A0A087Y8C9_POEFO Loading...

Glucosylceramidase

AlphaFold DB , UniProt , Accession A0A087Y8C9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 522 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.7	Very low	38.4	Very low	246 Å²	246	145.1 Å²	145.1	100%	1.212	84%	0.837	S	S	*	*				0	97.2	0	-78.2	179.2	-135.7	0	0	108.6
2	V	35.6	Very low	37.8	Very low	138 Å²	138	139.8 Å²	139.8	84%	0.836	82%	0.823	S	S	*	*			trans	-144.9	121.5	162.2	179.7	0	0	0	0	104.1
3	P	44.8	Very low	37.3	Very low	119 Å²	119	140.7 Å²	140.7	77%	0.773	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-83.2	142.5	-171.3	32.5	-31.5	0	0	0	111.4
4	L	39.9	Very low	36.7	Very low	177 Å²	177	140.1 Å²	140.1	93%	0.927	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-70.8	129.4	168.4	-79.8	124	0	0	0	110.2
5	L	39.3	Very low	36.5	Very low	160 Å²	160	138.6 Å²	138.6	84%	0.838	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-86.1	140.6	166.7	-88.1	131.8	0	0	0	110
6	P	43.2	Very low	36.2	Very low	113 Å²	113	136.5 Å²	136.5	73%	0.734	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-80.5	137.5	175.6	33	-30.9	0	0	0	110.5	V8	P6-V8 PolarHBondContact O-N 2.8Å
7	S	36.2	Very low	36.1	Very low	124 Å²	124	133.5 Å²	133.5	87%	0.867	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-74	116.1	173.8	-46.8	0	0	0	0	109.6	L9	S7-L9 PolarHBondContact O-N 2.7Å
8	V	36.9	Very low	36	Very low	125 Å²	125	131 Å²	131	76%	0.758	80%	0.798	S	S	*	*			trans	-80.5	112.4	172.5	177.5	0	0	0	0	108.2	P6 V10	P6-V8 PolarHBondContact O-N 2.8Å; V8-V10 PolarHBondContact O-N 2.64Å
9	L	33.6	Very low	35.7	Very low	156 Å²	156	132.2 Å²	132.2	82%	0.817	80%	0.799	S	S	*	*			trans	-75.6	103.1	173.6	-155	88.9	0	0	0	108.5	S7 V11	S7-L9 PolarHBondContact O-N 2.7Å; L9-V11 HydrophobicContact CD2-CG2 4.37Å; L9-V11 PolarHBondContact O-N 3.13Å
10	V	33.7	Very low	35.6	Very low	126 Å²	126	131.7 Å²	131.7	76%	0.764	80%	0.796	S	S	*	*			trans	-79.3	103.2	171	178.1	0	0	0	0	107.8	V8 A12	V8-V10 PolarHBondContact O-N 2.64Å; V10-A12 PolarHBondContact O-N 3.16Å
11	V	34	Very low	35.3	Very low	112 Å²	112	131.3 Å²	131.3	68%	0.679	79%	0.794	S	S	*	*			trans	-73.7	102.1	168.2	176.7	0	0	0	0	107.4	L9 L13	L9-V11 HydrophobicContact CD2-CG2 4.37Å; L9-V11 PolarHBondContact O-N 3.13Å; V11-L13 PolarHBondContact O-N 3.31Å
12	A	31.2	Very low	34.6	Very low	81 Å²	81	126.9 Å²	126.9	67%	0.669	78%	0.775	S	S	*	*			trans	-68.5	108.5	169.4	0	0	0	0	0	108.7	V10 V14	V10-A12 PolarHBondContact O-N 3.16Å; A12-V14 PolarHBondContact O-N 3.1Å
13	L	30.3	Very low	34.7	Very low	152 Å²	152	125.1 Å²	125.1	80%	0.796	77%	0.767	S	S	*	*			trans	-68.4	99.7	169.5	-126.8	111.5	0	0	0	107.7	V11 V15	V11-L13 PolarHBondContact O-N 3.31Å; L13-V15 VanDerWaalsContact C-N 3.34Å; L13-V15 HydrophobicContact CD2-CG2 4.43Å; L13-V15 PolarHBondContact O-N 3.45Å
14	V	29.9	Very low	34.4	Very low	132 Å²	132	124.2 Å²	124.2	80%	0.8	77%	0.77	S	S	*	*			trans	-74.2	94.4	169	-179.2	0	0	0	0	106.7	A12 S16	A12-V14 PolarHBondContact O-N 3.1Å; V14-S16 PolarHBondContact O-N 2.87Å; V14-S16 VanDerWaalsContact O-N 3.1Å
15	V	33.9	Very low	35	Very low	118 Å²	118	119.2 Å²	119.2	72%	0.715	76%	0.761	S	S	*	*			trans	-67.8	104.6	164.7	178.7	0	0	0	0	105.9	L13 A17	L13-V15 VanDerWaalsContact C-N 3.34Å; L13-V15 HydrophobicContact CD2-CG2 4.43Å; L13-V15 PolarHBondContact O-N 3.45Å; V15-A17 PolarHBondContact O-N 2.88Å
16	S	31.3	Very low	36.3	Very low	105 Å²	105	115.4 Å²	115.4	73%	0.734	74%	0.741	S	S	*	*			trans	-60.2	103.1	170.1	52.2	0	0	0	0	108	V14 A18	V14-S16 PolarHBondContact O-N 2.87Å; V14-S16 VanDerWaalsContact O-N 3.1Å; S16-A18 PolarHBondContact O-N 3.17Å
17	A	34.8	Very low	38.2	Very low	86 Å²	86	114 Å²	114	71%	0.711	73%	0.727	S	S	*	*			trans	-58.5	118.7	164.2	0	0	0	0	0	106.8	V15 D19	V15-A17 PolarHBondContact O-N 2.88Å; A17-D19 PolarHBondContact O-N 3.33Å
18	A	34.5	Very low	40.8	Very low	88 Å²	88	118.1 Å²	118.1	73%	0.727	72%	0.723	S	S	*	*			trans	-60.5	120.6	170.1	0	0	0	0	0	107.5	S16 V20	S16-A18 PolarHBondContact O-N 3.17Å; A18-V20 PolarHBondContact O-N 3.01Å
19	D	30.3	Very low	43.6	Very low	154 Å²	154	113.9 Å²	113.9	82%	0.824	70%	0.699	S	S	*	*			trans	-60.8	103.5	171.8	-80.5	-46.5	0	0	0	108.6	A17 T21	A17-D19 PolarHBondContact O-N 3.33Å; D19-T21 VanDerWaalsContact C-N 3.25Å; D19-T21 PolarHBondContact O-N 3.03Å
20	V	33.3	Very low	46.7	Very low	122 Å²	122	108.6 Å²	108.6	74%	0.739	67%	0.673	S	S	*	*			trans	-72	90.5	167.2	179.4	0	0	0	0	106.2	A18 L22	A18-V20 PolarHBondContact O-N 3.01Å; V20-L22 HydrophobicContact CG1-CD1 4.23Å; V20-L22 PolarHBondContact O-N 3.15Å
21	T	29.5	Very low	49.7	Very low	124 Å²	124	105.1 Å²	105.1	76%	0.761	66%	0.657	S	S	*	*			trans	-65.9	100.2	166.7	-32.5	0	0	0	0	106.9	D19 C23	D19-T21 VanDerWaalsContact C-N 3.25Å; D19-T21 PolarHBondContact O-N 3.03Å; T21-C23 PolarHBondContact O-N 3.19Å
22	L	30.8	Very low	52.8	Low	153 Å²	153	104.6 Å²	104.6	80%	0.801	64%	0.643	S	S	*	*			trans	-61.5	105.1	171.3	-101	91.6	0	0	0	108.3	V20	V20-L22 HydrophobicContact CG1-CD1 4.23Å; V20-L22 PolarHBondContact O-N 3.15Å
23	C	37.2	Very low	55.9	Low	101 Å²	101	106 Å²	106	68%	0.682	64%	0.64	S	S	*	*			trans	-57.2	141.3	158.2	-77.7	0	0	0	0	108.9	T21 G25	T21-C23 PolarHBondContact O-N 3.19Å; C23-G25 PolarHBondContact O-N 3.17Å
24	A	38.9	Very low	59.1	Low	99 Å²	99	102.6 Å²	102.6	82%	0.818	62%	0.618	S	S	*	*	S	Bend	trans	-42.8	126.2	177	0	0	0	0	0	111.2	I26	A24-I26 PolarHBondContact O-N 2.97Å; A24-I26 VanDerWaalsContact O-N 3.16Å
25	G	52.3	Low	62.3	Low	72 Å²	72	99.5 Å²	99.5	74%	0.742	61%	0.614	S	S	*	*			trans	-60.9	111.8	-155.2	0	0	0	0	0	114.8	C23 N27	C23-G25 PolarHBondContact O-N 3.17Å; G25-N27 PolarHBondContact O-N 3.46Å
26	I	66.6	Low	65.2	Low	81 Å²	81	97.3 Å²	97.3	42%	0.415	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-67.6	127	161.2	-63.9	170.7	0	0	0	107.5	A24 R28 G50	A24-I26 PolarHBondContact O-N 2.97Å; A24-I26 VanDerWaalsContact O-N 3.16Å; I26-R28 PolarHBondContact O-N 2.81Å; I26-G50 WeakPolarHBondContact CG2-O 3.32Å
27	N	83.8	Confident	68.2	Low	82 Å²	82	97 Å²	97	44%	0.439	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-58.9	127.4	174	-76.1	-17.6	0	0	0	109.5	G25 Y47 C48 D49 G50	G25-N27 PolarHBondContact O-N 3.46Å; N27-Y47 HydrophobicContact CB-CE1 4.48Å; N27-Y47 HydrophobicContact CB-CE2 4.17Å; N27-C48 VanDerWaalsContact CB-O 3.24Å; N27-C48 WeakPolarHBondContact CB-O 3.23Å; N27-C48 PolarHBondContact ND2-O 3.25Å; N27-C48 VanDerWaalsContact ND2-O 3.09Å; N27-D49 WeakPolarHBondContact O-CA 3.42Å; N27-D49 WeakPolarHBondContact O-CB 3.18Å; N27-G50 PolarHBondContact O-N 3.39Å
28	R	90.8	Very high	71.2	Confident	212 Å²	212	93.1 Å²	93.1	80%	0.8	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-86.1	154.7	-179.1	-65.5	-173.9	175.4	-171.1	-3.2	111.1	I26 V30 Y47 D49	I26-R28 PolarHBondContact O-N 2.81Å; R28-V30 PolarHBondContact O-N 2.88Å; R28-Y47 PolarHBondContact N-OH 3.46Å; R28-Y47 WeakPolarHBondContact O-CE1 3.43Å; R28-Y47 PolarHBondContact O-OH 2.83Å; R28-D49 VanDerWaalsContact C-CB 3.48Å
29	C	95.6	Very high	74.2	Confident	35 Å²	35	90.1 Å²	90.1	24%	0.236	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-52.8	124.8	173.4	175.8	0	0	0	0	112	A31 C41 R73	C29-A31 PolarHBondContact O-N 2.97Å; C29-C41 HydrophobicContact CB-CB 3.94Å; C29-C41 WeakPolarHBondContact CB-SG 3.44Å; C29-C41 VanDerWaalsContact SG-CA 3.51Å; C29-C41 WeakPolarHBondContact SG-CB 3.39Å; C29-C41 CovalentContact SG-SG 2.02Å; C29-C41 PolarHBondContact SG-SG 3.41Å; C29-R73 HydrophobicContact CB-CB 4.26Å; C29-R73 HydrophobicContact CB-CG 4.16Å
30	V	97.5	Very high	77.5	Confident	46 Å²	46	82.8 Å²	82.8	28%	0.279	49%	0.486	S	S	.	.			trans	-83.7	89	163.9	177	0	0	0	0	107.4	R28 E42 Y47	R28-V30 PolarHBondContact O-N 2.88Å; V30-E42 HydrophobicContact CG1-CB 4.42Å; V30-E42 PolarHBondContact O-N 3.03Å; V30-Y47 HydrophobicContact CG2-CD1 3.8Å; V30-Y47 HydrophobicContact CG2-CE1 3.42Å; V30-Y47 VanDerWaalsContact CG2-CE1 3.42Å
31	A	97.6	Very high	80.6	Confident	53 Å²	53	77 Å²	77	44%	0.438	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	134.4	-173.3	0	0	0	0	0	112.6	C29 V39 V40	C29-A31 PolarHBondContact O-N 2.97Å; A31-V39 HydrophobicContact CB-CB 4.08Å; A31-V39 HydrophobicContact CB-CG1 4.3Å; A31-V39 HydrophobicContact CB-CG2 3.93Å; A31-V40 CarbonylContact C-O 3.52Å; A31-V40 WeakPolarHBondContact CA-O 3.43Å
32	R	98.1	Very high	83.9	Confident	101 Å²	101	72 Å²	72	38%	0.381	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.5	169.2	-60.9	-65.1	-175.3	-131.2	-3.2	109.6	F34 V39 V40 E42	R32-F34 HydrophobicContact CB-CD2 4.2Å; R32-F34 HydrophobicContact CB-CE2 3.61Å; R32-F34 HydrophobicContact CB-CZ 4.45Å; R32-V39 VanDerWaalsContact O-CA 3.3Å; R32-V39 WeakPolarHBondContact O-CA 3.23Å; R32-V39 WeakPolarHBondContact O-CB 3.47Å; R32-V40 HydrophobicContact CB-CG2 3.83Å; R32-V40 PolarHBondContact N-O 2.63Å; R32-V40 PolarHBondContact O-N 3.06Å; R32-E42 HydrophobicContact CG-CB 3.81Å; R32-E42 IonicContact CZ-OE1 3Å; R32-E42 IonicContact CZ-OE2 2.58Å; R32-E42 VanDerWaalsContact NE-CD 3.35Å; R32-E42 IonicContact NE-OE1 3.33Å; R32-E42 PolarHBondContact NE-OE1 3.17Å; R32-E42 IonicContact NE-OE2 3.92Å; R32-E42 PolarHBondContact NE-OE2 2.76Å; R32-E42 IonicContact NH2-OE1 3.64Å; R32-E42 PolarHBondContact NH2-OE1 2.85Å; R32-E42 IonicContact NH2-OE2 3.3Å
33	N	97.4	Very high	87.1	Confident	111 Å²	111	64.8 Å²	64.8	59%	0.594	38%	0.381	S	S	*	.			trans	-106.3	124.3	175.8	-170.6	-24.2	0	0	0	109.1	G35 V39	N33-G35 PolarHBondContact OD1-N 3.11Å; N33-V39 HydrophobicContact CB-CG1 4.16Å
34	F	97.6	Very high	90	Very high	79 Å²	79	62.2 Å²	62.2	35%	0.346	36%	0.361	S	S	.	.			trans	-106.8	14.4	179.2	-73.2	-95.3	0	0	0	113.1	R32 V40 L379 Y437	R32-F34 HydrophobicContact CB-CD2 4.2Å; R32-F34 HydrophobicContact CB-CE2 3.61Å; R32-F34 HydrophobicContact CB-CZ 4.45Å; F34-V40 HydrophobicContact CD2-CG2 3.92Å; F34-V40 HydrophobicContact CE2-CG2 3.59Å; F34-L379 HydrophobicContact CB-CB 3.76Å; F34-L379 HydrophobicContact CD1-CB 4.41Å; F34-L379 HydrophobicContact CD1-CD1 3.69Å; F34-L379 HydrophobicContact CD2-CB 3.78Å; F34-L379 HydrophobicContact CD2-CD1 4.06Å; F34-L379 HydrophobicContact CD2-CG 4.49Å; F34-L379 HydrophobicContact CE1-CD1 3.75Å; F34-L379 HydrophobicContact CE2-CB 4.49Å; F34-L379 HydrophobicContact CE2-CD1 4.12Å; F34-L379 HydrophobicContact CG-CB 3.74Å; F34-L379 HydrophobicContact CG-CD1 3.85Å; F34-L379 HydrophobicContact CG-CG 4.45Å; F34-L379 HydrophobicContact CZ-CD1 3.97Å; F34-Y437 HydrophobicContact CE2-CD1 4.3Å; F34-Y437 HydrophobicContact CE2-CE1 4.11Å; F34-Y437 HydrophobicContact CZ-CD1 4.44Å; F34-Y437 AromaticContact CZ-CE1 3.85Å; F34-Y437 HydrophobicContact CZ-CE1 3.85Å; F34-Y437 HydrophobicContact CZ-CE2 4.16Å; F34-Y437 AromaticContact CZ-CZ 3.7Å
35	G	95.9	Very high	92.8	Very high	68 Å²	68	59.7 Å²	59.7	70%	0.701	34%	0.338	S	S	*	.	S	Bend	trans	93	12.8	177.2	0	0	0	0	0	115	N33	N33-G35 PolarHBondContact OD1-N 3.11Å
36	H	95.6	Very high	94.9	Very high	71 Å²	71	61.9 Å²	61.9	33%	0.329	34%	0.336	S	S	.	.	S	Bend	trans	-102.7	-172.1	175.1	-63.3	-67.5	0	0	0	111.3	S38 L379	H36-S38 PolarHBondContact O-N 3.05Å; H36-L379 PolarHBondContact CD2-O 3.32Å
37	D	93.9	Very high	96.3	Very high	99 Å²	99	61.5 Å²	61.5	53%	0.529	33%	0.33	S	S	.	.	S	Bend	trans	-69.6	-15.7	-167.8	-46.3	-35.8	0	0	0	114.1	M69 W382	D37-M69 HydrophobicContact CB-SD 4.4Å; D37-M69 VanDerWaalsContact O-CG 3.29Å; D37-M69 WeakPolarHBondContact O-CG 3.41Å; D37-W382 HydrophobicContact CB-CB 4.28Å
38	S	98.1	Very high	97	Very high	5 Å²	5	57.8 Å²	57.8	4%	0.035	31%	0.311	C	S	.	.	S	Bend	trans	-151.7	-163.6	177.1	-160.3	0	0	0	0	112.2	H36 M69 R73 G380	H36-S38 PolarHBondContact O-N 3.05Å; S38-M69 WeakPolarHBondContact CB-O 3.41Å; S38-M69 PolarHBondContact OG-O 2.75Å; S38-R73 PolarHBondContact OG-NH2 2.94Å; S38-G380 CarbonylContact C-O 3.52Å; S38-G380 WeakPolarHBondContact CA-O 3.18Å; S38-G380 VanDerWaalsContact CB-O 3.32Å; S38-G380 WeakPolarHBondContact CB-O 3.33Å; S38-G380 PolarHBondContact N-O 3Å
39	V	98.3	Very high	97.2	Very high	24 Å²	24	47.9 Å²	47.9	15%	0.145	27%	0.274	C	S	.	.			trans	-110.4	152.4	-175.9	-59.6	0	0	0	0	112.5	A31 R32 N33 R73	A31-V39 HydrophobicContact CB-CB 4.08Å; A31-V39 HydrophobicContact CB-CG1 4.3Å; A31-V39 HydrophobicContact CB-CG2 3.93Å; R32-V39 VanDerWaalsContact O-CA 3.3Å; R32-V39 WeakPolarHBondContact O-CA 3.23Å; R32-V39 WeakPolarHBondContact O-CB 3.47Å; N33-V39 HydrophobicContact CB-CG1 4.16Å; V39-R73 PolarHBondContact O-NH2 3.15Å
40	V	98.6	Very high	96.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	162.7	162.1	-57	0	0	0	0	110.2	A31 R32 F34 L379 Y437 K438	A31-V40 CarbonylContact C-O 3.52Å; A31-V40 WeakPolarHBondContact CA-O 3.43Å; R32-V40 HydrophobicContact CB-CG2 3.83Å; R32-V40 PolarHBondContact N-O 2.63Å; R32-V40 PolarHBondContact O-N 3.06Å; F34-V40 HydrophobicContact CD2-CG2 3.92Å; F34-V40 HydrophobicContact CE2-CG2 3.59Å; V40-L379 HydrophobicContact CG1-CB 4.14Å; V40-L379 HydrophobicContact CG1-CD2 4.08Å; V40-Y437 HydrophobicContact CG2-CD1 3.7Å; V40-Y437 HydrophobicContact CG2-CG 3.98Å; V40-K438 WeakPolarHBondContact CA-O 3.3Å
41	C	98.6	Very high	96.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118	169.9	-53.4	0	0	0	0	109.8	C29 D49 Y437 K438 Y443	C29-C41 HydrophobicContact CB-CB 3.94Å; C29-C41 WeakPolarHBondContact CB-SG 3.44Å; C29-C41 VanDerWaalsContact SG-CA 3.51Å; C29-C41 WeakPolarHBondContact SG-CB 3.39Å; C29-C41 CovalentContact SG-SG 2.02Å; C29-C41 PolarHBondContact SG-SG 3.41Å; C41-D49 WeakPolarHBondContact CB-OD1 3.37Å; C41-Y437 WeakPolarHBondContact O-CA 3.43Å; C41-K438 HydrophobicContact CB-CB 4.36Å; C41-K438 PolarHBondContact N-O 3.44Å; C41-K438 PolarHBondContact O-N 2.85Å; C41-Y443 WeakPolarHBondContact CB-OH 3.32Å; C41-Y443 VanDerWaalsContact SG-CZ 3.58Å; C41-Y443 PolarHBondContact SG-OH 3.06Å
42	E	98.6	Very high	95.1	Very high	20 Å²	20	43.2 Å²	43.2	9%	0.093	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.9	179.4	-175.3	179.4	94.8	0	0	110.4	V30 R32 R433 V435 Y437	V30-E42 HydrophobicContact CG1-CB 4.42Å; V30-E42 PolarHBondContact O-N 3.03Å; R32-E42 HydrophobicContact CG-CB 3.81Å; R32-E42 IonicContact CZ-OE1 3Å; R32-E42 IonicContact CZ-OE2 2.58Å; R32-E42 VanDerWaalsContact NE-CD 3.35Å; R32-E42 IonicContact NE-OE1 3.33Å; R32-E42 PolarHBondContact NE-OE1 3.17Å; R32-E42 IonicContact NE-OE2 3.92Å; R32-E42 PolarHBondContact NE-OE2 2.76Å; R32-E42 IonicContact NH2-OE1 3.64Å; R32-E42 PolarHBondContact NH2-OE1 2.85Å; R32-E42 IonicContact NH2-OE2 3.3Å; E42-R433 IonicContact OE1-NH2 3.96Å; E42-R433 IonicContact OE2-CZ 3.83Å; E42-R433 IonicContact OE2-NH2 2.83Å; E42-R433 PolarHBondContact OE2-NH2 2.89Å; E42-V435 HydrophobicContact CG-CB 4.23Å; E42-V435 HydrophobicContact CG-CG1 4.36Å; E42-V435 HydrophobicContact CG-CG2 4.47Å; E42-Y437 HydrophobicContact CB-CD1 4.1Å; E42-Y437 HydrophobicContact CB-CE1 4.16Å; E42-Y437 HydrophobicContact CG-CD1 4.23Å; E42-Y437 HydrophobicContact CG-CE1 3.89Å
43	C	98.6	Very high	93.9	Very high	1 Å²	1	43 Å²	43	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	151.8	176	-66.9	0	0	0	0	110.5	Y47 C48 V435 F436	C43-Y47 CarbonylContact C-O 3.42Å; C43-Y47 WeakPolarHBondContact CA-O 3.37Å; C43-C48 HydrophobicContact CB-CB 3.57Å; C43-C48 WeakPolarHBondContact CB-SG 3.28Å; C43-C48 WeakPolarHBondContact SG-CA 3.46Å; C43-C48 WeakPolarHBondContact SG-CB 3.24Å; C43-C48 CovalentContact SG-SG 2.04Å; C43-C48 PolarHBondContact SG-SG 3.14Å; C43-V435 CarbonylContact O-C 3.48Å; C43-V435 WeakPolarHBondContact O-CA 3.46Å; C43-V435 VanDerWaalsContact O-CB 3.25Å; C43-V435 WeakPolarHBondContact O-CB 3.29Å; C43-F436 HydrophobicContact CB-CD1 3.97Å; C43-F436 HydrophobicContact CB-CD2 3.93Å; C43-F436 HydrophobicContact CB-CE1 3.48Å; C43-F436 VanDerWaalsContact CB-CE1 3.48Å; C43-F436 HydrophobicContact CB-CE2 3.44Å; C43-F436 VanDerWaalsContact CB-CE2 3.44Å; C43-F436 HydrophobicContact CB-CG 4.18Å; C43-F436 HydrophobicContact CB-CZ 3.2Å; C43-F436 PolarHBondContact N-O 2.86Å; C43-F436 PolarHBondContact O-N 3.04Å
44	N	98.3	Very high	92.9	Very high	48 Å²	48	39 Å²	39	26%	0.257	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	-169.8	177.7	68.4	36.8	0	0	0	110.3	T46 Y47 Q128 V435	N44-T46 PolarHBondContact O-N 3.34Å; N44-T46 WeakPolarHBondContact OD1-CA 3.49Å; N44-T46 PolarHBondContact OD1-N 3.47Å; N44-T46 PolarHBondContact OD1-OG1 3.38Å; N44-Y47 PolarHBondContact N-O 2.77Å; N44-Y47 PolarHBondContact OD1-N 2.95Å; N44-Q128 WeakPolarHBondContact O-CG 3.3Å; N44-V435 HydrophobicContact CB-CG1 4Å
45	S	97.6	Very high	91.8	Very high	46 Å²	46	39.3 Å²	39.3	32%	0.322	25%	0.248	S	C	.	.	S	Bend	trans	-63.1	-20.7	-178.6	54.5	0	0	0	0	115.6
46	T	96.1	Very high	91.3	Very high	117 Å²	117	37.4 Å²	37.4	72%	0.718	22%	0.222	S	C	*	.	S	Bend	trans	-114.8	-17.1	-174.4	62.6	0	0	0	0	114	N44	N44-T46 PolarHBondContact O-N 3.34Å; N44-T46 WeakPolarHBondContact OD1-CA 3.49Å; N44-T46 PolarHBondContact OD1-N 3.47Å; N44-T46 PolarHBondContact OD1-OG1 3.38Å
47	Y	96.8	Very high	91	Very high	73 Å²	73	34.4 Å²	34.4	29%	0.286	21%	0.208	S	C	.	.			trans	-144.4	133.4	-175.5	-168.7	-86.2	0	0	0	111.4	N27 R28 V30 C43 N44	N27-Y47 HydrophobicContact CB-CE1 4.48Å; N27-Y47 HydrophobicContact CB-CE2 4.17Å; R28-Y47 PolarHBondContact N-OH 3.46Å; R28-Y47 WeakPolarHBondContact O-CE1 3.43Å; R28-Y47 PolarHBondContact O-OH 2.83Å; V30-Y47 HydrophobicContact CG2-CD1 3.8Å; V30-Y47 HydrophobicContact CG2-CE1 3.42Å; V30-Y47 VanDerWaalsContact CG2-CE1 3.42Å; C43-Y47 CarbonylContact C-O 3.42Å; C43-Y47 WeakPolarHBondContact CA-O 3.37Å; N44-Y47 PolarHBondContact N-O 2.77Å; N44-Y47 PolarHBondContact OD1-N 2.95Å
48	C	96.9	Very high	91	Very high	4 Å²	4	34 Å²	34	3%	0.027	21%	0.211	C	C	.	.			trans	-151.3	146.7	162.6	-163.6	0	0	0	0	108.8	N27 C43 Q132	N27-C48 VanDerWaalsContact CB-O 3.24Å; N27-C48 WeakPolarHBondContact CB-O 3.23Å; N27-C48 PolarHBondContact ND2-O 3.25Å; N27-C48 VanDerWaalsContact ND2-O 3.09Å; C43-C48 HydrophobicContact CB-CB 3.57Å; C43-C48 WeakPolarHBondContact CB-SG 3.28Å; C43-C48 WeakPolarHBondContact SG-CA 3.46Å; C43-C48 WeakPolarHBondContact SG-CB 3.24Å; C43-C48 CovalentContact SG-SG 2.04Å; C43-C48 PolarHBondContact SG-SG 3.14Å; C48-Q132 WeakPolarHBondContact SG-CG 3.21Å; C48-Q132 PolarHBondContact SG-NE2 3.24Å; C48-Q132 VanDerWaalsContact SG-NE2 3.44Å
49	D	94.6	Very high	90.8	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.027	23%	0.234	C	C	.	.			trans	-69.7	154.2	170.7	72.4	-74.1	0	0	0	110	N27 R28 C41 Q132 K438 Y443	N27-D49 WeakPolarHBondContact O-CA 3.42Å; N27-D49 WeakPolarHBondContact O-CB 3.18Å; R28-D49 VanDerWaalsContact C-CB 3.48Å; C41-D49 WeakPolarHBondContact CB-OD1 3.37Å; D49-Q132 PolarHBondContact O-NE2 2.84Å; D49-Q132 VanDerWaalsContact O-NE2 3.1Å; D49-Q132 PolarHBondContact O-OE1 2.84Å; D49-K438 PolarHBondContact O-NZ 3.33Å; D49-K438 WeakPolarHBondContact OD1-CD 3.16Å; D49-K438 IonicContact OD1-NZ 2.75Å; D49-K438 PolarHBondContact OD1-NZ 3.06Å; D49-K438 VanDerWaalsContact OD1-NZ 3.11Å; D49-K438 IonicContact OD2-NZ 3.03Å; D49-K438 PolarHBondContact OD2-NZ 2.94Å; D49-Y443 PolarHBondContact OD1-OH 3.39Å; D49-Y443 PolarHBondContact OD2-OH 3.32Å
50	G	87.1	Confident	90.6	Very high	19 Å²	19	38.6 Å²	38.6	20%	0.196	24%	0.24	C	C	.	.			trans	-133.5	157.9	179.9	0	0	0	0	0	111	I26 N27	I26-G50 WeakPolarHBondContact CG2-O 3.32Å; N27-G50 PolarHBondContact O-N 3.39Å
51	V	83.8	Confident	90.5	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	25%	0.252	C	S	.	.			trans	-81	-28.9	168.4	-177.9	0	0	0	0	109.8	M74 E137 I139 A446 A450	V51-M74 HydrophobicContact CG1-CB 4.39Å; V51-M74 HydrophobicContact CG1-CE 3.81Å; V51-M74 HydrophobicContact CG1-CG 4.44Å; V51-M74 HydrophobicContact CG2-CB 4.23Å; V51-M74 HydrophobicContact CG2-CG 3.91Å; V51-E137 PolarHBondContact N-O 3.37Å; V51-E137 VanDerWaalsContact N-O 3.12Å; V51-I139 HydrophobicContact CG2-CG2 3.86Å; V51-A446 HydrophobicContact CG2-CB 4.24Å; V51-A450 HydrophobicContact CG1-CB 4.47Å
52	G	76.3	Confident	90.4	Very high	10 Å²	10	42.2 Å²	42.2	10%	0.103	26%	0.256	C	S	.	.			trans	72.9	170.6	-175	0	0	0	0	0	112.1	V54 K136 E137	G52-V54 PolarHBondContact O-N 2.86Å; G52-K136 CarbonylContact C-O 3.57Å; G52-E137 PolarHBondContact N-O 3.28Å
53	P	72.8	Confident	90.3	Very high	96 Å²	96	41.3 Å²	41.3	62%	0.623	25%	0.252	S	S	*	.			trans	-64.5	129.4	175.5	27	-32.9	0	0	0	110.1	S55	P53-S55 VanDerWaalsContact C-N 3.28Å; P53-S55 PolarHBondContact O-N 3.48Å
54	V	77	Confident	90.2	Very high	26 Å²	26	42.6 Å²	42.6	16%	0.158	26%	0.26	C	S	.	.			trans	-70.1	86	172.9	-177.6	0	0	0	0	109.1	G52 L56 Y65 A450 F451	G52-V54 PolarHBondContact O-N 2.86Å; V54-L56 HydrophobicContact CG1-CD2 4.45Å; V54-Y65 HydrophobicContact CG1-CE2 4.4Å; V54-A450 HydrophobicContact CG2-CB 4.36Å; V54-F451 HydrophobicContact CB-CD1 4.47Å; V54-F451 HydrophobicContact CB-CE1 4.22Å; V54-F451 HydrophobicContact CG1-CD1 3.7Å; V54-F451 HydrophobicContact CG1-CE1 3.5Å; V54-F451 VanDerWaalsContact CG1-CE1 3.5Å; V54-F451 HydrophobicContact CG2-CD1 3.97Å; V54-F451 HydrophobicContact CG2-CE1 3.57Å; V54-F451 HydrophobicContact CG2-CE2 4.46Å; V54-F451 HydrophobicContact CG2-CZ 3.84Å
55	S	74.7	Confident	90.2	Very high	87 Å²	87	41.1 Å²	41.1	61%	0.608	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-84.8	122	170.4	-177.6	0	0	0	0	109.2	P53	P53-S55 VanDerWaalsContact C-N 3.28Å; P53-S55 PolarHBondContact O-N 3.48Å
56	L	85.8	Confident	90.2	Very high	28 Å²	28	40.5 Å²	40.5	15%	0.147	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-81	146.2	172.3	-67.5	-173.2	0	0	0	111.7	V54 R476 S480 A518 N520	V54-L56 HydrophobicContact CG1-CD2 4.45Å; L56-R476 VanDerWaalsContact CG-NH2 3.26Å; L56-S480 WeakPolarHBondContact CD1-OG 3.14Å; L56-A518 HydrophobicContact CD2-CB 3.52Å; L56-N520 WeakPolarHBondContact CD1-OD1 3.42Å
57	P	89.1	Confident	90.3	Very high	8 Å²	8	35 Å²	35	5%	0.052	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-77.1	166.2	176.4	36	-35.3	0	0	0	110.2	Q61 S63 N520	P57-Q61 HydrophobicContact CB-CB 3.65Å; P57-Q61 HydrophobicContact CG-CB 3.66Å; P57-S63 WeakPolarHBondContact CD-OG 3.33Å; P57-N520 PolarHBondContact O-ND2 3.32Å
58	P	92.7	Very high	90.4	Very high	89 Å²	89	31.7 Å²	31.7	58%	0.578	20%	0.198	S	C	*	.	P	Polyproline II helix	trans	-56	161.5	177.1	-24.5	34.5	0	0	0	113.4	G60 Q61	P58-G60 PolarHBondContact O-N 3.13Å; P58-Q61 WeakPolarHBondContact O-CB 3.42Å; P58-Q61 PolarHBondContact O-N 3.37Å
59	L	93.8	Very high	90.4	Very high	100 Å²	100	35 Å²	35	52%	0.524	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	138	175.5	-171.1	68.2	0	0	0	111.3	Q61 V502 N520	L59-Q61 VanDerWaalsContact C-N 3.34Å; L59-V502 HydrophobicContact CD1-CG1 3.94Å; L59-N520 HydrophobicContact CD1-CB 4.45Å; L59-N520 VanDerWaalsContact CD1-O 3.32Å; L59-N520 WeakPolarHBondContact CD1-O 3.24Å
