	0	111.6	K61 P62 S148	K61-G64 WeakPolarHBondContact O-CA 3.49Å; K61-G64 PolarHBondContact O-N 3.29Å; P62-G64 PolarHBondContact O-N 2.99Å; G64-S148 WeakPolarHBondContact O-CB 3.44Å; G64-S148 PolarHBondContact O-OG 3.02Å
65	P	98.2	Very high	96.4	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.039	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-74.4	163	178.1	33.8	-36.6	0	0	0	111.8	F67 F93 A95 F96 L149 L470	P65-F67 HydrophobicContact CB-CD1 4.41Å; P65-F67 HydrophobicContact CB-CE1 4.21Å; P65-F67 HydrophobicContact CG-CD1 4.32Å; P65-F67 HydrophobicContact CG-CE1 3.85Å; P65-F67 HydrophobicContact CG-CZ 4.41Å; P65-F93 WeakPolarHBondContact CD-O 3.35Å; P65-F93 HydrophobicContact CG-CB 4.05Å; P65-A95 HydrophobicContact CG-CB 3.9Å; P65-A95 CarbonylContact O-C 3.56Å; P65-A95 VanDerWaalsContact O-CA 3.24Å; P65-A95 WeakPolarHBondContact O-CA 3.44Å; P65-F96 PolarHBondContact O-N 3.01Å; P65-L149 CarbonylContact C-O 3.59Å; P65-L149 WeakPolarHBondContact CA-O 3.31Å; P65-L470 HydrophobicContact CB-CD1 3.76Å; P65-L470 HydrophobicContact CB-CD2 4.01Å; P65-L470 HydrophobicContact CG-CD1 3.81Å
66	I	98.7	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.5	163.7	-57.4	172	0	0	0	107.3	F68 F96 L98 K140 M145 L149 V150 V151	I66-F68 HydrophobicContact CG2-CB 4.48Å; I66-F96 CarbonylContact C-O 3.11Å; I66-F96 WeakPolarHBondContact CA-O 3.35Å; I66-F96 HydrophobicContact CG1-CB 4.37Å; I66-F96 HydrophobicContact CG2-CD1 4.27Å; I66-L98 HydrophobicContact CG2-CB 4.09Å; I66-L98 HydrophobicContact CG2-CD2 4.44Å; I66-K140 HydrophobicContact CD1-CG 3.74Å; I66-M145 HydrophobicContact CD1-CE 3.72Å; I66-M145 HydrophobicContact CG1-CE 4.05Å; I66-M145 HydrophobicContact CG1-SD 4.38Å; I66-L149 PolarHBondContact N-O 2.64Å; I66-V150 HydrophobicContact CB-CG1 4.23Å; I66-V150 HydrophobicContact CB-CG2 4.19Å; I66-V150 HydrophobicContact CD1-CG2 4.21Å; I66-V150 HydrophobicContact CG2-CG1 4.33Å; I66-V150 WeakPolarHBondContact O-CA 3.4Å; I66-V151 PolarHBondContact O-N 2.73Å
67	F	98.8	Very high	96.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	107.3	166.7	-70.5	-8.5	0	0	0	108.4	P65 I86 L89 A90 F93 A95 F96 L98 V151 F153 I466 L470	P65-F67 HydrophobicContact CB-CD1 4.41Å; P65-F67 HydrophobicContact CB-CE1 4.21Å; P65-F67 HydrophobicContact CG-CD1 4.32Å; P65-F67 HydrophobicContact CG-CE1 3.85Å; P65-F67 HydrophobicContact CG-CZ 4.41Å; F67-I86 HydrophobicContact CB-CG2 3.9Å; F67-I86 HydrophobicContact CD2-CG2 4.14Å; F67-L89 HydrophobicContact CD2-CB 4.49Å; F67-L89 HydrophobicContact CE2-CB 3.64Å; F67-L89 HydrophobicContact CZ-CB 4.39Å; F67-A90 HydrophobicContact CD2-CB 4.44Å; F67-F93 HydrophobicContact CE1-CB 4.49Å; F67-F93 HydrophobicContact CE1-CD1 4.35Å; F67-F93 HydrophobicContact CE1-CG 4.42Å; F67-F93 HydrophobicContact CE2-CB 4.16Å; F67-F93 HydrophobicContact CE2-CD2 4.24Å; F67-F93 HydrophobicContact CE2-CG 4.21Å; F67-F93 HydrophobicContact CZ-CB 3.7Å; F67-F93 AromaticContact CZ-CD1 3.79Å; F67-F93 HydrophobicContact CZ-CD1 3.79Å; F67-F93 AromaticContact CZ-CD2 3.84Å; F67-F93 HydrophobicContact CZ-CD2 3.84Å; F67-F93 HydrophobicContact CZ-CE1 4.31Å; F67-F93 HydrophobicContact CZ-CE2 4.34Å; F67-F93 AromaticContact CZ-CG 3.51Å; F67-F93 HydrophobicContact CZ-CG 3.51Å; F67-A95 HydrophobicContact CD1-CB 4.1Å; F67-A95 HydrophobicContact CD2-CB 3.64Å; F67-A95 HydrophobicContact CE1-CB 4.25Å; F67-A95 HydrophobicContact CE2-CB 3.79Å; F67-A95 HydrophobicContact CG-CB 3.81Å; F67-A95 HydrophobicContact CZ-CB 4.12Å; F67-F96 PolarHBondContact N-O 3.09Å; F67-L98 PolarHBondContact O-N 3.2Å; F67-V151 HydrophobicContact CD1-CB 4.14Å; F67-V151 HydrophobicContact CD1-CG2 4.5Å; F67-V151 HydrophobicContact CE1-CB 4.37Å; F67-V151 HydrophobicContact CE1-CG2 4.34Å; F67-F153 HydrophobicContact CB-CD2 4.26Å; F67-F153 HydrophobicContact CB-CE2 3.73Å; F67-F153 AromaticContact CD1-CE2 3.71Å; F67-F153 HydrophobicContact CD1-CE2 3.71Å; F67-F153 HydrophobicContact CD1-CZ 4.11Å; F67-F153 HydrophobicContact CD2-CE2 4.32Å; F67-F153 HydrophobicContact CD2-CZ 4.4Å; F67-F153 HydrophobicContact CE1-CE2 4.35Å; F67-F153 HydrophobicContact CE1-CZ 4.33Å; F67-F153 AromaticContact CG-CE2 3.67Å; F67-F153 HydrophobicContact CG-CE2 3.67Å; F67-F153 HydrophobicContact CG-CZ 4.13Å; F67-I466 HydrophobicContact CE1-CG2 4.4Å; F67-L470 HydrophobicContact CE1-CD1 4.27Å
68	F	98.9	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.2	-172.6	179.4	-108	0	0	0	110.5	I66 C70 L98 A100 Y132 L135 I136 V150 V151 A152 F153	I66-F68 HydrophobicContact CG2-CB 4.48Å; F68-C70 VanDerWaalsContact CE1-SG 3.58Å; F68-L98 CarbonylContact C-O 3.27Å; F68-L98 VanDerWaalsContact CA-O 3.3Å; F68-L98 WeakPolarHBondContact CA-O 3.46Å; F68-L98 HydrophobicContact CD2-CB 4.2Å; F68-L98 HydrophobicContact CD2-CD2 3.74Å; F68-L98 HydrophobicContact CD2-CG 3.84Å; F68-L98 HydrophobicContact CE2-CD2 4.04Å; F68-L98 HydrophobicContact CE2-CG 4.16Å; F68-A100 HydrophobicContact CE2-CB 3.59Å; F68-A100 HydrophobicContact CZ-CB 3.62Å; F68-Y132 AromaticContact CE1-CD2 3.93Å; F68-Y132 HydrophobicContact CE1-CD2 3.93Å; F68-Y132 AromaticContact CE1-CG 3.84Å; F68-Y132 HydrophobicContact CE1-CG 3.84Å; F68-Y132 AromaticContact CZ-CD1 3.81Å; F68-Y132 HydrophobicContact CZ-CD1 3.81Å; F68-Y132 HydrophobicContact CZ-CD2 4.06Å; F68-Y132 AromaticContact CZ-CG 3.55Å; F68-Y132 HydrophobicContact CZ-CG 3.55Å; F68-L135 HydrophobicContact CE2-CD2 4.43Å; F68-I136 HydrophobicContact CD1-CD1 3.85Å; F68-I136 HydrophobicContact CD2-CD1 4.06Å; F68-I136 HydrophobicContact CD2-CG1 3.87Å; F68-I136 HydrophobicContact CE1-CD1 3.92Å; F68-I136 HydrophobicContact CE2-CD1 4.11Å; F68-I136 HydrophobicContact CE2-CG1 3.88Å; F68-I136 HydrophobicContact CG-CD1 3.91Å; F68-I136 HydrophobicContact CG-CG1 4.2Å; F68-I136 HydrophobicContact CZ-CD1 4.06Å; F68-I136 HydrophobicContact CZ-CG1 4.26Å; F68-V150 HydrophobicContact CB-CG1 3.66Å; F68-V150 HydrophobicContact CG-CG1 4.47Å; F68-V151 PolarHBondContact N-O 3.22Å; F68-A152 HydrophobicContact CD1-CB 4.48Å; F68-A152 CarbonylContact O-C 3.08Å; F68-A152 VanDerWaalsContact O-CA 3.26Å; F68-A152 WeakPolarHBondContact O-CA 3.22Å; F68-F153 PolarHBondContact O-N 2.82Å
69	Y	98.9	Very high	96.4	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.5	172.6	-170.2	-91.2	0	0	0	110.4	G71 N72 I76 F79 T83 I86 L98 F99 A100 F153 L444	Y69-G71 PolarHBondContact O-N 3.07Å; Y69-N72 PolarHBondContact OH-OD1 2.94Å; Y69-I76 HydrophobicContact CD1-CD1 4.11Å; Y69-I76 HydrophobicContact CE1-CD1 4.47Å; Y69-F79 HydrophobicContact CD1-CB 4.48Å; Y69-F79 HydrophobicContact CE1-CB 3.77Å; Y69-F79 HydrophobicContact CE1-CD1 4.34Å; Y69-F79 HydrophobicContact CE1-CG 4.13Å; Y69-T83 HydrophobicContact CD2-CG2 3.69Å; Y69-T83 HydrophobicContact CE2-CG2 3.55Å; Y69-T83 WeakPolarHBondContact CE2-OG1 3.39Å; Y69-I86 HydrophobicContact CD2-CD1 3.76Å; Y69-I86 HydrophobicContact CG-CD1 4.37Å; Y69-L98 PolarHBondContact N-O 3.12Å; Y69-F99 AromaticContact CD1-CD1 3.51Å; Y69-F99 HydrophobicContact CD1-CD1 3.51Å; Y69-F99 AromaticContact CD1-CE1 3.71Å; Y69-F99 HydrophobicContact CD1-CE1 3.71Å; Y69-F99 HydrophobicContact CD1-CG 4.3Å; Y69-F99 HydrophobicContact CD2-CD1 4.46Å; Y69-F99 AromaticContact CD2-CE1 3.91Å; Y69-F99 HydrophobicContact CD2-CE1 3.91Å; Y69-F99 HydrophobicContact CD2-CZ 4.2Å; Y69-F99 HydrophobicContact CE1-CD1 4.38Å; Y69-F99 HydrophobicContact CE1-CE1 4.36Å; Y69-F99 AromaticContact CG-CD1 3.57Å; Y69-F99 HydrophobicContact CG-CD1 3.57Å; Y69-F99 AromaticContact CG-CE1 3.45Å; Y69-F99 HydrophobicContact CG-CE1 3.45Å; Y69-F99 VanDerWaalsContact CG-CE1 3.45Å; Y69-F99 HydrophobicContact CG-CG 4.16Å; Y69-F99 AromaticContact CG-CZ 3.97Å; Y69-F99 HydrophobicContact CG-CZ 3.97Å; Y69-A100 PolarHBondContact O-N 3.33Å; Y69-A100 VanDerWaalsContact O-N 3.15Å; Y69-F153 CarbonylContact C-O 3.51Å; Y69-F153 WeakPolarHBondContact CA-O 3.46Å; Y69-F153 HydrophobicContact CD2-CB 4.09Å; Y69-L444 HydrophobicContact CE2-CD1 4.37Å
70	C	98.8	Very high	96.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	107.6	172.3	-63.1	0	0	0	0	108.9	F68 N72 Y132 F153 L161	F68-C70 VanDerWaalsContact CE1-SG 3.58Å; C70-N72 PolarHBondContact O-N 3.01Å; C70-N72 PolarHBondContact O-OD1 3.01Å; C70-Y132 HydrophobicContact CB-CD2 4.41Å; C70-Y132 HydrophobicContact CB-CE2 3.86Å; C70-F153 PolarHBondContact N-O 2.9Å; C70-L161 HydrophobicContact CB-CB 3.84Å
71	G	97.9	Very high	96.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.171	C	C	.	.			trans	-55.8	128.8	-179.9	0	0	0	0	0	112.7	Y69 A100 Y132	Y69-G71 PolarHBondContact O-N 3.07Å; G71-A100 WeakPolarHBondContact CA-O 3.19Å; G71-A100 PolarHBondContact N-O 3.43Å; G71-Y132 PolarHBondContact N-OH 3.18Å; G71-Y132 PolarHBondContact O-OH 3.44Å
72	N	96	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.152	C	C	.	.			trans	-72.9	-165.8	175.3	-82.7	35.7	0	0	0	111.8	Y69 C70 G74 F79 G155 G158	Y69-N72 PolarHBondContact OH-OD1 2.94Å; C70-N72 PolarHBondContact O-N 3.01Å; C70-N72 PolarHBondContact O-OD1 3.01Å; N72-G74 PolarHBondContact O-N 2.6Å; N72-F79 HydrophobicContact CB-CD1 3.84Å; N72-F79 HydrophobicContact CB-CD2 4.16Å; N72-F79 HydrophobicContact CB-CE1 3.23Å; N72-F79 HydrophobicContact CB-CE2 3.6Å; N72-F79 HydrophobicContact CB-CG 4.28Å; N72-F79 HydrophobicContact CB-CZ 3.13Å; N72-F79 VanDerWaalsContact ND2-CE1 3.3Å; N72-F79 WeakPolarHBondContact ND2-CE1 3.07Å; N72-G155 VanDerWaalsContact CG-O 3.29Å; N72-G155 PolarHBondContact ND2-O 3.12Å; N72-G155 PolarHBondContact OD1-O 3.23Å; N72-G158 WeakPolarHBondContact OD1-CA 3.46Å; N72-G158 PolarHBondContact OD1-N 3.06Å; N72-G158 VanDerWaalsContact OD1-N 3.15Å
73	E	95.9	Very high	96.6	Very high	51 Å²	51	20 Å²	20	24%	0.238	12%	0.118	C	C	.	.	S	Bend	trans	-72.9	44.6	176.7	67.6	-66.7	158.4	0	0	114.7	Y105 Y157 W343	E73-Y105 HydrophobicContact CB-CD1 4.26Å; E73-Y105 HydrophobicContact CB-CE1 3.57Å; E73-Y105 WeakPolarHBondContact O-CD1 3.44Å; E73-Y105 WeakPolarHBondContact O-CE1 3.3Å; E73-Y157 HydrophobicContact CB-CD1 4.34Å; E73-Y157 WeakPolarHBondContact OE2-CB 3.26Å; E73-W343 HydrophobicContact CB-CD2 4.45Å; E73-W343 HydrophobicContact CB-CE3 3.67Å; E73-W343 HydrophobicContact CB-CZ3 4.06Å; E73-W343 HydrophobicContact CG-CE3 4.06Å; E73-W343 HydrophobicContact CG-CZ3 4.29Å
74	G	96.2	Very high	96.9	Very high	6 Å²	6	14.7 Å²	14.7	6%	0.062	9%	0.091	C	C	.	.	S	Bend	trans	-176.5	-173.3	174.4	0	0	0	0	0	115.9	N72 I76 D339	N72-G74 PolarHBondContact O-N 2.6Å; G74-I76 PolarHBondContact O-N 2.86Å; G74-D339 WeakPolarHBondContact CA-OD2 3.45Å
75	G	96.7	Very high	97	Very high	17 Å²	17	14.4 Å²	14.4	18%	0.175	9%	0.088	C	C	.	.			trans	-55.7	124.6	175.8	0	0	0	0	0	113.2	D77 G78 F79 D339	G75-D77 PolarHBondContact O-N 2.73Å; G75-D77 VanDerWaalsContact O-N 3.14Å; G75-G78 PolarHBondContact O-N 2.94Å; G75-G78 VanDerWaalsContact O-N 3.1Å; G75-F79 WeakPolarHBondContact O-CD2 3.32Å; G75-D339 PolarHBondContact N-OD2 2.9Å
76	I	98	Very high	96.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.3	-21.9	-168.9	-165.3	61.8	0	0	0	114	R52 L54 Y69 G74 G78 F79 W80 F99 A100 E101	R52-I76 HydrophobicContact CG-CG2 4.48Å; L54-I76 HydrophobicContact CD1-CG1 4.48Å; L54-I76 HydrophobicContact CD1-CG2 3.68Å; L54-I76 HydrophobicContact CD2-CG2 4.47Å; L54-I76 HydrophobicContact CG-CG2 3.69Å; Y69-I76 HydrophobicContact CD1-CD1 4.11Å; Y69-I76 HydrophobicContact CE1-CD1 4.47Å; G74-I76 PolarHBondContact O-N 2.86Å; I76-G78 VanDerWaalsContact C-N 3.33Å; I76-G78 PolarHBondContact O-N 3.13Å; I76-F79 HydrophobicContact CD1-CB 4.33Å; I76-F79 PolarHBondContact O-N 3.06Å; I76-W80 PolarHBondContact O-N 3.06Å; I76-F99 HydrophobicContact CD1-CB 4.07Å; I76-F99 HydrophobicContact CD1-CD1 4.1Å; I76-F99 HydrophobicContact CG1-CB 3.75Å; I76-F99 HydrophobicContact CG1-CD1 4.36Å; I76-A100 WeakPolarHBondContact CD1-O 3.3Å; I76-E101 HydrophobicContact CB-CB 3.73Å; I76-E101 HydrophobicContact CB-CG 3.89Å; I76-E101 HydrophobicContact CG1-CB 4.41Å; I76-E101 HydrophobicContact CG2-CB 3.77Å; I76-E101 HydrophobicContact CG2-CG 4.1Å; I76-E101 WeakPolarHBondContact CG2-OE2 3.45Å; I76-E101 PolarHBondContact N-OE2 3.03Å
77	D	96.7	Very high	96.9	Very high	62 Å²	62	14.1 Å²	14.1	33%	0.332	9%	0.086	S	C	.	.	H	α-helix	trans	-66.6	-31.6	175.6	49.6	-65.9	0	0	0	113.2	W26 R52 L54 G75 W80 N81	W26-D77 HydrophobicContact CH2-CB 4.23Å; R52-D77 IonicContact CZ-OD1 2.97Å; R52-D77 IonicContact NH1-OD1 3.64Å; R52-D77 PolarHBondContact NH1-OD1 3.47Å; R52-D77 IonicContact NH2-OD1 2.83Å; R52-D77 PolarHBondContact NH2-OD1 3.04Å; L54-D77 HydrophobicContact CD1-CB 4.31Å; G75-D77 PolarHBondContact O-N 2.73Å; G75-D77 VanDerWaalsContact O-N 3.14Å; D77-W80 WeakPolarHBondContact O-CB 3.33Å; D77-W80 PolarHBondContact O-N 3.25Å; D77-N81 PolarHBondContact O-N 2.9Å; D77-N81 VanDerWaalsContact O-N 3.14Å
78	G	94.8	Very high	96.7	Very high	28 Å²	28	17.2 Å²	17.2	29%	0.289	10%	0.101	S	C	.	.	H	α-helix	trans	-62.8	-44.2	172.9	0	0	0	0	0	111.6	G75 I76 N81 N82	G75-G78 PolarHBondContact O-N 2.94Å; G75-G78 VanDerWaalsContact O-N 3.1Å; I76-G78 VanDerWaalsContact C-N 3.33Å; I76-G78 PolarHBondContact O-N 3.13Å; G78-N81 PolarHBondContact O-N 2.93Å; G78-N82 PolarHBondContact O-N 2.83Å; G78-N82 PolarHBondContact O-ND2 2.86Å
79	F	96.8	Very high	96.6	Very high	13 Å²	13	17.7 Å²	17.7	6%	0.057	10%	0.103	C	C	.	.	H	α-helix	trans	-70.9	-39.8	177	-60.8	-76.4	0	0	0	112	Y69 N72 G75 I76 N81 N82 T83 F276	Y69-F79 HydrophobicContact CD1-CB 4.48Å; Y69-F79 HydrophobicContact CE1-CB 3.77Å; Y69-F79 HydrophobicContact CE1-CD1 4.34Å; Y69-F79 HydrophobicContact CE1-CG 4.13Å; N72-F79 HydrophobicContact CB-CD1 3.84Å; N72-F79 HydrophobicContact CB-CD2 4.16Å; N72-F79 HydrophobicContact CB-CE1 3.23Å; N72-F79 HydrophobicContact CB-CE2 3.6Å; N72-F79 HydrophobicContact CB-CG 4.28Å; N72-F79 HydrophobicContact CB-CZ 3.13Å; N72-F79 VanDerWaalsContact ND2-CE1 3.3Å; N72-F79 WeakPolarHBondContact ND2-CE1 3.07Å; G75-F79 WeakPolarHBondContact O-CD2 3.32Å; I76-F79 HydrophobicContact CD1-CB 4.33Å; I76-F79 PolarHBondContact O-N 3.06Å; F79-N81 PolarHBondContact O-N 3.43Å; F79-N82 PolarHBondContact O-N 3.46Å; F79-T83 WeakPolarHBondContact O-CB 3.39Å; F79-T83 PolarHBondContact O-N 3.29Å; F79-T83 PolarHBondContact O-OG1 3.11Å; F79-F276 HydrophobicContact CD1-CE2 4.33Å; F79-F276 AromaticContact CD1-CZ 3.96Å; F79-F276 HydrophobicContact CD1-CZ 3.96Å; F79-F276 HydrophobicContact CE1-CE2 4.2Å; F79-F276 AromaticContact CE1-CZ 3.5Å; F79-F276 HydrophobicContact CE1-CZ 3.5Å; F79-F276 HydrophobicContact CZ-CZ 4.09Å
80	W	97.5	Very high	96.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-50.6	-45.5	171.6	179.9	-83.3	0	0	0	111.9	P25 W26 P28 L54 E56 I76 D77 N82 F87 V97 F99	P25-W80 PolarHBondContact O-NE1 2.73Å; W26-W80 AromaticContact CE3-CD1 3.89Å; W26-W80 AromaticContact CZ3-CD1 3.93Å; P28-W80 HydrophobicContact CB-CD2 3.79Å; P28-W80 HydrophobicContact CB-CE3 4.18Å; P28-W80 HydrophobicContact CB-CG 4.29Å; P28-W80 HydrophobicContact CB-CH2 4.11Å; P28-W80 HydrophobicContact CB-CZ2 3.72Å; P28-W80 HydrophobicContact CB-CZ3 4.33Å; P28-W80 HydrophobicContact CG-CD2 4.4Å; P28-W80 HydrophobicContact CG-CG 4.41Å; L54-W80 HydrophobicContact CB-CD2 4.43Å; L54-W80 HydrophobicContact CB-CE3 3.62Å; L54-W80 HydrophobicContact CB-CZ3 3.79Å; L54-W80 HydrophobicContact CD1-CB 3.89Å; L54-W80 HydrophobicContact CD1-CD2 4.24Å; L54-W80 HydrophobicContact CD1-CE3 4.08Å; L54-W80 HydrophobicContact CD1-CG 4.18Å; E56-W80 HydrophobicContact CB-CH2 3.74Å; E56-W80 HydrophobicContact CB-CZ2 4.23Å; I76-W80 PolarHBondContact O-N 3.06Å; D77-W80 WeakPolarHBondContact O-CB 3.33Å; D77-W80 PolarHBondContact O-N 3.25Å; W80-N82 VanDerWaalsContact C-N 3.32Å; W80-N82 PolarHBondContact O-N 2.85Å; W80-F87 HydrophobicContact CD2-CE1 4.25Å; W80-F87 HydrophobicContact CD2-CE2 4.45Å; W80-F87 AromaticContact CD2-CZ 3.54Å; W80-F87 HydrophobicContact CD2-CZ 3.54Å; W80-F87 AromaticContact CE2-CE1 3.72Å; W80-F87 AromaticContact CE2-CZ 3.4Å; W80-F87 HydrophobicContact CE3-CE1 4.38Å; W80-F87 AromaticContact CE3-CZ 3.77Å; W80-F87 HydrophobicContact CE3-CZ 3.77Å; W80-F87 HydrophobicContact CG-CZ 4.16Å; W80-F87 AromaticContact CH2-CE1 3.58Å; W80-F87 HydrophobicContact CH2-CE1 3.58Å; W80-F87 AromaticContact CH2-CZ 3.82Å; W80-F87 HydrophobicContact CH2-CZ 3.82Å; W80-F87 AromaticContact CZ2-CE1 3.38Å; W80-F87 HydrophobicContact CZ2-CE1 3.38Å; W80-F87 AromaticContact CZ2-CZ 3.57Å; W80-F87 HydrophobicContact CZ2-CZ 3.57Å; W80-F87 HydrophobicContact CZ3-CE1 4.08Å; W80-F87 AromaticContact CZ3-CZ 3.91Å; W80-F87 HydrophobicContact CZ3-CZ 3.91Å; W80-F87 AromaticContact NE1-CZ 3.95Å; W80-F87 WeakPolarHBondContact O-CE2 3.35Å; W80-V97 HydrophobicContact CH2-CG1 4.41Å; W80-V97 HydrophobicContact CZ3-CG1 4.2Å; W80-F99 HydrophobicContact CB-CD1 4.43Å; W80-F99 HydrophobicContact CE3-CB 4.09Å; W80-F99 HydrophobicContact CE3-CD1 4.3Å; W80-F99 AromaticContact CE3-CD2 3.65Å; W80-F99 HydrophobicContact CE3-CD2 3.65Å; W80-F99 HydrophobicContact CE3-CE2 4.11Å; W80-F99 AromaticContact CE3-CG 3.76Å; W80-F99 HydrophobicContact CE3-CG 3.76Å; W80-F99 HydrophobicContact CZ3-CB 4.48Å; W80-F99 AromaticContact CZ3-CD2 3.8Å; W80-F99 HydrophobicContact CZ3-CD2 3.8Å; W80-F99 HydrophobicContact CZ3-CE2 4.34Å; W80-F99 HydrophobicContact CZ3-CG 4.27Å
81	N	94.8	Very high	96.4	Very high	85 Å²	85	19.7 Å²	19.7	46%	0.455	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-9	-177.5	-163	44.8	0	0	0	114.3	I24 W26 D77 G78 F79	I24-N81 WeakPolarHBondContact CD1-O 3.2Å; W26-N81 HydrophobicContact CZ3-CB 4.42Å; D77-N81 PolarHBondContact O-N 2.9Å; D77-N81 VanDerWaalsContact O-N 3.14Å; G78-N81 PolarHBondContact O-N 2.93Å; F79-N81 PolarHBondContact O-N 3.43Å
82	N	94.5	Very high	96.3	Very high	21 Å²	21	22.7 Å²	22.7	11%	0.112	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-8	-176.5	-75.6	-87.1	0	0	0	114.5	G78 F79 W80 G84 F276 R445	G78-N82 PolarHBondContact O-N 2.83Å; G78-N82 PolarHBondContact O-ND2 2.86Å; F79-N82 PolarHBondContact O-N 3.46Å; W80-N82 VanDerWaalsContact C-N 3.32Å; W80-N82 PolarHBondContact O-N 2.85Å; N82-G84 PolarHBondContact O-N 3.05Å; N82-F276 HydrophobicContact CB-CD2 4.06Å; N82-F276 HydrophobicContact CB-CE2 4.34Å; N82-F276 VanDerWaalsContact ND2-CD2 3.31Å; N82-F276 WeakPolarHBondContact ND2-CD2 3.47Å; N82-R445 WeakPolarHBondContact O-CA 3.43Å; N82-R445 PolarHBondContact OD1-NH1 3.28Å; N82-R445 PolarHBondContact OD1-NH2 2.97Å
83	T	95.8	Very high	96.4	Very high	6 Å²	6	22.8 Å²	22.8	4%	0.037	14%	0.138	C	C	.	.			trans	-101.8	60.2	178	-51.3	0	0	0	0	111.1	Y69 F79 L85 I86 F87 F99 L444	Y69-T83 HydrophobicContact CD2-CG2 3.69Å; Y69-T83 HydrophobicContact CE2-CG2 3.55Å; Y69-T83 WeakPolarHBondContact CE2-OG1 3.39Å; F79-T83 WeakPolarHBondContact O-CB 3.39Å; F79-T83 PolarHBondContact O-N 3.29Å; F79-T83 PolarHBondContact O-OG1 3.11Å; T83-L85 VanDerWaalsContact C-N 3.31Å; T83-L85 PolarHBondContact O-N 3.25Å; T83-I86 HydrophobicContact CG2-CD1 3.65Å; T83-I86 HydrophobicContact CG2-CG1 3.93Å; T83-F87 WeakPolarHBondContact O-CD2 3.3Å; T83-F99 HydrophobicContact CG2-CE1 4.46Å; T83-F99 HydrophobicContact CG2-CZ 4.17Å; T83-L444 CarbonylContact C-O 3.54Å; T83-L444 VanDerWaalsContact CA-O 3.31Å; T83-L444 WeakPolarHBondContact CA-O 3.38Å; T83-L444 HydrophobicContact CG2-CB 4.18Å
84	G	95.7	Very high	96.4	Very high	3 Å²	3	22.5 Å²	22.5	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-28.8	-173.6	0	0	0	0	0	115.7	N82 I86 F87 E88 L444 S446	N82-G84 PolarHBondContact O-N 3.05Å; G84-I86 VanDerWaalsContact C-N 3.27Å; G84-I86 PolarHBondContact O-N 2.8Å; G84-F87 PolarHBondContact O-N 3.03Å; G84-F87 VanDerWaalsContact O-N 3.09Å; G84-E88 PolarHBondContact O-N 3.35Å; G84-E88 VanDerWaalsContact O-N 3.12Å; G84-L444 PolarHBondContact N-O 3.27Å; G84-L444 VanDerWaalsContact N-O 3.15Å; G84-S446 WeakPolarHBondContact CA-OG 3.32Å
85	L	96.6	Very high	96.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-54.1	-44.8	-179.3	-179.7	67.9	0	0	0	111.2	T83 F87 E88 L89 L177 D443 L444 R459	T83-L85 VanDerWaalsContact C-N 3.31Å; T83-L85 PolarHBondContact O-N 3.25Å; L85-F87 PolarHBondContact O-N 3.16Å; L85-E88 WeakPolarHBondContact O-CB 3.5Å; L85-E88 PolarHBondContact O-N 2.79Å; L85-E88 VanDerWaalsContact O-N 3.08Å; L85-L89 HydrophobicContact CD1-CD1 4.25Å; L85-L89 HydrophobicContact CD1-CD2 4.22Å; L85-L89 HydrophobicContact CD1-CG 4.12Å; L85-L89 HydrophobicContact CG-CD1 4.08Å; L85-L89 HydrophobicContact CG-CG 4.21Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.24Å; L85-L89 PolarHBondContact O-N 2.76Å; L85-L177 HydrophobicContact CD2-CD2 4.1Å; L85-D443 WeakPolarHBondContact CD2-O 3.46Å; L85-L444 WeakPolarHBondContact CB-O 3.27Å; L85-L444 HydrophobicContact CD2-CD2 4.14Å; L85-L444 PolarHBondContact N-O 3.09Å; L85-R459 HydrophobicContact CD1-CG 4.09Å
86	I	97.7	Very high	96.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-57.9	-39.8	-178.1	-66.7	179.3	0	0	0	111.6	F67 Y69 T83 G84 L89 A90 V97 F99 F153	F67-I86 HydrophobicContact CB-CG2 3.9Å; F67-I86 HydrophobicContact CD2-CG2 4.14Å; Y69-I86 HydrophobicContact CD2-CD1 3.76Å; Y69-I86 HydrophobicContact CG-CD1 4.37Å; T83-I86 HydrophobicContact CG2-CD1 3.65Å; T83-I86 HydrophobicContact CG2-CG1 3.93Å; G84-I86 VanDerWaalsContact C-N 3.27Å; G84-I86 PolarHBondContact O-N 2.8Å; I86-L89 PolarHBondContact O-N 3.32Å; I86-A90 VanDerWaalsContact O-CB 3.31Å; I86-A90 WeakPolarHBondContact O-CB 3.42Å; I86-A90 PolarHBondContact O-N 3.38Å; I86-V97 HydrophobicContact CG2-CB 4.41Å; I86-V97 HydrophobicContact CG2-CG1 3.71Å; I86-V97 HydrophobicContact CG2-CG2 3.88Å; I86-F99 HydrophobicContact CD1-CE2 4.02Å; I86-F99 HydrophobicContact CD1-CZ 3.86Å; I86-F99 HydrophobicContact CG2-CE2 4.21Å; I86-F153 HydrophobicContact CD1-CB 3.64Å; I86-F153 HydrophobicContact CD1-CD1 4.26Å; I86-F153 HydrophobicContact CD1-CD2 4.02Å; I86-F153 HydrophobicContact CD1-CG 3.73Å; I86-F153 HydrophobicContact CG1-CB 4.37Å; I86-F153 HydrophobicContact CG1-CD1 4.07Å; I86-F153 HydrophobicContact CG1-CD2 4.31Å; I86-F153 HydrophobicContact CG1-CE1 4.44Å; I86-F153 HydrophobicContact CG1-CG 4.01Å
87	F	97.6	Very high	96.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-75.5	-29.4	179.9	-58.6	-75.4	0	0	0	113	S22 I24 P25 W59 W80 T83 G84 L85 P91 V97 F99	S22-F87 PolarHBondContact OG-O 3.39Å; S22-F87 VanDerWaalsContact OG-O 3.09Å; I24-F87 HydrophobicContact CB-CD2 4.33Å; I24-F87 HydrophobicContact CD1-CD2 4.39Å; I24-F87 HydrophobicContact CG1-CD2 3.84Å; I24-F87 HydrophobicContact CG1-CE2 4.4Å; I24-F87 HydrophobicContact CG1-CG 4.4Å; I24-F87 HydrophobicContact CG2-CD2 3.93Å; I24-F87 HydrophobicContact CG2-CE2 3.78Å; I24-F87 HydrophobicContact CG2-CG 4.41Å; I24-F87 HydrophobicContact CG2-CZ 4.14Å; P25-F87 VanDerWaalsContact CD-CD1 3.48Å; P25-F87 HydrophobicContact CG-CD1 4.21Å; W59-F87 HydrophobicContact CH2-CB 4.09Å; W59-F87 AromaticContact CH2-CD1 3.86Å; W59-F87 HydrophobicContact CH2-CD1 3.86Å; W59-F87 HydrophobicContact CH2-CG 4.49Å; W59-F87 AromaticContact CZ3-CD1 3.96Å; W59-F87 HydrophobicContact CZ3-CD1 3.96Å; W80-F87 HydrophobicContact CD2-CE1 4.25Å; W80-F87 HydrophobicContact CD2-CE2 4.45Å; W80-F87 AromaticContact CD2-CZ 3.54Å; W80-F87 HydrophobicContact CD2-CZ 3.54Å; W80-F87 AromaticContact CE2-CE1 3.72Å; W80-F87 AromaticContact CE2-CZ 3.4Å; W80-F87 HydrophobicContact CE3-CE1 4.38Å; W80-F87 AromaticContact CE3-CZ 3.77Å; W80-F87 HydrophobicContact CE3-CZ 3.77Å; W80-F87 HydrophobicContact CG-CZ 4.16Å; W80-F87 AromaticContact CH2-CE1 3.58Å; W80-F87 HydrophobicContact CH2-CE1 3.58Å; W80-F87 AromaticContact CH2-CZ 3.82Å; W80-F87 HydrophobicContact CH2-CZ 3.82Å; W80-F87 AromaticContact CZ2-CE1 3.38Å; W80-F87 HydrophobicContact CZ2-CE1 3.38Å; W80-F87 AromaticContact CZ2-CZ 3.57Å; W80-F87 HydrophobicContact CZ2-CZ 3.57Å; W80-F87 HydrophobicContact CZ3-CE1 4.08Å; W80-F87 AromaticContact CZ3-CZ 3.91Å; W80-F87 HydrophobicContact CZ3-CZ 3.91Å; W80-F87 AromaticContact NE1-CZ 3.95Å; W80-F87 WeakPolarHBondContact O-CE2 3.35Å; T83-F87 WeakPolarHBondContact O-CD2 3.3Å; G84-F87 PolarHBondContact O-N 3.03Å; G84-F87 VanDerWaalsContact O-N 3.09Å; L85-F87 PolarHBondContact O-N 3.16Å; F87-P91 WeakPolarHBondContact O-CD 3.34Å; F87-V97 HydrophobicContact CD1-CG1 4.43Å; F87-V97 HydrophobicContact CE1-CB 4.48Å; F87-V97 HydrophobicContact CE1-CG1 3.77Å; F87-V97 HydrophobicContact CZ-CG1 4.15Å; F87-F99 HydrophobicContact CE2-CE2 4.19Å; F87-F99 AromaticContact CE2-CZ 3.99Å; F87-F99 HydrophobicContact CE2-CZ 3.99Å; F87-F99 AromaticContact CZ-CE2 3.83Å; F87-F99 HydrophobicContact CZ-CE2 3.83Å; F87-F99 HydrophobicContact CZ-CZ 4.05Å
88	E	95.6	Very high	96.7	Very high	65 Å²	65	18.5 Å²	18.5	30%	0.304	11%	0.111	S	C	.	.	H	α-helix	trans	-66.6	-40.6	170.6	-176.1	-173.9	-168	0	0	111.6	S22 G84 L85 P91 P447	S22-E88 WeakPolarHBondContact OG-CA 3.18Å; G84-E88 PolarHBondContact O-N 3.35Å; G84-E88 VanDerWaalsContact O-N 3.12Å; L85-E88 WeakPolarHBondContact O-CB 3.5Å; L85-E88 PolarHBondContact O-N 2.79Å; L85-E88 VanDerWaalsContact O-N 3.08Å; E88-P91 WeakPolarHBondContact O-CD 3.39Å; E88-P447 WeakPolarHBondContact OE1-CG 3.46Å; E88-P447 WeakPolarHBondContact OE2-CD 3.37Å; E88-P447 WeakPolarHBondContact OE2-CG 3.32Å
89	L	96.3	Very high	96.9	Very high	9 Å²	9	17.2 Å²	17.2	5%	0.047	10%	0.097	C	C	.	.	H	α-helix	trans	-77	-40.5	-177.5	-59.5	-169.7	0	0	0	112.2	F67 L85 I86 P91 S92 F93 V463	F67-L89 HydrophobicContact CD2-CB 4.49Å; F67-L89 HydrophobicContact CE2-CB 3.64Å; F67-L89 HydrophobicContact CZ-CB 4.39Å; L85-L89 HydrophobicContact CD1-CD1 4.25Å; L85-L89 HydrophobicContact CD1-CD2 4.22Å; L85-L89 HydrophobicContact CD1-CG 4.12Å; L85-L89 HydrophobicContact CG-CD1 4.08Å; L85-L89 HydrophobicContact CG-CG 4.21Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.24Å; L85-L89 PolarHBondContact O-N 2.76Å; I86-L89 PolarHBondContact O-N 3.32Å; L89-P91 VanDerWaalsContact C-CD 3.45Å; L89-P91 VanDerWaalsContact O-N 3.16Å; L89-S92 PolarHBondContact O-N 3.42Å; L89-S92 PolarHBondContact O-OG 3.08Å; L89-F93 HydrophobicContact CB-CD2 4.14Å; L89-F93 HydrophobicContact CB-CE2 4.22Å; L89-F93 WeakPolarHBondContact O-CD2 3.37Å; L89-F93 PolarHBondContact O-N 3.21Å; L89-V463 HydrophobicContact CD1-CG2 3.82Å; L89-V463 HydrophobicContact CD2-CG2 3.29Å; L89-V463 HydrophobicContact CG-CG2 4.18Å
90	A	97.4	Very high	97	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-48.6	-44	-171.8	0	0	0	0	0	115.5	W59 F67 I86 S92 F93 N94 A95 V97	W59-A90 HydrophobicContact CD2-CB 4.09Å; W59-A90 HydrophobicContact CE3-CB 3.49Å; W59-A90 VanDerWaalsContact CE3-CB 3.49Å; W59-A90 HydrophobicContact CH2-CB 4.46Å; W59-A90 HydrophobicContact CZ3-CB 3.74Å; F67-A90 HydrophobicContact CD2-CB 4.44Å; I86-A90 VanDerWaalsContact O-CB 3.31Å; I86-A90 WeakPolarHBondContact O-CB 3.42Å; I86-A90 PolarHBondContact O-N 3.38Å; A90-S92 PolarHBondContact O-N 3.26Å; A90-F93 PolarHBondContact O-N 2.9Å; A90-N94 WeakPolarHBondContact O-CA 3.47Å; A90-N94 PolarHBondContact O-N 3.29Å; A90-A95 HydrophobicContact CB-CB 4.09Å; A90-A95 PolarHBondContact O-N 2.96Å; A90-V97 HydrophobicContact CB-CG2 3.55Å
91	P	96.4	Very high	97.1	Very high	46 Å²	46	16.6 Å²	16.6	30%	0.299	10%	0.095	S	C	.	.	H	α-helix	trans	-57.2	-44.6	175.4	-15.6	18.4	0	0	0	113.7	W59 F87 E88 L89 F93 N94	W59-P91 HydrophobicContact CD2-CG 4.24Å; W59-P91 HydrophobicContact CG-CB 4.29Å; W59-P91 HydrophobicContact CG-CG 4.29Å; W59-P91 HydrophobicContact CZ2-CG 4.01Å; F87-P91 WeakPolarHBondContact O-CD 3.34Å; E88-P91 WeakPolarHBondContact O-CD 3.39Å; L89-P91 VanDerWaalsContact C-CD 3.45Å; L89-P91 VanDerWaalsContact O-N 3.16Å; P91-F93 VanDerWaalsContact C-N 3.35Å; P91-N94 PolarHBondContact O-N 3.32Å
92	S	95.5	Very high	97.2	Very high	63 Å²	63	12.5 Å²	12.5	44%	0.441	7%	0.073	S	C	.	.	H	α-helix	trans	-75.9	-25.5	-174	73.6	0	0	0	0	113.1	L89 A90	L89-S92 PolarHBondContact O-N 3.42Å; L89-S92 PolarHBondContact O-OG 3.08Å; A90-S92 PolarHBondContact O-N 3.26Å
93	F	97.3	Very high	97.4	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.009	7%	0.068	C	C	.	.	H	α-helix	trans	-92.3	-7.9	175.2	-75.6	-101.8	0	0	0	113	P65 F67 L89 A90 P91 A95 V463 I466 R467 L470 L472	P65-F93 WeakPolarHBondContact CD-O 3.35Å; P65-F93 HydrophobicContact CG-CB 4.05Å; F67-F93 HydrophobicContact CE1-CB 4.49Å; F67-F93 HydrophobicContact CE1-CD1 4.35Å; F67-F93 HydrophobicContact CE1-CG 4.42Å; F67-F93 HydrophobicContact CE2-CB 4.16Å; F67-F93 HydrophobicContact CE2-CD2 4.24Å; F67-F93 HydrophobicContact CE2-CG 4.21Å; F67-F93 HydrophobicContact CZ-CB 3.7Å; F67-F93 AromaticContact CZ-CD1 3.79Å; F67-F93 HydrophobicContact CZ-CD1 3.79Å; F67-F93 AromaticContact CZ-CD2 3.84Å; F67-F93 HydrophobicContact CZ-CD2 3.84Å; F67-F93 HydrophobicContact CZ-CE1 4.31Å; F67-F93 HydrophobicContact CZ-CE2 4.34Å; F67-F93 AromaticContact CZ-CG 3.51Å; F67-F93 HydrophobicContact CZ-CG 3.51Å; L89-F93 HydrophobicContact CB-CD2 4.14Å; L89-F93 HydrophobicContact CB-CE2 4.22Å; L89-F93 WeakPolarHBondContact O-CD2 3.37Å; L89-F93 PolarHBondContact O-N 3.21Å; A90-F93 PolarHBondContact O-N 2.9Å; P91-F93 VanDerWaalsContact C-N 3.35Å; F93-A95 HydrophobicContact CB-CB 4.2Å; F93-A95 PolarHBondContact O-N 2.98Å; F93-V463 HydrophobicContact CE2-CG1 4.17Å; F93-V463 HydrophobicContact CZ-CG1 4.28Å; F93-I466 HydrophobicContact CE1-CG2 3.79Å; F93-I466 HydrophobicContact CZ-CB 4.4Å; F93-I466 HydrophobicContact CZ-CG2 3.98Å; F93-R467 HydrophobicContact CE1-CB 4.36Å; F93-R467 HydrophobicContact CE1-CG 3.55Å; F93-R467 HydrophobicContact CE2-CG 4.31Å; F93-R467 HydrophobicContact CZ-CB 4.44Å; F93-R467 HydrophobicContact CZ-CG 3.38Å; F93-L470 HydrophobicContact CD1-CD1 3.66Å; F93-L470 HydrophobicContact CE1-CD1 3.84Å; F93-L472 HydrophobicContact CD1-CD1 3.45Å; F93-L472 VanDerWaalsContact CD1-CD1 3.45Å; F93-L472 HydrophobicContact CE1-CD1 4.02Å; F93-L472 HydrophobicContact CG-CD1 4.34Å
94	N	96.9	Very high	97.5	Very high	46 Å²	46	11.2 Å²	11.2	25%	0.246	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	41.9	-167.6	-44.3	-80.6	0	0	0	112	W59 F60 K61 A90 P91	W59-N94 CarbonylContact O-C 3.55Å; W59-N94 VanDerWaalsContact O-CA 3.22Å; W59-N94 WeakPolarHBondContact O-CA 3.45Å; W59-N94 WeakPolarHBondContact O-CB 3.18Å; F60-N94 WeakPolarHBondContact CA-O 3.49Å; K61-N94 HydrophobicContact CB-CB 3.85Å; K61-N94 HydrophobicContact CD-CB 4.09Å; K61-N94 VanDerWaalsContact CD-OD1 3.25Å; K61-N94 WeakPolarHBondContact CD-OD1 3.26Å; K61-N94 WeakPolarHBondContact CE-OD1 3.37Å; K61-N94 HydrophobicContact CG-CB 3.92Å; K61-N94 PolarHBondContact N-O 2.8Å; K61-N94 PolarHBondContact NZ-OD1 3.18Å; A90-N94 WeakPolarHBondContact O-CA 3.47Å; A90-N94 PolarHBondContact O-N 3.29Å; P91-N94 PolarHBondContact O-N 3.32Å
95	A	98.1	Very high	97.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-83.4	147.9	-170.5	0	0	0	0	0	112.6	P65 F67 A90 F93	P65-A95 HydrophobicContact CG-CB 3.9Å; P65-A95 CarbonylContact O-C 3.56Å; P65-A95 VanDerWaalsContact O-CA 3.24Å; P65-A95 WeakPolarHBondContact O-CA 3.44Å; F67-A95 HydrophobicContact CD1-CB 4.1Å; F67-A95 HydrophobicContact CD2-CB 3.64Å; F67-A95 HydrophobicContact CE1-CB 4.25Å; F67-A95 HydrophobicContact CE2-CB 3.79Å; F67-A95 HydrophobicContact CG-CB 3.81Å; F67-A95 HydrophobicContact CZ-CB 4.12Å; A90-A95 HydrophobicContact CB-CB 4.09Å; A90-A95 PolarHBondContact O-N 2.96Å; F93-A95 HydrophobicContact CB-CB 4.2Å; F93-A95 PolarHBondContact O-N 2.98Å
96	F	98.2	Very high	97.7	Very high	1 Å²	1	12 Å²	12	0%	0.004	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.8	158.9	-174.5	-81.8	0	0	0	108.3	Y55 D57 F60 P65 I66 F67 L98 I139 F143 M145	Y55-F96 HydrophobicContact CD2-CE1 4.34Å; Y55-F96 AromaticContact CD2-CE2 3.89Å; Y55-F96 HydrophobicContact CD2-CE2 3.89Å; Y55-F96 AromaticContact CD2-CZ 3.45Å; Y55-F96 HydrophobicContact CD2-CZ 3.45Å; Y55-F96 VanDerWaalsContact CD2-CZ 3.45Å; Y55-F96 HydrophobicContact CE2-CZ 4.34Å; Y55-F96 HydrophobicContact CG-CE1 4.4Å; Y55-F96 AromaticContact CG-CZ 3.86Å; Y55-F96 HydrophobicContact CG-CZ 3.86Å; D57-F96 HydrophobicContact CB-CD2 3.78Å; D57-F96 HydrophobicContact CB-CE2 3.71Å; F60-F96 HydrophobicContact CB-CB 4.2Å; F60-F96 HydrophobicContact CB-CD2 4.42Å; F60-F96 HydrophobicContact CD2-CB 3.67Å; F60-F96 HydrophobicContact CE2-CB 4.29Å; F60-F96 HydrophobicContact CG-CB 4.03Å; F60-F96 HydrophobicContact CG-CD2 4.39Å; P65-F96 PolarHBondContact O-N 3.01Å; I66-F96 CarbonylContact C-O 3.11Å; I66-F96 WeakPolarHBondContact CA-O 3.35Å; I66-F96 HydrophobicContact CG1-CB 4.37Å; I66-F96 HydrophobicContact CG2-CD1 4.27Å; F67-F96 PolarHBondContact N-O 3.09Å; F96-L98 HydrophobicContact CD1-CB 4.1Å; F96-L98 HydrophobicContact CE1-CB 3.92Å; F96-L98 HydrophobicContact CE1-CD1 4.36Å; F96-I139 HydrophobicContact CE1-CG2 4.11Å; F96-I139 HydrophobicContact CZ-CG2 4.21Å; F96-F143 AromaticContact CE2-CD1 3.98Å; F96-F143 HydrophobicContact CE2-CD1 3.98Å; F96-F143 HydrophobicContact CE2-CE1 4.04Å; F96-F143 HydrophobicContact CE2-CG 4.24Å; F96-F143 HydrophobicContact CE2-CZ 4.36Å; F96-F143 HydrophobicContact CZ-CD2 4.45Å; F96-F143 HydrophobicContact CZ-CE1 4.39Å; F96-F143 HydrophobicContact CZ-CE2 4.28Å; F96-F143 HydrophobicContact CZ-CZ 4.24Å; F96-M145 HydrophobicContact CB-CE 4.36Å; F96-M145 HydrophobicContact CB-SD 3.88Å; F96-M145 HydrophobicContact CD1-CE 3.99Å; F96-M145 HydrophobicContact CD2-CE 3.86Å; F96-M145 HydrophobicContact CD2-SD 3.65Å; F96-M145 HydrophobicContact CE1-CE 4.19Å; F96-M145 HydrophobicContact CE2-CE 4.06Å; F96-M145 HydrophobicContact CE2-SD 4.28Å; F96-M145 HydrophobicContact CG-CE 3.82Å; F96-M145 HydrophobicContact CG-SD 3.79Å; F96-M145 HydrophobicContact CZ-CE 4.21Å
97	V	98.6	Very high	97.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127	178.4	177.1	0	0	0	0	109.2	Y55 E56 W59 W80 I86 F87 A90 F99	Y55-V97 CarbonylContact C-O 3.56Å; Y55-V97 WeakPolarHBondContact CA-O 3.43Å; Y55-V97 VanDerWaalsContact CB-O 3.27Å; Y55-V97 WeakPolarHBondContact CB-O 3.38Å; E56-V97 HydrophobicContact CB-CB 4.3Å; E56-V97 PolarHBondContact N-O 2.93Å; E56-V97 PolarHBondContact O-N 3.11Å; W59-V97 HydrophobicContact CE3-CG2 4.37Å; W59-V97 HydrophobicContact CZ3-CG2 4.09Å; W80-V97 HydrophobicContact CH2-CG1 4.41Å; W80-V97 HydrophobicContact CZ3-CG1 4.2Å; I86-V97 HydrophobicContact CG2-CB 4.41Å; I86-V97 HydrophobicContact CG2-CG1 3.71Å; I86-V97 HydrophobicContact CG2-CG2 3.88Å; F87-V97 HydrophobicContact CD1-CG1 4.43Å; F87-V97 HydrophobicContact CE1-CB 4.48Å; F87-V97 HydrophobicContact CE1-CG1 3.77Å; F87-V97 HydrophobicContact CZ-CG1 4.15Å; A90-V97 HydrophobicContact CB-CG2 3.55Å; V97-F99 HydrophobicContact CG1-CD2 3.73Å; V97-F99 HydrophobicContact CG1-CE2 3.51Å
98	L	98.7	Very high	97.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.4	-178.8	-179.5	58.9	0	0	0	110.1	Y53 I66 F67 F68 Y69 F96 I139	Y53-L98 HydrophobicContact CD2-CD1 3.58Å; Y53-L98 HydrophobicContact CE2-CD1 4.35Å; Y53-L98 HydrophobicContact CG-CD1 4.16Å; I66-L98 HydrophobicContact CG2-CB 4.09Å; I66-L98 HydrophobicContact CG2-CD2 4.44Å; F67-L98 PolarHBondContact O-N 3.2Å; F68-L98 CarbonylContact C-O 3.27Å; F68-L98 VanDerWaalsContact CA-O 3.3Å; F68-L98 WeakPolarHBondContact CA-O 3.46Å; F68-L98 HydrophobicContact CD2-CB 4.2Å; F68-L98 HydrophobicContact CD2-CD2 3.74Å; F68-L98 HydrophobicContact CD2-CG 3.84Å; F68-L98 HydrophobicContact CE2-CD2 4.04Å; F68-L98 HydrophobicContact CE2-CG 4.16Å; Y69-L98 PolarHBondContact N-O 3.12Å; F96-L98 HydrophobicContact CD1-CB 4.1Å; F96-L98 HydrophobicContact CE1-CB 3.92Å; F96-L98 HydrophobicContact CE1-CD1 4.36Å; L98-I139 HydrophobicContact CD2-CB 4.34Å; L98-I139 HydrophobicContact CD2-CG1 4.1Å; L98-I139 HydrophobicContact CD2-CG2 4.23Å
99	F	98.8	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.4	174.4	-81.3	-122.3	0	0	0	108.5	Y53 L54 Y69 I76 W80 T83 I86 F87 V97	Y53-F99 CarbonylContact C-O 3.57Å; Y53-F99 VanDerWaalsContact CA-O 3.26Å; Y53-F99 WeakPolarHBondContact CA-O 3.37Å; Y53-F99 WeakPolarHBondContact CB-O 2.8Å; L54-F99 HydrophobicContact CB-CB 4.22Å; L54-F99 PolarHBondContact N-O 2.94Å; L54-F99 PolarHBondContact O-N 3.09Å; Y69-F99 AromaticContact CD1-CD1 3.51Å; Y69-F99 HydrophobicContact CD1-CD1 3.51Å; Y69-F99 AromaticContact CD1-CE1 3.71Å; Y69-F99 HydrophobicContact CD1-CE1 3.71Å; Y69-F99 HydrophobicContact CD1-CG 4.3Å; Y69-F99 HydrophobicContact CD2-CD1 4.46Å; Y69-F99 AromaticContact CD2-CE1 3.91Å; Y69-F99 HydrophobicContact CD2-CE1 3.91Å; Y69-F99 HydrophobicContact CD2-CZ 4.2Å; Y69-F99 HydrophobicContact CE1-CD1 4.38Å; Y69-F99 HydrophobicContact CE1-CE1 4.36Å; Y69-F99 AromaticContact CG-CD1 3.57Å; Y69-F99 HydrophobicContact CG-CD1 3.57Å; Y69-F99 AromaticContact CG-CE1 3.45Å; Y69-F99 HydrophobicContact CG-CE1 3.45Å; Y69-F99 VanDerWaalsContact CG-CE1 3.45Å; Y69-F99 HydrophobicContact CG-CG 4.16Å; Y69-F99 AromaticContact CG-CZ 3.97Å; Y69-F99 HydrophobicContact CG-CZ 3.97Å; I76-F99 HydrophobicContact CD1-CB 4.07Å; I76-F99 HydrophobicContact CD1-CD1 4.1Å; I76-F99 HydrophobicContact CG1-CB 3.75Å; I76-F99 HydrophobicContact CG1-CD1 4.36Å; W80-F99 HydrophobicContact CB-CD1 4.43Å; W80-F99 HydrophobicContact CE3-CB 4.09Å; W80-F99 HydrophobicContact CE3-CD1 4.3Å; W80-F99 AromaticContact CE3-CD2 3.65Å; W80-F99 HydrophobicContact CE3-CD2 3.65Å; W80-F99 HydrophobicContact CE3-CE2 4.11Å; W80-F99 AromaticContact CE3-CG 3.76Å; W80-F99 HydrophobicContact CE3-CG 3.76Å; W80-F99 HydrophobicContact CZ3-CB 4.48Å; W80-F99 AromaticContact CZ3-CD2 3.8Å; W80-F99 HydrophobicContact CZ3-CD2 3.8Å; W80-F99 HydrophobicContact CZ3-CE2 4.34Å; W80-F99 HydrophobicContact CZ3-CG 4.27Å; T83-F99 HydrophobicContact CG2-CE1 4.46Å; T83-F99 HydrophobicContact CG2-CZ 4.17Å; I86-F99 HydrophobicContact CD1-CE2 4.02Å; I86-F99 HydrophobicContact CD1-CZ 3.86Å; I86-F99 HydrophobicContact CG2-CE2 4.21Å; F87-F99 HydrophobicContact CE2-CE2 4.19Å; F87-F99 AromaticContact CE2-CZ 3.99Å; F87-F99 HydrophobicContact CE2-CZ 3.99Å; F87-F99 AromaticContact CZ-CE2 3.83Å; F87-F99 HydrophobicContact CZ-CE2 3.83Å; F87-F99 HydrophobicContact CZ-CZ 4.05Å; V97-F99 HydrophobicContact CG1-CD2 3.73Å; V97-F99 HydrophobicContact CG1-CE2 3.51Å
100	A	98.8	Very high	97.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.2	179.2	0	0	0	0	0	110.7	F68 Y69 G71 I76 Y132 L135	F68-A100 HydrophobicContact CE2-CB 3.59Å; F68-A100 HydrophobicContact CZ-CB 3.62Å; Y69-A100 PolarHBondContact O-N 3.33Å; Y69-A100 VanDerWaalsContact O-N 3.15Å; G71-A100 WeakPolarHBondContact CA-O 3.19Å; G71-A100 PolarHBondContact N-O 3.43Å; I76-A100 WeakPolarHBondContact CD1-O 3.3Å; A100-Y132 HydrophobicContact CB-CD1 3.67Å; A100-Y132 HydrophobicContact CB-CE1 3.55Å; A100-L135 HydrophobicContact CB-CD2 3.47Å; A100-L135 VanDerWaalsContact CB-CD2 3.47Å
101	E	98.8	Very high	97.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-74.3	137.3	171.9	-163.9	168.5	71.3	0	0	109.7	Q51 R52 I76 K107 S108	Q51-E101 PolarHBondContact NE2-O 3.16Å; R52-E101 HydrophobicContact CB-CB 4.06Å; R52-E101 WeakPolarHBondContact CB-OE1 3.39Å; R52-E101 WeakPolarHBondContact CD-OE1 3.41Å; R52-E101 IonicContact CZ-OE2 3.93Å; R52-E101 IonicContact NH1-OE2 3.99Å; R52-E101 PolarHBondContact NH1-OE2 2.76Å; R52-E101 VanDerWaalsContact O-CB 3.29Å; R52-E101 WeakPolarHBondContact O-CB 3.32Å; R52-E101 PolarHBondContact O-N 3.36Å; I76-E101 HydrophobicContact CB-CB 3.73Å; I76-E101 HydrophobicContact CB-CG 3.89Å; I76-E101 HydrophobicContact CG1-CB 4.41Å; I76-E101 HydrophobicContact CG2-CB 3.77Å; I76-E101 HydrophobicContact CG2-CG 4.1Å; I76-E101 WeakPolarHBondContact CG2-OE2 3.45Å; I76-E101 PolarHBondContact N-OE2 3.03Å; E101-K107 WeakPolarHBondContact OE1-CA 3.39Å; E101-K107 PolarHBondContact OE1-N 3.22Å; E101-S108 WeakPolarHBondContact CB-OG 3.45Å; E101-S108 WeakPolarHBondContact OE1-CB 3.32Å; E101-S108 PolarHBondContact OE1-N 3.33Å; E101-S108 PolarHBondContact OE1-OG 2.66Å
102	H	98.7	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-70.2	142	177.5	-166.4	-71.5	0	0	0	110.2	Y104 Y105 A128 Y157	H102-Y104 PolarHBondContact O-N 2.8Å; H102-Y105 HydrophobicContact CB-CD2 3.74Å; H102-Y105 HydrophobicContact CB-CG 4.44Å; H102-Y105 AromaticContact CG-CD2 3.75Å; H102-Y105 AromaticContact ND1-CD2 3.48Å; H102-Y105 WeakPolarHBondContact ND1-CD2 3.5Å; H102-Y105 AromaticContact ND1-CE2 3.72Å; H102-Y105 PolarHBondContact O-N 2.88Å; H102-Y105 VanDerWaalsContact O-N 3.17Å; H102-A128 VanDerWaalsContact CE1-CB 3.48Å; H102-A128 WeakPolarHBondContact CE1-CB 3.26Å; H102-A128 WeakPolarHBondContact NE2-CB 3.3Å; H102-Y157 AromaticContact CD2-CE1 3.68Å; H102-Y157 AromaticContact NE2-CE1 3.62Å; H102-Y157 AromaticContact NE2-CZ 3.59Å; H102-Y157 PolarHBondContact NE2-OH 2.83Å
103	R	98.2	Very high	97.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	143.4	171.1	58.7	167.2	60.6	-157.5	-3.2	110.4	T36 L37 F49 Y105 Y122 Q127 A128 D131	T36-R103 PolarHBondContact O-NH2 3.03Å; L37-R103 PolarHBondContact O-NH1 2.97Å; L37-R103 PolarHBondContact O-NH2 3.2Å; F49-R103 HydrophobicContact CE2-CB 4.11Å; F49-R103 HydrophobicContact CZ-CB 3.8Å; R103-Y105 PolarHBondContact O-N 3.16Å; R103-Y122 WeakPolarHBondContact CD-O 3.12Å; R103-Y122 PolarHBondContact NH1-O 2.74Å; R103-Q127 VanDerWaalsContact CZ-CB 3.47Å; R103-A128 HydrophobicContact CG-CB 4.44Å; R103-D131 IonicContact CZ-OD1 3.16Å; R103-D131 IonicContact CZ-OD2 2.66Å; R103-D131 VanDerWaalsContact CZ-OD2 3.3Å; R103-D131 IonicContact NE-OD1 2.6Å; R103-D131 IonicContact NE-OD2 2.78Å; R103-D131 PolarHBondContact NE-OD2 2.79Å; R103-D131 VanDerWaalsContact NH2-CG 3.26Å; R103-D131 IonicContact NH2-OD1 3.09Å; R103-D131 PolarHBondContact NH2-OD1 2.84Å; R103-D131 IonicContact NH2-OD2 3.54Å; R103-D131 PolarHBondContact NH2-OD2 2.8Å; R103-D131 VanDerWaalsContact NH2-OD2 3.13Å
104	Y	98.4	Very high	97.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	-1.5	-176.7	-64	-103.2	0	0	0	116.8	H102 S108 L109 P110 S114 F115 Y119 I120 Y122 L123	H102-Y104 PolarHBondContact O-N 2.8Å; Y104-S108 PolarHBondContact N-O 2.89Å; Y104-L109 WeakPolarHBondContact O-CD2 3.34Å; Y104-P110 HydrophobicContact CD2-CG 4.14Å; Y104-P110 HydrophobicContact CE2-CG 3.55Å; Y104-S114 WeakPolarHBondContact CE1-O 3.27Å; Y104-F115 HydrophobicContact CD1-CE1 4.25Å; Y104-Y119 PolarHBondContact OH-O 3.4Å; Y104-I120 HydrophobicContact CE1-CG1 4.44Å; Y104-Y122 WeakPolarHBondContact OH-CB 3.29Å; Y104-L123 HydrophobicContact CD1-CB 4.24Å; Y104-L123 HydrophobicContact CD2-CB 3.67Å; Y104-L123 HydrophobicContact CD2-CD1 4.13Å; Y104-L123 HydrophobicContact CD2-CG 4.35Å; Y104-L123 HydrophobicContact CE2-CB 4Å; Y104-L123 HydrophobicContact CG-CB 3.84Å; Y104-L123 HydrophobicContact CG-CD1 4.27Å; Y104-L123 HydrophobicContact CG-CD2 4.12Å; Y104-L123 HydrophobicContact CG-CG 4.29Å
105	Y	98.4	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-110.1	152	172.7	-68.2	-83.2	0	0	0	111.3	E73 H102 R103 K107 S108 L123 D339 A342 W343 Q346	E73-Y105 HydrophobicContact CB-CD1 4.26Å; E73-Y105 HydrophobicContact CB-CE1 3.57Å; E73-Y105 WeakPolarHBondContact O-CD1 3.44Å; E73-Y105 WeakPolarHBondContact O-CE1 3.3Å; H102-Y105 HydrophobicContact CB-CD2 3.74Å; H102-Y105 HydrophobicContact CB-CG 4.44Å; H102-Y105 AromaticContact CG-CD2 3.75Å; H102-Y105 AromaticContact ND1-CD2 3.48Å; H102-Y105 WeakPolarHBondContact ND1-CD2 3.5Å; H102-Y105 AromaticContact ND1-CE2 3.72Å; H102-Y105 PolarHBondContact O-N 2.88Å; H102-Y105 VanDerWaalsContact O-N 3.17Å; R103-Y105 PolarHBondContact O-N 3.16Å; Y105-K107 PolarHBondContact O-N 2.87Å; Y105-S108 PolarHBondContact O-N 2.85Å; Y105-S108 VanDerWaalsContact O-N 3.09Å; Y105-L123 HydrophobicContact CE2-CD1 4.42Å; Y105-D339 HydrophobicContact CD1-CB 3.86Å; Y105-D339 HydrophobicContact CE1-CB 4.29Å; Y105-D339 WeakPolarHBondContact CE1-O 3.34Å; Y105-A342 HydrophobicContact CD1-CB 3.92Å; Y105-A342 HydrophobicContact CD2-CB 4.32Å; Y105-A342 HydrophobicContact CE1-CB 3.44Å; Y105-A342 VanDerWaalsContact CE1-CB 3.44Å; Y105-A342 HydrophobicContact CE2-CB 3.9Å; Y105-A342 HydrophobicContact CG-CB 4.36Å; Y105-A342 VanDerWaalsContact CZ-CB 3.44Å; Y105-W343 VanDerWaalsContact OH-CA 3.31Å; Y105-W343 WeakPolarHBondContact OH-CA 3.36Å; Y105-W343 PolarHBondContact OH-N 2.98Å; Y105-Q346 VanDerWaalsContact CE2-OE1 3.26Å; Y105-Q346 PolarHBondContact OH-OE1 3.13Å
106	G	97.5	Very high	97.9	Very high	20 Å²	20	30.6 Å²	30.6	21%	0.206	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	-122.2	178.4	0	0	0	0	0	112.7	D339	G106-D339 PolarHBondContact N-OD1 3.38Å
107	K	97.9	Very high	97.7	Very high	107 Å²	107	35 Å²	35	47%	0.465	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.2	-179.9	-53.7	-175.1	-168.6	167.5	0	113.2	E30 Y32 E101 Y105 L109	E30-K107 IonicContact OE1-NZ 3.78Å; E30-K107 PolarHBondContact OE1-NZ 2.97Å; E30-K107 IonicContact OE2-NZ 3.89Å; Y32-K107 WeakPolarHBondContact OH-CD 3.27Å; E101-K107 WeakPolarHBondContact OE1-CA 3.39Å; E101-K107 PolarHBondContact OE1-N 3.22Å; Y105-K107 PolarHBondContact O-N 2.87Å; K107-L109 PolarHBondContact O-N 2.84Å
108	S	98.6	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.			trans	-87.2	56.6	-173.2	-63.4	0	0	0	0	112.3	R52 E101 Y104 Y105	R52-S108 VanDerWaalsContact CB-OG 3.3Å; R52-S108 WeakPolarHBondContact CB-OG 3.25Å; R52-S108 PolarHBondContact N-OG 2.78Å; E101-S108 WeakPolarHBondContact CB-OG 3.45Å; E101-S108 WeakPolarHBondContact OE1-CB 3.32Å; E101-S108 PolarHBondContact OE1-N 3.33Å; E101-S108 PolarHBondContact OE1-OG 2.66Å; Y104-S108 PolarHBondContact N-O 2.89Å; Y105-S108 PolarHBondContact O-N 2.85Å; Y105-S108 VanDerWaalsContact O-N 3.09Å
109	L	98.1	Very high	97.3	Very high	61 Å²	61	42.7 Å²	42.7	32%	0.319	22%	0.218	S	C	.	.			trans	-96.6	120.3	-176.4	-57.8	-174.3	0	0	0	111	Y104 K107 F111 F115	Y104-L109 WeakPolarHBondContact O-CD2 3.34Å; K107-L109 PolarHBondContact O-N 2.84Å; L109-F111 VanDerWaalsContact C-N 3.27Å; L109-F111 PolarHBondContact O-N 2.94Å; L109-F115 HydrophobicContact CD1-CE2 4.32Å; L109-F115 HydrophobicContact CD2-CE2 4.25Å; L109-F115 HydrophobicContact CD2-CZ 3.76Å
110	P	97	Very high	97.3	Very high	19 Å²	19	42.7 Å²	42.7	12%	0.123	22%	0.218	C	C	.	.	S	Bend	trans	-68	-23.9	-178.6	-23.5	35.6	0	0	0	115.2	L37 F49 Y104	L37-P110 HydrophobicContact CD1-CB 3.6Å; L37-P110 HydrophobicContact CD1-CG 4.25Å; F49-P110 HydrophobicContact CB-CB 3.84Å; F49-P110 HydrophobicContact CB-CG 4.34Å; F49-P110 HydrophobicContact CD1-CB 4.34Å; F49-P110 HydrophobicContact CD1-CG 4.2Å; F49-P110 HydrophobicContact CD2-CB 4.36Å; F49-P110 HydrophobicContact CD2-CG 3.93Å; F49-P110 HydrophobicContact CE2-CG 4.28Å; F49-P110 HydrophobicContact CG-CB 3.93Å; F49-P110 HydrophobicContact CG-CG 3.9Å; Y104-P110 HydrophobicContact CD2-CG 4.14Å; Y104-P110 HydrophobicContact CE2-CG 3.55Å
111	F	96.8	Very high	97.1	Very high	51 Å²	51	47.6 Å²	47.6	22%	0.224	24%	0.241	C	C	.	.	S	Bend	trans	-138.3	154.1	-179.3	-50.4	-86.6	0	0	0	111.7	L37 L109 T113 S114 Y119 Y122	L37-F111 HydrophobicContact CD1-CE2 3.79Å; L37-F111 HydrophobicContact CD1-CZ 3.79Å; L37-F111 HydrophobicContact CD2-CE1 4.46Å; L37-F111 HydrophobicContact CD2-CE2 4.42Å; L37-F111 HydrophobicContact CD2-CZ 3.64Å; L37-F111 HydrophobicContact CG-CZ 4.37Å; L109-F111 VanDerWaalsContact C-N 3.27Å; L109-F111 PolarHBondContact O-N 2.94Å; F111-T113 PolarHBondContact O-N 3.04Å; F111-S114 PolarHBondContact N-OG 2.86Å; F111-S114 WeakPolarHBondContact O-CB 3.09Å; F111-S114 PolarHBondContact O-N 2.96Å; F111-S114 VanDerWaalsContact O-N 3.16Å; F111-S114 PolarHBondContact O-OG 2.87Å; F111-Y119 HydrophobicContact CB-CD1 4.45Å; F111-Y119 HydrophobicContact CB-CG 4.43Å; F111-Y119 AromaticContact CD1-CD1 3.64Å; F111-Y119 HydrophobicContact CD1-CD1 3.64Å; F111-Y119 HydrophobicContact CD1-CE1 4.07Å; F111-Y119 HydrophobicContact CD1-CG 4.41Å; F111-Y119 AromaticContact CD2-CD1 3.92Å; F111-Y119 HydrophobicContact CD2-CD1 3.92Å; F111-Y119 HydrophobicContact CD2-CG 4.11Å; F111-Y119 AromaticContact CE1-CD1 3.73Å; F111-Y119 HydrophobicContact CE1-CD1 3.73Å; F111-Y119 HydrophobicContact CE1-CE1 4.15Å; F111-Y119 AromaticContact CE2-CD1 4Å; F111-Y119 HydrophobicContact CE2-CD1 4Å; F111-Y119 HydrophobicContact CE2-CG 4.48Å; F111-Y119 AromaticContact CG-CD1 3.73Å; F111-Y119 HydrophobicContact CG-CD1 3.73Å; F111-Y119 HydrophobicContact CG-CG 4.06Å; F111-Y119 AromaticContact CZ-CD1 3.89Å; F111-Y119 HydrophobicContact CZ-CD1 3.89Å; F111-Y122 AromaticContact CE2-CD2 3.78Å; F111-Y122 HydrophobicContact CE2-CD2 3.78Å; F111-Y122 AromaticContact CE2-CE2 3.97Å; F111-Y122 HydrophobicContact CE2-CE2 3.97Å; F111-Y122 HydrophobicContact CZ-CD2 4.16Å; F111-Y122 AromaticContact CZ-CE2 3.91Å; F111-Y122 HydrophobicContact CZ-CE2 3.91Å
112	N	95.1	Very high	97	Very high	179 Å²	179	49.5 Å²	49.5	96%	0.957	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.9	170.5	-68.5	-15.2	0	0	0	112.2
113	T	96	Very high	97	Very high	54 Å²	54	49.6 Å²	49.6	33%	0.331	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	40.9	177	53.4	0	0	0	0	111.4	F111 F115 Q116 Y119	F111-T113 PolarHBondContact O-N 3.04Å; T113-F115 PolarHBondContact O-N 3.01Å; T113-F115 VanDerWaalsContact O-N 3.09Å; T113-Q116 PolarHBondContact O-N 3.11Å; T113-Q116 VanDerWaalsContact O-N 3.14Å; T113-Y119 WeakPolarHBondContact OG1-CD2 3.33Å; T113-Y119 WeakPolarHBondContact OG1-CE2 3.42Å
114	S	97.9	Very high	97	Very high	1 Å²	1	51 Å²	51	1%	0.007	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-37	-174.9	-74.5	0	0	0	0	113.6	Y104 F111 Q116 Y119 I120	Y104-S114 WeakPolarHBondContact CE1-O 3.27Å; F111-S114 PolarHBondContact N-OG 2.86Å; F111-S114 WeakPolarHBondContact O-CB 3.09Å; F111-S114 PolarHBondContact O-N 2.96Å; F111-S114 VanDerWaalsContact O-N 3.16Å; F111-S114 PolarHBondContact O-OG 2.87Å; S114-Q116 VanDerWaalsContact C-N 3.27Å; S114-Q116 PolarHBondContact O-N 3.01Å; S114-Y119 CarbonylContact O-C 3.34Å; S114-I120 WeakPolarHBondContact O-CA 3.46Å; S114-I120 VanDerWaalsContact O-CB 3.31Å; S114-I120 WeakPolarHBondContact O-CB 3.21Å; S114-I120 PolarHBondContact O-N 2.76Å; S114-I120 VanDerWaalsContact O-N 3.15Å
115	F	97.7	Very high	97	Very high	36 Å²	36	51 Å²	51	16%	0.158	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	26.5	-175.9	-49.3	-70.3	0	0	0	114.5	Y104 L109 T113 I120 S338 L341 A342 W383	Y104-F115 HydrophobicContact CD1-CE1 4.25Å; L109-F115 HydrophobicContact CD1-CE2 4.32Å; L109-F115 HydrophobicContact CD2-CE2 4.25Å; L109-F115 HydrophobicContact CD2-CZ 3.76Å; T113-F115 PolarHBondContact O-N 3.01Å; T113-F115 VanDerWaalsContact O-N 3.09Å; F115-I120 HydrophobicContact CB-CD1 4.4Å; F115-I120 HydrophobicContact CD1-CD1 4.21Å; F115-S338 VanDerWaalsContact CE2-CB 3.45Å; F115-L341 HydrophobicContact CB-CB 4.37Å; F115-L341 HydrophobicContact CB-CD1 3.99Å; F115-L341 HydrophobicContact CD1-CB 3.81Å; F115-L341 HydrophobicContact CD2-CD1 4.11Å; F115-L341 HydrophobicContact CE1-CB 4.3Å; F115-L341 HydrophobicContact CG-CB 4.02Å; F115-L341 HydrophobicContact CG-CD1 3.96Å; F115-A342 HydrophobicContact CE1-CB 4.03Å; F115-W383 WeakPolarHBondContact O-CZ3 3.3Å
116	Q	97	Very high	96.9	Very high	114 Å²	114	52.4 Å²	52.4	53%	0.533	27%	0.266	S	S	.	.	S	Bend	trans	-123.4	151.7	177.4	-62	178.8	19	0	0	109.9	T113 S114 Y119 I120	T113-Q116 PolarHBondContact O-N 3.11Å; T113-Q116 VanDerWaalsContact O-N 3.14Å; S114-Q116 VanDerWaalsContact C-N 3.27Å; S114-Q116 PolarHBondContact O-N 3.01Å; Q116-Y119 CarbonylContact O-C 3.58Å; Q116-Y119 WeakPolarHBondContact O-CA 3.35Å; Q116-Y119 WeakPolarHBondContact O-CB 3.16Å; Q116-Y119 PolarHBondContact O-N 3.46Å; Q116-I120 PolarHBondContact O-N 2.85Å
117	Q	94.8	Very high	96.9	Very high	92 Å²	92	52 Å²	52	43%	0.43	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	143.2	168.5	-71	-66.9	-6.4	0	0	110.4	Y119 W383	Q117-Y119 VanDerWaalsContact C-N 3.34Å; Q117-W383 PolarHBondContact NE2-O 3.34Å
118	P	93.2	Very high	97	Very high	71 Å²	71	46.9 Å²	46.9	46%	0.461	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.2	6.2	-3.5	38.4	-36.6	0	0	0	113.2	I120 Q121	P118-I120 PolarHBondContact O-N 2.9Å; P118-Q121 WeakPolarHBondContact O-CG 3.43Å; P118-Q121 PolarHBondContact O-NE2 3.47Å
119	Y	96.1	Very high	97	Very high	91 Å²	91	46.9 Å²	46.9	36%	0.357	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-70.1	-30.5	-171	-54.6	-65.3	0	0	0	114.5	Y104 F111 T113 S114 Q116 Q117 Q121 Y122	Y104-Y119 PolarHBondContact OH-O 3.4Å; F111-Y119 HydrophobicContact CB-CD1 4.45Å; F111-Y119 HydrophobicContact CB-CG 4.43Å; F111-Y119 AromaticContact CD1-CD1 3.64Å; F111-Y119 HydrophobicContact CD1-CD1 3.64Å; F111-Y119 HydrophobicContact CD1-CE1 4.07Å; F111-Y119 HydrophobicContact CD1-CG 4.41Å; F111-Y119 AromaticContact CD2-CD1 3.92Å; F111-Y119 HydrophobicContact CD2-CD1 3.92Å; F111-Y119 HydrophobicContact CD2-CG 4.11Å; F111-Y119 AromaticContact CE1-CD1 3.73Å; F111-Y119 HydrophobicContact CE1-CD1 3.73Å; F111-Y119 HydrophobicContact CE1-CE1 4.15Å; F111-Y119 AromaticContact CE2-CD1 4Å; F111-Y119 HydrophobicContact CE2-CD1 4Å; F111-Y119 HydrophobicContact CE2-CG 4.48Å; F111-Y119 AromaticContact CG-CD1 3.73Å; F111-Y119 HydrophobicContact CG-CD1 3.73Å; F111-Y119 HydrophobicContact CG-CG 4.06Å; F111-Y119 AromaticContact CZ-CD1 3.89Å; F111-Y119 HydrophobicContact CZ-CD1 3.89Å; T113-Y119 WeakPolarHBondContact OG1-CD2 3.33Å; T113-Y119 WeakPolarHBondContact OG1-CE2 3.42Å; S114-Y119 CarbonylContact O-C 3.34Å; Q116-Y119 CarbonylContact O-C 3.58Å; Q116-Y119 WeakPolarHBondContact O-CA 3.35Å; Q116-Y119 WeakPolarHBondContact O-CB 3.16Å; Q116-Y119 PolarHBondContact O-N 3.46Å; Q117-Y119 VanDerWaalsContact C-N 3.34Å; Y119-Q121 PolarHBondContact O-N 3.2Å; Y119-Y122 WeakPolarHBondContact O-CD2 3.28Å
120	I	97.6	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-70.7	-17.6	-177.6	-162.1	168	0	0	0	113.4	Y104 S114 F115 Q116 P118 Y122 L123 F345 W383	Y104-I120 HydrophobicContact CE1-CG1 4.44Å; S114-I120 WeakPolarHBondContact O-CA 3.46Å; S114-I120 VanDerWaalsContact O-CB 3.31Å; S114-I120 WeakPolarHBondContact O-CB 3.21Å; S114-I120 PolarHBondContact O-N 2.76Å; S114-I120 VanDerWaalsContact O-N 3.15Å; F115-I120 HydrophobicContact CB-CD1 4.4Å; F115-I120 HydrophobicContact CD1-CD1 4.21Å; Q116-I120 PolarHBondContact O-N 2.85Å; P118-I120 PolarHBondContact O-N 2.9Å; I120-Y122 PolarHBondContact O-N 3.22Å; I120-L123 WeakPolarHBondContact O-CB 3.21Å; I120-L123 PolarHBondContact O-N 3.39Å; I120-F345 HydrophobicContact CB-CE2 4.44Å; I120-F345 HydrophobicContact CD1-CB 3.53Å; I120-F345 HydrophobicContact CD1-CD1 4.12Å; I120-F345 HydrophobicContact CD1-CD2 3.59Å; I120-F345 HydrophobicContact CD1-CE2 4.31Å; I120-F345 HydrophobicContact CD1-CG 3.46Å; I120-F345 VanDerWaalsContact CD1-CG 3.46Å; I120-F345 HydrophobicContact CG1-CB 4.22Å; I120-F345 HydrophobicContact CG1-CD1 3.85Å; I120-F345 HydrophobicContact CG1-CD2 3.88Å; I120-F345 HydrophobicContact CG1-CE1 4.14Å; I120-F345 HydrophobicContact CG1-CE2 4.17Å; I120-F345 HydrophobicContact CG1-CG 3.69Å; I120-F345 HydrophobicContact CG1-CZ 4.29Å; I120-F345 HydrophobicContact CG2-CD2 3.94Å; I120-F345 HydrophobicContact CG2-CE2 3.56Å; I120-F345 HydrophobicContact CG2-CZ 3.93Å; I120-F345 WeakPolarHBondContact O-CE1 3.41Å; I120-W383 HydrophobicContact CD1-CE3 3.78Å; I120-W383 HydrophobicContact CD1-CH2 3.68Å; I120-W383 HydrophobicContact CD1-CZ2 4.42Å; I120-W383 HydrophobicContact CD1-CZ3 3.32Å; I120-W383 HydrophobicContact CG2-CE3 4.45Å
121	Q	95.6	Very high	97.1	Very high	104 Å²	104	43.1 Å²	43.1	49%	0.486	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-59.9	-19.5	-174.8	80.6	-174.6	-66.5	0	0	114.7	P118 Y119 L123	P118-Q121 WeakPolarHBondContact O-CG 3.43Å; P118-Q121 PolarHBondContact O-NE2 3.47Å; Y119-Q121 PolarHBondContact O-N 3.2Å; Q121-L123 VanDerWaalsContact C-N 3.26Å; Q121-L123 PolarHBondContact O-N 3.37Å
122	Y	96.8	Very high	97.2	Very high	40 Å²	40	40.7 Å²	40.7	16%	0.157	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-84.9	3.2	179.6	-50.2	-79.6	0	0	0	113.4	L37 D38 R103 Y104 F111 Y119 I120	L37-Y122 HydrophobicContact CD1-CD2 4.05Å; L37-Y122 HydrophobicContact CD1-CG 4.1Å; L37-Y122 HydrophobicContact CD2-CD2 4.33Å; L37-Y122 HydrophobicContact CD2-CE1 4.27Å; L37-Y122 HydrophobicContact CD2-CE2 3.98Å; L37-Y122 HydrophobicContact CG-CD1 4.22Å; L37-Y122 HydrophobicContact CG-CD2 4.28Å; L37-Y122 HydrophobicContact CG-CE1 4.33Å; L37-Y122 HydrophobicContact CG-CE2 4.4Å; L37-Y122 HydrophobicContact CG-CG 4.18Å; D38-Y122 HydrophobicContact CB-CD1 4.01Å; D38-Y122 HydrophobicContact CB-CE1 4Å; R103-Y122 WeakPolarHBondContact CD-O 3.12Å; R103-Y122 PolarHBondContact NH1-O 2.74Å; Y104-Y122 WeakPolarHBondContact OH-CB 3.29Å; F111-Y122 AromaticContact CE2-CD2 3.78Å; F111-Y122 HydrophobicContact CE2-CD2 3.78Å; F111-Y122 AromaticContact CE2-CE2 3.97Å; F111-Y122 HydrophobicContact CE2-CE2 3.97Å; F111-Y122 HydrophobicContact CZ-CD2 4.16Å; F111-Y122 AromaticContact CZ-CE2 3.91Å; F111-Y122 HydrophobicContact CZ-CE2 3.91Å; Y119-Y122 WeakPolarHBondContact O-CD2 3.28Å; I120-Y122 PolarHBondContact O-N 3.22Å
123	L	98.2	Very high	97.4	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.163	C	C	.	.			trans	-84	107.3	168.4	176.7	50.4	0	0	0	109.8	Y104 Y105 I120 Q121 A342 F345 Q346	Y104-L123 HydrophobicContact CD1-CB 4.24Å; Y104-L123 HydrophobicContact CD2-CB 3.67Å; Y104-L123 HydrophobicContact CD2-CD1 4.13Å; Y104-L123 HydrophobicContact CD2-CG 4.35Å; Y104-L123 HydrophobicContact CE2-CB 4Å; Y104-L123 HydrophobicContact CG-CB 3.84Å; Y104-L123 HydrophobicContact CG-CD1 4.27Å; Y104-L123 HydrophobicContact CG-CD2 4.12Å; Y104-L123 HydrophobicContact CG-CG 4.29Å; Y105-L123 HydrophobicContact CE2-CD1 4.42Å; I120-L123 WeakPolarHBondContact O-CB 3.21Å; I120-L123 PolarHBondContact O-N 3.39Å; Q121-L123 VanDerWaalsContact C-N 3.26Å; Q121-L123 PolarHBondContact O-N 3.37Å; L123-A342 HydrophobicContact CD2-CB 3.71Å; L123-A342 WeakPolarHBondContact CD2-O 3.33Å; L123-F345 HydrophobicContact CB-CD1 3.99Å; L123-F345 HydrophobicContact CB-CE1 4.13Å; L123-F345 HydrophobicContact CD2-CB 4.39Å; L123-F345 HydrophobicContact CD2-CD1 3.93Å; L123-F345 HydrophobicContact CG-CD1 4.06Å; L123-Q346 HydrophobicContact CD1-CG 4.02Å; L123-Q346 HydrophobicContact CD2-CG 3.91Å; L123-Q346 HydrophobicContact CG-CG 3.73Å
124	S	97.9	Very high	97.4	Very high	28 Å²	28	36 Å²	36	20%	0.196	17%	0.17	C	C	.	.			trans	-154.5	159.9	168.8	68.9	0	0	0	0	111.2	D126 Q127 A128 E350	S124-D126 VanDerWaalsContact C-N 3.33Å; S124-D126 PolarHBondContact O-N 2.81Å; S124-Q127 PolarHBondContact O-N 3.13Å; S124-Q127 VanDerWaalsContact OG-CG 3.27Å; S124-Q127 WeakPolarHBondContact OG-CG 3.24Å; S124-Q127 PolarHBondContact OG-N 2.89Å; S124-A128 PolarHBondContact O-N 2.81Å; S124-A128 VanDerWaalsContact O-N 3.14Å; S124-E350 WeakPolarHBondContact CA-OE1 3.48Å
125	I	98.3	Very high	97.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-55.5	-48.7	173.8	-76.3	160	0	0	0	110.4	Q127 A128 L129 Y157 L161 Y164 E350 M351 L392 Y396	I125-Q127 VanDerWaalsContact C-N 3.31Å; I125-Q127 PolarHBondContact O-N 3Å; I125-A128 WeakPolarHBondContact O-CB 3.39Å; I125-A128 PolarHBondContact O-N 2.67Å; I125-A128 VanDerWaalsContact O-N 3.08Å; I125-L129 HydrophobicContact CG2-CD1 3.79Å; I125-L129 HydrophobicContact CG2-CG 4.08Å; I125-L129 VanDerWaalsContact O-CG 3.3Å; I125-L129 WeakPolarHBondContact O-CG 3.19Å; I125-L129 PolarHBondContact O-N 3.38Å; I125-Y157 HydrophobicContact CD1-CE2 4.05Å; I125-Y157 HydrophobicContact CG1-CE2 3.77Å; I125-Y157 WeakPolarHBondContact CG1-OH 3.48Å; I125-L161 HydrophobicContact CG1-CD2 4.26Å; I125-L161 HydrophobicContact CG2-CD2 3.97Å; I125-Y164 HydrophobicContact CD1-CE2 4.48Å; I125-Y164 HydrophobicContact CG2-CD2 3.87Å; I125-Y164 HydrophobicContact CG2-CE2 4.23Å; I125-E350 HydrophobicContact CD1-CG 4Å; I125-E350 WeakPolarHBondContact CG1-OE1 3.33Å; I125-E350 PolarHBondContact N-OE1 3.5Å; I125-E350 PolarHBondContact N-OE2 2.93Å; I125-M351 HydrophobicContact CD1-CE 4.26Å; I125-L392 HydrophobicContact CD1-CD1 4.03Å; I125-L392 HydrophobicContact CD1-CD2 3.71Å; I125-L392 HydrophobicContact CD1-CG 4.47Å; I125-Y396 HydrophobicContact CG2-CE2 4.4Å
126	D	97.3	Very high	97.5	Very high	30 Å²	30	34.2 Å²	34.2	16%	0.16	16%	0.163	C	C	.	.	H	α-helix	trans	-63.7	-35.9	-175.2	-82.2	-31.7	0	0	0	113.4	F40 S124 A130 K168 F395 Y396	F40-D126 HydrophobicContact CE2-CB 4.07Å; F40-D126 HydrophobicContact CZ-CB 4.24Å; S124-D126 VanDerWaalsContact C-N 3.33Å; S124-D126 PolarHBondContact O-N 2.81Å; D126-A130 WeakPolarHBondContact O-CB 3.35Å; D126-A130 PolarHBondContact O-N 3.34Å; D126-A130 VanDerWaalsContact O-N 3.09Å; D126-K168 IonicContact OD1-NZ 3.59Å; D126-K168 PolarHBondContact OD1-NZ 3.19Å; D126-F395 WeakPolarHBondContact OD2-CE2 3.43Å; D126-Y396 PolarHBondContact OD1-OH 2.88Å
127	Q	97.8	Very high	97.6	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.047	16%	0.156	C	C	.	.	H	α-helix	trans	-67.4	-40.6	174	-71.2	-75.1	27	0	0	111.6	D38 H39 F40 R103 S124 I125 A130 D131	D38-Q127 PolarHBondContact OD1-NE2 3.41Å; H39-Q127 PolarHBondContact CD2-OE1 3.13Å; H39-Q127 VanDerWaalsContact CD2-OE1 3.29Å; F40-Q127 HydrophobicContact CD2-CG 4.34Å; F40-Q127 HydrophobicContact CE2-CG 4.27Å; R103-Q127 VanDerWaalsContact CZ-CB 3.47Å; S124-Q127 PolarHBondContact O-N 3.13Å; S124-Q127 VanDerWaalsContact OG-CG 3.27Å; S124-Q127 WeakPolarHBondContact OG-CG 3.24Å; S124-Q127 PolarHBondContact OG-N 2.89Å; I125-Q127 VanDerWaalsContact C-N 3.31Å; I125-Q127 PolarHBondContact O-N 3Å; Q127-A130 PolarHBondContact O-N 3.06Å; Q127-D131 PolarHBondContact O-N 3.32Å
128	A	98.6	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.7	-38.9	176.9	0	0	0	0	0	112.8	H102 R103 S124 I125 A130 D131 Y132	H102-A128 VanDerWaalsContact CE1-CB 3.48Å; H102-A128 WeakPolarHBondContact CE1-CB 3.26Å; H102-A128 WeakPolarHBondContact NE2-CB 3.3Å; R103-A128 HydrophobicContact CG-CB 4.44Å; S124-A128 PolarHBondContact O-N 2.81Å; S124-A128 VanDerWaalsContact O-N 3.14Å; I125-A128 WeakPolarHBondContact O-CB 3.39Å; I125-A128 PolarHBondContact O-N 2.67Å; I125-A128 VanDerWaalsContact O-N 3.08Å; A128-A130 VanDerWaalsContact C-N 3.34Å; A128-A130 PolarHBondContact O-N 3.15Å; A128-D131 WeakPolarHBondContact O-CB 3.36Å; A128-D131 PolarHBondContact O-N 2.78Å; A128-Y132 VanDerWaalsContact O-CG 3.23Å; A128-Y132 PolarHBondContact O-N 3.08Å
129	L	98.8	Very high	97.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.8	-41.2	174.5	-62.6	175.5	0	0	0	111.4	I125 Y132 A133 L161 M165 K168 Y169 Y396	I125-L129 HydrophobicContact CG2-CD1 3.79Å; I125-L129 HydrophobicContact CG2-CG 4.08Å; I125-L129 VanDerWaalsContact O-CG 3.3Å; I125-L129 WeakPolarHBondContact O-CG 3.19Å; I125-L129 PolarHBondContact O-N 3.38Å; L129-Y132 PolarHBondContact O-N 3.1Å; L129-A133 PolarHBondContact O-N 3.27Å; L129-L161 HydrophobicContact CD2-CB 4.27Å; L129-L161 HydrophobicContact CD2-CD2 3.92Å; L129-L161 HydrophobicContact CG-CD2 4.42Å; L129-M165 HydrophobicContact CB-SD 3.9Å; L129-M165 HydrophobicContact CD2-CB 4.44Å; L129-M165 HydrophobicContact CD2-CG 3.55Å; L129-M165 HydrophobicContact CD2-SD 3.64Å; L129-M165 HydrophobicContact CG-SD 4.38Å; L129-M165 VanDerWaalsContact O-SD 3.34Å; L129-K168 HydrophobicContact CD1-CD 4.21Å; L129-Y169 HydrophobicContact CB-CE2 4.01Å; L129-Y396 WeakPolarHBondContact CD1-OH 3.28Å
130	A	98.4	Very high	97.9	Very high	2 Å²	2	22.4 Å²	22.4	2%	0.017	11%	0.109	C	C	.	.	H	α-helix	trans	-64.3	-42.2	173.7	0	0	0	0	0	111.4	H39 F40 D126 Q127 A128 Y132 A133 Y134	H39-A130 HydrophobicContact CB-CB 3.8Å; H39-A130 WeakPolarHBondContact CD2-CB 3.4Å; H39-A130 VanDerWaalsContact CG-CB 3.49Å; F40-A130 HydrophobicContact CE2-CB 4.33Å; F40-A130 HydrophobicContact CZ-CB 3.99Å; D126-A130 WeakPolarHBondContact O-CB 3.35Å; D126-A130 PolarHBondContact O-N 3.34Å; D126-A130 VanDerWaalsContact O-N 3.09Å; Q127-A130 PolarHBondContact O-N 3.06Å; A128-A130 VanDerWaalsContact C-N 3.34Å; A128-A130 PolarHBondContact O-N 3.15Å; A130-Y132 VanDerWaalsContact C-N 3.3Å; A130-Y132 PolarHBondContact O-N 3.42Å; A130-A133 PolarHBondContact O-N 2.93Å; A130-Y134 WeakPolarHBondContact O-CD2 3.48Å; A130-Y134 PolarHBondContact O-N 2.86Å
131	D	98.7	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-54.3	-48.7	175	-72.3	-18	0	0	0	112	Q35 H39 R103 Q127 A128 A133 Y134 L135	Q35-D131 HydrophobicContact CG-CB 4.13Å; Q35-D131 WeakPolarHBondContact CG-OD1 3.43Å; Q35-D131 PolarHBondContact NE2-O 2.8Å; H39-D131 IonicContact CD2-OD1 2.79Å; H39-D131 PolarHBondContact CD2-OD1 2.79Å; H39-D131 IonicContact CE1-OD1 3.49Å; H39-D131 IonicContact NE2-OD1 3.38Å; H39-D131 PolarHBondContact NE2-OD1 2.87Å; R103-D131 IonicContact CZ-OD1 3.16Å; R103-D131 IonicContact CZ-OD2 2.66Å; R103-D131 VanDerWaalsContact CZ-OD2 3.3Å; R103-D131 IonicContact NE-OD1 2.6Å; R103-D131 IonicContact NE-OD2 2.78Å; R103-D131 PolarHBondContact NE-OD2 2.79Å; R103-D131 VanDerWaalsContact NH2-CG 3.26Å; R103-D131 IonicContact NH2-OD1 3.09Å; R103-D131 PolarHBondContact NH2-OD1 2.84Å; R103-D131 IonicContact NH2-OD2 3.54Å; R103-D131 PolarHBondContact NH2-OD2 2.8Å; R103-D131 VanDerWaalsContact NH2-OD2 3.13Å; Q127-D131 PolarHBondContact O-N 3.32Å; A128-D131 WeakPolarHBondContact O-CB 3.36Å; A128-D131 PolarHBondContact O-N 2.78Å; D131-A133 PolarHBondContact O-N 3.02Å; D131-Y134 PolarHBondContact O-N 3.35Å; D131-L135 VanDerWaalsContact O-CB 3.27Å; D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 PolarHBondContact O-N 3.43Å
132	Y	98.9	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-42.7	179.4	-65.7	-14.3	0	0	0	112.1	F68 C70 G71 A100 A128 L129 A130 L135 I136 L161 M165	F68-Y132 AromaticContact CE1-CD2 3.93Å; F68-Y132 HydrophobicContact CE1-CD2 3.93Å; F68-Y132 AromaticContact CE1-CG 3.84Å; F68-Y132 HydrophobicContact CE1-CG 3.84Å; F68-Y132 AromaticContact CZ-CD1 3.81Å; F68-Y132 HydrophobicContact CZ-CD1 3.81Å; F68-Y132 HydrophobicContact CZ-CD2 4.06Å; F68-Y132 AromaticContact CZ-CG 3.55Å; F68-Y132 HydrophobicContact CZ-CG 3.55Å; C70-Y132 HydrophobicContact CB-CD2 4.41Å; C70-Y132 HydrophobicContact CB-CE2 3.86Å; G71-Y132 PolarHBondContact N-OH 3.18Å; G71-Y132 PolarHBondContact O-OH 3.44Å; A100-Y132 HydrophobicContact CB-CD1 3.67Å; A100-Y132 HydrophobicContact CB-CE1 3.55Å; A128-Y132 VanDerWaalsContact O-CG 3.23Å; A128-Y132 PolarHBondContact O-N 3.08Å; L129-Y132 PolarHBondContact O-N 3.1Å; A130-Y132 VanDerWaalsContact C-N 3.3Å; A130-Y132 PolarHBondContact O-N 3.42Å; Y132-L135 PolarHBondContact O-N 3.46Å; Y132-I136 WeakPolarHBondContact O-CB 3.34Å; Y132-I136 WeakPolarHBondContact O-CD1 3.46Å; Y132-I136 WeakPolarHBondContact O-CG1 3.31Å; Y132-I136 PolarHBondContact O-N 3.24Å; Y132-L161 HydrophobicContact CE2-CB 4.42Å; Y132-L161 HydrophobicContact CE2-CD1 3.92Å; Y132-M165 HydrophobicContact CD2-CG 4.22Å; Y132-M165 HydrophobicContact CD2-SD 4.25Å
133	A	98.7	Very high	97.5	Very high	8 Å²	8	27.8 Å²	27.8	7%	0.066	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-48.1	175.6	0	0	0	0	0	111.9	L129 A130 D131 I136 E137 M165 Y169 I172	L129-A133 PolarHBondContact O-N 3.27Å; A130-A133 PolarHBondContact O-N 2.93Å; D131-A133 PolarHBondContact O-N 3.02Å; A133-I136 PolarHBondContact O-N 3.32Å; A133-E137 PolarHBondContact O-N 3.13Å; A133-M165 HydrophobicContact CB-CE 4.41Å; A133-Y169 HydrophobicContact CB-CD1 4.18Å; A133-Y169 HydrophobicContact CB-CD2 4.44Å; A133-Y169 HydrophobicContact CB-CE1 4.14Å; A133-Y169 HydrophobicContact CB-CE2 4.41Å; A133-Y169 HydrophobicContact CB-CG 4.33Å; A133-I172 HydrophobicContact CB-CD1 3.73Å
134	Y	98.1	Very high	97.3	Very high	125 Å²	125	34 Å²	34	49%	0.49	19%	0.186	S	C	.	.	H	α-helix	trans	-66.5	-40.7	178.4	-86.4	-84.7	0	0	0	112.8	H39 A130 D131 E137 G138	H39-Y134 AromaticContact CE1-CD2 3.43Å; H39-Y134 VanDerWaalsContact CE1-CD2 3.43Å; H39-Y134 WeakPolarHBondContact CE1-CD2 3.43Å; H39-Y134 AromaticContact CE1-CE2 3.83Å; H39-Y134 AromaticContact ND1-CD2 3.55Å; H39-Y134 AromaticContact ND1-CE2 3.45Å; H39-Y134 WeakPolarHBondContact ND1-CE2 3.5Å; A130-Y134 WeakPolarHBondContact O-CD2 3.48Å; A130-Y134 PolarHBondContact O-N 2.86Å; D131-Y134 PolarHBondContact O-N 3.35Å; Y134-E137 PolarHBondContact O-N 2.79Å; Y134-G138 PolarHBondContact O-N 2.95Å
135	L	98.7	Very high	97.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.9	-49.1	176.4	173.4	63.7	0	0	0	110.8	F33 Y53 F68 A100 D131 Y132 E137 G138 I139	F33-L135 HydrophobicContact CB-CD1 3.54Å; F33-L135 HydrophobicContact CD1-CB 4.38Å; F33-L135 HydrophobicContact CD1-CD1 4.13Å; F33-L135 HydrophobicContact CD2-CD1 3.95Å; F33-L135 HydrophobicContact CG-CD1 3.61Å; Y53-L135 HydrophobicContact CD1-CD1 3.78Å; Y53-L135 HydrophobicContact CE1-CD1 4.14Å; Y53-L135 HydrophobicContact CG-CD1 4.21Å; F68-L135 HydrophobicContact CE2-CD2 4.43Å; A100-L135 HydrophobicContact CB-CD2 3.47Å; A100-L135 VanDerWaalsContact CB-CD2 3.47Å; D131-L135 VanDerWaalsContact O-CB 3.27Å; D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 PolarHBondContact O-N 3.43Å; Y132-L135 PolarHBondContact O-N 3.46Å; L135-E137 VanDerWaalsContact C-N 3.34Å; L135-E137 PolarHBondContact O-N 3.31Å; L135-G138 PolarHBondContact O-N 2.72Å; L135-I139 HydrophobicContact CD1-CD1 4.2Å; L135-I139 HydrophobicContact CD1-CG1 3.79Å; L135-I139 HydrophobicContact CG-CG1 4.28Å; L135-I139 WeakPolarHBondContact O-CB 3.26Å; L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 2.8Å
136	I	98.7	Very high	96.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.6	-48.5	179.8	-73	162.8	0	0	0	110.8	F68 Y132 A133 I139 K140 V150 M165 I172 I173	F68-I136 HydrophobicContact CD1-CD1 3.85Å; F68-I136 HydrophobicContact CD2-CD1 4.06Å; F68-I136 HydrophobicContact CD2-CG1 3.87Å; F68-I136 HydrophobicContact CE1-CD1 3.92Å; F68-I136 HydrophobicContact CE2-CD1 4.11Å; F68-I136 HydrophobicContact CE2-CG1 3.88Å; F68-I136 HydrophobicContact CG-CD1 3.91Å; F68-I136 HydrophobicContact CG-CG1 4.2Å; F68-I136 HydrophobicContact CZ-CD1 4.06Å; F68-I136 HydrophobicContact CZ-CG1 4.26Å; Y132-I136 WeakPolarHBondContact O-CB 3.34Å; Y132-I136 WeakPolarHBondContact O-CD1 3.46Å; Y132-I136 WeakPolarHBondContact O-CG1 3.31Å; Y132-I136 PolarHBondContact O-N 3.24Å; A133-I136 PolarHBondContact O-N 3.32Å; I136-I139 PolarHBondContact O-N 3.47Å; I136-K140 HydrophobicContact CG2-CD 4.39Å; I136-K140 WeakPolarHBondContact O-CG 3.43Å; I136-K140 PolarHBondContact O-N 2.96Å; I136-V150 HydrophobicContact CD1-CG1 4.22Å; I136-V150 HydrophobicContact CG2-CG2 3.84Å; I136-M165 HydrophobicContact CD1-CE 4.14Å; I136-I172 HydrophobicContact CB-CG2 4.25Å; I136-I172 HydrophobicContact CD1-CG2 4.15Å; I136-I172 HydrophobicContact CG2-CG2 3.7Å; I136-I173 HydrophobicContact CD1-CD1 3.64Å
137	E	97.9	Very high	96.5	Very high	85 Å²	85	45.3 Å²	45.3	40%	0.397	23%	0.233	S	C	.	.	H	α-helix	trans	-66.9	-38.3	179.3	-69.5	-57.6	125.3	0	0	112.2	A133 Y134 L135 K140 S141 I172	A133-E137 PolarHBondContact O-N 3.13Å; Y134-E137 PolarHBondContact O-N 2.79Å; L135-E137 VanDerWaalsContact C-N 3.34Å; L135-E137 PolarHBondContact O-N 3.31Å; E137-K140 PolarHBondContact O-N 3.37Å; E137-K140 IonicContact OE1-NZ 3.18Å; E137-K140 PolarHBondContact OE1-NZ 3.28Å; E137-S141 PolarHBondContact O-N 3.28Å; E137-I172 HydrophobicContact CG-CD1 4.39Å
138	G	97.5	Very high	96.5	Very high	17 Å²	17	45 Å²	45	18%	0.175	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-48.8	172.5	0	0	0	0	0	112.4	Y134 L135 S141 T142	Y134-G138 PolarHBondContact O-N 2.95Å; L135-G138 PolarHBondContact O-N 2.72Å; G138-S141 WeakPolarHBondContact O-CB 3.34Å; G138-S141 PolarHBondContact O-N 2.94Å; G138-T142 PolarHBondContact O-N 3.25Å; G138-T142 PolarHBondContact O-OG1 3.1Å; G138-T142 VanDerWaalsContact O-OG1 3.11Å
139	I	96.3	Very high	96.5	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-40.8	177.8	-65.4	-59.5	0	0	0	111.3	Y53 F96 L98 L135 I136 S141 T142 F143 M145	Y53-I139 HydrophobicContact CD2-CD1 4.37Å; Y53-I139 HydrophobicContact CE1-CD1 4.13Å; Y53-I139 HydrophobicContact CE2-CD1 3.63Å; Y53-I139 VanDerWaalsContact CZ-CD1 3.47Å; Y53-I139 WeakPolarHBondContact OH-CD1 3.35Å; F96-I139 HydrophobicContact CE1-CG2 4.11Å; F96-I139 HydrophobicContact CZ-CG2 4.21Å; L98-I139 HydrophobicContact CD2-CB 4.34Å; L98-I139 HydrophobicContact CD2-CG1 4.1Å; L98-I139 HydrophobicContact CD2-CG2 4.23Å; L135-I139 HydrophobicContact CD1-CD1 4.2Å; L135-I139 HydrophobicContact CD1-CG1 3.79Å; L135-I139 HydrophobicContact CG-CG1 4.28Å; L135-I139 WeakPolarHBondContact O-CB 3.26Å; L135-I139 VanDerWaalsContact O-CG1 3.26Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 2.8Å; I136-I139 PolarHBondContact O-N 3.47Å; I139-S141 PolarHBondContact O-N 2.7Å; I139-T142 PolarHBondContact O-N 3.42Å; I139-F143 HydrophobicContact CD1-CE2 4.1Å; I139-F143 HydrophobicContact CG2-CD2 3.76Å; I139-F143 HydrophobicContact CG2-CE2 4.14Å; I139-F143 WeakPolarHBondContact O-CD2 3.48Å; I139-F143 PolarHBondContact O-N 2.83Å; I139-M145 HydrophobicContact CG2-CE 3.56Å
140	K	97.3	Very high	96.5	Very high	17 Å²	17	48.3 Å²	48.3	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-57.8	-39.8	174.1	-77.1	179.2	-174.7	166.9	0	112.2	I66 I136 E137 N144 M145 S148	I66-K140 HydrophobicContact CD1-CG 3.74Å; I136-K140 HydrophobicContact CG2-CD 4.39Å; I136-K140 WeakPolarHBondContact O-CG 3.43Å; I136-K140 PolarHBondContact O-N 2.96Å; E137-K140 PolarHBondContact O-N 3.37Å; E137-K140 IonicContact OE1-NZ 3.18Å; E137-K140 PolarHBondContact OE1-NZ 3.28Å; K140-N144 CarbonylContact O-C 3.52Å; K140-N144 WeakPolarHBondContact O-CA 3.34Å; K140-N144 PolarHBondContact O-N 3.49Å; K140-M145 HydrophobicContact CG-CB 4.4Å; K140-M145 PolarHBondContact O-N 3Å; K140-S148 WeakPolarHBondContact CE-O 3.34Å
141	S	95.4	Very high	96.5	Very high	91 Å²	91	48.2 Å²	48.2	64%	0.636	25%	0.248	S	C	*	.	H	α-helix	trans	-67	-52.6	175.3	-173.3	0	0	0	0	111.6	E137 G138 I139 F143 N144	E137-S141 PolarHBondContact O-N 3.28Å; G138-S141 WeakPolarHBondContact O-CB 3.34Å; G138-S141 PolarHBondContact O-N 2.94Å; I139-S141 PolarHBondContact O-N 2.7Å; S141-F143 VanDerWaalsContact C-N 3.32Å; S141-F143 PolarHBondContact O-N 3.44Å; S141-N144 PolarHBondContact O-N 2.92Å
142	T	94.1	Very high	96.5	Very high	106 Å²	106	48.2 Å²	48.2	65%	0.65	25%	0.248	S	C	*	.	H	α-helix	trans	-59.2	-39.1	-176.6	-60.3	0	0	0	0	113.2	G138 I139	G138-T142 PolarHBondContact O-N 3.25Å; G138-T142 PolarHBondContact O-OG1 3.1Å; G138-T142 VanDerWaalsContact O-OG1 3.11Å; I139-T142 PolarHBondContact O-N 3.42Å
143	F	92.7	Very high	96.5	Very high	60 Å²	60	48.2 Å²	48.2	26%	0.263	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	9.8	-176.8	-68.8	-94.3	0	0	0	113.4	Y55 F96 I139 S141 M145	Y55-F143 HydrophobicContact CD2-CZ 4.24Å; Y55-F143 AromaticContact CE2-CE1 3.93Å; Y55-F143 HydrophobicContact CE2-CE1 3.93Å; Y55-F143 AromaticContact CE2-CZ 3.7Å; Y55-F143 HydrophobicContact CE2-CZ 3.7Å; Y55-F143 AromaticContact CZ-CZ 3.93Å; F96-F143 AromaticContact CE2-CD1 3.98Å; F96-F143 HydrophobicContact CE2-CD1 3.98Å; F96-F143 HydrophobicContact CE2-CE1 4.04Å; F96-F143 HydrophobicContact CE2-CG 4.24Å; F96-F143 HydrophobicContact CE2-CZ 4.36Å; F96-F143 HydrophobicContact CZ-CD2 4.45Å; F96-F143 HydrophobicContact CZ-CE1 4.39Å; F96-F143 HydrophobicContact CZ-CE2 4.28Å; F96-F143 HydrophobicContact CZ-CZ 4.24Å; I139-F143 HydrophobicContact CD1-CE2 4.1Å; I139-F143 HydrophobicContact CG2-CD2 3.76Å; I139-F143 HydrophobicContact CG2-CE2 4.14Å; I139-F143 WeakPolarHBondContact O-CD2 3.48Å; I139-F143 PolarHBondContact O-N 2.83Å; S141-F143 VanDerWaalsContact C-N 3.32Å; S141-F143 PolarHBondContact O-N 3.44Å; F143-M145 VanDerWaalsContact C-N 3.25Å; F143-M145 HydrophobicContact CB-CE 3.82Å; F143-M145 HydrophobicContact CB-CG 3.71Å; F143-M145 HydrophobicContact CB-SD 4.04Å; F143-M145 HydrophobicContact CG-CE 4.34Å; F143-M145 WeakPolarHBondContact O-CG 3.29Å; F143-M145 PolarHBondContact O-N 3.49Å
144	N	93.6	Very high	96.5	Very high	134 Å²	134	47.9 Å²	47.9	72%	0.717	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	41.1	-177.2	-167.4	31.2	0	0	0	113.4	K140 S141	K140-N144 CarbonylContact O-C 3.52Å; K140-N144 WeakPolarHBondContact O-CA 3.34Å; K140-N144 PolarHBondContact O-N 3.49Å; S141-N144 PolarHBondContact O-N 2.92Å
145	M	94.9	Very high	96.5	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.222	C	C	.	.			trans	-100.8	32.2	-178.5	-58.4	-166.9	-63.4	0	0	111.9	F60 I66 F96 I139 K140 F143 R147 S148	F60-M145 HydrophobicContact CD1-SD 4.18Å; F60-M145 HydrophobicContact CD2-SD 4.22Å; F60-M145 HydrophobicContact CE1-CG 3.7Å; F60-M145 HydrophobicContact CE1-SD 3.7Å; F60-M145 HydrophobicContact CE2-CG 4.28Å; F60-M145 HydrophobicContact CE2-SD 3.73Å; F60-M145 HydrophobicContact CG-SD 4.42Å; F60-M145 HydrophobicContact CZ-CB 4.25Å; F60-M145 HydrophobicContact CZ-CG 3.47Å; F60-M145 VanDerWaalsContact CZ-CG 3.47Å; F60-M145 HydrophobicContact CZ-SD 3.46Å; F60-M145 WeakPolarHBondContact CZ-SD 3.46Å; I66-M145 HydrophobicContact CD1-CE 3.72Å; I66-M145 HydrophobicContact CG1-CE 4.05Å; I66-M145 HydrophobicContact CG1-SD 4.38Å; F96-M145 HydrophobicContact CB-CE 4.36Å; F96-M145 HydrophobicContact CB-SD 3.88Å; F96-M145 HydrophobicContact CD1-CE 3.99Å; F96-M145 HydrophobicContact CD2-CE 3.86Å; F96-M145 HydrophobicContact CD2-SD 3.65Å; F96-M145 HydrophobicContact CE1-CE 4.19Å; F96-M145 HydrophobicContact CE2-CE 4.06Å; F96-M145 HydrophobicContact CE2-SD 4.28Å; F96-M145 HydrophobicContact CG-CE 3.82Å; F96-M145 HydrophobicContact CG-SD 3.79Å; F96-M145 HydrophobicContact CZ-CE 4.21Å; I139-M145 HydrophobicContact CG2-CE 3.56Å; K140-M145 HydrophobicContact CG-CB 4.4Å; K140-M145 PolarHBondContact O-N 3Å; F143-M145 VanDerWaalsContact C-N 3.25Å; F143-M145 HydrophobicContact CB-CE 3.82Å; F143-M145 HydrophobicContact CB-CG 3.71Å; F143-M145 HydrophobicContact CB-SD 4.04Å; F143-M145 HydrophobicContact CG-CE 4.34Å; F143-M145 WeakPolarHBondContact O-CG 3.29Å; F143-M145 PolarHBondContact O-N 3.49Å; M145-R147 PolarHBondContact O-N 2.99Å; M145-R147 VanDerWaalsContact O-N 3.09Å; M145-S148 WeakPolarHBondContact CB-OG 3.25Å; M145-S148 VanDerWaalsContact O-CB 3.26Å; M145-S148 WeakPolarHBondContact O-CB 3.36Å; M145-S148 PolarHBondContact O-N 3.37Å; M145-S148 PolarHBondContact O-OG 2.82Å; M145-S148 VanDerWaalsContact O-OG 3.11Å
146	T	90.1	Very high	96.5	Very high	98 Å²	98	42.5 Å²	42.5	60%	0.601	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-23	-169.7	54.5	0	0	0	0	115
147	R	92.3	Very high	96.5	Very high	196 Å²	196	42.5 Å²	42.5	74%	0.74	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-2.2	176.4	-64.8	-174.6	178.3	-179	-0.7	114.2	M145 L149	M145-R147 PolarHBondContact O-N 2.99Å; M145-R147 VanDerWaalsContact O-N 3.09Å; R147-L149 PolarHBondContact O-N 2.87Å
148	S	97.2	Very high	96.5	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.028	21%	0.207	C	C	.	.			trans	-73.8	124.8	-174.2	-53.2	0	0	0	0	110.2	G64 K140 M145	G64-S148 WeakPolarHBondContact O-CB 3.44Å; G64-S148 PolarHBondContact O-OG 3.02Å; K140-S148 WeakPolarHBondContact CE-O 3.34Å; M145-S148 WeakPolarHBondContact CB-OG 3.25Å; M145-S148 VanDerWaalsContact O-CB 3.26Å; M145-S148 WeakPolarHBondContact O-CB 3.36Å; M145-S148 PolarHBondContact O-N 3.37Å; M145-S148 PolarHBondContact O-OG 2.82Å; M145-S148 VanDerWaalsContact O-OG 3.11Å
149	L	98	Very high	96.6	Very high	69 Å²	69	37.7 Å²	37.7	36%	0.361	20%	0.199	S	C	.	.			trans	-73	148.5	173.1	-60.9	178.7	0	0	0	109.6	P65 I66 R147 K174 L470	P65-L149 CarbonylContact C-O 3.59Å; P65-L149 WeakPolarHBondContact CA-O 3.31Å; I66-L149 PolarHBondContact N-O 2.64Å; R147-L149 PolarHBondContact O-N 2.87Å; L149-K174 HydrophobicContact CB-CB 4.18Å; L149-K174 HydrophobicContact CB-CG 4.36Å; L149-K174 HydrophobicContact CD1-CD 4.45Å; L149-K174 HydrophobicContact CD1-CG 4.24Å; L149-K174 HydrophobicContact CD2-CD 4.45Å; L149-L470 HydrophobicContact CB-CD2 3.6Å; L149-L470 HydrophobicContact CD1-CD2 3.81Å; L149-L470 HydrophobicContact CG-CD2 4.36Å
150	V	98.7	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.9	-176.2	-169.1	0	0	0	0	110.2	I66 F68 I136 I172 I173 K174	I66-V150 HydrophobicContact CB-CG1 4.23Å; I66-V150 HydrophobicContact CB-CG2 4.19Å; I66-V150 HydrophobicContact CD1-CG2 4.21Å; I66-V150 HydrophobicContact CG2-CG1 4.33Å; I66-V150 WeakPolarHBondContact O-CA 3.4Å; F68-V150 HydrophobicContact CB-CG1 3.66Å; F68-V150 HydrophobicContact CG-CG1 4.47Å; I136-V150 HydrophobicContact CD1-CG1 4.22Å; I136-V150 HydrophobicContact CG2-CG2 3.84Å; V150-I172 WeakPolarHBondContact CB-O 3.44Å; V150-I172 WeakPolarHBondContact CG2-O 3.27Å; V150-I173 HydrophobicContact CB-CD1 4.18Å; V150-I173 HydrophobicContact CG1-CD1 3.8Å; V150-K174 WeakPolarHBondContact O-CA 3.41Å; V150-K174 WeakPolarHBondContact O-CB 3.44Å; V150-K174 PolarHBondContact O-N 2.93Å
151	V	98.9	Very high	96.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.3	170.5	-176.5	0	0	0	0	107.6	I66 F67 F68 F153 G175 I466 W469 L470	I66-V151 PolarHBondContact O-N 2.73Å; F67-V151 HydrophobicContact CD1-CB 4.14Å; F67-V151 HydrophobicContact CD1-CG2 4.5Å; F67-V151 HydrophobicContact CE1-CB 4.37Å; F67-V151 HydrophobicContact CE1-CG2 4.34Å; F68-V151 PolarHBondContact N-O 3.22Å; V151-F153 HydrophobicContact CB-CE2 3.78Å; V151-F153 HydrophobicContact CB-CZ 4.26Å; V151-F153 HydrophobicContact CG1-CD2 4.26Å; V151-F153 HydrophobicContact CG1-CE1 4.48Å; V151-F153 HydrophobicContact CG1-CE2 3.56Å; V151-F153 HydrophobicContact CG1-CZ 3.68Å; V151-F153 WeakPolarHBondContact O-CD2 3.43Å; V151-F153 WeakPolarHBondContact O-CE2 3.48Å; V151-G175 CarbonylContact C-O 3.42Å; V151-G175 WeakPolarHBondContact CA-O 3.49Å; V151-I466 HydrophobicContact CG1-CG1 4.42Å; V151-I466 HydrophobicContact CG1-CG2 4.34Å; V151-I466 HydrophobicContact CG2-CG2 4.18Å; V151-W469 HydrophobicContact CG1-CE3 4.47Å; V151-W469 HydrophobicContact CG1-CZ3 4.27Å; V151-L470 HydrophobicContact CG2-CD1 4.09Å; V151-L470 HydrophobicContact CG2-CD2 4.02Å; V151-L470 HydrophobicContact CG2-CG 4.26Å