60	G	94.1	Very high	90.6	Very high	27 Å²	27	39.6 Å²	39.6	28%	0.278	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	-1.2	-173.3	0	0	0	0	0	114.2	P58 Q80 V81	P58-G60 PolarHBondContact O-N 3.13Å; G60-Q80 PolarHBondContact O-OE1 3Å; G60-V81 WeakPolarHBondContact O-CB 3.3Å; G60-V81 WeakPolarHBondContact O-CG2 3.3Å; G60-V81 PolarHBondContact O-N 3.27Å
61	Q	96.5	Very high	91	Very high	52 Å²	52	40 Å²	40	24%	0.243	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	161.6	172.2	-61.7	-175.5	25.2	0	0	111.2	P57 P58 L59 G79 Q80	P57-Q61 HydrophobicContact CB-CB 3.65Å; P57-Q61 HydrophobicContact CG-CB 3.66Å; P58-Q61 WeakPolarHBondContact O-CB 3.42Å; P58-Q61 PolarHBondContact O-N 3.37Å; L59-Q61 VanDerWaalsContact C-N 3.34Å; Q61-G79 VanDerWaalsContact CA-O 3.32Å; Q61-G79 WeakPolarHBondContact CA-O 3.42Å; Q61-Q80 VanDerWaalsContact CD-NE2 3.26Å
62	Y	96.6	Very high	91.6	Very high	23 Å²	23	40.8 Å²	40.8	9%	0.09	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	153.8	174.3	66.7	-84.8	0	0	0	110.6	T64 Q78 G79 V81 I505 P506	Y62-T64 HydrophobicContact CD2-CG2 3.82Å; Y62-T64 HydrophobicContact CE2-CG2 3.7Å; Y62-Q78 WeakPolarHBondContact O-CA 3.37Å; Y62-G79 VanDerWaalsContact CD1-C 3.47Å; Y62-G79 VanDerWaalsContact CD1-O 3.29Å; Y62-G79 WeakPolarHBondContact CD1-O 3.34Å; Y62-G79 VanDerWaalsContact CE1-CA 3.47Å; Y62-G79 PolarHBondContact N-O 2.75Å; Y62-G79 PolarHBondContact O-N 3.43Å; Y62-V81 HydrophobicContact CD1-CG2 4.27Å; Y62-I505 HydrophobicContact CD1-CB 4.44Å; Y62-I505 HydrophobicContact CD1-CG1 4.14Å; Y62-I505 HydrophobicContact CD1-CG2 3.73Å; Y62-I505 HydrophobicContact CD2-CG2 3.62Å; Y62-I505 HydrophobicContact CE1-CB 4.49Å; Y62-I505 HydrophobicContact CE1-CG2 3.7Å; Y62-I505 HydrophobicContact CE2-CG2 3.58Å; Y62-I505 HydrophobicContact CG-CD1 4.38Å; Y62-I505 HydrophobicContact CG-CG1 4.41Å; Y62-I505 HydrophobicContact CG-CG2 3.69Å; Y62-P506 PolarHBondContact OH-O 3.31Å
63	S	96.8	Very high	92.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.014	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.5	169.6	-71.9	0	0	0	0	110.5	P57 G77 A517 A518	P57-S63 WeakPolarHBondContact CD-OG 3.33Å; S63-G77 CarbonylContact C-O 3.53Å; S63-G77 WeakPolarHBondContact CA-O 3.47Å; S63-A517 CarbonylContact O-C 3.21Å; S63-A517 WeakPolarHBondContact O-CA 3.17Å; S63-A518 PolarHBondContact N-O 2.65Å; S63-A518 PolarHBondContact O-N 3.15Å
64	T	96.8	Very high	93.7	Very high	28 Å²	28	37.4 Å²	37.4	17%	0.172	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	149.4	171.8	55.3	0	0	0	0	110.1	Y62 P76 G77 L515 T516 A517	Y62-T64 HydrophobicContact CD2-CG2 3.82Å; Y62-T64 HydrophobicContact CE2-CG2 3.7Å; T64-P76 CarbonylContact O-C 3.56Å; T64-P76 WeakPolarHBondContact O-CA 3.47Å; T64-G77 PolarHBondContact N-O 2.94Å; T64-G77 PolarHBondContact O-N 3.36Å; T64-G77 WeakPolarHBondContact OG1-CA 3.36Å; T64-L515 HydrophobicContact CG2-CD1 4.16Å; T64-T516 CarbonylContact C-O 3.5Å; T64-T516 VanDerWaalsContact CA-O 3.24Å; T64-T516 WeakPolarHBondContact CA-O 3.43Å; T64-A517 HydrophobicContact CG2-CB 4.3Å
65	Y	97.3	Very high	94.5	Very high	17 Å²	17	41 Å²	41	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124	173.3	-61	-98.7	0	0	0	107.5	V54 M74 E75 P76 H447 F451 L515 T516	V54-Y65 HydrophobicContact CG1-CE2 4.4Å; Y65-M74 HydrophobicContact CD1-CE 4.02Å; Y65-M74 HydrophobicContact CG-CE 4.01Å; Y65-E75 WeakPolarHBondContact CA-O 3.39Å; Y65-P76 HydrophobicContact CD1-CB 4.43Å; Y65-P76 HydrophobicContact CE1-CB 4.3Å; Y65-H447 PolarHBondContact O-CE1 2.96Å; Y65-H447 VanDerWaalsContact O-CE1 3.24Å; Y65-F451 AromaticContact CD1-CZ 3.94Å; Y65-F451 HydrophobicContact CD1-CZ 3.94Å; Y65-F451 AromaticContact CD2-CE1 3.36Å; Y65-F451 HydrophobicContact CD2-CE1 3.36Å; Y65-F451 AromaticContact CD2-CZ 3.42Å; Y65-F451 HydrophobicContact CD2-CZ 3.42Å; Y65-F451 VanDerWaalsContact CD2-CZ 3.42Å; Y65-F451 HydrophobicContact CE1-CZ 4.24Å; Y65-F451 AromaticContact CE2-CE1 3.42Å; Y65-F451 HydrophobicContact CE2-CE1 3.42Å; Y65-F451 VanDerWaalsContact CE2-CE1 3.42Å; Y65-F451 AromaticContact CE2-CZ 3.82Å; Y65-F451 HydrophobicContact CE2-CZ 3.82Å; Y65-F451 AromaticContact CG-CE1 3.97Å; Y65-F451 HydrophobicContact CG-CE1 3.97Å; Y65-F451 AromaticContact CG-CZ 3.51Å; Y65-F451 HydrophobicContact CG-CZ 3.51Å; Y65-L515 WeakPolarHBondContact O-CA 3.39Å; Y65-T516 PolarHBondContact N-O 2.98Å; Y65-T516 PolarHBondContact O-N 3.33Å
66	L	97.9	Very high	95.4	Very high	32 Å²	32	41 Å²	41	17%	0.168	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.7	-173.3	176.4	68.2	0	0	0	110.9	S72 M74 E75 P510 L514 L515	L66-S72 WeakPolarHBondContact O-CB 3.49Å; L66-M74 PolarHBondContact O-N 3.24Å; L66-M74 VanDerWaalsContact O-N 3.17Å; L66-E75 HydrophobicContact CB-CB 4.41Å; L66-E75 PolarHBondContact N-O 3.45Å; L66-E75 PolarHBondContact O-N 3.23Å; L66-P510 HydrophobicContact CD1-CG 4.23Å; L66-P510 HydrophobicContact CD2-CG 4.14Å; L66-L514 WeakPolarHBondContact CA-O 3.45Å; L66-L515 HydrophobicContact CB-CD1 4.49Å
67	S	98.6	Very high	95.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.5	160.8	-56	0	0	0	0	109.5	S72 M74 W382 H447 S513 L514	S67-S72 VanDerWaalsContact CA-O 3.22Å; S67-S72 WeakPolarHBondContact CA-O 3.26Å; S67-M74 PolarHBondContact OG-N 2.96Å; S67-W382 VanDerWaalsContact C-CH2 3.43Å; S67-H447 WeakPolarHBondContact CB-NE2 3.18Å; S67-H447 PolarHBondContact N-NE2 3.01Å; S67-H447 PolarHBondContact OG-NE2 2.91Å; S67-S513 CarbonylContact O-C 3.53Å; S67-S513 VanDerWaalsContact O-CA 3.29Å; S67-S513 WeakPolarHBondContact O-CA 3.24Å; S67-S513 WeakPolarHBondContact O-CB 3.37Å; S67-L514 PolarHBondContact N-O 3.42Å; S67-L514 PolarHBondContact O-N 2.99Å
68	S	98.5	Very high	96.1	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	157.1	-177.6	67.8	0	0	0	0	112.8	A70 G71 S72 R73 W382 H512	S68-A70 PolarHBondContact O-N 3.08Å; S68-G71 PolarHBondContact O-N 3.44Å; S68-S72 PolarHBondContact N-O 3.3Å; S68-S72 WeakPolarHBondContact OG-CB 3.41Å; S68-S72 PolarHBondContact OG-N 3.1Å; S68-S72 PolarHBondContact OG-OG 3.21Å; S68-R73 PolarHBondContact O-NH1 3.32Å; S68-W382 VanDerWaalsContact N-CH2 3.28Å; S68-W382 WeakPolarHBondContact O-CZ3 3.5Å; S68-H512 WeakPolarHBondContact CA-O 3.17Å
69	M	98.4	Very high	96.2	Very high	74 Å²	74	43.1 Å²	43.1	37%	0.365	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.6	170.9	-168.5	178.3	83.9	0	0	111.7	D37 S38 G71 W382 H512	D37-M69 HydrophobicContact CB-SD 4.4Å; D37-M69 VanDerWaalsContact O-CG 3.29Å; D37-M69 WeakPolarHBondContact O-CG 3.41Å; S38-M69 WeakPolarHBondContact CB-O 3.41Å; S38-M69 PolarHBondContact OG-O 2.75Å; M69-G71 PolarHBondContact O-N 3.49Å; M69-W382 VanDerWaalsContact CA-CD2 3.42Å; M69-W382 HydrophobicContact CB-CB 4.19Å; M69-W382 HydrophobicContact CB-CD2 3.79Å; M69-W382 HydrophobicContact CB-CG 3.55Å; M69-W382 HydrophobicContact CG-CB 3.75Å; M69-W382 HydrophobicContact CG-CD2 4.35Å; M69-W382 HydrophobicContact CG-CG 3.66Å; M69-W382 VanDerWaalsContact N-CE2 3.33Å; M69-W382 HydrophobicContact SD-CB 4.5Å; M69-W382 HydrophobicContact SD-CG 4.48Å; M69-H512 HydrophobicContact CB-CB 3.71Å; M69-H512 PolarHBondContact N-O 3.03Å; M69-H512 HydrophobicContact SD-CB 4.17Å
70	A	97.2	Very high	96.3	Very high	101 Å²	101	43.8 Å²	43.8	84%	0.835	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.4	178.5	0	0	0	0	0	114.5	S68	S68-A70 PolarHBondContact O-N 3.08Å
71	G	95.9	Very high	96.4	Very high	28 Å²	28	43.6 Å²	43.6	29%	0.289	25%	0.253	S	S	.	.	S	Bend	trans	119.5	2	172	0	0	0	0	0	115.6	S68 M69	S68-G71 PolarHBondContact O-N 3.44Å; M69-G71 PolarHBondContact O-N 3.49Å
72	S	96.8	Very high	96.4	Very high	23 Å²	23	47.3 Å²	47.3	16%	0.161	27%	0.265	C	S	.	.			trans	-63.3	137.8	169.6	-58.6	0	0	0	0	109.4	L66 S67 S68 E75	L66-S72 WeakPolarHBondContact O-CB 3.49Å; S67-S72 VanDerWaalsContact CA-O 3.22Å; S67-S72 WeakPolarHBondContact CA-O 3.26Å; S68-S72 PolarHBondContact N-O 3.3Å; S68-S72 WeakPolarHBondContact OG-CB 3.41Å; S68-S72 PolarHBondContact OG-N 3.1Å; S68-S72 PolarHBondContact OG-OG 3.21Å; S72-E75 WeakPolarHBondContact CB-OE2 3.46Å; S72-E75 PolarHBondContact OG-OE2 3.39Å
73	R	96.9	Very high	96.2	Very high	25 Å²	25	52.2 Å²	52.2	9%	0.094	30%	0.297	C	S	.	.	S	Bend	trans	-137.4	97.8	-177.6	-65.4	-67.7	-179.9	-89.3	4.6	108.4	C29 S38 V39 S68 E75 Y443	C29-R73 HydrophobicContact CB-CB 4.26Å; C29-R73 HydrophobicContact CB-CG 4.16Å; S38-R73 PolarHBondContact OG-NH2 2.94Å; V39-R73 PolarHBondContact O-NH2 3.15Å; S68-R73 PolarHBondContact O-NH1 3.32Å; R73-E75 PolarHBondContact O-N 3.38Å; R73-E75 VanDerWaalsContact O-N 3.11Å; R73-Y443 HydrophobicContact CB-CD1 4.09Å; R73-Y443 HydrophobicContact CB-CE1 3.94Å; R73-Y443 VanDerWaalsContact CD-CD2 3.42Å; R73-Y443 HydrophobicContact CG-CE1 4.49Å; R73-Y443 HydrophobicContact CG-CE2 4.39Å
74	M	96.3	Very high	96	Very high	10 Å²	10	58.1 Å²	58.1	5%	0.049	33%	0.328	C	S	.	.	S	Bend	trans	49	37.5	-174.6	-65.8	-58.6	-60.7	0	0	112.6	V51 Y65 L66 S67 P76 Y443 A446 H447 F451	V51-M74 HydrophobicContact CG1-CB 4.39Å; V51-M74 HydrophobicContact CG1-CE 3.81Å; V51-M74 HydrophobicContact CG1-CG 4.44Å; V51-M74 HydrophobicContact CG2-CB 4.23Å; V51-M74 HydrophobicContact CG2-CG 3.91Å; Y65-M74 HydrophobicContact CD1-CE 4.02Å; Y65-M74 HydrophobicContact CG-CE 4.01Å; L66-M74 PolarHBondContact O-N 3.24Å; L66-M74 VanDerWaalsContact O-N 3.17Å; S67-M74 PolarHBondContact OG-N 2.96Å; M74-P76 WeakPolarHBondContact O-CD 3.28Å; M74-Y443 HydrophobicContact CG-CD1 3.9Å; M74-A446 HydrophobicContact CE-CB 4.47Å; M74-A446 HydrophobicContact CG-CB 4.02Å; M74-A446 HydrophobicContact SD-CB 3.91Å; M74-H447 VanDerWaalsContact SD-CD2 3.59Å; M74-H447 PolarHBondContact SD-NE2 3.22Å; M74-F451 HydrophobicContact CE-CE2 3.3Å; M74-F451 HydrophobicContact CE-CZ 3.52Å
75	E	94.9	Very high	95.8	Very high	102 Å²	102	59 Å²	59	48%	0.477	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	116.8	-175.6	-177.4	173.5	-170.2	0	0	109.5	Y65 L66 S72 R73	Y65-E75 WeakPolarHBondContact CA-O 3.39Å; L66-E75 HydrophobicContact CB-CB 4.41Å; L66-E75 PolarHBondContact N-O 3.45Å; L66-E75 PolarHBondContact O-N 3.23Å; S72-E75 WeakPolarHBondContact CB-OE2 3.46Å; S72-E75 PolarHBondContact OG-OE2 3.39Å; R73-E75 PolarHBondContact O-N 3.38Å; R73-E75 VanDerWaalsContact O-N 3.11Å
76	P	93.6	Very high	95.2	Very high	85 Å²	85	60.5 Å²	60.5	55%	0.552	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	140.2	-174.7	31.1	-34.5	0	0	0	110.9	T64 Y65 M74	T64-P76 CarbonylContact O-C 3.56Å; T64-P76 WeakPolarHBondContact O-CA 3.47Å; Y65-P76 HydrophobicContact CD1-CB 4.43Å; Y65-P76 HydrophobicContact CE1-CB 4.3Å; M74-P76 WeakPolarHBondContact O-CD 3.28Å
77	G	93.4	Very high	94.5	Very high	25 Å²	25	62.1 Å²	62.1	26%	0.258	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	161.1	169.7	0	0	0	0	0	110.7	S63 T64	S63-G77 CarbonylContact C-O 3.53Å; S63-G77 WeakPolarHBondContact CA-O 3.47Å; T64-G77 PolarHBondContact N-O 2.94Å; T64-G77 PolarHBondContact O-N 3.36Å; T64-G77 WeakPolarHBondContact OG1-CA 3.36Å
78	Q	94.9	Very high	93.8	Very high	130 Å²	130	63.4 Å²	63.4	61%	0.607	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140	151.1	175.9	-70.2	-175.7	-8.6	0	0	110	Y62	Y62-Q78 WeakPolarHBondContact O-CA 3.37Å
79	G	95.1	Very high	93.3	Very high	15 Å²	15	66.7 Å²	66.7	16%	0.155	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	172.4	176.6	0	0	0	0	0	112.8	Q61 Y62	Q61-G79 VanDerWaalsContact CA-O 3.32Å; Q61-G79 WeakPolarHBondContact CA-O 3.42Å; Y62-G79 VanDerWaalsContact CD1-C 3.47Å; Y62-G79 VanDerWaalsContact CD1-O 3.29Å; Y62-G79 WeakPolarHBondContact CD1-O 3.34Å; Y62-G79 VanDerWaalsContact CE1-CA 3.47Å; Y62-G79 PolarHBondContact N-O 2.75Å; Y62-G79 PolarHBondContact O-N 3.43Å
80	Q	96.4	Very high	93.2	Very high	114 Å²	114	63.9 Å²	63.9	53%	0.533	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.2	177.8	-61.5	-67.1	-35.7	0	0	110.1	G60 Q61	G60-Q80 PolarHBondContact O-OE1 3Å; Q61-Q80 VanDerWaalsContact CD-NE2 3.26Å
81	V	96.4	Very high	93.3	Very high	23 Å²	23	62.6 Å²	62.6	14%	0.139	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-67	134.5	169.8	-175.7	0	0	0	0	108.3	G60 Y62 V502 I505	G60-V81 WeakPolarHBondContact O-CB 3.3Å; G60-V81 WeakPolarHBondContact O-CG2 3.3Å; G60-V81 PolarHBondContact O-N 3.27Å; Y62-V81 HydrophobicContact CD1-CG2 4.27Å; V81-V502 HydrophobicContact CG1-CB 4.28Å; V81-V502 HydrophobicContact CG1-CG2 4.23Å; V81-V502 VanDerWaalsContact CG1-O 3.26Å; V81-V502 WeakPolarHBondContact CG1-O 3.29Å; V81-I505 HydrophobicContact CG1-CG1 4.4Å; V81-I505 HydrophobicContact CG2-CD1 4.45Å; V81-I505 HydrophobicContact CG2-CG1 4.09Å
82	R	95.9	Very high	93.4	Very high	131 Å²	131	61.3 Å²	61.3	49%	0.494	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-99.1	142.6	-178.9	-61.6	-176.7	179.2	-165.8	3.9	110.4	N84 Y504	R82-N84 WeakPolarHBondContact CB-O 3.4Å; R82-Y504 PolarHBondContact N-O 3.32Å; R82-Y504 PolarHBondContact O-N 2.77Å
83	V	92.6	Very high	93.5	Very high	125 Å²	125	61.4 Å²	61.4	76%	0.758	36%	0.362	S	S	*	.	S	Bend	trans	-71.9	-37.3	175.1	-179.2	0	0	0	0	111.3	Y504	V83-Y504 WeakPolarHBondContact O-CD2 3.34Å; V83-Y504 WeakPolarHBondContact O-CE2 3.26Å
84	N	92.8	Very high	93.5	Very high	126 Å²	126	60.3 Å²	60.3	67%	0.674	36%	0.358	S	S	*	.	S	Bend	trans	-107.1	149.1	-178.8	-64.9	-37.8	0	0	0	110.9	R82 Y504	R82-N84 WeakPolarHBondContact CB-O 3.4Å; N84-Y504 VanDerWaalsContact C-CD2 3.41Å
85	S	91.2	Very high	93.6	Very high	46 Å²	46	60.5 Å²	60.5	32%	0.322	36%	0.36	S	S	.	.			trans	-53.9	145.6	171.3	172.8	0	0	0	0	111.1	G87 R91 E496	S85-G87 PolarHBondContact O-N 2.86Å; S85-G87 PolarHBondContact OG-N 3.12Å; S85-G87 VanDerWaalsContact OG-N 3.09Å; S85-R91 PolarHBondContact OG-NH2 3.29Å; S85-R91 VanDerWaalsContact OG-NH2 3.15Å; S85-E496 WeakPolarHBondContact CA-OE2 3.31Å; S85-E496 VanDerWaalsContact OG-CD 3.22Å; S85-E496 PolarHBondContact OG-OE1 3.34Å; S85-E496 PolarHBondContact OG-OE2 3.15Å
86	T	84.4	Confident	93.5	Very high	50 Å²	50	58.1 Å²	58.1	31%	0.307	35%	0.354	S	S	.	.			trans	-81.7	-4	174.6	66.8	0	0	0	0	112.9	A88 E496 P506	T86-A88 VanDerWaalsContact C-N 3.28Å; T86-E496 PolarHBondContact N-OE2 3.46Å; T86-E496 PolarHBondContact OG1-OE2 3.18Å; T86-P506 HydrophobicContact CG2-CB 4.05Å
87	G	84.9	Confident	93.5	Very high	66 Å²	66	62.7 Å²	62.7	68%	0.68	36%	0.361	S	S	*	.			trans	70.6	22.3	-172.8	0	0	0	0	0	113.4	S85	S85-G87 PolarHBondContact O-N 2.86Å; S85-G87 PolarHBondContact OG-N 3.12Å; S85-G87 VanDerWaalsContact OG-N 3.09Å
88	A	83.8	Confident	93.7	Very high	27 Å²	27	65.6 Å²	65.6	22%	0.223	37%	0.368	C	S	.	.			trans	-63.9	140.9	176.2	0	0	0	0	0	110.6	T86 L90 E496	T86-A88 VanDerWaalsContact C-N 3.28Å; A88-L90 PolarHBondContact O-N 2.99Å; A88-E496 HydrophobicContact CB-CB 4.14Å; A88-E496 HydrophobicContact CB-CG 4.11Å
89	G	87.2	Confident	93.9	Very high	75 Å²	75	66.6 Å²	66.6	77%	0.773	37%	0.37	S	S	*	.	S	Bend	trans	-66.4	-21.2	-178.3	0	0	0	0	0	114.3
90	L	97.1	Very high	94.1	Very high	15 Å²	15	69.6 Å²	69.6	8%	0.079	38%	0.377	C	S	.	.			trans	-120.2	129.5	175.6	178.5	62.6	0	0	0	110.1	A88 A463 T467 L469 I493 F495 E496	A88-L90 PolarHBondContact O-N 2.99Å; L90-A463 HydrophobicContact CD1-CB 4.2Å; L90-T467 HydrophobicContact CD1-CG2 4.5Å; L90-T467 HydrophobicContact CD2-CG2 4.29Å; L90-T467 WeakPolarHBondContact CD2-OG1 3.4Å; L90-L469 HydrophobicContact CD2-CD1 3.84Å; L90-I493 HydrophobicContact CD2-CG2 4.18Å; L90-F495 HydrophobicContact CB-CB 3.96Å; L90-F495 HydrophobicContact CD2-CB 4Å; L90-F495 HydrophobicContact CG-CB 3.95Å; L90-F495 CarbonylContact O-C 3.56Å; L90-F495 VanDerWaalsContact O-CA 3.24Å; L90-F495 WeakPolarHBondContact O-CA 3.44Å; L90-F495 WeakPolarHBondContact O-CB 3.29Å; L90-E496 PolarHBondContact O-N 2.86Å
91	R	97.9	Very high	94.2	Very high	74 Å²	74	65 Å²	65	28%	0.279	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.4	173	179.8	-179.2	-57.4	164.9	6	110.7	S85 A463 S464 E496 W498	S85-R91 PolarHBondContact OG-NH2 3.29Å; S85-R91 VanDerWaalsContact OG-NH2 3.15Å; R91-A463 CarbonylContact O-C 3.6Å; R91-A463 WeakPolarHBondContact O-CA 3.33Å; R91-S464 PolarHBondContact N-OG 3.1Å; R91-S464 PolarHBondContact O-N 3.24Å; R91-E496 CarbonylContact C-O 3.12Å; R91-E496 VanDerWaalsContact CA-O 3.26Å; R91-E496 WeakPolarHBondContact CA-O 3.31Å; R91-E496 HydrophobicContact CB-CG 4Å; R91-E496 HydrophobicContact CG-CG 4Å; R91-E496 IonicContact CZ-OE1 3.18Å; R91-E496 IonicContact NE-OE1 2.77Å; R91-E496 PolarHBondContact NE-OE1 2.89Å; R91-E496 IonicContact NH2-OE1 2.76Å; R91-E496 PolarHBondContact NH2-OE1 3.34Å; R91-W498 HydrophobicContact CG-CB 4.15Å
92	L	98.4	Very high	94.3	Very high	0 Å²	0	72 Å²	72	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.3	167	-56.4	-173.9	0	0	0	108.9	V461 S462 A463 F471 L483 V485 F495 E496 V497 W498	L92-V461 HydrophobicContact CB-CG2 4.22Å; L92-S462 CarbonylContact C-O 3.58Å; L92-S462 VanDerWaalsContact CA-O 3.31Å; L92-S462 WeakPolarHBondContact CA-O 3.33Å; L92-A463 HydrophobicContact CD2-CB 3.77Å; L92-F471 HydrophobicContact CD1-CB 4.46Å; L92-F471 HydrophobicContact CD1-CD1 4.11Å; L92-F471 HydrophobicContact CD1-CD2 4.37Å; L92-F471 HydrophobicContact CD1-CG 4.05Å; L92-F471 HydrophobicContact CD2-CD1 4.2Å; L92-F471 HydrophobicContact CD2-CE1 3.77Å; L92-F471 HydrophobicContact CD2-CE2 4.18Å; L92-F471 HydrophobicContact CD2-CZ 3.77Å; L92-L483 HydrophobicContact CD1-CD2 4.22Å; L92-V485 HydrophobicContact CD1-CG2 4.48Å; L92-F495 HydrophobicContact CD1-CD2 3.85Å; L92-F495 HydrophobicContact CD1-CE2 3.72Å; L92-F495 HydrophobicContact CG-CD2 3.96Å; L92-F495 HydrophobicContact CG-CE2 4.31Å; L92-E496 PolarHBondContact N-O 3.17Å; L92-V497 CarbonylContact O-C 3.49Å; L92-V497 VanDerWaalsContact O-CA 3.27Å; L92-V497 WeakPolarHBondContact O-CA 3.45Å; L92-W498 PolarHBondContact O-N 2.97Å
93	T	98.3	Very high	94.4	Very high	26 Å²	26	66 Å²	66	16%	0.16	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.9	-177.3	-59.2	0	0	0	0	110.2	V461 S462 W498	T93-V461 CarbonylContact O-C 3.39Å; T93-V461 VanDerWaalsContact O-CA 3.25Å; T93-V461 WeakPolarHBondContact O-CA 3.29Å; T93-S462 PolarHBondContact N-O 3.33Å; T93-S462 PolarHBondContact O-N 3.06Å; T93-W498 WeakPolarHBondContact CA-O 3.42Å; T93-W498 HydrophobicContact CG2-CD2 4.44Å; T93-W498 HydrophobicContact CG2-CE3 3.4Å; T93-W498 HydrophobicContact CG2-CZ3 3.71Å
94	I	98.4	Very high	94.7	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	132.8	174.8	-51.5	-57.9	0	0	0	109.6	P96 V459 V461 A473 V481 L483 V497 W498 D499 P500 W519	I94-P96 WeakPolarHBondContact O-CD 3.35Å; I94-V459 HydrophobicContact CG2-CG2 4.33Å; I94-V461 HydrophobicContact CD1-CB 4.42Å; I94-V461 HydrophobicContact CD1-CG2 4.13Å; I94-A473 HydrophobicContact CD1-CB 3.84Å; I94-V481 HydrophobicContact CG2-CG1 4.49Å; I94-L483 HydrophobicContact CD1-CD1 4.44Å; I94-V497 HydrophobicContact CD1-CG1 3.95Å; I94-V497 HydrophobicContact CG1-CG1 3.9Å; I94-W498 PolarHBondContact N-O 3.08Å; I94-D499 HydrophobicContact CB-CB 4.48Å; I94-D499 HydrophobicContact CG1-CB 4.28Å; I94-P500 WeakPolarHBondContact O-CD 3.27Å; I94-W519 HydrophobicContact CD1-CH2 4.35Å; I94-W519 HydrophobicContact CG1-CH2 4.35Å; I94-W519 HydrophobicContact CG1-CZ2 4.06Å
95	V	97.3	Very high	94.9	Very high	13 Å²	13	55.5 Å²	55.5	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	73.8	-177.7	-166.5	0	0	0	0	108.7	Y97 Q98 G460	V95-Y97 HydrophobicContact CG1-CD1 4.04Å; V95-Y97 HydrophobicContact CG1-CD2 4.17Å; V95-Y97 HydrophobicContact CG1-CE1 3.48Å; V95-Y97 VanDerWaalsContact CG1-CE1 3.48Å; V95-Y97 HydrophobicContact CG1-CE2 3.63Å; V95-Y97 HydrophobicContact CG1-CG 4.36Å; V95-Y97 WeakPolarHBondContact CG1-OH 3.41Å; V95-Y97 PolarHBondContact O-N 3.42Å; V95-Y97 VanDerWaalsContact O-N 3.08Å; V95-Q98 HydrophobicContact CG1-CB 4.13Å; V95-Q98 HydrophobicContact CG1-CG 3.69Å; V95-Q98 PolarHBondContact O-N 3.48Å; V95-G460 WeakPolarHBondContact CA-O 3.46Å; V95-G460 PolarHBondContact N-O 2.89Å; V95-G460 PolarHBondContact O-N 2.68Å
96	P	92.6	Very high	95.3	Very high	53 Å²	53	53.4 Å²	53.4	34%	0.344	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-17.2	-165.5	27.1	-35	0	0	0	114.1	I94	I94-P96 WeakPolarHBondContact O-CD 3.35Å
97	Y	94.9	Very high	96	Very high	180 Å²	180	51 Å²	51	71%	0.706	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	-18.9	177.1	59.6	-96.2	0	0	0	113.5	V95 K99	V95-Y97 HydrophobicContact CG1-CD1 4.04Å; V95-Y97 HydrophobicContact CG1-CD2 4.17Å; V95-Y97 HydrophobicContact CG1-CE1 3.48Å; V95-Y97 VanDerWaalsContact CG1-CE1 3.48Å; V95-Y97 HydrophobicContact CG1-CE2 3.63Å; V95-Y97 HydrophobicContact CG1-CG 4.36Å; V95-Y97 WeakPolarHBondContact CG1-OH 3.41Å; V95-Y97 PolarHBondContact O-N 3.42Å; V95-Y97 VanDerWaalsContact O-N 3.08Å; Y97-K99 PolarHBondContact O-N 2.88Å
98	Q	98	Very high	96.6	Very high	86 Å²	86	47.9 Å²	47.9	40%	0.402	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	102.8	169.8	-71.6	179	2.4	0	0	108	V95 Y100 V459 G460	V95-Q98 HydrophobicContact CG1-CB 4.13Å; V95-Q98 HydrophobicContact CG1-CG 3.69Å; V95-Q98 PolarHBondContact O-N 3.48Å; Q98-Y100 HydrophobicContact CB-CE2 4.33Å; Q98-V459 CarbonylContact O-C 3.53Å; Q98-V459 WeakPolarHBondContact O-CA 3.49Å; Q98-G460 PolarHBondContact O-N 3.01Å
99	K	98.1	Very high	97.4	Very high	151 Å²	151	46.6 Å²	46.6	66%	0.657	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.3	-175.3	-62.8	-179.5	-179.7	-179.2	0	110.6	Y97 Q457	Y97-K99 PolarHBondContact O-N 2.88Å; K99-Q457 HydrophobicContact CB-CG 4.34Å; K99-Q457 HydrophobicContact CG-CG 4.38Å
100	Y	98.6	Very high	97.9	Very high	78 Å²	78	43 Å²	43	31%	0.306	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-130.7	-179.2	-59.2	-87.9	0	0	0	111.2	Q98 Y399 Q457 R458	Q98-Y100 HydrophobicContact CB-CE2 4.33Å; Y100-Y399 HydrophobicContact CD1-CD1 4.49Å; Y100-Y399 AromaticContact CD1-CE1 3.77Å; Y100-Y399 HydrophobicContact CD1-CE1 3.77Å; Y100-Y399 HydrophobicContact CE1-CE1 4.49Å; Y100-Q457 PolarHBondContact O-NE2 3.31Å; Y100-R458 HydrophobicContact CD2-CG 4.04Å; Y100-R458 HydrophobicContact CG-CG 4.45Å; Y100-R458 PolarHBondContact N-O 3.36Å
101	Q	98.6	Very high	98	Very high	18 Å²	18	42.3 Å²	42.3	8%	0.084	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	157.4	177.8	80.9	-76	16	0	0	112.9	L396 V400 V401 Q457 R458	Q101-L396 PolarHBondContact NE2-O 2.85Å; Q101-V400 PolarHBondContact NE2-O 3.41Å; Q101-V401 HydrophobicContact CB-CG1 4Å; Q101-V401 HydrophobicContact CG-CG1 3.95Å; Q101-Q457 VanDerWaalsContact C-NE2 3.27Å; Q101-Q457 PolarHBondContact O-NE2 3.36Å; Q101-R458 PolarHBondContact O-N 3.29Å
102	R	98.7	Very high	98.1	Very high	171 Å²	171	38.8 Å²	38.8	65%	0.645	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	140.8	169.8	-68.9	-176.1	179	-173.4	-0.5	110.4	V401 S456	R102-V401 WeakPolarHBondContact O-CB 3.45Å; R102-S456 CarbonylContact C-O 3.59Å; R102-S456 VanDerWaalsContact CA-O 3.3Å; R102-S456 WeakPolarHBondContact CA-O 3.45Å