152	A	98.9	Very high	96.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.5	177	0	0	0	0	0	110.5	F68 A162 I173 G175 A176 L177	F68-A152 HydrophobicContact CD1-CB 4.48Å; F68-A152 CarbonylContact O-C 3.08Å; F68-A152 VanDerWaalsContact O-CA 3.26Å; F68-A152 WeakPolarHBondContact O-CA 3.22Å; A152-A162 HydrophobicContact CB-CB 4.01Å; A152-I173 HydrophobicContact CB-CD1 4.43Å; A152-I173 HydrophobicContact CB-CG2 3.8Å; A152-G175 PolarHBondContact N-O 3.32Å; A152-A176 HydrophobicContact CB-CB 4.12Å; A152-A176 CarbonylContact O-C 3.43Å; A152-A176 WeakPolarHBondContact O-CA 3.06Å; A152-L177 PolarHBondContact O-N 3.04Å
153	F	98.9	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.6	176.7	-64.3	-97.6	0	0	0	108.6	F67 F68 Y69 C70 I86 V151 L177 L444 I466	F67-F153 HydrophobicContact CB-CD2 4.26Å; F67-F153 HydrophobicContact CB-CE2 3.73Å; F67-F153 AromaticContact CD1-CE2 3.71Å; F67-F153 HydrophobicContact CD1-CE2 3.71Å; F67-F153 HydrophobicContact CD1-CZ 4.11Å; F67-F153 HydrophobicContact CD2-CE2 4.32Å; F67-F153 HydrophobicContact CD2-CZ 4.4Å; F67-F153 HydrophobicContact CE1-CE2 4.35Å; F67-F153 HydrophobicContact CE1-CZ 4.33Å; F67-F153 AromaticContact CG-CE2 3.67Å; F67-F153 HydrophobicContact CG-CE2 3.67Å; F67-F153 HydrophobicContact CG-CZ 4.13Å; F68-F153 PolarHBondContact O-N 2.82Å; Y69-F153 CarbonylContact C-O 3.51Å; Y69-F153 WeakPolarHBondContact CA-O 3.46Å; Y69-F153 HydrophobicContact CD2-CB 4.09Å; C70-F153 PolarHBondContact N-O 2.9Å; I86-F153 HydrophobicContact CD1-CB 3.64Å; I86-F153 HydrophobicContact CD1-CD1 4.26Å; I86-F153 HydrophobicContact CD1-CD2 4.02Å; I86-F153 HydrophobicContact CD1-CG 3.73Å; I86-F153 HydrophobicContact CG1-CB 4.37Å; I86-F153 HydrophobicContact CG1-CD1 4.07Å; I86-F153 HydrophobicContact CG1-CD2 4.31Å; I86-F153 HydrophobicContact CG1-CE1 4.44Å; I86-F153 HydrophobicContact CG1-CG 4.01Å; V151-F153 HydrophobicContact CB-CE2 3.78Å; V151-F153 HydrophobicContact CB-CZ 4.26Å; V151-F153 HydrophobicContact CG1-CD2 4.26Å; V151-F153 HydrophobicContact CG1-CE1 4.48Å; V151-F153 HydrophobicContact CG1-CE2 3.56Å; V151-F153 HydrophobicContact CG1-CZ 3.68Å; V151-F153 WeakPolarHBondContact O-CD2 3.43Å; V151-F153 WeakPolarHBondContact O-CE2 3.48Å; F153-L177 WeakPolarHBondContact CA-O 3.48Å; F153-L177 HydrophobicContact CD1-CB 3.87Å; F153-L177 HydrophobicContact CD1-CD2 3.96Å; F153-L177 HydrophobicContact CD1-CG 4.4Å; F153-L177 HydrophobicContact CE1-CB 4.2Å; F153-L177 HydrophobicContact CE1-CD2 4.11Å; F153-L444 HydrophobicContact CD1-CD2 4.39Å; F153-I466 HydrophobicContact CE1-CD1 3.8Å; F153-I466 HydrophobicContact CZ-CD1 3.95Å
154	G	98.7	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	151.6	170	0	0	0	0	0	111.6	G159 L177 S179 L444	G154-G159 WeakPolarHBondContact O-CA 3.28Å; G154-L177 PolarHBondContact N-O 2.86Å; G154-L177 VanDerWaalsContact N-O 3.12Å; G154-S179 PolarHBondContact O-N 3.42Å; G154-L444 VanDerWaalsContact C-CD1 3.43Å; G154-L444 WeakPolarHBondContact O-CD1 3.44Å
155	G	98.3	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	148.7	173.6	0	0	0	0	0	110.3	N72 Y157 G158 G159 S179	N72-G155 VanDerWaalsContact CG-O 3.29Å; N72-G155 PolarHBondContact ND2-O 3.12Å; N72-G155 PolarHBondContact OD1-O 3.23Å; G155-Y157 PolarHBondContact O-N 3.03Å; G155-G158 PolarHBondContact O-N 3.45Å; G155-G159 PolarHBondContact O-N 2.77Å; G155-S179 CarbonylContact C-O 3.59Å; G155-S179 WeakPolarHBondContact CA-O 3.39Å
156	S	97.8	Very high	97.8	Very high	12 Å²	12	19.1 Å²	19.1	8%	0.084	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-130.2	176	-158.8	0	0	0	0	112.2	G158 G159 M160 S179 S180 H440	S156-G158 VanDerWaalsContact C-N 3.33Å; S156-G158 PolarHBondContact O-N 3.39Å; S156-G159 WeakPolarHBondContact O-CA 3.36Å; S156-G159 PolarHBondContact O-N 3.3Å; S156-M160 PolarHBondContact O-N 2.55Å; S156-S179 PolarHBondContact N-O 2.88Å; S156-S180 VanDerWaalsContact CA-O 3.31Å; S156-S180 WeakPolarHBondContact CA-O 3.26Å; S156-H440 WeakPolarHBondContact CB-NE2 3.32Å; S156-H440 PolarHBondContact OG-CE1 3.12Å; S156-H440 PolarHBondContact OG-NE2 3.11Å
157	Y	98.3	Very high	98.2	Very high	1 Å²	1	15.6 Å²	15.6	0%	0.004	7%	0.071	C	C	.	.	H	α-helix	trans	-53.4	-43.8	171.1	173.8	-123.3	0	0	0	113.2	E73 H102 I125 G155 G159 M160 L161 W343 Q346 M351	E73-Y157 HydrophobicContact CB-CD1 4.34Å; E73-Y157 WeakPolarHBondContact OE2-CB 3.26Å; H102-Y157 AromaticContact CD2-CE1 3.68Å; H102-Y157 AromaticContact NE2-CE1 3.62Å; H102-Y157 AromaticContact NE2-CZ 3.59Å; H102-Y157 PolarHBondContact NE2-OH 2.83Å; I125-Y157 HydrophobicContact CD1-CE2 4.05Å; I125-Y157 HydrophobicContact CG1-CE2 3.77Å; I125-Y157 WeakPolarHBondContact CG1-OH 3.48Å; G155-Y157 PolarHBondContact O-N 3.03Å; Y157-G159 PolarHBondContact O-N 3.25Å; Y157-M160 HydrophobicContact CD2-CE 4.27Å; Y157-M160 HydrophobicContact CD2-SD 4.15Å; Y157-M160 WeakPolarHBondContact O-CA 3.46Å; Y157-M160 VanDerWaalsContact O-CB 3.25Å; Y157-M160 WeakPolarHBondContact O-CB 3.19Å; Y157-M160 PolarHBondContact O-N 3.45Å; Y157-L161 HydrophobicContact CD1-CD1 4.24Å; Y157-L161 HydrophobicContact CD2-CG 4.49Å; Y157-L161 HydrophobicContact CE1-CD1 3.71Å; Y157-L161 HydrophobicContact CE1-CG 4.29Å; Y157-L161 HydrophobicContact CE2-CD1 4.37Å; Y157-L161 HydrophobicContact CE2-CD2 3.96Å; Y157-L161 HydrophobicContact CE2-CG 4.07Å; Y157-L161 WeakPolarHBondContact O-CG 3.21Å; Y157-L161 PolarHBondContact O-N 3.15Å; Y157-W343 HydrophobicContact CD1-CZ3 4.21Å; Y157-W343 HydrophobicContact CD2-CZ3 4.3Å; Y157-W343 HydrophobicContact CG-CH2 4.49Å; Y157-W343 AromaticContact CG-CZ3 3.91Å; Y157-W343 HydrophobicContact CG-CZ3 3.91Å; Y157-Q346 PolarHBondContact OH-NE2 3.43Å; Y157-M351 HydrophobicContact CD2-CE 3.47Å; Y157-M351 VanDerWaalsContact CD2-CE 3.47Å; Y157-M351 HydrophobicContact CE2-CE 3.27Å; Y157-M351 HydrophobicContact CG-CE 4.3Å
158	G	98.5	Very high	98.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.1	-24.9	175.2	0	0	0	0	0	112.9	N72 G155 S156 L161 A162	N72-G158 WeakPolarHBondContact OD1-CA 3.46Å; N72-G158 PolarHBondContact OD1-N 3.06Å; N72-G158 VanDerWaalsContact OD1-N 3.15Å; G155-G158 PolarHBondContact O-N 3.45Å; S156-G158 VanDerWaalsContact C-N 3.33Å; S156-G158 PolarHBondContact O-N 3.39Å; G158-L161 PolarHBondContact O-N 3.17Å; G158-A162 WeakPolarHBondContact O-CB 3.45Å; G158-A162 PolarHBondContact O-N 2.85Å
159	G	98.8	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.5	-41	169.2	0	0	0	0	0	111.8	G154 G155 S156 Y157 L161 A162 A163 A178	G154-G159 WeakPolarHBondContact O-CA 3.28Å; G155-G159 PolarHBondContact O-N 2.77Å; S156-G159 WeakPolarHBondContact O-CA 3.36Å; S156-G159 PolarHBondContact O-N 3.3Å; Y157-G159 PolarHBondContact O-N 3.25Å; G159-L161 VanDerWaalsContact C-N 3.34Å; G159-A162 PolarHBondContact O-N 3.43Å; G159-A163 PolarHBondContact O-N 3.35Å; G159-A178 WeakPolarHBondContact O-CB 3.49Å
160	M	98.6	Very high	98.5	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-59.5	-47.4	170.2	-56.7	163.4	48.2	0	0	110.3	S156 Y157 A162 A163 Y164 A181 P182 V183 V186	S156-M160 PolarHBondContact O-N 2.55Å; Y157-M160 HydrophobicContact CD2-CE 4.27Å; Y157-M160 HydrophobicContact CD2-SD 4.15Å; Y157-M160 WeakPolarHBondContact O-CA 3.46Å; Y157-M160 VanDerWaalsContact O-CB 3.25Å; Y157-M160 WeakPolarHBondContact O-CB 3.19Å; Y157-M160 PolarHBondContact O-N 3.45Å; M160-A162 VanDerWaalsContact C-N 3.33Å; M160-A162 PolarHBondContact O-N 3Å; M160-A163 PolarHBondContact O-N 2.83Å; M160-Y164 HydrophobicContact CB-CD2 4.37Å; M160-Y164 HydrophobicContact CB-CE2 3.79Å; M160-Y164 HydrophobicContact CE-CE2 4.03Å; M160-Y164 WeakPolarHBondContact CE-OH 3.16Å; M160-Y164 WeakPolarHBondContact O-CB 3.28Å; M160-Y164 WeakPolarHBondContact O-CD1 3.18Å; M160-Y164 VanDerWaalsContact O-CD2 3.26Å; M160-Y164 WeakPolarHBondContact O-CD2 3.21Å; M160-Y164 PolarHBondContact O-N 2.99Å; M160-A181 HydrophobicContact CG-CB 4.18Å; M160-P182 HydrophobicContact SD-CG 4.01Å; M160-V183 HydrophobicContact CB-CG1 4.08Å; M160-V183 HydrophobicContact CG-CG1 3.79Å; M160-V186 HydrophobicContact CE-CB 3.81Å; M160-V186 HydrophobicContact CE-CG1 3.63Å; M160-V186 HydrophobicContact CE-CG2 4.19Å; M160-V186 HydrophobicContact SD-CB 4.28Å; M160-V186 HydrophobicContact SD-CG1 4.48Å; M160-V186 HydrophobicContact SD-CG2 4.02Å
161	L	98.9	Very high	98.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.9	-40.8	177.3	-62.4	178.4	0	0	0	112.2	C70 I125 L129 Y132 Y157 G158 G159 Y164 M165	C70-L161 HydrophobicContact CB-CB 3.84Å; I125-L161 HydrophobicContact CG1-CD2 4.26Å; I125-L161 HydrophobicContact CG2-CD2 3.97Å; L129-L161 HydrophobicContact CD2-CB 4.27Å; L129-L161 HydrophobicContact CD2-CD2 3.92Å; L129-L161 HydrophobicContact CG-CD2 4.42Å; Y132-L161 HydrophobicContact CE2-CB 4.42Å; Y132-L161 HydrophobicContact CE2-CD1 3.92Å; Y157-L161 HydrophobicContact CD1-CD1 4.24Å; Y157-L161 HydrophobicContact CD2-CG 4.49Å; Y157-L161 HydrophobicContact CE1-CD1 3.71Å; Y157-L161 HydrophobicContact CE1-CG 4.29Å; Y157-L161 HydrophobicContact CE2-CD1 4.37Å; Y157-L161 HydrophobicContact CE2-CD2 3.96Å; Y157-L161 HydrophobicContact CE2-CG 4.07Å; Y157-L161 WeakPolarHBondContact O-CG 3.21Å; Y157-L161 PolarHBondContact O-N 3.15Å; G158-L161 PolarHBondContact O-N 3.17Å; G159-L161 VanDerWaalsContact C-N 3.34Å; L161-Y164 HydrophobicContact CD2-CD2 4.5Å; L161-Y164 PolarHBondContact O-N 3.49Å; L161-M165 WeakPolarHBondContact O-CB 3.47Å; L161-M165 WeakPolarHBondContact O-CG 3.14Å; L161-M165 PolarHBondContact O-N 2.98Å
162	A	98.9	Very high	98.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.7	-44.2	176.8	0	0	0	0	0	111.8	A152 G158 G159 M160 M165 R166 A176	A152-A162 HydrophobicContact CB-CB 4.01Å; G158-A162 WeakPolarHBondContact O-CB 3.45Å; G158-A162 PolarHBondContact O-N 2.85Å; G159-A162 PolarHBondContact O-N 3.43Å; M160-A162 VanDerWaalsContact C-N 3.33Å; M160-A162 PolarHBondContact O-N 3Å; A162-M165 PolarHBondContact O-N 3.01Å; A162-R166 PolarHBondContact O-N 3.5Å; A162-R166 VanDerWaalsContact O-N 3.1Å; A162-A176 HydrophobicContact CB-CB 4.31Å; A162-A176 VanDerWaalsContact O-CB 3.29Å; A162-A176 WeakPolarHBondContact O-CB 3.48Å
163	A	98.7	Very high	98.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-46.3	174.8	0	0	0	0	0	111.6	G159 M160 M165 R166 A167 A178 W401 I407 F409	G159-A163 PolarHBondContact O-N 3.35Å; M160-A163 PolarHBondContact O-N 2.83Å; A163-M165 PolarHBondContact O-N 3.33Å; A163-R166 PolarHBondContact O-N 3.32Å; A163-A167 WeakPolarHBondContact O-CB 3.37Å; A163-A167 PolarHBondContact O-N 3.15Å; A163-A178 HydrophobicContact CB-CB 3.97Å; A163-W401 HydrophobicContact CB-CH2 3.94Å; A163-W401 HydrophobicContact CB-CZ3 3.88Å; A163-I407 HydrophobicContact CB-CG2 4.43Å; A163-F409 HydrophobicContact CB-CE1 3.82Å; A163-F409 HydrophobicContact CB-CZ 3.89Å
164	Y	98.6	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64	-39.8	177.8	-59.1	-24.3	0	0	0	112.2	I125 M160 L161 R166 A167 K168 V183 Y396 W401	I125-Y164 HydrophobicContact CD1-CE2 4.48Å; I125-Y164 HydrophobicContact CG2-CD2 3.87Å; I125-Y164 HydrophobicContact CG2-CE2 4.23Å; M160-Y164 HydrophobicContact CB-CD2 4.37Å; M160-Y164 HydrophobicContact CB-CE2 3.79Å; M160-Y164 HydrophobicContact CE-CE2 4.03Å; M160-Y164 WeakPolarHBondContact CE-OH 3.16Å; M160-Y164 WeakPolarHBondContact O-CB 3.28Å; M160-Y164 WeakPolarHBondContact O-CD1 3.18Å; M160-Y164 VanDerWaalsContact O-CD2 3.26Å; M160-Y164 WeakPolarHBondContact O-CD2 3.21Å; M160-Y164 PolarHBondContact O-N 2.99Å; L161-Y164 HydrophobicContact CD2-CD2 4.5Å; L161-Y164 PolarHBondContact O-N 3.49Å; Y164-R166 VanDerWaalsContact C-N 3.33Å; Y164-R166 PolarHBondContact O-N 3.16Å; Y164-A167 PolarHBondContact O-N 3.32Å; Y164-K168 WeakPolarHBondContact O-CB 3.48Å; Y164-K168 PolarHBondContact O-N 3.19Å; Y164-V183 HydrophobicContact CE1-CG1 4.16Å; Y164-Y396 AromaticContact CD1-CD1 3.34Å; Y164-Y396 HydrophobicContact CD1-CD1 3.34Å; Y164-Y396 HydrophobicContact CD1-CD2 4.09Å; Y164-Y396 AromaticContact CD1-CE1 3.88Å; Y164-Y396 HydrophobicContact CD1-CE1 3.88Å; Y164-Y396 AromaticContact CD1-CG 3.48Å; Y164-Y396 HydrophobicContact CD1-CG 3.48Å; Y164-Y396 VanDerWaalsContact CD1-CG 3.48Å; Y164-Y396 HydrophobicContact CD2-CD2 4.31Å; Y164-Y396 HydrophobicContact CD2-CE2 4.29Å; Y164-Y396 HydrophobicContact CD2-CG 4.49Å; Y164-Y396 AromaticContact CE1-CD1 3.85Å; Y164-Y396 HydrophobicContact CE1-CD1 3.85Å; Y164-Y396 HydrophobicContact CE1-CD2 4Å; Y164-Y396 AromaticContact CE1-CG 3.47Å; Y164-Y396 HydrophobicContact CE1-CG 3.47Å; Y164-Y396 VanDerWaalsContact CE1-CG 3.47Å; Y164-Y396 HydrophobicContact CE2-CD2 4.18Å; Y164-Y396 HydrophobicContact CE2-CG 4.46Å; Y164-Y396 AromaticContact CG-CD1 3.82Å; Y164-Y396 HydrophobicContact CG-CD1 3.82Å; Y164-Y396 HydrophobicContact CG-CD2 4.27Å; Y164-Y396 AromaticContact CG-CE1 3.86Å; Y164-Y396 HydrophobicContact CG-CE1 3.86Å; Y164-Y396 HydrophobicContact CG-CE2 4.32Å; Y164-Y396 HydrophobicContact CG-CG 4.05Å; Y164-Y396 AromaticContact CZ-CG 3.98Å; Y164-W401 AromaticContact CD1-CH2 3.59Å; Y164-W401 HydrophobicContact CD1-CH2 3.59Å; Y164-W401 HydrophobicContact CD1-CZ2 4.38Å; Y164-W401 HydrophobicContact CD1-CZ3 4.48Å; Y164-W401 AromaticContact CE1-CH2 3.52Å; Y164-W401 HydrophobicContact CE1-CH2 3.52Å; Y164-W401 AromaticContact CE1-CZ2 3.87Å; Y164-W401 HydrophobicContact CE1-CZ2 3.87Å
165	M	98.7	Very high	98.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58	-45.2	174.4	-83.8	-56.2	-71.1	0	0	111	L129 Y132 A133 I136 L161 A162 A163 Y169 I173	L129-M165 HydrophobicContact CB-SD 3.9Å; L129-M165 HydrophobicContact CD2-CB 4.44Å; L129-M165 HydrophobicContact CD2-CG 3.55Å; L129-M165 HydrophobicContact CD2-SD 3.64Å; L129-M165 HydrophobicContact CG-SD 4.38Å; L129-M165 VanDerWaalsContact O-SD 3.34Å; Y132-M165 HydrophobicContact CD2-CG 4.22Å; Y132-M165 HydrophobicContact CD2-SD 4.25Å; A133-M165 HydrophobicContact CB-CE 4.41Å; I136-M165 HydrophobicContact CD1-CE 4.14Å; L161-M165 WeakPolarHBondContact O-CB 3.47Å; L161-M165 WeakPolarHBondContact O-CG 3.14Å; L161-M165 PolarHBondContact O-N 2.98Å; A162-M165 PolarHBondContact O-N 3.01Å; A163-M165 PolarHBondContact O-N 3.33Å; M165-Y169 HydrophobicContact CE-CD2 4.19Å; M165-Y169 CarbonylContact O-C 3.45Å; M165-Y169 WeakPolarHBondContact O-CA 3.27Å; M165-Y169 WeakPolarHBondContact O-CB 3.34Å; M165-Y169 PolarHBondContact O-N 3.01Å; M165-Y169 HydrophobicContact SD-CD2 3.89Å; M165-Y169 HydrophobicContact SD-CE2 4.27Å; M165-I173 HydrophobicContact CB-CG1 4.09Å; M165-I173 HydrophobicContact CE-CD1 3.95Å; M165-I173 HydrophobicContact CE-CG1 3.95Å
166	R	98.6	Very high	98.3	Very high	21 Å²	21	22.5 Å²	22.5	8%	0.079	11%	0.112	C	C	.	.	H	α-helix	trans	-67.5	-42	176.1	176.6	56	-169.1	151.4	7.9	112.6	A162 A163 Y164 P170 I173 A176 S405 I407	A162-R166 PolarHBondContact O-N 3.5Å; A162-R166 VanDerWaalsContact O-N 3.1Å; A163-R166 PolarHBondContact O-N 3.32Å; Y164-R166 VanDerWaalsContact C-N 3.33Å; Y164-R166 PolarHBondContact O-N 3.16Å; R166-P170 VanDerWaalsContact NH1-CB 3.29Å; R166-P170 PolarHBondContact NH1-O 3.02Å; R166-I173 HydrophobicContact CB-CG2 3.93Å; R166-I173 WeakPolarHBondContact CD-O 3.43Å; R166-I173 PolarHBondContact NH1-O 3.28Å; R166-A176 HydrophobicContact CB-CB 3.76Å; R166-A176 HydrophobicContact CG-CB 4.44Å; R166-S405 WeakPolarHBondContact CG-O 3.49Å; R166-S405 PolarHBondContact NE-O 3.49Å; R166-S405 PolarHBondContact NH2-OG 3.38Å; R166-I407 HydrophobicContact CB-CD1 4.2Å; R166-I407 HydrophobicContact CB-CG1 4.03Å; R166-I407 HydrophobicContact CG-CD1 3.99Å; R166-I407 HydrophobicContact CG-CG1 3.58Å
167	A	97.8	Very high	98.4	Very high	24 Å²	24	22 Å²	22	20%	0.198	11%	0.108	C	C	.	.	H	α-helix	trans	-66.9	-43.3	-179.7	0	0	0	0	0	112.4	A163 Y164 I400 W401	A163-A167 WeakPolarHBondContact O-CB 3.37Å; A163-A167 PolarHBondContact O-N 3.15Å; Y164-A167 PolarHBondContact O-N 3.32Å; A167-I400 HydrophobicContact CB-CD1 3.84Å; A167-I400 HydrophobicContact CB-CG1 4.28Å; A167-W401 HydrophobicContact CB-CZ3 4.42Å
168	K	97.2	Very high	98.4	Very high	72 Å²	72	21.9 Å²	21.9	31%	0.313	11%	0.108	S	C	.	.	H	α-helix	trans	-87	-35.5	-173.9	-168.4	172.1	-174.4	179.4	0	113.5	D126 L129 Y164 P170	D126-K168 IonicContact OD1-NZ 3.59Å; D126-K168 PolarHBondContact OD1-NZ 3.19Å; L129-K168 HydrophobicContact CD1-CD 4.21Å; Y164-K168 WeakPolarHBondContact O-CB 3.48Å; Y164-K168 PolarHBondContact O-N 3.19Å; K168-P170 VanDerWaalsContact O-CD 3.28Å; K168-P170 WeakPolarHBondContact O-CD 3.43Å
169	Y	98.1	Very high	98.4	Very high	36 Å²	36	21.9 Å²	21.9	14%	0.141	11%	0.108	C	C	.	.			trans	-120.2	57.4	-178.5	-56.6	-80.6	0	0	0	112.5	L129 A133 M165 H171 I172 I173	L129-Y169 HydrophobicContact CB-CE2 4.01Å; A133-Y169 HydrophobicContact CB-CD1 4.18Å; A133-Y169 HydrophobicContact CB-CD2 4.44Å; A133-Y169 HydrophobicContact CB-CE1 4.14Å; A133-Y169 HydrophobicContact CB-CE2 4.41Å; A133-Y169 HydrophobicContact CB-CG 4.33Å; M165-Y169 HydrophobicContact CE-CD2 4.19Å; M165-Y169 CarbonylContact O-C 3.45Å; M165-Y169 WeakPolarHBondContact O-CA 3.27Å; M165-Y169 WeakPolarHBondContact O-CB 3.34Å; M165-Y169 PolarHBondContact O-N 3.01Å; M165-Y169 HydrophobicContact SD-CD2 3.89Å; M165-Y169 HydrophobicContact SD-CE2 4.27Å; Y169-H171 AromaticContact CD1-CE1 3.98Å; Y169-H171 PolarHBondContact O-N 3.08Å; Y169-I172 HydrophobicContact CD1-CD1 4.2Å; Y169-I172 HydrophobicContact CG-CD1 4.47Å; Y169-I172 PolarHBondContact O-N 3.03Å; Y169-I173 PolarHBondContact O-N 2.96Å
170	P	97.6	Very high	98.4	Very high	68 Å²	68	22 Å²	22	44%	0.442	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.9	-175.3	28.7	-37	0	0	0	114.3	R166 K168	R166-P170 VanDerWaalsContact NH1-CB 3.29Å; R166-P170 PolarHBondContact NH1-O 3.02Å; K168-P170 VanDerWaalsContact O-CD 3.28Å; K168-P170 WeakPolarHBondContact O-CD 3.43Å
171	H	97.1	Very high	98.4	Very high	152 Å²	152	21.9 Å²	21.9	70%	0.704	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-18.5	174.1	61.9	-77	0	0	0	112.9	Y169	Y169-H171 AromaticContact CD1-CE1 3.98Å; Y169-H171 PolarHBondContact O-N 3.08Å
172	I	98.2	Very high	98.3	Very high	16 Å²	16	22.1 Å²	22.1	8%	0.082	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-46.9	176.6	-60.7	178.5	0	0	0	109.9	A133 I136 E137 V150 Y169	A133-I172 HydrophobicContact CB-CD1 3.73Å; I136-I172 HydrophobicContact CB-CG2 4.25Å; I136-I172 HydrophobicContact CD1-CG2 4.15Å; I136-I172 HydrophobicContact CG2-CG2 3.7Å; E137-I172 HydrophobicContact CG-CD1 4.39Å; V150-I172 WeakPolarHBondContact CB-O 3.44Å; V150-I172 WeakPolarHBondContact CG2-O 3.27Å; Y169-I172 HydrophobicContact CD1-CD1 4.2Å; Y169-I172 HydrophobicContact CG-CD1 4.47Å; Y169-I172 PolarHBondContact O-N 3.03Å
173	I	98.6	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114	-174.1	-55.2	-62	0	0	0	109.1	I136 V150 A152 M165 R166 Y169 G175	I136-I173 HydrophobicContact CD1-CD1 3.64Å; V150-I173 HydrophobicContact CB-CD1 4.18Å; V150-I173 HydrophobicContact CG1-CD1 3.8Å; A152-I173 HydrophobicContact CB-CD1 4.43Å; A152-I173 HydrophobicContact CB-CG2 3.8Å; M165-I173 HydrophobicContact CB-CG1 4.09Å; M165-I173 HydrophobicContact CE-CD1 3.95Å; M165-I173 HydrophobicContact CE-CG1 3.95Å; R166-I173 HydrophobicContact CB-CG2 3.93Å; R166-I173 WeakPolarHBondContact CD-O 3.43Å; R166-I173 PolarHBondContact NH1-O 3.28Å; Y169-I173 PolarHBondContact O-N 2.96Å; I173-G175 VanDerWaalsContact CG2-O 3.24Å; I173-G175 WeakPolarHBondContact CG2-O 3.41Å
174	K	98.4	Very high	98.2	Very high	70 Å²	70	26.2 Å²	26.2	30%	0.304	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-33	-178.5	-178.3	62.6	173.7	-173.3	0	112.9	L149 V150 N406 W469 L470	L149-K174 HydrophobicContact CB-CB 4.18Å; L149-K174 HydrophobicContact CB-CG 4.36Å; L149-K174 HydrophobicContact CD1-CD 4.45Å; L149-K174 HydrophobicContact CD1-CG 4.24Å; L149-K174 HydrophobicContact CD2-CD 4.45Å; V150-K174 WeakPolarHBondContact O-CA 3.41Å; V150-K174 WeakPolarHBondContact O-CB 3.44Å; V150-K174 PolarHBondContact O-N 2.93Å; K174-N406 WeakPolarHBondContact O-CB 3.47Å; K174-N406 PolarHBondContact O-ND2 2.77Å; K174-W469 WeakPolarHBondContact CE-O 3.31Å; K174-W469 HydrophobicContact CG-CB 4.46Å; K174-L470 HydrophobicContact CG-CD2 4.48Å
175	G	98.7	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	168.3	175	0	0	0	0	0	112	V151 A152 I173 N406	V151-G175 CarbonylContact C-O 3.42Å; V151-G175 WeakPolarHBondContact CA-O 3.49Å; A152-G175 PolarHBondContact N-O 3.32Å; I173-G175 VanDerWaalsContact CG2-O 3.24Å; I173-G175 WeakPolarHBondContact CG2-O 3.41Å; G175-N406 CarbonylContact C-O 3.47Å; G175-N406 WeakPolarHBondContact CA-O 3.42Å
176	A	98.9	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.4	-179.8	0	0	0	0	0	113	A152 A162 R166 N406 I407 I408 W469	A152-A176 HydrophobicContact CB-CB 4.12Å; A152-A176 CarbonylContact O-C 3.43Å; A152-A176 WeakPolarHBondContact O-CA 3.06Å; A162-A176 HydrophobicContact CB-CB 4.31Å; A162-A176 VanDerWaalsContact O-CB 3.29Å; A162-A176 WeakPolarHBondContact O-CB 3.48Å; R166-A176 HydrophobicContact CB-CB 3.76Å; R166-A176 HydrophobicContact CG-CB 4.44Å; A176-N406 PolarHBondContact N-O 2.99Å; A176-I407 HydrophobicContact CB-CG1 4.47Å; A176-I407 CarbonylContact O-C 3.32Å; A176-I407 WeakPolarHBondContact O-CA 3.47Å; A176-I408 PolarHBondContact O-N 2.74Å; A176-W469 WeakPolarHBondContact O-CH2 3.48Å
177	L	98.9	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.6	162.9	176	57.1	0	0	0	108.5	L85 A152 F153 G154 I408 L444 E462	L85-L177 HydrophobicContact CD2-CD2 4.1Å; A152-L177 PolarHBondContact O-N 3.04Å; F153-L177 WeakPolarHBondContact CA-O 3.48Å; F153-L177 HydrophobicContact CD1-CB 3.87Å; F153-L177 HydrophobicContact CD1-CD2 3.96Å; F153-L177 HydrophobicContact CD1-CG 4.4Å; F153-L177 HydrophobicContact CE1-CB 4.2Å; F153-L177 HydrophobicContact CE1-CD2 4.11Å; G154-L177 PolarHBondContact N-O 2.86Å; G154-L177 VanDerWaalsContact N-O 3.12Å; L177-I408 HydrophobicContact CD1-CB 3.76Å; L177-I408 HydrophobicContact CD1-CG2 3.64Å; L177-L444 HydrophobicContact CD2-CD2 3.72Å; L177-L444 HydrophobicContact CG-CD2 4.24Å; L177-E462 HydrophobicContact CD1-CG 4.02Å; L177-E462 HydrophobicContact CD2-CG 4.3Å
178	A	98.8	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	90.8	-178.6	0	0	0	0	0	109.3	G159 A163 A181 I407 I408 F409 S410	G159-A178 WeakPolarHBondContact O-CB 3.49Å; A163-A178 HydrophobicContact CB-CB 3.97Å; A178-A181 HydrophobicContact CB-CB 4.11Å; A178-I407 HydrophobicContact CB-CG2 4.46Å; A178-I408 PolarHBondContact N-O 3.1Å; A178-F409 HydrophobicContact CB-CD1 3.74Å; A178-F409 HydrophobicContact CB-CE1 3.85Å; A178-F409 WeakPolarHBondContact O-CA 3.14Å; A178-S410 PolarHBondContact O-N 3.11Å
179	S	98.7	Very high	97.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.1	-175.5	171.6	0	0	0	0	111.7	G154 G155 S156 A181 S410 H441 D443	G154-S179 PolarHBondContact O-N 3.42Å; G155-S179 CarbonylContact C-O 3.59Å; G155-S179 WeakPolarHBondContact CA-O 3.39Å; S156-S179 PolarHBondContact N-O 2.88Å; S179-A181 PolarHBondContact O-N 3.48Å; S179-A181 VanDerWaalsContact O-N 3.07Å; S179-S410 CarbonylContact C-O 3.53Å; S179-S410 VanDerWaalsContact CA-OG 3.26Å; S179-S410 WeakPolarHBondContact CA-OG 3.4Å; S179-S410 WeakPolarHBondContact CB-OG 3.45Å; S179-H441 WeakPolarHBondContact OG-CA 3.35Å; S179-H441 WeakPolarHBondContact OG-CB 3.38Å; S179-D443 WeakPolarHBondContact CB-OD1 3.42Å; S179-D443 VanDerWaalsContact CB-OD2 3.28Å; S179-D443 WeakPolarHBondContact CB-OD2 3.3Å; S179-D443 VanDerWaalsContact OG-CG 3.29Å; S179-D443 PolarHBondContact OG-OD1 3.49Å; S179-D443 PolarHBondContact OG-OD2 3.1Å
180	S	98.5	Very high	97.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	41.9	-179.6	-78.1	0	0	0	0	112.8	S156 P182 S410 D415 H440 H441	S156-S180 VanDerWaalsContact CA-O 3.31Å; S156-S180 WeakPolarHBondContact CA-O 3.26Å; S180-P182 VanDerWaalsContact O-CD 3.24Å; S180-P182 WeakPolarHBondContact O-CD 3.45Å; S180-S410 PolarHBondContact N-O 3.44Å; S180-D415 WeakPolarHBondContact CB-OD2 3.48Å; S180-D415 PolarHBondContact OG-OD2 2.98Å; S180-H440 WeakPolarHBondContact CB-ND1 3.41Å; S180-H441 PolarHBondContact OG-N 3.16Å
181	A	98.3	Very high	97.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.			trans	-91.9	106.8	-171.1	0	0	0	0	0	111.1	M160 A178 S179 V183 G421	M160-A181 HydrophobicContact CG-CB 4.18Å; A178-A181 HydrophobicContact CB-CB 4.11Å; S179-A181 PolarHBondContact O-N 3.48Å; S179-A181 VanDerWaalsContact O-N 3.07Å; A181-V183 HydrophobicContact CB-CG1 4.33Å; A181-V183 PolarHBondContact O-N 3.23Å; A181-G421 WeakPolarHBondContact O-CA 3.47Å
182	P	97.8	Very high	97.4	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.032	12%	0.123	C	C	.	.			trans	-81.6	49.9	-172.5	35.6	-38	0	0	0	113	M160 S180 R184 W185 V186 W417 G420	M160-P182 HydrophobicContact SD-CG 4.01Å; S180-P182 VanDerWaalsContact O-CD 3.24Å; S180-P182 WeakPolarHBondContact O-CD 3.45Å; P182-R184 PolarHBondContact O-N 3.49Å; P182-R184 VanDerWaalsContact O-N 3.12Å; P182-W185 PolarHBondContact O-N 2.81Å; P182-V186 HydrophobicContact CB-CG2 4.27Å; P182-V186 HydrophobicContact CG-CG2 3.87Å; P182-V186 WeakPolarHBondContact O-CG2 3.29Å; P182-V186 PolarHBondContact O-N 3.14Å; P182-V186 VanDerWaalsContact O-N 3.11Å; P182-W417 HydrophobicContact CB-CB 4.44Å; P182-W417 HydrophobicContact CB-CD2 4.47Å; P182-W417 HydrophobicContact CB-CE3 3.68Å; P182-W417 HydrophobicContact CB-CZ3 4.38Å; P182-W417 HydrophobicContact CG-CD2 4.47Å; P182-W417 HydrophobicContact CG-CE3 3.88Å; P182-W417 HydrophobicContact CG-CZ3 4.4Å; P182-G420 CarbonylContact C-O 3.58Å; P182-G420 VanDerWaalsContact CA-O 3.32Å; P182-G420 WeakPolarHBondContact CA-O 3.44Å
183	V	97.7	Very high	97.3	Very high	2 Å²	2	20 Å²	20	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-57.3	-29.7	-172.2	-67	0	0	0	0	113.9	M160 Y164 A181 A187 W401 F409 G420 I422	M160-V183 HydrophobicContact CB-CG1 4.08Å; M160-V183 HydrophobicContact CG-CG1 3.79Å; Y164-V183 HydrophobicContact CE1-CG1 4.16Å; A181-V183 HydrophobicContact CB-CG1 4.33Å; A181-V183 PolarHBondContact O-N 3.23Å; V183-A187 WeakPolarHBondContact O-CB 3.28Å; V183-A187 PolarHBondContact O-N 3.32Å; V183-W401 HydrophobicContact CB-CZ2 3.87Å; V183-W401 HydrophobicContact CG1-CH2 4.29Å; V183-W401 HydrophobicContact CG1-CZ2 3.95Å; V183-W401 HydrophobicContact CG2-CZ2 3.98Å; V183-F409 HydrophobicContact CG1-CE1 4.32Å; V183-F409 HydrophobicContact CG2-CE1 4.36Å; V183-G420 PolarHBondContact N-O 2.89Å; V183-I422 HydrophobicContact CG2-CD1 3.63Å; V183-I422 HydrophobicContact CG2-CG1 3.65Å
184	R	97.3	Very high	97.2	Very high	84 Å²	84	23.1 Å²	23.1	32%	0.317	14%	0.138	S	C	.	.	H	α-helix	trans	-79.1	-54.3	-178.4	-54.3	-176.7	80.3	-154.7	1.5	111.4	P182 V186 A187 G188 E189 D398 G420 G421 I422	P182-R184 PolarHBondContact O-N 3.49Å; P182-R184 VanDerWaalsContact O-N 3.12Å; R184-V186 VanDerWaalsContact C-N 3.34Å; R184-V186 PolarHBondContact O-N 3.34Å; R184-A187 CarbonylContact O-C 3.22Å; R184-A187 WeakPolarHBondContact O-CA 3.28Å; R184-A187 WeakPolarHBondContact O-CB 3.45Å; R184-A187 PolarHBondContact O-N 2.85Å; R184-A187 VanDerWaalsContact O-N 3.08Å; R184-G188 PolarHBondContact O-N 3.06Å; R184-E189 CarbonylContact C-O 3.49Å; R184-E189 HydrophobicContact CB-CB 4.23Å; R184-E189 WeakPolarHBondContact O-CB 3.32Å; R184-E189 PolarHBondContact O-N 3.37Å; R184-D398 IonicContact CZ-OD2 2.73Å; R184-D398 IonicContact NE-OD1 3.79Å; R184-D398 PolarHBondContact NE-OD1 2.95Å; R184-D398 VanDerWaalsContact NE-OD1 3.09Å; R184-D398 IonicContact NE-OD2 3.63Å; R184-D398 PolarHBondContact NE-OD2 3.3Å; R184-D398 VanDerWaalsContact NE-OD2 3.16Å; R184-D398 IonicContact NH2-OD2 2.88Å; R184-D398 PolarHBondContact NH2-OD2 2.94Å; R184-G420 VanDerWaalsContact CB-O 3.3Å; R184-G420 WeakPolarHBondContact CB-O 3.38Å; R184-G420 WeakPolarHBondContact CG-O 3.41Å; R184-G420 PolarHBondContact N-O 2.82Å; R184-G421 VanDerWaalsContact CD-O 3.31Å; R184-G421 WeakPolarHBondContact CD-O 3.5Å; R184-I422 HydrophobicContact CG-CD1 3.77Å
185	W	97	Very high	97.2	Very high	6 Å²	6	19.8 Å²	19.8	2%	0.023	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-44.5	-179.2	-76.2	-16	0	0	0	111.8	P182 A187 G188 N191 F192 D194 F195 N352 P416 W417 G419 G420	P182-W185 PolarHBondContact O-N 2.81Å; W185-A187 PolarHBondContact O-N 2.91Å; W185-G188 WeakPolarHBondContact O-CA 3.47Å; W185-G188 PolarHBondContact O-N 2.77Å; W185-N191 PolarHBondContact NE1-O 3.3Å; W185-F192 HydrophobicContact CB-CD2 3.98Å; W185-F192 HydrophobicContact CB-CE2 4.4Å; W185-F192 HydrophobicContact CD2-CD2 4.38Å; W185-F192 HydrophobicContact CE3-CD2 4.49Å; W185-F192 HydrophobicContact CG-CD2 4.18Å; W185-D194 HydrophobicContact CH2-CB 4.47Å; W185-D194 HydrophobicContact CZ2-CB 3.84Å; W185-F195 HydrophobicContact CE3-CB 4.49Å; W185-F195 HydrophobicContact CH2-CB 3.83Å; W185-F195 HydrophobicContact CZ3-CB 3.71Å; W185-F195 AromaticContact CZ3-CD2 3.85Å; W185-F195 HydrophobicContact CZ3-CD2 3.85Å; W185-F195 HydrophobicContact CZ3-CG 4.28Å; W185-N352 WeakPolarHBondContact O-CB 3.17Å; W185-P416 VanDerWaalsContact CH2-O 3.28Å; W185-P416 WeakPolarHBondContact CH2-O 3.18Å; W185-P416 VanDerWaalsContact CZ3-O 3.25Å; W185-P416 WeakPolarHBondContact CZ3-O 3.5Å; W185-W417 AromaticContact CE3-CE3 3.95Å; W185-W417 HydrophobicContact CE3-CE3 3.95Å; W185-W417 HydrophobicContact CE3-CZ3 4.38Å; W185-W417 HydrophobicContact CZ3-CE3 4.28Å; W185-G419 VanDerWaalsContact CE2-C 3.43Å; W185-G419 VanDerWaalsContact CZ2-CA 3.43Å; W185-G420 VanDerWaalsContact CD2-N 3.33Å; W185-G420 VanDerWaalsContact CE2-N 3.25Å; W185-G420 VanDerWaalsContact CG-CA 3.4Å
186	V	97.1	Very high	97.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-67.2	-27.1	179.2	-175.2	0	0	0	0	111.7	M160 P182 R184 G188 M351 N352 L353 L392	M160-V186 HydrophobicContact CE-CB 3.81Å; M160-V186 HydrophobicContact CE-CG1 3.63Å; M160-V186 HydrophobicContact CE-CG2 4.19Å; M160-V186 HydrophobicContact SD-CB 4.28Å; M160-V186 HydrophobicContact SD-CG1 4.48Å; M160-V186 HydrophobicContact SD-CG2 4.02Å; P182-V186 HydrophobicContact CB-CG2 4.27Å; P182-V186 HydrophobicContact CG-CG2 3.87Å; P182-V186 WeakPolarHBondContact O-CG2 3.29Å; P182-V186 PolarHBondContact O-N 3.14Å; P182-V186 VanDerWaalsContact O-N 3.11Å; R184-V186 VanDerWaalsContact C-N 3.34Å; R184-V186 PolarHBondContact O-N 3.34Å; V186-G188 PolarHBondContact O-N 2.88Å; V186-M351 HydrophobicContact CG1-CB 3.61Å; V186-M351 HydrophobicContact CG1-CG 3.58Å; V186-M351 HydrophobicContact CG1-SD 4.31Å; V186-N352 WeakPolarHBondContact O-CB 3.21Å; V186-N352 PolarHBondContact O-N 2.73Å; V186-N352 PolarHBondContact O-ND2 3.19Å; V186-L353 HydrophobicContact CG2-CD2 3.98Å; V186-L392 HydrophobicContact CG1-CD1 3.64Å
187	A	96.9	Very high	97.1	Very high	1 Å²	1	22 Å²	22	1%	0.008	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.1	170.5	0	0	0	0	0	114.7	V183 R184 W185 E189 L392 S393	V183-A187 WeakPolarHBondContact O-CB 3.28Å; V183-A187 PolarHBondContact O-N 3.32Å; R184-A187 CarbonylContact O-C 3.22Å; R184-A187 WeakPolarHBondContact O-CA 3.28Å; R184-A187 WeakPolarHBondContact O-CB 3.45Å; R184-A187 PolarHBondContact O-N 2.85Å; R184-A187 VanDerWaalsContact O-N 3.08Å; W185-A187 PolarHBondContact O-N 2.91Å; A187-E189 HydrophobicContact CB-CG 4.24Å; A187-L392 HydrophobicContact CB-CB 4.08Å; A187-S393 VanDerWaalsContact O-CB 3.31Å; A187-S393 WeakPolarHBondContact O-CB 3.3Å; A187-S393 PolarHBondContact O-OG 3.14Å
188	G	95.9	Very high	97.1	Very high	45 Å²	45	23.9 Å²	23.9	46%	0.464	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	21.9	-177.1	0	0	0	0	0	113.4	R184 W185 V186 N352	R184-G188 PolarHBondContact O-N 3.06Å; W185-G188 WeakPolarHBondContact O-CA 3.47Å; W185-G188 PolarHBondContact O-N 2.77Å; V186-G188 PolarHBondContact O-N 2.88Å; G188-N352 PolarHBondContact N-ND2 3.43Å
189	E	94.5	Very high	97.1	Very high	42 Å²	42	23.9 Å²	23.9	20%	0.196	15%	0.147	C	C	.	.			trans	-105.1	143.5	179.9	-56.8	178.4	-179.4	0	0	110.5	R184 A187 G397 D398	R184-E189 CarbonylContact C-O 3.49Å; R184-E189 HydrophobicContact CB-CB 4.23Å; R184-E189 WeakPolarHBondContact O-CB 3.32Å; R184-E189 PolarHBondContact O-N 3.37Å; A187-E189 HydrophobicContact CB-CG 4.24Å; E189-G397 WeakPolarHBondContact OE1-CA 3.49Å; E189-D398 PolarHBondContact OE1-N 3.36Å; E189-D398 PolarHBondContact OE2-N 2.93Å
190	G	93.1	Very high	97	Very high	65 Å²	65	24 Å²	24	67%	0.67	15%	0.147	S	C	*	.	S	Bend	trans	81.9	-166.7	-177.6	0	0	0	0	0	114
191	N	94.9	Very high	97	Very high	74 Å²	74	29.1 Å²	29.1	40%	0.396	17%	0.169	S	C	.	.			trans	-107.3	109.7	178.5	-177.2	25.4	0	0	0	109.8	W185 H193 D194	W185-N191 PolarHBondContact NE1-O 3.3Å; N191-H193 PolarHBondContact O-N 2.82Å; N191-H193 WeakPolarHBondContact OD1-CB 3.24Å; N191-H193 PolarHBondContact OD1-N 3.43Å; N191-D194 PolarHBondContact ND2-OD1 2.68Å; N191-D194 PolarHBondContact O-N 2.86Å
192	F	96.5	Very high	97	Very high	17 Å²	17	29.5 Å²	29.5	8%	0.075	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-29.7	179.8	-166.8	-80.6	0	0	0	111.8	W185 D194 F195 F196 I331 L353 D355 W417	W185-F192 HydrophobicContact CB-CD2 3.98Å; W185-F192 HydrophobicContact CB-CE2 4.4Å; W185-F192 HydrophobicContact CD2-CD2 4.38Å; W185-F192 HydrophobicContact CE3-CD2 4.49Å; W185-F192 HydrophobicContact CG-CD2 4.18Å; F192-D194 PolarHBondContact O-N 2.82Å; F192-D194 VanDerWaalsContact O-N 3.09Å; F192-F195 HydrophobicContact CD1-CB 4.34Å; F192-F195 HydrophobicContact CE1-CB 4.14Å; F192-F195 HydrophobicContact CE1-CD1 4.38Å; F192-F195 HydrophobicContact CE1-CG 4.29Å; F192-F195 WeakPolarHBondContact O-CB 3.25Å; F192-F195 PolarHBondContact O-N 2.8Å; F192-F196 HydrophobicContact CE1-CE2 4.43Å; F192-I331 HydrophobicContact CD1-CG2 4.28Å; F192-I331 HydrophobicContact CE1-CG2 3.47Å; F192-I331 VanDerWaalsContact CE1-CG2 3.47Å; F192-I331 HydrophobicContact CZ-CG2 3.94Å; F192-L353 HydrophobicContact CE2-CD2 3.96Å; F192-L353 HydrophobicContact CZ-CD2 4.44Å; F192-D355 HydrophobicContact CD1-CB 4.04Å; F192-W417 HydrophobicContact CE2-CH2 4.26Å; F192-W417 AromaticContact CE2-CZ3 3.86Å; F192-W417 HydrophobicContact CE2-CZ3 3.86Å; F192-W417 AromaticContact CZ-CH2 3.97Å; F192-W417 HydrophobicContact CZ-CH2 3.97Å; F192-W417 AromaticContact CZ-CZ3 3.95Å; F192-W417 HydrophobicContact CZ-CZ3 3.95Å
193	H	97.2	Very high	97.1	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.032	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.1	-178	-169	64.4	0	0	0	113.8	N191 F195 F196 E197 D355 S357 T360 D363	N191-H193 PolarHBondContact O-N 2.82Å; N191-H193 WeakPolarHBondContact OD1-CB 3.24Å; N191-H193 PolarHBondContact OD1-N 3.43Å; H193-F195 PolarHBondContact O-N 3.22Å; H193-F196 PolarHBondContact O-N 3.07Å; H193-E197 IonicContact CD2-OE1 3.14Å; H193-E197 IonicContact NE2-OE1 3.99Å; H193-E197 PolarHBondContact O-N 3.05Å; H193-D355 WeakPolarHBondContact CA-OD2 3.05Å; H193-D355 IonicContact CG-OD2 2.76Å; H193-D355 IonicContact ND1-OD2 2.93Å; H193-D355 PolarHBondContact ND1-OD2 3.41Å; H193-S357 WeakPolarHBondContact CB-OG 3.31Å; H193-S357 PolarHBondContact ND1-OG 3.1Å; H193-T360 VanDerWaalsContact NE2-CG2 3.28Å; H193-T360 WeakPolarHBondContact NE2-CG2 3.26Å; H193-D363 IonicContact CE1-OD1 3.1Å; H193-D363 IonicContact CE1-OD2 2.64Å; H193-D363 PolarHBondContact CE1-OD2 3.35Å; H193-D363 IonicContact NE2-OD1 2.68Å; H193-D363 IonicContact NE2-OD2 3.7Å; H193-D363 PolarHBondContact NE2-OD2 3.36Å
194	D	96.8	Very high	97.1	Very high	65 Å²	65	33.6 Å²	33.6	35%	0.348	19%	0.186	S	C	.	.	H	α-helix	trans	-56.4	-21	175.7	-63.6	-2.5	0	0	0	112.1	W185 N191 F192 S198	W185-D194 HydrophobicContact CH2-CB 4.47Å; W185-D194 HydrophobicContact CZ2-CB 3.84Å; N191-D194 PolarHBondContact ND2-OD1 2.68Å; N191-D194 PolarHBondContact O-N 2.86Å; F192-D194 PolarHBondContact O-N 2.82Å; F192-D194 VanDerWaalsContact O-N 3.09Å; D194-S198 VanDerWaalsContact O-CB 3.29Å; D194-S198 WeakPolarHBondContact O-CB 3.3Å; D194-S198 PolarHBondContact O-N 3.09Å; D194-S198 PolarHBondContact O-OG 2.94Å
195	F	97.8	Very high	97.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57	-51.2	169	179	-96.5	0	0	0	112	W185 F192 H193 S198 V199 V263 M267 T332 P416 W417	W185-F195 HydrophobicContact CE3-CB 4.49Å; W185-F195 HydrophobicContact CH2-CB 3.83Å; W185-F195 HydrophobicContact CZ3-CB 3.71Å; W185-F195 AromaticContact CZ3-CD2 3.85Å; W185-F195 HydrophobicContact CZ3-CD2 3.85Å; W185-F195 HydrophobicContact CZ3-CG 4.28Å; F192-F195 HydrophobicContact CD1-CB 4.34Å; F192-F195 HydrophobicContact CE1-CB 4.14Å; F192-F195 HydrophobicContact CE1-CD1 4.38Å; F192-F195 HydrophobicContact CE1-CG 4.29Å; F192-F195 WeakPolarHBondContact O-CB 3.25Å; F192-F195 PolarHBondContact O-N 2.8Å; H193-F195 PolarHBondContact O-N 3.22Å; F195-S198 WeakPolarHBondContact O-CB 3.49Å; F195-S198 PolarHBondContact O-N 3.37Å; F195-V199 HydrophobicContact CE1-CG2 4.34Å; F195-V199 WeakPolarHBondContact O-CG2 3.45Å; F195-V199 PolarHBondContact O-N 3.28Å; F195-V263 HydrophobicContact CE1-CB 4.41Å; F195-V263 HydrophobicContact CE1-CG1 3.7Å; F195-V263 HydrophobicContact CE1-CG2 3.82Å; F195-V263 HydrophobicContact CZ-CG1 3.46Å; F195-V263 VanDerWaalsContact CZ-CG1 3.46Å; F195-V263 HydrophobicContact CZ-CG2 4.42Å; F195-M267 HydrophobicContact CZ-SD 4.42Å; F195-T332 HydrophobicContact CD1-CG2 4.28Å; F195-T332 HydrophobicContact CE1-CG2 3.49Å; F195-T332 VanDerWaalsContact CE1-CG2 3.49Å; F195-T332 HydrophobicContact CZ-CG2 3.72Å; F195-P416 HydrophobicContact CD2-CB 3.73Å; F195-P416 HydrophobicContact CD2-CG 4.27Å; F195-P416 VanDerWaalsContact CD2-O 3.28Å; F195-P416 WeakPolarHBondContact CD2-O 3.46Å; F195-P416 HydrophobicContact CE2-CB 3.61Å; F195-P416 HydrophobicContact CE2-CG 3.63Å; F195-P416 HydrophobicContact CG-CB 4.36Å; F195-P416 HydrophobicContact CZ-CB 4.16Å; F195-P416 HydrophobicContact CZ-CG 4.02Å; F195-W417 HydrophobicContact CD2-CD2 4.06Å; F195-W417 HydrophobicContact CD2-CE3 4.29Å; F195-W417 HydrophobicContact CD2-CG 4.38Å; F195-W417 AromaticContact CE2-CD1 3.81Å; F195-W417 AromaticContact CE2-CD2 3.67Å; F195-W417 HydrophobicContact CE2-CD2 3.67Å; F195-W417 AromaticContact CE2-CE2 3.42Å; F195-W417 VanDerWaalsContact CE2-CE2 3.42Å; F195-W417 HydrophobicContact CE2-CE3 4.28Å; F195-W417 AromaticContact CE2-CG 3.93Å; F195-W417 HydrophobicContact CE2-CG 3.93Å; F195-W417 HydrophobicContact CE2-CH2 4.45Å; F195-W417 AromaticContact CE2-CZ2 3.86Å; F195-W417 HydrophobicContact CE2-CZ2 3.86Å; F195-W417 AromaticContact CE2-NE1 3.5Å; F195-W417 HydrophobicContact CZ-CZ2 4.17Å
196	F	98.1	Very high	97.1	Very high	3 Å²	3	35.5 Å²	35.5	1%	0.013	21%	0.207	C	C	.	.	H	α-helix	trans	-72.8	-32.8	-178.5	-63.7	-63.8	0	0	0	112.2	F192 H193 S198 V199 T200 R259 V263 I331 D355 F365	F192-F196 HydrophobicContact CE1-CE2 4.43Å; H193-F196 PolarHBondContact O-N 3.07Å; F196-S198 VanDerWaalsContact C-N 3.3Å; F196-S198 PolarHBondContact O-N 3.5Å; F196-V199 PolarHBondContact O-N 3.31Å; F196-T200 PolarHBondContact O-N 2.95Å; F196-T200 PolarHBondContact O-OG1 3.04Å; F196-R259 HydrophobicContact CD1-CG 4.42Å; F196-R259 HydrophobicContact CE1-CG 4.21Å; F196-V263 HydrophobicContact CD1-CG2 4.42Å; F196-V263 HydrophobicContact CE1-CG2 4.2Å; F196-I331 HydrophobicContact CE2-CD1 3.9Å; F196-I331 HydrophobicContact CE2-CG1 4.46Å; F196-I331 HydrophobicContact CE2-CG2 4.35Å; F196-I331 HydrophobicContact CZ-CD1 4.03Å; F196-I331 HydrophobicContact CZ-CG1 4.09Å; F196-I331 HydrophobicContact CZ-CG2 3.99Å; F196-D355 HydrophobicContact CE2-CB 4.36Å; F196-F365 HydrophobicContact CB-CD2 4.16Å; F196-F365 HydrophobicContact CB-CE2 4.41Å; F196-F365 HydrophobicContact CD1-CD2 4.23Å; F196-F365 HydrophobicContact CD1-CE2 4.22Å
197	E	97.7	Very high	97.2	Very high	44 Å²	44	37.9 Å²	37.9	21%	0.206	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-37.2	170.3	-61.6	-160.4	171.6	0	0	111.2	H193 T200 K201 T360 N362	H193-E197 IonicContact CD2-OE1 3.14Å; H193-E197 IonicContact NE2-OE1 3.99Å; H193-E197 PolarHBondContact O-N 3.05Å; E197-T200 CarbonylContact O-C 3.56Å; E197-T200 PolarHBondContact O-N 2.88Å; E197-K201 WeakPolarHBondContact O-CB 3.37Å; E197-K201 PolarHBondContact O-N 3.18Å; E197-T360 PolarHBondContact OE1-OG1 2.75Å; E197-N362 HydrophobicContact CB-CB 4.43Å; E197-N362 VanDerWaalsContact CD-CB 3.49Å; E197-N362 HydrophobicContact CG-CB 3.94Å; E197-N362 PolarHBondContact OE2-ND2 3.35Å
198	S	97.8	Very high	97.2	Very high	39 Å²	39	41.7 Å²	41.7	27%	0.273	25%	0.245	S	C	.	.	H	α-helix	trans	-67.4	-42	176.5	-61.1	0	0	0	0	112.1	D194 F195 F196 T200 K201 D202	D194-S198 VanDerWaalsContact O-CB 3.29Å; D194-S198 WeakPolarHBondContact O-CB 3.3Å; D194-S198 PolarHBondContact O-N 3.09Å; D194-S198 PolarHBondContact O-OG 2.94Å; F195-S198 WeakPolarHBondContact O-CB 3.49Å; F195-S198 PolarHBondContact O-N 3.37Å; F196-S198 VanDerWaalsContact C-N 3.3Å; F196-S198 PolarHBondContact O-N 3.5Å; S198-T200 VanDerWaalsContact C-N 3.28Å; S198-T200 PolarHBondContact O-N 3.05Å; S198-K201 WeakPolarHBondContact O-CB 3.49Å; S198-K201 PolarHBondContact O-N 3.46Å; S198-D202 PolarHBondContact O-N 2.59Å