103	I	98.8	Very high	98.1	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-72.7	128.8	178.6	-59.1	-52.4	0	0	0	110.1	F106 L396 V401 L452 E454 G455 S456 F474	I103-F106 HydrophobicContact CG2-CD2 4.44Å; I103-F106 HydrophobicContact CG2-CE2 3.68Å; I103-F106 HydrophobicContact CG2-CZ 4.31Å; I103-L396 HydrophobicContact CD1-CD2 3.54Å; I103-V401 CarbonylContact C-O 3.55Å; I103-V401 VanDerWaalsContact CA-O 3.27Å; I103-V401 WeakPolarHBondContact CA-O 3.36Å; I103-L452 HydrophobicContact CG2-CB 4.45Å; I103-E454 CarbonylContact O-C 3.59Å; I103-E454 WeakPolarHBondContact O-CA 3.36Å; I103-G455 PolarHBondContact O-N 3.05Å; I103-S456 WeakPolarHBondContact CG1-O 3.42Å; I103-S456 PolarHBondContact N-O 3.49Å; I103-F474 HydrophobicContact CD1-CD1 4.38Å; I103-F474 HydrophobicContact CD1-CE1 3.97Å; I103-F474 HydrophobicContact CG1-CD1 4.25Å; I103-F474 HydrophobicContact CG1-CE1 4.32Å
104	K	98.5	Very high	98.1	Very high	31 Å²	31	37.6 Å²	37.6	14%	0.135	16%	0.162	C	C	.	.			trans	-83.3	-48.1	168.1	175.5	60.6	-165.3	170	0	111.2	S198 W253 F362 V401 E454	K104-S198 VanDerWaalsContact CE-OG 3.22Å; K104-S198 WeakPolarHBondContact CE-OG 3.3Å; K104-S198 PolarHBondContact NZ-OG 3.3Å; K104-W253 HydrophobicContact CD-CH2 4.37Å; K104-W253 HydrophobicContact CD-CZ2 3.88Å; K104-W253 VanDerWaalsContact CE-CE2 3.44Å; K104-W253 HydrophobicContact CG-CH2 3.79Å; K104-W253 HydrophobicContact CG-CZ2 3.75Å; K104-W253 HydrophobicContact CG-CZ3 4.38Å; K104-F362 HydrophobicContact CB-CD2 4.33Å; K104-F362 HydrophobicContact CB-CE2 4.08Å; K104-F362 HydrophobicContact CG-CD2 4.39Å; K104-F362 HydrophobicContact CG-CE2 3.94Å; K104-V401 HydrophobicContact CB-CB 4.4Å; K104-V401 HydrophobicContact CB-CG2 3.82Å; K104-V401 PolarHBondContact N-O 3.35Å; K104-E454 IonicContact NZ-OE1 3.32Å; K104-E454 PolarHBondContact NZ-OE1 2.99Å; K104-E454 WeakPolarHBondContact O-CB 3.14Å; K104-E454 WeakPolarHBondContact O-CG 3.47Å
105	G	98.1	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.6	-176.7	179.3	0	0	0	0	0	114.9	S142 G402 W403	G105-S142 WeakPolarHBondContact CA-OG 3.49Å; G105-G402 CarbonylContact O-C 3.04Å; G105-G402 WeakPolarHBondContact O-CA 3.46Å; G105-W403 PolarHBondContact O-N 3.19Å
106	F	98.8	Very high	98.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.7	-178.1	-59.8	-90.4	0	0	0	109.6	I103 S142 V143 I392 L396 W403 M445 F448 L452	I103-F106 HydrophobicContact CG2-CD2 4.44Å; I103-F106 HydrophobicContact CG2-CE2 3.68Å; I103-F106 HydrophobicContact CG2-CZ 4.31Å; F106-S142 PolarHBondContact O-N 3.08Å; F106-V143 PolarHBondContact O-N 3.23Å; F106-V143 VanDerWaalsContact O-N 3.09Å; F106-I392 HydrophobicContact CE1-CG2 3.93Å; F106-L396 HydrophobicContact CE1-CD1 4.49Å; F106-L396 HydrophobicContact CZ-CD1 4.14Å; F106-L396 HydrophobicContact CZ-CD2 4.35Å; F106-W403 VanDerWaalsContact CA-O 3.25Å; F106-W403 WeakPolarHBondContact CA-O 3.37Å; F106-W403 HydrophobicContact CD1-CB 3.91Å; F106-W403 HydrophobicContact CE1-CB 4.03Å; F106-M445 HydrophobicContact CB-CE 4.3Å; F106-F448 HydrophobicContact CD1-CB 4.21Å; F106-F448 HydrophobicContact CE1-CB 3.87Å; F106-F448 HydrophobicContact CE2-CB 4.27Å; F106-F448 HydrophobicContact CZ-CB 3.91Å; F106-L452 HydrophobicContact CE2-CB 3.73Å; F106-L452 HydrophobicContact CE2-CD1 4.15Å; F106-L452 HydrophobicContact CZ-CB 4.42Å; F106-L452 HydrophobicContact CZ-CD1 4Å
107	G	98.5	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	-167.4	-170	0	0	0	0	0	115.7	Y141 V143 W403 D405	G107-Y141 WeakPolarHBondContact O-CE2 3.42Å; G107-V143 WeakPolarHBondContact CA-O 3.36Å; G107-W403 PolarHBondContact N-O 3.39Å; G107-D405 WeakPolarHBondContact O-CB 3.46Å; G107-D405 PolarHBondContact O-N 3.04Å
108	G	98.8	Very high	98.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	177.4	169	0	0	0	0	0	111.5	V144 R145 D405	G108-V144 VanDerWaalsContact O-CA 3.3Å; G108-V144 WeakPolarHBondContact O-CA 3.24Å; G108-R145 PolarHBondContact O-N 3.23Å; G108-D405 CarbonylContact C-O 3.56Å; G108-D405 VanDerWaalsContact CA-O 3.26Å; G108-D405 WeakPolarHBondContact CA-O 3.43Å
109	A	98.9	Very high	98.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.6	179.4	0	0	0	0	0	113.4	T111 R145 D405 W406 L408	A109-T111 VanDerWaalsContact C-N 3.31Å; A109-T111 HydrophobicContact CB-CG2 3.96Å; A109-T111 PolarHBondContact O-N 3.35Å; A109-R145 CarbonylContact C-O 3.5Å; A109-R145 VanDerWaalsContact CA-O 3.24Å; A109-R145 WeakPolarHBondContact CA-O 3.43Å; A109-R145 HydrophobicContact CB-CB 3.98Å; A109-D405 PolarHBondContact N-O 3.01Å; A109-W406 VanDerWaalsContact CA-O 3.3Å; A109-W406 WeakPolarHBondContact CA-O 3.3Å; A109-W406 HydrophobicContact CB-CE3 3.98Å; A109-W406 HydrophobicContact CB-CZ3 4.41Å; A109-W406 WeakPolarHBondContact CB-O 3.47Å; A109-W406 PolarHBondContact N-O 3.33Å; A109-L408 WeakPolarHBondContact O-CG 3.21Å; A109-L408 PolarHBondContact O-N 2.95Å; A109-L408 VanDerWaalsContact O-N 3.12Å
110	M	98.9	Very high	98.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.105	C	C	.	.			trans	-87.2	70.8	169.1	-171.5	63.8	68.9	0	0	109.6	A115 I118 V144 R145 P147 K182 L185 L186 L408	M110-A115 HydrophobicContact SD-CB 4.19Å; M110-I118 HydrophobicContact CE-CD1 4.43Å; M110-I118 HydrophobicContact SD-CD1 4.44Å; M110-V144 HydrophobicContact CB-CG1 3.79Å; M110-R145 PolarHBondContact N-O 3.49Å; M110-P147 WeakPolarHBondContact O-CD 3.08Å; M110-K182 HydrophobicContact CG-CB 4.2Å; M110-K182 HydrophobicContact CG-CG 4.16Å; M110-L185 HydrophobicContact CE-CB 3.85Å; M110-L185 HydrophobicContact CE-CD1 4.44Å; M110-L185 HydrophobicContact SD-CB 4.08Å; M110-L185 HydrophobicContact SD-CD1 3.84Å; M110-L186 HydrophobicContact CB-CD2 4.21Å; M110-L186 HydrophobicContact CG-CD2 4.36Å; M110-L186 HydrophobicContact CG-CG 4.33Å; M110-L408 HydrophobicContact CB-CD1 4.38Å; M110-L408 HydrophobicContact CE-CD1 3.67Å; M110-L408 HydrophobicContact SD-CD1 4.43Å
111	T	98.9	Very high	98.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.			trans	-72.3	167.5	173.5	64.6	0	0	0	0	111.5	A109 A113 A114 A115 P147 F153 N407	A109-T111 VanDerWaalsContact C-N 3.31Å; A109-T111 HydrophobicContact CB-CG2 3.96Å; A109-T111 PolarHBondContact O-N 3.35Å; T111-A113 VanDerWaalsContact C-N 3.27Å; T111-A113 PolarHBondContact O-N 3.49Å; T111-A114 PolarHBondContact O-N 2.99Å; T111-A114 WeakPolarHBondContact OG1-CB 3.23Å; T111-A114 PolarHBondContact OG1-N 2.87Å; T111-A115 WeakPolarHBondContact O-CB 3.49Å; T111-A115 PolarHBondContact O-N 3.02Å; T111-P147 HydrophobicContact CG2-CG 4Å; T111-F153 HydrophobicContact CG2-CB 4.29Å; T111-N407 WeakPolarHBondContact CB-OD1 3.25Å; T111-N407 WeakPolarHBondContact CG2-OD1 3.46Å; T111-N407 PolarHBondContact OG1-OD1 3.39Å
112	D	98.9	Very high	98.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-59.7	-42.3	172.7	-66.2	-13.6	0	0	0	110.2	A115 I116 S154 Y158 K182	D112-A115 PolarHBondContact O-N 2.67Å; D112-I116 WeakPolarHBondContact O-CB 3.36Å; D112-I116 WeakPolarHBondContact O-CD1 3.49Å; D112-I116 WeakPolarHBondContact O-CG1 3.06Å; D112-I116 PolarHBondContact O-N 2.69Å; D112-S154 VanDerWaalsContact OD2-CB 3.31Å; D112-S154 WeakPolarHBondContact OD2-CB 3.39Å; D112-S154 PolarHBondContact OD2-OG 3.09Å; D112-Y158 PolarHBondContact OD1-OH 3.36Å; D112-Y158 WeakPolarHBondContact OD2-CE1 3.29Å; D112-Y158 PolarHBondContact OD2-OH 3.31Å; D112-K182 WeakPolarHBondContact OD1-CD 3.49Å
113	A	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.5	-46.2	176	0	0	0	0	0	112.9	T111 A115 I116 N117 F153 L410 P416	T111-A113 VanDerWaalsContact C-N 3.27Å; T111-A113 PolarHBondContact O-N 3.49Å; A113-A115 VanDerWaalsContact C-N 3.34Å; A113-A115 PolarHBondContact O-N 2.8Å; A113-I116 PolarHBondContact O-N 3.17Å; A113-N117 WeakPolarHBondContact O-CB 3.35Å; A113-N117 PolarHBondContact O-N 2.9Å; A113-N117 PolarHBondContact O-ND2 2.91Å; A113-F153 HydrophobicContact CB-CB 3.85Å; A113-F153 HydrophobicContact CB-CD1 3.87Å; A113-F153 HydrophobicContact CB-CG 4.36Å; A113-F153 WeakPolarHBondContact CB-O 3.44Å; A113-F153 PolarHBondContact N-O 2.85Å; A113-L410 HydrophobicContact CB-CD2 4Å; A113-P416 HydrophobicContact CB-CG 4.01Å; A113-P416 WeakPolarHBondContact CB-O 3.46Å
114	A	98.9	Very high	98.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.5	-45.1	176.5	0	0	0	0	0	111.3	T111 I116 N117 I118 L408 A409	T111-A114 PolarHBondContact O-N 2.99Å; T111-A114 WeakPolarHBondContact OG1-CB 3.23Å; T111-A114 PolarHBondContact OG1-N 2.87Å; A114-I116 PolarHBondContact O-N 3.17Å; A114-N117 PolarHBondContact O-N 3.28Å; A114-I118 WeakPolarHBondContact O-CD1 3.43Å; A114-I118 VanDerWaalsContact O-CG1 3.23Å; A114-I118 WeakPolarHBondContact O-CG1 3.25Å; A114-I118 PolarHBondContact O-N 2.85Å; A114-L408 HydrophobicContact CB-CB 4.2Å; A114-A409 VanDerWaalsContact CA-O 3.24Å; A114-A409 WeakPolarHBondContact CA-O 3.27Å
115	A	98.9	Very high	98.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.5	-42.7	178.9	0	0	0	0	0	112.3	M110 T111 D112 A113 L119 M181 K182 L185	M110-A115 HydrophobicContact SD-CB 4.19Å; T111-A115 WeakPolarHBondContact O-CB 3.49Å; T111-A115 PolarHBondContact O-N 3.02Å; D112-A115 PolarHBondContact O-N 2.67Å; A113-A115 VanDerWaalsContact C-N 3.34Å; A113-A115 PolarHBondContact O-N 2.8Å; A115-L119 WeakPolarHBondContact O-CB 3.19Å; A115-L119 VanDerWaalsContact O-CG 3.24Å; A115-L119 WeakPolarHBondContact O-CG 3.48Å; A115-L119 PolarHBondContact O-N 2.96Å; A115-M181 HydrophobicContact CB-CB 3.77Å; A115-K182 HydrophobicContact CB-CG 4.29Å; A115-L185 HydrophobicContact CB-CD1 3.67Å
116	I	98.9	Very high	98.8	Very high	49 Å²	49	17 Å²	17	25%	0.251	12%	0.115	S	C	.	.	H	α-helix	trans	-59.5	-48.5	175.5	-72	162.9	0	0	0	110.7	D112 A113 A114 L119 S120 T155 M181 P416	D112-I116 WeakPolarHBondContact O-CB 3.36Å; D112-I116 WeakPolarHBondContact O-CD1 3.49Å; D112-I116 WeakPolarHBondContact O-CG1 3.06Å; D112-I116 PolarHBondContact O-N 2.69Å; A113-I116 PolarHBondContact O-N 3.17Å; A114-I116 PolarHBondContact O-N 3.17Å; I116-L119 PolarHBondContact O-N 3.49Å; I116-S120 WeakPolarHBondContact O-CB 3.38Å; I116-S120 PolarHBondContact O-N 2.98Å; I116-T155 HydrophobicContact CD1-CG2 3.71Å; I116-M181 HydrophobicContact CD1-CE 4.39Å; I116-M181 HydrophobicContact CG1-CE 3.93Å; I116-M181 HydrophobicContact CG1-SD 3.76Å; I116-P416 HydrophobicContact CD1-CG 4.05Å; I116-P416 HydrophobicContact CG2-CG 4.31Å
117	N	98.9	Very high	98.8	Very high	9 Å²	9	19.6 Å²	19.6	5%	0.048	13%	0.126	C	C	.	.	H	α-helix	trans	-64.9	-45.2	-178.6	-80.4	-60	0	0	0	112	A113 A114 L119 S120 A409 L410 D411 G415 P416 V429	A113-N117 WeakPolarHBondContact O-CB 3.35Å; A113-N117 PolarHBondContact O-N 2.9Å; A113-N117 PolarHBondContact O-ND2 2.91Å; A114-N117 PolarHBondContact O-N 3.28Å; N117-L119 PolarHBondContact O-N 3.3Å; N117-S120 WeakPolarHBondContact O-CB 3.47Å; N117-S120 PolarHBondContact O-N 3.35Å; N117-S120 PolarHBondContact O-OG 3.49Å; N117-A409 HydrophobicContact CB-CB 4.41Å; N117-L410 WeakPolarHBondContact ND2-CA 3.42Å; N117-D411 PolarHBondContact ND2-N 2.86Å; N117-D411 WeakPolarHBondContact OD1-CB 3.11Å; N117-D411 PolarHBondContact OD1-N 3.2Å; N117-G415 PolarHBondContact ND2-O 2.79Å; N117-P416 WeakPolarHBondContact ND2-CD 3.29Å; N117-V429 HydrophobicContact CB-CB 4.23Å; N117-V429 HydrophobicContact CB-CG2 4.08Å
118	I	98.9	Very high	98.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-58.8	-51.6	175.8	-65.2	165.4	0	0	0	109.4	M110 A114 S120 L121 Q126 L129 L130 L185 A409	M110-I118 HydrophobicContact CE-CD1 4.43Å; M110-I118 HydrophobicContact SD-CD1 4.44Å; A114-I118 WeakPolarHBondContact O-CD1 3.43Å; A114-I118 VanDerWaalsContact O-CG1 3.23Å; A114-I118 WeakPolarHBondContact O-CG1 3.25Å; A114-I118 PolarHBondContact O-N 2.85Å; I118-S120 PolarHBondContact O-N 3.14Å; I118-S120 VanDerWaalsContact O-N 3.14Å; I118-L121 WeakPolarHBondContact O-CB 3.33Å; I118-L121 PolarHBondContact O-N 3.14Å; I118-L121 VanDerWaalsContact O-N 3.14Å; I118-Q126 HydrophobicContact CG2-CB 4.46Å; I118-Q126 HydrophobicContact CG2-CG 4.24Å; I118-Q126 WeakPolarHBondContact O-CG 3.49Å; I118-L129 HydrophobicContact CD1-CD2 3.97Å; I118-L129 HydrophobicContact CG1-CD1 4.08Å; I118-L129 HydrophobicContact CG1-CD2 3.8Å; I118-L130 HydrophobicContact CD1-CD2 4.36Å; I118-L185 HydrophobicContact CB-CD1 4.28Å; I118-L185 HydrophobicContact CD1-CD1 4.41Å; I118-L185 HydrophobicContact CG2-CD1 4.34Å; I118-L185 HydrophobicContact CG2-CD2 3.73Å; I118-A409 HydrophobicContact CG1-CB 4.08Å
119	L	98.9	Very high	98.7	Very high	63 Å²	63	21.9 Å²	21.9	33%	0.33	14%	0.137	S	C	.	.	H	α-helix	trans	-68.2	-13.4	-177.2	-67.7	170.2	0	0	0	114.6	A115 I116 N117 L121 Q126 M181 L185	A115-L119 WeakPolarHBondContact O-CB 3.19Å; A115-L119 VanDerWaalsContact O-CG 3.24Å; A115-L119 WeakPolarHBondContact O-CG 3.48Å; A115-L119 PolarHBondContact O-N 2.96Å; I116-L119 PolarHBondContact O-N 3.49Å; N117-L119 PolarHBondContact O-N 3.3Å; L119-L121 VanDerWaalsContact C-N 3.28Å; L119-Q126 PolarHBondContact O-NE2 3.25Å; L119-M181 HydrophobicContact CD1-CB 3.61Å; L119-M181 HydrophobicContact CD1-CG 3.66Å; L119-M181 HydrophobicContact CD1-SD 4.21Å; L119-L185 HydrophobicContact CD1-CD1 4.32Å; L119-L185 HydrophobicContact CD2-CD2 4.06Å; L119-L185 HydrophobicContact CD2-CG 4.41Å; L119-L185 HydrophobicContact CG-CD1 4.14Å; L119-L185 HydrophobicContact CG-CD2 4.43Å; L119-L185 HydrophobicContact CG-CG 4.47Å
120	S	98.8	Very high	98.7	Very high	52 Å²	52	21.9 Å²	21.9	36%	0.364	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-16.7	174.4	77.9	0	0	0	0	113.8	I116 N117 I118 A431	I116-S120 WeakPolarHBondContact O-CB 3.38Å; I116-S120 PolarHBondContact O-N 2.98Å; N117-S120 WeakPolarHBondContact O-CB 3.47Å; N117-S120 PolarHBondContact O-N 3.35Å; N117-S120 PolarHBondContact O-OG 3.49Å; I118-S120 PolarHBondContact O-N 3.14Å; I118-S120 VanDerWaalsContact O-N 3.14Å; S120-A431 WeakPolarHBondContact OG-CB 3.2Å
121	L	98.9	Very high	98.7	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.037	15%	0.154	C	C	.	.	S	Bend	trans	-80.1	162.8	174.4	-69.3	171	0	0	0	111.7	I118 L119 A125 Q126 L129 V429 F436	I118-L121 WeakPolarHBondContact O-CB 3.33Å; I118-L121 PolarHBondContact O-N 3.14Å; I118-L121 VanDerWaalsContact O-N 3.14Å; L119-L121 VanDerWaalsContact C-N 3.28Å; L121-A125 HydrophobicContact CB-CB 3.91Å; L121-A125 HydrophobicContact CD1-CB 4.25Å; L121-A125 HydrophobicContact CD2-CB 4.2Å; L121-A125 HydrophobicContact CG-CB 4.36Å; L121-Q126 HydrophobicContact CB-CG 3.95Å; L121-Q126 PolarHBondContact O-NE2 3.21Å; L121-L129 HydrophobicContact CD1-CD1 3.86Å; L121-V429 HydrophobicContact CD1-CG1 4.24Å; L121-V429 HydrophobicContact CD1-CG2 4.19Å; L121-V429 HydrophobicContact CD2-CG1 3.84Å; L121-V429 HydrophobicContact CG-CG1 3.84Å; L121-F436 HydrophobicContact CD1-CB 4.46Å; L121-F436 HydrophobicContact CD1-CD1 4.12Å
122	S	98.8	Very high	98.6	Very high	44 Å²	44	26.7 Å²	26.7	31%	0.308	16%	0.156	S	C	.	.			trans	-63.1	157.1	167.9	73.6	0	0	0	0	111.4	G124 A125 Q126 D434	S122-G124 PolarHBondContact O-N 2.79Å; S122-G124 VanDerWaalsContact O-N 3.13Å; S122-A125 PolarHBondContact O-N 2.89Å; S122-A125 PolarHBondContact OG-N 2.58Å; S122-Q126 WeakPolarHBondContact O-CG 3.48Å; S122-Q126 PolarHBondContact O-N 3.34Å; S122-D434 WeakPolarHBondContact CB-OD1 3.39Å; S122-D434 WeakPolarHBondContact CB-OD2 3.38Å; S122-D434 PolarHBondContact N-OD1 3.44Å; S122-D434 VanDerWaalsContact OG-CG 3.28Å; S122-D434 PolarHBondContact OG-OD1 2.74Å; S122-D434 PolarHBondContact OG-OD2 2.98Å
123	A	98.4	Very high	98.6	Very high	75 Å²	75	26.7 Å²	26.7	62%	0.62	16%	0.156	S	C	*	.	H	α-helix	trans	-54.9	-36.7	-178.6	0	0	0	0	0	113.2	E127	A123-E127 WeakPolarHBondContact O-CB 3.34Å; A123-E127 PolarHBondContact O-N 3.19Å; A123-E127 VanDerWaalsContact O-N 3.1Å
124	G	98.3	Very high	98.5	Very high	31 Å²	31	26.7 Å²	26.7	32%	0.32	16%	0.156	S	C	.	.	H	α-helix	trans	-68	-44.3	175.9	0	0	0	0	0	112.6	S122 E127 Q128	S122-G124 PolarHBondContact O-N 2.79Å; S122-G124 VanDerWaalsContact O-N 3.13Å; G124-E127 PolarHBondContact O-N 2.87Å; G124-Q128 WeakPolarHBondContact O-CG 3.42Å; G124-Q128 PolarHBondContact O-N 3.34Å
125	A	98.7	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.5	-36.3	178.5	0	0	0	0	0	112.1	L121 S122 E127 Q128 L129	L121-A125 HydrophobicContact CB-CB 3.91Å; L121-A125 HydrophobicContact CD1-CB 4.25Å; L121-A125 HydrophobicContact CD2-CB 4.2Å; L121-A125 HydrophobicContact CG-CB 4.36Å; S122-A125 PolarHBondContact O-N 2.89Å; S122-A125 PolarHBondContact OG-N 2.58Å; A125-E127 PolarHBondContact O-N 2.86Å; A125-Q128 PolarHBondContact O-N 3.39Å; A125-L129 WeakPolarHBondContact O-CB 3.31Å; A125-L129 PolarHBondContact O-N 2.86Å
126	Q	98.8	Very high	97.9	Very high	24 Å²	24	33.3 Å²	33.3	11%	0.112	19%	0.185	C	C	.	.	H	α-helix	trans	-56.4	-48.2	170	-72.6	177.7	26.1	0	0	112.1	I118 L119 L121 S122 L129 L130	I118-Q126 HydrophobicContact CG2-CB 4.46Å; I118-Q126 HydrophobicContact CG2-CG 4.24Å; I118-Q126 WeakPolarHBondContact O-CG 3.49Å; L119-Q126 PolarHBondContact O-NE2 3.25Å; L121-Q126 HydrophobicContact CB-CG 3.95Å; L121-Q126 PolarHBondContact O-NE2 3.21Å; S122-Q126 WeakPolarHBondContact O-CG 3.48Å; S122-Q126 PolarHBondContact O-N 3.34Å; Q126-L129 PolarHBondContact O-N 3.22Å; Q126-L130 WeakPolarHBondContact O-CG 3.28Å; Q126-L130 PolarHBondContact O-N 2.94Å
127	E	98.2	Very high	97.5	Very high	55 Å²	55	35.7 Å²	35.7	26%	0.257	20%	0.195	S	C	.	.	H	α-helix	trans	-62.7	-43.7	179.4	-179.4	65.4	-170.5	0	0	111.3	A123 G124 A125 L130 R131 R188	A123-E127 WeakPolarHBondContact O-CB 3.34Å; A123-E127 PolarHBondContact O-N 3.19Å; A123-E127 VanDerWaalsContact O-N 3.1Å; G124-E127 PolarHBondContact O-N 2.87Å; A125-E127 PolarHBondContact O-N 2.86Å; E127-L130 PolarHBondContact O-N 2.87Å; E127-R131 WeakPolarHBondContact O-CB 3.44Å; E127-R131 VanDerWaalsContact O-CG 3.24Å; E127-R131 WeakPolarHBondContact O-CG 3.37Å; E127-R131 PolarHBondContact O-N 2.82Å; E127-R131 IonicContact OE1-CZ 3.81Å; E127-R131 IonicContact OE1-NE 3.15Å; E127-R131 PolarHBondContact OE1-NE 3.4Å; E127-R131 IonicContact OE1-NH2 3.54Å; E127-R131 PolarHBondContact OE1-NH2 3.36Å; E127-R188 IonicContact OE2-NH2 3.58Å; E127-R188 PolarHBondContact OE2-NH2 2.98Å
128	Q	98	Very high	97.4	Very high	49 Å²	49	35.4 Å²	35.4	23%	0.229	19%	0.194	C	C	.	.	H	α-helix	trans	-59.6	-48.2	174.9	-70.6	-69.5	-3.4	0	0	111.2	N44 G124 A125 L130 R131 Q132 F436	N44-Q128 WeakPolarHBondContact O-CG 3.3Å; G124-Q128 WeakPolarHBondContact O-CG 3.42Å; G124-Q128 PolarHBondContact O-N 3.34Å; A125-Q128 PolarHBondContact O-N 3.39Å; Q128-L130 PolarHBondContact O-N 2.89Å; Q128-R131 WeakPolarHBondContact O-CB 3.3Å; Q128-R131 PolarHBondContact O-N 3.42Å; Q128-Q132 WeakPolarHBondContact O-CG 3.21Å; Q128-Q132 PolarHBondContact O-N 2.96Å; Q128-F436 HydrophobicContact CB-CE1 4.08Å; Q128-F436 HydrophobicContact CB-CZ 4.24Å
129	L	98.8	Very high	97.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-50.6	178.9	-173.9	160.5	0	0	0	111.8	I118 L121 A125 Q126 R131 Q132 Y133 A409 V427 V429 F436	I118-L129 HydrophobicContact CD1-CD2 3.97Å; I118-L129 HydrophobicContact CG1-CD1 4.08Å; I118-L129 HydrophobicContact CG1-CD2 3.8Å; L121-L129 HydrophobicContact CD1-CD1 3.86Å; A125-L129 WeakPolarHBondContact O-CB 3.31Å; A125-L129 PolarHBondContact O-N 2.86Å; Q126-L129 PolarHBondContact O-N 3.22Å; L129-R131 VanDerWaalsContact C-N 3.29Å; L129-R131 PolarHBondContact O-N 2.73Å; L129-Q132 WeakPolarHBondContact O-CB 3.5Å; L129-Q132 PolarHBondContact O-N 2.89Å; L129-Q132 VanDerWaalsContact O-N 3.12Å; L129-Y133 HydrophobicContact CD2-CD2 4.11Å; L129-Y133 HydrophobicContact CD2-CE2 4.21Å; L129-Y133 PolarHBondContact O-N 3.04Å; L129-A409 HydrophobicContact CD1-CB 4.49Å; L129-V427 HydrophobicContact CD1-CG1 3.77Å; L129-V427 HydrophobicContact CG-CG1 4.16Å; L129-V429 HydrophobicContact CD1-CG2 4.08Å; L129-F436 HydrophobicContact CB-CD1 4.14Å; L129-F436 HydrophobicContact CB-CE1 3.82Å; L129-F436 HydrophobicContact CB-CE2 4.33Å; L129-F436 HydrophobicContact CB-CZ 3.92Å; L129-F436 HydrophobicContact CD1-CB 4.37Å; L129-F436 HydrophobicContact CD1-CD1 4.37Å; L129-F436 HydrophobicContact CD1-CD2 4.48Å; L129-F436 HydrophobicContact CD1-CG 4.17Å; L129-F436 HydrophobicContact CG-CD2 4.47Å; L129-F436 HydrophobicContact CG-CE2 4.47Å
130	L	98.7	Very high	97.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.9	-36.7	179.1	-67.5	176.2	0	0	0	111.8	I118 Q126 E127 Q128 Q132 Y133 F134 L185 R188 L192	I118-L130 HydrophobicContact CD1-CD2 4.36Å; Q126-L130 WeakPolarHBondContact O-CG 3.28Å; Q126-L130 PolarHBondContact O-N 2.94Å; E127-L130 PolarHBondContact O-N 2.87Å; Q128-L130 PolarHBondContact O-N 2.89Å; L130-Q132 VanDerWaalsContact C-N 3.31Å; L130-Q132 PolarHBondContact O-N 3.1Å; L130-Y133 PolarHBondContact O-N 2.66Å; L130-F134 HydrophobicContact CD2-CD2 4.3Å; L130-F134 HydrophobicContact CD2-CE2 4.04Å; L130-F134 VanDerWaalsContact O-CD2 3.31Å; L130-F134 WeakPolarHBondContact O-CD2 3.31Å; L130-F134 PolarHBondContact O-N 3.05Å; L130-L185 HydrophobicContact CD1-CD2 4.1Å; L130-R188 HydrophobicContact CD1-CB 3.82Å; L130-L192 HydrophobicContact CB-CD1 3.61Å
131	R	97.6	Very high	97.1	Very high	91 Å²	91	31.1 Å²	31.1	34%	0.343	17%	0.174	S	C	.	.	H	α-helix	trans	-60.8	-40.9	174	-79.1	173.5	178.4	-86.3	-9.2	112	E127 Q128 L129 Y133 S135 L192	E127-R131 WeakPolarHBondContact O-CB 3.44Å; E127-R131 VanDerWaalsContact O-CG 3.24Å; E127-R131 WeakPolarHBondContact O-CG 3.37Å; E127-R131 PolarHBondContact O-N 2.82Å; E127-R131 IonicContact OE1-CZ 3.81Å; E127-R131 IonicContact OE1-NE 3.15Å; E127-R131 PolarHBondContact OE1-NE 3.4Å; E127-R131 IonicContact OE1-NH2 3.54Å; E127-R131 PolarHBondContact OE1-NH2 3.36Å; Q128-R131 WeakPolarHBondContact O-CB 3.3Å; Q128-R131 PolarHBondContact O-N 3.42Å; L129-R131 VanDerWaalsContact C-N 3.29Å; L129-R131 PolarHBondContact O-N 2.73Å; R131-Y133 VanDerWaalsContact C-N 3.25Å; R131-Y133 PolarHBondContact O-N 2.93Å; R131-S135 VanDerWaalsContact O-CB 3.29Å; R131-S135 WeakPolarHBondContact O-CB 3.37Å; R131-S135 PolarHBondContact O-N 3.36Å; R131-S135 PolarHBondContact O-OG 2.82Å; R131-L192 HydrophobicContact CG-CD1 4Å; R131-L192 HydrophobicContact CG-CD2 3.83Å
132	Q	97.9	Very high	97	Very high	9 Å²	9	32.1 Å²	32.1	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-38.2	179.2	-67	-51.8	-52.4	0	0	112.4	C48 D49 Q128 L129 L130 G138 I139 F436 K438 F442	C48-Q132 WeakPolarHBondContact SG-CG 3.21Å; C48-Q132 PolarHBondContact SG-NE2 3.24Å; C48-Q132 VanDerWaalsContact SG-NE2 3.44Å; D49-Q132 PolarHBondContact O-NE2 2.84Å; D49-Q132 VanDerWaalsContact O-NE2 3.1Å; D49-Q132 PolarHBondContact O-OE1 2.84Å; Q128-Q132 WeakPolarHBondContact O-CG 3.21Å; Q128-Q132 PolarHBondContact O-N 2.96Å; L129-Q132 WeakPolarHBondContact O-CB 3.5Å; L129-Q132 PolarHBondContact O-N 2.89Å; L129-Q132 VanDerWaalsContact O-N 3.12Å; L130-Q132 VanDerWaalsContact C-N 3.31Å; L130-Q132 PolarHBondContact O-N 3.1Å; Q132-G138 CarbonylContact O-C 3.55Å; Q132-G138 WeakPolarHBondContact O-CA 3.3Å; Q132-I139 PolarHBondContact O-N 2.93Å; Q132-F436 HydrophobicContact CG-CE2 4.24Å; Q132-F436 HydrophobicContact CG-CZ 4.19Å; Q132-K438 HydrophobicContact CG-CD 4.18Å; Q132-F442 HydrophobicContact CB-CE2 4.01Å; Q132-F442 HydrophobicContact CB-CZ 3.84Å; Q132-F442 WeakPolarHBondContact O-CZ 3.41Å