199	V	98.6	Very high	97.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-43.5	170.6	178.6	0	0	0	0	110.5	F195 F196 K201 D202 Y203 F262 V263 A266 M364 F365 P416	F195-V199 HydrophobicContact CE1-CG2 4.34Å; F195-V199 WeakPolarHBondContact O-CG2 3.45Å; F195-V199 PolarHBondContact O-N 3.28Å; F196-V199 PolarHBondContact O-N 3.31Å; V199-K201 VanDerWaalsContact C-N 3.33Å; V199-K201 PolarHBondContact O-N 2.9Å; V199-D202 PolarHBondContact O-N 2.85Å; V199-Y203 HydrophobicContact CG1-CD2 4.35Å; V199-Y203 HydrophobicContact CG1-CE2 4.43Å; V199-Y203 WeakPolarHBondContact O-CD2 3.39Å; V199-Y203 PolarHBondContact O-N 3.39Å; V199-F262 HydrophobicContact CG1-CB 4.27Å; V199-V263 HydrophobicContact CG2-CG2 4.14Å; V199-A266 HydrophobicContact CB-CB 4.4Å; V199-A266 HydrophobicContact CG1-CB 4Å; V199-A266 HydrophobicContact CG2-CB 4.19Å; V199-M364 HydrophobicContact CG1-CE 4Å; V199-F365 HydrophobicContact CB-CE2 4.14Å; V199-F365 HydrophobicContact CB-CZ 4.42Å; V199-F365 HydrophobicContact CG1-CE2 3.95Å; V199-F365 HydrophobicContact CG1-CZ 3.72Å; V199-P416 HydrophobicContact CG2-CB 3.52Å; V199-P416 HydrophobicContact CG2-CG 3.96Å
200	T	98.5	Very high	97.5	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-38.4	177.9	-56.5	0	0	0	0	112	F196 E197 S198 Y203 R204 N362 D363 M364	F196-T200 PolarHBondContact O-N 2.95Å; F196-T200 PolarHBondContact O-OG1 3.04Å; E197-T200 CarbonylContact O-C 3.56Å; E197-T200 PolarHBondContact O-N 2.88Å; S198-T200 VanDerWaalsContact C-N 3.28Å; S198-T200 PolarHBondContact O-N 3.05Å; T200-Y203 PolarHBondContact O-N 3.37Å; T200-R204 VanDerWaalsContact O-CB 3.27Å; T200-R204 WeakPolarHBondContact O-CB 3.09Å; T200-R204 PolarHBondContact O-N 2.85Å; T200-N362 WeakPolarHBondContact CB-O 3Å; T200-N362 WeakPolarHBondContact CG2-O 3.22Å; T200-D363 WeakPolarHBondContact OG1-CA 3.45Å; T200-M364 HydrophobicContact CG2-CB 3.8Å; T200-M364 HydrophobicContact CG2-CG 4Å; T200-M364 PolarHBondContact OG1-N 2.85Å
201	K	98.1	Very high	97.8	Very high	108 Å²	108	42 Å²	42	47%	0.47	22%	0.216	S	C	.	.	H	α-helix	trans	-61.5	-45.4	177.6	172.8	170.6	164.5	42.1	0	111.3	E197 S198 V199 Y203 R204 D205	E197-K201 WeakPolarHBondContact O-CB 3.37Å; E197-K201 PolarHBondContact O-N 3.18Å; S198-K201 WeakPolarHBondContact O-CB 3.49Å; S198-K201 PolarHBondContact O-N 3.46Å; V199-K201 VanDerWaalsContact C-N 3.33Å; V199-K201 PolarHBondContact O-N 2.9Å; K201-Y203 PolarHBondContact O-N 2.76Å; K201-R204 WeakPolarHBondContact O-CB 3.48Å; K201-R204 PolarHBondContact O-N 2.93Å; K201-R204 VanDerWaalsContact O-N 3.15Å; K201-D205 IonicContact NZ-OD1 3.26Å; K201-D205 PolarHBondContact NZ-OD1 3.15Å; K201-D205 IonicContact NZ-OD2 2.91Å; K201-D205 PolarHBondContact NZ-OD2 3.25Å; K201-D205 WeakPolarHBondContact O-CB 3.48Å; K201-D205 VanDerWaalsContact O-CG 3.27Å; K201-D205 PolarHBondContact O-N 3.06Å
202	D	98.5	Very high	97.9	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.043	22%	0.224	C	C	.	.	H	α-helix	trans	-56.8	-50.5	176.5	-173.4	10.5	0	0	0	111.5	S198 V199 R204 D205 A206 A266 V285	S198-D202 PolarHBondContact O-N 2.59Å; V199-D202 PolarHBondContact O-N 2.85Å; D202-R204 VanDerWaalsContact C-N 3.31Å; D202-R204 PolarHBondContact O-N 2.97Å; D202-D205 PolarHBondContact O-N 3.3Å; D202-A206 PolarHBondContact O-N 3.13Å; D202-A266 HydrophobicContact CB-CB 4.49Å; D202-A266 WeakPolarHBondContact OD2-CA 3Å; D202-A266 WeakPolarHBondContact OD2-CB 3.08Å; D202-V285 WeakPolarHBondContact OD2-CG2 3.2Å
203	Y	98.7	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-36.7	175	-86.1	-100.8	0	0	0	113.6	V199 T200 K201 D207 I214 F262 M265 V285 C289 M364	V199-Y203 HydrophobicContact CG1-CD2 4.35Å; V199-Y203 HydrophobicContact CG1-CE2 4.43Å; V199-Y203 WeakPolarHBondContact O-CD2 3.39Å; V199-Y203 PolarHBondContact O-N 3.39Å; T200-Y203 PolarHBondContact O-N 3.37Å; K201-Y203 PolarHBondContact O-N 2.76Å; Y203-D207 PolarHBondContact O-N 3.01Å; Y203-D207 VanDerWaalsContact O-N 3.12Å; Y203-I214 HydrophobicContact CD1-CD1 3.55Å; Y203-I214 HydrophobicContact CE1-CD1 3.86Å; Y203-F262 HydrophobicContact CD1-CD1 4.38Å; Y203-F262 AromaticContact CE1-CD1 3.61Å; Y203-F262 HydrophobicContact CE1-CD1 3.61Å; Y203-F262 AromaticContact CE1-CE1 3.97Å; Y203-F262 HydrophobicContact CE1-CE1 3.97Å; Y203-F262 HydrophobicContact CE2-CB 4.29Å; Y203-F262 HydrophobicContact CE2-CD1 4.13Å; Y203-F262 AromaticContact CZ-CD1 3.49Å; Y203-F262 VanDerWaalsContact CZ-CD1 3.49Å; Y203-F262 WeakPolarHBondContact OH-CD1 3.34Å; Y203-M265 VanDerWaalsContact OH-CE 3.24Å; Y203-M265 WeakPolarHBondContact OH-CE 3.12Å; Y203-V285 HydrophobicContact CD1-CG1 4.01Å; Y203-V285 HydrophobicContact CD2-CG1 3.67Å; Y203-V285 HydrophobicContact CD2-CG2 4.23Å; Y203-V285 HydrophobicContact CE1-CG1 4.06Å; Y203-V285 HydrophobicContact CE2-CB 4.22Å; Y203-V285 HydrophobicContact CE2-CG1 3.74Å; Y203-V285 HydrophobicContact CE2-CG2 3.61Å; Y203-V285 HydrophobicContact CG-CG1 3.8Å; Y203-C289 VanDerWaalsContact CD1-SG 3.55Å; Y203-M364 HydrophobicContact CD1-CE 4.19Å; Y203-M364 HydrophobicContact CD1-SD 4.34Å; Y203-M364 HydrophobicContact CD2-CE 3.65Å; Y203-M364 HydrophobicContact CE2-CE 4.13Å; Y203-M364 HydrophobicContact CG-CE 3.7Å; Y203-M364 HydrophobicContact CG-SD 3.99Å
204	R	98.2	Very high	98	Very high	94 Å²	94	44.7 Å²	44.7	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-70.1	-39.2	178.3	-173.3	-171.5	-56.6	169.5	6.5	111.7	T200 K201 D202 A206 D207 P208 N362	T200-R204 VanDerWaalsContact O-CB 3.27Å; T200-R204 WeakPolarHBondContact O-CB 3.09Å; T200-R204 PolarHBondContact O-N 2.85Å; K201-R204 WeakPolarHBondContact O-CB 3.48Å; K201-R204 PolarHBondContact O-N 2.93Å; K201-R204 VanDerWaalsContact O-N 3.15Å; D202-R204 VanDerWaalsContact C-N 3.31Å; D202-R204 PolarHBondContact O-N 2.97Å; R204-A206 VanDerWaalsContact C-N 3.33Å; R204-D207 CarbonylContact O-C 3.42Å; R204-D207 VanDerWaalsContact O-C 3.27Å; R204-P208 HydrophobicContact CG-CB 4.46Å; R204-P208 WeakPolarHBondContact O-CD 3.37Å; R204-P208 WeakPolarHBondContact O-CG 3.48Å; R204-P208 VanDerWaalsContact O-N 3.08Å; R204-N362 PolarHBondContact NH2-O 3.19Å
205	D	97.7	Very high	98.1	Very high	99 Å²	99	44.2 Å²	44.2	53%	0.529	22%	0.22	S	C	.	.	H	α-helix	trans	-71	-31.7	178.1	-70.7	-8.7	0	0	0	111.1	K201 D202	K201-D205 IonicContact NZ-OD1 3.26Å; K201-D205 PolarHBondContact NZ-OD1 3.15Å; K201-D205 IonicContact NZ-OD2 2.91Å; K201-D205 PolarHBondContact NZ-OD2 3.25Å; K201-D205 WeakPolarHBondContact O-CB 3.48Å; K201-D205 VanDerWaalsContact O-CG 3.27Å; K201-D205 PolarHBondContact O-N 3.06Å; D202-D205 PolarHBondContact O-N 3.3Å
206	A	97.7	Very high	98.1	Very high	30 Å²	30	47.3 Å²	47.3	25%	0.248	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-50.1	171.4	0	0	0	0	0	112.6	D202 R204 V285	D202-A206 PolarHBondContact O-N 3.13Å; R204-A206 VanDerWaalsContact C-N 3.33Å; A206-V285 HydrophobicContact CB-CG1 3.93Å
207	D	98.1	Very high	98.2	Very high	51 Å²	51	47.2 Å²	47.2	27%	0.273	24%	0.236	S	C	.	.			trans	-160.6	120	166.8	-171	-38.9	0	0	0	110.3	Y203 R204 K209 C210 S211 L293	Y203-D207 PolarHBondContact O-N 3.01Å; Y203-D207 VanDerWaalsContact O-N 3.12Å; R204-D207 CarbonylContact O-C 3.42Å; R204-D207 VanDerWaalsContact O-C 3.27Å; D207-K209 PolarHBondContact O-N 3.31Å; D207-K209 VanDerWaalsContact O-N 3.14Å; D207-K209 VanDerWaalsContact OD1-CB 3.29Å; D207-K209 WeakPolarHBondContact OD1-CB 3.31Å; D207-K209 PolarHBondContact OD1-N 3.29Å; D207-C210 HydrophobicContact CB-CB 3.93Å; D207-C210 WeakPolarHBondContact O-CA 3.08Å; D207-C210 WeakPolarHBondContact O-CB 2.95Å; D207-C210 PolarHBondContact O-N 2.68Å; D207-S211 PolarHBondContact O-N 2.71Å; D207-L293 HydrophobicContact CB-CD1 4.2Å; D207-L293 VanDerWaalsContact OD2-CD1 3.25Å; D207-L293 WeakPolarHBondContact OD2-CD1 3.42Å
208	P	98	Very high	98.2	Very high	82 Å²	82	45.1 Å²	45.1	53%	0.532	23%	0.227	S	C	.	.	H	α-helix	trans	-55.9	-36.3	179.7	-28.1	35.4	0	0	0	113.7	R204 C210 S211 E212	R204-P208 HydrophobicContact CG-CB 4.46Å; R204-P208 WeakPolarHBondContact O-CD 3.37Å; R204-P208 WeakPolarHBondContact O-CG 3.48Å; R204-P208 VanDerWaalsContact O-N 3.08Å; P208-C210 VanDerWaalsContact C-N 3.26Å; P208-C210 PolarHBondContact O-N 3.44Å; P208-S211 PolarHBondContact O-N 2.69Å; P208-S211 PolarHBondContact O-OG 2.77Å; P208-E212 PolarHBondContact O-N 2.87Å; P208-E212 VanDerWaalsContact O-N 3.13Å
209	K	98.2	Very high	98.2	Very high	146 Å²	146	46.2 Å²	46.2	64%	0.635	23%	0.23	S	C	*	.	H	α-helix	trans	-67.2	-29.6	178.6	-61.3	175.1	-179.2	172.3	0	111.7	D207 K213 L293	D207-K209 PolarHBondContact O-N 3.31Å; D207-K209 VanDerWaalsContact O-N 3.14Å; D207-K209 VanDerWaalsContact OD1-CB 3.29Å; D207-K209 WeakPolarHBondContact OD1-CB 3.31Å; D207-K209 PolarHBondContact OD1-N 3.29Å; K209-K213 WeakPolarHBondContact O-CB 3.19Å; K209-K213 PolarHBondContact O-N 3.34Å; K209-L293 HydrophobicContact CB-CD2 3.97Å
210	C	98.1	Very high	98.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-54.3	176.3	165.4	0	0	0	0	110.6	D207 P208 E212 K213 I214 C289 L293	D207-C210 HydrophobicContact CB-CB 3.93Å; D207-C210 WeakPolarHBondContact O-CA 3.08Å; D207-C210 WeakPolarHBondContact O-CB 2.95Å; D207-C210 PolarHBondContact O-N 2.68Å; P208-C210 VanDerWaalsContact C-N 3.26Å; P208-C210 PolarHBondContact O-N 3.44Å; C210-E212 VanDerWaalsContact C-N 3.31Å; C210-E212 PolarHBondContact O-N 3.32Å; C210-K213 PolarHBondContact O-N 2.67Å; C210-K213 VanDerWaalsContact O-N 3.14Å; C210-I214 WeakPolarHBondContact O-CG1 3.5Å; C210-I214 PolarHBondContact O-N 3.04Å; C210-I214 VanDerWaalsContact SG-CD1 3.56Å; C210-C289 HydrophobicContact CB-CB 3.5Å; C210-C289 VanDerWaalsContact CB-CB 3.5Å; C210-C289 WeakPolarHBondContact CB-SG 3.45Å; C210-C289 WeakPolarHBondContact SG-CA 3.48Å; C210-C289 WeakPolarHBondContact SG-CB 3.05Å; C210-C289 CovalentContact SG-SG 2.04Å; C210-C289 PolarHBondContact SG-SG 2.91Å; C210-L293 HydrophobicContact CB-CD1 4.22Å; C210-L293 HydrophobicContact CB-CG 4.28Å
211	S	97.9	Very high	98.2	Very high	12 Å²	12	48.5 Å²	48.5	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-58.3	-41.9	179.2	69.1	0	0	0	0	112.3	D207 P208 I214 K215	D207-S211 PolarHBondContact O-N 2.71Å; P208-S211 PolarHBondContact O-N 2.69Å; P208-S211 PolarHBondContact O-OG 2.77Å; S211-I214 PolarHBondContact O-N 3.49Å; S211-K215 WeakPolarHBondContact O-CB 3.25Å; S211-K215 PolarHBondContact O-N 3.26Å
212	E	97.9	Very high	98.2	Very high	120 Å²	120	45.7 Å²	45.7	56%	0.561	23%	0.234	S	C	*	.	H	α-helix	trans	-64	-42.5	176.4	-173	-176.2	171.3	0	0	111.9	P208 C210 K215 N216	P208-E212 PolarHBondContact O-N 2.87Å; P208-E212 VanDerWaalsContact O-N 3.13Å; C210-E212 VanDerWaalsContact C-N 3.31Å; C210-E212 PolarHBondContact O-N 3.32Å; E212-K215 WeakPolarHBondContact O-CB 3.3Å; E212-K215 PolarHBondContact O-N 3.04Å; E212-N216 WeakPolarHBondContact O-CB 3.04Å; E212-N216 VanDerWaalsContact O-CG 3.23Å; E212-N216 PolarHBondContact O-N 2.97Å; E212-N216 PolarHBondContact O-ND2 3.44Å
213	K	98.3	Very high	98.2	Very high	35 Å²	35	50.7 Å²	50.7	15%	0.152	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-39	179.7	-165.9	-178.6	-172.9	-176.6	0	112.4	K209 C210 N216 A217 A292 L293 V295 L298 T301	K209-K213 WeakPolarHBondContact O-CB 3.19Å; K209-K213 PolarHBondContact O-N 3.34Å; C210-K213 PolarHBondContact O-N 2.67Å; C210-K213 VanDerWaalsContact O-N 3.14Å; K213-N216 PolarHBondContact O-N 3.12Å; K213-A217 WeakPolarHBondContact O-CB 3.36Å; K213-A217 PolarHBondContact O-N 2.97Å; K213-A292 PolarHBondContact NZ-O 3.06Å; K213-L293 HydrophobicContact CD-CD2 4.13Å; K213-L293 PolarHBondContact NZ-O 3.42Å; K213-V295 WeakPolarHBondContact CE-O 3.39Å; K213-V295 PolarHBondContact NZ-O 2.93Å; K213-L298 HydrophobicContact CG-CD2 3.87Å; K213-T301 HydrophobicContact CD-CG2 3.99Å; K213-T301 VanDerWaalsContact CE-OG1 3.29Å; K213-T301 WeakPolarHBondContact CE-OG1 3.31Å; K213-T301 HydrophobicContact CG-CG2 4.08Å
214	I	98.5	Very high	98.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-46.4	172.9	-70	163.3	0	0	0	109.7	Y203 C210 S211 N216 A217 F218 F262 L302 M364	Y203-I214 HydrophobicContact CD1-CD1 3.55Å; Y203-I214 HydrophobicContact CE1-CD1 3.86Å; C210-I214 WeakPolarHBondContact O-CG1 3.5Å; C210-I214 PolarHBondContact O-N 3.04Å; C210-I214 VanDerWaalsContact SG-CD1 3.56Å; S211-I214 PolarHBondContact O-N 3.49Å; I214-N216 PolarHBondContact O-N 2.8Å; I214-A217 WeakPolarHBondContact O-CB 3.3Å; I214-A217 PolarHBondContact O-N 3.1Å; I214-A217 VanDerWaalsContact O-N 3.12Å; I214-F218 HydrophobicContact CG2-CD2 3.75Å; I214-F218 HydrophobicContact CG2-CE2 3.67Å; I214-F218 WeakPolarHBondContact O-CD2 3.43Å; I214-F218 PolarHBondContact O-N 3.14Å; I214-F262 HydrophobicContact CD1-CD1 4.25Å; I214-F262 HydrophobicContact CD1-CE1 3.57Å; I214-F262 HydrophobicContact CD1-CZ 4.19Å; I214-F262 HydrophobicContact CG1-CE1 4.1Å; I214-F262 HydrophobicContact CG1-CZ 4.22Å; I214-F262 HydrophobicContact CG2-CE1 4.12Å; I214-F262 HydrophobicContact CG2-CE2 4.14Å; I214-F262 HydrophobicContact CG2-CZ 3.8Å; I214-L302 HydrophobicContact CG2-CD2 4.21Å; I214-M364 HydrophobicContact CB-SD 4.14Å; I214-M364 HydrophobicContact CD1-SD 4.12Å; I214-M364 HydrophobicContact CG2-CB 4.38Å; I214-M364 HydrophobicContact CG2-CG 4.13Å; I214-M364 HydrophobicContact CG2-SD 3.75Å
215	K	98.4	Very high	98.1	Very high	55 Å²	55	48.4 Å²	48.4	24%	0.239	25%	0.253	C	S	.	.	H	α-helix	trans	-56.1	-48.1	174.5	-171.6	173.5	-173.8	143.4	0	112.4	S211 E212 A217 F218 N219 T361 D363 M364	S211-K215 WeakPolarHBondContact O-CB 3.25Å; S211-K215 PolarHBondContact O-N 3.26Å; E212-K215 WeakPolarHBondContact O-CB 3.3Å; E212-K215 PolarHBondContact O-N 3.04Å; K215-A217 VanDerWaalsContact C-N 3.27Å; K215-A217 PolarHBondContact O-N 2.88Å; K215-F218 PolarHBondContact O-N 3.45Å; K215-N219 VanDerWaalsContact O-CG 3.31Å; K215-N219 PolarHBondContact O-N 2.89Å; K215-N219 PolarHBondContact O-ND2 2.86Å; K215-T361 PolarHBondContact NZ-O 3.14Å; K215-D363 WeakPolarHBondContact CD-O 3.43Å; K215-D363 WeakPolarHBondContact CE-O 3.27Å; K215-D363 PolarHBondContact NZ-O 3.44Å; K215-M364 VanDerWaalsContact CA-O 3.27Å; K215-M364 WeakPolarHBondContact CA-O 3.4Å; K215-M364 HydrophobicContact CB-CB 4.09Å
216	N	98.3	Very high	98.1	Very high	65 Å²	65	50.8 Å²	50.8	35%	0.348	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-34.4	178	-71.4	-25	0	0	0	112.4	E212 K213 I214 N219 L220 L298	E212-N216 WeakPolarHBondContact O-CB 3.04Å; E212-N216 VanDerWaalsContact O-CG 3.23Å; E212-N216 PolarHBondContact O-N 2.97Å; E212-N216 PolarHBondContact O-ND2 3.44Å; K213-N216 PolarHBondContact O-N 3.12Å; I214-N216 PolarHBondContact O-N 2.8Å; N216-N219 PolarHBondContact O-N 2.9Å; N216-L220 WeakPolarHBondContact O-CB 3.42Å; N216-L220 PolarHBondContact O-N 2.7Å; N216-L298 HydrophobicContact CB-CD1 4.18Å; N216-L298 HydrophobicContact CB-CD2 4.06Å
217	A	98.5	Very high	98	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-70.4	-41.3	176	0	0	0	0	0	113.1	K213 I214 K215 L220 A221 L298 L302	K213-A217 WeakPolarHBondContact O-CB 3.36Å; K213-A217 PolarHBondContact O-N 2.97Å; I214-A217 WeakPolarHBondContact O-CB 3.3Å; I214-A217 PolarHBondContact O-N 3.1Å; I214-A217 VanDerWaalsContact O-N 3.12Å; K215-A217 VanDerWaalsContact C-N 3.27Å; K215-A217 PolarHBondContact O-N 2.88Å; A217-L220 PolarHBondContact O-N 2.88Å; A217-A221 PolarHBondContact O-N 3.42Å; A217-L298 HydrophobicContact CB-CB 4.09Å; A217-L298 HydrophobicContact CB-CD2 4.49Å; A217-L298 WeakPolarHBondContact CB-O 3.41Å; A217-L302 HydrophobicContact CB-CD1 3.8Å; A217-L302 HydrophobicContact CB-CD2 4.11Å; A217-L302 HydrophobicContact CB-CG 3.55Å
218	F	98.4	Very high	97.8	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-44.2	171.1	-85.5	-70.1	0	0	0	111.7	I214 K215 L220 A221 V222 L255 A258 F262 L302 M364 F365 V366	I214-F218 HydrophobicContact CG2-CD2 3.75Å; I214-F218 HydrophobicContact CG2-CE2 3.67Å; I214-F218 WeakPolarHBondContact O-CD2 3.43Å; I214-F218 PolarHBondContact O-N 3.14Å; K215-F218 PolarHBondContact O-N 3.45Å; F218-L220 PolarHBondContact O-N 2.9Å; F218-A221 WeakPolarHBondContact O-CB 3.38Å; F218-A221 PolarHBondContact O-N 2.66Å; F218-A221 VanDerWaalsContact O-N 3.16Å; F218-V222 PolarHBondContact O-N 2.99Å; F218-V222 VanDerWaalsContact O-N 3.1Å; F218-L255 HydrophobicContact CD1-CD2 3.81Å; F218-L255 HydrophobicContact CE1-CD2 4.15Å; F218-A258 HydrophobicContact CE1-CB 3.92Å; F218-A258 HydrophobicContact CZ-CB 3.83Å; F218-F262 HydrophobicContact CE2-CD2 4.07Å; F218-F262 AromaticContact CE2-CE2 3.67Å; F218-F262 HydrophobicContact CE2-CE2 3.67Å; F218-F262 HydrophobicContact CE2-CZ 4.5Å; F218-F262 HydrophobicContact CZ-CD2 4.1Å; F218-F262 AromaticContact CZ-CE2 3.8Å; F218-F262 HydrophobicContact CZ-CE2 3.8Å; F218-L302 HydrophobicContact CD2-CD2 3.93Å; F218-L302 HydrophobicContact CE2-CD2 3.74Å; F218-L302 HydrophobicContact CG-CD2 4.42Å; F218-L302 HydrophobicContact CZ-CD2 4.11Å; F218-M364 WeakPolarHBondContact CD2-O 3.47Å; F218-F365 HydrophobicContact CD2-CD1 4.31Å; F218-F365 AromaticContact CE2-CD1 3.64Å; F218-F365 HydrophobicContact CE2-CD1 3.64Å; F218-F365 HydrophobicContact CE2-CE1 4.02Å; F218-F365 AromaticContact CZ-CD1 3.87Å; F218-F365 HydrophobicContact CZ-CD1 3.87Å; F218-F365 HydrophobicContact CZ-CE1 4.28Å; F218-V366 HydrophobicContact CB-CG1 3.84Å; F218-V366 HydrophobicContact CD1-CG2 4.12Å
219	N	97.9	Very high	97.5	Very high	62 Å²	62	60.4 Å²	60.4	33%	0.332	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-44	176.1	-72.7	-24.4	0	0	0	112.3	K215 N216 A221 V222 Q223	K215-N219 VanDerWaalsContact O-CG 3.31Å; K215-N219 PolarHBondContact O-N 2.89Å; K215-N219 PolarHBondContact O-ND2 2.86Å; N216-N219 PolarHBondContact O-N 2.9Å; N219-A221 VanDerWaalsContact C-N 3.29Å; N219-A221 PolarHBondContact O-N 3.2Å; N219-V222 PolarHBondContact O-N 3.33Å; N219-Q223 WeakPolarHBondContact O-CG 3.4Å; N219-Q223 PolarHBondContact O-N 2.88Å
220	L	98.3	Very high	97.4	Very high	46 Å²	46	59.2 Å²	59.2	24%	0.241	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-37.8	175.3	-179.8	62.8	0	0	0	111.4	N216 A217 F218 V222 Q223 L224 L298 I299	N216-L220 WeakPolarHBondContact O-CB 3.42Å; N216-L220 PolarHBondContact O-N 2.7Å; A217-L220 PolarHBondContact O-N 2.88Å; F218-L220 PolarHBondContact O-N 2.9Å; L220-V222 VanDerWaalsContact C-N 3.32Å; L220-V222 PolarHBondContact O-N 2.81Å; L220-Q223 WeakPolarHBondContact O-CB 3.22Å; L220-Q223 PolarHBondContact O-N 2.78Å; L220-Q223 VanDerWaalsContact O-N 3.16Å; L220-L224 HydrophobicContact CD1-CG 4.3Å; L220-L224 HydrophobicContact CG-CD1 4.22Å; L220-L224 HydrophobicContact CG-CG 4.38Å; L220-L224 WeakPolarHBondContact O-CG 3.41Å; L220-L224 PolarHBondContact O-N 3.16Å; L220-L298 HydrophobicContact CB-CD1 4.29Å; L220-L298 HydrophobicContact CD2-CB 3.72Å; L220-L298 HydrophobicContact CD2-CD1 4.02Å; L220-L298 HydrophobicContact CD2-CG 4.46Å; L220-I299 HydrophobicContact CB-CD1 4.2Å; L220-I299 HydrophobicContact CD2-CD1 4Å; L220-I299 HydrophobicContact CD2-CG1 3.95Å; L220-I299 HydrophobicContact CG-CD1 4.02Å; L220-I299 HydrophobicContact CG-CG1 4.38Å
221	A	98.5	Very high	97.4	Very high	4 Å²	4	59.3 Å²	59.3	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-42.2	177.2	0	0	0	0	0	112	A217 F218 N219 L224 S225 L235 F251 L255 I299	A217-A221 PolarHBondContact O-N 3.42Å; F218-A221 WeakPolarHBondContact O-CB 3.38Å; F218-A221 PolarHBondContact O-N 2.66Å; F218-A221 VanDerWaalsContact O-N 3.16Å; N219-A221 VanDerWaalsContact C-N 3.29Å; N219-A221 PolarHBondContact O-N 3.2Å; A221-L224 PolarHBondContact O-N 3.09Å; A221-S225 PolarHBondContact O-N 3.47Å; A221-L235 HydrophobicContact CB-CD2 3.85Å; A221-F251 HydrophobicContact CB-CE2 4.24Å; A221-F251 HydrophobicContact CB-CZ 4.47Å; A221-F251 WeakPolarHBondContact O-CE2 3.41Å; A221-F251 WeakPolarHBondContact O-CZ 3.38Å; A221-L255 HydrophobicContact CB-CD2 4.36Å; A221-I299 HydrophobicContact CB-CD1 4.02Å
222	V	98	Very high	97.4	Very high	49 Å²	49	59.3 Å²	59.3	30%	0.297	30%	0.298	S	S	.	.	H	α-helix	trans	-66.1	-36.9	173.3	175	0	0	0	0	111.9	F218 N219 L220 S225 F251 L255 V366	F218-V222 PolarHBondContact O-N 2.99Å; F218-V222 VanDerWaalsContact O-N 3.1Å; N219-V222 PolarHBondContact O-N 3.33Å; L220-V222 VanDerWaalsContact C-N 3.32Å; L220-V222 PolarHBondContact O-N 2.81Å; V222-S225 PolarHBondContact O-N 3.47Å; V222-S225 PolarHBondContact O-OG 3.05Å; V222-F251 HydrophobicContact CG2-CE1 4.35Å; V222-F251 HydrophobicContact CG2-CZ 4.07Å; V222-L255 HydrophobicContact CG2-CD1 4.37Å; V222-V366 HydrophobicContact CG2-CB 4.24Å; V222-V366 HydrophobicContact CG2-CG1 3.73Å; V222-V366 HydrophobicContact CG2-CG2 4.32Å
223	Q	98.1	Very high	97.4	Very high	114 Å²	114	60.3 Å²	60.3	53%	0.533	30%	0.301	S	S	.	.	H	α-helix	trans	-65.7	-38.8	175.1	-70.8	171.9	7.9	0	0	112.2	N219 L220 Q226	N219-Q223 WeakPolarHBondContact O-CG 3.4Å; N219-Q223 PolarHBondContact O-N 2.88Å; L220-Q223 WeakPolarHBondContact O-CB 3.22Å; L220-Q223 PolarHBondContact O-N 2.78Å; L220-Q223 VanDerWaalsContact O-N 3.16Å; Q223-Q226 WeakPolarHBondContact O-CB 3.01Å; Q223-Q226 PolarHBondContact O-N 2.79Å
224	L	98.1	Very high	97.4	Very high	29 Å²	29	62.3 Å²	62.3	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-66.9	-38.4	176.6	-70.8	174.2	0	0	0	111.6	L220 A221 Q226 K227 G231 Q234 L235 I299	L220-L224 HydrophobicContact CD1-CG 4.3Å; L220-L224 HydrophobicContact CG-CD1 4.22Å; L220-L224 HydrophobicContact CG-CG 4.38Å; L220-L224 WeakPolarHBondContact O-CG 3.41Å; L220-L224 PolarHBondContact O-N 3.16Å; A221-L224 PolarHBondContact O-N 3.09Å; L224-Q226 PolarHBondContact O-N 3.38Å; L224-K227 PolarHBondContact O-N 2.75Å; L224-G231 WeakPolarHBondContact O-CA 3.5Å; L224-Q234 HydrophobicContact CD1-CG 4.39Å; L224-L235 HydrophobicContact CB-CD1 4.1Å; L224-L235 HydrophobicContact CB-CG 4.18Å; L224-L235 HydrophobicContact CD1-CD2 3.88Å; L224-L235 HydrophobicContact CD1-CG 4.04Å; L224-I299 HydrophobicContact CD1-CD1 4.21Å; L224-I299 HydrophobicContact CD1-CG1 3.95Å
225	S	97.5	Very high	97.4	Very high	17 Å²	17	62.4 Å²	62.4	12%	0.119	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-20.7	179.4	69.5	0	0	0	0	114	A221 V222 K227 P228 Y232 F251	A221-S225 PolarHBondContact O-N 3.47Å; V222-S225 PolarHBondContact O-N 3.47Å; V222-S225 PolarHBondContact O-OG 3.05Å; S225-K227 PolarHBondContact O-N 3.36Å; S225-K227 VanDerWaalsContact O-N 3.1Å; S225-P228 WeakPolarHBondContact O-CD 3.37Å; S225-Y232 VanDerWaalsContact CB-CE1 3.5Å; S225-F251 VanDerWaalsContact OG-CE1 3.28Å; S225-F251 WeakPolarHBondContact OG-CE1 3.41Å
226	Q	97.1	Very high	97.4	Very high	148 Å²	148	60 Å²	60	69%	0.692	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.4	172.6	-63	175.4	-4.6	0	0	113.6	Q223 L224	Q223-Q226 WeakPolarHBondContact O-CB 3.01Å; Q223-Q226 PolarHBondContact O-N 2.79Å; L224-Q226 PolarHBondContact O-N 3.38Å
227	K	96.5	Very high	97.4	Very high	153 Å²	153	61.8 Å²	61.8	67%	0.665	31%	0.311	S	S	*	.	S	Bend	trans	-123.4	72.7	171.9	-63.7	179.5	-176.5	174.8	0	110	L224 S225 D229 I230 G231	L224-K227 PolarHBondContact O-N 2.75Å; S225-K227 PolarHBondContact O-N 3.36Å; S225-K227 VanDerWaalsContact O-N 3.1Å; K227-D229 VanDerWaalsContact C-N 3.3Å; K227-D229 PolarHBondContact O-N 2.96Å; K227-D229 VanDerWaalsContact O-N 3.1Å; K227-I230 PolarHBondContact O-N 3.43Å; K227-I230 VanDerWaalsContact O-N 3.12Å; K227-G231 WeakPolarHBondContact O-CA 3.18Å; K227-G231 PolarHBondContact O-N 2.99Å
228	P	92.7	Very high	97.4	Very high	57 Å²	57	64.1 Å²	64.1	37%	0.37	32%	0.323	S	S	.	.	H	α-helix	trans	-48.1	-45.2	-169	-32.7	37.8	0	0	0	114.9	S225 I230 Y232	S225-P228 WeakPolarHBondContact O-CD 3.37Å; P228-I230 VanDerWaalsContact C-N 3.27Å; P228-I230 PolarHBondContact O-N 2.94Å; P228-Y232 HydrophobicContact CB-CD2 3.81Å; P228-Y232 HydrophobicContact CB-CE2 3.59Å; P228-Y232 HydrophobicContact CG-CE2 4.19Å; P228-Y232 VanDerWaalsContact O-CB 3.31Å; P228-Y232 WeakPolarHBondContact O-CB 3.27Å; P228-Y232 WeakPolarHBondContact O-CD2 3.31Å; P228-Y232 PolarHBondContact O-N 3.12Å
229	D	91.9	Very high	97.4	Very high	156 Å²	156	64.4 Å²	64.4	83%	0.834	33%	0.325	S	S	*	.	H	α-helix	trans	-59	-33.4	-175.2	-63.1	-28	0	0	0	114.2	K227	K227-D229 VanDerWaalsContact C-N 3.3Å; K227-D229 PolarHBondContact O-N 2.96Å; K227-D229 VanDerWaalsContact O-N 3.1Å
230	I	97	Very high	97.4	Very high	120 Å²	120	65.6 Å²	65.6	62%	0.615	32%	0.324	S	S	*	.	H	α-helix	trans	-111.4	-42	-175.4	-56.3	174.6	0	0	0	110.3	K227 P228 K233 Q234	K227-I230 PolarHBondContact O-N 3.43Å; K227-I230 VanDerWaalsContact O-N 3.12Å; P228-I230 VanDerWaalsContact C-N 3.27Å; P228-I230 PolarHBondContact O-N 2.94Å; I230-K233 PolarHBondContact O-N 3.19Å; I230-Q234 WeakPolarHBondContact O-CB 3.48Å; I230-Q234 PolarHBondContact O-N 3.49Å
231	G	97.9	Very high	97.4	Very high	2 Å²	2	64.3 Å²	64.3	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-44.4	-177.2	0	0	0	0	0	112.9	L224 K227 K233 Q234 L235	L224-G231 WeakPolarHBondContact O-CA 3.5Å; K227-G231 WeakPolarHBondContact O-CA 3.18Å; K227-G231 PolarHBondContact O-N 2.99Å; G231-K233 VanDerWaalsContact C-N 3.34Å; G231-K233 PolarHBondContact O-N 3.18Å; G231-Q234 PolarHBondContact O-N 2.84Å; G231-L235 WeakPolarHBondContact O-CB 3.35Å; G231-L235 VanDerWaalsContact O-CG 3.29Å; G231-L235 WeakPolarHBondContact O-CG 3.48Å; G231-L235 PolarHBondContact O-N 3.2Å
232	Y	98.4	Very high	97.4	Very high	12 Å²	12	66.9 Å²	66.9	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-36.8	177.6	-67.4	-25.3	0	0	0	112.7	S225 P228 L235 S236 I245 D248 F251	S225-Y232 VanDerWaalsContact CB-CE1 3.5Å; P228-Y232 HydrophobicContact CB-CD2 3.81Å; P228-Y232 HydrophobicContact CB-CE2 3.59Å; P228-Y232 HydrophobicContact CG-CE2 4.19Å; P228-Y232 VanDerWaalsContact O-CB 3.31Å; P228-Y232 WeakPolarHBondContact O-CB 3.27Å; P228-Y232 WeakPolarHBondContact O-CD2 3.31Å; P228-Y232 PolarHBondContact O-N 3.12Å; Y232-L235 HydrophobicContact CD1-CD1 4.37Å; Y232-S236 VanDerWaalsContact O-CB 3.25Å; Y232-S236 WeakPolarHBondContact O-CB 3.3Å; Y232-S236 PolarHBondContact O-N 2.95Å; Y232-S236 PolarHBondContact O-OG 2.85Å; Y232-I245 HydrophobicContact CD1-CB 4.29Å; Y232-I245 HydrophobicContact CD1-CD1 4.5Å; Y232-I245 HydrophobicContact CD1-CG2 3.64Å; Y232-I245 HydrophobicContact CD2-CG2 4.04Å; Y232-I245 HydrophobicContact CE1-CG2 4.05Å; Y232-I245 HydrophobicContact CE2-CG2 4.41Å; Y232-I245 HydrophobicContact CG-CB 4.15Å; Y232-I245 HydrophobicContact CG-CG2 3.65Å; Y232-D248 WeakPolarHBondContact OH-CA 3.49Å; Y232-D248 PolarHBondContact OH-OD1 3.3Å; Y232-F251 HydrophobicContact CD1-CB 4.36Å; Y232-F251 HydrophobicContact CD1-CD2 4.43Å; Y232-F251 HydrophobicContact CE1-CB 3.56Å; Y232-F251 HydrophobicContact CE1-CD1 4.47Å; Y232-F251 AromaticContact CE1-CD2 3.94Å; Y232-F251 HydrophobicContact CE1-CD2 3.94Å; Y232-F251 AromaticContact CE1-CG 3.73Å; Y232-F251 HydrophobicContact CE1-CG 3.73Å
233	K	98	Very high	97.4	Very high	142 Å²	142	69.7 Å²	69.7	62%	0.617	34%	0.343	S	S	*	.	H	α-helix	trans	-64.9	-45.3	173.7	-174.6	176.9	-179.9	179.2	0	111.5	I230 G231 S236 N237	I230-K233 PolarHBondContact O-N 3.19Å; G231-K233 VanDerWaalsContact C-N 3.34Å; G231-K233 PolarHBondContact O-N 3.18Å; K233-S236 PolarHBondContact O-N 3.45Å; K233-N237 VanDerWaalsContact O-CG 3.22Å; K233-N237 PolarHBondContact O-N 3.34Å; K233-N237 VanDerWaalsContact O-N 3.11Å; K233-N237 PolarHBondContact O-ND2 2.6Å
234	Q	98.1	Very high	97.4	Very high	77 Å²	77	67.7 Å²	67.7	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-52.3	177.4	-179.4	176.5	-10.7	0	0	111.1	L224 I230 G231 S236 N237 D238	L224-Q234 HydrophobicContact CD1-CG 4.39Å; I230-Q234 WeakPolarHBondContact O-CB 3.48Å; I230-Q234 PolarHBondContact O-N 3.49Å; G231-Q234 PolarHBondContact O-N 2.84Å; Q234-S236 VanDerWaalsContact C-N 3.31Å; Q234-S236 PolarHBondContact O-N 3.47Å; Q234-N237 PolarHBondContact O-N 3.04Å; Q234-N237 VanDerWaalsContact O-N 3.17Å; Q234-D238 VanDerWaalsContact CG-OD2 3.32Å; Q234-D238 WeakPolarHBondContact CG-OD2 3.45Å; Q234-D238 PolarHBondContact NE2-OD2 2.86Å; Q234-D238 WeakPolarHBondContact O-CB 3.15Å; Q234-D238 PolarHBondContact O-N 3.08Å
235	L	98.5	Very high	97.4	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-55.9	-45.9	178.1	-75.1	169.1	0	0	0	112	A221 L224 G231 Y232 N237 D238 L239 I245 F251 I299	A221-L235 HydrophobicContact CB-CD2 3.85Å; L224-L235 HydrophobicContact CB-CD1 4.1Å; L224-L235 HydrophobicContact CB-CG 4.18Å; L224-L235 HydrophobicContact CD1-CD2 3.88Å; L224-L235 HydrophobicContact CD1-CG 4.04Å; G231-L235 WeakPolarHBondContact O-CB 3.35Å; G231-L235 VanDerWaalsContact O-CG 3.29Å; G231-L235 WeakPolarHBondContact O-CG 3.48Å; G231-L235 PolarHBondContact O-N 3.2Å; Y232-L235 HydrophobicContact CD1-CD1 4.37Å; L235-N237 VanDerWaalsContact C-N 3.31Å; L235-N237 PolarHBondContact O-N 3.1Å; L235-D238 PolarHBondContact O-N 3.3Å; L235-L239 VanDerWaalsContact O-CB 3.24Å; L235-L239 WeakPolarHBondContact O-CB 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.35Å; L235-L239 PolarHBondContact O-N 3.32Å; L235-I245 HydrophobicContact CB-CD1 3.96Å; L235-I245 HydrophobicContact CD1-CD1 4.44Å; L235-F251 HydrophobicContact CD1-CD2 3.93Å; L235-F251 HydrophobicContact CD1-CE2 3.72Å; L235-I299 HydrophobicContact CD2-CD1 3.73Å; L235-I299 HydrophobicContact CD2-CG1 4.04Å; L235-I299 HydrophobicContact CD2-CG2 3.97Å
236	S	98.5	Very high	97.3	Very high	5 Å²	5	71.9 Å²	71.9	4%	0.035	36%	0.357	C	S	.	.	H	α-helix	trans	-60.5	-41.1	179.6	-59	0	0	0	0	112.4	Y232 K233 Q234 R240 L241 P244 I245	Y232-S236 VanDerWaalsContact O-CB 3.25Å; Y232-S236 WeakPolarHBondContact O-CB 3.3Å; Y232-S236 PolarHBondContact O-N 2.95Å; Y232-S236 PolarHBondContact O-OG 2.85Å; K233-S236 PolarHBondContact O-N 3.45Å; Q234-S236 VanDerWaalsContact C-N 3.31Å; Q234-S236 PolarHBondContact O-N 3.47Å; S236-R240 PolarHBondContact O-N 3Å; S236-L241 PolarHBondContact O-N 3.44Å; S236-P244 WeakPolarHBondContact OG-CA 3.32Å; S236-I245 PolarHBondContact OG-N 2.97Å
237	N	98.2	Very high	97.3	Very high	102 Å²	102	68.1 Å²	68.1	55%	0.545	34%	0.341	S	S	.	.	H	α-helix	trans	-72.1	-50	178.7	-69.1	-18	0	0	0	111.6	K233 Q234 L235 L239 R240	K233-N237 VanDerWaalsContact O-CG 3.22Å; K233-N237 PolarHBondContact O-N 3.34Å; K233-N237 VanDerWaalsContact O-N 3.11Å; K233-N237 PolarHBondContact O-ND2 2.6Å; Q234-N237 PolarHBondContact O-N 3.04Å; Q234-N237 VanDerWaalsContact O-N 3.17Å; L235-N237 VanDerWaalsContact C-N 3.31Å; L235-N237 PolarHBondContact O-N 3.1Å; N237-L239 VanDerWaalsContact C-N 3.32Å; N237-L239 PolarHBondContact O-N 3.39Å; N237-R240 PolarHBondContact O-N 2.88Å
238	D	98.2	Very high	97.3	Very high	49 Å²	49	65.1 Å²	65.1	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-65.4	-37.2	-174.2	-71.1	-8.4	0	0	0	111.4	Q234 L235 R240 I299 P300 R303	Q234-D238 VanDerWaalsContact CG-OD2 3.32Å; Q234-D238 WeakPolarHBondContact CG-OD2 3.45Å; Q234-D238 PolarHBondContact NE2-OD2 2.86Å; Q234-D238 WeakPolarHBondContact O-CB 3.15Å; Q234-D238 PolarHBondContact O-N 3.08Å; L235-D238 PolarHBondContact O-N 3.3Å; D238-R240 VanDerWaalsContact C-N 3.31Å; D238-I299 HydrophobicContact CB-CB 3.88Å; D238-I299 HydrophobicContact CB-CG2 3.45Å; D238-I299 VanDerWaalsContact CB-CG2 3.45Å; D238-P300 HydrophobicContact CB-CG 4.3Å; D238-R303 VanDerWaalsContact O-CD 3.32Å; D238-R303 WeakPolarHBondContact O-CD 3.47Å; D238-R303 PolarHBondContact O-NH1 3.17Å
239	L	98.3	Very high	97.4	Very high	7 Å²	7	68.7 Å²	68.7	4%	0.037	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-9	173.2	-65.6	174	0	0	0	113.8	L235 N237 L241 V254 I299 L302 R303 F319	L235-L239 VanDerWaalsContact O-CB 3.24Å; L235-L239 WeakPolarHBondContact O-CB 3.28Å; L235-L239 WeakPolarHBondContact O-CG 3.35Å; L235-L239 PolarHBondContact O-N 3.32Å; N237-L239 VanDerWaalsContact C-N 3.32Å; N237-L239 PolarHBondContact O-N 3.39Å; L239-L241 HydrophobicContact CB-CD2 3.82Å; L239-L241 HydrophobicContact CB-CG 3.91Å; L239-L241 HydrophobicContact CD1-CD1 4.48Å; L239-L241 HydrophobicContact CD1-CD2 4.43Å; L239-V254 HydrophobicContact CD1-CG1 3.72Å; L239-I299 HydrophobicContact CD2-CG2 3.79Å; L239-I299 HydrophobicContact CG-CG2 3.72Å; L239-L302 HydrophobicContact CD2-CB 3.98Å; L239-R303 HydrophobicContact CD2-CB 4.19Å; L239-R303 WeakPolarHBondContact O-CD 3.25Å; L239-R303 WeakPolarHBondContact O-CG 3.22Å; L239-F319 WeakPolarHBondContact O-CD2 3.28Å
240	R	98	Very high	97.7	Very high	87 Å²	87	62.4 Å²	62.4	33%	0.328	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	52.1	-171.8	-59.5	-175	-66	-158.6	-14.5	112.5	S236 N237 D238 R303 E304 C318 F319	S236-R240 PolarHBondContact O-N 3Å; N237-R240 PolarHBondContact O-N 2.88Å; D238-R240 VanDerWaalsContact C-N 3.31Å; R240-R303 VanDerWaalsContact NE-CD 3.29Å; R240-E304 IonicContact NH2-OE1 2.8Å; R240-E304 PolarHBondContact NH2-OE1 3.41Å; R240-C318 CarbonylContact O-C 3.4Å; R240-C318 WeakPolarHBondContact O-CA 3.32Å; R240-C318 WeakPolarHBondContact O-CB 3.5Å; R240-F319 PolarHBondContact O-N 3.31Å
241	L	98.5	Very high	97.7	Very high	18 Å²	18	56.9 Å²	56.9	9%	0.094	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-74.8	138.6	177.8	-56.2	-177.3	0	0	0	111	S236 L239 K243 I245 V254 W257 F319 Y321	S236-L241 PolarHBondContact O-N 3.44Å; L239-L241 HydrophobicContact CB-CD2 3.82Å; L239-L241 HydrophobicContact CB-CG 3.91Å; L239-L241 HydrophobicContact CD1-CD1 4.48Å; L239-L241 HydrophobicContact CD1-CD2 4.43Å; L241-K243 WeakPolarHBondContact CB-O 3.36Å; L241-K243 PolarHBondContact O-N 3.34Å; L241-I245 HydrophobicContact CD1-CD1 4.07Å; L241-I245 HydrophobicContact CD1-CG1 3.86Å; L241-V254 HydrophobicContact CD1-CG1 4.49Å; L241-V254 HydrophobicContact CD1-CG2 3.79Å; L241-W257 HydrophobicContact CD2-CH2 4.44Å; L241-W257 HydrophobicContact CD2-CZ3 4.35Å; L241-F319 WeakPolarHBondContact CA-O 3.46Å; L241-F319 HydrophobicContact CD2-CB 4.36Å; L241-Y321 HydrophobicContact CB-CD1 4.37Å; L241-Y321 HydrophobicContact CD1-CD1 4.02Å; L241-Y321 HydrophobicContact CD1-CE1 4.12Å; L241-Y321 HydrophobicContact CD2-CD1 4.17Å; L241-Y321 HydrophobicContact CG-CD1 4.41Å
242	C	98.3	Very high	97.7	Very high	59 Å²	59	62.3 Å²	62.3	40%	0.399	30%	0.3	S	S	.	.	S	Bend	trans	-67.2	-27.4	177.6	-62.2	0	0	0	0	112.6	C318 F319 D320	C242-C318 WeakPolarHBondContact CA-SG 3.35Å; C242-C318 HydrophobicContact CB-CB 3.97Å; C242-C318 WeakPolarHBondContact CB-SG 3.38Å; C242-C318 WeakPolarHBondContact SG-CB 3.45Å; C242-C318 PolarHBondContact SG-O 3.02Å; C242-C318 CovalentContact SG-SG 2.04Å; C242-C318 PolarHBondContact SG-SG 2.79Å; C242-F319 PolarHBondContact N-O 3.32Å; C242-D320 HydrophobicContact CB-CB 4.39Å
243	K	97.4	Very high	97.6	Very high	108 Å²	108	63.9 Å²	63.9	47%	0.47	31%	0.306	S	S	.	.	S	Bend	trans	-126.1	131.7	174	-67.9	177.5	-177.6	167.3	0	108.5	L241 Y321 K322	L241-K243 WeakPolarHBondContact CB-O 3.36Å; L241-K243 PolarHBondContact O-N 3.34Å; K243-Y321 WeakPolarHBondContact O-CE1 3.34Å; K243-K322 HydrophobicContact CD-CD 4.38Å
244	P	97.5	Very high	97.6	Very high	72 Å²	72	57.4 Å²	57.4	47%	0.468	28%	0.279	S	S	.	.			trans	-70.6	147.1	178.5	25	-28.6	0	0	0	111.5	S236 Q246	S236-P244 WeakPolarHBondContact OG-CA 3.32Å; P244-Q246 PolarHBondContact O-N 3.32Å; P244-Q246 PolarHBondContact O-NE2 2.9Å
245	I	98.4	Very high	97.6	Very high	8 Å²	8	54 Å²	54	4%	0.041	26%	0.263	C	S	.	.			trans	-62.8	125.1	173.4	-58.8	165.9	0	0	0	109.1	Y232 L235 S236 L241 E250 F251 V254	Y232-I245 HydrophobicContact CD1-CB 4.29Å; Y232-I245 HydrophobicContact CD1-CD1 4.5Å; Y232-I245 HydrophobicContact CD1-CG2 3.64Å; Y232-I245 HydrophobicContact CD2-CG2 4.04Å; Y232-I245 HydrophobicContact CE1-CG2 4.05Å; Y232-I245 HydrophobicContact CE2-CG2 4.41Å; Y232-I245 HydrophobicContact CG-CB 4.15Å; Y232-I245 HydrophobicContact CG-CG2 3.65Å; L235-I245 HydrophobicContact CB-CD1 3.96Å; L235-I245 HydrophobicContact CD1-CD1 4.44Å; S236-I245 PolarHBondContact OG-N 2.97Å; L241-I245 HydrophobicContact CD1-CD1 4.07Å; L241-I245 HydrophobicContact CD1-CG1 3.86Å; I245-E250 HydrophobicContact CG2-CB 4.03Å; I245-F251 HydrophobicContact CD1-CD2 4.42Å; I245-F251 HydrophobicContact CG2-CB 3.94Å; I245-V254 HydrophobicContact CD1-CB 4.47Å; I245-V254 HydrophobicContact CD1-CG2 4.01Å; I245-V254 HydrophobicContact CG1-CG2 3.93Å
246	Q	96.2	Very high	97.6	Very high	126 Å²	126	55.5 Å²	55.5	59%	0.589	27%	0.269	S	S	*	.			trans	-100.4	-26.3	-177.6	-61.3	-55.8	-61.4	0	0	114.2	P244 E250	P244-Q246 PolarHBondContact O-N 3.32Å; P244-Q246 PolarHBondContact O-NE2 2.9Å; Q246-E250 WeakPolarHBondContact CB-OE2 3.43Å; Q246-E250 WeakPolarHBondContact CG-OE2 3.49Å; Q246-E250 PolarHBondContact N-OE2 3.45Å
247	N	96.8	Very high	97.5	Very high	68 Å²	68	55.3 Å²	55.3	36%	0.364	27%	0.268	S	S	.	.	S	Bend	trans	-161.4	173.7	-172.3	55.4	56.1	0	0	0	110.8	F249 E250 F251	N247-F249 VanDerWaalsContact C-N 3.28Å; N247-F249 PolarHBondContact O-N 3.15Å; N247-F249 WeakPolarHBondContact OD1-CB 3.21Å; N247-F249 PolarHBondContact OD1-N 3.48Å; N247-E250 PolarHBondContact O-N 3.45Å; N247-E250 VanDerWaalsContact O-N 3.14Å; N247-E250 PolarHBondContact OD1-N 3Å; N247-F251 PolarHBondContact O-N 3.28Å
248	D	96.6	Very high	97.5	Very high	90 Å²	90	50.6 Å²	50.6	48%	0.481	24%	0.243	S	C	.	.	H	α-helix	trans	-59.5	-37.7	-177.6	-60.5	5.3	0	0	0	112.5	Y232 E250 F251 Y252	Y232-D248 WeakPolarHBondContact OH-CA 3.49Å; Y232-D248 PolarHBondContact OH-OD1 3.3Å; D248-E250 VanDerWaalsContact C-N 3.34Å; D248-E250 PolarHBondContact O-N 3.23Å; D248-F251 WeakPolarHBondContact O-CB 3.27Å; D248-F251 PolarHBondContact O-N 2.83Å; D248-F251 VanDerWaalsContact O-N 3.14Å; D248-Y252 HydrophobicContact CB-CE2 4.39Å; D248-Y252 WeakPolarHBondContact O-CD2 3.32Å; D248-Y252 PolarHBondContact O-N 2.94Å
249	F	95.6	Very high	97.5	Very high	132 Å²	132	48.8 Å²	48.8	58%	0.579	23%	0.233	S	C	*	.	H	α-helix	trans	-59.7	-45.4	176.8	173.6	-92.8	0	0	0	111.5	N247 F251 Y252 W253	N247-F249 VanDerWaalsContact C-N 3.28Å; N247-F249 PolarHBondContact O-N 3.15Å; N247-F249 WeakPolarHBondContact OD1-CB 3.21Å; N247-F249 PolarHBondContact OD1-N 3.48Å; F249-F251 VanDerWaalsContact C-N 3.34Å; F249-Y252 PolarHBondContact O-N 3.14Å; F249-W253 AromaticContact CE1-CE3 3.62Å; F249-W253 HydrophobicContact CE1-CE3 3.62Å; F249-W253 AromaticContact CE1-CZ3 3.9Å; F249-W253 HydrophobicContact CE1-CZ3 3.9Å; F249-W253 HydrophobicContact CE2-CE3 4.44Å; F249-W253 AromaticContact CZ-CE3 3.57Å; F249-W253 HydrophobicContact CZ-CE3 3.57Å; F249-W253 AromaticContact CZ-CZ3 3.56Å; F249-W253 HydrophobicContact CZ-CZ3 3.56Å; F249-W253 PolarHBondContact O-N 3.24Å
250	E	96.9	Very high	97.5	Very high	24 Å²	24	49.1 Å²	49.1	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-34.8	174.9	-71.5	-170.7	178.3	0	0	112.7	I245 Q246 N247 D248 W253 V254 Y321 K322	I245-E250 HydrophobicContact CG2-CB 4.03Å; Q246-E250 WeakPolarHBondContact CB-OE2 3.43Å; Q246-E250 WeakPolarHBondContact CG-OE2 3.49Å; Q246-E250 PolarHBondContact N-OE2 3.45Å; N247-E250 PolarHBondContact O-N 3.45Å; N247-E250 VanDerWaalsContact O-N 3.14Å; N247-E250 PolarHBondContact OD1-N 3Å; D248-E250 VanDerWaalsContact C-N 3.34Å; D248-E250 PolarHBondContact O-N 3.23Å; E250-W253 WeakPolarHBondContact O-CB 3.33Å; E250-W253 PolarHBondContact O-N 2.89Å; E250-V254 WeakPolarHBondContact O-CG2 3.13Å; E250-V254 PolarHBondContact O-N 3.1Å; E250-Y321 WeakPolarHBondContact CB-OH 3.46Å; E250-Y321 PolarHBondContact OE2-OH 2.96Å; E250-Y321 VanDerWaalsContact OE2-OH 3.12Å; E250-K322 VanDerWaalsContact CD-NZ 3.32Å; E250-K322 IonicContact OE1-NZ 3.3Å; E250-K322 PolarHBondContact OE1-NZ 3.22Å; E250-K322 IonicContact OE2-NZ 3.73Å
251	F	98	Very high	97.5	Very high	4 Å²	4	45 Å²	45	2%	0.018	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-48.2	174	171	-109.8	0	0	0	111.8	A221 V222 S225 Y232 L235 I245 N247 D248 F249 W253 V254 L255	A221-F251 HydrophobicContact CB-CE2 4.24Å; A221-F251 HydrophobicContact CB-CZ 4.47Å; A221-F251 WeakPolarHBondContact O-CE2 3.41Å; A221-F251 WeakPolarHBondContact O-CZ 3.38Å; V222-F251 HydrophobicContact CG2-CE1 4.35Å; V222-F251 HydrophobicContact CG2-CZ 4.07Å; S225-F251 VanDerWaalsContact OG-CE1 3.28Å; S225-F251 WeakPolarHBondContact OG-CE1 3.41Å; Y232-F251 HydrophobicContact CD1-CB 4.36Å; Y232-F251 HydrophobicContact CD1-CD2 4.43Å; Y232-F251 HydrophobicContact CE1-CB 3.56Å; Y232-F251 HydrophobicContact CE1-CD1 4.47Å; Y232-F251 AromaticContact CE1-CD2 3.94Å; Y232-F251 HydrophobicContact CE1-CD2 3.94Å; Y232-F251 AromaticContact CE1-CG 3.73Å; Y232-F251 HydrophobicContact CE1-CG 3.73Å; L235-F251 HydrophobicContact CD1-CD2 3.93Å; L235-F251 HydrophobicContact CD1-CE2 3.72Å; I245-F251 HydrophobicContact CD1-CD2 4.42Å; I245-F251 HydrophobicContact CG2-CB 3.94Å; N247-F251 PolarHBondContact O-N 3.28Å; D248-F251 WeakPolarHBondContact O-CB 3.27Å; D248-F251 PolarHBondContact O-N 2.83Å; D248-F251 VanDerWaalsContact O-N 3.14Å; F249-F251 VanDerWaalsContact C-N 3.34Å; F251-W253 PolarHBondContact O-N 2.94Å; F251-V254 WeakPolarHBondContact O-CB 3.42Å; F251-V254 PolarHBondContact O-N 2.74Å; F251-V254 VanDerWaalsContact O-N 3.09Å; F251-L255 HydrophobicContact CD1-CD1 4.15Å; F251-L255 HydrophobicContact CE1-CD1 3.5Å; F251-L255 HydrophobicContact CE1-CG 4.2Å; F251-L255 HydrophobicContact CE2-CD1 4.35Å; F251-L255 HydrophobicContact CE2-CD2 4.16Å; F251-L255 HydrophobicContact CE2-CG 4.19Å; F251-L255 HydrophobicContact CZ-CD1 3.62Å; F251-L255 HydrophobicContact CZ-CD2 3.97Å; F251-L255 HydrophobicContact CZ-CG 3.94Å; F251-L255 PolarHBondContact O-N 2.89Å