133	Y	98.4	Very high	97	Very high	1 Å²	1	30 Å²	30	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-80.2	-50.8	176.4	-76.3	-59.4	0	0	0	113.4	L129 L130 R131 I139 G140 Y141 L408 V427 F442	L129-Y133 HydrophobicContact CD2-CD2 4.11Å; L129-Y133 HydrophobicContact CD2-CE2 4.21Å; L129-Y133 PolarHBondContact O-N 3.04Å; L130-Y133 PolarHBondContact O-N 2.66Å; R131-Y133 VanDerWaalsContact C-N 3.25Å; R131-Y133 PolarHBondContact O-N 2.93Å; Y133-I139 HydrophobicContact CD1-CD1 3.94Å; Y133-I139 HydrophobicContact CD1-CG1 4.3Å; Y133-I139 HydrophobicContact CE1-CD1 4.26Å; Y133-G140 PolarHBondContact O-N 3.08Å; Y133-Y141 AromaticContact CD1-CD2 3.63Å; Y133-Y141 HydrophobicContact CD1-CD2 3.63Å; Y133-Y141 HydrophobicContact CD1-CE1 4.37Å; Y133-Y141 AromaticContact CD1-CE2 3.41Å; Y133-Y141 HydrophobicContact CD1-CE2 3.41Å; Y133-Y141 VanDerWaalsContact CD1-CE2 3.41Å; Y133-Y141 HydrophobicContact CD1-CG 4.2Å; Y133-Y141 AromaticContact CD1-CZ 3.82Å; Y133-Y141 HydrophobicContact CE1-CD2 4.32Å; Y133-Y141 AromaticContact CE1-CE2 3.65Å; Y133-Y141 HydrophobicContact CE1-CE2 3.65Å; Y133-Y141 AromaticContact CE1-CZ 3.9Å; Y133-Y141 HydrophobicContact CG-CD2 4.21Å; Y133-Y141 HydrophobicContact CG-CE2 4.34Å; Y133-Y141 PolarHBondContact O-N 2.95Å; Y133-L408 HydrophobicContact CD1-CD2 4.33Å; Y133-L408 HydrophobicContact CD2-CD2 4.17Å; Y133-L408 HydrophobicContact CE1-CD2 4.34Å; Y133-L408 HydrophobicContact CE2-CB 4.38Å; Y133-L408 HydrophobicContact CE2-CD2 4.14Å; Y133-L408 WeakPolarHBondContact CE2-O 3.42Å; Y133-L408 HydrophobicContact CG-CD2 4.24Å; Y133-L408 VanDerWaalsContact CZ-O 3.29Å; Y133-L408 PolarHBondContact OH-O 3.49Å; Y133-V427 HydrophobicContact CE2-CB 4.22Å; Y133-V427 HydrophobicContact CE2-CG2 3.78Å; Y133-V427 WeakPolarHBondContact OH-CG2 3.39Å; Y133-F442 HydrophobicContact CD1-CD2 4.31Å; Y133-F442 AromaticContact CD1-CE2 3.82Å; Y133-F442 HydrophobicContact CD1-CE2 3.82Å; Y133-F442 AromaticContact CE1-CD2 3.67Å; Y133-F442 HydrophobicContact CE1-CD2 3.67Å; Y133-F442 AromaticContact CE1-CE2 3.65Å; Y133-F442 HydrophobicContact CE1-CE2 3.65Å; Y133-F442 HydrophobicContact CG-CE2 4.44Å
134	F	97.9	Very high	97.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-104.4	-22.8	-160.2	-59.5	-69.4	0	0	0	114.7	L130 V144 A189 L192 S193 L197 L408	L130-F134 HydrophobicContact CD2-CD2 4.3Å; L130-F134 HydrophobicContact CD2-CE2 4.04Å; L130-F134 VanDerWaalsContact O-CD2 3.31Å; L130-F134 WeakPolarHBondContact O-CD2 3.31Å; L130-F134 PolarHBondContact O-N 3.05Å; F134-V144 HydrophobicContact CE1-CG2 3.59Å; F134-V144 HydrophobicContact CZ-CG2 3.92Å; F134-A189 HydrophobicContact CD1-CB 4.18Å; F134-A189 HydrophobicContact CD2-CB 3.45Å; F134-A189 VanDerWaalsContact CD2-CB 3.45Å; F134-A189 HydrophobicContact CE1-CB 4.25Å; F134-A189 HydrophobicContact CE2-CB 3.54Å; F134-A189 HydrophobicContact CG-CB 3.8Å; F134-A189 HydrophobicContact CZ-CB 3.95Å; F134-L192 HydrophobicContact CB-CB 4.29Å; F134-S193 WeakPolarHBondContact O-CA 3.48Å; F134-L197 HydrophobicContact CD1-CD1 4.09Å; F134-L197 HydrophobicContact CD1-CD2 3.93Å; F134-L197 HydrophobicContact CE1-CD1 4.15Å; F134-L197 HydrophobicContact CE1-CD2 4.37Å; F134-L408 HydrophobicContact CZ-CD1 4.08Å; F134-L408 HydrophobicContact CZ-CD2 4.41Å
135	S	95.3	Very high	97.1	Very high	3 Å²	3	25 Å²	25	2%	0.021	12%	0.122	C	C	.	.	S	Bend	trans	-78	166.8	-175.8	76.8	0	0	0	0	113	R131 E137 G138 G140	R131-S135 VanDerWaalsContact O-CB 3.29Å; R131-S135 WeakPolarHBondContact O-CB 3.37Å; R131-S135 PolarHBondContact O-N 3.36Å; R131-S135 PolarHBondContact O-OG 2.82Å; S135-E137 WeakPolarHBondContact CB-OE2 3.32Å; S135-E137 PolarHBondContact O-N 2.97Å; S135-E137 PolarHBondContact OG-N 2.62Å; S135-E137 PolarHBondContact OG-OE2 3.08Å; S135-G138 PolarHBondContact O-N 3.1Å; S135-G138 PolarHBondContact OG-N 3.02Å; S135-G138 VanDerWaalsContact OG-N 3.15Å; S135-G140 PolarHBondContact O-N 3.1Å
136	K	89.9	Confident	97.1	Very high	137 Å²	137	25 Å²	25	60%	0.596	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.4	173.1	-67.4	-174.4	-178.7	-178.5	0	112.9	G52 P194	G52-K136 CarbonylContact C-O 3.57Å; K136-P194 HydrophobicContact CD-CB 4.22Å; K136-P194 HydrophobicContact CG-CB 3.84Å; K136-P194 HydrophobicContact CG-CG 3.98Å
137	E	90.5	Very high	97.1	Very high	98 Å²	98	23.9 Å²	23.9	46%	0.458	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-18.6	176.9	-59.3	74.8	-155.4	0	0	112.2	V51 G52 S135	V51-E137 PolarHBondContact N-O 3.37Å; V51-E137 VanDerWaalsContact N-O 3.12Å; G52-E137 PolarHBondContact N-O 3.28Å; S135-E137 WeakPolarHBondContact CB-OE2 3.32Å; S135-E137 PolarHBondContact O-N 2.97Å; S135-E137 PolarHBondContact OG-N 2.62Å; S135-E137 PolarHBondContact OG-OE2 3.08Å
138	G	95.1	Very high	97.1	Very high	3 Å²	3	21.4 Å²	21.4	3%	0.031	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-142.3	172.4	0	0	0	0	0	112.6	Q132 S135	Q132-G138 CarbonylContact O-C 3.55Å; Q132-G138 WeakPolarHBondContact O-CA 3.3Å; S135-G138 PolarHBondContact O-N 3.1Å; S135-G138 PolarHBondContact OG-N 3.02Å; S135-G138 VanDerWaalsContact OG-N 3.15Å
139	I	96.8	Very high	97.2	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	1.1	-176.5	68.8	175.5	0	0	0	114.1	V51 Q132 Y133 Y141 F442 M445 A446 S449 A450	V51-I139 HydrophobicContact CG2-CG2 3.86Å; Q132-I139 PolarHBondContact O-N 2.93Å; Y133-I139 HydrophobicContact CD1-CD1 3.94Å; Y133-I139 HydrophobicContact CD1-CG1 4.3Å; Y133-I139 HydrophobicContact CE1-CD1 4.26Å; I139-Y141 HydrophobicContact CD1-CD1 3.73Å; I139-Y141 HydrophobicContact CD1-CE1 3.22Å; I139-Y141 HydrophobicContact CG1-CD1 3.73Å; I139-Y141 HydrophobicContact CG1-CE1 3.78Å; I139-Y141 PolarHBondContact O-N 3.19Å; I139-F442 HydrophobicContact CB-CZ 4.34Å; I139-F442 HydrophobicContact CD1-CD2 4.14Å; I139-F442 HydrophobicContact CD1-CE1 4.25Å; I139-F442 HydrophobicContact CD1-CE2 3.73Å; I139-F442 HydrophobicContact CD1-CZ 3.79Å; I139-F442 HydrophobicContact CG1-CE2 4.24Å; I139-F442 HydrophobicContact CG1-CZ 3.97Å; I139-F442 HydrophobicContact CG2-CD1 4.36Å; I139-F442 HydrophobicContact CG2-CE1 3.41Å; I139-F442 VanDerWaalsContact CG2-CE1 3.41Å; I139-F442 HydrophobicContact CG2-CE2 4.47Å; I139-F442 HydrophobicContact CG2-CZ 3.48Å; I139-F442 VanDerWaalsContact CG2-CZ 3.48Å; I139-M445 HydrophobicContact CD1-CB 4.19Å; I139-A446 HydrophobicContact CB-CB 4.21Å; I139-A446 HydrophobicContact CG2-CB 3.42Å; I139-A446 VanDerWaalsContact CG2-CB 3.42Å; I139-S449 CarbonylContact O-C 3.48Å; I139-S449 VanDerWaalsContact O-CB 3.27Å; I139-S449 WeakPolarHBondContact O-CB 3.43Å; I139-S449 PolarHBondContact O-OG 3.41Å; I139-S449 VanDerWaalsContact O-OG 3.05Å; I139-A450 WeakPolarHBondContact O-CA 3.42Å; I139-A450 PolarHBondContact O-N 2.81Å
140	G	95.9	Very high	97.2	Very high	26 Å²	26	19.3 Å²	19.3	27%	0.268	10%	0.096	S	C	.	.			trans	64.4	39	168.9	0	0	0	0	0	115.4	Y133 S135 S142	Y133-G140 PolarHBondContact O-N 3.08Å; S135-G140 PolarHBondContact O-N 3.1Å; G140-S142 PolarHBondContact O-N 3.25Å
141	Y	98.2	Very high	97.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.			trans	-50.2	133.4	171.5	-85.3	13.7	0	0	0	111.4	G107 Y133 I139 L197 L408 M445	G107-Y141 WeakPolarHBondContact O-CE2 3.42Å; Y133-Y141 AromaticContact CD1-CD2 3.63Å; Y133-Y141 HydrophobicContact CD1-CD2 3.63Å; Y133-Y141 HydrophobicContact CD1-CE1 4.37Å; Y133-Y141 AromaticContact CD1-CE2 3.41Å; Y133-Y141 HydrophobicContact CD1-CE2 3.41Å; Y133-Y141 VanDerWaalsContact CD1-CE2 3.41Å; Y133-Y141 HydrophobicContact CD1-CG 4.2Å; Y133-Y141 AromaticContact CD1-CZ 3.82Å; Y133-Y141 HydrophobicContact CE1-CD2 4.32Å; Y133-Y141 AromaticContact CE1-CE2 3.65Å; Y133-Y141 HydrophobicContact CE1-CE2 3.65Å; Y133-Y141 AromaticContact CE1-CZ 3.9Å; Y133-Y141 HydrophobicContact CG-CD2 4.21Å; Y133-Y141 HydrophobicContact CG-CE2 4.34Å; Y133-Y141 PolarHBondContact O-N 2.95Å; I139-Y141 HydrophobicContact CD1-CD1 3.73Å; I139-Y141 HydrophobicContact CD1-CE1 3.22Å; I139-Y141 HydrophobicContact CG1-CD1 3.73Å; I139-Y141 HydrophobicContact CG1-CE1 3.78Å; I139-Y141 PolarHBondContact O-N 3.19Å; Y141-L197 VanDerWaalsContact O-CD2 3.32Å; Y141-L197 WeakPolarHBondContact O-CD2 3.49Å; Y141-L408 HydrophobicContact CD2-CD2 3.96Å; Y141-L408 HydrophobicContact CE2-CD2 3.86Å; Y141-M445 HydrophobicContact CE1-CB 4.17Å; Y141-M445 HydrophobicContact CE1-CE 3.86Å; Y141-M445 WeakPolarHBondContact OH-CB 3.23Å; Y141-M445 WeakPolarHBondContact OH-CE 3.28Å; Y141-M445 VanDerWaalsContact OH-CG 3.31Å; Y141-M445 WeakPolarHBondContact OH-CG 3.37Å
142	S	97.8	Very high	97.2	Very high	28 Å²	28	15.2 Å²	15.2	20%	0.196	8%	0.081	C	C	.	.			trans	-120	-10.6	-176.1	63.4	0	0	0	0	113.2	G105 F106 G140 S198	G105-S142 WeakPolarHBondContact CA-OG 3.49Å; F106-S142 PolarHBondContact O-N 3.08Å; G140-S142 PolarHBondContact O-N 3.25Å; S142-S198 PolarHBondContact O-N 2.94Å
143	V	98.7	Very high	97.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140	177.3	-178.2	0	0	0	0	109.6	F106 G107 S198 F362	F106-V143 PolarHBondContact O-N 3.23Å; F106-V143 VanDerWaalsContact O-N 3.09Å; G107-V143 WeakPolarHBondContact CA-O 3.36Å; V143-S198 WeakPolarHBondContact CA-O 3.37Å; V143-F362 HydrophobicContact CG1-CZ 4.03Å; V143-F362 HydrophobicContact CG2-CZ 4.13Å
144	V	98.9	Very high	97.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	120.8	168.6	-174.8	0	0	0	0	110	G108 M110 F134 V146 L186 L197 S198 L199 L200	G108-V144 VanDerWaalsContact O-CA 3.3Å; G108-V144 WeakPolarHBondContact O-CA 3.24Å; M110-V144 HydrophobicContact CB-CG1 3.79Å; F134-V144 HydrophobicContact CE1-CG2 3.59Å; F134-V144 HydrophobicContact CZ-CG2 3.92Å; V144-V146 HydrophobicContact CG1-CG2 4.39Å; V144-L186 HydrophobicContact CB-CD2 4.13Å; V144-L186 HydrophobicContact CG1-CD2 3.6Å; V144-L186 HydrophobicContact CG2-CD2 4.48Å; V144-L197 HydrophobicContact CG2-CD1 3.96Å; V144-S198 PolarHBondContact N-O 2.96Å; V144-L199 HydrophobicContact CB-CD2 3.91Å; V144-L199 WeakPolarHBondContact O-CA 3.34Å; V144-L200 PolarHBondContact O-N 3.16Å
145	R	98.9	Very high	97.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.2	171.9	-170.8	170.4	-173.4	-86.5	14.3	109.7	G108 A109 M110 L200 S202 N259 D307 T364 E365 T404	G108-R145 PolarHBondContact O-N 3.23Å; A109-R145 CarbonylContact C-O 3.5Å; A109-R145 VanDerWaalsContact CA-O 3.24Å; A109-R145 WeakPolarHBondContact CA-O 3.43Å; A109-R145 HydrophobicContact CB-CB 3.98Å; M110-R145 PolarHBondContact N-O 3.49Å; R145-L200 CarbonylContact C-O 3.44Å; R145-L200 VanDerWaalsContact CA-O 3.31Å; R145-L200 WeakPolarHBondContact CA-O 3.49Å; R145-L200 HydrophobicContact CB-CD2 4.45Å; R145-L200 HydrophobicContact CG-CD2 4.13Å; R145-L200 HydrophobicContact CG-CG 4.31Å; R145-S202 VanDerWaalsContact CZ-CB 3.45Å; R145-S202 VanDerWaalsContact CZ-OG 3.31Å; R145-S202 PolarHBondContact NE-OG 2.94Å; R145-S202 PolarHBondContact NH2-OG 3.1Å; R145-N259 PolarHBondContact NH2-OD1 3.01Å; R145-D307 IonicContact CZ-OD2 3.61Å; R145-D307 IonicContact NH2-OD1 2.75Å; R145-D307 IonicContact NH2-OD2 3Å; R145-D307 PolarHBondContact NH2-OD2 3.37Å; R145-T364 WeakPolarHBondContact CD-O 3.38Å; R145-E365 IonicContact NH2-OE2 3.81Å; R145-T404 HydrophobicContact CB-CG2 4.11Å
146	V	98.9	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113.8	-177	-173.9	0	0	0	0	108.4	V144 M148 L186 L200 G201 S202 Y245 F252	V144-V146 HydrophobicContact CG1-CG2 4.39Å; V146-M148 PolarHBondContact O-N 3.47Å; V146-L186 HydrophobicContact CG1-CD1 4.5Å; V146-L186 HydrophobicContact CG2-CD1 3.89Å; V146-L186 HydrophobicContact CG2-CD2 4.27Å; V146-L200 PolarHBondContact N-O 3.26Å; V146-G201 WeakPolarHBondContact O-CA 3.36Å; V146-S202 PolarHBondContact O-N 3.11Å; V146-Y245 HydrophobicContact CG1-CE1 4.19Å; V146-F252 HydrophobicContact CB-CE1 3.96Å; V146-F252 HydrophobicContact CB-CZ 4.17Å; V146-F252 HydrophobicContact CG1-CZ 4.45Å; V146-F252 HydrophobicContact CG2-CE1 4.08Å; V146-F252 HydrophobicContact CG2-CZ 4.28Å
147	P	98.9	Very high	97.8	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	133.5	172	-23.3	33.5	0	0	0	112.1	M110 T111 A149 K182 W204	M110-P147 WeakPolarHBondContact O-CD 3.08Å; T111-P147 HydrophobicContact CG2-CG 4Å; P147-A149 PolarHBondContact O-N 3Å; P147-K182 PolarHBondContact O-NZ 2.98Å; P147-W204 HydrophobicContact CB-CE3 4.06Å; P147-W204 HydrophobicContact CB-CH2 3.68Å; P147-W204 HydrophobicContact CB-CZ3 3.35Å; P147-W204 HydrophobicContact CG-CH2 3.55Å; P147-W204 HydrophobicContact CG-CZ3 3.74Å
148	M	98.9	Very high	98.2	Very high	2 Å²	2	16 Å²	16	1%	0.01	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	99.2	170.8	-59.8	170.6	62.6	0	0	108	V146 Y160 S202 A203 Y237 Y238 F241 L255	V146-M148 PolarHBondContact O-N 3.47Å; M148-Y160 HydrophobicContact CB-CE2 4.37Å; M148-S202 PolarHBondContact N-O 3.27Å; M148-A203 HydrophobicContact CB-CB 3.87Å; M148-A203 HydrophobicContact CE-CB 4.41Å; M148-A203 HydrophobicContact CG-CB 4.46Å; M148-A203 HydrophobicContact SD-CB 4Å; M148-Y237 HydrophobicContact CE-CD1 4.31Å; M148-Y237 HydrophobicContact CE-CE1 4.33Å; M148-Y238 HydrophobicContact CE-CD1 3.52Å; M148-Y238 HydrophobicContact CE-CD2 4.03Å; M148-Y238 HydrophobicContact CE-CE1 3.78Å; M148-Y238 HydrophobicContact CE-CE2 4.26Å; M148-Y238 HydrophobicContact CE-CG 3.67Å; M148-Y238 HydrophobicContact SD-CD1 3.8Å; M148-Y238 HydrophobicContact SD-CE1 3.57Å; M148-Y238 VanDerWaalsContact SD-CE1 3.57Å; M148-F241 HydrophobicContact CB-CD2 4.45Å; M148-F241 HydrophobicContact CB-CE2 4.39Å; M148-F241 HydrophobicContact CE-CB 3.75Å; M148-F241 HydrophobicContact CE-CD1 3.72Å; M148-F241 HydrophobicContact CE-CD2 4.41Å; M148-F241 HydrophobicContact CE-CE1 4.41Å; M148-F241 HydrophobicContact CE-CG 3.7Å; M148-F241 HydrophobicContact CG-CD1 4Å; M148-F241 HydrophobicContact CG-CD2 4.02Å; M148-F241 HydrophobicContact CG-CE1 3.8Å; M148-F241 HydrophobicContact CG-CE2 3.79Å; M148-F241 HydrophobicContact CG-CG 4.09Å; M148-F241 HydrophobicContact CG-CZ 3.66Å; M148-F241 HydrophobicContact SD-CD1 4.04Å; M148-F241 HydrophobicContact SD-CE1 4.15Å; M148-F241 HydrophobicContact SD-CG 4.43Å; M148-L255 HydrophobicContact SD-CD2 4.08Å
149	A	98.8	Very high	98.4	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.017	9%	0.091	C	C	.	.	S	Bend	trans	67.8	-146.4	-169.5	0	0	0	0	0	113.4	P147 Y158 Y160	P147-A149 PolarHBondContact O-N 3Å; A149-Y158 HydrophobicContact CB-CD2 3.89Å; A149-Y158 HydrophobicContact CB-CE2 3.73Å; A149-Y158 WeakPolarHBondContact CB-O 3.43Å; A149-Y160 HydrophobicContact CB-CD1 4.05Å; A149-Y160 HydrophobicContact CB-CD2 4.31Å; A149-Y160 HydrophobicContact CB-CE1 3.74Å; A149-Y160 HydrophobicContact CB-CE2 4.04Å; A149-Y160 HydrophobicContact CB-CG 4.33Å; A149-Y160 PolarHBondContact N-OH 3.48Å
150	S	98.8	Very high	98.5	Very high	4 Å²	4	16.5 Å²	16.5	3%	0.028	9%	0.092	C	C	.	.			trans	-78.8	147.6	-172.5	64.4	0	0	0	0	114.3	S154 R156 Y158 Q272	S150-S154 WeakPolarHBondContact CA-OG 3.42Å; S150-R156 WeakPolarHBondContact CB-O 3.48Å; S150-Y158 WeakPolarHBondContact CB-O 3.34Å; S150-Y158 PolarHBondContact N-O 3.36Å; S150-Y158 PolarHBondContact OG-N 3.01Å; S150-Y158 PolarHBondContact OG-O 3.23Å; S150-Q272 VanDerWaalsContact C-NE2 3.29Å; S150-Q272 PolarHBondContact O-NE2 2.84Å; S150-Q272 PolarHBondContact OG-NE2 3.3Å
151	C	98.8	Very high	98.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	8%	0.079	C	C	.	.			trans	-127.7	-170.2	166.1	63	0	0	0	0	111	F153 S154 W204 Q272 W418	C151-F153 VanDerWaalsContact C-N 3.27Å; C151-F153 PolarHBondContact O-N 3.45Å; C151-S154 PolarHBondContact N-OG 3.45Å; C151-S154 VanDerWaalsContact O-CB 3.28Å; C151-S154 WeakPolarHBondContact O-CB 3.24Å; C151-S154 PolarHBondContact O-N 3.29Å; C151-S154 PolarHBondContact O-OG 3.12Å; C151-W204 HydrophobicContact CB-CD2 3.5Å; C151-W204 VanDerWaalsContact CB-CD2 3.5Å; C151-W204 HydrophobicContact CB-CE3 4.06Å; C151-W204 HydrophobicContact CB-CG 3.88Å; C151-W204 HydrophobicContact CB-CH2 3.91Å; C151-W204 HydrophobicContact CB-CZ2 3.26Å; C151-W204 HydrophobicContact CB-CZ3 4.32Å; C151-Q272 VanDerWaalsContact C-CD 3.48Å; C151-Q272 VanDerWaalsContact C-OE1 3.27Å; C151-Q272 PolarHBondContact O-NE2 3.47Å; C151-Q272 PolarHBondContact O-OE1 2.85Å; C151-W418 PolarHBondContact O-NE1 3.01Å
152	D	98.4	Very high	98.6	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.021	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-36.7	173.2	65.9	-39.9	0	0	0	112	S154 F271 N417 W418 V419 N421	D152-S154 PolarHBondContact O-N 3.13Å; D152-F271 HydrophobicContact CB-CB 3.79Å; D152-F271 HydrophobicContact CB-CD1 4.08Å; D152-F271 HydrophobicContact CB-CD2 3.77Å; D152-F271 HydrophobicContact CB-CE2 4.27Å; D152-F271 HydrophobicContact CB-CG 3.63Å; D152-N417 VanDerWaalsContact C-ND2 3.31Å; D152-N417 VanDerWaalsContact O-CA 3.32Å; D152-N417 WeakPolarHBondContact O-CA 3.4Å; D152-N417 PolarHBondContact O-ND2 3.41Å; D152-N417 PolarHBondContact O-OD1 2.93Å; D152-N417 PolarHBondContact OD2-ND2 3.35Å; D152-W418 VanDerWaalsContact O-CD1 3.24Å; D152-W418 PolarHBondContact O-N 3.15Å; D152-W418 VanDerWaalsContact O-N 3.14Å; D152-V419 HydrophobicContact CB-CG1 3.96Å; D152-N421 PolarHBondContact OD2-ND2 3.12Å
153	F	98.8	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	35.5	169.5	-73.4	-84.2	0	0	0	114.1	T111 A113 C151 W406 N407 L410 G414 N417 N421 V423	T111-F153 HydrophobicContact CG2-CB 4.29Å; A113-F153 HydrophobicContact CB-CB 3.85Å; A113-F153 HydrophobicContact CB-CD1 3.87Å; A113-F153 HydrophobicContact CB-CG 4.36Å; A113-F153 WeakPolarHBondContact CB-O 3.44Å; A113-F153 PolarHBondContact N-O 2.85Å; C151-F153 VanDerWaalsContact C-N 3.27Å; C151-F153 PolarHBondContact O-N 3.45Å; F153-W406 AromaticContact CD2-NE1 3.4Å; F153-W406 AromaticContact CE2-CD1 3.86Å; F153-W406 AromaticContact CE2-NE1 3.44Å; F153-N407 WeakPolarHBondContact CB-OD1 3.33Å; F153-N407 VanDerWaalsContact CD1-ND2 3.33Å; F153-N407 WeakPolarHBondContact CD1-ND2 3.35Å; F153-N407 WeakPolarHBondContact CD1-OD1 3.28Å; F153-N407 WeakPolarHBondContact CD2-ND2 3.4Å; F153-N407 VanDerWaalsContact CE1-ND2 3.29Å; F153-N407 WeakPolarHBondContact CE1-ND2 3.44Å; F153-N407 WeakPolarHBondContact CE2-ND2 3.32Å; F153-N407 WeakPolarHBondContact CG-ND2 3.06Å; F153-N407 WeakPolarHBondContact CG-OD1 3.34Å; F153-N407 WeakPolarHBondContact CZ-ND2 3.11Å; F153-L410 HydrophobicContact CD1-CD2 3.68Å; F153-L410 HydrophobicContact CE1-CD1 3.93Å; F153-L410 HydrophobicContact CE1-CD2 3.67Å; F153-L410 HydrophobicContact CE1-CG 4.49Å; F153-G414 WeakPolarHBondContact CE1-O 3.24Å; F153-N417 HydrophobicContact CD1-CB 4.17Å; F153-N417 HydrophobicContact CE1-CB 4.14Å; F153-N417 WeakPolarHBondContact CE2-ND2 3.19Å; F153-N417 WeakPolarHBondContact CZ-ND2 3.43Å; F153-N421 WeakPolarHBondContact CZ-O 3.42Å; F153-V423 HydrophobicContact CE1-CG2 4.09Å; F153-V423 HydrophobicContact CE2-CG2 4.09Å; F153-V423 HydrophobicContact CZ-CB 4.28Å; F153-V423 HydrophobicContact CZ-CG1 4.14Å; F153-V423 HydrophobicContact CZ-CG2 3.37Å
154	S	98.8	Very high	98.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	14%	0.142	C	C	.	.	S	Bend	trans	-113.3	163.4	164.6	-62.9	0	0	0	0	110.2	D112 S150 C151 D152 R156 W418	D112-S154 VanDerWaalsContact OD2-CB 3.31Å; D112-S154 WeakPolarHBondContact OD2-CB 3.39Å; D112-S154 PolarHBondContact OD2-OG 3.09Å; S150-S154 WeakPolarHBondContact CA-OG 3.42Å; C151-S154 PolarHBondContact N-OG 3.45Å; C151-S154 VanDerWaalsContact O-CB 3.28Å; C151-S154 WeakPolarHBondContact O-CB 3.24Å; C151-S154 PolarHBondContact O-N 3.29Å; C151-S154 PolarHBondContact O-OG 3.12Å; D152-S154 PolarHBondContact O-N 3.13Å; S154-R156 WeakPolarHBondContact CB-O 3.43Å; S154-W418 VanDerWaalsContact O-CB 3.3Å; S154-W418 WeakPolarHBondContact O-CB 3.31Å; S154-W418 PolarHBondContact O-N 3.43Å; S154-W418 VanDerWaalsContact O-N 3.1Å
155	T	98.2	Very high	98.5	Very high	79 Å²	79	27.8 Å²	27.8	49%	0.485	16%	0.161	S	C	.	.	S	Bend	trans	-90.6	-9.9	174.9	54.6	0	0	0	0	113.4	I116 P416	I116-T155 HydrophobicContact CD1-CG2 3.71Å; T155-P416 HydrophobicContact CG2-CB 3.98Å; T155-P416 HydrophobicContact CG2-CG 4.02Å
156	R	98.1	Very high	98.5	Very high	106 Å²	106	28.6 Å²	28.6	40%	0.4	17%	0.166	S	C	.	.	S	Bend	trans	-154	161.3	177.3	72	-175.3	179.1	90.8	7.8	110.6	S150 S154 Y158 E177	S150-R156 WeakPolarHBondContact CB-O 3.48Å; S154-R156 WeakPolarHBondContact CB-O 3.43Å; R156-Y158 HydrophobicContact CG-CD1 3.91Å; R156-Y158 VanDerWaalsContact NH1-CB 3.35Å; R156-E177 IonicContact CZ-OE1 2.88Å; R156-E177 VanDerWaalsContact CZ-OE1 3.3Å; R156-E177 IonicContact CZ-OE2 2.94Å; R156-E177 IonicContact NE-OE1 3.1Å; R156-E177 PolarHBondContact NE-OE1 2.94Å; R156-E177 VanDerWaalsContact NH2-CD 3.31Å; R156-E177 IonicContact NH2-OE1 2.74Å; R156-E177 PolarHBondContact NH2-OE1 2.85Å; R156-E177 IonicContact NH2-OE2 3.27Å; R156-E177 PolarHBondContact NH2-OE2 2.76Å
157	L	98.4	Very high	98.4	Very high	72 Å²	72	32.9 Å²	32.9	38%	0.377	18%	0.183	S	C	.	.			trans	-81.7	129.9	172	-67.7	-177.2	0	0	0	111.1	L216 Q272 W418	L157-L216 HydrophobicContact CB-CD1 3.92Å; L157-L216 HydrophobicContact CD2-CD1 4.36Å; L157-Q272 HydrophobicContact CD2-CG 3.72Å; L157-Q272 VanDerWaalsContact CD2-NE2 3.28Å; L157-W418 HydrophobicContact CD1-CH2 4.15Å; L157-W418 HydrophobicContact CD1-CZ2 4.33Å; L157-W418 HydrophobicContact CD2-CD2 4.32Å; L157-W418 HydrophobicContact CD2-CH2 4.11Å; L157-W418 HydrophobicContact CD2-CZ2 3.45Å; L157-W418 VanDerWaalsContact CD2-CZ2 3.45Å; L157-W418 HydrophobicContact CG-CH2 4.38Å; L157-W418 HydrophobicContact CG-CZ2 4.16Å
158	Y	98.8	Very high	98.4	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.02	21%	0.21	C	C	.	.			trans	-161.7	156.1	172.7	67.2	-87.5	0	0	0	113	D112 A149 S150 R156 Y160 A175 E177	D112-Y158 PolarHBondContact OD1-OH 3.36Å; D112-Y158 WeakPolarHBondContact OD2-CE1 3.29Å; D112-Y158 PolarHBondContact OD2-OH 3.31Å; A149-Y158 HydrophobicContact CB-CD2 3.89Å; A149-Y158 HydrophobicContact CB-CE2 3.73Å; A149-Y158 WeakPolarHBondContact CB-O 3.43Å; S150-Y158 WeakPolarHBondContact CB-O 3.34Å; S150-Y158 PolarHBondContact N-O 3.36Å; S150-Y158 PolarHBondContact OG-N 3.01Å; S150-Y158 PolarHBondContact OG-O 3.23Å; R156-Y158 HydrophobicContact CG-CD1 3.91Å; R156-Y158 VanDerWaalsContact NH1-CB 3.35Å; Y158-Y160 HydrophobicContact CE2-CE1 4.21Å; Y158-A175 HydrophobicContact CD2-CB 3.65Å; Y158-A175 HydrophobicContact CE2-CB 3.32Å; Y158-E177 HydrophobicContact CE1-CG 4.08Å; Y158-E177 WeakPolarHBondContact OH-CB 3.48Å
159	T	98.8	Very high	98.3	Very high	11 Å²	11	35.8 Å²	35.8	7%	0.067	21%	0.211	C	C	.	.			trans	-123	179.7	162.9	80	0	0	0	0	110.2	A161 D162 P207 L216	T159-A161 PolarHBondContact OG1-N 3.44Å; T159-D162 WeakPolarHBondContact CB-OD1 3.45Å; T159-D162 PolarHBondContact N-OD1 3.2Å; T159-D162 PolarHBondContact N-OD2 3.34Å; T159-D162 VanDerWaalsContact N-OD2 3.08Å; T159-D162 VanDerWaalsContact OG1-CG 3.28Å; T159-D162 PolarHBondContact OG1-OD1 2.95Å; T159-P207 HydrophobicContact CG2-CG 4.46Å; T159-L216 HydrophobicContact CG2-CD1 4.39Å; T159-L216 HydrophobicContact CG2-CD2 3.68Å
160	Y	98.9	Very high	98.3	Very high	5 Å²	5	45 Å²	45	2%	0.02	25%	0.251	C	S	.	.	S	Bend	trans	-84.2	-9.8	175.3	-56.4	-42	0	0	0	113.4	M148 A149 Y158 F172 A173 L174 A175 D178 Y237 F241	M148-Y160 HydrophobicContact CB-CE2 4.37Å; A149-Y160 HydrophobicContact CB-CD1 4.05Å; A149-Y160 HydrophobicContact CB-CD2 4.31Å; A149-Y160 HydrophobicContact CB-CE1 3.74Å; A149-Y160 HydrophobicContact CB-CE2 4.04Å; A149-Y160 HydrophobicContact CB-CG 4.33Å; A149-Y160 PolarHBondContact N-OH 3.48Å; Y158-Y160 HydrophobicContact CE2-CE1 4.21Å; Y160-F172 VanDerWaalsContact CB-CE2 3.5Å; Y160-F172 HydrophobicContact CD2-CE1 4.32Å; Y160-F172 AromaticContact CD2-CE2 3.92Å; Y160-F172 HydrophobicContact CD2-CE2 3.92Å; Y160-F172 AromaticContact CD2-CZ 3.51Å; Y160-F172 HydrophobicContact CD2-CZ 3.51Å; Y160-F172 HydrophobicContact CE2-CZ 4.48Å; Y160-F172 HydrophobicContact CG-CE1 4.33Å; Y160-F172 HydrophobicContact CG-CE2 4.15Å; Y160-F172 AromaticContact CG-CZ 3.83Å; Y160-F172 HydrophobicContact CG-CZ 3.83Å; Y160-F172 CarbonylContact O-C 3.59Å; Y160-F172 VanDerWaalsContact O-CA 3.23Å; Y160-F172 WeakPolarHBondContact O-CA 3.21Å; Y160-A173 WeakPolarHBondContact CA-O 3.43Å; Y160-A173 WeakPolarHBondContact CB-O 3.39Å; Y160-A173 WeakPolarHBondContact CD1-O 3.45Å; Y160-A173 PolarHBondContact O-N 2.84Å; Y160-L174 HydrophobicContact CD1-CD2 4.34Å; Y160-L174 HydrophobicContact CD2-CD2 4.39Å; Y160-L174 HydrophobicContact CE1-CD2 4.09Å; Y160-L174 HydrophobicContact CE2-CD2 4.13Å; Y160-L174 HydrophobicContact CG-CD2 4.48Å; Y160-A175 HydrophobicContact CE1-CB 4.33Å; Y160-D178 WeakPolarHBondContact CE1-OD2 3.41Å; Y160-D178 VanDerWaalsContact OH-CG 3.24Å; Y160-D178 PolarHBondContact OH-OD1 3.09Å; Y160-D178 PolarHBondContact OH-OD2 3.13Å; Y160-Y237 WeakPolarHBondContact CB-OH 3.42Å; Y160-Y237 AromaticContact CD2-CE1 3.86Å; Y160-Y237 HydrophobicContact CD2-CE1 3.86Å; Y160-Y237 HydrophobicContact CD2-CE2 4.41Å; Y160-Y237 AromaticContact CD2-CZ 3.54Å; Y160-Y237 WeakPolarHBondContact CD2-OH 3.45Å; Y160-Y237 AromaticContact CG-CZ 3.97Å; Y160-Y237 PolarHBondContact N-OH 3.42Å; Y160-F241 AromaticContact CE2-CD2 3.75Å; Y160-F241 HydrophobicContact CE2-CD2 3.75Å; Y160-F241 HydrophobicContact CE2-CE2 4.34Å
161	A	98.5	Very high	98.2	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.			trans	-142.6	56.9	-173.5	0	0	0	0	0	112.2	T159 T163 L169 F172 P207 W209 Y237	T159-A161 PolarHBondContact OG1-N 3.44Å; A161-T163 VanDerWaalsContact C-N 3.25Å; A161-T163 PolarHBondContact O-N 3.36Å; A161-L169 HydrophobicContact CB-CD2 3.79Å; A161-F172 HydrophobicContact CB-CD2 4.38Å; A161-P207 HydrophobicContact CB-CG 4.19Å; A161-P207 WeakPolarHBondContact O-CB 3.49Å; A161-W209 PolarHBondContact O-NE1 2.92Å; A161-Y237 HydrophobicContact CB-CD2 4.11Å; A161-Y237 HydrophobicContact CB-CE2 3.96Å
162	D	98	Very high	98.2	Very high	74 Å²	74	47.6 Å²	47.6	40%	0.396	27%	0.268	S	S	.	.			trans	-74.1	-7.7	-175.2	-72	-37.4	0	0	0	114.6	T159 P164	T159-D162 WeakPolarHBondContact CB-OD1 3.45Å; T159-D162 PolarHBondContact N-OD1 3.2Å; T159-D162 PolarHBondContact N-OD2 3.34Å; T159-D162 VanDerWaalsContact N-OD2 3.08Å; T159-D162 VanDerWaalsContact OG1-CG 3.28Å; T159-D162 PolarHBondContact OG1-OD1 2.95Å; D162-P164 VanDerWaalsContact O-CD 3.26Å; D162-P164 WeakPolarHBondContact O-CD 3.34Å
163	T	98.2	Very high	98.2	Very high	74 Å²	74	50.1 Å²	50.1	45%	0.454	29%	0.289	S	S	.	.	S	Bend	trans	-67.6	117.2	176.6	-54.2	0	0	0	0	111.1	A161 G165 D166 S171 W209	A161-T163 VanDerWaalsContact C-N 3.25Å; A161-T163 PolarHBondContact O-N 3.36Å; T163-G165 PolarHBondContact O-N 3.15Å; T163-D166 WeakPolarHBondContact O-CB 3.41Å; T163-D166 PolarHBondContact O-N 2.86Å; T163-S171 VanDerWaalsContact CB-OG 3.23Å; T163-S171 WeakPolarHBondContact CB-OG 3.37Å; T163-S171 WeakPolarHBondContact OG1-CB 3.07Å; T163-S171 PolarHBondContact OG1-OG 3.24Å; T163-W209 PolarHBondContact O-NE1 3.44Å; T163-W209 VanDerWaalsContact O-NE1 3.14Å
164	P	97.9	Very high	98.2	Very high	102 Å²	102	51.1 Å²	51.1	66%	0.662	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	131.8	-176.4	-25.6	35.9	0	0	0	113.7	D162 D166 W209	D162-P164 VanDerWaalsContact O-CD 3.26Å; D162-P164 WeakPolarHBondContact O-CD 3.34Å; P164-D166 VanDerWaalsContact C-N 3.3Å; P164-D166 PolarHBondContact O-N 2.97Å; P164-W209 HydrophobicContact CB-CB 4.15Å; P164-W209 HydrophobicContact CB-CG 4.42Å
165	G	96.8	Very high	98.2	Very high	40 Å²	40	51.5 Å²	51.5	41%	0.412	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	11.9	176.2	0	0	0	0	0	114.7	T163 Y167	T163-G165 PolarHBondContact O-N 3.15Å; G165-Y167 WeakPolarHBondContact O-CD2 3.5Å; G165-Y167 PolarHBondContact O-N 2.84Å
166	D	97.8	Very high	98.3	Very high	18 Å²	18	51 Å²	51	10%	0.096	30%	0.295	C	S	.	.			trans	-76.7	65.6	174.8	-174.2	23.3	0	0	0	112.3	T163 P164 G168 L169 K170 S171 W209	T163-D166 WeakPolarHBondContact O-CB 3.41Å; T163-D166 PolarHBondContact O-N 2.86Å; P164-D166 VanDerWaalsContact C-N 3.3Å; P164-D166 PolarHBondContact O-N 2.97Å; D166-G168 PolarHBondContact O-N 3.47Å; D166-L169 PolarHBondContact O-N 2.96Å; D166-L169 PolarHBondContact OD1-N 3.28Å; D166-L169 VanDerWaalsContact OD1-N 3.11Å; D166-L169 VanDerWaalsContact OD2-CA 3.28Å; D166-L169 WeakPolarHBondContact OD2-CA 3.44Å; D166-K170 VanDerWaalsContact CG-N 3.31Å; D166-K170 PolarHBondContact OD1-N 3.33Å; D166-K170 PolarHBondContact OD2-N 2.04Å; D166-S171 PolarHBondContact OD2-N 2.69Å; D166-S171 PolarHBondContact OD2-OG 3.36Å; D166-S171 VanDerWaalsContact OD2-OG 3.05Å; D166-W209 VanDerWaalsContact C-CH2 3.45Å; D166-W209 HydrophobicContact CB-CZ2 4.26Å; D166-W209 WeakPolarHBondContact O-CH2 3.34Å
167	Y	98.1	Very high	98.3	Very high	90 Å²	90	46.8 Å²	46.8	35%	0.353	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.5	176.1	-62.2	-81.7	0	0	0	113.2	G165 W209 K229 E230 T233	G165-Y167 WeakPolarHBondContact O-CD2 3.5Å; G165-Y167 PolarHBondContact O-N 2.84Å; Y167-W209 HydrophobicContact CD1-CH2 4.19Å; Y167-W209 AromaticContact CD1-CZ3 3.84Å; Y167-W209 HydrophobicContact CD1-CZ3 3.84Å; Y167-W209 HydrophobicContact CD2-CZ3 4.46Å; Y167-W209 HydrophobicContact CE1-CH2 4.45Å; Y167-W209 AromaticContact CE1-CZ3 3.66Å; Y167-W209 HydrophobicContact CE1-CZ3 3.66Å; Y167-W209 HydrophobicContact CE2-CZ3 4.27Å; Y167-W209 HydrophobicContact CG-CH2 4.38Å; Y167-W209 HydrophobicContact CG-CZ3 4.25Å; Y167-W209 AromaticContact CZ-CZ3 3.87Å; Y167-K229 HydrophobicContact CD1-CB 4.35Å; Y167-K229 HydrophobicContact CD1-CD 4.37Å; Y167-K229 HydrophobicContact CD1-CG 4.26Å; Y167-K229 HydrophobicContact CE1-CB 4.36Å; Y167-K229 HydrophobicContact CE1-CD 3.74Å; Y167-K229 HydrophobicContact CE1-CG 3.77Å; Y167-K229 VanDerWaalsContact OH-CE 3.29Å; Y167-K229 WeakPolarHBondContact OH-CE 3.02Å; Y167-K229 PolarHBondContact OH-NZ 3.31Å; Y167-E230 HydrophobicContact CE1-CG 4.15Å; Y167-T233 WeakPolarHBondContact CD1-OG1 3.35Å
168	G	97.9	Very high	98.3	Very high	56 Å²	56	43.3 Å²	43.3	58%	0.577	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-4	175.5	0	0	0	0	0	113.9	D166 K170	D166-G168 PolarHBondContact O-N 3.47Å; G168-K170 PolarHBondContact O-N 2.66Å; G168-K170 VanDerWaalsContact O-N 3.16Å
169	L	98.4	Very high	98.3	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.037	28%	0.276	C	S	.	.			trans	51.4	34.5	-175.7	-61	177.2	0	0	0	113.1	A161 D166 S171 F172 M210 T233 Q236 Y237 R240	A161-L169 HydrophobicContact CB-CD2 3.79Å; D166-L169 PolarHBondContact O-N 2.96Å; D166-L169 PolarHBondContact OD1-N 3.28Å; D166-L169 VanDerWaalsContact OD1-N 3.11Å; D166-L169 VanDerWaalsContact OD2-CA 3.28Å; D166-L169 WeakPolarHBondContact OD2-CA 3.44Å; L169-S171 VanDerWaalsContact C-N 3.29Å; L169-S171 PolarHBondContact O-N 3.12Å; L169-F172 HydrophobicContact CB-CB 4.1Å; L169-F172 VanDerWaalsContact O-CB 3.24Å; L169-F172 WeakPolarHBondContact O-CB 3.44Å; L169-F172 PolarHBondContact O-N 3.2Å; L169-F172 VanDerWaalsContact O-N 3.17Å; L169-M210 HydrophobicContact CD2-CE 4.35Å; L169-T233 HydrophobicContact CD1-CG2 4.34Å; L169-T233 HydrophobicContact CD2-CG2 3.87Å; L169-T233 HydrophobicContact CG-CG2 3.92Å; L169-Q236 HydrophobicContact CD1-CB 3.82Å; L169-Y237 HydrophobicContact CD2-CD2 4.28Å; L169-R240 HydrophobicContact CB-CG 4.32Å; L169-R240 HydrophobicContact CD1-CG 3.83Å
170	K	98.1	Very high	98.3	Very high	195 Å²	195	52.2 Å²	52.2	85%	0.848	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-29.9	-179.3	-65.3	-175.1	-178.8	-179.9	0	112.3	D166 G168 F172	D166-K170 VanDerWaalsContact CG-N 3.31Å; D166-K170 PolarHBondContact OD1-N 3.33Å; D166-K170 PolarHBondContact OD2-N 2.04Å; G168-K170 PolarHBondContact O-N 2.66Å; G168-K170 VanDerWaalsContact O-N 3.16Å; K170-F172 VanDerWaalsContact C-N 3.33Å
171	S	97.2	Very high	98.3	Very high	47 Å²	47	53.6 Å²	53.6	33%	0.329	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	9.5	174.7	75.2	0	0	0	0	112.7	T163 D166 L169 A173	T163-S171 VanDerWaalsContact CB-OG 3.23Å; T163-S171 WeakPolarHBondContact CB-OG 3.37Å; T163-S171 WeakPolarHBondContact OG1-CB 3.07Å; T163-S171 PolarHBondContact OG1-OG 3.24Å; D166-S171 PolarHBondContact OD2-N 2.69Å; D166-S171 PolarHBondContact OD2-OG 3.36Å; D166-S171 VanDerWaalsContact OD2-OG 3.05Å; L169-S171 VanDerWaalsContact C-N 3.29Å; L169-S171 PolarHBondContact O-N 3.12Å; S171-A173 PolarHBondContact O-N 3.41Å
172	F	98.8	Very high	98.3	Very high	14 Å²	14	53.6 Å²	53.6	6%	0.061	31%	0.311	C	S	.	.			trans	-59.9	121.5	177.1	-174	-74.9	0	0	0	109.9	Y160 A161 L169 K170 L174 Y237 R240 F241 E244	Y160-F172 VanDerWaalsContact CB-CE2 3.5Å; Y160-F172 HydrophobicContact CD2-CE1 4.32Å; Y160-F172 AromaticContact CD2-CE2 3.92Å; Y160-F172 HydrophobicContact CD2-CE2 3.92Å; Y160-F172 AromaticContact CD2-CZ 3.51Å; Y160-F172 HydrophobicContact CD2-CZ 3.51Å; Y160-F172 HydrophobicContact CE2-CZ 4.48Å; Y160-F172 HydrophobicContact CG-CE1 4.33Å; Y160-F172 HydrophobicContact CG-CE2 4.15Å; Y160-F172 AromaticContact CG-CZ 3.83Å; Y160-F172 HydrophobicContact CG-CZ 3.83Å; Y160-F172 CarbonylContact O-C 3.59Å; Y160-F172 VanDerWaalsContact O-CA 3.23Å; Y160-F172 WeakPolarHBondContact O-CA 3.21Å; A161-F172 HydrophobicContact CB-CD2 4.38Å; L169-F172 HydrophobicContact CB-CB 4.1Å; L169-F172 VanDerWaalsContact O-CB 3.24Å; L169-F172 WeakPolarHBondContact O-CB 3.44Å; L169-F172 PolarHBondContact O-N 3.2Å; L169-F172 VanDerWaalsContact O-N 3.17Å; K170-F172 VanDerWaalsContact C-N 3.33Å; F172-L174 HydrophobicContact CE1-CD2 4.3Å; F172-Y237 AromaticContact CD2-CD2 3.82Å; F172-Y237 HydrophobicContact CD2-CD2 3.82Å; F172-Y237 AromaticContact CD2-CE2 3.99Å; F172-Y237 HydrophobicContact CD2-CE2 3.99Å; F172-Y237 HydrophobicContact CD2-CG 4.38Å; F172-Y237 HydrophobicContact CE2-CD1 4.12Å; F172-Y237 AromaticContact CE2-CD2 3.61Å; F172-Y237 HydrophobicContact CE2-CD2 3.61Å; F172-Y237 HydrophobicContact CE2-CE1 4.15Å; F172-Y237 AromaticContact CE2-CE2 3.66Å; F172-Y237 HydrophobicContact CE2-CE2 3.66Å; F172-Y237 AromaticContact CE2-CG 3.86Å; F172-Y237 HydrophobicContact CE2-CG 3.86Å; F172-Y237 AromaticContact CE2-CZ 3.94Å; F172-R240 HydrophobicContact CD1-CB 3.91Å; F172-R240 HydrophobicContact CD2-CB 3.76Å; F172-R240 HydrophobicContact CD2-CG 4.43Å; F172-R240 HydrophobicContact CE1-CB 3.93Å; F172-R240 HydrophobicContact CE2-CB 3.74Å; F172-R240 HydrophobicContact CG-CB 3.85Å; F172-R240 HydrophobicContact CG-CG 4.43Å; F172-R240 HydrophobicContact CZ-CB 3.84Å; F172-F241 HydrophobicContact CZ-CB 4.15Å; F172-E244 HydrophobicContact CD1-CG 3.87Å; F172-E244 HydrophobicContact CE1-CB 4.3Å; F172-E244 HydrophobicContact CE1-CG 3.62Å
173	A	98.6	Very high	98.4	Very high	56 Å²	56	50.2 Å²	50.2	46%	0.463	29%	0.293	S	S	.	.			trans	-147	137.3	176.2	0	0	0	0	0	110.7	Y160 S171	Y160-A173 WeakPolarHBondContact CA-O 3.43Å; Y160-A173 WeakPolarHBondContact CB-O 3.39Å; Y160-A173 WeakPolarHBondContact CD1-O 3.45Å; Y160-A173 PolarHBondContact O-N 2.84Å; S171-A173 PolarHBondContact O-N 3.41Å
174	L	98.8	Very high	98.4	Very high	22 Å²	22	49.1 Å²	49.1	12%	0.115	29%	0.287	C	S	.	.			trans	-60.9	144	168.2	-63.4	-175	0	0	0	110.2	Y160 F172 D178 V179 I183 E244 Y245 Y248	Y160-L174 HydrophobicContact CD1-CD2 4.34Å; Y160-L174 HydrophobicContact CD2-CD2 4.39Å; Y160-L174 HydrophobicContact CE1-CD2 4.09Å; Y160-L174 HydrophobicContact CE2-CD2 4.13Å; Y160-L174 HydrophobicContact CG-CD2 4.48Å; F172-L174 HydrophobicContact CE1-CD2 4.3Å; L174-D178 HydrophobicContact CB-CB 4.06Å; L174-D178 HydrophobicContact CD1-CB 4.46Å; L174-V179 HydrophobicContact CB-CG1 3.89Å; L174-V179 HydrophobicContact CD1-CG1 4.37Å; L174-I183 HydrophobicContact CD1-CD1 3.85Å; L174-E244 HydrophobicContact CD1-CB 3.81Å; L174-E244 HydrophobicContact CD2-CB 4.06Å; L174-E244 HydrophobicContact CG-CB 3.75Å; L174-E244 HydrophobicContact CG-CG 4.4Å; L174-Y245 HydrophobicContact CD1-CD2 3.86Å; L174-Y245 HydrophobicContact CD1-CE2 3.91Å; L174-Y245 HydrophobicContact CD2-CD2 3.96Å; L174-Y245 HydrophobicContact CD2-CE2 3.73Å; L174-Y245 HydrophobicContact CG-CE2 4.49Å; L174-Y248 HydrophobicContact CD1-CE2 4.18Å
175	A	98.6	Very high	98.4	Very high	8 Å²	8	44.3 Å²	44.3	7%	0.066	26%	0.256	C	S	.	.			trans	-80.1	162.8	-176.9	0	0	0	0	0	111	Y158 Y160 E177 D178 V179	Y158-A175 HydrophobicContact CD2-CB 3.65Å; Y158-A175 HydrophobicContact CE2-CB 3.32Å; Y160-A175 HydrophobicContact CE1-CB 4.33Å; A175-E177 VanDerWaalsContact CB-OE2 3.3Å; A175-E177 WeakPolarHBondContact CB-OE2 3.41Å; A175-E177 PolarHBondContact O-N 3.37Å; A175-E177 VanDerWaalsContact O-N 3.15Å; A175-D178 PolarHBondContact N-OD2 2.84Å; A175-D178 PolarHBondContact O-N 3.34Å; A175-V179 PolarHBondContact O-N 2.64Å; A175-V179 VanDerWaalsContact O-N 3.17Å
176	P	98.7	Very high	98.5	Very high	69 Å²	69	42.4 Å²	42.4	45%	0.448	24%	0.236	S	C	.	.	H	α-helix	trans	-51	-34.2	170.6	-28.5	36.8	0	0	0	113.3	D178 K180	P176-D178 VanDerWaalsContact C-N 3.33Å; P176-D178 PolarHBondContact O-N 2.81Å; P176-K180 HydrophobicContact CB-CD 4.37Å; P176-K180 WeakPolarHBondContact O-CA 3.46Å; P176-K180 WeakPolarHBondContact O-CB 3.27Å; P176-K180 WeakPolarHBondContact O-CG 3.27Å; P176-K180 PolarHBondContact O-N 3.42Å
177	E	98.8	Very high	98.6	Very high	17 Å²	17	44.8 Å²	44.8	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-39	176.5	-66.3	81.1	172.8	0	0	112.5	R156 Y158 A175 M181 K182	R156-E177 IonicContact CZ-OE1 2.88Å; R156-E177 VanDerWaalsContact CZ-OE1 3.3Å; R156-E177 IonicContact CZ-OE2 2.94Å; R156-E177 IonicContact NE-OE1 3.1Å; R156-E177 PolarHBondContact NE-OE1 2.94Å; R156-E177 VanDerWaalsContact NH2-CD 3.31Å; R156-E177 IonicContact NH2-OE1 2.74Å; R156-E177 PolarHBondContact NH2-OE1 2.85Å; R156-E177 IonicContact NH2-OE2 3.27Å; R156-E177 PolarHBondContact NH2-OE2 2.76Å; Y158-E177 HydrophobicContact CE1-CG 4.08Å; Y158-E177 WeakPolarHBondContact OH-CB 3.48Å; A175-E177 VanDerWaalsContact CB-OE2 3.3Å; A175-E177 WeakPolarHBondContact CB-OE2 3.41Å; A175-E177 PolarHBondContact O-N 3.37Å; A175-E177 VanDerWaalsContact O-N 3.15Å; E177-M181 HydrophobicContact CB-CE 3.74Å; E177-M181 HydrophobicContact CG-CE 3.66Å; E177-M181 VanDerWaalsContact O-CB 3.3Å; E177-M181 WeakPolarHBondContact O-CB 3.44Å; E177-M181 PolarHBondContact O-N 2.83Å; E177-K182 PolarHBondContact O-N 3.05Å
178	D	98.9	Very high	98.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.	I	π-helix	trans	-70.9	-57.5	174.1	-56	-83.1	0	0	0	111.3	Y160 L174 A175 P176 K180 K182 I183 Y245	Y160-D178 WeakPolarHBondContact CE1-OD2 3.41Å; Y160-D178 VanDerWaalsContact OH-CG 3.24Å; Y160-D178 PolarHBondContact OH-OD1 3.09Å; Y160-D178 PolarHBondContact OH-OD2 3.13Å; L174-D178 HydrophobicContact CB-CB 4.06Å; L174-D178 HydrophobicContact CD1-CB 4.46Å; A175-D178 PolarHBondContact N-OD2 2.84Å; A175-D178 PolarHBondContact O-N 3.34Å; P176-D178 VanDerWaalsContact C-N 3.33Å; P176-D178 PolarHBondContact O-N 2.81Å; D178-K180 PolarHBondContact O-N 3.03Å; D178-K182 PolarHBondContact O-N 2.77Å; D178-K182 IonicContact OD1-NZ 2.71Å; D178-K182 PolarHBondContact OD1-NZ 3.3Å; D178-I183 HydrophobicContact CB-CD1 4.28Å; D178-I183 WeakPolarHBondContact O-CB 3.17Å; D178-I183 WeakPolarHBondContact O-CG1 3.38Å; D178-I183 PolarHBondContact O-N 2.93Å; D178-Y245 PolarHBondContact OD1-OH 2.94Å
179	V	98.8	Very high	98.6	Very high	50 Å²	50	41.1 Å²	41.1	30%	0.303	22%	0.216	S	C	.	.	I	π-helix	trans	-76.1	-25.6	-166.6	-57	0	0	0	0	113.3	L174 A175 I183	L174-V179 HydrophobicContact CB-CG1 3.89Å; L174-V179 HydrophobicContact CD1-CG1 4.37Å; A175-V179 PolarHBondContact O-N 2.64Å; A175-V179 VanDerWaalsContact O-N 3.17Å; V179-I183 HydrophobicContact CG1-CD1 4.49Å
180	K	98.7	Very high	98.6	Very high	153 Å²	153	42.9 Å²	42.9	67%	0.665	23%	0.225	S	C	*	.	I	π-helix	trans	-101.3	-19.4	179.9	-54.4	-174.4	-179.8	177.9	0	113.5	P176 D178	P176-K180 HydrophobicContact CB-CD 4.37Å; P176-K180 WeakPolarHBondContact O-CA 3.46Å; P176-K180 WeakPolarHBondContact O-CB 3.27Å; P176-K180 WeakPolarHBondContact O-CG 3.27Å; P176-K180 PolarHBondContact O-N 3.42Å; D178-K180 PolarHBondContact O-N 3.03Å
181	M	98.8	Very high	98.5	Very high	34 Å²	34	37.8 Å²	37.8	17%	0.167	22%	0.219	C	C	.	.	I	π-helix	trans	-124.3	-68.2	-175.4	-47	-168.3	-72.8	0	0	113.3	A115 I116 L119 E177 P184 L185	A115-M181 HydrophobicContact CB-CB 3.77Å; I116-M181 HydrophobicContact CD1-CE 4.39Å; I116-M181 HydrophobicContact CG1-CE 3.93Å; I116-M181 HydrophobicContact CG1-SD 3.76Å; L119-M181 HydrophobicContact CD1-CB 3.61Å; L119-M181 HydrophobicContact CD1-CG 3.66Å; L119-M181 HydrophobicContact CD1-SD 4.21Å; E177-M181 HydrophobicContact CB-CE 3.74Å; E177-M181 HydrophobicContact CG-CE 3.66Å; E177-M181 VanDerWaalsContact O-CB 3.3Å; E177-M181 WeakPolarHBondContact O-CB 3.44Å; E177-M181 PolarHBondContact O-N 2.83Å; M181-P184 WeakPolarHBondContact O-CD 3.49Å; M181-L185 WeakPolarHBondContact O-CB 3.33Å; M181-L185 VanDerWaalsContact O-CG 3.3Å; M181-L185 WeakPolarHBondContact O-CG 3.43Å; M181-L185 PolarHBondContact O-N 3.28Å; M181-L185 VanDerWaalsContact O-N 3.17Å
182	K	98.9	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	I	π-helix	trans	-63.5	-50.8	-171.3	-64.9	158.1	58.9	-171.7	0	112.1	M110 D112 A115 P147 E177 D178 L185 L186	M110-K182 HydrophobicContact CG-CB 4.2Å; M110-K182 HydrophobicContact CG-CG 4.16Å; D112-K182 WeakPolarHBondContact OD1-CD 3.49Å; A115-K182 HydrophobicContact CB-CG 4.29Å; P147-K182 PolarHBondContact O-NZ 2.98Å; E177-K182 PolarHBondContact O-N 3.05Å; D178-K182 PolarHBondContact O-N 2.77Å; D178-K182 IonicContact OD1-NZ 2.71Å; D178-K182 PolarHBondContact OD1-NZ 3.3Å; K182-L185 PolarHBondContact O-N 2.98Å; K182-L186 WeakPolarHBondContact O-CB 3.33Å; K182-L186 WeakPolarHBondContact O-CG 3.24Å; K182-L186 PolarHBondContact O-N 3.29Å
183	I	98.9	Very high	98.3	Very high	3 Å²	3	37 Å²	37	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-50.7	-177.6	-67.6	174.7	0	0	0	111.7	L174 D178 V179 L185 L186 L187 Y245 Y248 L250	L174-I183 HydrophobicContact CD1-CD1 3.85Å; D178-I183 HydrophobicContact CB-CD1 4.28Å; D178-I183 WeakPolarHBondContact O-CB 3.17Å; D178-I183 WeakPolarHBondContact O-CG1 3.38Å; D178-I183 PolarHBondContact O-N 2.93Å; V179-I183 HydrophobicContact CG1-CD1 4.49Å; I183-L185 VanDerWaalsContact C-N 3.3Å; I183-L185 PolarHBondContact O-N 2.94Å; I183-L186 PolarHBondContact O-N 3.02Å; I183-L187 HydrophobicContact CG2-CD1 4.02Å; I183-L187 WeakPolarHBondContact O-CG 3.34Å; I183-L187 PolarHBondContact O-N 3.47Å; I183-Y245 HydrophobicContact CD1-CD1 4.34Å; I183-Y245 HydrophobicContact CD1-CE1 4.14Å; I183-Y245 HydrophobicContact CD1-CE2 4.43Å; I183-Y245 HydrophobicContact CG1-CD1 4.13Å; I183-Y245 HydrophobicContact CG1-CE1 3.66Å; I183-Y248 HydrophobicContact CD1-CD2 3.71Å; I183-Y248 HydrophobicContact CD1-CE2 3.92Å; I183-Y248 HydrophobicContact CD1-CG 4.07Å; I183-Y248 HydrophobicContact CG2-CD1 3.82Å; I183-Y248 HydrophobicContact CG2-CD2 4.47Å; I183-Y248 HydrophobicContact CG2-CG 3.75Å; I183-L250 HydrophobicContact CB-CD1 4.23Å; I183-L250 HydrophobicContact CG1-CD1 4.09Å; I183-L250 HydrophobicContact CG2-CD1 3.89Å
184	P	98.8	Very high	97.9	Very high	51 Å²	51	37.7 Å²	37.7	33%	0.331	21%	0.213	S	C	.	.	H	α-helix	trans	-56.8	-40.1	175.3	-28.1	35.7	0	0	0	114	M181 R188	M181-P184 WeakPolarHBondContact O-CD 3.49Å; P184-R188 WeakPolarHBondContact O-CG 3.32Å; P184-R188 PolarHBondContact O-N 3.14Å; P184-R188 VanDerWaalsContact O-N 3.12Å
185	L	98.9	Very high	97.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-69.3	-39.9	177.7	-70.8	173.7	0	0	0	112.4	M110 A115 I118 L119 L130 M181 K182 I183 L187 R188 A189	M110-L185 HydrophobicContact CE-CB 3.85Å; M110-L185 HydrophobicContact CE-CD1 4.44Å; M110-L185 HydrophobicContact SD-CB 4.08Å; M110-L185 HydrophobicContact SD-CD1 3.84Å; A115-L185 HydrophobicContact CB-CD1 3.67Å; I118-L185 HydrophobicContact CB-CD1 4.28Å; I118-L185 HydrophobicContact CD1-CD1 4.41Å; I118-L185 HydrophobicContact CG2-CD1 4.34Å; I118-L185 HydrophobicContact CG2-CD2 3.73Å; L119-L185 HydrophobicContact CD1-CD1 4.32Å; L119-L185 HydrophobicContact CD2-CD2 4.06Å; L119-L185 HydrophobicContact CD2-CG 4.41Å; L119-L185 HydrophobicContact CG-CD1 4.14Å; L119-L185 HydrophobicContact CG-CD2 4.43Å; L119-L185 HydrophobicContact CG-CG 4.47Å; L130-L185 HydrophobicContact CD1-CD2 4.1Å; M181-L185 WeakPolarHBondContact O-CB 3.33Å; M181-L185 VanDerWaalsContact O-CG 3.3Å; M181-L185 WeakPolarHBondContact O-CG 3.43Å; M181-L185 PolarHBondContact O-N 3.28Å; M181-L185 VanDerWaalsContact O-N 3.17Å; K182-L185 PolarHBondContact O-N 2.98Å; I183-L185 VanDerWaalsContact C-N 3.3Å; I183-L185 PolarHBondContact O-N 2.94Å; L185-L187 VanDerWaalsContact C-N 3.35Å; L185-R188 PolarHBondContact O-N 3.3Å; L185-A189 WeakPolarHBondContact O-CB 3.43Å; L185-A189 PolarHBondContact O-N 3.29Å
186	L	98.8	Very high	97	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-41.6	175.5	-72.5	168.9	0	0	0	111.7	M110 V144 V146 K182 I183 A189 Q190 L199 Y245 L250	M110-L186 HydrophobicContact CB-CD2 4.21Å; M110-L186 HydrophobicContact CG-CD2 4.36Å; M110-L186 HydrophobicContact CG-CG 4.33Å; V144-L186 HydrophobicContact CB-CD2 4.13Å; V144-L186 HydrophobicContact CG1-CD2 3.6Å; V144-L186 HydrophobicContact CG2-CD2 4.48Å; V146-L186 HydrophobicContact CG1-CD1 4.5Å; V146-L186 HydrophobicContact CG2-CD1 3.89Å; V146-L186 HydrophobicContact CG2-CD2 4.27Å; K182-L186 WeakPolarHBondContact O-CB 3.33Å; K182-L186 WeakPolarHBondContact O-CG 3.24Å; K182-L186 PolarHBondContact O-N 3.29Å; I183-L186 PolarHBondContact O-N 3.02Å; L186-A189 PolarHBondContact O-N 3.02Å; L186-Q190 WeakPolarHBondContact O-CB 3.48Å; L186-Q190 WeakPolarHBondContact O-CG 3.46Å; L186-Q190 PolarHBondContact O-N 3.05Å; L186-L199 HydrophobicContact CD2-CD2 4Å; L186-Y245 HydrophobicContact CD1-CE1 4.2Å; L186-L250 HydrophobicContact CB-CD1 3.93Å; L186-L250 HydrophobicContact CB-CD2 4.25Å; L186-L250 HydrophobicContact CD1-CD1 4Å