252	Y	96.9	Very high	97.5	Very high	116 Å²	116	44.1 Å²	44.1	46%	0.455	22%	0.215	S	C	.	.	H	α-helix	trans	-62.1	-33.9	174.7	-74.4	-69.3	0	0	0	112.1	D248 F249 L255 K256 L368	D248-Y252 HydrophobicContact CB-CE2 4.39Å; D248-Y252 WeakPolarHBondContact O-CD2 3.32Å; D248-Y252 PolarHBondContact O-N 2.94Å; F249-Y252 PolarHBondContact O-N 3.14Å; Y252-L255 HydrophobicContact CD1-CD1 4Å; Y252-L255 HydrophobicContact CE1-CD1 4.42Å; Y252-L255 PolarHBondContact O-N 3.26Å; Y252-K256 WeakPolarHBondContact O-CG 3.36Å; Y252-K256 PolarHBondContact O-N 2.92Å; Y252-L368 HydrophobicContact CD1-CD2 3.74Å; Y252-L368 HydrophobicContact CE1-CD2 4.43Å
253	W	96.9	Very high	97.4	Very high	45 Å²	45	41.4 Å²	41.4	17%	0.17	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-41.9	172.6	-159.3	-61	0	0	0	111.9	F249 E250 F251 L255 K256 W257 Y321 F325 E327	F249-W253 AromaticContact CE1-CE3 3.62Å; F249-W253 HydrophobicContact CE1-CE3 3.62Å; F249-W253 AromaticContact CE1-CZ3 3.9Å; F249-W253 HydrophobicContact CE1-CZ3 3.9Å; F249-W253 HydrophobicContact CE2-CE3 4.44Å; F249-W253 AromaticContact CZ-CE3 3.57Å; F249-W253 HydrophobicContact CZ-CE3 3.57Å; F249-W253 AromaticContact CZ-CZ3 3.56Å; F249-W253 HydrophobicContact CZ-CZ3 3.56Å; F249-W253 PolarHBondContact O-N 3.24Å; E250-W253 WeakPolarHBondContact O-CB 3.33Å; E250-W253 PolarHBondContact O-N 2.89Å; F251-W253 PolarHBondContact O-N 2.94Å; W253-L255 VanDerWaalsContact C-N 3.33Å; W253-L255 PolarHBondContact O-N 3.32Å; W253-K256 PolarHBondContact O-N 3.26Å; W253-W257 VanDerWaalsContact O-CB 3.32Å; W253-W257 WeakPolarHBondContact O-CB 3.44Å; W253-W257 PolarHBondContact O-N 2.84Å; W253-Y321 HydrophobicContact CB-CD2 4.4Å; W253-Y321 HydrophobicContact CB-CE2 4.12Å; W253-Y321 AromaticContact CD1-CD2 3.63Å; W253-Y321 HydrophobicContact CG-CD2 4.23Å; W253-Y321 HydrophobicContact CG-CE2 4.18Å; W253-Y321 PolarHBondContact NE1-O 2.76Å; W253-F325 AromaticContact NE1-CD1 3.74Å; W253-F325 PolarHBondContact NE1-O 3.48Å; W253-E327 HydrophobicContact CH2-CB 4.06Å; W253-E327 HydrophobicContact CZ2-CB 4.43Å; W253-E327 HydrophobicContact CZ3-CB 4.18Å
254	V	98.1	Very high	97.4	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.036	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-39.9	174.1	170.8	0	0	0	0	111.4	L239 L241 I245 E250 F251 W257 A258 Y321	L239-V254 HydrophobicContact CD1-CG1 3.72Å; L241-V254 HydrophobicContact CD1-CG1 4.49Å; L241-V254 HydrophobicContact CD1-CG2 3.79Å; I245-V254 HydrophobicContact CD1-CB 4.47Å; I245-V254 HydrophobicContact CD1-CG2 4.01Å; I245-V254 HydrophobicContact CG1-CG2 3.93Å; E250-V254 WeakPolarHBondContact O-CG2 3.13Å; E250-V254 PolarHBondContact O-N 3.1Å; F251-V254 WeakPolarHBondContact O-CB 3.42Å; F251-V254 PolarHBondContact O-N 2.74Å; F251-V254 VanDerWaalsContact O-N 3.09Å; V254-W257 HydrophobicContact CG1-CE3 4.19Å; V254-W257 PolarHBondContact O-N 2.93Å; V254-A258 WeakPolarHBondContact O-CB 3.04Å; V254-A258 PolarHBondContact O-N 3.17Å; V254-Y321 HydrophobicContact CG2-CD1 4.02Å; V254-Y321 HydrophobicContact CG2-CD2 3.55Å; V254-Y321 HydrophobicContact CG2-CE1 4.09Å; V254-Y321 HydrophobicContact CG2-CE2 3.66Å; V254-Y321 HydrophobicContact CG2-CG 3.74Å
255	L	98.1	Very high	97.5	Very high	5 Å²	5	34 Å²	34	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-43.8	176	-64	174.5	0	0	0	111.9	F218 A221 V222 F251 Y252 W253 A258 R259 V366 L368	F218-L255 HydrophobicContact CD1-CD2 3.81Å; F218-L255 HydrophobicContact CE1-CD2 4.15Å; A221-L255 HydrophobicContact CB-CD2 4.36Å; V222-L255 HydrophobicContact CG2-CD1 4.37Å; F251-L255 HydrophobicContact CD1-CD1 4.15Å; F251-L255 HydrophobicContact CE1-CD1 3.5Å; F251-L255 HydrophobicContact CE1-CG 4.2Å; F251-L255 HydrophobicContact CE2-CD1 4.35Å; F251-L255 HydrophobicContact CE2-CD2 4.16Å; F251-L255 HydrophobicContact CE2-CG 4.19Å; F251-L255 HydrophobicContact CZ-CD1 3.62Å; F251-L255 HydrophobicContact CZ-CD2 3.97Å; F251-L255 HydrophobicContact CZ-CG 3.94Å; F251-L255 PolarHBondContact O-N 2.89Å; Y252-L255 HydrophobicContact CD1-CD1 4Å; Y252-L255 HydrophobicContact CE1-CD1 4.42Å; Y252-L255 PolarHBondContact O-N 3.26Å; W253-L255 VanDerWaalsContact C-N 3.33Å; W253-L255 PolarHBondContact O-N 3.32Å; L255-A258 PolarHBondContact O-N 3.08Å; L255-R259 WeakPolarHBondContact O-CB 3.17Å; L255-R259 PolarHBondContact O-N 3.36Å; L255-V366 HydrophobicContact CB-CG2 4.48Å; L255-V366 HydrophobicContact CD1-CG2 3.81Å; L255-V366 HydrophobicContact CD2-CG2 4.08Å; L255-V366 HydrophobicContact CG-CG2 4.36Å; L255-L368 HydrophobicContact CB-CD1 4.02Å; L255-L368 HydrophobicContact CB-CD2 4.11Å; L255-L368 HydrophobicContact CD1-CD2 4.2Å
256	K	97.5	Very high	97.5	Very high	34 Å²	34	33.7 Å²	33.7	15%	0.148	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-42.2	176	-67.9	175.4	-171.3	175.5	0	112.1	Y252 W253 A258 R259 N260 F325 E327 L368	Y252-K256 WeakPolarHBondContact O-CG 3.36Å; Y252-K256 PolarHBondContact O-N 2.92Å; W253-K256 PolarHBondContact O-N 3.26Å; K256-A258 PolarHBondContact O-N 3.02Å; K256-R259 PolarHBondContact O-N 3.18Å; K256-N260 WeakPolarHBondContact O-CB 3.3Å; K256-N260 PolarHBondContact O-N 3.47Å; K256-F325 HydrophobicContact CB-CD1 4.07Å; K256-F325 HydrophobicContact CB-CE1 3.41Å; K256-F325 VanDerWaalsContact CB-CE1 3.41Å; K256-F325 HydrophobicContact CB-CZ 3.71Å; K256-F325 HydrophobicContact CD-CE1 4.18Å; K256-F325 HydrophobicContact CG-CE1 4.4Å; K256-E327 IonicContact NZ-OE1 3.66Å; K256-E327 PolarHBondContact NZ-OE1 2.99Å; K256-E327 IonicContact NZ-OE2 3.64Å; K256-E327 PolarHBondContact NZ-OE2 3.49Å; K256-L368 HydrophobicContact CG-CD1 4.05Å; K256-L368 HydrophobicContact CG-CD2 4.41Å
257	W	97.7	Very high	97.5	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-57.1	-47.8	173	164.8	80	0	0	0	111.7	L241 W253 V254 N260 A261 V306 Y310 F319 F325	L241-W257 HydrophobicContact CD2-CH2 4.44Å; L241-W257 HydrophobicContact CD2-CZ3 4.35Å; W253-W257 VanDerWaalsContact O-CB 3.32Å; W253-W257 WeakPolarHBondContact O-CB 3.44Å; W253-W257 PolarHBondContact O-N 2.84Å; V254-W257 HydrophobicContact CG1-CE3 4.19Å; V254-W257 PolarHBondContact O-N 2.93Å; W257-N260 PolarHBondContact O-N 2.93Å; W257-A261 PolarHBondContact O-N 2.85Å; W257-V306 HydrophobicContact CH2-CB 4.48Å; W257-V306 HydrophobicContact CH2-CG2 3.5Å; W257-V306 VanDerWaalsContact CH2-CG2 3.5Å; W257-V306 HydrophobicContact CZ2-CG2 4.01Å; W257-V306 HydrophobicContact CZ3-CG2 4.11Å; W257-Y310 AromaticContact CD1-CE2 3.41Å; W257-Y310 VanDerWaalsContact CD1-CE2 3.41Å; W257-Y310 AromaticContact CD1-CZ 3.47Å; W257-Y310 VanDerWaalsContact CD1-CZ 3.47Å; W257-Y310 HydrophobicContact CD2-CE2 4.03Å; W257-Y310 AromaticContact CE2-CD2 3.52Å; W257-Y310 AromaticContact CE2-CE2 3.39Å; W257-Y310 HydrophobicContact CG-CE2 4.04Å; W257-Y310 AromaticContact CZ2-CD2 3.55Å; W257-Y310 HydrophobicContact CZ2-CD2 3.55Å; W257-Y310 AromaticContact CZ2-CE2 3.91Å; W257-Y310 HydrophobicContact CZ2-CE2 3.91Å; W257-Y310 HydrophobicContact CZ2-CG 4.39Å; W257-Y310 AromaticContact NE1-CD2 3.33Å; W257-Y310 VanDerWaalsContact NE1-CD2 3.33Å; W257-Y310 AromaticContact NE1-CE2 2.99Å; W257-Y310 AromaticContact NE1-CG 3.94Å; W257-Y310 AromaticContact NE1-CZ 3.4Å; W257-Y310 PolarHBondContact O-OH 3.25Å; W257-F319 HydrophobicContact CH2-CB 3.92Å; W257-F319 HydrophobicContact CH2-CD1 4.24Å; W257-F319 HydrophobicContact CH2-CD2 4.42Å; W257-F319 AromaticContact CH2-CG 3.94Å; W257-F319 HydrophobicContact CH2-CG 3.94Å; W257-F319 HydrophobicContact CZ2-CB 3.58Å; W257-F319 AromaticContact CZ2-CD1 3.71Å; W257-F319 HydrophobicContact CZ2-CD1 3.71Å; W257-F319 AromaticContact CZ2-CG 3.73Å; W257-F319 HydrophobicContact CZ2-CG 3.73Å; W257-F325 HydrophobicContact CB-CB 3.79Å; W257-F325 HydrophobicContact CB-CD1 4.46Å; W257-F325 HydrophobicContact CB-CG 4.25Å; W257-F325 HydrophobicContact CG-CB 4.21Å
258	A	98.3	Very high	97.5	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.033	12%	0.115	C	C	.	.	H	α-helix	trans	-63.6	-47.6	177.3	0	0	0	0	0	111.3	F218 V254 L255 K256 N260 A261 F262 V306	F218-A258 HydrophobicContact CE1-CB 3.92Å; F218-A258 HydrophobicContact CZ-CB 3.83Å; V254-A258 WeakPolarHBondContact O-CB 3.04Å; V254-A258 PolarHBondContact O-N 3.17Å; L255-A258 PolarHBondContact O-N 3.08Å; K256-A258 PolarHBondContact O-N 3.02Å; A258-N260 VanDerWaalsContact C-N 3.29Å; A258-N260 PolarHBondContact O-N 3.02Å; A258-A261 WeakPolarHBondContact O-CB 3.41Å; A258-A261 PolarHBondContact O-N 2.86Å; A258-A261 VanDerWaalsContact O-N 3.16Å; A258-F262 WeakPolarHBondContact O-CD2 3.37Å; A258-F262 PolarHBondContact O-N 3.22Å; A258-V306 HydrophobicContact CB-CG1 4.13Å
259	R	98	Very high	97.6	Very high	10 Å²	10	21.3 Å²	21.3	4%	0.038	9%	0.093	C	C	.	.	H	α-helix	trans	-55	-43.9	175.8	-176.9	175.4	71.4	176.1	-2.5	111.7	F196 L255 K256 A261 F262 V263 I331 F365	F196-R259 HydrophobicContact CD1-CG 4.42Å; F196-R259 HydrophobicContact CE1-CG 4.21Å; L255-R259 WeakPolarHBondContact O-CB 3.17Å; L255-R259 PolarHBondContact O-N 3.36Å; K256-R259 PolarHBondContact O-N 3.18Å; R259-A261 VanDerWaalsContact C-N 3.34Å; R259-A261 PolarHBondContact O-N 3.33Å; R259-F262 PolarHBondContact O-N 3.12Å; R259-F262 VanDerWaalsContact O-N 3.16Å; R259-V263 HydrophobicContact CG-CG2 4.25Å; R259-V263 WeakPolarHBondContact O-CG2 3.48Å; R259-V263 PolarHBondContact O-N 3.45Å; R259-I331 VanDerWaalsContact NH2-CG1 3.33Å; R259-I331 PolarHBondContact NH2-O 3.19Å; R259-I331 VanDerWaalsContact NH2-O 3.08Å; R259-F365 HydrophobicContact CB-CD1 4.1Å; R259-F365 HydrophobicContact CB-CE1 4.19Å; R259-F365 HydrophobicContact CG-CD1 3.78Å; R259-F365 HydrophobicContact CG-CD2 4.24Å; R259-F365 HydrophobicContact CG-CE1 3.8Å; R259-F365 HydrophobicContact CG-CE2 4.24Å; R259-F365 HydrophobicContact CG-CG 4Å; R259-F365 HydrophobicContact CG-CZ 4.02Å
260	N	97.4	Very high	97.7	Very high	15 Å²	15	15 Å²	15	8%	0.08	7%	0.066	C	C	.	.	H	α-helix	trans	-58.1	-42.4	178.2	174.3	-98.6	0	0	0	112.1	K256 W257 A258 F262 V263 M264 Y310 F325 T332	K256-N260 WeakPolarHBondContact O-CB 3.3Å; K256-N260 PolarHBondContact O-N 3.47Å; W257-N260 PolarHBondContact O-N 2.93Å; A258-N260 VanDerWaalsContact C-N 3.29Å; A258-N260 PolarHBondContact O-N 3.02Å; N260-F262 VanDerWaalsContact C-N 3.32Å; N260-F262 PolarHBondContact O-N 2.81Å; N260-V263 WeakPolarHBondContact O-CB 3.44Å; N260-V263 PolarHBondContact O-N 2.9Å; N260-M264 WeakPolarHBondContact O-CB 3.3Å; N260-M264 WeakPolarHBondContact O-CG 3.37Å; N260-M264 PolarHBondContact O-N 3.09Å; N260-Y310 PolarHBondContact OD1-OH 2.55Å; N260-F325 HydrophobicContact CB-CD2 3.43Å; N260-F325 VanDerWaalsContact CB-CD2 3.43Å; N260-F325 HydrophobicContact CB-CE2 3.74Å; N260-F325 HydrophobicContact CB-CG 4.42Å; N260-T332 PolarHBondContact ND2-O 2.75Å
261	A	97.8	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.8	-44.4	176	0	0	0	0	0	112.6	W257 A258 R259 M264 M265 V306 F309 Y310	W257-A261 PolarHBondContact O-N 2.85Å; A258-A261 WeakPolarHBondContact O-CB 3.41Å; A258-A261 PolarHBondContact O-N 2.86Å; A258-A261 VanDerWaalsContact O-N 3.16Å; R259-A261 VanDerWaalsContact C-N 3.34Å; R259-A261 PolarHBondContact O-N 3.33Å; A261-M264 PolarHBondContact O-N 3.23Å; A261-M265 HydrophobicContact CB-CE 4.14Å; A261-M265 WeakPolarHBondContact O-CE 3.48Å; A261-M265 WeakPolarHBondContact O-CG 3.42Å; A261-M265 PolarHBondContact O-N 3.32Å; A261-V306 HydrophobicContact CB-CB 3.72Å; A261-V306 HydrophobicContact CB-CG1 3.84Å; A261-F309 HydrophobicContact CB-CB 4.15Å; A261-F309 HydrophobicContact CB-CD1 4.13Å; A261-Y310 HydrophobicContact CB-CD2 3.99Å; A261-Y310 HydrophobicContact CB-CE2 3.59Å
262	F	98.5	Very high	97.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.4	-44.1	178	-64.2	-71	0	0	0	111.7	V199 Y203 I214 F218 A258 R259 N260 M265 A266 L302 A305 V306 M364 F365	V199-F262 HydrophobicContact CG1-CB 4.27Å; Y203-F262 HydrophobicContact CD1-CD1 4.38Å; Y203-F262 AromaticContact CE1-CD1 3.61Å; Y203-F262 HydrophobicContact CE1-CD1 3.61Å; Y203-F262 AromaticContact CE1-CE1 3.97Å; Y203-F262 HydrophobicContact CE1-CE1 3.97Å; Y203-F262 HydrophobicContact CE2-CB 4.29Å; Y203-F262 HydrophobicContact CE2-CD1 4.13Å; Y203-F262 AromaticContact CZ-CD1 3.49Å; Y203-F262 VanDerWaalsContact CZ-CD1 3.49Å; Y203-F262 WeakPolarHBondContact OH-CD1 3.34Å; I214-F262 HydrophobicContact CD1-CD1 4.25Å; I214-F262 HydrophobicContact CD1-CE1 3.57Å; I214-F262 HydrophobicContact CD1-CZ 4.19Å; I214-F262 HydrophobicContact CG1-CE1 4.1Å; I214-F262 HydrophobicContact CG1-CZ 4.22Å; I214-F262 HydrophobicContact CG2-CE1 4.12Å; I214-F262 HydrophobicContact CG2-CE2 4.14Å; I214-F262 HydrophobicContact CG2-CZ 3.8Å; F218-F262 HydrophobicContact CE2-CD2 4.07Å; F218-F262 AromaticContact CE2-CE2 3.67Å; F218-F262 HydrophobicContact CE2-CE2 3.67Å; F218-F262 HydrophobicContact CE2-CZ 4.5Å; F218-F262 HydrophobicContact CZ-CD2 4.1Å; F218-F262 AromaticContact CZ-CE2 3.8Å; F218-F262 HydrophobicContact CZ-CE2 3.8Å; A258-F262 WeakPolarHBondContact O-CD2 3.37Å; A258-F262 PolarHBondContact O-N 3.22Å; R259-F262 PolarHBondContact O-N 3.12Å; R259-F262 VanDerWaalsContact O-N 3.16Å; N260-F262 VanDerWaalsContact C-N 3.32Å; N260-F262 PolarHBondContact O-N 2.81Å; F262-M265 HydrophobicContact CD1-CE 4.28Å; F262-M265 PolarHBondContact O-N 3.02Å; F262-A266 PolarHBondContact O-N 3.21Å; F262-L302 HydrophobicContact CE2-CD2 3.98Å; F262-L302 HydrophobicContact CZ-CD2 3.93Å; F262-A305 HydrophobicContact CE1-CB 3.77Å; F262-A305 HydrophobicContact CZ-CB 3.88Å; F262-V306 HydrophobicContact CD2-CG1 4.47Å; F262-V306 HydrophobicContact CE2-CG1 3.78Å; F262-V306 HydrophobicContact CZ-CG1 3.95Å; F262-M364 HydrophobicContact CB-CE 3.86Å; F262-M364 HydrophobicContact CD1-CE 3.99Å; F262-M364 HydrophobicContact CG-CE 3.95Å; F262-F365 HydrophobicContact CB-CE1 3.83Å; F262-F365 HydrophobicContact CB-CZ 3.76Å; F262-F365 AromaticContact CD2-CE1 3.76Å; F262-F365 HydrophobicContact CD2-CE1 3.76Å; F262-F365 HydrophobicContact CG-CE1 4.02Å; F262-F365 HydrophobicContact CG-CZ 4.4Å
263	V	97.8	Very high	97.6	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-56.9	-51.4	174.2	167.5	0	0	0	0	111.1	F195 F196 V199 R259 N260 M265 A266 M267 T332	F195-V263 HydrophobicContact CE1-CB 4.41Å; F195-V263 HydrophobicContact CE1-CG1 3.7Å; F195-V263 HydrophobicContact CE1-CG2 3.82Å; F195-V263 HydrophobicContact CZ-CG1 3.46Å; F195-V263 VanDerWaalsContact CZ-CG1 3.46Å; F195-V263 HydrophobicContact CZ-CG2 4.42Å; F196-V263 HydrophobicContact CD1-CG2 4.42Å; F196-V263 HydrophobicContact CE1-CG2 4.2Å; V199-V263 HydrophobicContact CG2-CG2 4.14Å; R259-V263 HydrophobicContact CG-CG2 4.25Å; R259-V263 WeakPolarHBondContact O-CG2 3.48Å; R259-V263 PolarHBondContact O-N 3.45Å; N260-V263 WeakPolarHBondContact O-CB 3.44Å; N260-V263 PolarHBondContact O-N 2.9Å; V263-M265 VanDerWaalsContact C-N 3.32Å; V263-M265 PolarHBondContact O-N 3.28Å; V263-A266 PolarHBondContact O-N 3.45Å; V263-M267 HydrophobicContact CG1-CG 4.42Å; V263-M267 HydrophobicContact CG1-SD 3.85Å; V263-M267 WeakPolarHBondContact O-CG 3.46Å; V263-M267 PolarHBondContact O-N 2.89Å; V263-T332 HydrophobicContact CG1-CG2 4.48Å
264	M	97	Very high	97.4	Very high	26 Å²	26	16.8 Å²	16.8	13%	0.128	8%	0.08	C	C	.	.	H	α-helix	trans	-64.4	-36.4	-177.4	-67.5	-59.1	-64.8	0	0	112.3	N260 A261 M267 L268 M277 F309	N260-M264 WeakPolarHBondContact O-CB 3.3Å; N260-M264 WeakPolarHBondContact O-CG 3.37Å; N260-M264 PolarHBondContact O-N 3.09Å; A261-M264 PolarHBondContact O-N 3.23Å; M264-M267 HydrophobicContact SD-SD 4.49Å; M264-L268 HydrophobicContact CE-CD1 4.24Å; M264-L268 VanDerWaalsContact O-CB 3.3Å; M264-L268 WeakPolarHBondContact O-CB 3.36Å; M264-L268 VanDerWaalsContact O-CG 3.3Å; M264-L268 WeakPolarHBondContact O-CG 3.3Å; M264-L268 PolarHBondContact O-N 3.24Å; M264-L268 VanDerWaalsContact O-N 3.08Å; M264-M277 HydrophobicContact CE-CB 4.15Å; M264-M277 HydrophobicContact CE-CE 3.85Å; M264-M277 HydrophobicContact CE-SD 3.63Å; M264-F309 HydrophobicContact CB-CD1 4.37Å; M264-F309 HydrophobicContact CB-CD2 3.88Å; M264-F309 HydrophobicContact CB-CE1 4.05Å; M264-F309 HydrophobicContact CB-CE2 3.53Å; M264-F309 HydrophobicContact CB-CG 4.3Å; M264-F309 HydrophobicContact CB-CZ 3.64Å; M264-F309 HydrophobicContact CE-CE2 4.2Å; M264-F309 HydrophobicContact CE-CZ 4.03Å; M264-F309 HydrophobicContact CG-CE1 3.9Å; M264-F309 HydrophobicContact CG-CE2 4Å; M264-F309 HydrophobicContact CG-CZ 3.57Å
265	M	98.3	Very high	96.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-69.3	-41.2	175.6	-73.2	-176.8	-78.7	0	0	112.4	Y203 A261 F262 V263 L268 D269 L280 P284 V285 A305 V308 F309	Y203-M265 VanDerWaalsContact OH-CE 3.24Å; Y203-M265 WeakPolarHBondContact OH-CE 3.12Å; A261-M265 HydrophobicContact CB-CE 4.14Å; A261-M265 WeakPolarHBondContact O-CE 3.48Å; A261-M265 WeakPolarHBondContact O-CG 3.42Å; A261-M265 PolarHBondContact O-N 3.32Å; F262-M265 HydrophobicContact CD1-CE 4.28Å; F262-M265 PolarHBondContact O-N 3.02Å; V263-M265 VanDerWaalsContact C-N 3.32Å; V263-M265 PolarHBondContact O-N 3.28Å; M265-L268 CarbonylContact O-C 3.55Å; M265-L268 VanDerWaalsContact O-C 3.32Å; M265-L268 PolarHBondContact O-N 3.19Å; M265-D269 WeakPolarHBondContact O-CA 3.32Å; M265-D269 WeakPolarHBondContact O-CB 3.39Å; M265-D269 PolarHBondContact O-N 3.19Å; M265-L280 HydrophobicContact CG-CD2 4.41Å; M265-P284 HydrophobicContact CB-CB 4.21Å; M265-P284 HydrophobicContact CB-CG 4.45Å; M265-P284 HydrophobicContact CG-CB 4.08Å; M265-P284 HydrophobicContact SD-CB 4.49Å; M265-V285 HydrophobicContact CB-CG2 4.19Å; M265-A305 WeakPolarHBondContact CE-O 3.24Å; M265-V308 HydrophobicContact SD-CB 3.61Å; M265-V308 HydrophobicContact SD-CG1 3.7Å; M265-F309 HydrophobicContact CE-CB 4.37Å; M265-F309 HydrophobicContact CG-CB 4.07Å; M265-F309 HydrophobicContact SD-CB 4.28Å
266	A	98.3	Very high	95.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.6	-44.9	176.1	0	0	0	0	0	111.8	V199 D202 F262 V263 L268 D269 V285 P416	V199-A266 HydrophobicContact CB-CB 4.4Å; V199-A266 HydrophobicContact CG1-CB 4Å; V199-A266 HydrophobicContact CG2-CB 4.19Å; D202-A266 HydrophobicContact CB-CB 4.49Å; D202-A266 WeakPolarHBondContact OD2-CA 3Å; D202-A266 WeakPolarHBondContact OD2-CB 3.08Å; F262-A266 PolarHBondContact O-N 3.21Å; V263-A266 PolarHBondContact O-N 3.45Å; A266-L268 PolarHBondContact O-N 2.67Å; A266-D269 PolarHBondContact O-N 2.99Å; A266-V285 HydrophobicContact CB-CG2 4.36Å; A266-P416 HydrophobicContact CB-CG 4.42Å
267	M	97.3	Very high	94.9	Very high	16 Å²	16	25.6 Å²	25.6	8%	0.079	13%	0.132	C	C	.	.	H	α-helix	trans	-56.5	-40	173.6	-72.9	176.8	60.4	0	0	112.2	F195 V263 M264 P416 W417 H440	F195-M267 HydrophobicContact CZ-SD 4.42Å; V263-M267 HydrophobicContact CG1-CG 4.42Å; V263-M267 HydrophobicContact CG1-SD 3.85Å; V263-M267 WeakPolarHBondContact O-CG 3.46Å; V263-M267 PolarHBondContact O-N 2.89Å; M264-M267 HydrophobicContact SD-SD 4.49Å; M267-P416 HydrophobicContact CB-CG 4.45Å; M267-P416 HydrophobicContact CG-CG 3.45Å; M267-P416 VanDerWaalsContact CG-CG 3.45Å; M267-W417 PolarHBondContact SD-NE1 3.01Å; M267-H440 HydrophobicContact CB-CB 4.42Å; M267-H440 WeakPolarHBondContact O-CB 3.43Å; M267-H440 PolarHBondContact O-N 3.49Å
268	L	96.9	Very high	94.3	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	29.8	-175.2	-56.7	169.9	0	0	0	112.9	M264 M265 A266 Y270 F276 M277 L280 P284	M264-L268 HydrophobicContact CE-CD1 4.24Å; M264-L268 VanDerWaalsContact O-CB 3.3Å; M264-L268 WeakPolarHBondContact O-CB 3.36Å; M264-L268 VanDerWaalsContact O-CG 3.3Å; M264-L268 WeakPolarHBondContact O-CG 3.3Å; M264-L268 PolarHBondContact O-N 3.24Å; M264-L268 VanDerWaalsContact O-N 3.08Å; M265-L268 CarbonylContact O-C 3.55Å; M265-L268 VanDerWaalsContact O-C 3.32Å; M265-L268 PolarHBondContact O-N 3.19Å; A266-L268 PolarHBondContact O-N 2.67Å; L268-Y270 HydrophobicContact CB-CD2 4.42Å; L268-Y270 HydrophobicContact CB-CE2 4.24Å; L268-Y270 HydrophobicContact CD2-CE2 3.67Å; L268-Y270 PolarHBondContact O-N 2.79Å; L268-F276 HydrophobicContact CD2-CD1 4.5Å; L268-M277 HydrophobicContact CD1-CB 4.05Å; L268-M277 HydrophobicContact CD1-CE 3.82Å; L268-M277 HydrophobicContact CD2-CE 3.52Å; L268-M277 HydrophobicContact CG-CE 3.96Å; L268-L280 HydrophobicContact CB-CD1 3.67Å; L268-L280 HydrophobicContact CD1-CD1 3.75Å; L268-L280 HydrophobicContact CG-CD1 4.39Å; L268-P284 WeakPolarHBondContact O-CG 3.36Å
269	D	97.8	Very high	94	Very high	4 Å²	4	30 Å²	30	2%	0.021	16%	0.164	C	C	.	.			trans	-75.2	50.8	-177.5	-156.1	47	0	0	0	113.2	M265 A266 N283 P284 V285 L414 A439	M265-D269 WeakPolarHBondContact O-CA 3.32Å; M265-D269 WeakPolarHBondContact O-CB 3.39Å; M265-D269 PolarHBondContact O-N 3.19Å; A266-D269 PolarHBondContact O-N 2.99Å; D269-N283 WeakPolarHBondContact OD1-CA 3Å; D269-P284 HydrophobicContact CB-CG 4.48Å; D269-P284 WeakPolarHBondContact OD1-CD 3.31Å; D269-P284 WeakPolarHBondContact OD1-CG 3.42Å; D269-V285 HydrophobicContact CB-CG2 4.1Å; D269-V285 WeakPolarHBondContact OD1-CB 3.28Å; D269-V285 PolarHBondContact OD1-N 2.89Å; D269-L414 HydrophobicContact CB-CD1 4.46Å; D269-A439 HydrophobicContact CB-CB 4.41Å
270	Y	97.7	Very high	93.9	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	16%	0.164	C	C	.	.			trans	-70.2	145.9	-178.5	-61.2	-55.5	0	0	0	111.4	L268 Y272 A274 N283 A439 H440 H441 L442 R445	L268-Y270 HydrophobicContact CB-CD2 4.42Å; L268-Y270 HydrophobicContact CB-CE2 4.24Å; L268-Y270 HydrophobicContact CD2-CE2 3.67Å; L268-Y270 PolarHBondContact O-N 2.79Å; Y270-Y272 PolarHBondContact O-N 3.09Å; Y270-A274 HydrophobicContact CD2-CB 3.68Å; Y270-A274 HydrophobicContact CE2-CB 4.32Å; Y270-N283 PolarHBondContact O-N 3.29Å; Y270-A439 HydrophobicContact CD1-CB 3.7Å; Y270-A439 HydrophobicContact CE1-CB 3.83Å; Y270-A439 HydrophobicContact CG-CB 4.47Å; Y270-H440 VanDerWaalsContact CE1-O 3.25Å; Y270-H440 WeakPolarHBondContact CE1-O 3.43Å; Y270-H440 PolarHBondContact OH-O 3.4Å; Y270-H441 PolarHBondContact OH-CE1 3.44Å; Y270-H441 PolarHBondContact OH-ND1 2.95Å; Y270-L442 HydrophobicContact CD1-CB 4.47Å; Y270-L442 HydrophobicContact CD1-CD1 3.87Å; Y270-L442 HydrophobicContact CE1-CB 4.31Å; Y270-L442 HydrophobicContact CE1-CD1 4.34Å; Y270-R445 VanDerWaalsContact CE1-CD 3.46Å
271	P	97.4	Very high	93.9	Very high	20 Å²	20	31 Å²	31	13%	0.13	17%	0.172	C	C	.	.	S	Bend	trans	-72.9	4.5	-177.8	31.4	-36.7	0	0	0	114.1	A282 N283 N450	P271-A282 WeakPolarHBondContact O-CB 3.3Å; P271-N283 WeakPolarHBondContact CA-OD1 3.42Å; P271-N450 HydrophobicContact CB-CB 4.34Å; P271-N450 WeakPolarHBondContact CB-O 3.34Å; P271-N450 WeakPolarHBondContact CG-O 3.24Å
272	Y	96.6	Very high	93.9	Very high	22 Å²	22	32.6 Å²	32.6	9%	0.086	19%	0.186	C	C	.	.	S	Bend	trans	-142.3	166.5	179.7	47.3	-102.1	0	0	0	110.1	Y270 A274 L442 R445 D448 D451	Y270-Y272 PolarHBondContact O-N 3.09Å; Y272-A274 PolarHBondContact O-N 3.42Å; Y272-L442 HydrophobicContact CE1-CD1 4.2Å; Y272-L442 WeakPolarHBondContact OH-CD1 3.27Å; Y272-R445 WeakPolarHBondContact OH-CB 3.44Å; Y272-R445 VanDerWaalsContact OH-CD 3.27Å; Y272-R445 WeakPolarHBondContact OH-CD 3.38Å; Y272-R445 PolarHBondContact OH-NE 3.02Å; Y272-R445 VanDerWaalsContact OH-NE 3.08Å; Y272-D448 HydrophobicContact CD1-CB 3.45Å; Y272-D448 VanDerWaalsContact CD1-CB 3.45Å; Y272-D448 HydrophobicContact CE1-CB 3.4Å; Y272-D448 HydrophobicContact CG-CB 4.31Å; Y272-D451 WeakPolarHBondContact CE1-OD1 3.46Å
273	K	95.3	Very high	93.8	Very high	174 Å²	174	35.3 Å²	35.3	76%	0.757	20%	0.2	S	C	*	.			trans	-62.4	135.4	177.6	-63.7	-175.5	177.8	179.3	0	110.6	L280	K273-L280 WeakPolarHBondContact CA-O 3.46Å
274	A	93.1	Very high	93.8	Very high	10 Å²	10	35.3 Å²	35.3	8%	0.083	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	146.6	177.9	0	0	0	0	0	110.9	Y270 Y272 L280	Y270-A274 HydrophobicContact CD2-CB 3.68Å; Y270-A274 HydrophobicContact CE2-CB 4.32Å; Y272-A274 PolarHBondContact O-N 3.42Å; A274-L280 PolarHBondContact N-O 2.9Å; A274-L280 PolarHBondContact O-N 3.32Å
275	S	86.8	Confident	93.9	Very high	97 Å²	97	34 Å²	34	68%	0.678	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	48	178.6	66.5	0	0	0	0	111.1	A278	S275-A278 WeakPolarHBondContact CA-O 3.49Å
276	F	74.7	Confident	93.9	Very high	47 Å²	47	37.6 Å²	37.6	21%	0.206	21%	0.213	C	C	.	.	S	Bend	trans	-90.7	-65.7	-175.9	178.9	-131.3	0	0	0	111.7	F79 N82 L268	F79-F276 HydrophobicContact CD1-CE2 4.33Å; F79-F276 AromaticContact CD1-CZ 3.96Å; F79-F276 HydrophobicContact CD1-CZ 3.96Å; F79-F276 HydrophobicContact CE1-CE2 4.2Å; F79-F276 AromaticContact CE1-CZ 3.5Å; F79-F276 HydrophobicContact CE1-CZ 3.5Å; F79-F276 HydrophobicContact CZ-CZ 4.09Å; N82-F276 HydrophobicContact CB-CD2 4.06Å; N82-F276 HydrophobicContact CB-CE2 4.34Å; N82-F276 VanDerWaalsContact ND2-CD2 3.31Å; N82-F276 WeakPolarHBondContact ND2-CD2 3.47Å; L268-F276 HydrophobicContact CD2-CD1 4.5Å
277	M	80	Confident	93.9	Very high	86 Å²	86	39.8 Å²	39.8	42%	0.424	23%	0.226	S	C	.	.	S	Bend	trans	-103.8	-24.1	174.3	-68.5	-171.6	-85.7	0	0	113.2	M264 L268	M264-M277 HydrophobicContact CE-CB 4.15Å; M264-M277 HydrophobicContact CE-CE 3.85Å; M264-M277 HydrophobicContact CE-SD 3.63Å; L268-M277 HydrophobicContact CD1-CB 4.05Å; L268-M277 HydrophobicContact CD1-CE 3.82Å; L268-M277 HydrophobicContact CD2-CE 3.52Å; L268-M277 HydrophobicContact CG-CE 3.96Å
278	A	84.5	Confident	94	Very high	20 Å²	20	39 Å²	39	17%	0.165	22%	0.222	C	C	.	.	S	Bend	trans	-149	160.7	170.9	0	0	0	0	0	108.6	S275 L280 F309	S275-A278 WeakPolarHBondContact CA-O 3.49Å; A278-L280 HydrophobicContact CB-CD1 4.5Å; A278-L280 HydrophobicContact CB-CG 4.1Å; A278-L280 PolarHBondContact O-N 3.11Å; A278-F309 HydrophobicContact CB-CD2 3.73Å; A278-F309 HydrophobicContact CB-CE2 3.46Å; A278-F309 VanDerWaalsContact CB-CE2 3.46Å; A278-F309 HydrophobicContact CB-CZ 4.41Å
279	S	92.8	Very high	94.1	Very high	77 Å²	77	39 Å²	39	54%	0.538	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	101.8	168.4	-176.3	0	0	0	0	108.2	S312	S279-S312 WeakPolarHBondContact O-CB 3.45Å; S279-S312 PolarHBondContact O-OG 3.39Å
280	L	96.4	Very high	94.1	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.4	-176.6	-71.3	174	0	0	0	111.4	M265 L268 K273 A274 A278 P284 V308 F309	M265-L280 HydrophobicContact CG-CD2 4.41Å; L268-L280 HydrophobicContact CB-CD1 3.67Å; L268-L280 HydrophobicContact CD1-CD1 3.75Å; L268-L280 HydrophobicContact CG-CD1 4.39Å; K273-L280 WeakPolarHBondContact CA-O 3.46Å; A274-L280 PolarHBondContact N-O 2.9Å; A274-L280 PolarHBondContact O-N 3.32Å; A278-L280 HydrophobicContact CB-CD1 4.5Å; A278-L280 HydrophobicContact CB-CG 4.1Å; A278-L280 PolarHBondContact O-N 3.11Å; L280-P284 HydrophobicContact CB-CB 4.32Å; L280-P284 HydrophobicContact CB-CG 4.47Å; L280-P284 HydrophobicContact CD1-CB 4.38Å; L280-P284 HydrophobicContact CD1-CG 4.24Å; L280-P284 HydrophobicContact CD2-CB 4.1Å; L280-V308 HydrophobicContact CD2-CG1 4.3Å; L280-F309 HydrophobicContact CD2-CD2 4.22Å
281	P	96.6	Very high	94.1	Very high	39 Å²	39	49 Å²	49	25%	0.253	27%	0.268	S	S	.	.			trans	-66.6	173.4	169.4	32.7	-35.8	0	0	0	110.7	P284 V287 V308	P281-P284 HydrophobicContact CG-CB 4.38Å; P281-P284 WeakPolarHBondContact O-CD 3.25Å; P281-V287 HydrophobicContact CB-CG2 4.03Å; P281-V287 HydrophobicContact CG-CB 3.96Å; P281-V287 HydrophobicContact CG-CG1 4.09Å; P281-V287 HydrophobicContact CG-CG2 3.72Å; P281-V308 HydrophobicContact CG-CG1 4.04Å
282	A	97.4	Very high	94.2	Very high	35 Å²	35	48 Å²	48	29%	0.289	26%	0.262	S	S	.	.	S	Bend	trans	-65.9	137.3	166.9	0	0	0	0	0	110.3	P271	P271-A282 WeakPolarHBondContact O-CB 3.3Å
283	N	97.9	Very high	94.3	Very high	57 Å²	57	49.9 Å²	49.9	31%	0.305	27%	0.273	S	S	.	.	S	Bend	trans	46.8	61.8	-176	-43.4	-80.7	0	0	0	111.2	D269 Y270 P271 V285 N286 V287	D269-N283 WeakPolarHBondContact OD1-CA 3Å; Y270-N283 PolarHBondContact O-N 3.29Å; P271-N283 WeakPolarHBondContact CA-OD1 3.42Å; N283-V285 PolarHBondContact O-N 3.43Å; N283-V285 VanDerWaalsContact O-N 3.12Å; N283-N286 HydrophobicContact CB-CB 4.15Å; N283-N286 VanDerWaalsContact CB-OD1 3.31Å; N283-N286 WeakPolarHBondContact CB-OD1 3.44Å; N283-N286 WeakPolarHBondContact O-CB 3.47Å; N283-N286 PolarHBondContact O-N 3.34Å; N283-V287 PolarHBondContact O-N 2.97Å
284	P	98.1	Very high	94.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-51.2	-29.8	-178.7	23.9	-37.1	0	0	0	114.2	M265 L268 D269 L280 P281 V287 S288 V308	M265-P284 HydrophobicContact CB-CB 4.21Å; M265-P284 HydrophobicContact CB-CG 4.45Å; M265-P284 HydrophobicContact CG-CB 4.08Å; M265-P284 HydrophobicContact SD-CB 4.49Å; L268-P284 WeakPolarHBondContact O-CG 3.36Å; D269-P284 HydrophobicContact CB-CG 4.48Å; D269-P284 WeakPolarHBondContact OD1-CD 3.31Å; D269-P284 WeakPolarHBondContact OD1-CG 3.42Å; L280-P284 HydrophobicContact CB-CB 4.32Å; L280-P284 HydrophobicContact CB-CG 4.47Å; L280-P284 HydrophobicContact CD1-CB 4.38Å; L280-P284 HydrophobicContact CD1-CG 4.24Å; L280-P284 HydrophobicContact CD2-CB 4.1Å; P281-P284 HydrophobicContact CG-CB 4.38Å; P281-P284 WeakPolarHBondContact O-CD 3.25Å; P284-V287 PolarHBondContact O-N 2.79Å; P284-S288 VanDerWaalsContact O-CB 3.32Å; P284-S288 WeakPolarHBondContact O-CB 3.08Å; P284-S288 PolarHBondContact O-N 3.21Å; P284-V308 HydrophobicContact CB-CG1 4.25Å
285	V	98.7	Very high	94.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-46.3	174.9	173.3	0	0	0	0	111.2	D202 Y203 A206 M265 A266 D269 N283 V287 S288 C289	D202-V285 WeakPolarHBondContact OD2-CG2 3.2Å; Y203-V285 HydrophobicContact CD1-CG1 4.01Å; Y203-V285 HydrophobicContact CD2-CG1 3.67Å; Y203-V285 HydrophobicContact CD2-CG2 4.23Å; Y203-V285 HydrophobicContact CE1-CG1 4.06Å; Y203-V285 HydrophobicContact CE2-CB 4.22Å; Y203-V285 HydrophobicContact CE2-CG1 3.74Å; Y203-V285 HydrophobicContact CE2-CG2 3.61Å; Y203-V285 HydrophobicContact CG-CG1 3.8Å; A206-V285 HydrophobicContact CB-CG1 3.93Å; M265-V285 HydrophobicContact CB-CG2 4.19Å; A266-V285 HydrophobicContact CB-CG2 4.36Å; D269-V285 HydrophobicContact CB-CG2 4.1Å; D269-V285 WeakPolarHBondContact OD1-CB 3.28Å; D269-V285 PolarHBondContact OD1-N 2.89Å; N283-V285 PolarHBondContact O-N 3.43Å; N283-V285 VanDerWaalsContact O-N 3.12Å; V285-V287 VanDerWaalsContact C-N 3.3Å; V285-V287 PolarHBondContact O-N 3.48Å; V285-S288 WeakPolarHBondContact O-CB 3.38Å; V285-S288 PolarHBondContact O-N 3.08Å; V285-C289 WeakPolarHBondContact O-CB 3.41Å; V285-C289 PolarHBondContact O-N 3.41Å
286	N	98.6	Very high	95	Very high	75 Å²	75	48.3 Å²	48.3	40%	0.401	28%	0.282	S	S	.	.	H	α-helix	trans	-61	-38.9	174.6	-63.4	80.9	0	0	0	112.2	N283 C289 K290	N283-N286 HydrophobicContact CB-CB 4.15Å; N283-N286 VanDerWaalsContact CB-OD1 3.31Å; N283-N286 WeakPolarHBondContact CB-OD1 3.44Å; N283-N286 WeakPolarHBondContact O-CB 3.47Å; N283-N286 PolarHBondContact O-N 3.34Å; N286-C289 PolarHBondContact O-N 2.95Å; N286-K290 WeakPolarHBondContact O-CB 3.21Å; N286-K290 PolarHBondContact O-N 2.97Å
287	V	98.3	Very high	96.1	Very high	45 Å²	45	51.2 Å²	51.2	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-67.5	-43.2	176.9	-179.1	0	0	0	0	110.9	P281 N283 P284 V285 C289 K290 N291 V308	P281-V287 HydrophobicContact CB-CG2 4.03Å; P281-V287 HydrophobicContact CG-CB 3.96Å; P281-V287 HydrophobicContact CG-CG1 4.09Å; P281-V287 HydrophobicContact CG-CG2 3.72Å; N283-V287 PolarHBondContact O-N 2.97Å; P284-V287 PolarHBondContact O-N 2.79Å; V285-V287 VanDerWaalsContact C-N 3.3Å; V285-V287 PolarHBondContact O-N 3.48Å; V287-C289 VanDerWaalsContact C-N 3.32Å; V287-C289 PolarHBondContact O-N 2.88Å; V287-K290 PolarHBondContact O-N 3.02Å; V287-N291 WeakPolarHBondContact O-CB 3.29Å; V287-N291 PolarHBondContact O-N 3.18Å; V287-N291 PolarHBondContact O-OD1 3.5Å; V287-V308 HydrophobicContact CB-CG1 4.48Å; V287-V308 HydrophobicContact CG1-CG1 4.35Å; V287-V308 HydrophobicContact CG1-CG2 3.99Å
288	S	98.6	Very high	97	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.4	-45.7	174.8	-169	0	0	0	0	111	P284 V285 N291 A292 A305	P284-S288 VanDerWaalsContact O-CB 3.32Å; P284-S288 WeakPolarHBondContact O-CB 3.08Å; P284-S288 PolarHBondContact O-N 3.21Å; V285-S288 WeakPolarHBondContact O-CB 3.38Å; V285-S288 PolarHBondContact O-N 3.08Å; S288-N291 PolarHBondContact O-N 3.23Å; S288-A292 VanDerWaalsContact O-CB 3.32Å; S288-A292 WeakPolarHBondContact O-CB 3.45Å; S288-A292 PolarHBondContact O-N 2.93Å; S288-A305 WeakPolarHBondContact OG-CA 3.12Å; S288-A305 WeakPolarHBondContact OG-CB 3.38Å; S288-A305 PolarHBondContact OG-O 3.02Å
289	C	98.7	Very high	97.6	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.027	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-42.6	176.4	-80.3	0	0	0	0	113.6	Y203 C210 V285 N286 V287 N291 A292 L293	Y203-C289 VanDerWaalsContact CD1-SG 3.55Å; C210-C289 HydrophobicContact CB-CB 3.5Å; C210-C289 VanDerWaalsContact CB-CB 3.5Å; C210-C289 WeakPolarHBondContact CB-SG 3.45Å; C210-C289 WeakPolarHBondContact SG-CA 3.48Å; C210-C289 WeakPolarHBondContact SG-CB 3.05Å; C210-C289 CovalentContact SG-SG 2.04Å; C210-C289 PolarHBondContact SG-SG 2.91Å; V285-C289 WeakPolarHBondContact O-CB 3.41Å; V285-C289 PolarHBondContact O-N 3.41Å; N286-C289 PolarHBondContact O-N 2.95Å; V287-C289 VanDerWaalsContact C-N 3.32Å; V287-C289 PolarHBondContact O-N 2.88Å; C289-N291 VanDerWaalsContact C-N 3.32Å; C289-N291 PolarHBondContact O-N 3.25Å; C289-A292 PolarHBondContact O-N 3.18Å; C289-L293 WeakPolarHBondContact O-CB 3.27Å; C289-L293 VanDerWaalsContact O-CG 3.28Å; C289-L293 WeakPolarHBondContact O-CG 3.36Å; C289-L293 PolarHBondContact O-N 2.7Å
290	K	98.4	Very high	97.9	Very high	160 Å²	160	45.9 Å²	45.9	70%	0.696	26%	0.264	S	S	*	.	H	α-helix	trans	-59	-45.4	174.5	-178	-178.4	177	-177.8	0	111.4	N286 V287 L293 A294	N286-K290 WeakPolarHBondContact O-CB 3.21Å; N286-K290 PolarHBondContact O-N 2.97Å; V287-K290 PolarHBondContact O-N 3.02Å; K290-L293 PolarHBondContact O-N 2.84Å; K290-A294 WeakPolarHBondContact O-CB 3.46Å; K290-A294 PolarHBondContact O-N 3Å; K290-A294 VanDerWaalsContact O-N 3.17Å
291	N	98	Very high	98	Very high	55 Å²	55	45.6 Å²	45.6	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-64.7	-44.3	178.1	-73.3	3.4	0	0	0	111.4	V287 S288 C289 L293 A294 E304 V308	V287-N291 WeakPolarHBondContact O-CB 3.29Å; V287-N291 PolarHBondContact O-N 3.18Å; V287-N291 PolarHBondContact O-OD1 3.5Å; S288-N291 PolarHBondContact O-N 3.23Å; C289-N291 VanDerWaalsContact C-N 3.32Å; C289-N291 PolarHBondContact O-N 3.25Å; N291-L293 VanDerWaalsContact C-N 3.34Å; N291-L293 PolarHBondContact O-N 3.13Å; N291-A294 PolarHBondContact O-N 3.36Å; N291-E304 HydrophobicContact CB-CB 4.18Å; N291-V308 WeakPolarHBondContact ND2-CG2 3.5Å
292	A	98.2	Very high	98	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.2	-44.1	177.2	0	0	0	0	0	112	K213 S288 C289 A294 T301 A305	K213-A292 PolarHBondContact NZ-O 3.06Å; S288-A292 VanDerWaalsContact O-CB 3.32Å; S288-A292 WeakPolarHBondContact O-CB 3.45Å; S288-A292 PolarHBondContact O-N 2.93Å; C289-A292 PolarHBondContact O-N 3.18Å; A292-A294 PolarHBondContact O-N 2.91Å; A292-T301 HydrophobicContact CB-CG2 3.68Å; A292-T301 WeakPolarHBondContact O-CG2 2.97Å; A292-T301 PolarHBondContact O-OG1 3.14Å; A292-A305 HydrophobicContact CB-CB 4.1Å
293	L	98.4	Very high	98	Very high	60 Å²	60	44.6 Å²	44.6	31%	0.314	25%	0.247	S	C	.	.	H	α-helix	trans	-73.2	-25.7	-177.5	-69.8	173.8	0	0	0	113.4	D207 K209 C210 K213 C289 K290 N291 V295	D207-L293 HydrophobicContact CB-CD1 4.2Å; D207-L293 VanDerWaalsContact OD2-CD1 3.25Å; D207-L293 WeakPolarHBondContact OD2-CD1 3.42Å; K209-L293 HydrophobicContact CB-CD2 3.97Å; C210-L293 HydrophobicContact CB-CD1 4.22Å; C210-L293 HydrophobicContact CB-CG 4.28Å; K213-L293 HydrophobicContact CD-CD2 4.13Å; K213-L293 PolarHBondContact NZ-O 3.42Å; C289-L293 WeakPolarHBondContact O-CB 3.27Å; C289-L293 VanDerWaalsContact O-CG 3.28Å; C289-L293 WeakPolarHBondContact O-CG 3.36Å; C289-L293 PolarHBondContact O-N 2.7Å; K290-L293 PolarHBondContact O-N 2.84Å; N291-L293 VanDerWaalsContact C-N 3.34Å; N291-L293 PolarHBondContact O-N 3.13Å; L293-V295 VanDerWaalsContact C-N 3.26Å; L293-V295 PolarHBondContact O-N 3.38Å
294	A	97.9	Very high	98	Very high	86 Å²	86	44.3 Å²	44.3	71%	0.711	24%	0.244	S	C	*	.	H	α-helix	trans	-71.3	-15.5	179.8	0	0	0	0	0	114.7	K290 N291 A292	K290-A294 WeakPolarHBondContact O-CB 3.46Å; K290-A294 PolarHBondContact O-N 3Å; K290-A294 VanDerWaalsContact O-N 3.17Å; N291-A294 PolarHBondContact O-N 3.36Å; A292-A294 PolarHBondContact O-N 2.91Å
295	V	97.4	Very high	98.1	Very high	29 Å²	29	44.3 Å²	44.3	18%	0.176	24%	0.244	C	C	.	.			trans	-101	130.7	-174.4	179.8	0	0	0	0	111.1	K213 L293 D297 P300 E304	K213-V295 WeakPolarHBondContact CE-O 3.39Å; K213-V295 PolarHBondContact NZ-O 2.93Å; L293-V295 VanDerWaalsContact C-N 3.26Å; L293-V295 PolarHBondContact O-N 3.38Å; V295-D297 WeakPolarHBondContact CG1-O 3.45Å; V295-P300 HydrophobicContact CG1-CB 3.69Å; V295-E304 HydrophobicContact CG2-CB 4.04Å; V295-E304 HydrophobicContact CG2-CG 3.51Å
296	T	96.3	Very high	98	Very high	133 Å²	133	44.3 Å²	44.3	82%	0.816	24%	0.244	S	C	*	.	S	Bend	trans	-70	-47.1	-179.9	-52	0	0	0	0	112.8
297	D	97.7	Very high	98	Very high	109 Å²	109	41.2 Å²	41.2	58%	0.583	23%	0.23	S	C	*	.	S	Bend	trans	-79.2	144.7	-173.7	-61.2	-45.4	0	0	0	112.7	V295 P300 T301	V295-D297 WeakPolarHBondContact CG1-O 3.45Å; D297-P300 HydrophobicContact CB-CG 3.88Å; D297-T301 WeakPolarHBondContact O-CB 3.29Å; D297-T301 PolarHBondContact O-N 2.88Å; D297-T301 VanDerWaalsContact O-N 3.1Å; D297-T301 PolarHBondContact O-OG1 2.82Å
298	L	97.9	Very high	97.9	Very high	54 Å²	54	39.5 Å²	39.5	28%	0.283	22%	0.219	S	C	.	.	H	α-helix	trans	-71	-44	-173.7	-72.5	178.2	0	0	0	113.7	K213 N216 A217 L220 T301 L302	K213-L298 HydrophobicContact CG-CD2 3.87Å; N216-L298 HydrophobicContact CB-CD1 4.18Å; N216-L298 HydrophobicContact CB-CD2 4.06Å; A217-L298 HydrophobicContact CB-CB 4.09Å; A217-L298 HydrophobicContact CB-CD2 4.49Å; A217-L298 WeakPolarHBondContact CB-O 3.41Å; L220-L298 HydrophobicContact CB-CD1 4.29Å; L220-L298 HydrophobicContact CD2-CB 3.72Å; L220-L298 HydrophobicContact CD2-CD1 4.02Å; L220-L298 HydrophobicContact CD2-CG 4.46Å; L298-T301 WeakPolarHBondContact O-CB 3.25Å; L298-T301 PolarHBondContact O-N 3.12Å; L298-L302 PolarHBondContact O-N 2.67Å
299	I	98.3	Very high	97.9	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-45.7	-179.8	-55.7	-54.8	0	0	0	111.8	L220 A221 L224 L235 D238 L239 T301 L302 R303	L220-I299 HydrophobicContact CB-CD1 4.2Å; L220-I299 HydrophobicContact CD2-CD1 4Å; L220-I299 HydrophobicContact CD2-CG1 3.95Å; L220-I299 HydrophobicContact CG-CD1 4.02Å; L220-I299 HydrophobicContact CG-CG1 4.38Å; A221-I299 HydrophobicContact CB-CD1 4.02Å; L224-I299 HydrophobicContact CD1-CD1 4.21Å; L224-I299 HydrophobicContact CD1-CG1 3.95Å; L235-I299 HydrophobicContact CD2-CD1 3.73Å; L235-I299 HydrophobicContact CD2-CG1 4.04Å; L235-I299 HydrophobicContact CD2-CG2 3.97Å; D238-I299 HydrophobicContact CB-CB 3.88Å; D238-I299 HydrophobicContact CB-CG2 3.45Å; D238-I299 VanDerWaalsContact CB-CG2 3.45Å; L239-I299 HydrophobicContact CD2-CG2 3.79Å; L239-I299 HydrophobicContact CG-CG2 3.72Å; I299-T301 PolarHBondContact O-N 3.43Å; I299-L302 PolarHBondContact O-N 3.47Å; I299-L302 VanDerWaalsContact O-N 3.11Å; I299-R303 PolarHBondContact O-N 3.28Å
300	P	98.2	Very high	97.7	Very high	14 Å²	14	41.7 Å²	41.7	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-24.6	171.4	-26.9	38.6	0	0	0	113.8	D238 V295 D297 R303 E304	D238-P300 HydrophobicContact CB-CG 4.3Å; V295-P300 HydrophobicContact CG1-CB 3.69Å; D297-P300 HydrophobicContact CB-CG 3.88Å; P300-R303 WeakPolarHBondContact O-CB 3.46Å; P300-R303 PolarHBondContact O-N 2.04Å; P300-E304 PolarHBondContact O-N 3.38Å; P300-E304 VanDerWaalsContact O-N 3.07Å
301	T	97.6	Very high	97.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.1	-47.3	171.2	-67.1	0	0	0	0	111.6	K213 A292 D297 L298 I299 R303 E304 A305	K213-T301 HydrophobicContact CD-CG2 3.99Å; K213-T301 VanDerWaalsContact CE-OG1 3.29Å; K213-T301 WeakPolarHBondContact CE-OG1 3.31Å; K213-T301 HydrophobicContact CG-CG2 4.08Å; A292-T301 HydrophobicContact CB-CG2 3.68Å; A292-T301 WeakPolarHBondContact O-CG2 2.97Å; A292-T301 PolarHBondContact O-OG1 3.14Å; D297-T301 WeakPolarHBondContact O-CB 3.29Å; D297-T301 PolarHBondContact O-N 2.88Å; D297-T301 VanDerWaalsContact O-N 3.1Å; D297-T301 PolarHBondContact O-OG1 2.82Å; L298-T301 WeakPolarHBondContact O-CB 3.25Å; L298-T301 PolarHBondContact O-N 3.12Å; I299-T301 PolarHBondContact O-N 3.43Å; T301-R303 VanDerWaalsContact C-N 3.29Å; T301-R303 PolarHBondContact O-N 3.4Å; T301-E304 PolarHBondContact O-N 3.26Å; T301-A305 WeakPolarHBondContact O-CB 3.47Å; T301-A305 PolarHBondContact O-N 2.72Å