187	L	98.7	Very high	97	Very high	68 Å²	68	44.3 Å²	44.3	36%	0.356	24%	0.241	S	C	.	.	H	α-helix	trans	-64.2	-40.5	175.9	-70.6	170	0	0	0	111.8	I183 L185 Q190 A191 L250	I183-L187 HydrophobicContact CG2-CD1 4.02Å; I183-L187 WeakPolarHBondContact O-CG 3.34Å; I183-L187 PolarHBondContact O-N 3.47Å; L185-L187 VanDerWaalsContact C-N 3.35Å; L187-Q190 PolarHBondContact O-N 3.31Å; L187-A191 WeakPolarHBondContact O-CB 3.48Å; L187-A191 PolarHBondContact O-N 2.59Å; L187-L250 HydrophobicContact CD2-CD2 3.77Å; L187-L250 HydrophobicContact CD2-CG 4.15Å; L187-L250 HydrophobicContact CG-CD2 4.26Å; L187-L250 HydrophobicContact CG-CG 4.5Å
188	R	98.6	Very high	96.9	Very high	68 Å²	68	44.2 Å²	44.2	26%	0.257	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-43.3	173.5	-71	173.4	64.9	-170.2	2.2	111.8	E127 L130 P184 L185 A191 L192	E127-R188 IonicContact OE2-NH2 3.58Å; E127-R188 PolarHBondContact OE2-NH2 2.98Å; L130-R188 HydrophobicContact CD1-CB 3.82Å; P184-R188 WeakPolarHBondContact O-CG 3.32Å; P184-R188 PolarHBondContact O-N 3.14Å; P184-R188 VanDerWaalsContact O-N 3.12Å; L185-R188 PolarHBondContact O-N 3.3Å; R188-A191 PolarHBondContact O-N 2.78Å; R188-L192 WeakPolarHBondContact O-CG 3.48Å; R188-L192 PolarHBondContact O-N 3.05Å; R188-L192 VanDerWaalsContact O-N 3.11Å
189	A	98.3	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-44.5	176	0	0	0	0	0	111.7	F134 L185 L186 A191 L192 S193 L197	F134-A189 HydrophobicContact CD1-CB 4.18Å; F134-A189 HydrophobicContact CD2-CB 3.45Å; F134-A189 VanDerWaalsContact CD2-CB 3.45Å; F134-A189 HydrophobicContact CE1-CB 4.25Å; F134-A189 HydrophobicContact CE2-CB 3.54Å; F134-A189 HydrophobicContact CG-CB 3.8Å; F134-A189 HydrophobicContact CZ-CB 3.95Å; L185-A189 WeakPolarHBondContact O-CB 3.43Å; L185-A189 PolarHBondContact O-N 3.29Å; L186-A189 PolarHBondContact O-N 3.02Å; A189-A191 PolarHBondContact O-N 3.06Å; A189-L192 PolarHBondContact O-N 3.22Å; A189-S193 WeakPolarHBondContact O-CB 3.3Å; A189-S193 PolarHBondContact O-N 3.02Å; A189-L197 HydrophobicContact CB-CD1 3.74Å
190	Q	97.2	Very high	97	Very high	45 Å²	45	41.8 Å²	41.8	21%	0.21	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-41.7	174.5	-78.7	-175.5	-22.8	0	0	112.3	L186 L187 L192 S193 L197 L250	L186-Q190 WeakPolarHBondContact O-CB 3.48Å; L186-Q190 WeakPolarHBondContact O-CG 3.46Å; L186-Q190 PolarHBondContact O-N 3.05Å; L187-Q190 PolarHBondContact O-N 3.31Å; Q190-L192 VanDerWaalsContact C-N 3.25Å; Q190-L192 PolarHBondContact O-N 2.87Å; Q190-S193 PolarHBondContact O-N 2.95Å; Q190-L197 HydrophobicContact CG-CB 4.12Å; Q190-L197 HydrophobicContact CG-CD1 3.84Å; Q190-L197 HydrophobicContact CG-CG 3.95Å; Q190-L250 VanDerWaalsContact OE1-CD2 3.24Å
191	A	97.6	Very high	97	Very high	88 Å²	88	34.5 Å²	34.5	73%	0.727	20%	0.196	S	C	*	.	H	α-helix	trans	-66.4	-27.2	178.9	0	0	0	0	0	113.4	L187 R188 A189	L187-A191 WeakPolarHBondContact O-CB 3.48Å; L187-A191 PolarHBondContact O-N 2.59Å; R188-A191 PolarHBondContact O-N 2.78Å; A189-A191 PolarHBondContact O-N 3.06Å
192	L	96.7	Very high	97	Very high	28 Å²	28	32.9 Å²	32.9	15%	0.147	19%	0.188	C	C	.	.	H	α-helix	trans	-83.8	-25.8	175.3	-69.2	171.6	0	0	0	112.8	L130 R131 F134 R188 A189 Q190	L130-L192 HydrophobicContact CB-CD1 3.61Å; R131-L192 HydrophobicContact CG-CD1 4Å; R131-L192 HydrophobicContact CG-CD2 3.83Å; F134-L192 HydrophobicContact CB-CB 4.29Å; R188-L192 WeakPolarHBondContact O-CG 3.48Å; R188-L192 PolarHBondContact O-N 3.05Å; R188-L192 VanDerWaalsContact O-N 3.11Å; A189-L192 PolarHBondContact O-N 3.22Å; Q190-L192 VanDerWaalsContact C-N 3.25Å; Q190-L192 PolarHBondContact O-N 2.87Å
193	S	95.3	Very high	97	Very high	17 Å²	17	33 Å²	33	12%	0.119	19%	0.189	C	C	.	.	S	Bend	trans	-75.4	137.7	-175.4	-167	0	0	0	0	111.9	F134 A189 Q190 R195 L197	F134-S193 WeakPolarHBondContact O-CA 3.48Å; A189-S193 WeakPolarHBondContact O-CB 3.3Å; A189-S193 PolarHBondContact O-N 3.02Å; Q190-S193 PolarHBondContact O-N 2.95Å; S193-R195 VanDerWaalsContact CB-O 3.29Å; S193-R195 WeakPolarHBondContact CB-O 3.39Å; S193-R195 PolarHBondContact O-N 3.36Å; S193-R195 PolarHBondContact OG-O 3.1Å; S193-L197 WeakPolarHBondContact OG-CD2 3.48Å
194	P	89	Confident	97	Very high	70 Å²	70	33 Å²	33	46%	0.455	19%	0.189	S	C	.	.	S	Bend	trans	-70.2	-13.7	177.2	30.7	-38.2	0	0	0	113.8	K136	K136-P194 HydrophobicContact CD-CB 4.22Å; K136-P194 HydrophobicContact CG-CB 3.84Å; K136-P194 HydrophobicContact CG-CG 3.98Å
195	R	87.3	Confident	97	Very high	113 Å²	113	31 Å²	31	43%	0.426	18%	0.176	S	C	.	.	S	Bend	trans	-137.7	156.6	178.3	-59.1	-175.7	-165.7	-171.2	5.2	108.9	S193 L197	S193-R195 VanDerWaalsContact CB-O 3.29Å; S193-R195 WeakPolarHBondContact CB-O 3.39Å; S193-R195 PolarHBondContact O-N 3.36Å; S193-R195 PolarHBondContact OG-O 3.1Å; R195-L197 PolarHBondContact O-N 3.02Å
196	P	91.6	Very high	96.9	Very high	116 Å²	116	30.9 Å²	30.9	75%	0.753	18%	0.175	S	C	*	.			trans	-55.3	133.3	172.9	-25.1	34.9	0	0	0	111.6
197	L	97.8	Very high	96.9	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.047	18%	0.175	C	C	.	.			trans	-70.1	136.6	175.9	-61.5	179	0	0	0	110.5	F134 Y141 V144 A189 Q190 S193 R195 L199	F134-L197 HydrophobicContact CD1-CD1 4.09Å; F134-L197 HydrophobicContact CD1-CD2 3.93Å; F134-L197 HydrophobicContact CE1-CD1 4.15Å; F134-L197 HydrophobicContact CE1-CD2 4.37Å; Y141-L197 VanDerWaalsContact O-CD2 3.32Å; Y141-L197 WeakPolarHBondContact O-CD2 3.49Å; V144-L197 HydrophobicContact CG2-CD1 3.96Å; A189-L197 HydrophobicContact CB-CD1 3.74Å; Q190-L197 HydrophobicContact CG-CB 4.12Å; Q190-L197 HydrophobicContact CG-CD1 3.84Å; Q190-L197 HydrophobicContact CG-CG 3.95Å; S193-L197 WeakPolarHBondContact OG-CD2 3.48Å; R195-L197 PolarHBondContact O-N 3.02Å; L197-L199 HydrophobicContact CB-CD2 4.17Å; L197-L199 PolarHBondContact O-N 3.3Å
198	S	98.6	Very high	96.9	Very high	14 Å²	14	29.8 Å²	29.8	10%	0.098	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	102.9	169.7	-66.7	0	0	0	0	109.3	K104 S142 V143 V144	K104-S198 VanDerWaalsContact CE-OG 3.22Å; K104-S198 WeakPolarHBondContact CE-OG 3.3Å; K104-S198 PolarHBondContact NZ-OG 3.3Å; S142-S198 PolarHBondContact O-N 2.94Å; V143-S198 WeakPolarHBondContact CA-O 3.37Å; V144-S198 PolarHBondContact N-O 2.96Å
199	L	98.9	Very high	96.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.9	177.3	-51.9	-177.5	0	0	0	110.7	V144 L186 L197 L250 F252 W253 A254	V144-L199 HydrophobicContact CB-CD2 3.91Å; V144-L199 WeakPolarHBondContact O-CA 3.34Å; L186-L199 HydrophobicContact CD2-CD2 4Å; L197-L199 HydrophobicContact CB-CD2 4.17Å; L197-L199 PolarHBondContact O-N 3.3Å; L199-L250 HydrophobicContact CD1-CB 3.98Å; L199-L250 HydrophobicContact CD1-CD2 4.16Å; L199-F252 HydrophobicContact CB-CD1 3.65Å; L199-F252 HydrophobicContact CB-CE1 3.77Å; L199-F252 HydrophobicContact CB-CG 4.13Å; L199-F252 HydrophobicContact CB-CZ 4.31Å; L199-F252 HydrophobicContact CD1-CZ 4.4Å; L199-W253 PolarHBondContact O-N 3.25Å; L199-A254 PolarHBondContact O-N 3.26Å
200	L	98.9	Very high	96.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.3	176.2	170.6	67.6	0	0	0	109.1	V144 R145 V146 A254 T256 L304 F362 T364	V144-L200 PolarHBondContact O-N 3.16Å; R145-L200 CarbonylContact C-O 3.44Å; R145-L200 VanDerWaalsContact CA-O 3.31Å; R145-L200 WeakPolarHBondContact CA-O 3.49Å; R145-L200 HydrophobicContact CB-CD2 4.45Å; R145-L200 HydrophobicContact CG-CD2 4.13Å; R145-L200 HydrophobicContact CG-CG 4.31Å; V146-L200 PolarHBondContact N-O 3.26Å; L200-A254 CarbonylContact C-O 3.52Å; L200-A254 WeakPolarHBondContact CA-O 3.35Å; L200-A254 HydrophobicContact CD1-CB 3.59Å; L200-T256 HydrophobicContact CD1-CG2 3.79Å; L200-T256 HydrophobicContact CD2-CG2 4.46Å; L200-T256 HydrophobicContact CG-CG2 4.39Å; L200-L304 HydrophobicContact CD1-CD1 3.99Å; L200-F362 HydrophobicContact CD2-CE1 4.49Å; L200-T364 HydrophobicContact CD2-CG2 3.52Å
201	G	98.9	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.8	177.5	0	0	0	0	0	112.5	V146 A254 L255 T256	V146-G201 WeakPolarHBondContact O-CA 3.36Å; G201-A254 PolarHBondContact N-O 3.07Å; G201-L255 CarbonylContact O-C 3.32Å; G201-L255 VanDerWaalsContact O-CA 3.27Å; G201-L255 WeakPolarHBondContact O-CA 3.14Å; G201-T256 PolarHBondContact O-N 3.35Å
202	S	98.9	Very high	97.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135	175.1	-57.4	0	0	0	0	110.3	R145 V146 M148 W204 T256 D307	R145-S202 VanDerWaalsContact CZ-CB 3.45Å; R145-S202 VanDerWaalsContact CZ-OG 3.31Å; R145-S202 PolarHBondContact NE-OG 2.94Å; R145-S202 PolarHBondContact NH2-OG 3.1Å; V146-S202 PolarHBondContact O-N 3.11Å; M148-S202 PolarHBondContact N-O 3.27Å; S202-W204 WeakPolarHBondContact O-CZ3 3.47Å; S202-T256 WeakPolarHBondContact CB-OG1 3.17Å; S202-T256 VanDerWaalsContact OG-CG2 3.24Å; S202-T256 WeakPolarHBondContact OG-CG2 2.97Å; S202-T256 PolarHBondContact OG-OG1 3.19Å; S202-D307 PolarHBondContact OG-OD2 3.06Å; S202-D307 VanDerWaalsContact OG-OD2 3.07Å
203	A	98.8	Very high	97.1	Very high	3 Å²	3	26.7 Å²	26.7	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.1	175.8	0	0	0	0	0	111.5	M148 W234 Y238 G258 N259	M148-A203 HydrophobicContact CB-CB 3.87Å; M148-A203 HydrophobicContact CE-CB 4.41Å; M148-A203 HydrophobicContact CG-CB 4.46Å; M148-A203 HydrophobicContact SD-CB 4Å; A203-W234 HydrophobicContact CB-CH2 3.75Å; A203-W234 HydrophobicContact CB-CZ2 3.73Å; A203-Y238 HydrophobicContact CB-CE2 4.32Å; A203-Y238 WeakPolarHBondContact CB-OH 3.42Å; A203-G258 WeakPolarHBondContact O-CA 3.37Å; A203-N259 PolarHBondContact O-N 2.98Å
204	W	98.8	Very high	97.3	Very high	2 Å²	2	28 Å²	28	1%	0.008	17%	0.167	C	C	.	.	S	Bend	trans	-85.1	-35.9	175.7	-84.2	-112.3	0	0	0	112.7	P147 C151 S202 N259 Q272 A273 L274 W406	P147-W204 HydrophobicContact CB-CE3 4.06Å; P147-W204 HydrophobicContact CB-CH2 3.68Å; P147-W204 HydrophobicContact CB-CZ3 3.35Å; P147-W204 HydrophobicContact CG-CH2 3.55Å; P147-W204 HydrophobicContact CG-CZ3 3.74Å; C151-W204 HydrophobicContact CB-CD2 3.5Å; C151-W204 VanDerWaalsContact CB-CD2 3.5Å; C151-W204 HydrophobicContact CB-CE3 4.06Å; C151-W204 HydrophobicContact CB-CG 3.88Å; C151-W204 HydrophobicContact CB-CH2 3.91Å; C151-W204 HydrophobicContact CB-CZ2 3.26Å; C151-W204 HydrophobicContact CB-CZ3 4.32Å; S202-W204 WeakPolarHBondContact O-CZ3 3.47Å; W204-N259 HydrophobicContact CD2-CB 3.82Å; W204-N259 HydrophobicContact CE3-CB 4.06Å; W204-N259 HydrophobicContact CG-CB 4.04Å; W204-N259 PolarHBondContact NE1-ND2 3.1Å; W204-Q272 HydrophobicContact CB-CB 3.65Å; W204-Q272 HydrophobicContact CG-CB 4.38Å; W204-A273 CarbonylContact O-C 3.58Å; W204-A273 WeakPolarHBondContact O-CA 3.1Å; W204-A273 PolarHBondContact O-N 2.68Å; W204-L274 PolarHBondContact O-N 3.34Å; W204-L274 VanDerWaalsContact O-N 3.07Å; W204-W406 AromaticContact CH2-CH2 3.38Å; W204-W406 HydrophobicContact CH2-CH2 3.38Å; W204-W406 AromaticContact CH2-CZ2 3.96Å; W204-W406 HydrophobicContact CH2-CZ2 3.96Å; W204-W406 HydrophobicContact CH2-CZ3 4.21Å; W204-W406 AromaticContact CZ2-CH2 3.09Å; W204-W406 HydrophobicContact CZ2-CH2 3.09Å; W204-W406 AromaticContact CZ2-CZ2 3.28Å; W204-W406 HydrophobicContact CZ2-CZ2 3.28Å; W204-W406 HydrophobicContact CZ2-CZ3 4.28Å
205	S	98.6	Very high	97.7	Very high	8 Å²	8	26.3 Å²	26.3	6%	0.056	16%	0.159	C	C	.	.			trans	-150	145.7	-178.8	-176.7	0	0	0	0	111.9	K211 L216 W234	S205-K211 WeakPolarHBondContact OG-CD 3.4Å; S205-K211 PolarHBondContact OG-NZ 3.3Å; S205-L216 VanDerWaalsContact OG-CD2 3.3Å; S205-L216 WeakPolarHBondContact OG-CD2 3.35Å; S205-W234 WeakPolarHBondContact O-CH2 3.28Å
206	A	98.6	Very high	98.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.142	C	C	.	.			trans	-72.1	160.7	163	0	0	0	0	0	111.3	M210 K211 L216 L222 W234 L274	A206-M210 HydrophobicContact CB-CB 4.4Å; A206-K211 HydrophobicContact CB-CD 4.5Å; A206-K211 HydrophobicContact CB-CG 4.21Å; A206-K211 WeakPolarHBondContact O-CD 3.29Å; A206-L216 WeakPolarHBondContact O-CD2 3.41Å; A206-L222 HydrophobicContact CB-CD2 3.66Å; A206-W234 HydrophobicContact CB-CD2 3.91Å; A206-W234 HydrophobicContact CB-CE3 3.73Å; A206-W234 HydrophobicContact CB-CH2 4.06Å; A206-W234 HydrophobicContact CB-CZ2 4.17Å; A206-W234 HydrophobicContact CB-CZ3 3.84Å; A206-L274 HydrophobicContact CB-CD1 4.22Å; A206-L274 HydrophobicContact CB-CD2 3.88Å
207	P	98.7	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.121	C	C	.	.			trans	-50.5	140.1	169	-26	33.1	0	0	0	112.1	T159 A161 W209 M210 Y237	T159-P207 HydrophobicContact CG2-CG 4.46Å; A161-P207 HydrophobicContact CB-CG 4.19Å; A161-P207 WeakPolarHBondContact O-CB 3.49Å; P207-W209 HydrophobicContact CB-CG 4.45Å; P207-W209 PolarHBondContact O-N 2.79Å; P207-W209 VanDerWaalsContact O-N 3.1Å; P207-M210 HydrophobicContact CB-CG 4.49Å; P207-M210 HydrophobicContact CG-CE 4.08Å; P207-M210 HydrophobicContact CG-SD 4.36Å; P207-M210 WeakPolarHBondContact O-CB 3.37Å; P207-M210 PolarHBondContact O-N 3.19Å; P207-Y237 HydrophobicContact CG-CD2 4.35Å; P207-Y237 HydrophobicContact CG-CE2 4.08Å
208	T	98.6	Very high	98.5	Very high	45 Å²	45	19 Å²	19	28%	0.276	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-54.8	-36.6	-172.8	54.9	0	0	0	0	113.4	M210 K211 G214 L216	T208-M210 PolarHBondContact O-N 3.08Å; T208-K211 PolarHBondContact O-N 3.05Å; T208-G214 WeakPolarHBondContact CB-O 3.32Å; T208-G214 WeakPolarHBondContact O-CA 3.49Å; T208-L216 HydrophobicContact CG2-CD2 3.77Å; T208-L216 HydrophobicContact CG2-CG 3.63Å
209	W	98.4	Very high	98.5	Very high	23 Å²	23	23 Å²	23	9%	0.087	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-67.6	-19.2	-179.1	61.5	-96.1	0	0	0	113.5	A161 T163 P164 D166 Y167 P207 K223 T233	A161-W209 PolarHBondContact O-NE1 2.92Å; T163-W209 PolarHBondContact O-NE1 3.44Å; T163-W209 VanDerWaalsContact O-NE1 3.14Å; P164-W209 HydrophobicContact CB-CB 4.15Å; P164-W209 HydrophobicContact CB-CG 4.42Å; D166-W209 VanDerWaalsContact C-CH2 3.45Å; D166-W209 HydrophobicContact CB-CZ2 4.26Å; D166-W209 WeakPolarHBondContact O-CH2 3.34Å; Y167-W209 HydrophobicContact CD1-CH2 4.19Å; Y167-W209 AromaticContact CD1-CZ3 3.84Å; Y167-W209 HydrophobicContact CD1-CZ3 3.84Å; Y167-W209 HydrophobicContact CD2-CZ3 4.46Å; Y167-W209 HydrophobicContact CE1-CH2 4.45Å; Y167-W209 AromaticContact CE1-CZ3 3.66Å; Y167-W209 HydrophobicContact CE1-CZ3 3.66Å; Y167-W209 HydrophobicContact CE2-CZ3 4.27Å; Y167-W209 HydrophobicContact CG-CH2 4.38Å; Y167-W209 HydrophobicContact CG-CZ3 4.25Å; Y167-W209 AromaticContact CZ-CZ3 3.87Å; P207-W209 HydrophobicContact CB-CG 4.45Å; P207-W209 PolarHBondContact O-N 2.79Å; P207-W209 VanDerWaalsContact O-N 3.1Å; W209-K223 WeakPolarHBondContact O-CE 3.29Å; W209-K223 PolarHBondContact O-NZ 3.36Å; W209-T233 HydrophobicContact CH2-CG2 4.27Å
210	M	98.6	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-85.7	-13.8	172.9	-60.4	-173.8	-170.6	0	0	113.4	L169 A206 P207 T208 L222 K223 T233 W234	L169-M210 HydrophobicContact CD2-CE 4.35Å; A206-M210 HydrophobicContact CB-CB 4.4Å; P207-M210 HydrophobicContact CB-CG 4.49Å; P207-M210 HydrophobicContact CG-CE 4.08Å; P207-M210 HydrophobicContact CG-SD 4.36Å; P207-M210 WeakPolarHBondContact O-CB 3.37Å; P207-M210 PolarHBondContact O-N 3.19Å; T208-M210 PolarHBondContact O-N 3.08Å; M210-L222 HydrophobicContact CB-CD2 4.09Å; M210-K223 WeakPolarHBondContact O-CG 3.13Å; M210-K223 PolarHBondContact O-N 2.93Å; M210-T233 HydrophobicContact CE-CG2 3.37Å; M210-W234 HydrophobicContact SD-CB 4.48Å; M210-W234 HydrophobicContact SD-CE3 4.47Å
211	K	98.7	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-97.4	143.1	-171.1	-64.5	-178.1	65.5	-176.1	0	113.2	S205 A206 T208 N213 G214 A215 L216 S221 K223 A273 L274	S205-K211 WeakPolarHBondContact OG-CD 3.4Å; S205-K211 PolarHBondContact OG-NZ 3.3Å; A206-K211 HydrophobicContact CB-CD 4.5Å; A206-K211 HydrophobicContact CB-CG 4.21Å; A206-K211 WeakPolarHBondContact O-CD 3.29Å; T208-K211 PolarHBondContact O-N 3.05Å; K211-N213 PolarHBondContact O-N 3.24Å; K211-G214 PolarHBondContact O-N 3.37Å; K211-A215 WeakPolarHBondContact CD-O 3.36Å; K211-A215 WeakPolarHBondContact CE-O 3.38Å; K211-A215 PolarHBondContact NZ-O 3.5Å; K211-L216 PolarHBondContact NZ-O 3.04Å; K211-S221 CarbonylContact C-O 3.58Å; K211-S221 WeakPolarHBondContact CA-O 3.38Å; K211-K223 WeakPolarHBondContact O-CE 3.4Å; K211-A273 WeakPolarHBondContact CE-O 3.43Å; K211-A273 PolarHBondContact NZ-O 3.25Å; K211-L274 HydrophobicContact CD-CD1 4.12Å; K211-L274 HydrophobicContact CG-CD1 4.01Å
212	T	98.6	Very high	98.4	Very high	82 Å²	82	24.4 Å²	24.4	50%	0.503	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-33.1	-178.5	48.6	0	0	0	0	113.2	S221 K223	T212-S221 PolarHBondContact N-O 3.15Å; T212-S221 PolarHBondContact OG1-N 2.84Å; T212-S221 PolarHBondContact OG1-O 3.25Å; T212-K223 HydrophobicContact CG2-CG 4.15Å
213	N	98.3	Very high	98.4	Very high	59 Å²	59	28 Å²	28	32%	0.316	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-6.6	178.6	71.5	-13.6	0	0	0	114.6	K211 A215 I217 K219	K211-N213 PolarHBondContact O-N 3.24Å; N213-A215 PolarHBondContact O-N 3.42Å; N213-A215 PolarHBondContact OD1-N 2.61Å; N213-A215 VanDerWaalsContact OD1-N 3.08Å; N213-A215 PolarHBondContact OD1-O 3.5Å; N213-A215 VanDerWaalsContact OD1-O 3.06Å; N213-I217 PolarHBondContact ND2-O 3.38Å; N213-K219 VanDerWaalsContact CB-O 3.29Å; N213-K219 WeakPolarHBondContact CB-O 3.29Å; N213-K219 PolarHBondContact ND2-O 3.31Å
214	G	98.1	Very high	98.3	Very high	45 Å²	45	30.6 Å²	30.6	46%	0.464	19%	0.191	S	C	.	.	S	Bend	trans	65.2	18.2	-178	0	0	0	0	0	115	T208 K211	T208-G214 WeakPolarHBondContact CB-O 3.32Å; T208-G214 WeakPolarHBondContact O-CA 3.49Å; K211-G214 PolarHBondContact O-N 3.37Å
215	A	98	Very high	98.3	Very high	34 Å²	34	37.4 Å²	37.4	28%	0.281	22%	0.223	S	C	.	.	S	Bend	trans	-137.2	153.5	-175	0	0	0	0	0	111.8	K211 N213 I217	K211-A215 WeakPolarHBondContact CD-O 3.36Å; K211-A215 WeakPolarHBondContact CE-O 3.38Å; K211-A215 PolarHBondContact NZ-O 3.5Å; N213-A215 PolarHBondContact O-N 3.42Å; N213-A215 PolarHBondContact OD1-N 2.61Å; N213-A215 VanDerWaalsContact OD1-N 3.08Å; N213-A215 PolarHBondContact OD1-O 3.5Å; N213-A215 VanDerWaalsContact OD1-O 3.06Å; A215-I217 VanDerWaalsContact C-N 3.34Å
216	L	98.1	Very high	98.3	Very high	13 Å²	13	38.3 Å²	38.3	7%	0.068	23%	0.229	C	C	.	.	S	Bend	trans	-75.3	-26.4	176.1	-65	176.3	0	0	0	112.2	L157 T159 S205 A206 T208 K211 Q272 A273	L157-L216 HydrophobicContact CB-CD1 3.92Å; L157-L216 HydrophobicContact CD2-CD1 4.36Å; T159-L216 HydrophobicContact CG2-CD1 4.39Å; T159-L216 HydrophobicContact CG2-CD2 3.68Å; S205-L216 VanDerWaalsContact OG-CD2 3.3Å; S205-L216 WeakPolarHBondContact OG-CD2 3.35Å; A206-L216 WeakPolarHBondContact O-CD2 3.41Å; T208-L216 HydrophobicContact CG2-CD2 3.77Å; T208-L216 HydrophobicContact CG2-CG 3.63Å; K211-L216 PolarHBondContact NZ-O 3.04Å; L216-Q272 HydrophobicContact CB-CG 4.17Å; L216-Q272 VanDerWaalsContact O-CA 3.3Å; L216-Q272 WeakPolarHBondContact O-CA 3.33Å; L216-A273 PolarHBondContact O-N 3.04Å
217	I	98	Very high	98.3	Very high	63 Å²	63	39.4 Å²	39.4	32%	0.323	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-105.7	169.9	-178.4	71.9	176.7	0	0	0	112.3	N213 A215 F271 W418	N213-I217 PolarHBondContact ND2-O 3.38Å; A215-I217 VanDerWaalsContact C-N 3.34Å; I217-F271 WeakPolarHBondContact CA-O 3.43Å; I217-F271 VanDerWaalsContact CG2-C 3.45Å; I217-W418 HydrophobicContact CG2-CH2 3.84Å; I217-W418 HydrophobicContact CG2-CZ2 3.87Å
218	G	97.4	Very high	98.3	Very high	9 Å²	9	40.6 Å²	40.6	9%	0.093	25%	0.252	C	S	.	.	S	Bend	trans	70.2	-177.4	177.5	0	0	0	0	0	113.9	G220 Y269	G218-G220 PolarHBondContact O-N 2.8Å; G218-Y269 WeakPolarHBondContact CA-O 3.41Å; G218-Y269 PolarHBondContact N-O 2.81Å
219	K	98.1	Very high	98.2	Very high	96 Å²	96	44.2 Å²	44.2	42%	0.417	26%	0.264	S	S	.	.	S	Bend	trans	-61.9	122.6	-178.7	178.5	170.9	-170.9	130.2	0	111.5	N213 G264 E265 M266 T267	N213-K219 VanDerWaalsContact CB-O 3.29Å; N213-K219 WeakPolarHBondContact CB-O 3.29Å; N213-K219 PolarHBondContact ND2-O 3.31Å; K219-G264 CarbonylContact C-O 3.49Å; K219-G264 VanDerWaalsContact CA-O 3.24Å; K219-G264 WeakPolarHBondContact CA-O 3.38Å; K219-E265 WeakPolarHBondContact CD-O 3.4Å; K219-E265 VanDerWaalsContact CE-OE2 3.25Å; K219-E265 WeakPolarHBondContact CE-OE2 2.98Å; K219-E265 PolarHBondContact NZ-O 2.83Å; K219-E265 IonicContact NZ-OE2 2.76Å; K219-E265 PolarHBondContact NZ-OE2 2.92Å; K219-M266 PolarHBondContact N-O 3.22Å; K219-M266 VanDerWaalsContact N-O 3.13Å; K219-T267 PolarHBondContact N-O 3.04Å
220	G	98.1	Very high	98.2	Very high	2 Å²	2	43.9 Å²	43.9	2%	0.021	26%	0.264	C	S	.	.			trans	179.1	126.6	177.5	0	0	0	0	0	113.7	G218 G264 G275	G218-G220 PolarHBondContact O-N 2.8Å; G220-G264 PolarHBondContact N-O 3.11Å; G220-G275 PolarHBondContact O-N 3.25Å
221	S	98.4	Very high	98.2	Very high	22 Å²	22	44.1 Å²	44.1	15%	0.154	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-101.7	178.7	171.7	58.2	0	0	0	0	111.6	K211 T212 G275	K211-S221 CarbonylContact C-O 3.58Å; K211-S221 WeakPolarHBondContact CA-O 3.38Å; T212-S221 PolarHBondContact N-O 3.15Å; T212-S221 PolarHBondContact OG1-N 2.84Å; T212-S221 PolarHBondContact OG1-O 3.25Å; S221-G275 WeakPolarHBondContact CA-O 3.41Å; S221-G275 VanDerWaalsContact CB-O 3.25Å; S221-G275 WeakPolarHBondContact CB-O 3.21Å
222	L	98.6	Very high	98.2	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-64.8	144.3	170.3	-68.3	175.7	0	0	0	111.1	A206 M210 W234 L274 F276	A206-L222 HydrophobicContact CB-CD2 3.66Å; M210-L222 HydrophobicContact CB-CD2 4.09Å; L222-W234 HydrophobicContact CD1-CB 3.93Å; L222-W234 HydrophobicContact CD1-CG 3.93Å; L222-W234 HydrophobicContact CD2-CB 4.3Å; L222-W234 HydrophobicContact CD2-CG 4.22Å; L222-L274 HydrophobicContact CD2-CD1 4.15Å; L222-L274 HydrophobicContact CD2-CD2 4.25Å; L222-L274 HydrophobicContact CG-CD1 4.15Å; L222-L274 HydrophobicContact CG-CD2 4.26Å; L222-F276 HydrophobicContact CD1-CE1 4.31Å; L222-F276 HydrophobicContact CD1-CZ 3.83Å; L222-F276 HydrophobicContact CG-CZ 4.33Å
223	K	98.6	Very high	98.3	Very high	77 Å²	77	46 Å²	46	34%	0.335	27%	0.267	S	S	.	.	S	Bend	trans	-67.5	152.9	171.7	-65	171.7	-172.9	169.7	0	110.9	W209 M210 K211 T212 E230 H231	W209-K223 WeakPolarHBondContact O-CE 3.29Å; W209-K223 PolarHBondContact O-NZ 3.36Å; M210-K223 WeakPolarHBondContact O-CG 3.13Å; M210-K223 PolarHBondContact O-N 2.93Å; K211-K223 WeakPolarHBondContact O-CE 3.4Å; T212-K223 HydrophobicContact CG2-CG 4.15Å; K223-E230 HydrophobicContact CB-CG 3.98Å; K223-E230 WeakPolarHBondContact O-CB 3.18Å; K223-H231 PolarHBondContact O-CE1 2.81Å; K223-H231 PolarHBondContact O-ND1 3.36Å
224	G	97.8	Very high	98.3	Very high	57 Å²	57	43.3 Å²	43.3	59%	0.588	25%	0.252	S	S	*	.	S	Bend	trans	74.7	-143.5	178.5	0	0	0	0	0	111.3
225	Q	97.8	Very high	98.3	Very high	145 Å²	145	41.2 Å²	41.2	68%	0.678	23%	0.23	S	C	*	.			trans	-142.4	159.8	-177.9	49.8	-117.4	-8.9	0	0	110.5	G228 H231	Q225-G228 VanDerWaalsContact O-CA 3.31Å; Q225-G228 WeakPolarHBondContact O-CA 3.34Å; Q225-G228 PolarHBondContact O-N 3.32Å; Q225-H231 VanDerWaalsContact C-CE1 3.44Å; Q225-H231 PolarHBondContact O-ND1 3.12Å
226	P	98.6	Very high	98.4	Very high	26 Å²	26	43.7 Å²	43.7	17%	0.169	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	140.5	172.6	-32.5	39.2	0	0	0	113.2	G228 D283 W284 L287	P226-G228 PolarHBondContact O-N 3.35Å; P226-D283 HydrophobicContact CB-CB 3.67Å; P226-D283 HydrophobicContact CG-CB 3.68Å; P226-W284 HydrophobicContact CG-CB 4.39Å; P226-L287 HydrophobicContact CB-CD1 3.98Å
227	G	98.3	Very high	98.4	Very high	24 Å²	24	43 Å²	43	25%	0.247	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-11.4	-168.2	0	0	0	0	0	114.7	K232 D288	G227-K232 WeakPolarHBondContact O-CE 3.31Å; G227-K232 PolarHBondContact O-NZ 3.21Å; G227-D288 VanDerWaalsContact CA-OD1 3.27Å; G227-D288 WeakPolarHBondContact CA-OD1 3.27Å; G227-D288 PolarHBondContact N-OD1 3.45Å; G227-D288 PolarHBondContact N-OD2 2.69Å
228	G	98.3	Very high	98.5	Very high	24 Å²	24	40 Å²	40	25%	0.247	22%	0.218	C	C	.	.	S	Bend	trans	-78.2	173	176	0	0	0	0	0	113.8	Q225 P226 E230 H231 K232	Q225-G228 VanDerWaalsContact O-CA 3.31Å; Q225-G228 WeakPolarHBondContact O-CA 3.34Å; Q225-G228 PolarHBondContact O-N 3.32Å; P226-G228 PolarHBondContact O-N 3.35Å; G228-E230 PolarHBondContact O-N 2.98Å; G228-H231 PolarHBondContact O-N 3.42Å; G228-K232 WeakPolarHBondContact O-CB 3.42Å; G228-K232 WeakPolarHBondContact O-CG 3.06Å; G228-K232 PolarHBondContact O-N 3.1Å
229	K	98	Very high	98.5	Very high	121 Å²	121	39.7 Å²	39.7	53%	0.526	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-41.3	-173.3	66.9	-178.4	-174.8	179.7	0	113.1	Y167 T233	Y167-K229 HydrophobicContact CD1-CB 4.35Å; Y167-K229 HydrophobicContact CD1-CD 4.37Å; Y167-K229 HydrophobicContact CD1-CG 4.26Å; Y167-K229 HydrophobicContact CE1-CB 4.36Å; Y167-K229 HydrophobicContact CE1-CD 3.74Å; Y167-K229 HydrophobicContact CE1-CG 3.77Å; Y167-K229 VanDerWaalsContact OH-CE 3.29Å; Y167-K229 WeakPolarHBondContact OH-CE 3.02Å; Y167-K229 PolarHBondContact OH-NZ 3.31Å; K229-T233 WeakPolarHBondContact O-CB 3.3Å; K229-T233 PolarHBondContact O-N 3.31Å; K229-T233 PolarHBondContact O-OG1 2.81Å
230	E	98.6	Very high	98.6	Very high	16 Å²	16	39.1 Å²	39.1	8%	0.075	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-42.9	179.3	-70.1	85.3	175.2	0	0	111.5	Y167 K223 G228 T233 W234	Y167-E230 HydrophobicContact CE1-CG 4.15Å; K223-E230 HydrophobicContact CB-CG 3.98Å; K223-E230 WeakPolarHBondContact O-CB 3.18Å; G228-E230 PolarHBondContact O-N 2.98Å; E230-T233 PolarHBondContact O-N 2.86Å; E230-W234 WeakPolarHBondContact O-CB 3.49Å; E230-W234 PolarHBondContact O-N 2.75Å
231	H	98.8	Very high	98.6	Very high	6 Å²	6	39 Å²	39	3%	0.028	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-41.4	179.7	-73	72.5	0	0	0	112.3	K223 Q225 G228 W234 A235 W284 D288	K223-H231 PolarHBondContact O-CE1 2.81Å; K223-H231 PolarHBondContact O-ND1 3.36Å; Q225-H231 VanDerWaalsContact C-CE1 3.44Å; Q225-H231 PolarHBondContact O-ND1 3.12Å; G228-H231 PolarHBondContact O-N 3.42Å; H231-W234 PolarHBondContact O-N 2.99Å; H231-A235 PolarHBondContact O-N 2.93Å; H231-W284 AromaticContact CD2-CD1 3.78Å; H231-W284 PolarHBondContact O-NE1 3.31Å; H231-D288 WeakPolarHBondContact CB-OD2 3.39Å
232	K	98.8	Very high	98.6	Very high	113 Å²	113	38.1 Å²	38.1	49%	0.491	20%	0.201	S	C	.	.	H	α-helix	trans	-62.3	-43.8	170.8	-75.3	177.7	170.8	152.2	0	112.4	G227 G228 W234 A235 Q236 D288	G227-K232 WeakPolarHBondContact O-CE 3.31Å; G227-K232 PolarHBondContact O-NZ 3.21Å; G228-K232 WeakPolarHBondContact O-CB 3.42Å; G228-K232 WeakPolarHBondContact O-CG 3.06Å; G228-K232 PolarHBondContact O-N 3.1Å; K232-W234 VanDerWaalsContact C-N 3.29Å; K232-W234 PolarHBondContact O-N 2.94Å; K232-A235 PolarHBondContact O-N 3.44Å; K232-Q236 WeakPolarHBondContact O-CG 3.02Å; K232-Q236 PolarHBondContact O-N 2.89Å; K232-D288 WeakPolarHBondContact CG-OD1 3.33Å
233	T	98.9	Very high	98.6	Very high	9 Å²	9	40.8 Å²	40.8	6%	0.055	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-38.3	178.5	-52.5	0	0	0	0	110.6	Y167 L169 W209 M210 K229 E230 Q236 Y237	Y167-T233 WeakPolarHBondContact CD1-OG1 3.35Å; L169-T233 HydrophobicContact CD1-CG2 4.34Å; L169-T233 HydrophobicContact CD2-CG2 3.87Å; L169-T233 HydrophobicContact CG-CG2 3.92Å; W209-T233 HydrophobicContact CH2-CG2 4.27Å; M210-T233 HydrophobicContact CE-CG2 3.37Å; K229-T233 WeakPolarHBondContact O-CB 3.3Å; K229-T233 PolarHBondContact O-N 3.31Å; K229-T233 PolarHBondContact O-OG1 2.81Å; E230-T233 PolarHBondContact O-N 2.86Å; T233-Q236 CarbonylContact O-C 3.54Å; T233-Q236 PolarHBondContact O-N 3.05Å; T233-Y237 PolarHBondContact O-N 3.3Å
234	W	98.9	Very high	98.6	Very high	1 Å²	1	38.2 Å²	38.2	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-41.5	175.3	-173.1	-127.4	0	0	0	112.5	A203 S205 A206 M210 L222 E230 H231 K232 Q236 Y237 Y238 L274 W284	A203-W234 HydrophobicContact CB-CH2 3.75Å; A203-W234 HydrophobicContact CB-CZ2 3.73Å; S205-W234 WeakPolarHBondContact O-CH2 3.28Å; A206-W234 HydrophobicContact CB-CD2 3.91Å; A206-W234 HydrophobicContact CB-CE3 3.73Å; A206-W234 HydrophobicContact CB-CH2 4.06Å; A206-W234 HydrophobicContact CB-CZ2 4.17Å; A206-W234 HydrophobicContact CB-CZ3 3.84Å; M210-W234 HydrophobicContact SD-CB 4.48Å; M210-W234 HydrophobicContact SD-CE3 4.47Å; L222-W234 HydrophobicContact CD1-CB 3.93Å; L222-W234 HydrophobicContact CD1-CG 3.93Å; L222-W234 HydrophobicContact CD2-CB 4.3Å; L222-W234 HydrophobicContact CD2-CG 4.22Å; E230-W234 WeakPolarHBondContact O-CB 3.49Å; E230-W234 PolarHBondContact O-N 2.75Å; H231-W234 PolarHBondContact O-N 2.99Å; K232-W234 VanDerWaalsContact C-N 3.29Å; K232-W234 PolarHBondContact O-N 2.94Å; W234-Q236 VanDerWaalsContact C-N 3.34Å; W234-Q236 PolarHBondContact O-N 2.97Å; W234-Y237 AromaticContact CE3-CD1 3.96Å; W234-Y237 HydrophobicContact CE3-CD1 3.96Å; W234-Y237 HydrophobicContact CE3-CD2 4.38Å; W234-Y237 AromaticContact CE3-CG 3.81Å; W234-Y237 HydrophobicContact CE3-CG 3.81Å; W234-Y237 AromaticContact CH2-CD1 3.95Å; W234-Y237 HydrophobicContact CH2-CD1 3.95Å; W234-Y237 HydrophobicContact CH2-CE1 4.01Å; W234-Y237 AromaticContact CZ3-CD1 3.32Å; W234-Y237 HydrophobicContact CZ3-CD1 3.32Å; W234-Y237 HydrophobicContact CZ3-CD2 4.02Å; W234-Y237 AromaticContact CZ3-CE1 3.63Å; W234-Y237 HydrophobicContact CZ3-CE1 3.63Å; W234-Y237 HydrophobicContact CZ3-CE2 4.27Å; W234-Y237 AromaticContact CZ3-CG 3.53Å; W234-Y237 HydrophobicContact CZ3-CG 3.53Å; W234-Y237 VanDerWaalsContact O-CB 3.29Å; W234-Y237 WeakPolarHBondContact O-CB 3.27Å; W234-Y237 PolarHBondContact O-N 2.97Å; W234-Y237 VanDerWaalsContact O-N 3.15Å; W234-Y238 HydrophobicContact CD2-CE2 4.19Å; W234-Y238 AromaticContact CE2-CE2 3.52Å; W234-Y238 HydrophobicContact CH2-CE2 4.15Å; W234-Y238 HydrophobicContact CZ2-CD2 4.44Å; W234-Y238 AromaticContact CZ2-CE2 3.53Å; W234-Y238 HydrophobicContact CZ2-CE2 3.53Å; W234-Y238 AromaticContact NE1-CE2 3.67Å; W234-Y238 WeakPolarHBondContact O-CD2 3.27Å; W234-Y238 PolarHBondContact O-N 3.45Å; W234-L274 HydrophobicContact CZ2-CD2 3.97Å; W234-W284 HydrophobicContact CB-CZ2 4.43Å; W234-W284 AromaticContact CD1-CE2 3.63Å; W234-W284 AromaticContact CD1-CH2 3.65Å; W234-W284 AromaticContact CD1-CZ2 3.15Å; W234-W284 AromaticContact CG-CZ2 3.97Å; W234-W284 HydrophobicContact CG-CZ2 3.97Å; W234-W284 AromaticContact NE1-CH2 3.74Å; W234-W284 AromaticContact NE1-CZ2 3.75Å
235	A	98.9	Very high	98.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-44.2	171.1	0	0	0	0	0	111.9	H231 K232 Y237 Y238 I239 W284 D288 L289 A292	H231-A235 PolarHBondContact O-N 2.93Å; K232-A235 PolarHBondContact O-N 3.44Å; A235-Y237 VanDerWaalsContact C-N 3.27Å; A235-Y237 PolarHBondContact O-N 2.81Å; A235-Y238 WeakPolarHBondContact O-CB 3.36Å; A235-Y238 PolarHBondContact O-N 3.36Å; A235-I239 PolarHBondContact O-N 3.21Å; A235-W284 HydrophobicContact CB-CZ2 4.36Å; A235-D288 HydrophobicContact CB-CB 3.88Å; A235-L289 HydrophobicContact CB-CB 4.43Å; A235-A292 HydrophobicContact CB-CB 4Å
236	Q	98.9	Very high	98.7	Very high	86 Å²	86	30 Å²	30	40%	0.402	15%	0.154	S	C	.	.	H	α-helix	trans	-65.1	-29.5	175.7	-67.8	-59.7	-39.9	0	0	113	L169 K232 T233 W234 Y238 I239 R240	L169-Q236 HydrophobicContact CD1-CB 3.82Å; K232-Q236 WeakPolarHBondContact O-CG 3.02Å; K232-Q236 PolarHBondContact O-N 2.89Å; T233-Q236 CarbonylContact O-C 3.54Å; T233-Q236 PolarHBondContact O-N 3.05Å; W234-Q236 VanDerWaalsContact C-N 3.34Å; W234-Q236 PolarHBondContact O-N 2.97Å; Q236-Y238 VanDerWaalsContact C-N 3.3Å; Q236-Y238 PolarHBondContact O-N 2.78Å; Q236-I239 PolarHBondContact O-N 2.87Å; Q236-I239 VanDerWaalsContact O-N 3.13Å; Q236-R240 WeakPolarHBondContact O-CG 3.14Å; Q236-R240 PolarHBondContact O-N 3.27Å
237	Y	98.9	Very high	98.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-40.4	174.1	-177.2	-77.5	0	0	0	111.4	M148 Y160 A161 L169 F172 P207 T233 W234 A235 R240 F241	M148-Y237 HydrophobicContact CE-CD1 4.31Å; M148-Y237 HydrophobicContact CE-CE1 4.33Å; Y160-Y237 WeakPolarHBondContact CB-OH 3.42Å; Y160-Y237 AromaticContact CD2-CE1 3.86Å; Y160-Y237 HydrophobicContact CD2-CE1 3.86Å; Y160-Y237 HydrophobicContact CD2-CE2 4.41Å; Y160-Y237 AromaticContact CD2-CZ 3.54Å; Y160-Y237 WeakPolarHBondContact CD2-OH 3.45Å; Y160-Y237 AromaticContact CG-CZ 3.97Å; Y160-Y237 PolarHBondContact N-OH 3.42Å; A161-Y237 HydrophobicContact CB-CD2 4.11Å; A161-Y237 HydrophobicContact CB-CE2 3.96Å; L169-Y237 HydrophobicContact CD2-CD2 4.28Å; F172-Y237 AromaticContact CD2-CD2 3.82Å; F172-Y237 HydrophobicContact CD2-CD2 3.82Å; F172-Y237 AromaticContact CD2-CE2 3.99Å; F172-Y237 HydrophobicContact CD2-CE2 3.99Å; F172-Y237 HydrophobicContact CD2-CG 4.38Å; F172-Y237 HydrophobicContact CE2-CD1 4.12Å; F172-Y237 AromaticContact CE2-CD2 3.61Å; F172-Y237 HydrophobicContact CE2-CD2 3.61Å; F172-Y237 HydrophobicContact CE2-CE1 4.15Å; F172-Y237 AromaticContact CE2-CE2 3.66Å; F172-Y237 HydrophobicContact CE2-CE2 3.66Å; F172-Y237 AromaticContact CE2-CG 3.86Å; F172-Y237 HydrophobicContact CE2-CG 3.86Å; F172-Y237 AromaticContact CE2-CZ 3.94Å; P207-Y237 HydrophobicContact CG-CD2 4.35Å; P207-Y237 HydrophobicContact CG-CE2 4.08Å; T233-Y237 PolarHBondContact O-N 3.3Å; W234-Y237 AromaticContact CE3-CD1 3.96Å; W234-Y237 HydrophobicContact CE3-CD1 3.96Å; W234-Y237 HydrophobicContact CE3-CD2 4.38Å; W234-Y237 AromaticContact CE3-CG 3.81Å; W234-Y237 HydrophobicContact CE3-CG 3.81Å; W234-Y237 AromaticContact CH2-CD1 3.95Å; W234-Y237 HydrophobicContact CH2-CD1 3.95Å; W234-Y237 HydrophobicContact CH2-CE1 4.01Å; W234-Y237 AromaticContact CZ3-CD1 3.32Å; W234-Y237 HydrophobicContact CZ3-CD1 3.32Å; W234-Y237 HydrophobicContact CZ3-CD2 4.02Å; W234-Y237 AromaticContact CZ3-CE1 3.63Å; W234-Y237 HydrophobicContact CZ3-CE1 3.63Å; W234-Y237 HydrophobicContact CZ3-CE2 4.27Å; W234-Y237 AromaticContact CZ3-CG 3.53Å; W234-Y237 HydrophobicContact CZ3-CG 3.53Å; W234-Y237 VanDerWaalsContact O-CB 3.29Å; W234-Y237 WeakPolarHBondContact O-CB 3.27Å; W234-Y237 PolarHBondContact O-N 2.97Å; W234-Y237 VanDerWaalsContact O-N 3.15Å; A235-Y237 VanDerWaalsContact C-N 3.27Å; A235-Y237 PolarHBondContact O-N 2.81Å; Y237-R240 PolarHBondContact O-N 3.24Å; Y237-F241 PolarHBondContact O-N 3.2Å
238	Y	98.9	Very high	98.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-41.6	172.7	-83.1	-108.6	0	0	0	111.9	M148 A203 W234 A235 Q236 F241 L242 L255 T256 T257 W284 L289	M148-Y238 HydrophobicContact CE-CD1 3.52Å; M148-Y238 HydrophobicContact CE-CD2 4.03Å; M148-Y238 HydrophobicContact CE-CE1 3.78Å; M148-Y238 HydrophobicContact CE-CE2 4.26Å; M148-Y238 HydrophobicContact CE-CG 3.67Å; M148-Y238 HydrophobicContact SD-CD1 3.8Å; M148-Y238 HydrophobicContact SD-CE1 3.57Å; M148-Y238 VanDerWaalsContact SD-CE1 3.57Å; A203-Y238 HydrophobicContact CB-CE2 4.32Å; A203-Y238 WeakPolarHBondContact CB-OH 3.42Å; W234-Y238 HydrophobicContact CD2-CE2 4.19Å; W234-Y238 AromaticContact CE2-CE2 3.52Å; W234-Y238 HydrophobicContact CH2-CE2 4.15Å; W234-Y238 HydrophobicContact CZ2-CD2 4.44Å; W234-Y238 AromaticContact CZ2-CE2 3.53Å; W234-Y238 HydrophobicContact CZ2-CE2 3.53Å; W234-Y238 AromaticContact NE1-CE2 3.67Å; W234-Y238 WeakPolarHBondContact O-CD2 3.27Å; W234-Y238 PolarHBondContact O-N 3.45Å; A235-Y238 WeakPolarHBondContact O-CB 3.36Å; A235-Y238 PolarHBondContact O-N 3.36Å; Q236-Y238 VanDerWaalsContact C-N 3.3Å; Q236-Y238 PolarHBondContact O-N 2.78Å; Y238-F241 WeakPolarHBondContact O-CB 3.43Å; Y238-F241 PolarHBondContact O-N 3.02Å; Y238-L242 WeakPolarHBondContact O-CG 3.16Å; Y238-L242 PolarHBondContact O-N 3.11Å; Y238-L242 VanDerWaalsContact O-N 3.12Å; Y238-L255 HydrophobicContact CD1-CB 4.29Å; Y238-L255 HydrophobicContact CD1-CD1 3.81Å; Y238-L255 HydrophobicContact CD1-CD2 4.02Å; Y238-L255 HydrophobicContact CD1-CG 4.25Å; Y238-L255 HydrophobicContact CE1-CB 4.44Å; Y238-L255 HydrophobicContact CE1-CD2 4.45Å; Y238-T256 VanDerWaalsContact CE1-O 3.28Å; Y238-T256 WeakPolarHBondContact CE1-O 3.35Å; Y238-T257 PolarHBondContact OH-O 2.87Å; Y238-W284 HydrophobicContact CD2-CH2 4.15Å; Y238-W284 HydrophobicContact CD2-CZ2 4.46Å; Y238-W284 AromaticContact CE2-CH2 3.77Å; Y238-W284 HydrophobicContact CE2-CH2 3.77Å; Y238-W284 HydrophobicContact CE2-CZ2 4.37Å; Y238-L289 HydrophobicContact CD1-CD1 4.45Å; Y238-L289 HydrophobicContact CG-CD1 4.13Å
239	I	98.8	Very high	98.7	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-45.1	177.7	-53.7	-46.9	0	0	0	111.1	A235 Q236 F241 L242 E243 A292 L293	A235-I239 PolarHBondContact O-N 3.21Å; Q236-I239 PolarHBondContact O-N 2.87Å; Q236-I239 VanDerWaalsContact O-N 3.13Å; I239-F241 VanDerWaalsContact C-N 3.28Å; I239-F241 PolarHBondContact O-N 2.71Å; I239-L242 PolarHBondContact O-N 3.36Å; I239-L242 VanDerWaalsContact O-N 3.15Å; I239-E243 HydrophobicContact CG2-CG 4.34Å; I239-E243 WeakPolarHBondContact O-CG 3.15Å; I239-E243 PolarHBondContact O-N 2.69Å; I239-A292 HydrophobicContact CD1-CB 4.45Å; I239-A292 HydrophobicContact CG1-CB 4.12Å; I239-L293 HydrophobicContact CD1-CB 4.1Å; I239-L293 HydrophobicContact CD1-CD1 3.66Å
240	R	98.8	Very high	98.7	Very high	83 Å²	83	38 Å²	38	31%	0.313	18%	0.177	S	C	.	.	H	α-helix	trans	-60	-38.2	175.5	-66.2	-59	-70.9	173.6	-7.7	112	L169 F172 Q236 Y237 E243 E244	L169-R240 HydrophobicContact CB-CG 4.32Å; L169-R240 HydrophobicContact CD1-CG 3.83Å; F172-R240 HydrophobicContact CD1-CB 3.91Å; F172-R240 HydrophobicContact CD2-CB 3.76Å; F172-R240 HydrophobicContact CD2-CG 4.43Å; F172-R240 HydrophobicContact CE1-CB 3.93Å; F172-R240 HydrophobicContact CE2-CB 3.74Å; F172-R240 HydrophobicContact CG-CB 3.85Å; F172-R240 HydrophobicContact CG-CG 4.43Å; F172-R240 HydrophobicContact CZ-CB 3.84Å; Q236-R240 WeakPolarHBondContact O-CG 3.14Å; Q236-R240 PolarHBondContact O-N 3.27Å; Y237-R240 PolarHBondContact O-N 3.24Å; R240-E243 WeakPolarHBondContact CD-OE2 3.48Å; R240-E243 IonicContact CZ-OE2 3.91Å; R240-E243 IonicContact NE-OE2 3.01Å; R240-E243 IonicContact NH1-OE2 3.61Å; R240-E243 PolarHBondContact NH1-OE2 3.21Å; R240-E243 PolarHBondContact O-N 2.84Å; R240-E244 IonicContact NH2-OE1 3.88Å; R240-E244 WeakPolarHBondContact O-CB 3.37Å; R240-E244 VanDerWaalsContact O-CG 3.29Å; R240-E244 WeakPolarHBondContact O-CG 3.21Å; R240-E244 PolarHBondContact O-N 3.21Å
241	F	98.9	Very high	98.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59	-48.5	173.5	166	-100.9	0	0	0	112.3	M148 Y160 F172 Y237 Y238 I239 E244 Y245 F252 L255	M148-F241 HydrophobicContact CB-CD2 4.45Å; M148-F241 HydrophobicContact CB-CE2 4.39Å; M148-F241 HydrophobicContact CE-CB 3.75Å; M148-F241 HydrophobicContact CE-CD1 3.72Å; M148-F241 HydrophobicContact CE-CD2 4.41Å; M148-F241 HydrophobicContact CE-CE1 4.41Å; M148-F241 HydrophobicContact CE-CG 3.7Å; M148-F241 HydrophobicContact CG-CD1 4Å; M148-F241 HydrophobicContact CG-CD2 4.02Å; M148-F241 HydrophobicContact CG-CE1 3.8Å; M148-F241 HydrophobicContact CG-CE2 3.79Å; M148-F241 HydrophobicContact CG-CG 4.09Å; M148-F241 HydrophobicContact CG-CZ 3.66Å; M148-F241 HydrophobicContact SD-CD1 4.04Å; M148-F241 HydrophobicContact SD-CE1 4.15Å; M148-F241 HydrophobicContact SD-CG 4.43Å; Y160-F241 AromaticContact CE2-CD2 3.75Å; Y160-F241 HydrophobicContact CE2-CD2 3.75Å; Y160-F241 HydrophobicContact CE2-CE2 4.34Å; F172-F241 HydrophobicContact CZ-CB 4.15Å; Y237-F241 PolarHBondContact O-N 3.2Å; Y238-F241 WeakPolarHBondContact O-CB 3.43Å; Y238-F241 PolarHBondContact O-N 3.02Å; I239-F241 VanDerWaalsContact C-N 3.28Å; I239-F241 PolarHBondContact O-N 2.71Å; F241-E244 PolarHBondContact O-N 3.07Å; F241-Y245 AromaticContact CD2-CD2 3.77Å; F241-Y245 HydrophobicContact CD2-CD2 3.77Å; F241-Y245 AromaticContact CD2-CE2 3.78Å; F241-Y245 HydrophobicContact CD2-CE2 3.78Å; F241-Y245 AromaticContact CE2-CD2 3.51Å; F241-Y245 HydrophobicContact CE2-CD2 3.51Å; F241-Y245 AromaticContact CE2-CE2 3.26Å; F241-Y245 HydrophobicContact CE2-CE2 3.26Å; F241-Y245 HydrophobicContact CE2-CG 4.33Å; F241-Y245 AromaticContact CE2-CZ 3.89Å; F241-Y245 HydrophobicContact CZ-CD2 4.15Å; F241-Y245 HydrophobicContact CZ-CE2 4.1Å; F241-Y245 PolarHBondContact O-N 2.97Å; F241-F252 HydrophobicContact CE1-CD1 4.14Å; F241-F252 HydrophobicContact CE1-CD2 4.02Å; F241-F252 AromaticContact CE1-CE1 3.76Å; F241-F252 HydrophobicContact CE1-CE1 3.76Å; F241-F252 AromaticContact CE1-CE2 3.64Å; F241-F252 HydrophobicContact CE1-CE2 3.64Å; F241-F252 HydrophobicContact CE1-CG 4.27Å; F241-F252 AromaticContact CE1-CZ 3.51Å; F241-F252 HydrophobicContact CE1-CZ 3.51Å; F241-F252 HydrophobicContact CE2-CZ 4.28Å; F241-F252 HydrophobicContact CZ-CD2 4.5Å; F241-F252 AromaticContact CZ-CE1 3.69Å; F241-F252 HydrophobicContact CZ-CE1 3.69Å; F241-F252 AromaticContact CZ-CE2 3.68Å; F241-F252 HydrophobicContact CZ-CE2 3.68Å; F241-F252 AromaticContact CZ-CZ 3.22Å; F241-F252 HydrophobicContact CZ-CZ 3.22Å; F241-L255 HydrophobicContact CD1-CD2 4.21Å; F241-L255 HydrophobicContact CE1-CD2 4.09Å
242	L	98.9	Very high	98.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-60.6	-45.9	176.8	-64.6	-179.9	0	0	0	111.6	Y238 I239 Y245 A246 F252 L255 L293 H298 T301	Y238-L242 WeakPolarHBondContact O-CG 3.16Å; Y238-L242 PolarHBondContact O-N 3.11Å; Y238-L242 VanDerWaalsContact O-N 3.12Å; I239-L242 PolarHBondContact O-N 3.36Å; I239-L242 VanDerWaalsContact O-N 3.15Å; L242-Y245 PolarHBondContact O-N 2.75Å; L242-A246 VanDerWaalsContact O-CB 3.28Å; L242-A246 WeakPolarHBondContact O-CB 3.26Å; L242-A246 PolarHBondContact O-N 2.87Å; L242-F252 HydrophobicContact CD2-CB 3.61Å; L242-F252 HydrophobicContact CD2-CD2 3.69Å; L242-F252 HydrophobicContact CD2-CG 3.78Å; L242-L255 HydrophobicContact CD1-CD1 3.77Å; L242-L255 HydrophobicContact CD2-CD1 4.13Å; L242-L255 HydrophobicContact CD2-CD2 4.09Å; L242-L255 HydrophobicContact CD2-CG 4.28Å; L242-L255 HydrophobicContact CG-CD1 4.1Å; L242-L293 HydrophobicContact CD1-CD1 3.6Å; L242-H298 HydrophobicContact CB-CB 4.5Å; L242-H298 HydrophobicContact CD1-CB 3.71Å; L242-T301 HydrophobicContact CD1-CG2 4.36Å
243	E	98.8	Very high	98.7	Very high	61 Å²	61	38 Å²	38	29%	0.285	18%	0.184	S	C	.	.	H	α-helix	trans	-61.9	-43.8	179.1	-71.8	176	172.7	0	0	112.2	I239 R240 A246 K247	I239-E243 HydrophobicContact CG2-CG 4.34Å; I239-E243 WeakPolarHBondContact O-CG 3.15Å; I239-E243 PolarHBondContact O-N 2.69Å; R240-E243 WeakPolarHBondContact CD-OE2 3.48Å; R240-E243 IonicContact CZ-OE2 3.91Å; R240-E243 IonicContact NE-OE2 3.01Å; R240-E243 IonicContact NH1-OE2 3.61Å; R240-E243 PolarHBondContact NH1-OE2 3.21Å; R240-E243 PolarHBondContact O-N 2.84Å; E243-A246 PolarHBondContact O-N 3.35Å; E243-K247 PolarHBondContact O-N 3.29Å
244	E	98.8	Very high	98.7	Very high	24 Å²	24	37.6 Å²	37.6	11%	0.112	18%	0.181	C	C	.	.	H	α-helix	trans	-70.1	-38.3	-179.1	-69.7	-55.9	140.6	0	0	112.3	F172 L174 R240 F241 K247 Y248	F172-E244 HydrophobicContact CD1-CG 3.87Å; F172-E244 HydrophobicContact CE1-CB 4.3Å; F172-E244 HydrophobicContact CE1-CG 3.62Å; L174-E244 HydrophobicContact CD1-CB 3.81Å; L174-E244 HydrophobicContact CD2-CB 4.06Å; L174-E244 HydrophobicContact CG-CB 3.75Å; L174-E244 HydrophobicContact CG-CG 4.4Å; R240-E244 IonicContact NH2-OE1 3.88Å; R240-E244 WeakPolarHBondContact O-CB 3.37Å; R240-E244 VanDerWaalsContact O-CG 3.29Å; R240-E244 WeakPolarHBondContact O-CG 3.21Å; R240-E244 PolarHBondContact O-N 3.21Å; F241-E244 PolarHBondContact O-N 3.07Å; E244-K247 WeakPolarHBondContact O-CB 3.24Å; E244-K247 PolarHBondContact O-N 3.23Å; E244-K247 IonicContact OE1-NZ 2.64Å; E244-K247 PolarHBondContact OE1-NZ 2.02Å; E244-K247 WeakPolarHBondContact OE2-CE 3.11Å; E244-K247 IonicContact OE2-NZ 2.7Å; E244-K247 PolarHBondContact OE2-NZ 3.05Å; E244-Y248 WeakPolarHBondContact O-CD2 3.3Å
245	Y	98.8	Very high	98.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.8	-34.3	173.8	-93.5	-108.9	0	0	0	112.4	V146 L174 D178 I183 L186 F241 L242 K247 Y248 L250 F252	V146-Y245 HydrophobicContact CG1-CE1 4.19Å; L174-Y245 HydrophobicContact CD1-CD2 3.86Å; L174-Y245 HydrophobicContact CD1-CE2 3.91Å; L174-Y245 HydrophobicContact CD2-CD2 3.96Å; L174-Y245 HydrophobicContact CD2-CE2 3.73Å; L174-Y245 HydrophobicContact CG-CE2 4.49Å; D178-Y245 PolarHBondContact OD1-OH 2.94Å; I183-Y245 HydrophobicContact CD1-CD1 4.34Å; I183-Y245 HydrophobicContact CD1-CE1 4.14Å; I183-Y245 HydrophobicContact CD1-CE2 4.43Å; I183-Y245 HydrophobicContact CG1-CD1 4.13Å; I183-Y245 HydrophobicContact CG1-CE1 3.66Å; L186-Y245 HydrophobicContact CD1-CE1 4.2Å; F241-Y245 AromaticContact CD2-CD2 3.77Å; F241-Y245 HydrophobicContact CD2-CD2 3.77Å; F241-Y245 AromaticContact CD2-CE2 3.78Å; F241-Y245 HydrophobicContact CD2-CE2 3.78Å; F241-Y245 AromaticContact CE2-CD2 3.51Å; F241-Y245 HydrophobicContact CE2-CD2 3.51Å; F241-Y245 AromaticContact CE2-CE2 3.26Å; F241-Y245 HydrophobicContact CE2-CE2 3.26Å; F241-Y245 HydrophobicContact CE2-CG 4.33Å; F241-Y245 AromaticContact CE2-CZ 3.89Å; F241-Y245 HydrophobicContact CZ-CD2 4.15Å; F241-Y245 HydrophobicContact CZ-CE2 4.1Å; F241-Y245 PolarHBondContact O-N 2.97Å; L242-Y245 PolarHBondContact O-N 2.75Å; Y245-K247 PolarHBondContact O-N 3.21Å; Y245-Y248 PolarHBondContact O-N 2.9Å; Y245-L250 CarbonylContact C-O 3.57Å; Y245-L250 VanDerWaalsContact C-O 3.32Å; Y245-L250 HydrophobicContact CD1-CB 4.14Å; Y245-L250 HydrophobicContact CD1-CD1 3.96Å; Y245-L250 HydrophobicContact CE1-CD1 4.32Å; Y245-L250 PolarHBondContact O-N 3.03Å; Y245-F252 AromaticContact CD1-CE2 3.67Å; Y245-F252 HydrophobicContact CD1-CE2 3.67Å; Y245-F252 AromaticContact CD1-CZ 3.85Å; Y245-F252 HydrophobicContact CD1-CZ 3.85Å; Y245-F252 HydrophobicContact CE1-CE2 4.42Å; Y245-F252 HydrophobicContact CE1-CZ 4.15Å; Y245-F252 AromaticContact CG-CE2 3.72Å; Y245-F252 HydrophobicContact CG-CE2 3.72Å; Y245-F252 HydrophobicContact CG-CZ 4.21Å