302	L	97.9	Very high	97.2	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-44.9	176.3	-74.9	170.3	0	0	0	110.8	I214 A217 F218 L239 F262 L298 I299 E304 A305 V306	I214-L302 HydrophobicContact CG2-CD2 4.21Å; A217-L302 HydrophobicContact CB-CD1 3.8Å; A217-L302 HydrophobicContact CB-CD2 4.11Å; A217-L302 HydrophobicContact CB-CG 3.55Å; F218-L302 HydrophobicContact CD2-CD2 3.93Å; F218-L302 HydrophobicContact CE2-CD2 3.74Å; F218-L302 HydrophobicContact CG-CD2 4.42Å; F218-L302 HydrophobicContact CZ-CD2 4.11Å; L239-L302 HydrophobicContact CD2-CB 3.98Å; F262-L302 HydrophobicContact CE2-CD2 3.98Å; F262-L302 HydrophobicContact CZ-CD2 3.93Å; L298-L302 PolarHBondContact O-N 2.67Å; I299-L302 PolarHBondContact O-N 3.47Å; I299-L302 VanDerWaalsContact O-N 3.11Å; L302-E304 PolarHBondContact O-N 3.03Å; L302-A305 PolarHBondContact O-N 3Å; L302-V306 WeakPolarHBondContact O-CG1 3.48Å; L302-V306 VanDerWaalsContact O-CG2 3.25Å; L302-V306 WeakPolarHBondContact O-CG2 2.98Å; L302-V306 PolarHBondContact O-N 3.24Å
303	R	97.8	Very high	96.8	Very high	46 Å²	46	38.5 Å²	38.5	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-57.1	-47.1	179.5	-174.6	-172.4	76.9	-157.1	-0.8	113.4	D238 L239 R240 I299 P300 T301 G307 F319	D238-R303 VanDerWaalsContact O-CD 3.32Å; D238-R303 WeakPolarHBondContact O-CD 3.47Å; D238-R303 PolarHBondContact O-NH1 3.17Å; L239-R303 HydrophobicContact CD2-CB 4.19Å; L239-R303 WeakPolarHBondContact O-CD 3.25Å; L239-R303 WeakPolarHBondContact O-CG 3.22Å; R240-R303 VanDerWaalsContact NE-CD 3.29Å; I299-R303 PolarHBondContact O-N 3.28Å; P300-R303 WeakPolarHBondContact O-CB 3.46Å; P300-R303 PolarHBondContact O-N 2.04Å; T301-R303 VanDerWaalsContact C-N 3.29Å; T301-R303 PolarHBondContact O-N 3.4Å; R303-G307 PolarHBondContact O-N 2.97Å; R303-F319 HydrophobicContact CG-CD2 4.27Å; R303-F319 HydrophobicContact CG-CE2 3.59Å; R303-F319 HydrophobicContact CG-CZ 4.42Å
304	E	97.8	Very high	96.4	Very high	51 Å²	51	44 Å²	44	24%	0.238	25%	0.253	C	S	.	.	H	α-helix	trans	-72.7	-31.8	-179.1	-62.5	-49.2	135.8	0	0	112.1	R240 N291 V295 P300 T301 L302	R240-E304 IonicContact NH2-OE1 2.8Å; R240-E304 PolarHBondContact NH2-OE1 3.41Å; N291-E304 HydrophobicContact CB-CB 4.18Å; V295-E304 HydrophobicContact CG2-CB 4.04Å; V295-E304 HydrophobicContact CG2-CG 3.51Å; P300-E304 PolarHBondContact O-N 3.38Å; P300-E304 VanDerWaalsContact O-N 3.07Å; T301-E304 PolarHBondContact O-N 3.26Å; L302-E304 PolarHBondContact O-N 3.03Å
305	A	98.3	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.5	-52.4	176.1	0	0	0	0	0	112	F262 M265 S288 A292 T301 L302 G307 V308	F262-A305 HydrophobicContact CE1-CB 3.77Å; F262-A305 HydrophobicContact CZ-CB 3.88Å; M265-A305 WeakPolarHBondContact CE-O 3.24Å; S288-A305 WeakPolarHBondContact OG-CA 3.12Å; S288-A305 WeakPolarHBondContact OG-CB 3.38Å; S288-A305 PolarHBondContact OG-O 3.02Å; A292-A305 HydrophobicContact CB-CB 4.1Å; T301-A305 WeakPolarHBondContact O-CB 3.47Å; T301-A305 PolarHBondContact O-N 2.72Å; L302-A305 PolarHBondContact O-N 3Å; A305-G307 PolarHBondContact O-N 2.84Å; A305-V308 PolarHBondContact O-N 3.45Å
306	V	98.1	Very high	96	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-68.3	-23.1	177.9	-54.9	0	0	0	0	112.2	W257 A258 A261 F262 L302 V308 F309 Y310	W257-V306 HydrophobicContact CH2-CB 4.48Å; W257-V306 HydrophobicContact CH2-CG2 3.5Å; W257-V306 VanDerWaalsContact CH2-CG2 3.5Å; W257-V306 HydrophobicContact CZ2-CG2 4.01Å; W257-V306 HydrophobicContact CZ3-CG2 4.11Å; A258-V306 HydrophobicContact CB-CG1 4.13Å; A261-V306 HydrophobicContact CB-CB 3.72Å; A261-V306 HydrophobicContact CB-CG1 3.84Å; F262-V306 HydrophobicContact CD2-CG1 4.47Å; F262-V306 HydrophobicContact CE2-CG1 3.78Å; F262-V306 HydrophobicContact CZ-CG1 3.95Å; L302-V306 WeakPolarHBondContact O-CG1 3.48Å; L302-V306 VanDerWaalsContact O-CG2 3.25Å; L302-V306 WeakPolarHBondContact O-CG2 2.98Å; L302-V306 PolarHBondContact O-N 3.24Å; V306-V308 PolarHBondContact O-N 3.48Å; V306-F309 PolarHBondContact O-N 3.25Å; V306-F309 VanDerWaalsContact O-N 3.13Å; V306-Y310 HydrophobicContact CB-CD2 4.29Å; V306-Y310 PolarHBondContact O-N 3.08Å
307	G	97.6	Very high	95.9	Very high	9 Å²	9	44.7 Å²	44.7	9%	0.093	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-24.7	176.4	0	0	0	0	0	114	R303 A305 F309 N311 S312	R303-G307 PolarHBondContact O-N 2.97Å; A305-G307 PolarHBondContact O-N 2.84Å; G307-F309 VanDerWaalsContact C-N 3.27Å; G307-F309 PolarHBondContact O-N 3.2Å; G307-N311 CarbonylContact O-C 3.58Å; G307-N311 VanDerWaalsContact O-CA 3.23Å; G307-N311 WeakPolarHBondContact O-CA 3.31Å; G307-N311 WeakPolarHBondContact O-CB 3.45Å; G307-N311 PolarHBondContact O-N 2.95Å; G307-S312 PolarHBondContact O-N 3.2Å
308	V	97.6	Very high	95.9	Very high	10 Å²	10	41.2 Å²	41.2	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-37.4	174.9	176.1	0	0	0	0	111.4	M265 L280 P281 P284 V287 N291 A305 V306	M265-V308 HydrophobicContact SD-CB 3.61Å; M265-V308 HydrophobicContact SD-CG1 3.7Å; L280-V308 HydrophobicContact CD2-CG1 4.3Å; P281-V308 HydrophobicContact CG-CG1 4.04Å; P284-V308 HydrophobicContact CB-CG1 4.25Å; V287-V308 HydrophobicContact CB-CG1 4.48Å; V287-V308 HydrophobicContact CG1-CG1 4.35Å; V287-V308 HydrophobicContact CG1-CG2 3.99Å; N291-V308 WeakPolarHBondContact ND2-CG2 3.5Å; A305-V308 PolarHBondContact O-N 3.45Å; V306-V308 PolarHBondContact O-N 3.48Å
309	F	97.1	Very high	96	Very high	26 Å²	26	38.7 Å²	38.7	11%	0.114	22%	0.222	C	C	.	.	H	α-helix	trans	-85.1	-54.2	176.7	-178	-114.9	0	0	0	112	A261 M264 M265 A278 L280 V306 G307	A261-F309 HydrophobicContact CB-CB 4.15Å; A261-F309 HydrophobicContact CB-CD1 4.13Å; M264-F309 HydrophobicContact CB-CD1 4.37Å; M264-F309 HydrophobicContact CB-CD2 3.88Å; M264-F309 HydrophobicContact CB-CE1 4.05Å; M264-F309 HydrophobicContact CB-CE2 3.53Å; M264-F309 HydrophobicContact CB-CG 4.3Å; M264-F309 HydrophobicContact CB-CZ 3.64Å; M264-F309 HydrophobicContact CE-CE2 4.2Å; M264-F309 HydrophobicContact CE-CZ 4.03Å; M264-F309 HydrophobicContact CG-CE1 3.9Å; M264-F309 HydrophobicContact CG-CE2 4Å; M264-F309 HydrophobicContact CG-CZ 3.57Å; M265-F309 HydrophobicContact CE-CB 4.37Å; M265-F309 HydrophobicContact CG-CB 4.07Å; M265-F309 HydrophobicContact SD-CB 4.28Å; A278-F309 HydrophobicContact CB-CD2 3.73Å; A278-F309 HydrophobicContact CB-CE2 3.46Å; A278-F309 VanDerWaalsContact CB-CE2 3.46Å; A278-F309 HydrophobicContact CB-CZ 4.41Å; L280-F309 HydrophobicContact CD2-CD2 4.22Å; V306-F309 PolarHBondContact O-N 3.25Å; V306-F309 VanDerWaalsContact O-N 3.13Å; G307-F309 VanDerWaalsContact C-N 3.27Å; G307-F309 PolarHBondContact O-N 3.2Å
310	Y	95.8	Very high	95.9	Very high	24 Å²	24	40.6 Å²	40.6	9%	0.094	23%	0.232	C	C	.	.	H	α-helix	trans	-84.6	-16.6	-170.6	-69.4	-52.9	0	0	0	115.1	W257 N260 A261 V306 L316 Q324	W257-Y310 AromaticContact CD1-CE2 3.41Å; W257-Y310 VanDerWaalsContact CD1-CE2 3.41Å; W257-Y310 AromaticContact CD1-CZ 3.47Å; W257-Y310 VanDerWaalsContact CD1-CZ 3.47Å; W257-Y310 HydrophobicContact CD2-CE2 4.03Å; W257-Y310 AromaticContact CE2-CD2 3.52Å; W257-Y310 AromaticContact CE2-CE2 3.39Å; W257-Y310 HydrophobicContact CG-CE2 4.04Å; W257-Y310 AromaticContact CZ2-CD2 3.55Å; W257-Y310 HydrophobicContact CZ2-CD2 3.55Å; W257-Y310 AromaticContact CZ2-CE2 3.91Å; W257-Y310 HydrophobicContact CZ2-CE2 3.91Å; W257-Y310 HydrophobicContact CZ2-CG 4.39Å; W257-Y310 AromaticContact NE1-CD2 3.33Å; W257-Y310 VanDerWaalsContact NE1-CD2 3.33Å; W257-Y310 AromaticContact NE1-CE2 2.99Å; W257-Y310 AromaticContact NE1-CG 3.94Å; W257-Y310 AromaticContact NE1-CZ 3.4Å; W257-Y310 PolarHBondContact O-OH 3.25Å; N260-Y310 PolarHBondContact OD1-OH 2.55Å; A261-Y310 HydrophobicContact CB-CD2 3.99Å; A261-Y310 HydrophobicContact CB-CE2 3.59Å; V306-Y310 HydrophobicContact CB-CD2 4.29Å; V306-Y310 PolarHBondContact O-N 3.08Å; Y310-L316 WeakPolarHBondContact O-CD1 3.4Å; Y310-Q324 HydrophobicContact CD1-CB 3.82Å; Y310-Q324 HydrophobicContact CD1-CG 4Å; Y310-Q324 HydrophobicContact CE1-CB 3.65Å; Y310-Q324 HydrophobicContact CE1-CG 4.34Å
311	N	95.5	Very high	95.8	Very high	16 Å²	16	39.9 Å²	39.9	9%	0.086	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	46.8	-177.4	-171.9	23.1	0	0	0	111.3	G307 S313 Q314 S315 L316 F319	G307-N311 CarbonylContact O-C 3.58Å; G307-N311 VanDerWaalsContact O-CA 3.23Å; G307-N311 WeakPolarHBondContact O-CA 3.31Å; G307-N311 WeakPolarHBondContact O-CB 3.45Å; G307-N311 PolarHBondContact O-N 2.95Å; N311-S313 PolarHBondContact O-N 3.32Å; N311-Q314 WeakPolarHBondContact O-CA 3.49Å; N311-Q314 PolarHBondContact O-N 2.84Å; N311-Q314 WeakPolarHBondContact OD1-CA 3.42Å; N311-Q314 PolarHBondContact OD1-N 3.3Å; N311-S315 PolarHBondContact OD1-N 2.91Å; N311-S315 VanDerWaalsContact OD1-N 3.11Å; N311-L316 HydrophobicContact CB-CB 4.34Å; N311-L316 HydrophobicContact CB-CD1 4.05Å; N311-L316 HydrophobicContact CB-CG 4.36Å; N311-L316 VanDerWaalsContact OD1-CB 3.3Å; N311-L316 WeakPolarHBondContact OD1-CB 3.44Å; N311-L316 WeakPolarHBondContact OD1-CG 3.28Å; N311-L316 PolarHBondContact OD1-N 3.44Å; N311-F319 HydrophobicContact CB-CE1 3.64Å; N311-F319 HydrophobicContact CB-CZ 3.87Å
312	S	90.2	Very high	95.6	Very high	56 Å²	56	43 Å²	43	39%	0.392	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26	-179.2	59.5	0	0	0	0	113.8	S279 G307 Q314	S279-S312 WeakPolarHBondContact O-CB 3.45Å; S279-S312 PolarHBondContact O-OG 3.39Å; G307-S312 PolarHBondContact O-N 3.2Å; S312-Q314 VanDerWaalsContact C-N 3.25Å; S312-Q314 PolarHBondContact O-N 3.46Å
313	S	89.2	Confident	95.3	Very high	76 Å²	76	45.7 Å²	45.7	53%	0.531	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.8	172	64.7	0	0	0	0	114	N311 S315	N311-S313 PolarHBondContact O-N 3.32Å; S313-S315 PolarHBondContact O-N 3.28Å; S313-S315 PolarHBondContact OG-N 3.47Å; S313-S315 PolarHBondContact OG-OG 2.96Å
314	Q	89.5	Confident	95.1	Very high	176 Å²	176	45.7 Å²	45.7	82%	0.822	26%	0.26	S	S	*	.	S	Bend	trans	54.1	21.4	-173.2	-62	176.1	67.4	0	0	113.9	N311 S312	N311-Q314 WeakPolarHBondContact O-CA 3.49Å; N311-Q314 PolarHBondContact O-N 2.84Å; N311-Q314 WeakPolarHBondContact OD1-CA 3.42Å; N311-Q314 PolarHBondContact OD1-N 3.3Å; S312-Q314 VanDerWaalsContact C-N 3.25Å; S312-Q314 PolarHBondContact O-N 3.46Å
315	S	93	Very high	94.9	Very high	88 Å²	88	43.6 Å²	43.6	62%	0.615	25%	0.25	S	S	*	.			trans	-108.8	-8.8	-174.1	69.5	0	0	0	0	113.5	N311 S313	N311-S315 PolarHBondContact OD1-N 2.91Å; N311-S315 VanDerWaalsContact OD1-N 3.11Å; S313-S315 PolarHBondContact O-N 3.28Å; S313-S315 PolarHBondContact OG-N 3.47Å; S313-S315 PolarHBondContact OG-OG 2.96Å
316	L	93.9	Very high	94.8	Very high	62 Å²	62	46 Å²	46	33%	0.325	26%	0.262	S	S	.	.			trans	-72.7	127.2	-179.5	-63	-177.9	0	0	0	110.9	Y310 N311 C318	Y310-L316 WeakPolarHBondContact O-CD1 3.4Å; N311-L316 HydrophobicContact CB-CB 4.34Å; N311-L316 HydrophobicContact CB-CD1 4.05Å; N311-L316 HydrophobicContact CB-CG 4.36Å; N311-L316 VanDerWaalsContact OD1-CB 3.3Å; N311-L316 WeakPolarHBondContact OD1-CB 3.44Å; N311-L316 WeakPolarHBondContact OD1-CG 3.28Å; N311-L316 PolarHBondContact OD1-N 3.44Å; L316-C318 VanDerWaalsContact C-N 3.31Å
317	P	95.6	Very high	94.6	Very high	111 Å²	111	48.4 Å²	48.4	72%	0.721	27%	0.274	S	S	*	.	S	Bend	trans	-74	-24.5	176.3	30	-34.6	0	0	0	112.6
318	C	97.9	Very high	94.5	Very high	37 Å²	37	48.2 Å²	48.2	25%	0.25	27%	0.271	C	S	.	.	S	Bend	trans	-154.6	164.6	-179.3	61.3	0	0	0	0	110.9	R240 C242 L316	R240-C318 CarbonylContact O-C 3.4Å; R240-C318 WeakPolarHBondContact O-CA 3.32Å; R240-C318 WeakPolarHBondContact O-CB 3.5Å; C242-C318 WeakPolarHBondContact CA-SG 3.35Å; C242-C318 HydrophobicContact CB-CB 3.97Å; C242-C318 WeakPolarHBondContact CB-SG 3.38Å; C242-C318 WeakPolarHBondContact SG-CB 3.45Å; C242-C318 PolarHBondContact SG-O 3.02Å; C242-C318 CovalentContact SG-SG 2.04Å; C242-C318 PolarHBondContact SG-SG 2.79Å; L316-C318 VanDerWaalsContact C-N 3.31Å
319	F	98.1	Very high	94.5	Very high	1 Å²	1	47.9 Å²	47.9	0%	0.004	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-101.1	126.5	176	-65.3	-85.3	0	0	0	111.6	L239 R240 L241 C242 W257 R303 N311 Y321	L239-F319 WeakPolarHBondContact O-CD2 3.28Å; R240-F319 PolarHBondContact O-N 3.31Å; L241-F319 WeakPolarHBondContact CA-O 3.46Å; L241-F319 HydrophobicContact CD2-CB 4.36Å; C242-F319 PolarHBondContact N-O 3.32Å; W257-F319 HydrophobicContact CH2-CB 3.92Å; W257-F319 HydrophobicContact CH2-CD1 4.24Å; W257-F319 HydrophobicContact CH2-CD2 4.42Å; W257-F319 AromaticContact CH2-CG 3.94Å; W257-F319 HydrophobicContact CH2-CG 3.94Å; W257-F319 HydrophobicContact CZ2-CB 3.58Å; W257-F319 AromaticContact CZ2-CD1 3.71Å; W257-F319 HydrophobicContact CZ2-CD1 3.71Å; W257-F319 AromaticContact CZ2-CG 3.73Å; W257-F319 HydrophobicContact CZ2-CG 3.73Å; R303-F319 HydrophobicContact CG-CD2 4.27Å; R303-F319 HydrophobicContact CG-CE2 3.59Å; R303-F319 HydrophobicContact CG-CZ 4.42Å; N311-F319 HydrophobicContact CB-CE1 3.64Å; N311-F319 HydrophobicContact CB-CZ 3.87Å; F319-Y321 PolarHBondContact O-N 2.6Å
320	D	96.5	Very high	94.5	Very high	41 Å²	41	46.9 Å²	46.9	22%	0.219	27%	0.265	C	S	.	.			trans	-94.8	76.8	175	-172	9.9	0	0	0	110.6	C242 K322 T323 Q324	C242-D320 HydrophobicContact CB-CB 4.39Å; D320-K322 PolarHBondContact O-N 3.16Å; D320-T323 WeakPolarHBondContact CB-OG1 3.39Å; D320-T323 PolarHBondContact O-N 3.35Å; D320-T323 PolarHBondContact O-OG1 3.41Å; D320-T323 WeakPolarHBondContact OD2-CG2 3.18Å; D320-T323 PolarHBondContact OD2-OG1 3.06Å; D320-Q324 WeakPolarHBondContact O-CB 3.37Å; D320-Q324 VanDerWaalsContact O-CG 3.3Å; D320-Q324 WeakPolarHBondContact O-CG 3.4Å; D320-Q324 PolarHBondContact O-N 3.17Å
321	Y	95.9	Very high	94.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-21.4	-175.3	75.1	-88	0	0	0	114.3	L241 K243 E250 W253 V254 F319 F325	L241-Y321 HydrophobicContact CB-CD1 4.37Å; L241-Y321 HydrophobicContact CD1-CD1 4.02Å; L241-Y321 HydrophobicContact CD1-CE1 4.12Å; L241-Y321 HydrophobicContact CD2-CD1 4.17Å; L241-Y321 HydrophobicContact CG-CD1 4.41Å; K243-Y321 WeakPolarHBondContact O-CE1 3.34Å; E250-Y321 WeakPolarHBondContact CB-OH 3.46Å; E250-Y321 PolarHBondContact OE2-OH 2.96Å; E250-Y321 VanDerWaalsContact OE2-OH 3.12Å; W253-Y321 HydrophobicContact CB-CD2 4.4Å; W253-Y321 HydrophobicContact CB-CE2 4.12Å; W253-Y321 AromaticContact CD1-CD2 3.63Å; W253-Y321 HydrophobicContact CG-CD2 4.23Å; W253-Y321 HydrophobicContact CG-CE2 4.18Å; W253-Y321 PolarHBondContact NE1-O 2.76Å; V254-Y321 HydrophobicContact CG2-CD1 4.02Å; V254-Y321 HydrophobicContact CG2-CD2 3.55Å; V254-Y321 HydrophobicContact CG2-CE1 4.09Å; V254-Y321 HydrophobicContact CG2-CE2 3.66Å; V254-Y321 HydrophobicContact CG2-CG 3.74Å; F319-Y321 PolarHBondContact O-N 2.6Å; Y321-F325 PolarHBondContact O-N 3.25Å
322	K	93.4	Very high	94.6	Very high	65 Å²	65	46 Å²	46	28%	0.283	26%	0.262	S	S	.	.	H	α-helix	trans	-79.8	-24.3	179.9	-64.3	-169.9	179.6	-172.1	0	113.6	K243 E250 D320 I326	K243-K322 HydrophobicContact CD-CD 4.38Å; E250-K322 VanDerWaalsContact CD-NZ 3.32Å; E250-K322 IonicContact OE1-NZ 3.3Å; E250-K322 PolarHBondContact OE1-NZ 3.22Å; E250-K322 IonicContact OE2-NZ 3.73Å; D320-K322 PolarHBondContact O-N 3.16Å; K322-I326 VanDerWaalsContact O-CD1 3.3Å; K322-I326 WeakPolarHBondContact O-CD1 3.44Å
323	T	92.6	Very high	94.7	Very high	64 Å²	64	44 Å²	44	39%	0.393	25%	0.25	S	S	.	.	H	α-helix	trans	-105.6	-29.3	178.8	58.5	0	0	0	0	111.6	D320 F325 L336	D320-T323 WeakPolarHBondContact CB-OG1 3.39Å; D320-T323 PolarHBondContact O-N 3.35Å; D320-T323 PolarHBondContact O-OG1 3.41Å; D320-T323 WeakPolarHBondContact OD2-CG2 3.18Å; D320-T323 PolarHBondContact OD2-OG1 3.06Å; T323-F325 VanDerWaalsContact C-N 3.34Å; T323-L336 WeakPolarHBondContact O-CD1 3.33Å
324	Q	93	Very high	94.8	Very high	46 Å²	46	41.5 Å²	41.5	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-71.3	-27.1	177	-73.5	177.9	-25.2	0	0	113.4	Y310 D320	Y310-Q324 HydrophobicContact CD1-CB 3.82Å; Y310-Q324 HydrophobicContact CD1-CG 4Å; Y310-Q324 HydrophobicContact CE1-CB 3.65Å; Y310-Q324 HydrophobicContact CE1-CG 4.34Å; D320-Q324 WeakPolarHBondContact O-CB 3.37Å; D320-Q324 VanDerWaalsContact O-CG 3.3Å; D320-Q324 WeakPolarHBondContact O-CG 3.4Å; D320-Q324 PolarHBondContact O-N 3.17Å
325	F	94.9	Very high	94.7	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.031	21%	0.208	C	C	.	.			trans	-133.6	129	174.9	175.4	-97.6	0	0	0	110.4	W253 K256 W257 N260 Y321 T323 E327	W253-F325 AromaticContact NE1-CD1 3.74Å; W253-F325 PolarHBondContact NE1-O 3.48Å; K256-F325 HydrophobicContact CB-CD1 4.07Å; K256-F325 HydrophobicContact CB-CE1 3.41Å; K256-F325 VanDerWaalsContact CB-CE1 3.41Å; K256-F325 HydrophobicContact CB-CZ 3.71Å; K256-F325 HydrophobicContact CD-CE1 4.18Å; K256-F325 HydrophobicContact CG-CE1 4.4Å; W257-F325 HydrophobicContact CB-CB 3.79Å; W257-F325 HydrophobicContact CB-CD1 4.46Å; W257-F325 HydrophobicContact CB-CG 4.25Å; W257-F325 HydrophobicContact CG-CB 4.21Å; N260-F325 HydrophobicContact CB-CD2 3.43Å; N260-F325 VanDerWaalsContact CB-CD2 3.43Å; N260-F325 HydrophobicContact CB-CE2 3.74Å; N260-F325 HydrophobicContact CB-CG 4.42Å; Y321-F325 PolarHBondContact O-N 3.25Å; T323-F325 VanDerWaalsContact C-N 3.34Å; F325-E327 HydrophobicContact CE1-CB 4.06Å
326	I	95	Very high	94.3	Very high	49 Å²	49	36.1 Å²	36.1	25%	0.251	21%	0.209	S	C	.	.			trans	-119.3	113.9	177.9	-55.1	-61	0	0	0	108.5	K322 C334 G335 L336	K322-I326 VanDerWaalsContact O-CD1 3.3Å; K322-I326 WeakPolarHBondContact O-CD1 3.44Å; I326-C334 PolarHBondContact O-N 3.3Å; I326-G335 WeakPolarHBondContact CG1-O 3.28Å; I326-L336 HydrophobicContact CD1-CD2 3.93Å; I326-L336 HydrophobicContact CG1-CD2 3.73Å; I326-L336 HydrophobicContact CG1-CG 4.38Å
327	E	93.6	Very high	94.2	Very high	53 Å²	53	35.6 Å²	35.6	25%	0.248	22%	0.219	C	C	.	.			trans	-67.1	137.5	171.7	-178.1	169.9	-172.8	0	0	110.7	W253 K256 F325	W253-E327 HydrophobicContact CH2-CB 4.06Å; W253-E327 HydrophobicContact CZ2-CB 4.43Å; W253-E327 HydrophobicContact CZ3-CB 4.18Å; K256-E327 IonicContact NZ-OE1 3.66Å; K256-E327 PolarHBondContact NZ-OE1 2.99Å; K256-E327 IonicContact NZ-OE2 3.64Å; K256-E327 PolarHBondContact NZ-OE2 3.49Å; F325-E327 HydrophobicContact CE1-CB 4.06Å
328	C	96.3	Very high	94.2	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.034	20%	0.2	C	C	.	.			trans	-152.1	-166.8	-177.5	67.1	0	0	0	0	109.6	D330 G333 C334 D344	C328-D330 PolarHBondContact O-N 3.4Å; C328-D330 PolarHBondContact SG-N 3.03Å; C328-G333 VanDerWaalsContact SG-C 3.58Å; C328-C334 HydrophobicContact CB-CB 3.75Å; C328-C334 WeakPolarHBondContact CB-SG 3.44Å; C328-C334 WeakPolarHBondContact SG-CB 3.23Å; C328-C334 PolarHBondContact SG-N 3.13Å; C328-C334 CovalentContact SG-SG 2.02Å; C328-C334 PolarHBondContact SG-SG 2.71Å; C328-D344 HydrophobicContact CB-CB 4.16Å; C328-D344 VanDerWaalsContact CB-OD1 3.28Å; C328-D344 WeakPolarHBondContact CB-OD1 3.37Å
329	A	97.9	Very high	94.1	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	20%	0.199	C	C	.	.	S	Bend	trans	-69.8	-16	177.2	0	0	0	0	0	114.6	D344 C348 V375 Y378	A329-D344 PolarHBondContact N-OD1 2.85Å; A329-C348 HydrophobicContact CB-CB 4.48Å; A329-C348 WeakPolarHBondContact CB-SG 3.5Å; A329-V375 HydrophobicContact CB-CG1 4.11Å; A329-Y378 HydrophobicContact CB-CD1 4.14Å; A329-Y378 HydrophobicContact CB-CE1 4.12Å
330	D	97.4	Very high	93.9	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.027	20%	0.204	C	C	.	.	S	Bend	trans	-85.4	122.3	168	-176.3	-21.8	0	0	0	110.4	C328 T332 G333 W343 L353	C328-D330 PolarHBondContact O-N 3.4Å; C328-D330 PolarHBondContact SG-N 3.03Å; D330-T332 VanDerWaalsContact CG-OG1 3.25Å; D330-T332 PolarHBondContact O-N 3.07Å; D330-T332 VanDerWaalsContact O-N 3.13Å; D330-T332 WeakPolarHBondContact OD1-CA 3.36Å; D330-T332 WeakPolarHBondContact OD1-CB 3.49Å; D330-T332 PolarHBondContact OD1-N 3.43Å; D330-T332 PolarHBondContact OD1-OG1 2.94Å; D330-T332 PolarHBondContact OD2-OG1 3.01Å; D330-G333 PolarHBondContact O-N 3.13Å; D330-W343 PolarHBondContact OD2-NE1 2.85Å; D330-L353 HydrophobicContact CB-CB 4.22Å; D330-L353 HydrophobicContact CB-CD1 3.98Å
331	I	96.7	Very high	94	Very high	8 Å²	8	34 Å²	34	4%	0.041	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.4	179.7	-166.2	170.4	0	0	0	114.1	F192 F196 R259 L353 D355 L370	F192-I331 HydrophobicContact CD1-CG2 4.28Å; F192-I331 HydrophobicContact CE1-CG2 3.47Å; F192-I331 VanDerWaalsContact CE1-CG2 3.47Å; F192-I331 HydrophobicContact CZ-CG2 3.94Å; F196-I331 HydrophobicContact CE2-CD1 3.9Å; F196-I331 HydrophobicContact CE2-CG1 4.46Å; F196-I331 HydrophobicContact CE2-CG2 4.35Å; F196-I331 HydrophobicContact CZ-CD1 4.03Å; F196-I331 HydrophobicContact CZ-CG1 4.09Å; F196-I331 HydrophobicContact CZ-CG2 3.99Å; R259-I331 VanDerWaalsContact NH2-CG1 3.33Å; R259-I331 PolarHBondContact NH2-O 3.19Å; R259-I331 VanDerWaalsContact NH2-O 3.08Å; I331-L353 WeakPolarHBondContact CB-O 3.34Å; I331-L353 WeakPolarHBondContact CG2-O 3.46Å; I331-L353 PolarHBondContact N-O 2.89Å; I331-D355 HydrophobicContact CD1-CB 3.46Å; I331-D355 VanDerWaalsContact CD1-CB 3.46Å; I331-L370 HydrophobicContact CB-CB 4.4Å; I331-L370 HydrophobicContact CB-CD2 3.96Å; I331-L370 HydrophobicContact CD1-CB 3.87Å; I331-L370 HydrophobicContact CG1-CB 4.01Å; I331-L370 HydrophobicContact CG1-CD2 4.35Å
332	T	95.1	Very high	94.1	Very high	14 Å²	14	34 Å²	34	9%	0.086	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-11.3	176.8	74.5	0	0	0	0	113	F195 N260 V263 D330 W417	F195-T332 HydrophobicContact CD1-CG2 4.28Å; F195-T332 HydrophobicContact CE1-CG2 3.49Å; F195-T332 VanDerWaalsContact CE1-CG2 3.49Å; F195-T332 HydrophobicContact CZ-CG2 3.72Å; N260-T332 PolarHBondContact ND2-O 2.75Å; V263-T332 HydrophobicContact CG1-CG2 4.48Å; D330-T332 VanDerWaalsContact CG-OG1 3.25Å; D330-T332 PolarHBondContact O-N 3.07Å; D330-T332 VanDerWaalsContact O-N 3.13Å; D330-T332 WeakPolarHBondContact OD1-CA 3.36Å; D330-T332 WeakPolarHBondContact OD1-CB 3.49Å; D330-T332 PolarHBondContact OD1-N 3.43Å; D330-T332 PolarHBondContact OD1-OG1 2.94Å; D330-T332 PolarHBondContact OD2-OG1 3.01Å; T332-W417 HydrophobicContact CG2-CZ2 4.36Å
333	G	94.4	Very high	94.3	Very high	14 Å²	14	32.4 Å²	32.4	14%	0.144	20%	0.198	C	C	.	.			trans	92.3	156.8	178.6	0	0	0	0	0	114.2	C328 D330	C328-G333 VanDerWaalsContact SG-C 3.58Å; D330-G333 PolarHBondContact O-N 3.13Å
334	C	90.6	Very high	94.6	Very high	23 Å²	23	29.6 Å²	29.6	16%	0.155	18%	0.181	C	C	.	.			trans	-108.4	-18.7	-172.7	-65	0	0	0	0	114.4	I326 C328 S340 W343	I326-C334 PolarHBondContact O-N 3.3Å; C328-C334 HydrophobicContact CB-CB 3.75Å; C328-C334 WeakPolarHBondContact CB-SG 3.44Å; C328-C334 WeakPolarHBondContact SG-CB 3.23Å; C328-C334 PolarHBondContact SG-N 3.13Å; C328-C334 CovalentContact SG-SG 2.02Å; C328-C334 PolarHBondContact SG-SG 2.71Å; C334-S340 WeakPolarHBondContact O-CB 3.46Å; C334-W343 VanDerWaalsContact SG-CD1 3.57Å
335	G	86.1	Confident	94.8	Very high	30 Å²	30	27.7 Å²	27.7	31%	0.309	17%	0.172	S	C	.	.			trans	77	-154	-175.5	0	0	0	0	0	114.4	I326 S340	I326-G335 WeakPolarHBondContact CG1-O 3.28Å; G335-S340 WeakPolarHBondContact O-CB 3.28Å; G335-S340 PolarHBondContact O-OG 3.46Å; G335-S340 VanDerWaalsContact O-OG 3.07Å
336	L	85.6	Confident	95	Very high	122 Å²	122	27.4 Å²	27.4	64%	0.639	17%	0.171	S	C	*	.	S	Bend	trans	-114.8	158.9	-171.3	-64.8	173	0	0	0	112.4	T323 I326 S340	T323-L336 WeakPolarHBondContact O-CD1 3.33Å; I326-L336 HydrophobicContact CD1-CD2 3.93Å; I326-L336 HydrophobicContact CG1-CD2 3.73Å; I326-L336 HydrophobicContact CG1-CG 4.38Å; L336-S340 VanDerWaalsContact C-OG 3.29Å
337	G	91.7	Very high	95.1	Very high	51 Å²	51	25.1 Å²	25.1	53%	0.526	16%	0.159	S	C	.	.	S	Bend	trans	96.8	-170.6	171.9	0	0	0	0	0	113.9	S340	G337-S340 PolarHBondContact O-OG 2.74Å
338	S	94.6	Very high	95.3	Very high	47 Å²	47	22.6 Å²	22.6	33%	0.329	15%	0.147	S	C	.	.	H	α-helix	trans	-69.8	-38.9	-180	46.2	0	0	0	0	112.6	F115 S340 L341 A342	F115-S338 VanDerWaalsContact CE2-CB 3.45Å; S338-S340 VanDerWaalsContact C-N 3.26Å; S338-S340 PolarHBondContact O-N 3.37Å; S338-L341 WeakPolarHBondContact O-CB 3.44Å; S338-L341 PolarHBondContact O-N 2.97Å; S338-A342 PolarHBondContact O-N 3.06Å; S338-A342 VanDerWaalsContact O-N 3.08Å
339	D	95.9	Very high	95.4	Very high	44 Å²	44	23.7 Å²	23.7	24%	0.235	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-36.6	-179	-63.7	-19.2	0	0	0	110.6	G74 G75 Y105 G106 L341 A342 W343	G74-D339 WeakPolarHBondContact CA-OD2 3.45Å; G75-D339 PolarHBondContact N-OD2 2.9Å; Y105-D339 HydrophobicContact CD1-CB 3.86Å; Y105-D339 HydrophobicContact CE1-CB 4.29Å; Y105-D339 WeakPolarHBondContact CE1-O 3.34Å; G106-D339 PolarHBondContact N-OD1 3.38Å; D339-L341 VanDerWaalsContact C-N 3.32Å; D339-L341 PolarHBondContact O-N 3.39Å; D339-A342 WeakPolarHBondContact O-CB 3.43Å; D339-A342 PolarHBondContact O-N 3.4Å; D339-W343 PolarHBondContact O-N 3.43Å
340	S	95.7	Very high	95.3	Very high	14 Å²	14	23.7 Å²	23.7	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-67.9	-29.9	174.8	76.4	0	0	0	0	113.6	C334 G335 L336 G337 S338 D344	C334-S340 WeakPolarHBondContact O-CB 3.46Å; G335-S340 WeakPolarHBondContact O-CB 3.28Å; G335-S340 PolarHBondContact O-OG 3.46Å; G335-S340 VanDerWaalsContact O-OG 3.07Å; L336-S340 VanDerWaalsContact C-OG 3.29Å; G337-S340 PolarHBondContact O-OG 2.74Å; S338-S340 VanDerWaalsContact C-N 3.26Å; S338-S340 PolarHBondContact O-N 3.37Å; S340-D344 VanDerWaalsContact O-CB 3.27Å; S340-D344 WeakPolarHBondContact O-CB 3.25Å; S340-D344 PolarHBondContact O-N 2.77Å
341	L	97.5	Very high	95.3	Very high	51 Å²	51	23.6 Å²	23.6	27%	0.267	15%	0.153	S	C	.	.	H	α-helix	trans	-70.6	-37.5	173.4	-64.3	178.5	0	0	0	111.9	F115 S338 D339 F345 R382 W383	F115-L341 HydrophobicContact CB-CB 4.37Å; F115-L341 HydrophobicContact CB-CD1 3.99Å; F115-L341 HydrophobicContact CD1-CB 3.81Å; F115-L341 HydrophobicContact CD2-CD1 4.11Å; F115-L341 HydrophobicContact CE1-CB 4.3Å; F115-L341 HydrophobicContact CG-CB 4.02Å; F115-L341 HydrophobicContact CG-CD1 3.96Å; S338-L341 WeakPolarHBondContact O-CB 3.44Å; S338-L341 PolarHBondContact O-N 2.97Å; D339-L341 VanDerWaalsContact C-N 3.32Å; D339-L341 PolarHBondContact O-N 3.39Å; L341-F345 WeakPolarHBondContact O-CB 3.18Å; L341-F345 PolarHBondContact O-N 3.12Å; L341-F345 VanDerWaalsContact O-N 3.13Å; L341-R382 VanDerWaalsContact CD2-NH2 3.35Å; L341-W383 HydrophobicContact CB-CH2 4.2Å; L341-W383 HydrophobicContact CD2-CH2 4.21Å; L341-W383 HydrophobicContact CD2-CZ2 4.35Å
342	A	98.1	Very high	95.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-48.1	173.5	0	0	0	0	0	110.9	Y105 F115 L123 S338 D339 D344 F345 Q346	Y105-A342 HydrophobicContact CD1-CB 3.92Å; Y105-A342 HydrophobicContact CD2-CB 4.32Å; Y105-A342 HydrophobicContact CE1-CB 3.44Å; Y105-A342 VanDerWaalsContact CE1-CB 3.44Å; Y105-A342 HydrophobicContact CE2-CB 3.9Å; Y105-A342 HydrophobicContact CG-CB 4.36Å; Y105-A342 VanDerWaalsContact CZ-CB 3.44Å; F115-A342 HydrophobicContact CE1-CB 4.03Å; L123-A342 HydrophobicContact CD2-CB 3.71Å; L123-A342 WeakPolarHBondContact CD2-O 3.33Å; S338-A342 PolarHBondContact O-N 3.06Å; S338-A342 VanDerWaalsContact O-N 3.08Å; D339-A342 WeakPolarHBondContact O-CB 3.43Å; D339-A342 PolarHBondContact O-N 3.4Å; A342-D344 PolarHBondContact O-N 3.31Å; A342-F345 PolarHBondContact O-N 2.99Å; A342-Q346 PolarHBondContact O-N 3.14Å
343	W	97.8	Very high	95.5	Very high	31 Å²	31	22.9 Å²	22.9	12%	0.117	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-44.7	179.6	-173.6	-113.6	0	0	0	112.3	E73 Y105 Y157 D330 C334 D339 F345 Q346 S347 M351 L353	E73-W343 HydrophobicContact CB-CD2 4.45Å; E73-W343 HydrophobicContact CB-CE3 3.67Å; E73-W343 HydrophobicContact CB-CZ3 4.06Å; E73-W343 HydrophobicContact CG-CE3 4.06Å; E73-W343 HydrophobicContact CG-CZ3 4.29Å; Y105-W343 VanDerWaalsContact OH-CA 3.31Å; Y105-W343 WeakPolarHBondContact OH-CA 3.36Å; Y105-W343 PolarHBondContact OH-N 2.98Å; Y157-W343 HydrophobicContact CD1-CZ3 4.21Å; Y157-W343 HydrophobicContact CD2-CZ3 4.3Å; Y157-W343 HydrophobicContact CG-CH2 4.49Å; Y157-W343 AromaticContact CG-CZ3 3.91Å; Y157-W343 HydrophobicContact CG-CZ3 3.91Å; D330-W343 PolarHBondContact OD2-NE1 2.85Å; C334-W343 VanDerWaalsContact SG-CD1 3.57Å; D339-W343 PolarHBondContact O-N 3.43Å; W343-F345 VanDerWaalsContact C-N 3.31Å; W343-F345 PolarHBondContact O-N 2.91Å; W343-Q346 PolarHBondContact O-N 2.95Å; W343-S347 WeakPolarHBondContact O-CB 3.35Å; W343-S347 PolarHBondContact O-N 3.01Å; W343-S347 PolarHBondContact O-OG 2.98Å; W343-M351 HydrophobicContact CE3-CE 4.4Å; W343-M351 HydrophobicContact CE3-SD 4.33Å; W343-M351 HydrophobicContact CH2-CE 4.01Å; W343-M351 HydrophobicContact CH2-SD 3.61Å; W343-M351 HydrophobicContact CZ2-SD 4.16Å; W343-M351 HydrophobicContact CZ3-CE 3.64Å; W343-M351 HydrophobicContact CZ3-SD 3.72Å; W343-L353 HydrophobicContact CH2-CD1 4.42Å; W343-L353 HydrophobicContact CZ2-CD1 3.57Å
344	D	98.2	Very high	95.6	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.032	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-40.4	175.8	-178.7	43.6	0	0	0	111.9	C328 A329 S340 A342 S347 C348 Y378 W383	C328-D344 HydrophobicContact CB-CB 4.16Å; C328-D344 VanDerWaalsContact CB-OD1 3.28Å; C328-D344 WeakPolarHBondContact CB-OD1 3.37Å; A329-D344 PolarHBondContact N-OD1 2.85Å; S340-D344 VanDerWaalsContact O-CB 3.27Å; S340-D344 WeakPolarHBondContact O-CB 3.25Å; S340-D344 PolarHBondContact O-N 2.77Å; A342-D344 PolarHBondContact O-N 3.31Å; D344-S347 WeakPolarHBondContact O-CB 3.43Å; D344-S347 PolarHBondContact O-N 3.35Å; D344-C348 WeakPolarHBondContact O-CB 3.07Å; D344-C348 PolarHBondContact O-N 3.46Å; D344-Y378 VanDerWaalsContact OD1-CE1 3.28Å; D344-Y378 WeakPolarHBondContact OD1-CE1 3.42Å; D344-Y378 PolarHBondContact OD1-OH 3.43Å; D344-Y378 PolarHBondContact OD2-OH 3.29Å; D344-W383 HydrophobicContact CB-CZ2 4.43Å; D344-W383 PolarHBondContact OD2-NE1 3.07Å
345	F	98.5	Very high	95.9	Very high	6 Å²	6	22.7 Å²	22.7	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-65.3	-42.6	176.3	-177.6	-99.1	0	0	0	112.7	I120 L123 L341 A342 W343 S347 C348 T349 W383 V385	I120-F345 HydrophobicContact CB-CE2 4.44Å; I120-F345 HydrophobicContact CD1-CB 3.53Å; I120-F345 HydrophobicContact CD1-CD1 4.12Å; I120-F345 HydrophobicContact CD1-CD2 3.59Å; I120-F345 HydrophobicContact CD1-CE2 4.31Å; I120-F345 HydrophobicContact CD1-CG 3.46Å; I120-F345 VanDerWaalsContact CD1-CG 3.46Å; I120-F345 HydrophobicContact CG1-CB 4.22Å; I120-F345 HydrophobicContact CG1-CD1 3.85Å; I120-F345 HydrophobicContact CG1-CD2 3.88Å; I120-F345 HydrophobicContact CG1-CE1 4.14Å; I120-F345 HydrophobicContact CG1-CE2 4.17Å; I120-F345 HydrophobicContact CG1-CG 3.69Å; I120-F345 HydrophobicContact CG1-CZ 4.29Å; I120-F345 HydrophobicContact CG2-CD2 3.94Å; I120-F345 HydrophobicContact CG2-CE2 3.56Å; I120-F345 HydrophobicContact CG2-CZ 3.93Å; I120-F345 WeakPolarHBondContact O-CE1 3.41Å; L123-F345 HydrophobicContact CB-CD1 3.99Å; L123-F345 HydrophobicContact CB-CE1 4.13Å; L123-F345 HydrophobicContact CD2-CB 4.39Å; L123-F345 HydrophobicContact CD2-CD1 3.93Å; L123-F345 HydrophobicContact CG-CD1 4.06Å; L341-F345 WeakPolarHBondContact O-CB 3.18Å; L341-F345 PolarHBondContact O-N 3.12Å; L341-F345 VanDerWaalsContact O-N 3.13Å; A342-F345 PolarHBondContact O-N 2.99Å; W343-F345 VanDerWaalsContact C-N 3.31Å; W343-F345 PolarHBondContact O-N 2.91Å; F345-S347 VanDerWaalsContact C-N 3.35Å; F345-C348 CarbonylContact O-C 3.55Å; F345-C348 WeakPolarHBondContact O-CA 3.45Å; F345-C348 WeakPolarHBondContact O-CB 3.44Å; F345-C348 PolarHBondContact O-N 2.95Å; F345-C348 VanDerWaalsContact O-N 3.1Å; F345-T349 HydrophobicContact CD1-CG2 4.28Å; F345-T349 HydrophobicContact CD2-CG2 4.46Å; F345-T349 HydrophobicContact CE1-CG2 3.82Å; F345-T349 HydrophobicContact CE2-CG2 4.01Å; F345-T349 HydrophobicContact CZ-CG2 3.68Å; F345-T349 WeakPolarHBondContact O-CG2 3.37Å; F345-T349 PolarHBondContact O-N 2.79Å; F345-T349 VanDerWaalsContact O-N 3.14Å; F345-T349 PolarHBondContact O-OG1 3.08Å; F345-T349 VanDerWaalsContact O-OG1 3.13Å; F345-W383 HydrophobicContact CB-CD2 4.46Å; F345-W383 HydrophobicContact CB-CZ2 4.34Å; F345-W383 HydrophobicContact CD2-CB 4.11Å; F345-W383 AromaticContact CD2-CD2 3.82Å; F345-W383 HydrophobicContact CD2-CD2 3.82Å; F345-W383 HydrophobicContact CD2-CE3 4.04Å; F345-W383 AromaticContact CD2-CG 3.86Å; F345-W383 HydrophobicContact CD2-CG 3.86Å; F345-W383 HydrophobicContact CE2-CB 4.33Å; F345-V385 HydrophobicContact CE2-CG1 3.85Å; F345-V385 HydrophobicContact CE2-CG2 4.48Å; F345-V385 HydrophobicContact CZ-CG1 4.33Å
346	Q	97.7	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-39.5	175.9	-69.1	-169.2	-94.7	0	0	112.3	Y105 L123 Y157 A342 W343 C348 T349 E350 M351	Y105-Q346 VanDerWaalsContact CE2-OE1 3.26Å; Y105-Q346 PolarHBondContact OH-OE1 3.13Å; L123-Q346 HydrophobicContact CD1-CG 4.02Å; L123-Q346 HydrophobicContact CD2-CG 3.91Å; L123-Q346 HydrophobicContact CG-CG 3.73Å; Y157-Q346 PolarHBondContact OH-NE2 3.43Å; A342-Q346 PolarHBondContact O-N 3.14Å; W343-Q346 PolarHBondContact O-N 2.95Å; Q346-C348 PolarHBondContact O-N 3.29Å; Q346-T349 PolarHBondContact O-N 3.13Å; Q346-T349 VanDerWaalsContact O-N 3.12Å; Q346-T349 PolarHBondContact O-OG1 3.32Å; Q346-E350 PolarHBondContact NE2-OE1 2.8Å; Q346-E350 PolarHBondContact O-N 2.96Å; Q346-M351 HydrophobicContact CB-CE 3.98Å; Q346-M351 HydrophobicContact CB-CG 4.5Å; Q346-M351 HydrophobicContact CB-SD 4.07Å; Q346-M351 PolarHBondContact O-N 3.4Å
347	S	97.8	Very high	96.6	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-58.5	-30.8	170.5	-58.1	0	0	0	0	112.5	W343 D344 F345 L353	W343-S347 WeakPolarHBondContact O-CB 3.35Å; W343-S347 PolarHBondContact O-N 3.01Å; W343-S347 PolarHBondContact O-OG 2.98Å; D344-S347 WeakPolarHBondContact O-CB 3.43Å; D344-S347 PolarHBondContact O-N 3.35Å; F345-S347 VanDerWaalsContact C-N 3.35Å; S347-L353 WeakPolarHBondContact OG-CD1 3.47Å
348	C	98.4	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-9.4	177.1	-89.5	0	0	0	0	115.7	A329 D344 F345 Q346 C379 V385 P387	A329-C348 HydrophobicContact CB-CB 4.48Å; A329-C348 WeakPolarHBondContact CB-SG 3.5Å; D344-C348 WeakPolarHBondContact O-CB 3.07Å; D344-C348 PolarHBondContact O-N 3.46Å; F345-C348 CarbonylContact O-C 3.55Å; F345-C348 WeakPolarHBondContact O-CA 3.45Å; F345-C348 WeakPolarHBondContact O-CB 3.44Å; F345-C348 PolarHBondContact O-N 2.95Å; F345-C348 VanDerWaalsContact O-N 3.1Å; Q346-C348 PolarHBondContact O-N 3.29Å; C348-C379 WeakPolarHBondContact CA-SG 3.36Å; C348-C379 HydrophobicContact CB-CB 3.6Å; C348-C379 WeakPolarHBondContact CB-SG 3.47Å; C348-C379 WeakPolarHBondContact SG-CA 3.3Å; C348-C379 WeakPolarHBondContact SG-CB 3.33Å; C348-C379 CovalentContact SG-SG 2.03Å; C348-C379 PolarHBondContact SG-SG 3.15Å; C348-V385 HydrophobicContact CB-CG2 4.02Å; C348-P387 VanDerWaalsContact O-CA 3.3Å; C348-P387 WeakPolarHBondContact O-CA 2.93Å; C348-P387 WeakPolarHBondContact O-CG 3.26Å
349	T	98	Very high	96.4	Very high	28 Å²	28	23.5 Å²	23.5	17%	0.172	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-59.8	-175.1	54.1	0	0	0	0	112.5	F345 Q346 V385 A388	F345-T349 HydrophobicContact CD1-CG2 4.28Å; F345-T349 HydrophobicContact CD2-CG2 4.46Å; F345-T349 HydrophobicContact CE1-CG2 3.82Å; F345-T349 HydrophobicContact CE2-CG2 4.01Å; F345-T349 HydrophobicContact CZ-CG2 3.68Å; F345-T349 WeakPolarHBondContact O-CG2 3.37Å; F345-T349 PolarHBondContact O-N 2.79Å; F345-T349 VanDerWaalsContact O-N 3.14Å; F345-T349 PolarHBondContact O-OG1 3.08Å; F345-T349 VanDerWaalsContact O-OG1 3.13Å; Q346-T349 PolarHBondContact O-N 3.13Å; Q346-T349 VanDerWaalsContact O-N 3.12Å; Q346-T349 PolarHBondContact O-OG1 3.32Å; T349-V385 HydrophobicContact CG2-CB 4.31Å; T349-V385 HydrophobicContact CG2-CG1 4.47Å; T349-V385 HydrophobicContact CG2-CG2 3.93Å; T349-A388 WeakPolarHBondContact O-CB 3.41Å; T349-A388 PolarHBondContact O-N 3.33Å
350	E	96	Very high	96.2	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-18.1	-166.1	62.8	-168.7	163.3	0	0	114.2	S124 I125 Q346 L392	S124-E350 WeakPolarHBondContact CA-OE1 3.48Å; I125-E350 HydrophobicContact CD1-CG 4Å; I125-E350 WeakPolarHBondContact CG1-OE1 3.33Å; I125-E350 PolarHBondContact N-OE1 3.5Å; I125-E350 PolarHBondContact N-OE2 2.93Å; Q346-E350 PolarHBondContact NE2-OE1 2.8Å; Q346-E350 PolarHBondContact O-N 2.96Å; E350-L392 WeakPolarHBondContact O-CD1 3.41Å; E350-L392 VanDerWaalsContact O-CG 3.25Å; E350-L392 WeakPolarHBondContact O-CG 3.38Å
351	M	96.7	Very high	96	Very high	3 Å²	3	29 Å²	29	2%	0.015	17%	0.165	C	C	.	.			trans	-97.8	141.6	-175.6	-60.2	-176.6	176.6	0	0	113.1	I125 Y157 V186 W343 Q346 L353 L392	I125-M351 HydrophobicContact CD1-CE 4.26Å; Y157-M351 HydrophobicContact CD2-CE 3.47Å; Y157-M351 VanDerWaalsContact CD2-CE 3.47Å; Y157-M351 HydrophobicContact CE2-CE 3.27Å; Y157-M351 HydrophobicContact CG-CE 4.3Å; V186-M351 HydrophobicContact CG1-CB 3.61Å; V186-M351 HydrophobicContact CG1-CG 3.58Å; V186-M351 HydrophobicContact CG1-SD 4.31Å; W343-M351 HydrophobicContact CE3-CE 4.4Å; W343-M351 HydrophobicContact CE3-SD 4.33Å; W343-M351 HydrophobicContact CH2-CE 4.01Å; W343-M351 HydrophobicContact CH2-SD 3.61Å; W343-M351 HydrophobicContact CZ2-SD 4.16Å; W343-M351 HydrophobicContact CZ3-CE 3.64Å; W343-M351 HydrophobicContact CZ3-SD 3.72Å; Q346-M351 HydrophobicContact CB-CE 3.98Å; Q346-M351 HydrophobicContact CB-CG 4.5Å; Q346-M351 HydrophobicContact CB-SD 4.07Å; Q346-M351 PolarHBondContact O-N 3.4Å; M351-L353 HydrophobicContact CB-CD1 4.22Å; M351-L353 HydrophobicContact CB-CG 4.19Å; M351-L353 HydrophobicContact SD-CD1 4.25Å; M351-L392 HydrophobicContact CG-CD1 4.49Å
352	N	97.9	Very high	95.8	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	17%	0.169	C	C	.	.			trans	-98.9	97.6	171.5	-65.9	-94	0	0	0	109.9	W185 V186 G188 F389	W185-N352 WeakPolarHBondContact O-CB 3.17Å; V186-N352 WeakPolarHBondContact O-CB 3.21Å; V186-N352 PolarHBondContact O-N 2.73Å; V186-N352 PolarHBondContact O-ND2 3.19Å; G188-N352 PolarHBondContact N-ND2 3.43Å; N352-F389 PolarHBondContact ND2-O 3.11Å; N352-F389 VanDerWaalsContact OD1-CD1 3.25Å; N352-F389 WeakPolarHBondContact OD1-CD1 3.14Å; N352-F389 PolarHBondContact OD1-O 2.57Å
353	L	97.7	Very high	95.6	Very high	3 Å²	3	30 Å²	30	2%	0.016	17%	0.17	C	C	.	.			trans	-125.6	36.8	-179	-61.6	175.5	0	0	0	112	V186 F192 D330 I331 W343 S347 M351 W417	V186-L353 HydrophobicContact CG2-CD2 3.98Å; F192-L353 HydrophobicContact CE2-CD2 3.96Å; F192-L353 HydrophobicContact CZ-CD2 4.44Å; D330-L353 HydrophobicContact CB-CB 4.22Å; D330-L353 HydrophobicContact CB-CD1 3.98Å; I331-L353 WeakPolarHBondContact CB-O 3.34Å; I331-L353 WeakPolarHBondContact CG2-O 3.46Å; I331-L353 PolarHBondContact N-O 2.89Å; W343-L353 HydrophobicContact CH2-CD1 4.42Å; W343-L353 HydrophobicContact CZ2-CD1 3.57Å; S347-L353 WeakPolarHBondContact OG-CD1 3.47Å; M351-L353 HydrophobicContact CB-CD1 4.22Å; M351-L353 HydrophobicContact CB-CG 4.19Å; M351-L353 HydrophobicContact SD-CD1 4.25Å; L353-W417 HydrophobicContact CD2-CH2 3.86Å; L353-W417 HydrophobicContact CD2-CZ3 3.98Å
354	H	97	Very high	95.5	Very high	23 Å²	23	28.6 Å²	28.6	11%	0.106	17%	0.165	C	C	.	.			trans	-112.8	157.9	-179.3	65.5	-89.3	0	0	0	110.1	D356 L370 K372 V375 F389	H354-D356 IonicContact CD2-OD1 3.8Å; H354-D356 PolarHBondContact CD2-OD1 3.26Å; H354-D356 IonicContact NE2-OD1 2.63Å; H354-L370 WeakPolarHBondContact CB-O 3.19Å; H354-K372 WeakPolarHBondContact CE1-CE 3.27Å; H354-K372 WeakPolarHBondContact NE2-CE 3.35Å; H354-K372 VanDerWaalsContact NE2-CG 3.26Å; H354-K372 WeakPolarHBondContact NE2-CG 3.42Å; H354-V375 HydrophobicContact CB-CG2 3.9Å; H354-F389 AromaticContact ND1-CE1 3.88Å
355	D	96.4	Very high	95.5	Very high	10 Å²	10	28.6 Å²	28.6	5%	0.053	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-142.5	104.7	175.4	-176.1	10.1	0	0	0	108.4	F192 H193 F196 I331 S357 P369 L370	F192-D355 HydrophobicContact CD1-CB 4.04Å; H193-D355 WeakPolarHBondContact CA-OD2 3.05Å; H193-D355 IonicContact CG-OD2 2.76Å; H193-D355 IonicContact ND1-OD2 2.93Å; H193-D355 PolarHBondContact ND1-OD2 3.41Å; F196-D355 HydrophobicContact CE2-CB 4.36Å; I331-D355 HydrophobicContact CD1-CB 3.46Å; I331-D355 VanDerWaalsContact CD1-CB 3.46Å; D355-S357 PolarHBondContact O-N 3.48Å; D355-S357 VanDerWaalsContact OD1-CB 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.17Å; D355-S357 PolarHBondContact OD1-N 3.37Å; D355-S357 VanDerWaalsContact OD1-N 3.07Å; D355-S357 PolarHBondContact OD1-OG 2.95Å; D355-S357 PolarHBondContact OD2-OG 3.42Å; D355-S357 VanDerWaalsContact OD2-OG 3.11Å; D355-P369 CarbonylContact O-C 3.5Å; D355-P369 WeakPolarHBondContact O-CA 3.4Å; D355-L370 CarbonylContact C-O 3.36Å; D355-L370 PolarHBondContact N-O 3.28Å; D355-L370 VanDerWaalsContact N-O 3.14Å; D355-L370 CarbonylContact O-C 3.52Å; D355-L370 PolarHBondContact O-N 2.78Å
356	D	93.9	Very high	95.4	Very high	81 Å²	81	29.1 Å²	29.1	43%	0.433	17%	0.168	S	C	.	.			trans	-76.1	-6.1	-179.7	-68.9	39.2	0	0	0	111.8	H354 T371 K372	H354-D356 IonicContact CD2-OD1 3.8Å; H354-D356 PolarHBondContact CD2-OD1 3.26Å; H354-D356 IonicContact NE2-OD1 2.63Å; D356-T371 HydrophobicContact CB-CG2 4.31Å; D356-T371 VanDerWaalsContact CG-CA 3.48Å; D356-T371 WeakPolarHBondContact OD1-CA 3.18Å; D356-T371 WeakPolarHBondContact OD2-CB 3.34Å; D356-K372 PolarHBondContact OD1-N 3.13Å; D356-K372 VanDerWaalsContact OD1-N 3.15Å
357	S	92.6	Very high	95.3	Very high	37 Å²	37	31.1 Å²	31.1	26%	0.259	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-81.3	147.7	-172.8	71	0	0	0	0	113.5	H193 D355	H193-S357 WeakPolarHBondContact CB-OG 3.31Å; H193-S357 PolarHBondContact ND1-OG 3.1Å; D355-S357 PolarHBondContact O-N 3.48Å; D355-S357 VanDerWaalsContact OD1-CB 3.27Å; D355-S357 WeakPolarHBondContact OD1-CB 3.17Å; D355-S357 PolarHBondContact OD1-N 3.37Å; D355-S357 VanDerWaalsContact OD1-N 3.07Å; D355-S357 PolarHBondContact OD1-OG 2.95Å; D355-S357 PolarHBondContact OD2-OG 3.42Å; D355-S357 VanDerWaalsContact OD2-OG 3.11Å
358	D	92.8	Very high	95.2	Very high	111 Å²	111	31.6 Å²	31.6	59%	0.594	19%	0.185	S	C	*	.	P	Polyproline II helix	trans	-75.8	158.4	164.6	-76.3	-54.9	0	0	0	110.6	S367	D358-S367 VanDerWaalsContact CA-OG 3.3Å; D358-S367 WeakPolarHBondContact CA-OG 3.4Å; D358-S367 PolarHBondContact OD1-OG 3.39Å
359	S	90.5	Very high	95.1	Very high	38 Å²	38	33.7 Å²	33.7	27%	0.266	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-59.6	139.1	175.2	179.5	0	0	0	0	112.8	D363 F365	S359-D363 WeakPolarHBondContact CA-OD2 2.96Å; S359-D363 WeakPolarHBondContact CB-OD2 3.06Å; S359-D363 WeakPolarHBondContact OG-CB 3.46Å; S359-D363 PolarHBondContact OG-OD2 3.36Å; S359-F365 PolarHBondContact OG-O 3.01Å
360	T	91.8	Very high	95.1	Very high	49 Å²	49	33.2 Å²	33.2	30%	0.301	20%	0.195	S	C	.	.			trans	-96.4	177.4	179.4	75.1	0	0	0	0	112.6	H193 E197 N362 D363	H193-T360 VanDerWaalsContact NE2-CG2 3.28Å; H193-T360 WeakPolarHBondContact NE2-CG2 3.26Å; E197-T360 PolarHBondContact OE1-OG1 2.75Å; T360-N362 PolarHBondContact O-N 3.01Å; T360-N362 PolarHBondContact OG1-N 2.91Å; T360-N362 VanDerWaalsContact OG1-N 3.13Å; T360-D363 PolarHBondContact N-OD2 3.29Å; T360-D363 PolarHBondContact O-N 3.16Å
361	T	90.7	Very high	95.1	Very high	124 Å²	124	35 Å²	35	76%	0.761	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.2	171.4	50.8	0	0	0	0	113	K215	K215-T361 PolarHBondContact NZ-O 3.14Å
362	N	93.7	Very high	95.1	Very high	68 Å²	68	38.8 Å²	38.8	36%	0.364	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.7	-177.8	-67.9	-25.7	0	0	0	113.3	E197 T200 R204 T360	E197-N362 HydrophobicContact CB-CB 4.43Å; E197-N362 VanDerWaalsContact CD-CB 3.49Å; E197-N362 HydrophobicContact CG-CB 3.94Å; E197-N362 PolarHBondContact OE2-ND2 3.35Å; T200-N362 WeakPolarHBondContact CB-O 3Å; T200-N362 WeakPolarHBondContact CG2-O 3.22Å; R204-N362 PolarHBondContact NH2-O 3.19Å; T360-N362 PolarHBondContact O-N 3.01Å; T360-N362 PolarHBondContact OG1-N 2.91Å; T360-N362 VanDerWaalsContact OG1-N 3.13Å
363	D	92.6	Very high	95.2	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	26%	0.255	C	S	.	.			trans	-79.6	148.3	175.9	-69.6	-48.5	0	0	0	113.3	H193 T200 K215 S359 T360	H193-D363 IonicContact CE1-OD1 3.1Å; H193-D363 IonicContact CE1-OD2 2.64Å; H193-D363 PolarHBondContact CE1-OD2 3.35Å; H193-D363 IonicContact NE2-OD1 2.68Å; H193-D363 IonicContact NE2-OD2 3.7Å; H193-D363 PolarHBondContact NE2-OD2 3.36Å; T200-D363 WeakPolarHBondContact OG1-CA 3.45Å; K215-D363 WeakPolarHBondContact CD-O 3.43Å; K215-D363 WeakPolarHBondContact CE-O 3.27Å; K215-D363 PolarHBondContact NZ-O 3.44Å; S359-D363 WeakPolarHBondContact CA-OD2 2.96Å; S359-D363 WeakPolarHBondContact CB-OD2 3.06Å; S359-D363 WeakPolarHBondContact OG-CB 3.46Å; S359-D363 PolarHBondContact OG-OD2 3.36Å; T360-D363 PolarHBondContact N-OD2 3.29Å; T360-D363 PolarHBondContact O-N 3.16Å
364	M	97.5	Very high	95.2	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	28%	0.276	C	S	.	.	S	Bend	trans	-92.3	-4.3	160	68.5	-178.7	179.2	0	0	113.2	V199 T200 Y203 I214 K215 F218 F262	V199-M364 HydrophobicContact CG1-CE 4Å; T200-M364 HydrophobicContact CG2-CB 3.8Å; T200-M364 HydrophobicContact CG2-CG 4Å; T200-M364 PolarHBondContact OG1-N 2.85Å; Y203-M364 HydrophobicContact CD1-CE 4.19Å; Y203-M364 HydrophobicContact CD1-SD 4.34Å; Y203-M364 HydrophobicContact CD2-CE 3.65Å; Y203-M364 HydrophobicContact CE2-CE 4.13Å; Y203-M364 HydrophobicContact CG-CE 3.7Å; Y203-M364 HydrophobicContact CG-SD 3.99Å; I214-M364 HydrophobicContact CB-SD 4.14Å; I214-M364 HydrophobicContact CD1-SD 4.12Å; I214-M364 HydrophobicContact CG2-CB 4.38Å; I214-M364 HydrophobicContact CG2-CG 4.13Å; I214-M364 HydrophobicContact CG2-SD 3.75Å; K215-M364 VanDerWaalsContact CA-O 3.27Å; K215-M364 WeakPolarHBondContact CA-O 3.4Å; K215-M364 HydrophobicContact CB-CB 4.09Å; F218-M364 WeakPolarHBondContact CD2-O 3.47Å; F262-M364 HydrophobicContact CB-CE 3.86Å; F262-M364 HydrophobicContact CD1-CE 3.99Å; F262-M364 HydrophobicContact CG-CE 3.95Å
365	F	97.7	Very high	95.2	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.026	27%	0.272	C	S	.	.	S	Bend	trans	-91.3	169.3	-179.9	-55	-60.6	0	0	0	111.9	F196 V199 F218 R259 F262 S359	F196-F365 HydrophobicContact CB-CD2 4.16Å; F196-F365 HydrophobicContact CB-CE2 4.41Å; F196-F365 HydrophobicContact CD1-CD2 4.23Å; F196-F365 HydrophobicContact CD1-CE2 4.22Å; V199-F365 HydrophobicContact CB-CE2 4.14Å; V199-F365 HydrophobicContact CB-CZ 4.42Å; V199-F365 HydrophobicContact CG1-CE2 3.95Å; V199-F365 HydrophobicContact CG1-CZ 3.72Å; F218-F365 HydrophobicContact CD2-CD1 4.31Å; F218-F365 AromaticContact CE2-CD1 3.64Å; F218-F365 HydrophobicContact CE2-CD1 3.64Å; F218-F365 HydrophobicContact CE2-CE1 4.02Å; F218-F365 AromaticContact CZ-CD1 3.87Å; F218-F365 HydrophobicContact CZ-CD1 3.87Å; F218-F365 HydrophobicContact CZ-CE1 4.28Å; R259-F365 HydrophobicContact CB-CD1 4.1Å; R259-F365 HydrophobicContact CB-CE1 4.19Å; R259-F365 HydrophobicContact CG-CD1 3.78Å; R259-F365 HydrophobicContact CG-CD2 4.24Å; R259-F365 HydrophobicContact CG-CE1 3.8Å; R259-F365 HydrophobicContact CG-CE2 4.24Å; R259-F365 HydrophobicContact CG-CG 4Å; R259-F365 HydrophobicContact CG-CZ 4.02Å; F262-F365 HydrophobicContact CB-CE1 3.83Å; F262-F365 HydrophobicContact CB-CZ 3.76Å; F262-F365 AromaticContact CD2-CE1 3.76Å; F262-F365 HydrophobicContact CD2-CE1 3.76Å; F262-F365 HydrophobicContact CG-CE1 4.02Å; F262-F365 HydrophobicContact CG-CZ 4.4Å; S359-F365 PolarHBondContact OG-O 3.01Å
366	V	96.3	Very high	95.3	Very high	16 Å²	16	50.3 Å²	50.3	10%	0.097	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-93.2	161.1	167.5	-74.5	0	0	0	0	109.9	F218 V222 L255 L368	F218-V366 HydrophobicContact CB-CG1 3.84Å; F218-V366 HydrophobicContact CD1-CG2 4.12Å; V222-V366 HydrophobicContact CG2-CB 4.24Å; V222-V366 HydrophobicContact CG2-CG1 3.73Å; V222-V366 HydrophobicContact CG2-CG2 4.32Å; L255-V366 HydrophobicContact CB-CG2 4.48Å; L255-V366 HydrophobicContact CD1-CG2 3.81Å; L255-V366 HydrophobicContact CD2-CG2 4.08Å; L255-V366 HydrophobicContact CG-CG2 4.36Å; V366-L368 HydrophobicContact CG2-CG 4.36Å; V366-L368 PolarHBondContact O-N 3.16Å
367	S	95.5	Very high	95.6	Very high	42 Å²	42	48.3 Å²	48.3	29%	0.294	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-60.9	121.9	178.3	-170.5	0	0	0	0	111.5	D358 P369	D358-S367 VanDerWaalsContact CA-OG 3.3Å; D358-S367 WeakPolarHBondContact CA-OG 3.4Å; D358-S367 PolarHBondContact OD1-OG 3.39Å; S367-P369 WeakPolarHBondContact OG-CD 3.31Å
368	L	95.8	Very high	95.8	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.063	27%	0.269	C	S	.	.			trans	-142.7	60	-179.9	-67.2	172.7	0	0	0	109.6	Y252 L255 K256 V366	Y252-L368 HydrophobicContact CD1-CD2 3.74Å; Y252-L368 HydrophobicContact CE1-CD2 4.43Å; L255-L368 HydrophobicContact CB-CD1 4.02Å; L255-L368 HydrophobicContact CB-CD2 4.11Å; L255-L368 HydrophobicContact CD1-CD2 4.2Å; K256-L368 HydrophobicContact CG-CD1 4.05Å; K256-L368 HydrophobicContact CG-CD2 4.41Å; V366-L368 HydrophobicContact CG2-CG 4.36Å; V366-L368 PolarHBondContact O-N 3.16Å
369	P	96.5	Very high	96.1	Very high	45 Å²	45	44 Å²	44	29%	0.292	24%	0.24	S	C	.	.			trans	-66.7	146.2	-175.9	28.7	-35.1	0	0	0	110.5	D355 S367	D355-P369 CarbonylContact O-C 3.5Å; D355-P369 WeakPolarHBondContact O-CA 3.4Å; S367-P369 WeakPolarHBondContact OG-CD 3.31Å
370	L	97	Very high	96.5	Very high	18 Å²	18	46.7 Å²	46.7	9%	0.094	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-125.4	102.8	168.5	177.3	62.5	0	0	0	107.5	I331 H354 D355 Q374 V375	I331-L370 HydrophobicContact CB-CB 4.4Å; I331-L370 HydrophobicContact CB-CD2 3.96Å; I331-L370 HydrophobicContact CD1-CB 3.87Å; I331-L370 HydrophobicContact CG1-CB 4.01Å; I331-L370 HydrophobicContact CG1-CD2 4.35Å; H354-L370 WeakPolarHBondContact CB-O 3.19Å; D355-L370 CarbonylContact C-O 3.36Å; D355-L370 PolarHBondContact N-O 3.28Å; D355-L370 VanDerWaalsContact N-O 3.14Å; D355-L370 CarbonylContact O-C 3.52Å; D355-L370 PolarHBondContact O-N 2.78Å; L370-Q374 HydrophobicContact CD1-CB 3.9Å; L370-V375 HydrophobicContact CD1-CG2 3.93Å; L370-V375 HydrophobicContact CD2-CG2 3.82Å; L370-V375 HydrophobicContact CG-CG2 3.64Å
371	T	97.2	Very high	96.8	Very high	39 Å²	39	53.4 Å²	53.4	24%	0.239	27%	0.269	C	S	.	.			trans	-80.3	155.8	-174.8	69.5	0	0	0	0	113.1	D356 Q373 Q374 V375	D356-T371 HydrophobicContact CB-CG2 4.31Å; D356-T371 VanDerWaalsContact CG-CA 3.48Å; D356-T371 WeakPolarHBondContact OD1-CA 3.18Å; D356-T371 WeakPolarHBondContact OD2-CB 3.34Å; T371-Q373 PolarHBondContact O-N 3.49Å; T371-Q373 VanDerWaalsContact O-N 3.1Å; T371-Q374 WeakPolarHBondContact O-CB 3.42Å; T371-Q374 PolarHBondContact O-N 3.18Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.36Å; T371-Q374 PolarHBondContact OG1-N 2.02Å; T371-Q374 PolarHBondContact OG1-OE1 2.58Å; T371-V375 PolarHBondContact O-N 2.98Å
372	K	97	Very high	97.1	Very high	83 Å²	83	52.5 Å²	52.5	36%	0.361	25%	0.251	S	S	.	.	H	α-helix	trans	-49.3	-37.4	169.2	-72.2	-173.2	178.4	-179.4	0	113.3	H354 D356 T376 F389	H354-K372 WeakPolarHBondContact CE1-CE 3.27Å; H354-K372 WeakPolarHBondContact NE2-CE 3.35Å; H354-K372 VanDerWaalsContact NE2-CG 3.26Å; H354-K372 WeakPolarHBondContact NE2-CG 3.42Å; D356-K372 PolarHBondContact OD1-N 3.13Å; D356-K372 VanDerWaalsContact OD1-N 3.15Å; K372-T376 WeakPolarHBondContact O-CB 3.33Å; K372-T376 PolarHBondContact O-N 2.97Å; K372-T376 PolarHBondContact O-OG1 3.15Å; K372-F389 HydrophobicContact CB-CE2 3.95Å; K372-F389 HydrophobicContact CB-CZ 3.83Å; K372-F389 HydrophobicContact CD-CD2 4.2Å; K372-F389 HydrophobicContact CD-CE2 4.19Å; K372-F389 HydrophobicContact CD-CG 4.41Å; K372-F389 HydrophobicContact CD-CZ 4.39Å; K372-F389 HydrophobicContact CG-CE1 4.18Å; K372-F389 HydrophobicContact CG-CE2 4.13Å; K372-F389 HydrophobicContact CG-CZ 3.9Å
373	Q	98	Very high	97.3	Very high	150 Å²	150	49.8 Å²	49.8	70%	0.701	24%	0.236	S	C	*	.	H	α-helix	trans	-70.6	-39.2	178.8	-172.9	179.9	10.2	0	0	112.1	T371 T376 S377	T371-Q373 PolarHBondContact O-N 3.49Å; T371-Q373 VanDerWaalsContact O-N 3.1Å; Q373-T376 PolarHBondContact O-N 3.48Å; Q373-S377 WeakPolarHBondContact O-CB 3.45Å; Q373-S377 PolarHBondContact O-N 2.78Å; Q373-S377 PolarHBondContact O-OG 3.23Å
374	Q	97.8	Very high	97.5	Very high	98 Å²	98	52.5 Å²	52.5	46%	0.458	27%	0.265	S	S	.	.	H	α-helix	trans	-64	-46.5	174.8	-74.4	170.4	-54.5	0	0	110.7	L370 T371 S377 Y378	L370-Q374 HydrophobicContact CD1-CB 3.9Å; T371-Q374 WeakPolarHBondContact O-CB 3.42Å; T371-Q374 PolarHBondContact O-N 3.18Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.36Å; T371-Q374 PolarHBondContact OG1-N 2.02Å; T371-Q374 PolarHBondContact OG1-OE1 2.58Å; Q374-S377 PolarHBondContact O-N 3.34Å; Q374-Y378 WeakPolarHBondContact O-CB 3.29Å; Q374-Y378 PolarHBondContact O-N 3.4Å
375	V	98.4	Very high	97.5	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.024	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-49.8	174.7	178	0	0	0	0	110.7	A329 H354 L370 T371 S377 Y378 C379 P387	A329-V375 HydrophobicContact CB-CG1 4.11Å; H354-V375 HydrophobicContact CB-CG2 3.9Å; L370-V375 HydrophobicContact CD1-CG2 3.93Å; L370-V375 HydrophobicContact CD2-CG2 3.82Å; L370-V375 HydrophobicContact CG-CG2 3.64Å; T371-V375 PolarHBondContact O-N 2.98Å; V375-S377 VanDerWaalsContact C-N 3.32Å; V375-S377 PolarHBondContact O-N 3.43Å; V375-Y378 WeakPolarHBondContact O-CB 3.34Å; V375-Y378 PolarHBondContact O-N 3.46Å; V375-Y378 VanDerWaalsContact O-N 3.12Å; V375-C379 WeakPolarHBondContact O-CB 3.25Å; V375-C379 PolarHBondContact O-N 2.82Å; V375-C379 PolarHBondContact O-SG 3.47Å; V375-P387 HydrophobicContact CG1-CG 4.09Å
376	T	98.7	Very high	97.6	Very high	29 Å²	29	57.6 Å²	57.6	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-55.4	-48.2	178.1	-60.8	0	0	0	0	111.6	K372 Q373 Y378 C379 Q380 T386	K372-T376 WeakPolarHBondContact O-CB 3.33Å; K372-T376 PolarHBondContact O-N 2.97Å; K372-T376 PolarHBondContact O-OG1 3.15Å; Q373-T376 PolarHBondContact O-N 3.48Å; T376-Y378 VanDerWaalsContact C-N 3.33Å; T376-Y378 PolarHBondContact O-N 3.39Å; T376-C379 PolarHBondContact O-N 3.05Å; T376-Q380 HydrophobicContact CG2-CG 4.46Å; T376-Q380 WeakPolarHBondContact O-CB 3.34Å; T376-Q380 VanDerWaalsContact O-CG 3.27Å; T376-Q380 WeakPolarHBondContact O-CG 2.99Å; T376-Q380 PolarHBondContact O-N 3.36Å; T376-T386 HydrophobicContact CG2-CG2 4.38Å
377	S	98.6	Very high	97.7	Very high	39 Å²	39	57.4 Å²	57.4	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-64.9	-38	179.9	-56.4	0	0	0	0	112.1	Q373 Q374 V375 R381	Q373-S377 WeakPolarHBondContact O-CB 3.45Å; Q373-S377 PolarHBondContact O-N 2.78Å; Q373-S377 PolarHBondContact O-OG 3.23Å; Q374-S377 PolarHBondContact O-N 3.34Å; V375-S377 VanDerWaalsContact C-N 3.32Å; V375-S377 PolarHBondContact O-N 3.43Å; S377-R381 WeakPolarHBondContact O-CG 3.4Å; S377-R381 PolarHBondContact O-N 3.07Å; S377-R381 PolarHBondContact O-NH1 2.9Å
378	Y	98.2	Very high	97.8	Very high	57 Å²	57	57.2 Å²	57.2	22%	0.224	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-52.7	174.5	170.9	-93.9	0	0	0	111.1	A329 D344 Q374 V375 T376 Q380 R381 R382	A329-Y378 HydrophobicContact CB-CD1 4.14Å; A329-Y378 HydrophobicContact CB-CE1 4.12Å; D344-Y378 VanDerWaalsContact OD1-CE1 3.28Å; D344-Y378 WeakPolarHBondContact OD1-CE1 3.42Å; D344-Y378 PolarHBondContact OD1-OH 3.43Å; D344-Y378 PolarHBondContact OD2-OH 3.29Å; Q374-Y378 WeakPolarHBondContact O-CB 3.29Å; Q374-Y378 PolarHBondContact O-N 3.4Å; V375-Y378 WeakPolarHBondContact O-CB 3.34Å; V375-Y378 PolarHBondContact O-N 3.46Å; V375-Y378 VanDerWaalsContact O-N 3.12Å; T376-Y378 VanDerWaalsContact C-N 3.33Å; T376-Y378 PolarHBondContact O-N 3.39Å; Y378-Q380 PolarHBondContact O-N 2.76Å; Y378-R381 PolarHBondContact O-N 3.01Å; Y378-R381 VanDerWaalsContact O-N 3.12Å; Y378-R382 HydrophobicContact CE1-CB 4.16Å; Y378-R382 HydrophobicContact CE1-CG 4.25Å; Y378-R382 HydrophobicContact CE2-CB 4.44Å; Y378-R382 VanDerWaalsContact O-CB 3.3Å; Y378-R382 WeakPolarHBondContact O-CB 3.45Å; Y378-R382 PolarHBondContact O-N 3.27Å
379	C	98.7	Very high	97.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-38.6	-176.8	-63	0	0	0	0	112.9	C348 V375 T376 R381 W383 G384 V385 P387	C348-C379 WeakPolarHBondContact CA-SG 3.36Å; C348-C379 HydrophobicContact CB-CB 3.6Å; C348-C379 WeakPolarHBondContact CB-SG 3.47Å; C348-C379 WeakPolarHBondContact SG-CA 3.3Å; C348-C379 WeakPolarHBondContact SG-CB 3.33Å; C348-C379 CovalentContact SG-SG 2.03Å; C348-C379 PolarHBondContact SG-SG 3.15Å; V375-C379 WeakPolarHBondContact O-CB 3.25Å; V375-C379 PolarHBondContact O-N 2.82Å; V375-C379 PolarHBondContact O-SG 3.47Å; T376-C379 PolarHBondContact O-N 3.05Å; C379-R381 PolarHBondContact O-N 3.14Å; C379-W383 WeakPolarHBondContact O-CA 3.1Å; C379-W383 WeakPolarHBondContact O-CB 3.32Å; C379-W383 PolarHBondContact O-N 3.09Å; C379-G384 PolarHBondContact O-N 3.03Å; C379-G384 VanDerWaalsContact O-N 3.11Å; C379-V385 CarbonylContact C-O 3.52Å; C379-V385 HydrophobicContact CB-CG2 4.22Å; C379-P387 HydrophobicContact CB-CG 4.2Å
380	Q	98.5	Very high	97.8	Very high	96 Å²	96	61.5 Å²	61.5	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-41.3	174.3	-74.4	174.9	-15.1	0	0	111.8	T376 Y378 G384 V385 T386	T376-Q380 HydrophobicContact CG2-CG 4.46Å; T376-Q380 WeakPolarHBondContact O-CB 3.34Å; T376-Q380 VanDerWaalsContact O-CG 3.27Å; T376-Q380 WeakPolarHBondContact O-CG 2.99Å; T376-Q380 PolarHBondContact O-N 3.36Å; Y378-Q380 PolarHBondContact O-N 2.76Å; Q380-G384 VanDerWaalsContact O-CA 3.27Å; Q380-G384 WeakPolarHBondContact O-CA 3.39Å; Q380-G384 PolarHBondContact O-N 3.26Å; Q380-G384 VanDerWaalsContact O-N 3.12Å; Q380-V385 WeakPolarHBondContact CA-O 3.27Å; Q380-V385 WeakPolarHBondContact CG-O 3.19Å; Q380-V385 PolarHBondContact N-O 2.95Å; Q380-T386 PolarHBondContact NE2-OG1 3.11Å
381	R	98.1	Very high	97.8	Very high	189 Å²	189	63.8 Å²	63.8	71%	0.713	33%	0.326	S	S	*	.	H	α-helix	trans	-73.5	-42.8	177.4	-71.8	-170.2	-55.8	-92.4	-0.2	113	S377 Y378 C379	S377-R381 WeakPolarHBondContact O-CG 3.4Å; S377-R381 PolarHBondContact O-N 3.07Å; S377-R381 PolarHBondContact O-NH1 2.9Å; Y378-R381 PolarHBondContact O-N 3.01Å; Y378-R381 VanDerWaalsContact O-N 3.12Å; C379-R381 PolarHBondContact O-N 3.14Å
382	R	97.2	Very high	97.8	Very high	106 Å²	106	62 Å²	62	40%	0.4	32%	0.315	S	S	.	.	H	α-helix	trans	-77.7	-40.8	-171.7	178.1	63.9	-171.3	100.5	-4.5	112.5	L341 Y378	L341-R382 VanDerWaalsContact CD2-NH2 3.35Å; Y378-R382 HydrophobicContact CE1-CB 4.16Å; Y378-R382 HydrophobicContact CE1-CG 4.25Å; Y378-R382 HydrophobicContact CE2-CB 4.44Å; Y378-R382 VanDerWaalsContact O-CB 3.3Å; Y378-R382 WeakPolarHBondContact O-CB 3.45Å; Y378-R382 PolarHBondContact O-N 3.27Å
383	W	97.5	Very high	97.8	Very high	10 Å²	10	59.8 Å²	59.8	4%	0.038	31%	0.31	C	S	.	.	H	α-helix	trans	-126.5	-13.9	-168.4	-63	116.5	0	0	0	113.6	F115 Q117 I120 L341 D344 F345 C379 V385	F115-W383 WeakPolarHBondContact O-CZ3 3.3Å; Q117-W383 PolarHBondContact NE2-O 3.34Å; I120-W383 HydrophobicContact CD1-CE3 3.78Å; I120-W383 HydrophobicContact CD1-CH2 3.68Å; I120-W383 HydrophobicContact CD1-CZ2 4.42Å; I120-W383 HydrophobicContact CD1-CZ3 3.32Å; I120-W383 HydrophobicContact CG2-CE3 4.45Å; L341-W383 HydrophobicContact CB-CH2 4.2Å; L341-W383 HydrophobicContact CD2-CH2 4.21Å; L341-W383 HydrophobicContact CD2-CZ2 4.35Å; D344-W383 HydrophobicContact CB-CZ2 4.43Å; D344-W383 PolarHBondContact OD2-NE1 3.07Å; F345-W383 HydrophobicContact CB-CD2 4.46Å; F345-W383 HydrophobicContact CB-CZ2 4.34Å; F345-W383 HydrophobicContact CD2-CB 4.11Å; F345-W383 AromaticContact CD2-CD2 3.82Å; F345-W383 HydrophobicContact CD2-CD2 3.82Å; F345-W383 HydrophobicContact CD2-CE3 4.04Å; F345-W383 AromaticContact CD2-CG 3.86Å; F345-W383 HydrophobicContact CD2-CG 3.86Å; F345-W383 HydrophobicContact CE2-CB 4.33Å; C379-W383 WeakPolarHBondContact O-CA 3.1Å; C379-W383 WeakPolarHBondContact O-CB 3.32Å; C379-W383 PolarHBondContact O-N 3.09Å; W383-V385 VanDerWaalsContact C-N 3.28Å; W383-V385 HydrophobicContact CB-CG1 4.37Å; W383-V385 HydrophobicContact CB-CG2 3.86Å
384	G	97.6	Very high	97.7	Very high	62 Å²	62	57.6 Å²	57.6	64%	0.639	31%	0.307	S	S	*	.	S	Bend	trans	71.2	24	-175.1	0	0	0	0	0	113.4	C379 Q380	C379-G384 PolarHBondContact O-N 3.03Å; C379-G384 VanDerWaalsContact O-N 3.11Å; Q380-G384 VanDerWaalsContact O-CA 3.27Å; Q380-G384 WeakPolarHBondContact O-CA 3.39Å; Q380-G384 PolarHBondContact O-N 3.26Å; Q380-G384 VanDerWaalsContact O-N 3.12Å
385	V	98	Very high	97.5	Very high	26 Å²	26	57.5 Å²	57.5	16%	0.158	31%	0.306	C	S	.	.			trans	-118.5	159.6	-179.5	-55.8	0	0	0	0	111.1	F345 C348 T349 C379 Q380 W383	F345-V385 HydrophobicContact CE2-CG1 3.85Å; F345-V385 HydrophobicContact CE2-CG2 4.48Å; F345-V385 HydrophobicContact CZ-CG1 4.33Å; C348-V385 HydrophobicContact CB-CG2 4.02Å; T349-V385 HydrophobicContact CG2-CB 4.31Å; T349-V385 HydrophobicContact CG2-CG1 4.47Å; T349-V385 HydrophobicContact CG2-CG2 3.93Å; C379-V385 CarbonylContact C-O 3.52Å; C379-V385 HydrophobicContact CB-CG2 4.22Å; Q380-V385 WeakPolarHBondContact CA-O 3.27Å; Q380-V385 WeakPolarHBondContact CG-O 3.19Å; Q380-V385 PolarHBondContact N-O 2.95Å; W383-V385 VanDerWaalsContact C-N 3.28Å; W383-V385 HydrophobicContact CB-CG1 4.37Å; W383-V385 HydrophobicContact CB-CG2 3.86Å
386	T	98.2	Very high	97.4	Very high	89 Å²	89	57.8 Å²	57.8	55%	0.546	31%	0.306	S	S	.	.			trans	-115.1	127.9	172.4	-62.5	0	0	0	0	108.4	T376 Q380 A388	T376-T386 HydrophobicContact CG2-CG2 4.38Å; Q380-T386 PolarHBondContact NE2-OG1 3.11Å; T386-A388 PolarHBondContact O-N 2.74Å
387	P	98.5	Very high	97	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.071	30%	0.303	C	S	.	.			trans	-59	133.7	179.5	-23.3	31.6	0	0	0	112.7	C348 V375 C379 F389	C348-P387 VanDerWaalsContact O-CA 3.3Å; C348-P387 WeakPolarHBondContact O-CA 2.93Å; C348-P387 WeakPolarHBondContact O-CG 3.26Å; V375-P387 HydrophobicContact CG1-CG 4.09Å; C379-P387 HydrophobicContact CB-CG 4.2Å; P387-F389 HydrophobicContact CB-CD1 4.06Å; P387-F389 HydrophobicContact CB-CD2 4.33Å; P387-F389 HydrophobicContact CB-CE1 3.67Å; P387-F389 HydrophobicContact CB-CE2 3.95Å; P387-F389 HydrophobicContact CB-CG 4.39Å; P387-F389 HydrophobicContact CB-CZ 3.62Å; P387-F389 HydrophobicContact CG-CE1 4.3Å; P387-F389 HydrophobicContact CG-CE2 4.44Å; P387-F389 HydrophobicContact CG-CZ 3.94Å; P387-F389 PolarHBondContact O-N 2.87Å
388	A	97.7	Very high	96.5	Very high	38 Å²	38	56.9 Å²	56.9	31%	0.314	30%	0.3	S	S	.	.			trans	-95	66.9	175.1	0	0	0	0	0	110.2	T349 T386 N390 Q391	T349-A388 WeakPolarHBondContact O-CB 3.41Å; T349-A388 PolarHBondContact O-N 3.33Å; T386-A388 PolarHBondContact O-N 2.74Å; A388-N390 PolarHBondContact O-N 3.07Å; A388-Q391 HydrophobicContact CB-CB 3.94Å; A388-Q391 VanDerWaalsContact O-CB 3.28Å; A388-Q391 WeakPolarHBondContact O-CB 3.34Å; A388-Q391 PolarHBondContact O-N 3.36Å
389	F	97.3	Very high	96.2	Very high	33 Å²	33	59.6 Å²	59.6	15%	0.145	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-27.3	-171	-65.3	-60.8	0	0	0	115.5	N352 H354 K372 P387	N352-F389 PolarHBondContact ND2-O 3.11Å; N352-F389 VanDerWaalsContact OD1-CD1 3.25Å; N352-F389 WeakPolarHBondContact OD1-CD1 3.14Å; N352-F389 PolarHBondContact OD1-O 2.57Å; H354-F389 AromaticContact ND1-CE1 3.88Å; K372-F389 HydrophobicContact CB-CE2 3.95Å; K372-F389 HydrophobicContact CB-CZ 3.83Å; K372-F389 HydrophobicContact CD-CD2 4.2Å; K372-F389 HydrophobicContact CD-CE2 4.19Å; K372-F389 HydrophobicContact CD-CG 4.41Å; K372-F389 HydrophobicContact CD-CZ 4.39Å; K372-F389 HydrophobicContact CG-CE1 4.18Å; K372-F389 HydrophobicContact CG-CE2 4.13Å; K372-F389 HydrophobicContact CG-CZ 3.9Å; P387-F389 HydrophobicContact CB-CD1 4.06Å; P387-F389 HydrophobicContact CB-CD2 4.33Å; P387-F389 HydrophobicContact CB-CE1 3.67Å; P387-F389 HydrophobicContact CB-CE2 3.95Å; P387-F389 HydrophobicContact CB-CG 4.39Å; P387-F389 HydrophobicContact CB-CZ 3.62Å; P387-F389 HydrophobicContact CG-CE1 4.3Å; P387-F389 HydrophobicContact CG-CE2 4.44Å; P387-F389 HydrophobicContact CG-CZ 3.94Å; P387-F389 PolarHBondContact O-N 2.87Å
390	N	96.7	Very high	96	Very high	114 Å²	114	61.5 Å²	61.5	61%	0.61	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	0.3	-179.1	-60.8	-20.2	0	0	0	113.8	A388 S393 T394	A388-N390 PolarHBondContact O-N 3.07Å; N390-S393 PolarHBondContact O-OG 2.79Å; N390-T394 VanDerWaalsContact O-CB 3.3Å; N390-T394 WeakPolarHBondContact O-CB 3.33Å; N390-T394 PolarHBondContact O-N 3.1Å; N390-T394 PolarHBondContact O-OG1 2.8Å
391	Q	96.7	Very high	96	Very high	66 Å²	66	57 Å²	57	31%	0.308	31%	0.307	S	S	.	.	H	α-helix	trans	-64.4	-49.9	-173.3	-176.6	169.8	-77.7	0	0	111.5	A388 T394 F395	A388-Q391 HydrophobicContact CB-CB 3.94Å; A388-Q391 VanDerWaalsContact O-CB 3.28Å; A388-Q391 WeakPolarHBondContact O-CB 3.34Å; A388-Q391 PolarHBondContact O-N 3.36Å; Q391-T394 WeakPolarHBondContact O-CB 3.41Å; Q391-T394 PolarHBondContact O-N 3.04Å; Q391-F395 HydrophobicContact CG-CD2 3.93Å; Q391-F395 HydrophobicContact CG-CE2 3.63Å; Q391-F395 HydrophobicContact CG-CZ 4.1Å; Q391-F395 WeakPolarHBondContact O-CG 3.45Å; Q391-F395 PolarHBondContact O-N 3.14Å
392	L	97	Very high	95.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-69.5	-37.7	-177.9	-73.3	-178.7	0	0	0	113.3	I125 V186 A187 E350 M351 T394 F395 Y396 G397	I125-L392 HydrophobicContact CD1-CD1 4.03Å; I125-L392 HydrophobicContact CD1-CD2 3.71Å; I125-L392 HydrophobicContact CD1-CG 4.47Å; V186-L392 HydrophobicContact CG1-CD1 3.64Å; A187-L392 HydrophobicContact CB-CB 4.08Å; E350-L392 WeakPolarHBondContact O-CD1 3.41Å; E350-L392 VanDerWaalsContact O-CG 3.25Å; E350-L392 WeakPolarHBondContact O-CG 3.38Å; M351-L392 HydrophobicContact CG-CD1 4.49Å; L392-T394 VanDerWaalsContact C-N 3.27Å; L392-T394 PolarHBondContact O-N 3.15Å; L392-F395 PolarHBondContact O-N 3.22Å; L392-Y396 HydrophobicContact CD2-CD2 3.86Å; L392-Y396 HydrophobicContact CD2-CE2 4.26Å; L392-Y396 CarbonylContact O-C 3.5Å; L392-Y396 WeakPolarHBondContact O-CA 3.27Å; L392-Y396 PolarHBondContact O-N 3.28Å; L392-G397 PolarHBondContact O-N 3.33Å
393	S	96.1	Very high	95.7	Very high	37 Å²	37	54.1 Å²	54.1	26%	0.259	31%	0.313	S	S	.	.	H	α-helix	trans	-65.8	-31.2	171.3	42	0	0	0	0	112.4	A187 N390 G397	A187-S393 VanDerWaalsContact O-CB 3.31Å; A187-S393 WeakPolarHBondContact O-CB 3.3Å; A187-S393 PolarHBondContact O-OG 3.14Å; N390-S393 PolarHBondContact O-OG 2.79Å; S393-G397 VanDerWaalsContact O-CA 3.27Å; S393-G397 WeakPolarHBondContact O-CA 2.96Å; S393-G397 PolarHBondContact O-N 3.42Å
394	T	95.8	Very high	95.7	Very high	104 Å²	104	54.4 Å²	54.4	64%	0.638	32%	0.316	S	S	*	.	H	α-helix	trans	-69	-42.3	174.3	-58.8	0	0	0	0	112	N390 Q391 L392	N390-T394 VanDerWaalsContact O-CB 3.3Å; N390-T394 WeakPolarHBondContact O-CB 3.33Å; N390-T394 PolarHBondContact O-N 3.1Å; N390-T394 PolarHBondContact O-OG1 2.8Å; Q391-T394 WeakPolarHBondContact O-CB 3.41Å; Q391-T394 PolarHBondContact O-N 3.04Å; L392-T394 VanDerWaalsContact C-N 3.27Å; L392-T394 PolarHBondContact O-N 3.15Å
395	F	94.7	Very high	95.7	Very high	97 Å²	97	53 Å²	53	43%	0.425	30%	0.296	S	S	.	.	H	α-helix	trans	-88	-32.5	-174.9	-64.7	-9.5	0	0	0	113.4	D126 Q391 L392	D126-F395 WeakPolarHBondContact OD2-CE2 3.43Å; Q391-F395 HydrophobicContact CG-CD2 3.93Å; Q391-F395 HydrophobicContact CG-CE2 3.63Å; Q391-F395 HydrophobicContact CG-CZ 4.1Å; Q391-F395 WeakPolarHBondContact O-CG 3.45Å; Q391-F395 PolarHBondContact O-N 3.14Å; L392-F395 PolarHBondContact O-N 3.22Å
396	Y	95.5	Very high	95.7	Very high	9 Å²	9	53 Å²	53	4%	0.035	30%	0.295	C	S	.	.	H	α-helix	trans	-141.4	20.8	-168.8	-52.3	-72.9	0	0	0	113.9	I125 D126 L129 Y164 L392 I400 W401	I125-Y396 HydrophobicContact CG2-CE2 4.4Å; D126-Y396 PolarHBondContact OD1-OH 2.88Å; L129-Y396 WeakPolarHBondContact CD1-OH 3.28Å; Y164-Y396 AromaticContact CD1-CD1 3.34Å; Y164-Y396 HydrophobicContact CD1-CD1 3.34Å; Y164-Y396 HydrophobicContact CD1-CD2 4.09Å; Y164-Y396 AromaticContact CD1-CE1 3.88Å; Y164-Y396 HydrophobicContact CD1-CE1 3.88Å; Y164-Y396 AromaticContact CD1-CG 3.48Å; Y164-Y396 HydrophobicContact CD1-CG 3.48Å; Y164-Y396 VanDerWaalsContact CD1-CG 3.48Å; Y164-Y396 HydrophobicContact CD2-CD2 4.31Å; Y164-Y396 HydrophobicContact CD2-CE2 4.29Å; Y164-Y396 HydrophobicContact CD2-CG 4.49Å; Y164-Y396 AromaticContact CE1-CD1 3.85Å; Y164-Y396 HydrophobicContact CE1-CD1 3.85Å; Y164-Y396 HydrophobicContact CE1-CD2 4Å; Y164-Y396 AromaticContact CE1-CG 3.47Å; Y164-Y396 HydrophobicContact CE1-CG 3.47Å; Y164-Y396 VanDerWaalsContact CE1-CG 3.47Å; Y164-Y396 HydrophobicContact CE2-CD2 4.18Å; Y164-Y396 HydrophobicContact CE2-CG 4.46Å; Y164-Y396 AromaticContact CG-CD1 3.82Å; Y164-Y396 HydrophobicContact CG-CD1 3.82Å; Y164-Y396 HydrophobicContact CG-CD2 4.27Å; Y164-Y396 AromaticContact CG-CE1 3.86Å; Y164-Y396 HydrophobicContact CG-CE1 3.86Å; Y164-Y396 HydrophobicContact CG-CE2 4.32Å; Y164-Y396 HydrophobicContact CG-CG 4.05Å; Y164-Y396 AromaticContact CZ-CG 3.98Å; L392-Y396 HydrophobicContact CD2-CD2 3.86Å; L392-Y396 HydrophobicContact CD2-CE2 4.26Å; L392-Y396 CarbonylContact O-C 3.5Å; L392-Y396 WeakPolarHBondContact O-CA 3.27Å; L392-Y396 PolarHBondContact O-N 3.28Å; Y396-I400 HydrophobicContact CD1-CD1 3.95Å; Y396-W401 WeakPolarHBondContact O-CZ2 3.38Å
397	G	91.4	Very high	95.7	Very high	11 Å²	11	48.7 Å²	48.7	11%	0.113	27%	0.269	C	S	.	.			trans	-64.3	166.8	177.9	0	0	0	0	0	113.9	E189 L392 S393 N399 I400	E189-G397 WeakPolarHBondContact OE1-CA 3.49Å; L392-G397 PolarHBondContact O-N 3.33Å; S393-G397 VanDerWaalsContact O-CA 3.27Å; S393-G397 WeakPolarHBondContact O-CA 2.96Å; S393-G397 PolarHBondContact O-N 3.42Å; G397-N399 PolarHBondContact O-N 3.36Å; G397-I400 VanDerWaalsContact O-CG2 3.28Å; G397-I400 WeakPolarHBondContact O-CG2 3.01Å; G397-I400 PolarHBondContact O-N 2.03Å
398	D	88.1	Confident	95.8	Very high	39 Å²	39	48.2 Å²	48.2	21%	0.209	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-33.5	-165.3	-90.6	-15.8	0	0	0	116.6	R184 E189 I400 W401	R184-D398 IonicContact CZ-OD2 2.73Å; R184-D398 IonicContact NE-OD1 3.79Å; R184-D398 PolarHBondContact NE-OD1 2.95Å; R184-D398 VanDerWaalsContact NE-OD1 3.09Å; R184-D398 IonicContact NE-OD2 3.63Å; R184-D398 PolarHBondContact NE-OD2 3.3Å; R184-D398 VanDerWaalsContact NE-OD2 3.16Å; R184-D398 IonicContact NH2-OD2 2.88Å; R184-D398 PolarHBondContact NH2-OD2 2.94Å; E189-D398 PolarHBondContact OE1-N 3.36Å; E189-D398 PolarHBondContact OE2-N 2.93Å; D398-I400 VanDerWaalsContact C-N 3.3Å; D398-I400 PolarHBondContact O-N 2.76Å; D398-W401 PolarHBondContact O-N 3.37Å
399	N	90.9	Very high	95.8	Very high	113 Å²	113	46.4 Å²	46.4	60%	0.604	25%	0.251	S	S	*	.	H	α-helix	trans	-69.7	-23.2	-178.4	-72.4	-33.6	0	0	0	114.1	G397 W401 K402	G397-N399 PolarHBondContact O-N 3.36Å; N399-W401 PolarHBondContact O-N 2.93Å; N399-K402 PolarHBondContact O-N 2.92Å; N399-K402 PolarHBondContact OD1-NZ 3.12Å
400	I	95.7	Very high	95.9	Very high	40 Å²	40	44.9 Å²	44.9	21%	0.205	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-33.5	178.7	-162	174.6	0	0	0	111.3	A167 Y396 G397 D398 K402 T403 S404	A167-I400 HydrophobicContact CB-CD1 3.84Å; A167-I400 HydrophobicContact CB-CG1 4.28Å; Y396-I400 HydrophobicContact CD1-CD1 3.95Å; G397-I400 VanDerWaalsContact O-CG2 3.28Å; G397-I400 WeakPolarHBondContact O-CG2 3.01Å; G397-I400 PolarHBondContact O-N 2.03Å; D398-I400 VanDerWaalsContact C-N 3.3Å; D398-I400 PolarHBondContact O-N 2.76Å; I400-K402 PolarHBondContact O-N 2.96Å; I400-T403 CarbonylContact O-C 3.54Å; I400-T403 PolarHBondContact O-N 2.92Å; I400-T403 PolarHBondContact O-OG1 2.98Å; I400-S404 WeakPolarHBondContact O-CB 3.42Å; I400-S404 PolarHBondContact O-N 3.33Å; I400-S404 PolarHBondContact O-OG 2.91Å
401	W	96.6	Very high	96	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	22%	0.215	C	C	.	.	H	α-helix	trans	-68.7	-34.4	-177.4	-47.8	128.7	0	0	0	112.5	A163 Y164 A167 V183 Y396 D398 N399 T403 S404 I407 F409 I422 Q426	A163-W401 HydrophobicContact CB-CH2 3.94Å; A163-W401 HydrophobicContact CB-CZ3 3.88Å; Y164-W401 AromaticContact CD1-CH2 3.59Å; Y164-W401 HydrophobicContact CD1-CH2 3.59Å; Y164-W401 HydrophobicContact CD1-CZ2 4.38Å; Y164-W401 HydrophobicContact CD1-CZ3 4.48Å; Y164-W401 AromaticContact CE1-CH2 3.52Å; Y164-W401 HydrophobicContact CE1-CH2 3.52Å; Y164-W401 AromaticContact CE1-CZ2 3.87Å; Y164-W401 HydrophobicContact CE1-CZ2 3.87Å; A167-W401 HydrophobicContact CB-CZ3 4.42Å; V183-W401 HydrophobicContact CB-CZ2 3.87Å; V183-W401 HydrophobicContact CG1-CH2 4.29Å; V183-W401 HydrophobicContact CG1-CZ2 3.95Å; V183-W401 HydrophobicContact CG2-CZ2 3.98Å; Y396-W401 WeakPolarHBondContact O-CZ2 3.38Å; D398-W401 PolarHBondContact O-N 3.37Å; N399-W401 PolarHBondContact O-N 2.93Å; W401-T403 VanDerWaalsContact C-N 3.28Å; W401-T403 PolarHBondContact O-N 3.33Å; W401-S404 PolarHBondContact O-N 3.39Å; W401-I407 HydrophobicContact CE3-CD1 4.27Å; W401-I407 HydrophobicContact CZ3-CD1 4.3Å; W401-F409 HydrophobicContact CD2-CE2 4.33Å; W401-F409 AromaticContact CD2-CZ 3.98Å; W401-F409 HydrophobicContact CD2-CZ 3.98Å; W401-F409 HydrophobicContact CE3-CE2 4.25Å; W401-F409 AromaticContact CE3-CZ 3.83Å; W401-F409 HydrophobicContact CE3-CZ 3.83Å; W401-F409 HydrophobicContact CH2-CZ 4.3Å; W401-F409 HydrophobicContact CZ2-CZ 4.49Å; W401-F409 HydrophobicContact CZ3-CZ 4.01Å; W401-I422 HydrophobicContact CG-CD1 4.42Å; W401-Q426 HydrophobicContact CB-CB 4.08Å; W401-Q426 HydrophobicContact CB-CG 3.8Å
402	K	95.4	Very high	96	Very high	117 Å²	117	36.3 Å²	36.3	51%	0.509	20%	0.201	S	C	.	.	H	α-helix	trans	-68.5	-28	175.9	-62.4	174.5	-173.9	162.7	0	112.8	N399 I400 Q426	N399-K402 PolarHBondContact O-N 2.92Å; N399-K402 PolarHBondContact OD1-NZ 3.12Å; I400-K402 PolarHBondContact O-N 2.96Å; K402-Q426 HydrophobicContact CG-CB 4.42Å
403	T	94.6	Very high	96.1	Very high	119 Å²	119	39.4 Å²	39.4	73%	0.73	22%	0.218	S	C	*	.	H	α-helix	trans	-95.9	-6.6	176.5	55.7	0	0	0	0	113.5	I400 W401	I400-T403 CarbonylContact O-C 3.54Å; I400-T403 PolarHBondContact O-N 2.92Å; I400-T403 PolarHBondContact O-OG1 2.98Å; W401-T403 VanDerWaalsContact C-N 3.28Å; W401-T403 PolarHBondContact O-N 3.33Å
404	S	97.2	Very high	96.1	Very high	16 Å²	16	39.2 Å²	39.2	11%	0.112	21%	0.213	C	C	.	.			trans	-83.2	177	177.3	-68.5	0	0	0	0	111.2	I400 W401	I400-S404 WeakPolarHBondContact O-CB 3.42Å; I400-S404 PolarHBondContact O-N 3.33Å; I400-S404 PolarHBondContact O-OG 2.91Å; W401-S404 PolarHBondContact O-N 3.39Å
405	S	97.5	Very high	96.3	Very high	32 Å²	32	34.4 Å²	34.4	22%	0.224	18%	0.184	C	C	.	.			trans	-154.8	158.5	176.7	50.7	0	0	0	0	110.7	R166	R166-S405 WeakPolarHBondContact CG-O 3.49Å; R166-S405 PolarHBondContact NE-O 3.49Å; R166-S405 PolarHBondContact NH2-OG 3.38Å
406	N	98.4	Very high	96.4	Very high	25 Å²	25	29.8 Å²	29.8	13%	0.134	16%	0.163	C	C	.	.	S	Bend	trans	56	49.4	176.9	-57	-0.1	0	0	0	112.1	K174 G175 A176 K429 W469	K174-N406 WeakPolarHBondContact O-CB 3.47Å; K174-N406 PolarHBondContact O-ND2 2.77Å; G175-N406 CarbonylContact C-O 3.47Å; G175-N406 WeakPolarHBondContact CA-O 3.42Å; A176-N406 PolarHBondContact N-O 2.99Å; N406-K429 VanDerWaalsContact CA-O 3.25Å; N406-K429 WeakPolarHBondContact CA-O 3.06Å; N406-K429 PolarHBondContact N-O 3.49Å; N406-W469 HydrophobicContact CB-CD2 3.94Å; N406-W469 HydrophobicContact CB-CG 4.19Å; N406-W469 HydrophobicContact CB-CZ2 3.97Å; N406-W469 WeakPolarHBondContact O-CH2 3.36Å
407	I	98.8	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.2	173.4	-56.3	173	0	0	0	107.8	A163 R166 A176 A178 W401 F409 K429 V430 I431	A163-I407 HydrophobicContact CB-CG2 4.43Å; R166-I407 HydrophobicContact CB-CD1 4.2Å; R166-I407 HydrophobicContact CB-CG1 4.03Å; R166-I407 HydrophobicContact CG-CD1 3.99Å; R166-I407 HydrophobicContact CG-CG1 3.58Å; A176-I407 HydrophobicContact CB-CG1 4.47Å; A176-I407 CarbonylContact O-C 3.32Å; A176-I407 WeakPolarHBondContact O-CA 3.47Å; A178-I407 HydrophobicContact CB-CG2 4.46Å; W401-I407 HydrophobicContact CE3-CD1 4.27Å; W401-I407 HydrophobicContact CZ3-CD1 4.3Å; I407-F409 HydrophobicContact CB-CE2 4.35Å; I407-F409 HydrophobicContact CG2-CD2 3.88Å; I407-F409 HydrophobicContact CG2-CE1 4.28Å; I407-F409 HydrophobicContact CG2-CE2 3.56Å; I407-F409 HydrophobicContact CG2-CG 4.38Å; I407-F409 HydrophobicContact CG2-CZ 3.79Å; I407-K429 PolarHBondContact N-O 2.82Å; I407-V430 HydrophobicContact CB-CG1 4.18Å; I407-V430 HydrophobicContact CB-CG2 4.31Å; I407-V430 VanDerWaalsContact O-CA 3.32Å; I407-V430 WeakPolarHBondContact O-CA 3.19Å; I407-I431 PolarHBondContact O-N 3.32Å
408	I	98.9	Very high	96.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	123.1	166.6	-60.1	161.4	0	0	0	106.6	A176 L177 A178 I431 L433 E462 T465 I466 W469	A176-I408 PolarHBondContact O-N 2.74Å; L177-I408 HydrophobicContact CD1-CB 3.76Å; L177-I408 HydrophobicContact CD1-CG2 3.64Å; A178-I408 PolarHBondContact N-O 3.1Å; I408-I431 WeakPolarHBondContact CA-O 3.45Å; I408-I431 HydrophobicContact CB-CG1 4.42Å; I408-I431 HydrophobicContact CG1-CD1 4.11Å; I408-I431 HydrophobicContact CG1-CG1 3.89Å; I408-I431 HydrophobicContact CG2-CG1 4.41Å; I408-L433 HydrophobicContact CG2-CD1 3.73Å; I408-L433 HydrophobicContact CG2-CG 4.11Å; I408-E462 HydrophobicContact CD1-CB 4.41Å; I408-E462 HydrophobicContact CD1-CG 4.32Å; I408-E462 HydrophobicContact CG2-CG 4.24Å; I408-T465 HydrophobicContact CD1-CG2 3.73Å; I408-T465 HydrophobicContact CG1-CG2 4.03Å; I408-I466 HydrophobicContact CD1-CG1 4.47Å; I408-W469 HydrophobicContact CD1-CH2 3.64Å; I408-W469 HydrophobicContact CD1-CZ2 4.05Å; I408-W469 HydrophobicContact CD1-CZ3 4.38Å; I408-W469 HydrophobicContact CG1-CH2 3.65Å; I408-W469 HydrophobicContact CG1-CZ2 3.86Å
409	F	98.7	Very high	97.2	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	111.4	166.2	-70.3	-77.7	0	0	0	108.6	A163 A178 V183 W401 I407 I422 V430 I431 S432 L433	A163-F409 HydrophobicContact CB-CE1 3.82Å; A163-F409 HydrophobicContact CB-CZ 3.89Å; A178-F409 HydrophobicContact CB-CD1 3.74Å; A178-F409 HydrophobicContact CB-CE1 3.85Å; A178-F409 WeakPolarHBondContact O-CA 3.14Å; V183-F409 HydrophobicContact CG1-CE1 4.32Å; V183-F409 HydrophobicContact CG2-CE1 4.36Å; W401-F409 HydrophobicContact CD2-CE2 4.33Å; W401-F409 AromaticContact CD2-CZ 3.98Å; W401-F409 HydrophobicContact CD2-CZ 3.98Å; W401-F409 HydrophobicContact CE3-CE2 4.25Å; W401-F409 AromaticContact CE3-CZ 3.83Å; W401-F409 HydrophobicContact CE3-CZ 3.83Å; W401-F409 HydrophobicContact CH2-CZ 4.3Å; W401-F409 HydrophobicContact CZ2-CZ 4.49Å; W401-F409 HydrophobicContact CZ3-CZ 4.01Å; I407-F409 HydrophobicContact CB-CE2 4.35Å; I407-F409 HydrophobicContact CG2-CD2 3.88Å; I407-F409 HydrophobicContact CG2-CE1 4.28Å; I407-F409 HydrophobicContact CG2-CE2 3.56Å; I407-F409 HydrophobicContact CG2-CG 4.38Å; I407-F409 HydrophobicContact CG2-CZ 3.79Å; F409-I422 HydrophobicContact CB-CB 4.04Å; F409-I422 HydrophobicContact CD1-CB 4.22Å; F409-I422 HydrophobicContact CD1-CG1 4.07Å; F409-I422 HydrophobicContact CD2-CB 3.7Å; F409-I422 HydrophobicContact CD2-CG1 3.88Å; F409-I422 HydrophobicContact CD2-CG2 4.04Å; F409-I422 HydrophobicContact CE1-CG1 4Å; F409-I422 HydrophobicContact CE2-CB 4.14Å; F409-I422 HydrophobicContact CE2-CG1 3.8Å; F409-I422 HydrophobicContact CE2-CG2 4.44Å; F409-I422 HydrophobicContact CG-CB 3.74Å; F409-I422 HydrophobicContact CG-CG1 4.01Å; F409-I422 HydrophobicContact CZ-CG1 3.86Å; F409-V430 HydrophobicContact CD2-CG1 4.05Å; F409-V430 HydrophobicContact CE2-CG1 3.8Å; F409-I431 PolarHBondContact N-O 2.88Å; F409-S432 CarbonylContact O-C 3.6Å; F409-S432 VanDerWaalsContact O-CA 3.25Å; F409-S432 WeakPolarHBondContact O-CA 3.3Å; F409-L433 PolarHBondContact O-N 2.8Å
410	S	98.7	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.3	175.7	50.2	0	0	0	0	109.6	A178 S179 S180 L433 D443 E462	A178-S410 PolarHBondContact O-N 3.11Å; S179-S410 CarbonylContact C-O 3.53Å; S179-S410 VanDerWaalsContact CA-OG 3.26Å; S179-S410 WeakPolarHBondContact CA-OG 3.4Å; S179-S410 WeakPolarHBondContact CB-OG 3.45Å; S180-S410 PolarHBondContact N-O 3.44Å; S410-L433 CarbonylContact C-O 3.55Å; S410-L433 WeakPolarHBondContact CA-O 3.33Å; S410-D443 PolarHBondContact OG-OD2 3.4Å; S410-E462 WeakPolarHBondContact CB-OE1 3.29Å
411	N	98.6	Very high	97.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	133.8	178.5	-60.5	-90.6	0	0	0	110.9	M418 I422 L423 L433 V434 L435	N411-M418 HydrophobicContact CB-CB 4.43Å; N411-M418 HydrophobicContact CB-CE 4.44Å; N411-M418 HydrophobicContact CB-CG 3.91Å; N411-I422 PolarHBondContact ND2-O 2.04Å; N411-L423 HydrophobicContact CB-CD2 3.91Å; N411-L433 PolarHBondContact N-O 2.95Å; N411-V434 CarbonylContact O-C 3.06Å; N411-V434 VanDerWaalsContact O-CA 3.28Å; N411-V434 WeakPolarHBondContact O-CA 3.4Å; N411-L435 PolarHBondContact O-N 2.97Å
412	G	98.3	Very high	97.7	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	143.1	174	0	0	0	0	0	112.5	L414 D415 G438	G412-L414 VanDerWaalsContact C-N 3.33Å; G412-D415 VanDerWaalsContact O-CB 3.32Å; G412-D415 WeakPolarHBondContact O-CB 3.28Å; G412-D415 PolarHBondContact O-N 3.2Å; G412-G438 CarbonylContact C-O 3.55Å; G412-G438 WeakPolarHBondContact CA-O 3.39Å
413	N	97.2	Very high	97.7	Very high	66 Å²	66	21 Å²	21	35%	0.353	13%	0.125	S	C	.	.	S	Bend	trans	-81.2	-8.3	-179.1	76.7	-8.4	0	0	0	115	M418 V434 L435 D436 G437 G438	N413-M418 HydrophobicContact CB-SD 4.14Å; N413-V434 HydrophobicContact CB-CG1 4.45Å; N413-L435 PolarHBondContact N-O 3.37Å; N413-L435 PolarHBondContact OD1-O 3.44Å; N413-D436 WeakPolarHBondContact ND2-CA 3.4Å; N413-D436 PolarHBondContact ND2-OD1 2.63Å; N413-G437 PolarHBondContact OD1-N 2.91Å; N413-G438 PolarHBondContact N-O 3.21Å
414	L	98.1	Very high	97.8	Very high	33 Å²	33	19.9 Å²	19.9	17%	0.173	12%	0.118	C	C	.	.	S	Bend	trans	-90.3	-15.7	167.2	-54.4	178.4	0	0	0	111.4	D269 G412 P416 G438	D269-L414 HydrophobicContact CB-CD1 4.46Å; G412-L414 VanDerWaalsContact C-N 3.33Å; L414-P416 WeakPolarHBondContact O-CD 3.32Å; L414-G438 WeakPolarHBondContact CB-O 3.43Å; L414-G438 PolarHBondContact N-O 3.43Å
415	D	98.3	Very high	97.9	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.011	14%	0.138	C	C	.	.			trans	-73.1	116	179.2	-179	8.2	0	0	0	111	S180 G412 W417 M418 G438 H440	S180-D415 WeakPolarHBondContact CB-OD2 3.48Å; S180-D415 PolarHBondContact OG-OD2 2.98Å; G412-D415 VanDerWaalsContact O-CB 3.32Å; G412-D415 WeakPolarHBondContact O-CB 3.28Å; G412-D415 PolarHBondContact O-N 3.2Å; D415-W417 PolarHBondContact O-N 3.45Å; D415-W417 VanDerWaalsContact O-N 3.1Å; D415-W417 WeakPolarHBondContact OD1-CB 3.3Å; D415-W417 PolarHBondContact OD1-N 2.95Å; D415-M418 WeakPolarHBondContact O-CB 3.38Å; D415-M418 PolarHBondContact O-N 2.85Å; D415-G438 PolarHBondContact N-O 3.12Å; D415-H440 HydrophobicContact CB-CB 4.4Å; D415-H440 IonicContact OD1-CE1 3.46Å; D415-H440 IonicContact OD1-CG 3.5Å; D415-H440 IonicContact OD1-ND1 2.77Å; D415-H440 PolarHBondContact OD1-ND1 2.81Å; D415-H440 IonicContact OD2-CE1 2.9Å; D415-H440 IonicContact OD2-CG 3.34Å; D415-H440 IonicContact OD2-ND1 3.61Å; D415-H440 PolarHBondContact OD2-ND1 3.28Å
416	P	98.1	Very high	97.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-65.4	-16.8	179.2	29	-35.5	0	0	0	112.8	W185 F195 V199 A266 M267 L414 M418	W185-P416 VanDerWaalsContact CH2-O 3.28Å; W185-P416 WeakPolarHBondContact CH2-O 3.18Å; W185-P416 VanDerWaalsContact CZ3-O 3.25Å; W185-P416 WeakPolarHBondContact CZ3-O 3.5Å; F195-P416 HydrophobicContact CD2-CB 3.73Å; F195-P416 HydrophobicContact CD2-CG 4.27Å; F195-P416 VanDerWaalsContact CD2-O 3.28Å; F195-P416 WeakPolarHBondContact CD2-O 3.46Å; F195-P416 HydrophobicContact CE2-CB 3.61Å; F195-P416 HydrophobicContact CE2-CG 3.63Å; F195-P416 HydrophobicContact CG-CB 4.36Å; F195-P416 HydrophobicContact CZ-CB 4.16Å; F195-P416 HydrophobicContact CZ-CG 4.02Å; V199-P416 HydrophobicContact CG2-CB 3.52Å; V199-P416 HydrophobicContact CG2-CG 3.96Å; A266-P416 HydrophobicContact CB-CG 4.42Å; M267-P416 HydrophobicContact CB-CG 4.45Å; M267-P416 HydrophobicContact CG-CG 3.45Å; M267-P416 VanDerWaalsContact CG-CG 3.45Å; L414-P416 WeakPolarHBondContact O-CD 3.32Å; P416-M418 VanDerWaalsContact C-N 3.29Å; P416-M418 PolarHBondContact O-N 3.3Å
417	W	98.1	Very high	97.7	Very high	13 Å²	13	25 Å²	25	5%	0.049	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-75.8	-11	174.4	-67.4	99.5	0	0	0	114.6	P182 W185 F192 F195 M267 T332 L353 D415 G419 G420 H440	P182-W417 HydrophobicContact CB-CB 4.44Å; P182-W417 HydrophobicContact CB-CD2 4.47Å; P182-W417 HydrophobicContact CB-CE3 3.68Å; P182-W417 HydrophobicContact CB-CZ3 4.38Å; P182-W417 HydrophobicContact CG-CD2 4.47Å; P182-W417 HydrophobicContact CG-CE3 3.88Å; P182-W417 HydrophobicContact CG-CZ3 4.4Å; W185-W417 AromaticContact CE3-CE3 3.95Å; W185-W417 HydrophobicContact CE3-CE3 3.95Å; W185-W417 HydrophobicContact CE3-CZ3 4.38Å; W185-W417 HydrophobicContact CZ3-CE3 4.28Å; F192-W417 HydrophobicContact CE2-CH2 4.26Å; F192-W417 AromaticContact CE2-CZ3 3.86Å; F192-W417 HydrophobicContact CE2-CZ3 3.86Å; F192-W417 AromaticContact CZ-CH2 3.97Å; F192-W417 HydrophobicContact CZ-CH2 3.97Å; F192-W417 AromaticContact CZ-CZ3 3.95Å; F192-W417 HydrophobicContact CZ-CZ3 3.95Å; F195-W417 HydrophobicContact CD2-CD2 4.06Å; F195-W417 HydrophobicContact CD2-CE3 4.29Å; F195-W417 HydrophobicContact CD2-CG 4.38Å; F195-W417 AromaticContact CE2-CD1 3.81Å; F195-W417 AromaticContact CE2-CD2 3.67Å; F195-W417 HydrophobicContact CE2-CD2 3.67Å; F195-W417 AromaticContact CE2-CE2 3.42Å; F195-W417 VanDerWaalsContact CE2-CE2 3.42Å; F195-W417 HydrophobicContact CE2-CE3 4.28Å; F195-W417 AromaticContact CE2-CG 3.93Å; F195-W417 HydrophobicContact CE2-CG 3.93Å; F195-W417 HydrophobicContact CE2-CH2 4.45Å; F195-W417 AromaticContact CE2-CZ2 3.86Å; F195-W417 HydrophobicContact CE2-CZ2 3.86Å; F195-W417 AromaticContact CE2-NE1 3.5Å; F195-W417 HydrophobicContact CZ-CZ2 4.17Å; M267-W417 PolarHBondContact SD-NE1 3.01Å; T332-W417 HydrophobicContact CG2-CZ2 4.36Å; L353-W417 HydrophobicContact CD2-CH2 3.86Å; L353-W417 HydrophobicContact CD2-CZ3 3.98Å; D415-W417 PolarHBondContact O-N 3.45Å; D415-W417 VanDerWaalsContact O-N 3.1Å; D415-W417 WeakPolarHBondContact OD1-CB 3.3Å; D415-W417 PolarHBondContact OD1-N 2.95Å; W417-G419 VanDerWaalsContact C-N 3.28Å; W417-G419 PolarHBondContact O-N 3.35Å; W417-G420 PolarHBondContact O-N 3.23Å; W417-H440 AromaticContact CD1-CE1 3.5Å; W417-H440 VanDerWaalsContact CD1-CE1 3.5Å; W417-H440 AromaticContact CD1-ND1 3.63Å; W417-H440 AromaticContact CG-CE1 3.9Å
418	M	97.6	Very high	97.6	Very high	33 Å²	33	34.2 Å²	34.2	16%	0.163	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-52.7	-41.8	-174.2	177.4	-176.2	-160.4	0	0	113.2	N411 N413 D415 P416 G420 G421 L423 V434	N411-M418 HydrophobicContact CB-CB 4.43Å; N411-M418 HydrophobicContact CB-CE 4.44Å; N411-M418 HydrophobicContact CB-CG 3.91Å; N413-M418 HydrophobicContact CB-SD 4.14Å; D415-M418 WeakPolarHBondContact O-CB 3.38Å; D415-M418 PolarHBondContact O-N 2.85Å; P416-M418 VanDerWaalsContact C-N 3.29Å; P416-M418 PolarHBondContact O-N 3.3Å; M418-G420 PolarHBondContact O-N 3.06Å; M418-G421 PolarHBondContact O-N 3.45Å; M418-L423 HydrophobicContact CE-CD1 4.31Å; M418-L423 HydrophobicContact CE-CD2 3.76Å; M418-L423 HydrophobicContact CG-CD1 4.1Å; M418-L423 HydrophobicContact CG-CD2 3.59Å; M418-L423 HydrophobicContact CG-CG 4.48Å; M418-L423 WeakPolarHBondContact O-CD2 3.47Å; M418-V434 HydrophobicContact CE-CB 4.1Å; M418-V434 HydrophobicContact CE-CG1 3.41Å; M418-V434 VanDerWaalsContact CE-CG1 3.41Å; M418-V434 HydrophobicContact CE-CG2 3.55Å
419	G	96.1	Very high	97.4	Very high	26 Å²	26	40.2 Å²	40.2	27%	0.268	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-63	-23.3	-178.6	0	0	0	0	0	113.9	W185 W417	W185-G419 VanDerWaalsContact CE2-C 3.43Å; W185-G419 VanDerWaalsContact CZ2-CA 3.43Å; W417-G419 VanDerWaalsContact C-N 3.28Å; W417-G419 PolarHBondContact O-N 3.35Å
420	G	97.3	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-84	-8.8	174.1	0	0	0	0	0	114	P182 V183 R184 W185 W417 M418	P182-G420 CarbonylContact C-O 3.58Å; P182-G420 VanDerWaalsContact CA-O 3.32Å; P182-G420 WeakPolarHBondContact CA-O 3.44Å; V183-G420 PolarHBondContact N-O 2.89Å; R184-G420 VanDerWaalsContact CB-O 3.3Å; R184-G420 WeakPolarHBondContact CB-O 3.38Å; R184-G420 WeakPolarHBondContact CG-O 3.41Å; R184-G420 PolarHBondContact N-O 2.82Å; W185-G420 VanDerWaalsContact CD2-N 3.33Å; W185-G420 VanDerWaalsContact CE2-N 3.25Å; W185-G420 VanDerWaalsContact CG-CA 3.4Å; W417-G420 PolarHBondContact O-N 3.23Å; M418-G420 PolarHBondContact O-N 3.06Å
421	G	97.4	Very high	97.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	22%	0.22	C	C	.	.	S	Bend	trans	-84.8	-179.3	179.7	0	0	0	0	0	114.1	A181 R184 M418	A181-G421 WeakPolarHBondContact O-CA 3.47Å; R184-G421 VanDerWaalsContact CD-O 3.31Å; R184-G421 WeakPolarHBondContact CD-O 3.5Å; M418-G421 PolarHBondContact O-N 3.45Å
422	I	97.4	Very high	97.4	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.015	23%	0.225	C	C	.	.			trans	-94	106.8	170.9	-51.8	-57.4	0	0	0	108.4	V183 R184 W401 F409 N411 T424 Q426 S432	V183-I422 HydrophobicContact CG2-CD1 3.63Å; V183-I422 HydrophobicContact CG2-CG1 3.65Å; R184-I422 HydrophobicContact CG-CD1 3.77Å; W401-I422 HydrophobicContact CG-CD1 4.42Å; F409-I422 HydrophobicContact CB-CB 4.04Å; F409-I422 HydrophobicContact CD1-CB 4.22Å; F409-I422 HydrophobicContact CD1-CG1 4.07Å; F409-I422 HydrophobicContact CD2-CB 3.7Å; F409-I422 HydrophobicContact CD2-CG1 3.88Å; F409-I422 HydrophobicContact CD2-CG2 4.04Å; F409-I422 HydrophobicContact CE1-CG1 4Å; F409-I422 HydrophobicContact CE2-CB 4.14Å; F409-I422 HydrophobicContact CE2-CG1 3.8Å; F409-I422 HydrophobicContact CE2-CG2 4.44Å; F409-I422 HydrophobicContact CG-CB 3.74Å; F409-I422 HydrophobicContact CG-CG1 4.01Å; F409-I422 HydrophobicContact CZ-CG1 3.86Å; N411-I422 PolarHBondContact ND2-O 2.04Å; I422-T424 WeakPolarHBondContact CG2-O 3.07Å; I422-Q426 HydrophobicContact CG2-CG 3.55Å; I422-S432 WeakPolarHBondContact O-CB 3.47Å; I422-S432 PolarHBondContact O-OG 3.33Å
423	L	96.9	Very high	97.4	Very high	70 Å²	70	43.4 Å²	43.4	37%	0.366	23%	0.23	S	C	.	.			trans	-99.3	-0.8	-172.3	-57.1	-176	0	0	0	114.7	N411 M418	N411-L423 HydrophobicContact CB-CD2 3.91Å; M418-L423 HydrophobicContact CE-CD1 4.31Å; M418-L423 HydrophobicContact CE-CD2 3.76Å; M418-L423 HydrophobicContact CG-CD1 4.1Å; M418-L423 HydrophobicContact CG-CD2 3.59Å; M418-L423 HydrophobicContact CG-CG 4.48Å; M418-L423 WeakPolarHBondContact O-CD2 3.47Å
424	T	96.8	Very high	97.4	Very high	96 Å²	96	42.8 Å²	42.8	59%	0.589	23%	0.229	S	C	*	.	S	Bend	trans	-137.8	145.4	179.6	54	0	0	0	0	109.5	I422 Q426 S432	I422-T424 WeakPolarHBondContact CG2-O 3.07Å; T424-Q426 PolarHBondContact O-N 3.1Å; T424-Q426 PolarHBondContact O-NE2 2.89Å; T424-Q426 PolarHBondContact OG1-NE2 3.23Å; T424-S432 PolarHBondContact N-OG 2.75Å; T424-S432 PolarHBondContact O-OG 2.75Å; T424-S432 VanDerWaalsContact O-OG 3.13Å
425	D	98	Very high	97.4	Very high	100 Å²	100	41.3 Å²	41.3	54%	0.535	22%	0.221	S	C	.	.			trans	-54.3	130.1	176.7	-65.2	-9.7	0	0	0	110.6	I431 S432	D425-I431 VanDerWaalsContact OD1-CA 3.27Å; D425-I431 WeakPolarHBondContact OD1-CA 3.16Å; D425-S432 PolarHBondContact OD1-N 2.56Å
426	Q	96.9	Very high	97.4	Very high	40 Å²	40	45.9 Å²	45.9	19%	0.187	25%	0.246	C	C	.	.	S	Bend	trans	-93.8	-20	178.6	-58.3	-59.7	-54.8	0	0	111.8	W401 K402 I422 T424 V430	W401-Q426 HydrophobicContact CB-CB 4.08Å; W401-Q426 HydrophobicContact CB-CG 3.8Å; K402-Q426 HydrophobicContact CG-CB 4.42Å; I422-Q426 HydrophobicContact CG2-CG 3.55Å; T424-Q426 PolarHBondContact O-N 3.1Å; T424-Q426 PolarHBondContact O-NE2 2.89Å; T424-Q426 PolarHBondContact OG1-NE2 3.23Å; Q426-V430 HydrophobicContact CB-CB 4.13Å; Q426-V430 HydrophobicContact CB-CG1 3.89Å; Q426-V430 HydrophobicContact CG-CG1 4.2Å; Q426-V430 PolarHBondContact N-O 3.12Å
427	S	96.2	Very high	97.4	Very high	40 Å²	40	47.2 Å²	47.2	28%	0.28	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-167.2	175.3	169.8	66.4	0	0	0	0	109.3	K429 V430	S427-K429 PolarHBondContact O-N 2.98Å; S427-K429 PolarHBondContact OG-N 3.19Å; S427-V430 PolarHBondContact N-O 3.28Å; S427-V430 CarbonylContact O-C 3.39Å; S427-V430 PolarHBondContact O-N 3.12Å; S427-V430 VanDerWaalsContact O-N 3.16Å; S427-V430 VanDerWaalsContact O-O 3.05Å; S427-V430 PolarHBondContact OG-N 2.96Å; S427-V430 VanDerWaalsContact OG-N 3.16Å
428	E	95.2	Very high	97.4	Very high	193 Å²	193	46.6 Å²	46.6	90%	0.902	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.9	171.1	-63.3	179.9	173.7	0	0	114
429	K	96.1	Very high	97.4	Very high	126 Å²	126	45 Å²	45	55%	0.548	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-7.5	-177.6	-60.4	-178.6	-177.5	175.6	0	113.4	N406 I407 S427	N406-K429 VanDerWaalsContact CA-O 3.25Å; N406-K429 WeakPolarHBondContact CA-O 3.06Å; N406-K429 PolarHBondContact N-O 3.49Å; I407-K429 PolarHBondContact N-O 2.82Å; S427-K429 PolarHBondContact O-N 2.98Å; S427-K429 PolarHBondContact OG-N 3.19Å
430	V	98.2	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	94.7	177.2	177.4	0	0	0	0	106.6	I407 F409 Q426 S427	I407-V430 HydrophobicContact CB-CG1 4.18Å; I407-V430 HydrophobicContact CB-CG2 4.31Å; I407-V430 VanDerWaalsContact O-CA 3.32Å; I407-V430 WeakPolarHBondContact O-CA 3.19Å; F409-V430 HydrophobicContact CD2-CG1 4.05Å; F409-V430 HydrophobicContact CE2-CG1 3.8Å; Q426-V430 HydrophobicContact CB-CB 4.13Å; Q426-V430 HydrophobicContact CB-CG1 3.89Å; Q426-V430 HydrophobicContact CG-CG1 4.2Å; Q426-V430 PolarHBondContact N-O 3.12Å; S427-V430 PolarHBondContact N-O 3.28Å; S427-V430 CarbonylContact O-C 3.39Å; S427-V430 PolarHBondContact O-N 3.12Å; S427-V430 VanDerWaalsContact O-N 3.16Å; S427-V430 VanDerWaalsContact O-O 3.05Å; S427-V430 PolarHBondContact OG-N 2.96Å; S427-V430 VanDerWaalsContact OG-N 3.16Å
431	I	98.3	Very high	97.4	Very high	31 Å²	31	44.7 Å²	44.7	16%	0.159	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	153.9	-170.1	66.3	170.9	0	0	0	111.1	I407 I408 F409 D425 T465	I407-I431 PolarHBondContact O-N 3.32Å; I408-I431 WeakPolarHBondContact CA-O 3.45Å; I408-I431 HydrophobicContact CB-CG1 4.42Å; I408-I431 HydrophobicContact CG1-CD1 4.11Å; I408-I431 HydrophobicContact CG1-CG1 3.89Å; I408-I431 HydrophobicContact CG2-CG1 4.41Å; F409-I431 PolarHBondContact N-O 2.88Å; D425-I431 VanDerWaalsContact OD1-CA 3.27Å; D425-I431 WeakPolarHBondContact OD1-CA 3.16Å; I431-T465 HydrophobicContact CD1-CG2 4.25Å
432	S	98.6	Very high	97.4	Very high	16 Å²	16	44.7 Å²	44.7	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	129.2	178.8	-72.3	0	0	0	0	110.7	F409 I422 T424 D425	F409-S432 CarbonylContact O-C 3.6Å; F409-S432 VanDerWaalsContact O-CA 3.25Å; F409-S432 WeakPolarHBondContact O-CA 3.3Å; I422-S432 WeakPolarHBondContact O-CB 3.47Å; I422-S432 PolarHBondContact O-OG 3.33Å; T424-S432 PolarHBondContact N-OG 2.75Å; T424-S432 PolarHBondContact O-OG 2.75Å; T424-S432 VanDerWaalsContact O-OG 3.13Å; D425-S432 PolarHBondContact OD1-N 2.56Å
433	L	98.6	Very high	97.5	Very high	22 Å²	22	44.6 Å²	44.6	12%	0.115	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.8	178.6	-56.9	178.2	0	0	0	109.4	I408 F409 S410 N411 V458 I461 E462	I408-L433 HydrophobicContact CG2-CD1 3.73Å; I408-L433 HydrophobicContact CG2-CG 4.11Å; F409-L433 PolarHBondContact O-N 2.8Å; S410-L433 CarbonylContact C-O 3.55Å; S410-L433 WeakPolarHBondContact CA-O 3.33Å; N411-L433 PolarHBondContact N-O 2.95Å; L433-V458 HydrophobicContact CB-CG1 4.02Å; L433-V458 HydrophobicContact CB-CG2 4.19Å; L433-V458 HydrophobicContact CD1-CG1 3.89Å; L433-I461 HydrophobicContact CD1-CB 4.16Å; L433-I461 HydrophobicContact CD1-CG2 3.86Å; L433-I461 HydrophobicContact CD2-CD1 4.36Å; L433-I461 HydrophobicContact CD2-CG2 3.99Å; L433-E462 HydrophobicContact CD1-CG 3.9Å
434	V	98.2	Very high	97.5	Very high	54 Å²	54	41.4 Å²	41.4	33%	0.327	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129	174.8	175.1	0	0	0	0	109.3	N411 N413 M418	N411-V434 CarbonylContact O-C 3.06Å; N411-V434 VanDerWaalsContact O-CA 3.28Å; N411-V434 WeakPolarHBondContact O-CA 3.4Å; N413-V434 HydrophobicContact CB-CG1 4.45Å; M418-V434 HydrophobicContact CE-CB 4.1Å; M418-V434 HydrophobicContact CE-CG1 3.41Å; M418-V434 VanDerWaalsContact CE-CG1 3.41Å; M418-V434 HydrophobicContact CE-CG2 3.55Å
435	L	97.7	Very high	97.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	105.3	176.3	-64.5	81.6	0	0	0	109.6	N411 N413 G437 G438 D443 A455 V458	N411-L435 PolarHBondContact O-N 2.97Å; N413-L435 PolarHBondContact N-O 3.37Å; N413-L435 PolarHBondContact OD1-O 3.44Å; L435-G437 PolarHBondContact O-N 3.23Å; L435-G438 PolarHBondContact O-N 2.8Å; L435-D443 HydrophobicContact CD2-CB 3.81Å; L435-A455 HydrophobicContact CD2-CB 3.94Å; L435-V458 HydrophobicContact CD1-CB 4.3Å; L435-V458 HydrophobicContact CD1-CG1 3.73Å; L435-V458 HydrophobicContact CD1-CG2 4.26Å; L435-V458 HydrophobicContact CD2-CB 4.34Å; L435-V458 HydrophobicContact CD2-CG1 4.23Å; L435-V458 HydrophobicContact CG-CB 3.91Å; L435-V458 HydrophobicContact CG-CG1 3.87Å; L435-V458 HydrophobicContact CG-CG2 3.89Å
436	D	97.9	Very high	97.3	Very high	99 Å²	99	35.4 Å²	35.4	53%	0.529	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	124.3	171.4	-72.3	-28.7	0	0	0	110.9	N413 G438 S454	N413-D436 WeakPolarHBondContact ND2-CA 3.4Å; N413-D436 PolarHBondContact ND2-OD1 2.63Å; D436-G438 VanDerWaalsContact C-N 3.27Å; D436-S454 PolarHBondContact N-OG 3.37Å; D436-S454 WeakPolarHBondContact O-CB 3.07Å
437	G	97.2	Very high	97.2	Very high	27 Å²	27	35.8 Å²	35.8	28%	0.278	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	13.5	-170.3	0	0	0	0	0	113.5	N413 L435	N413-G437 PolarHBondContact OD1-N 2.91Å; L435-G437 PolarHBondContact O-N 3.23Å
438	G	97.7	Very high	97.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.			trans	-86.4	125.6	178	0	0	0	0	0	112.2	G412 N413 L414 D415 L435 D436	G412-G438 CarbonylContact C-O 3.55Å; G412-G438 WeakPolarHBondContact CA-O 3.39Å; N413-G438 PolarHBondContact N-O 3.21Å; L414-G438 WeakPolarHBondContact CB-O 3.43Å; L414-G438 PolarHBondContact N-O 3.43Å; D415-G438 PolarHBondContact N-O 3.12Å; L435-G438 PolarHBondContact O-N 2.8Å; D436-G438 VanDerWaalsContact C-N 3.27Å
439	A	98	Very high	97.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.			trans	-83.5	-178.6	165	0	0	0	0	0	111.5	D269 Y270 H441 L442	D269-A439 HydrophobicContact CB-CB 4.41Å; Y270-A439 HydrophobicContact CD1-CB 3.7Å; Y270-A439 HydrophobicContact CE1-CB 3.83Å; Y270-A439 HydrophobicContact CG-CB 4.47Å; A439-H441 PolarHBondContact O-N 3.29Å; A439-L442 WeakPolarHBondContact O-CB 3.46Å; A439-L442 PolarHBondContact O-N 3.48Å
440	H	97.6	Very high	97.3	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.014	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	121.1	-175.5	-164	67.7	0	0	0	111.5	S156 S180 M267 Y270 D415 W417 L442	S156-H440 WeakPolarHBondContact CB-NE2 3.32Å; S156-H440 PolarHBondContact OG-CE1 3.12Å; S156-H440 PolarHBondContact OG-NE2 3.11Å; S180-H440 WeakPolarHBondContact CB-ND1 3.41Å; M267-H440 HydrophobicContact CB-CB 4.42Å; M267-H440 WeakPolarHBondContact O-CB 3.43Å; M267-H440 PolarHBondContact O-N 3.49Å; Y270-H440 VanDerWaalsContact CE1-O 3.25Å; Y270-H440 WeakPolarHBondContact CE1-O 3.43Å; Y270-H440 PolarHBondContact OH-O 3.4Å; D415-H440 HydrophobicContact CB-CB 4.4Å; D415-H440 IonicContact OD1-CE1 3.46Å; D415-H440 IonicContact OD1-CG 3.5Å; D415-H440 IonicContact OD1-ND1 2.77Å; D415-H440 PolarHBondContact OD1-ND1 2.81Å; D415-H440 IonicContact OD2-CE1 2.9Å; D415-H440 IonicContact OD2-CG 3.34Å; D415-H440 IonicContact OD2-ND1 3.61Å; D415-H440 PolarHBondContact OD2-ND1 3.28Å; W417-H440 AromaticContact CD1-CE1 3.5Å; W417-H440 VanDerWaalsContact CD1-CE1 3.5Å; W417-H440 AromaticContact CD1-ND1 3.63Å; W417-H440 AromaticContact CG-CE1 3.9Å; H440-L442 VanDerWaalsContact C-N 3.26Å; H440-L442 PolarHBondContact O-N 3.37Å; H440-L442 VanDerWaalsContact O-N 3.15Å
441	H	96.8	Very high	97.3	Very high	16 Å²	16	30.9 Å²	30.9	7%	0.074	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	40.6	-176.9	61.3	53.1	0	0	0	115.7	S179 S180 Y270 A439 D443 L444	S179-H441 WeakPolarHBondContact OG-CA 3.35Å; S179-H441 WeakPolarHBondContact OG-CB 3.38Å; S180-H441 PolarHBondContact OG-N 3.16Å; Y270-H441 PolarHBondContact OH-CE1 3.44Å; Y270-H441 PolarHBondContact OH-ND1 2.95Å; A439-H441 PolarHBondContact O-N 3.29Å; H441-D443 VanDerWaalsContact C-N 3.33Å; H441-D443 PolarHBondContact O-N 2.91Å; H441-L444 HydrophobicContact CB-CD1 4.44Å; H441-L444 PolarHBondContact O-N 3.03Å
442	L	97.9	Very high	97.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-38.1	179.8	175.1	61.8	0	0	0	113	Y270 Y272 A439 H440 L444 R445 P452 A455 R459	Y270-L442 HydrophobicContact CD1-CB 4.47Å; Y270-L442 HydrophobicContact CD1-CD1 3.87Å; Y270-L442 HydrophobicContact CE1-CB 4.31Å; Y270-L442 HydrophobicContact CE1-CD1 4.34Å; Y272-L442 HydrophobicContact CE1-CD1 4.2Å; Y272-L442 WeakPolarHBondContact OH-CD1 3.27Å; A439-L442 WeakPolarHBondContact O-CB 3.46Å; A439-L442 PolarHBondContact O-N 3.48Å; H440-L442 VanDerWaalsContact C-N 3.26Å; H440-L442 PolarHBondContact O-N 3.37Å; H440-L442 VanDerWaalsContact O-N 3.15Å; L442-L444 PolarHBondContact O-N 3.49Å; L442-R445 WeakPolarHBondContact O-CB 3.46Å; L442-R445 PolarHBondContact O-N 3.34Å; L442-R445 VanDerWaalsContact O-N 3.1Å; L442-P452 HydrophobicContact CD2-CG 4.08Å; L442-A455 HydrophobicContact CD2-CB 4.04Å; L442-A455 HydrophobicContact CG-CB 4.46Å; L442-R459 PolarHBondContact O-NH2 3.14Å
443	D	98	Very high	97.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.011	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-39.6	176.8	56	-45.4	0	0	0	112.3	L85 S179 S410 L435 H441 R445 R459	L85-D443 WeakPolarHBondContact CD2-O 3.46Å; S179-D443 WeakPolarHBondContact CB-OD1 3.42Å; S179-D443 VanDerWaalsContact CB-OD2 3.28Å; S179-D443 WeakPolarHBondContact CB-OD2 3.3Å; S179-D443 VanDerWaalsContact OG-CG 3.29Å; S179-D443 PolarHBondContact OG-OD1 3.49Å; S179-D443 PolarHBondContact OG-OD2 3.1Å; S410-D443 PolarHBondContact OG-OD2 3.4Å; L435-D443 HydrophobicContact CD2-CB 3.81Å; H441-D443 VanDerWaalsContact C-N 3.33Å; H441-D443 PolarHBondContact O-N 2.91Å; D443-R445 VanDerWaalsContact C-N 3.31Å; D443-R445 PolarHBondContact O-N 3Å; D443-R459 HydrophobicContact CB-CG 4.46Å; D443-R459 PolarHBondContact O-NE 3.31Å
444	L	97.5	Very high	97.2	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-17.9	-179.1	-70.1	-174.2	0	0	0	114.7	Y69 T83 G84 L85 F153 G154 L177 H441 L442	Y69-L444 HydrophobicContact CE2-CD1 4.37Å; T83-L444 CarbonylContact C-O 3.54Å; T83-L444 VanDerWaalsContact CA-O 3.31Å; T83-L444 WeakPolarHBondContact CA-O 3.38Å; T83-L444 HydrophobicContact CG2-CB 4.18Å; G84-L444 PolarHBondContact N-O 3.27Å; G84-L444 VanDerWaalsContact N-O 3.15Å; L85-L444 WeakPolarHBondContact CB-O 3.27Å; L85-L444 HydrophobicContact CD2-CD2 4.14Å; L85-L444 PolarHBondContact N-O 3.09Å; F153-L444 HydrophobicContact CD1-CD2 4.39Å; G154-L444 VanDerWaalsContact C-CD1 3.43Å; G154-L444 WeakPolarHBondContact O-CD1 3.44Å; L177-L444 HydrophobicContact CD2-CD2 3.72Å; L177-L444 HydrophobicContact CG-CD2 4.24Å; H441-L444 HydrophobicContact CB-CD1 4.44Å; H441-L444 PolarHBondContact O-N 3.03Å; L442-L444 PolarHBondContact O-N 3.49Å
445	R	95.8	Very high	97.2	Very high	22 Å²	22	31.6 Å²	31.6	8%	0.083	19%	0.193	C	C	.	.	S	Bend	trans	-69	164.7	179.2	-59.6	-171.2	65.1	86.8	13.2	111.2	N82 Y270 Y272 L442 D443 R459	N82-R445 WeakPolarHBondContact O-CA 3.43Å; N82-R445 PolarHBondContact OD1-NH1 3.28Å; N82-R445 PolarHBondContact OD1-NH2 2.97Å; Y270-R445 VanDerWaalsContact CE1-CD 3.46Å; Y272-R445 WeakPolarHBondContact OH-CB 3.44Å; Y272-R445 VanDerWaalsContact OH-CD 3.27Å; Y272-R445 WeakPolarHBondContact OH-CD 3.38Å; Y272-R445 PolarHBondContact OH-NE 3.02Å; Y272-R445 VanDerWaalsContact OH-NE 3.08Å; L442-R445 WeakPolarHBondContact O-CB 3.46Å; L442-R445 PolarHBondContact O-N 3.34Å; L442-R445 VanDerWaalsContact O-N 3.1Å; D443-R445 VanDerWaalsContact C-N 3.31Å; D443-R445 PolarHBondContact O-N 3Å; R445-R459 PolarHBondContact O-NH2 3.46Å; R445-R459 VanDerWaalsContact O-NH2 3.13Å
446	S	94.7	Very high	97.1	Very high	49 Å²	49	37 Å²	37	34%	0.343	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-56.2	143	169	-58.2	0	0	0	0	110.1	G84 D448	G84-S446 WeakPolarHBondContact CA-OG 3.32Å; S446-D448 PolarHBondContact O-N 3.4Å
447	P	94.8	Very high	97.1	Very high	48 Å²	48	37.7 Å²	37.7	31%	0.312	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-57.3	137	168.1	-19.8	28	0	0	0	112	E88 D451	E88-P447 WeakPolarHBondContact OE1-CG 3.46Å; E88-P447 WeakPolarHBondContact OE2-CD 3.37Å; E88-P447 WeakPolarHBondContact OE2-CG 3.32Å; P447-D451 WeakPolarHBondContact CA-OD2 3.4Å
448	D	95.7	Very high	97.2	Very high	42 Å²	42	36.7 Å²	36.7	23%	0.225	20%	0.202	C	C	.	.			trans	-126.9	143.4	176.7	-167.8	-85.8	0	0	0	109.9	Y272 S446 N450 D451 R456	Y272-D448 HydrophobicContact CD1-CB 3.45Å; Y272-D448 VanDerWaalsContact CD1-CB 3.45Å; Y272-D448 HydrophobicContact CE1-CB 3.4Å; Y272-D448 HydrophobicContact CG-CB 4.31Å; S446-D448 PolarHBondContact O-N 3.4Å; D448-N450 PolarHBondContact O-N 3.42Å; D448-N450 VanDerWaalsContact O-N 3.08Å; D448-N450 VanDerWaalsContact OD1-CB 3.26Å; D448-N450 WeakPolarHBondContact OD1-CB 3.41Å; D448-N450 PolarHBondContact OD1-N 2.95Å; D448-N450 PolarHBondContact OD1-ND2 2.86Å; D448-D451 PolarHBondContact N-OD2 2.98Å; D448-D451 WeakPolarHBondContact O-CB 3.4Å; D448-D451 PolarHBondContact O-N 3.47Å; D448-R456 PolarHBondContact O-NH2 3.44Å
449	P	96.6	Very high	97.2	Very high	107 Å²	107	37.4 Å²	37.4	70%	0.695	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-23	173.1	-27.5	36.4	0	0	0	114.7	R456	P449-R456 PolarHBondContact O-NH2 3.29Å
450	N	97.5	Very high	97.2	Very high	100 Å²	100	43.3 Å²	43.3	54%	0.535	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-0.5	178.4	-53.3	-67.9	0	0	0	113.5	P271 D448	P271-N450 HydrophobicContact CB-CB 4.34Å; P271-N450 WeakPolarHBondContact CB-O 3.34Å; P271-N450 WeakPolarHBondContact CG-O 3.24Å; D448-N450 PolarHBondContact O-N 3.42Å; D448-N450 VanDerWaalsContact O-N 3.08Å; D448-N450 VanDerWaalsContact OD1-CB 3.26Å; D448-N450 WeakPolarHBondContact OD1-CB 3.41Å; D448-N450 PolarHBondContact OD1-N 2.95Å; D448-N450 PolarHBondContact OD1-ND2 2.86Å
451	D	97.9	Very high	97.2	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.037	25%	0.249	C	C	.	.	S	Bend	trans	-56.7	136	175.4	-77.2	-32.6	0	0	0	111.1	Y272 P447 D448 A455 R456 R459	Y272-D451 WeakPolarHBondContact CE1-OD1 3.46Å; P447-D451 WeakPolarHBondContact CA-OD2 3.4Å; D448-D451 PolarHBondContact N-OD2 2.98Å; D448-D451 WeakPolarHBondContact O-CB 3.4Å; D448-D451 PolarHBondContact O-N 3.47Å; D451-A455 HydrophobicContact CB-CB 4.36Å; D451-R456 HydrophobicContact CB-CG 4.35Å; D451-R456 PolarHBondContact O-NE 2.97Å; D451-R459 IonicContact OD2-CZ 2.71Å; D451-R459 IonicContact OD2-NH1 2.6Å; D451-R459 PolarHBondContact OD2-NH1 3.43Å; D451-R459 IonicContact OD2-NH2 3.44Å
452	P	97.5	Very high	97.2	Very high	23 Å²	23	45.7 Å²	45.7	15%	0.149	25%	0.245	C	C	.	.			trans	-60.9	151.3	176.3	28.6	-36.1	0	0	0	110.1	L442 S454 A455 R456	L442-P452 HydrophobicContact CD2-CG 4.08Å; P452-S454 PolarHBondContact O-N 3.27Å; P452-S454 VanDerWaalsContact O-N 3.11Å; P452-A455 HydrophobicContact CG-CB 3.79Å; P452-A455 PolarHBondContact O-N 2.89Å; P452-R456 PolarHBondContact O-N 3.4Å
453	P	98.1	Very high	97.2	Very high	94 Å²	94	47 Å²	47	61%	0.61	25%	0.253	S	S	*	.	H	α-helix	trans	-52.5	-37.1	179.1	-28.2	35.6	0	0	0	113.4	A455 R456 Q457	P453-A455 PolarHBondContact O-N 3.39Å; P453-R456 PolarHBondContact O-N 2.92Å; P453-Q457 WeakPolarHBondContact O-CG 3.5Å; P453-Q457 PolarHBondContact O-N 2.98Å; P453-Q457 VanDerWaalsContact O-N 3.11Å
454	S	97.9	Very high	97.2	Very high	21 Å²	21	53.3 Å²	53.3	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-40.2	177.9	-163.6	0	0	0	0	112.8	D436 P452 R456 Q457 V458	D436-S454 PolarHBondContact N-OG 3.37Å; D436-S454 WeakPolarHBondContact O-CB 3.07Å; P452-S454 PolarHBondContact O-N 3.27Å; P452-S454 VanDerWaalsContact O-N 3.11Å; S454-R456 VanDerWaalsContact C-N 3.3Å; S454-R456 PolarHBondContact O-N 3.36Å; S454-Q457 PolarHBondContact O-N 2.85Å; S454-V458 WeakPolarHBondContact O-CB 3.38Å; S454-V458 WeakPolarHBondContact O-CG2 3.48Å; S454-V458 PolarHBondContact O-N 3.42Å
455	A	97.6	Very high	97.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-38	178.9	0	0	0	0	0	111.7	L435 L442 D451 P452 P453 R459	L435-A455 HydrophobicContact CD2-CB 3.94Å; L442-A455 HydrophobicContact CD2-CB 4.04Å; L442-A455 HydrophobicContact CG-CB 4.46Å; D451-A455 HydrophobicContact CB-CB 4.36Å; P452-A455 HydrophobicContact CG-CB 3.79Å; P452-A455 PolarHBondContact O-N 2.89Å; P453-A455 PolarHBondContact O-N 3.39Å; A455-R459 WeakPolarHBondContact O-CG 3.36Å; A455-R459 PolarHBondContact O-N 3.2Å
456	R	97.2	Very high	97.3	Very high	115 Å²	115	53.4 Å²	53.4	43%	0.434	29%	0.286	S	S	.	.	H	α-helix	trans	-66.7	-41.5	176.1	-59.1	174.5	-172.1	-118.8	3.1	111.7	D448 P449 D451 P452 P453 S454 Q460	D448-R456 PolarHBondContact O-NH2 3.44Å; P449-R456 PolarHBondContact O-NH2 3.29Å; D451-R456 HydrophobicContact CB-CG 4.35Å; D451-R456 PolarHBondContact O-NE 2.97Å; P452-R456 PolarHBondContact O-N 3.4Å; P453-R456 PolarHBondContact O-N 2.92Å; S454-R456 VanDerWaalsContact C-N 3.3Å; S454-R456 PolarHBondContact O-N 3.36Å; R456-Q460 VanDerWaalsContact O-CG 3.32Å; R456-Q460 WeakPolarHBondContact O-CG 3.35Å; R456-Q460 PolarHBondContact O-N 3.16Å; R456-Q460 VanDerWaalsContact O-N 3.16Å
457	Q	98	Very high	97.4	Very high	112 Å²	112	55.4 Å²	55.4	52%	0.523	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-44.9	177.7	-69.6	171.3	8.2	0	0	111.5	P453 S454 Q460 I461	P453-Q457 WeakPolarHBondContact O-CG 3.5Å; P453-Q457 PolarHBondContact O-N 2.98Å; P453-Q457 VanDerWaalsContact O-N 3.11Å; S454-Q457 PolarHBondContact O-N 2.85Å; Q457-Q460 WeakPolarHBondContact O-CB 3.07Å; Q457-Q460 PolarHBondContact O-N 3.4Å; Q457-Q460 VanDerWaalsContact O-N 3.13Å; Q457-I461 WeakPolarHBondContact O-CG1 3.41Å; Q457-I461 PolarHBondContact O-N 3.07Å
458	V	98.3	Very high	97.5	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-46.8	177.9	164.5	0	0	0	0	111.2	L433 L435 S454 Q460 I461 E462	L433-V458 HydrophobicContact CB-CG1 4.02Å; L433-V458 HydrophobicContact CB-CG2 4.19Å; L433-V458 HydrophobicContact CD1-CG1 3.89Å; L435-V458 HydrophobicContact CD1-CB 4.3Å; L435-V458 HydrophobicContact CD1-CG1 3.73Å; L435-V458 HydrophobicContact CD1-CG2 4.26Å; L435-V458 HydrophobicContact CD2-CB 4.34Å; L435-V458 HydrophobicContact CD2-CG1 4.23Å; L435-V458 HydrophobicContact CG-CB 3.91Å; L435-V458 HydrophobicContact CG-CG1 3.87Å; L435-V458 HydrophobicContact CG-CG2 3.89Å; S454-V458 WeakPolarHBondContact O-CB 3.38Å; S454-V458 WeakPolarHBondContact O-CG2 3.48Å; S454-V458 PolarHBondContact O-N 3.42Å; V458-Q460 VanDerWaalsContact C-N 3.26Å; V458-Q460 PolarHBondContact O-N 2.91Å; V458-I461 PolarHBondContact O-N 3.29Å; V458-E462 HydrophobicContact CG1-CG 4.28Å; V458-E462 WeakPolarHBondContact CG1-OE1 3.37Å; V458-E462 WeakPolarHBondContact O-CG 3.42Å; V458-E462 PolarHBondContact O-N 3.01Å
459	R	97.8	Very high	97.5	Very high	15 Å²	15	55.4 Å²	55.4	6%	0.057	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-37.5	173.8	-74.5	177.5	-176.8	144.2	3.5	112.9	L85 L442 D443 R445 D451 A455 E462 V463	L85-R459 HydrophobicContact CD1-CG 4.09Å; L442-R459 PolarHBondContact O-NH2 3.14Å; D443-R459 HydrophobicContact CB-CG 4.46Å; D443-R459 PolarHBondContact O-NE 3.31Å; R445-R459 PolarHBondContact O-NH2 3.46Å; R445-R459 VanDerWaalsContact O-NH2 3.13Å; D451-R459 IonicContact OD2-CZ 2.71Å; D451-R459 IonicContact OD2-NH1 2.6Å; D451-R459 PolarHBondContact OD2-NH1 3.43Å; D451-R459 IonicContact OD2-NH2 3.44Å; A455-R459 WeakPolarHBondContact O-CG 3.36Å; A455-R459 PolarHBondContact O-N 3.2Å; R459-E462 WeakPolarHBondContact CA-OE2 3.28Å; R459-E462 PolarHBondContact O-N 3.14Å; R459-V463 WeakPolarHBondContact O-CB 3.49Å; R459-V463 WeakPolarHBondContact O-CG2 3.46Å; R459-V463 PolarHBondContact O-N 2.98Å
460	Q	97.4	Very high	97.5	Very high	124 Å²	124	51.1 Å²	51.1	58%	0.579	26%	0.259	S	S	*	.	H	α-helix	trans	-63.8	-43.1	175.6	-73.3	171.8	-5.7	0	0	112.1	R456 Q457 V458 V463 Q464	R456-Q460 VanDerWaalsContact O-CG 3.32Å; R456-Q460 WeakPolarHBondContact O-CG 3.35Å; R456-Q460 PolarHBondContact O-N 3.16Å; R456-Q460 VanDerWaalsContact O-N 3.16Å; Q457-Q460 WeakPolarHBondContact O-CB 3.07Å; Q457-Q460 PolarHBondContact O-N 3.4Å; Q457-Q460 VanDerWaalsContact O-N 3.13Å; V458-Q460 VanDerWaalsContact C-N 3.26Å; V458-Q460 PolarHBondContact O-N 2.91Å; Q460-V463 PolarHBondContact O-N 2.85Å; Q460-Q464 WeakPolarHBondContact O-CB 3.25Å; Q460-Q464 VanDerWaalsContact O-CG 3.3Å; Q460-Q464 WeakPolarHBondContact O-CG 3.33Å; Q460-Q464 PolarHBondContact O-N 3.48Å
461	I	98.1	Very high	97	Very high	69 Å²	69	53 Å²	53	35%	0.354	27%	0.269	S	S	.	.	H	α-helix	trans	-64.3	-44.2	176.5	-63.2	165.9	0	0	0	110.3	L433 Q457 V458 V463 Q464 T465	L433-I461 HydrophobicContact CD1-CB 4.16Å; L433-I461 HydrophobicContact CD1-CG2 3.86Å; L433-I461 HydrophobicContact CD2-CD1 4.36Å; L433-I461 HydrophobicContact CD2-CG2 3.99Å; Q457-I461 WeakPolarHBondContact O-CG1 3.41Å; Q457-I461 PolarHBondContact O-N 3.07Å; V458-I461 PolarHBondContact O-N 3.29Å; I461-V463 PolarHBondContact O-N 3.17Å; I461-Q464 PolarHBondContact O-N 2.95Å; I461-T465 VanDerWaalsContact O-CB 3.3Å; I461-T465 WeakPolarHBondContact O-CB 3.43Å; I461-T465 PolarHBondContact O-N 3.11Å; I461-T465 PolarHBondContact O-OG1 2.98Å
462	E	98.1	Very high	95.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.1	-49.8	176.2	-72.1	166.3	176.6	0	0	111.3	L177 I408 S410 L433 V458 R459 Q464 T465 I466	L177-E462 HydrophobicContact CD1-CG 4.02Å; L177-E462 HydrophobicContact CD2-CG 4.3Å; I408-E462 HydrophobicContact CD1-CB 4.41Å; I408-E462 HydrophobicContact CD1-CG 4.32Å; I408-E462 HydrophobicContact CG2-CG 4.24Å; S410-E462 WeakPolarHBondContact CB-OE1 3.29Å; L433-E462 HydrophobicContact CD1-CG 3.9Å; V458-E462 HydrophobicContact CG1-CG 4.28Å; V458-E462 WeakPolarHBondContact CG1-OE1 3.37Å; V458-E462 WeakPolarHBondContact O-CG 3.42Å; V458-E462 PolarHBondContact O-N 3.01Å; R459-E462 WeakPolarHBondContact CA-OE2 3.28Å; R459-E462 PolarHBondContact O-N 3.14Å; E462-Q464 PolarHBondContact O-N 2.91Å; E462-T465 PolarHBondContact O-N 3.33Å; E462-I466 WeakPolarHBondContact O-CB 3.43Å; E462-I466 VanDerWaalsContact O-CG1 3.24Å; E462-I466 WeakPolarHBondContact O-CG1 3.45Å; E462-I466 PolarHBondContact O-N 3.41Å
463	V	97	Very high	95.6	Very high	28 Å²	28	60.6 Å²	60.6	17%	0.17	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-45.9	178.8	171.1	0	0	0	0	111.7	L89 F93 R459 Q460 I461 T465 I466 R467	L89-V463 HydrophobicContact CD1-CG2 3.82Å; L89-V463 HydrophobicContact CD2-CG2 3.29Å; L89-V463 HydrophobicContact CG-CG2 4.18Å; F93-V463 HydrophobicContact CE2-CG1 4.17Å; F93-V463 HydrophobicContact CZ-CG1 4.28Å; R459-V463 WeakPolarHBondContact O-CB 3.49Å; R459-V463 WeakPolarHBondContact O-CG2 3.46Å; R459-V463 PolarHBondContact O-N 2.98Å; Q460-V463 PolarHBondContact O-N 2.85Å; I461-V463 PolarHBondContact O-N 3.17Å; V463-T465 VanDerWaalsContact C-N 3.33Å; V463-I466 PolarHBondContact O-N 3.35Å; V463-R467 WeakPolarHBondContact O-CG 3.41Å; V463-R467 PolarHBondContact O-N 2.64Å
464	Q	97	Very high	95.4	Very high	134 Å²	134	58.8 Å²	58.8	63%	0.626	29%	0.291	S	S	*	.	H	α-helix	trans	-64.3	-40.4	178.8	-73.2	176.6	2.4	0	0	111.8	Q460 I461 E462 R467 S468	Q460-Q464 WeakPolarHBondContact O-CB 3.25Å; Q460-Q464 VanDerWaalsContact O-CG 3.3Å; Q460-Q464 WeakPolarHBondContact O-CG 3.33Å; Q460-Q464 PolarHBondContact O-N 3.48Å; I461-Q464 PolarHBondContact O-N 2.95Å; E462-Q464 PolarHBondContact O-N 2.91Å; Q464-R467 WeakPolarHBondContact O-CB 3.38Å; Q464-R467 PolarHBondContact O-N 3.12Å; Q464-S468 PolarHBondContact O-N 2.8Å
465	T	97.7	Very high	95.3	Very high	26 Å²	26	60.9 Å²	60.9	16%	0.16	30%	0.299	C	S	.	.	H	α-helix	trans	-66.2	-45.7	178.3	-55.7	0	0	0	0	110.6	I408 I431 I461 E462 V463 R467 S468 W469	I408-T465 HydrophobicContact CD1-CG2 3.73Å; I408-T465 HydrophobicContact CG1-CG2 4.03Å; I431-T465 HydrophobicContact CD1-CG2 4.25Å; I461-T465 VanDerWaalsContact O-CB 3.3Å; I461-T465 WeakPolarHBondContact O-CB 3.43Å; I461-T465 PolarHBondContact O-N 3.11Å; I461-T465 PolarHBondContact O-OG1 2.98Å; E462-T465 PolarHBondContact O-N 3.33Å; V463-T465 VanDerWaalsContact C-N 3.33Å; T465-R467 VanDerWaalsContact C-N 3.33Å; T465-R467 PolarHBondContact O-N 2.65Å; T465-S468 PolarHBondContact O-N 3.44Å; T465-S468 VanDerWaalsContact O-N 3.12Å; T465-S468 PolarHBondContact O-OG 3.18Å; T465-W469 HydrophobicContact CG2-CH2 4.36Å; T465-W469 HydrophobicContact CG2-CZ2 3.57Å; T465-W469 PolarHBondContact O-N 2.94Å; T465-W469 VanDerWaalsContact O-N 3.13Å
466	I	98	Very high	95.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-39.9	176.1	-67.8	165.1	0	0	0	111.1	F67 F93 V151 F153 I408 E462 V463 S468 W469 L470	F67-I466 HydrophobicContact CE1-CG2 4.4Å; F93-I466 HydrophobicContact CE1-CG2 3.79Å; F93-I466 HydrophobicContact CZ-CB 4.4Å; F93-I466 HydrophobicContact CZ-CG2 3.98Å; V151-I466 HydrophobicContact CG1-CG1 4.42Å; V151-I466 HydrophobicContact CG1-CG2 4.34Å; V151-I466 HydrophobicContact CG2-CG2 4.18Å; F153-I466 HydrophobicContact CE1-CD1 3.8Å; F153-I466 HydrophobicContact CZ-CD1 3.95Å; I408-I466 HydrophobicContact CD1-CG1 4.47Å; E462-I466 WeakPolarHBondContact O-CB 3.43Å; E462-I466 VanDerWaalsContact O-CG1 3.24Å; E462-I466 WeakPolarHBondContact O-CG1 3.45Å; E462-I466 PolarHBondContact O-N 3.41Å; V463-I466 PolarHBondContact O-N 3.35Å; I466-S468 VanDerWaalsContact C-N 3.34Å; I466-S468 PolarHBondContact O-N 3.1Å; I466-W469 HydrophobicContact CB-CE3 4.4Å; I466-W469 HydrophobicContact CG1-CE3 4Å; I466-W469 HydrophobicContact CG1-CZ3 3.78Å; I466-W469 PolarHBondContact O-N 2.55Å; I466-L470 HydrophobicContact CG2-CD1 4.03Å; I466-L470 WeakPolarHBondContact O-CG 3.46Å; I466-L470 PolarHBondContact O-N 2.78Å
467	R	96.9	Very high	95	Very high	91 Å²	91	61.4 Å²	61.4	34%	0.343	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-46.2	172.2	-76.7	177.9	179.5	-111.6	-3.5	111.8	F93 V463 Q464 T465 W469 L470 D471 L472	F93-R467 HydrophobicContact CE1-CB 4.36Å; F93-R467 HydrophobicContact CE1-CG 3.55Å; F93-R467 HydrophobicContact CE2-CG 4.31Å; F93-R467 HydrophobicContact CZ-CB 4.44Å; F93-R467 HydrophobicContact CZ-CG 3.38Å; V463-R467 WeakPolarHBondContact O-CG 3.41Å; V463-R467 PolarHBondContact O-N 2.64Å; Q464-R467 WeakPolarHBondContact O-CB 3.38Å; Q464-R467 PolarHBondContact O-N 3.12Å; T465-R467 VanDerWaalsContact C-N 3.33Å; T465-R467 PolarHBondContact O-N 2.65Å; R467-W469 VanDerWaalsContact C-N 3.25Å; R467-W469 PolarHBondContact O-N 3.2Å; R467-L470 CarbonylContact O-C 3.58Å; R467-L470 PolarHBondContact O-N 3.19Å; R467-D471 PolarHBondContact O-N 3.1Å; R467-D471 VanDerWaalsContact O-N 3.14Å; R467-L472 PolarHBondContact O-N 3.12Å
468	S	96.7	Very high	94.8	Very high	74 Å²	74	58 Å²	58	52%	0.517	30%	0.295	S	S	.	.	H	α-helix	trans	-63.3	-30.1	179.3	77.3	0	0	0	0	113.5	Q464 T465 I466 L470	Q464-S468 PolarHBondContact O-N 2.8Å; T465-S468 PolarHBondContact O-N 3.44Å; T465-S468 VanDerWaalsContact O-N 3.12Å; T465-S468 PolarHBondContact O-OG 3.18Å; I466-S468 VanDerWaalsContact C-N 3.34Å; I466-S468 PolarHBondContact O-N 3.1Å; S468-L470 VanDerWaalsContact C-N 3.28Å; S468-L470 PolarHBondContact O-N 3.03Å
469	W	97.1	Very high	94.6	Very high	17 Å²	17	61.6 Å²	61.6	6%	0.064	31%	0.313	C	S	.	.	H	α-helix	trans	-72.5	-26.5	175.5	-61	-20.8	0	0	0	112.7	V151 K174 A176 N406 I408 T465 I466 R467	V151-W469 HydrophobicContact CG1-CE3 4.47Å; V151-W469 HydrophobicContact CG1-CZ3 4.27Å; K174-W469 WeakPolarHBondContact CE-O 3.31Å; K174-W469 HydrophobicContact CG-CB 4.46Å; A176-W469 WeakPolarHBondContact O-CH2 3.48Å; N406-W469 HydrophobicContact CB-CD2 3.94Å; N406-W469 HydrophobicContact CB-CG 4.19Å; N406-W469 HydrophobicContact CB-CZ2 3.97Å; N406-W469 WeakPolarHBondContact O-CH2 3.36Å; I408-W469 HydrophobicContact CD1-CH2 3.64Å; I408-W469 HydrophobicContact CD1-CZ2 4.05Å; I408-W469 HydrophobicContact CD1-CZ3 4.38Å; I408-W469 HydrophobicContact CG1-CH2 3.65Å; I408-W469 HydrophobicContact CG1-CZ2 3.86Å; T465-W469 HydrophobicContact CG2-CH2 4.36Å; T465-W469 HydrophobicContact CG2-CZ2 3.57Å; T465-W469 PolarHBondContact O-N 2.94Å; T465-W469 VanDerWaalsContact O-N 3.13Å; I466-W469 HydrophobicContact CB-CE3 4.4Å; I466-W469 HydrophobicContact CG1-CE3 4Å; I466-W469 HydrophobicContact CG1-CZ3 3.78Å; I466-W469 PolarHBondContact O-N 2.55Å; R467-W469 VanDerWaalsContact C-N 3.25Å; R467-W469 PolarHBondContact O-N 3.2Å
470	L	95.4	Very high	94.4	Very high	16 Å²	16	65.2 Å²	65.2	8%	0.084	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.2	-175.9	-64	176.4	0	0	0	113	P65 F67 F93 L149 V151 K174 I466 R467 S468 L472	P65-L470 HydrophobicContact CB-CD1 3.76Å; P65-L470 HydrophobicContact CB-CD2 4.01Å; P65-L470 HydrophobicContact CG-CD1 3.81Å; F67-L470 HydrophobicContact CE1-CD1 4.27Å; F93-L470 HydrophobicContact CD1-CD1 3.66Å; F93-L470 HydrophobicContact CE1-CD1 3.84Å; L149-L470 HydrophobicContact CB-CD2 3.6Å; L149-L470 HydrophobicContact CD1-CD2 3.81Å; L149-L470 HydrophobicContact CG-CD2 4.36Å; V151-L470 HydrophobicContact CG2-CD1 4.09Å; V151-L470 HydrophobicContact CG2-CD2 4.02Å; V151-L470 HydrophobicContact CG2-CG 4.26Å; K174-L470 HydrophobicContact CG-CD2 4.48Å; I466-L470 HydrophobicContact CG2-CD1 4.03Å; I466-L470 WeakPolarHBondContact O-CG 3.46Å; I466-L470 PolarHBondContact O-N 2.78Å; R467-L470 CarbonylContact O-C 3.58Å; R467-L470 PolarHBondContact O-N 3.19Å; S468-L470 VanDerWaalsContact C-N 3.28Å; S468-L470 PolarHBondContact O-N 3.03Å; L470-L472 VanDerWaalsContact C-N 3.26Å; L470-L472 HydrophobicContact CB-CD1 3.81Å; L470-L472 HydrophobicContact CB-CG 3.91Å; L470-L472 HydrophobicContact CD1-CD1 4.13Å; L470-L472 PolarHBondContact O-N 3.34Å
471	D	86.6	Confident	94.1	Very high	139 Å²	139	60.3 Å²	60.3	74%	0.743	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	39.7	-176.7	-55.4	-47.9	0	0	0	112.6	R467	R467-D471 PolarHBondContact O-N 3.1Å; R467-D471 VanDerWaalsContact O-N 3.14Å
472	L	70.7	Confident	93.7	Very high	130 Å²	130	59.5 Å²	59.5	68%	0.681	31%	0.308	S	S	*	.			trans	-105.2	0	-175.5	-72.1	176.1	0	0	0	115.3	F93 R467 L470	F93-L472 HydrophobicContact CD1-CD1 3.45Å; F93-L472 VanDerWaalsContact CD1-CD1 3.45Å; F93-L472 HydrophobicContact CE1-CD1 4.02Å; F93-L472 HydrophobicContact CG-CD1 4.34Å; R467-L472 PolarHBondContact O-N 3.12Å; L470-L472 VanDerWaalsContact C-N 3.26Å; L470-L472 HydrophobicContact CB-CD1 3.81Å; L470-L472 HydrophobicContact CB-CG 3.91Å; L470-L472 HydrophobicContact CD1-CD1 4.13Å; L470-L472 PolarHBondContact O-N 3.34Å

Retrieved 472 of 472 residues in 141.5 ms (Link to these results)

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