246	A	98.6	Very high	98.7	Very high	29 Å²	29	37.5 Å²	37.5	24%	0.24	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-28	176.7	0	0	0	0	0	112.8	L242 E243 Y248 N249 L250	L242-A246 VanDerWaalsContact O-CB 3.28Å; L242-A246 WeakPolarHBondContact O-CB 3.26Å; L242-A246 PolarHBondContact O-N 2.87Å; E243-A246 PolarHBondContact O-N 3.35Å; A246-Y248 PolarHBondContact O-N 3.48Å; A246-Y248 VanDerWaalsContact O-N 3.15Å; A246-N249 PolarHBondContact O-N 3.43Å; A246-L250 WeakPolarHBondContact CA-O 3.41Å; A246-L250 PolarHBondContact N-O 3.35Å
247	K	98.5	Very high	98.7	Very high	134 Å²	134	33.5 Å²	33.5	58%	0.583	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20	173	-64.6	175.4	-169.7	173.3	0	113.5	E243 E244 Y245	E243-K247 PolarHBondContact O-N 3.29Å; E244-K247 WeakPolarHBondContact O-CB 3.24Å; E244-K247 PolarHBondContact O-N 3.23Å; E244-K247 IonicContact OE1-NZ 2.64Å; E244-K247 PolarHBondContact OE1-NZ 2.02Å; E244-K247 WeakPolarHBondContact OE2-CE 3.11Å; E244-K247 IonicContact OE2-NZ 2.7Å; E244-K247 PolarHBondContact OE2-NZ 3.05Å; Y245-K247 PolarHBondContact O-N 3.21Å
248	Y	98.4	Very high	98.6	Very high	92 Å²	92	33.9 Å²	33.9	36%	0.361	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	14	175.4	-60.2	-90.5	0	0	0	112.5	L174 I183 E244 Y245 A246 L250	L174-Y248 HydrophobicContact CD1-CE2 4.18Å; I183-Y248 HydrophobicContact CD1-CD2 3.71Å; I183-Y248 HydrophobicContact CD1-CE2 3.92Å; I183-Y248 HydrophobicContact CD1-CG 4.07Å; I183-Y248 HydrophobicContact CG2-CD1 3.82Å; I183-Y248 HydrophobicContact CG2-CD2 4.47Å; I183-Y248 HydrophobicContact CG2-CG 3.75Å; E244-Y248 WeakPolarHBondContact O-CD2 3.3Å; Y245-Y248 PolarHBondContact O-N 2.9Å; A246-Y248 PolarHBondContact O-N 3.48Å; A246-Y248 VanDerWaalsContact O-N 3.15Å; Y248-L250 PolarHBondContact O-N 2.86Å
249	N	97.4	Very high	98.6	Very high	137 Å²	137	34.1 Å²	34.1	73%	0.733	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	26.6	-174.9	-52.9	-54.9	0	0	0	114.2	A246	A246-N249 PolarHBondContact O-N 3.43Å
250	L	98.3	Very high	98.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.			trans	-104.3	116.2	172.7	-64	177.4	0	0	0	109.4	I183 L186 L187 Q190 L199 Y245 A246 Y248	I183-L250 HydrophobicContact CB-CD1 4.23Å; I183-L250 HydrophobicContact CG1-CD1 4.09Å; I183-L250 HydrophobicContact CG2-CD1 3.89Å; L186-L250 HydrophobicContact CB-CD1 3.93Å; L186-L250 HydrophobicContact CB-CD2 4.25Å; L186-L250 HydrophobicContact CD1-CD1 4Å; L187-L250 HydrophobicContact CD2-CD2 3.77Å; L187-L250 HydrophobicContact CD2-CG 4.15Å; L187-L250 HydrophobicContact CG-CD2 4.26Å; L187-L250 HydrophobicContact CG-CG 4.5Å; Q190-L250 VanDerWaalsContact OE1-CD2 3.24Å; L199-L250 HydrophobicContact CD1-CB 3.98Å; L199-L250 HydrophobicContact CD1-CD2 4.16Å; Y245-L250 CarbonylContact C-O 3.57Å; Y245-L250 VanDerWaalsContact C-O 3.32Å; Y245-L250 HydrophobicContact CD1-CB 4.14Å; Y245-L250 HydrophobicContact CD1-CD1 3.96Å; Y245-L250 HydrophobicContact CE1-CD1 4.32Å; Y245-L250 PolarHBondContact O-N 3.03Å; A246-L250 WeakPolarHBondContact CA-O 3.41Å; A246-L250 PolarHBondContact N-O 3.35Å; Y248-L250 PolarHBondContact O-N 2.86Å
251	T	98	Very high	98.6	Very high	92 Å²	92	31.1 Å²	31.1	56%	0.564	16%	0.157	S	C	*	.			trans	-110.8	144.4	177.4	55.5	0	0	0	0	110.7
252	F	98.8	Very high	98.5	Very high	11 Å²	11	32.5 Å²	32.5	5%	0.048	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.2	-179.9	-73.9	-99.3	0	0	0	111.8	V146 L199 F241 L242 Y245 T301	V146-F252 HydrophobicContact CB-CE1 3.96Å; V146-F252 HydrophobicContact CB-CZ 4.17Å; V146-F252 HydrophobicContact CG1-CZ 4.45Å; V146-F252 HydrophobicContact CG2-CE1 4.08Å; V146-F252 HydrophobicContact CG2-CZ 4.28Å; L199-F252 HydrophobicContact CB-CD1 3.65Å; L199-F252 HydrophobicContact CB-CE1 3.77Å; L199-F252 HydrophobicContact CB-CG 4.13Å; L199-F252 HydrophobicContact CB-CZ 4.31Å; L199-F252 HydrophobicContact CD1-CZ 4.4Å; F241-F252 HydrophobicContact CE1-CD1 4.14Å; F241-F252 HydrophobicContact CE1-CD2 4.02Å; F241-F252 AromaticContact CE1-CE1 3.76Å; F241-F252 HydrophobicContact CE1-CE1 3.76Å; F241-F252 AromaticContact CE1-CE2 3.64Å; F241-F252 HydrophobicContact CE1-CE2 3.64Å; F241-F252 HydrophobicContact CE1-CG 4.27Å; F241-F252 AromaticContact CE1-CZ 3.51Å; F241-F252 HydrophobicContact CE1-CZ 3.51Å; F241-F252 HydrophobicContact CE2-CZ 4.28Å; F241-F252 HydrophobicContact CZ-CD2 4.5Å; F241-F252 AromaticContact CZ-CE1 3.69Å; F241-F252 HydrophobicContact CZ-CE1 3.69Å; F241-F252 AromaticContact CZ-CE2 3.68Å; F241-F252 HydrophobicContact CZ-CE2 3.68Å; F241-F252 AromaticContact CZ-CZ 3.22Å; F241-F252 HydrophobicContact CZ-CZ 3.22Å; L242-F252 HydrophobicContact CD2-CB 3.61Å; L242-F252 HydrophobicContact CD2-CD2 3.69Å; L242-F252 HydrophobicContact CD2-CG 3.78Å; Y245-F252 AromaticContact CD1-CE2 3.67Å; Y245-F252 HydrophobicContact CD1-CE2 3.67Å; Y245-F252 AromaticContact CD1-CZ 3.85Å; Y245-F252 HydrophobicContact CD1-CZ 3.85Å; Y245-F252 HydrophobicContact CE1-CE2 4.42Å; Y245-F252 HydrophobicContact CE1-CZ 4.15Å; Y245-F252 AromaticContact CG-CE2 3.72Å; Y245-F252 HydrophobicContact CG-CE2 3.72Å; Y245-F252 HydrophobicContact CG-CZ 4.21Å; F252-T301 HydrophobicContact CB-CG2 4.38Å; F252-T301 PolarHBondContact O-OG1 2.62Å; F252-T301 VanDerWaalsContact O-OG1 3.1Å
253	W	98.8	Very high	98.4	Very high	33 Å²	33	32.3 Å²	32.3	13%	0.125	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-44.7	168.6	159.1	54.5	0	0	0	110.1	K104 L199 H302 Y360 F362	K104-W253 HydrophobicContact CD-CH2 4.37Å; K104-W253 HydrophobicContact CD-CZ2 3.88Å; K104-W253 VanDerWaalsContact CE-CE2 3.44Å; K104-W253 HydrophobicContact CG-CH2 3.79Å; K104-W253 HydrophobicContact CG-CZ2 3.75Å; K104-W253 HydrophobicContact CG-CZ3 4.38Å; L199-W253 PolarHBondContact O-N 3.25Å; W253-H302 AromaticContact NE1-CE1 3.68Å; W253-H302 AromaticContact NE1-CG 3.87Å; W253-H302 AromaticContact NE1-ND1 3.37Å; W253-H302 PolarHBondContact NE1-ND1 3.38Å; W253-H302 PolarHBondContact O-N 3.3Å; W253-Y360 HydrophobicContact CH2-CE2 4.39Å; W253-Y360 HydrophobicContact CZ2-CE2 4.1Å; W253-Y360 AromaticContact CZ2-CZ 3.91Å; W253-Y360 VanDerWaalsContact CZ2-OH 3.27Å; W253-Y360 WeakPolarHBondContact CZ2-OH 3.01Å; W253-F362 AromaticContact CH2-CD2 3.89Å; W253-F362 HydrophobicContact CH2-CD2 3.89Å; W253-F362 AromaticContact CH2-CE2 3.92Å; W253-F362 HydrophobicContact CH2-CE2 3.92Å; W253-F362 HydrophobicContact CH2-CG 4.23Å; W253-F362 HydrophobicContact CH2-CZ 4.28Å; W253-F362 HydrophobicContact CZ3-CE1 4.4Å; W253-F362 HydrophobicContact CZ3-CE2 4.24Å; W253-F362 HydrophobicContact CZ3-CZ 4.17Å
254	A	98.9	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	157.2	-174.2	0	0	0	0	0	112.5	L199 L200 G201 H302 L304	L199-A254 PolarHBondContact O-N 3.26Å; L200-A254 CarbonylContact C-O 3.52Å; L200-A254 WeakPolarHBondContact CA-O 3.35Å; L200-A254 HydrophobicContact CD1-CB 3.59Å; G201-A254 PolarHBondContact N-O 3.07Å; A254-H302 CarbonylContact C-O 3.48Å; A254-H302 VanDerWaalsContact CA-O 3.3Å; A254-H302 WeakPolarHBondContact CA-O 3.24Å; A254-H302 HydrophobicContact CB-CB 3.9Å; A254-L304 HydrophobicContact CB-CD1 4.31Å; A254-L304 HydrophobicContact CB-CG 4.3Å
255	L	98.9	Very high	98.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.7	164.9	-67.8	166.6	0	0	0	108.4	M148 G201 Y238 F241 L242 T301 H302 I303 L304	M148-L255 HydrophobicContact SD-CD2 4.08Å; G201-L255 CarbonylContact O-C 3.32Å; G201-L255 VanDerWaalsContact O-CA 3.27Å; G201-L255 WeakPolarHBondContact O-CA 3.14Å; Y238-L255 HydrophobicContact CD1-CB 4.29Å; Y238-L255 HydrophobicContact CD1-CD1 3.81Å; Y238-L255 HydrophobicContact CD1-CD2 4.02Å; Y238-L255 HydrophobicContact CD1-CG 4.25Å; Y238-L255 HydrophobicContact CE1-CB 4.44Å; Y238-L255 HydrophobicContact CE1-CD2 4.45Å; F241-L255 HydrophobicContact CD1-CD2 4.21Å; F241-L255 HydrophobicContact CE1-CD2 4.09Å; L242-L255 HydrophobicContact CD1-CD1 3.77Å; L242-L255 HydrophobicContact CD2-CD1 4.13Å; L242-L255 HydrophobicContact CD2-CD2 4.09Å; L242-L255 HydrophobicContact CD2-CG 4.28Å; L242-L255 HydrophobicContact CG-CD1 4.1Å; L255-T301 HydrophobicContact CB-CG2 4.49Å; L255-T301 HydrophobicContact CD1-CG2 4.03Å; L255-T301 HydrophobicContact CG-CG2 3.84Å; L255-H302 PolarHBondContact N-O 3.31Å; L255-I303 WeakPolarHBondContact O-CA 3.27Å; L255-L304 PolarHBondContact O-N 2.67Å
256	T	98.9	Very high	98.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	160.4	162.9	79.2	0	0	0	0	110.3	L200 G201 S202 Y238 G258 L304 D307 A334 T364	L200-T256 HydrophobicContact CD1-CG2 3.79Å; L200-T256 HydrophobicContact CD2-CG2 4.46Å; L200-T256 HydrophobicContact CG-CG2 4.39Å; G201-T256 PolarHBondContact O-N 3.35Å; S202-T256 WeakPolarHBondContact CB-OG1 3.17Å; S202-T256 VanDerWaalsContact OG-CG2 3.24Å; S202-T256 WeakPolarHBondContact OG-CG2 2.97Å; S202-T256 PolarHBondContact OG-OG1 3.19Å; Y238-T256 VanDerWaalsContact CE1-O 3.28Å; Y238-T256 WeakPolarHBondContact CE1-O 3.35Å; T256-G258 PolarHBondContact O-N 3.39Å; T256-G258 PolarHBondContact OG1-N 2.91Å; T256-L304 CarbonylContact C-O 3.59Å; T256-L304 VanDerWaalsContact CA-O 3.23Å; T256-L304 WeakPolarHBondContact CA-O 3.43Å; T256-L304 HydrophobicContact CG2-CB 4.27Å; T256-D307 VanDerWaalsContact CB-OD2 3.3Å; T256-D307 WeakPolarHBondContact CB-OD2 3.29Å; T256-D307 HydrophobicContact CG2-CB 3.94Å; T256-D307 VanDerWaalsContact CG2-CG 3.47Å; T256-D307 WeakPolarHBondContact CG2-OD2 3.33Å; T256-D307 PolarHBondContact OG1-OD2 3.48Å; T256-A334 HydrophobicContact CG2-CB 4.29Å; T256-T364 HydrophobicContact CG2-CG2 4.44Å
257	T	98.6	Very high	97.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.203	C	C	.	.	S	Bend	trans	-68.7	-9.2	175.4	46.6	0	0	0	0	113.8	Y238 Q281 W284 V285 L289 I303 L304 I305	Y238-T257 PolarHBondContact OH-O 2.87Å; T257-Q281 HydrophobicContact CG2-CG 4.15Å; T257-Q281 VanDerWaalsContact OG1-CD 3.29Å; T257-Q281 PolarHBondContact OG1-NE2 2.94Å; T257-W284 HydrophobicContact CG2-CZ3 4.42Å; T257-W284 WeakPolarHBondContact O-CZ3 2.96Å; T257-V285 HydrophobicContact CG2-CG2 3.58Å; T257-L289 HydrophobicContact CG2-CD2 4.3Å; T257-I303 HydrophobicContact CG2-CG2 3.99Å; T257-L304 PolarHBondContact N-O 3.37Å; T257-I305 HydrophobicContact CG2-CG2 4.02Å
258	G	97.8	Very high	97.4	Very high	8 Å²	8	40.3 Å²	40.3	8%	0.082	21%	0.214	C	C	.	.			trans	142.2	143.4	-177.1	0	0	0	0	0	109.9	A203 T256 D307	A203-G258 WeakPolarHBondContact O-CA 3.37Å; T256-G258 PolarHBondContact O-N 3.39Å; T256-G258 PolarHBondContact OG1-N 2.91Å; G258-D307 WeakPolarHBondContact O-CB 3.25Å
259	N	98.8	Very high	97.4	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.032	20%	0.202	C	C	.	.	S	Bend	trans	-70.7	127.5	178.5	-179.3	101.6	0	0	0	110.6	R145 A203 W204 E365	R145-N259 PolarHBondContact NH2-OD1 3.01Å; A203-N259 PolarHBondContact O-N 2.98Å; W204-N259 HydrophobicContact CD2-CB 3.82Å; W204-N259 HydrophobicContact CE3-CB 4.06Å; W204-N259 HydrophobicContact CG-CB 4.04Å; W204-N259 PolarHBondContact NE1-ND2 3.1Å; N259-E365 PolarHBondContact OD1-OE2 2.97Å
260	E	98.5	Very high	97.3	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.093	19%	0.187	C	C	.	.			trans	43.8	62.1	174.4	-61.6	-171.8	172.9	0	0	113.6	S262 A263 Y269 D307 D308 H336	E260-S262 PolarHBondContact O-N 3.17Å; E260-A263 HydrophobicContact CB-CB 3.96Å; E260-A263 WeakPolarHBondContact O-CB 3.46Å; E260-A263 PolarHBondContact O-N 2.93Å; E260-Y269 PolarHBondContact OE2-OH 3.22Å; E260-D307 WeakPolarHBondContact CA-O 3.23Å; E260-D307 PolarHBondContact N-O 3.44Å; E260-D308 VanDerWaalsContact CA-OD2 3.28Å; E260-D308 WeakPolarHBondContact CA-OD2 3.4Å; E260-H336 IonicContact OE1-CE1 3.37Å; E260-H336 IonicContact OE1-ND1 2.86Å; E260-H336 PolarHBondContact OE1-ND1 3.39Å; E260-H336 VanDerWaalsContact OE1-ND1 3.15Å
261	P	98.3	Very high	97.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.013	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-27.6	-179.6	22.6	-36.3	0	0	0	113.5	A263 G275 F276 L306 W316	P261-A263 VanDerWaalsContact C-N 3.31Å; P261-A263 PolarHBondContact O-N 3.27Å; P261-G275 WeakPolarHBondContact O-CA 3.4Å; P261-F276 HydrophobicContact CB-CB 3.92Å; P261-F276 HydrophobicContact CB-CD2 4.49Å; P261-F276 PolarHBondContact O-N 3.13Å; P261-L306 WeakPolarHBondContact CD-O 3Å; P261-L306 VanDerWaalsContact CG-O 3.28Å; P261-L306 WeakPolarHBondContact CG-O 3.31Å; P261-W316 HydrophobicContact CB-CH2 4.16Å; P261-W316 HydrophobicContact CB-CZ2 3.93Å; P261-W316 HydrophobicContact CG-CH2 3.95Å; P261-W316 HydrophobicContact CG-CZ2 3.63Å
262	S	98.2	Very high	97.3	Very high	28 Å²	28	30.2 Å²	30.2	20%	0.196	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-26.8	177.1	76	0	0	0	0	113.1	E260 G264 E265 D308	E260-S262 PolarHBondContact O-N 3.17Å; S262-G264 VanDerWaalsContact C-N 3.3Å; S262-G264 PolarHBondContact O-N 2.88Å; S262-E265 WeakPolarHBondContact O-CB 3.04Å; S262-E265 PolarHBondContact O-N 3.01Å; S262-E265 VanDerWaalsContact O-N 3.16Å; S262-D308 VanDerWaalsContact CB-OD2 3.22Å; S262-D308 WeakPolarHBondContact CB-OD2 3.26Å; S262-D308 PolarHBondContact N-OD2 3.01Å; S262-D308 VanDerWaalsContact N-OD2 3.13Å; S262-D308 PolarHBondContact OG-OD2 3.31Å
263	A	97.2	Very high	97.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-62	-38.7	177.9	0	0	0	0	0	112.4	E260 P261 E265 M266 Y269 A273	E260-A263 HydrophobicContact CB-CB 3.96Å; E260-A263 WeakPolarHBondContact O-CB 3.46Å; E260-A263 PolarHBondContact O-N 2.93Å; P261-A263 VanDerWaalsContact C-N 3.31Å; P261-A263 PolarHBondContact O-N 3.27Å; A263-E265 PolarHBondContact O-N 3.25Å; A263-E265 VanDerWaalsContact O-N 3.11Å; A263-M266 WeakPolarHBondContact O-CB 3.37Å; A263-M266 PolarHBondContact O-N 2.9Å; A263-Y269 HydrophobicContact CB-CD1 4.12Å; A263-Y269 HydrophobicContact CB-CD2 3.73Å; A263-Y269 HydrophobicContact CB-CE1 3.73Å; A263-Y269 HydrophobicContact CB-CE2 3.31Å; A263-Y269 HydrophobicContact CB-CG 4.09Å; A263-A273 HydrophobicContact CB-CB 4.14Å
264	G	96.6	Very high	97.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-69.5	-4.8	179.3	0	0	0	0	0	114.3	K219 G220 S262	K219-G264 CarbonylContact C-O 3.49Å; K219-G264 VanDerWaalsContact CA-O 3.24Å; K219-G264 WeakPolarHBondContact CA-O 3.38Å; G220-G264 PolarHBondContact N-O 3.11Å; S262-G264 VanDerWaalsContact C-N 3.3Å; S262-G264 PolarHBondContact O-N 2.88Å
265	E	96.5	Very high	97.3	Very high	62 Å²	62	28.6 Å²	28.6	29%	0.29	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-91.4	-7.9	170.6	-71.5	-56.6	123.2	0	0	113.6	K219 S262 A263	K219-E265 WeakPolarHBondContact CD-O 3.4Å; K219-E265 VanDerWaalsContact CE-OE2 3.25Å; K219-E265 WeakPolarHBondContact CE-OE2 2.98Å; K219-E265 PolarHBondContact NZ-O 2.83Å; K219-E265 IonicContact NZ-OE2 2.76Å; K219-E265 PolarHBondContact NZ-OE2 2.92Å; S262-E265 WeakPolarHBondContact O-CB 3.04Å; S262-E265 PolarHBondContact O-N 3.01Å; S262-E265 VanDerWaalsContact O-N 3.16Å; A263-E265 PolarHBondContact O-N 3.25Å; A263-E265 VanDerWaalsContact O-N 3.11Å
266	M	95.5	Very high	97.2	Very high	99 Å²	99	28.8 Å²	28.8	49%	0.488	16%	0.159	S	C	.	.			trans	-91.2	122	-178	-54.5	-176.8	-169.7	0	0	111.6	K219 A263 N268 Y269	K219-M266 PolarHBondContact N-O 3.22Å; K219-M266 VanDerWaalsContact N-O 3.13Å; A263-M266 WeakPolarHBondContact O-CB 3.37Å; A263-M266 PolarHBondContact O-N 2.9Å; M266-N268 VanDerWaalsContact C-N 3.31Å; M266-N268 PolarHBondContact O-N 3.19Å; M266-Y269 PolarHBondContact O-N 3.25Å; M266-Y269 HydrophobicContact SD-CD2 4.05Å
267	T	91.9	Very high	97.2	Very high	104 Å²	104	31 Å²	31	64%	0.638	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-45.4	-174.4	-52.4	0	0	0	0	113.6	K219	K219-T267 PolarHBondContact N-O 3.04Å
268	N	91.9	Very high	97.2	Very high	151 Å²	151	31.6 Å²	31.6	81%	0.807	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	29.2	-173.6	-64.4	-21.9	0	0	0	112.7	M266 S270	M266-N268 VanDerWaalsContact C-N 3.31Å; M266-N268 PolarHBondContact O-N 3.19Å; N268-S270 PolarHBondContact O-N 3.07Å
269	Y	97.1	Very high	97.3	Very high	29 Å²	29	35 Å²	35	11%	0.114	19%	0.19	C	C	.	.			trans	-62.2	128.7	174.2	-159.7	-102.2	0	0	0	110.3	G218 E260 A263 M266 F271 A273	G218-Y269 WeakPolarHBondContact CA-O 3.41Å; G218-Y269 PolarHBondContact N-O 2.81Å; E260-Y269 PolarHBondContact OE2-OH 3.22Å; A263-Y269 HydrophobicContact CB-CD1 4.12Å; A263-Y269 HydrophobicContact CB-CD2 3.73Å; A263-Y269 HydrophobicContact CB-CE1 3.73Å; A263-Y269 HydrophobicContact CB-CE2 3.31Å; A263-Y269 HydrophobicContact CB-CG 4.09Å; M266-Y269 PolarHBondContact O-N 3.25Å; M266-Y269 HydrophobicContact SD-CD2 4.05Å; Y269-F271 HydrophobicContact CD1-CD2 4.33Å; Y269-F271 HydrophobicContact CD1-CE2 4.49Å; Y269-F271 HydrophobicContact CD1-CG 4.44Å; Y269-F271 WeakPolarHBondContact CD1-O 3.38Å; Y269-F271 HydrophobicContact CE1-CD1 4.16Å; Y269-F271 AromaticContact CE1-CD2 3.41Å; Y269-F271 HydrophobicContact CE1-CD2 3.41Å; Y269-F271 VanDerWaalsContact CE1-CD2 3.41Å; Y269-F271 HydrophobicContact CE1-CE1 4.04Å; Y269-F271 AromaticContact CE1-CE2 3.29Å; Y269-F271 HydrophobicContact CE1-CE2 3.29Å; Y269-F271 AromaticContact CE1-CG 3.88Å; Y269-F271 HydrophobicContact CE1-CG 3.88Å; Y269-F271 AromaticContact CE1-CZ 3.62Å; Y269-F271 HydrophobicContact CE1-CZ 3.62Å; Y269-F271 HydrophobicContact CE2-CZ 4.19Å; Y269-F271 AromaticContact CZ-CD2 4Å; Y269-F271 AromaticContact CZ-CE1 3.9Å; Y269-F271 AromaticContact CZ-CE2 3.36Å; Y269-F271 AromaticContact CZ-CZ 3.3Å; Y269-F271 WeakPolarHBondContact OH-CE2 3.29Å; Y269-F271 WeakPolarHBondContact OH-CZ 3.44Å; Y269-A273 HydrophobicContact CD1-CB 3.57Å; Y269-A273 HydrophobicContact CE1-CB 3.78Å; Y269-A273 HydrophobicContact CG-CB 4.42Å
270	S	96.1	Very high	97.3	Very high	59 Å²	59	37.7 Å²	37.7	41%	0.413	20%	0.203	S	C	.	.			trans	-89.1	-11.7	-159.7	55	0	0	0	0	114.4	N268	N268-S270 PolarHBondContact O-N 3.07Å
271	F	97.9	Very high	97.3	Very high	20 Å²	20	36.8 Å²	36.8	9%	0.088	20%	0.199	C	C	.	.	S	Bend	trans	-137.4	-173.6	-179.3	53.7	-94.5	0	0	0	112.8	D152 I217 Y269 A273 W418 V419	D152-F271 HydrophobicContact CB-CB 3.79Å; D152-F271 HydrophobicContact CB-CD1 4.08Å; D152-F271 HydrophobicContact CB-CD2 3.77Å; D152-F271 HydrophobicContact CB-CE2 4.27Å; D152-F271 HydrophobicContact CB-CG 3.63Å; I217-F271 WeakPolarHBondContact CA-O 3.43Å; I217-F271 VanDerWaalsContact CG2-C 3.45Å; Y269-F271 HydrophobicContact CD1-CD2 4.33Å; Y269-F271 HydrophobicContact CD1-CE2 4.49Å; Y269-F271 HydrophobicContact CD1-CG 4.44Å; Y269-F271 WeakPolarHBondContact CD1-O 3.38Å; Y269-F271 HydrophobicContact CE1-CD1 4.16Å; Y269-F271 AromaticContact CE1-CD2 3.41Å; Y269-F271 HydrophobicContact CE1-CD2 3.41Å; Y269-F271 VanDerWaalsContact CE1-CD2 3.41Å; Y269-F271 HydrophobicContact CE1-CE1 4.04Å; Y269-F271 AromaticContact CE1-CE2 3.29Å; Y269-F271 HydrophobicContact CE1-CE2 3.29Å; Y269-F271 AromaticContact CE1-CG 3.88Å; Y269-F271 HydrophobicContact CE1-CG 3.88Å; Y269-F271 AromaticContact CE1-CZ 3.62Å; Y269-F271 HydrophobicContact CE1-CZ 3.62Å; Y269-F271 HydrophobicContact CE2-CZ 4.19Å; Y269-F271 AromaticContact CZ-CD2 4Å; Y269-F271 AromaticContact CZ-CE1 3.9Å; Y269-F271 AromaticContact CZ-CE2 3.36Å; Y269-F271 AromaticContact CZ-CZ 3.3Å; Y269-F271 WeakPolarHBondContact OH-CE2 3.29Å; Y269-F271 WeakPolarHBondContact OH-CZ 3.44Å; F271-A273 PolarHBondContact O-N 2.8Å; F271-W418 HydrophobicContact CB-CZ2 3.98Å; F271-V419 HydrophobicContact CB-CG1 4.02Å; F271-V419 HydrophobicContact CD1-CG1 4.05Å; F271-V419 HydrophobicContact CG-CG1 4.41Å
272	Q	98.6	Very high	97.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-56	126.2	-172.9	-63.2	93.1	-49.3	0	0	110.9	S150 C151 L157 W204 L216	S150-Q272 VanDerWaalsContact C-NE2 3.29Å; S150-Q272 PolarHBondContact O-NE2 2.84Å; S150-Q272 PolarHBondContact OG-NE2 3.3Å; C151-Q272 VanDerWaalsContact C-CD 3.48Å; C151-Q272 VanDerWaalsContact C-OE1 3.27Å; C151-Q272 PolarHBondContact O-NE2 3.47Å; C151-Q272 PolarHBondContact O-OE1 2.85Å; L157-Q272 HydrophobicContact CD2-CG 3.72Å; L157-Q272 VanDerWaalsContact CD2-NE2 3.28Å; W204-Q272 HydrophobicContact CB-CB 3.65Å; W204-Q272 HydrophobicContact CG-CB 4.38Å; L216-Q272 HydrophobicContact CB-CG 4.17Å; L216-Q272 VanDerWaalsContact O-CA 3.3Å; L216-Q272 WeakPolarHBondContact O-CA 3.33Å
273	A	98.3	Very high	97.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	21%	0.211	C	C	.	.			trans	-152.1	152.4	178.4	0	0	0	0	0	111.1	W204 K211 L216 A263 Y269 F271	W204-A273 CarbonylContact O-C 3.58Å; W204-A273 WeakPolarHBondContact O-CA 3.1Å; W204-A273 PolarHBondContact O-N 2.68Å; K211-A273 WeakPolarHBondContact CE-O 3.43Å; K211-A273 PolarHBondContact NZ-O 3.25Å; L216-A273 PolarHBondContact O-N 3.04Å; A263-A273 HydrophobicContact CB-CB 4.14Å; Y269-A273 HydrophobicContact CD1-CB 3.57Å; Y269-A273 HydrophobicContact CE1-CB 3.78Å; Y269-A273 HydrophobicContact CG-CB 4.42Å; F271-A273 PolarHBondContact O-N 2.8Å
274	L	98.6	Very high	97.4	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.047	21%	0.211	C	C	.	.			trans	-134.5	116.1	172.2	-179	64.8	0	0	0	109.5	W204 A206 K211 L222 W234 F276	W204-L274 PolarHBondContact O-N 3.34Å; W204-L274 VanDerWaalsContact O-N 3.07Å; A206-L274 HydrophobicContact CB-CD1 4.22Å; A206-L274 HydrophobicContact CB-CD2 3.88Å; K211-L274 HydrophobicContact CD-CD1 4.12Å; K211-L274 HydrophobicContact CG-CD1 4.01Å; L222-L274 HydrophobicContact CD2-CD1 4.15Å; L222-L274 HydrophobicContact CD2-CD2 4.25Å; L222-L274 HydrophobicContact CG-CD1 4.15Å; L222-L274 HydrophobicContact CG-CD2 4.26Å; W234-L274 HydrophobicContact CZ2-CD2 3.97Å; L274-F276 HydrophobicContact CD2-CE2 3.55Å; L274-F276 HydrophobicContact CD2-CZ 4.12Å; L274-F276 HydrophobicContact CG-CD2 4.27Å; L274-F276 HydrophobicContact CG-CE2 3.72Å; L274-F276 HydrophobicContact CG-CZ 4.5Å
275	G	98.3	Very high	97.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-72	132.3	-175.7	0	0	0	0	0	111.7	G220 S221 P261	G220-G275 PolarHBondContact O-N 3.25Å; S221-G275 WeakPolarHBondContact CA-O 3.41Å; S221-G275 VanDerWaalsContact CB-O 3.25Å; S221-G275 WeakPolarHBondContact CB-O 3.21Å; P261-G275 WeakPolarHBondContact O-CA 3.4Å
276	F	98.4	Very high	97.7	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.018	20%	0.201	C	C	.	.			trans	-137.7	134.3	162.8	-74.2	-89.2	0	0	0	109.3	L222 P261 L274 E280 Q281 W284 W316	L222-F276 HydrophobicContact CD1-CE1 4.31Å; L222-F276 HydrophobicContact CD1-CZ 3.83Å; L222-F276 HydrophobicContact CG-CZ 4.33Å; P261-F276 HydrophobicContact CB-CB 3.92Å; P261-F276 HydrophobicContact CB-CD2 4.49Å; P261-F276 PolarHBondContact O-N 3.13Å; L274-F276 HydrophobicContact CD2-CE2 3.55Å; L274-F276 HydrophobicContact CD2-CZ 4.12Å; L274-F276 HydrophobicContact CG-CD2 4.27Å; L274-F276 HydrophobicContact CG-CE2 3.72Å; L274-F276 HydrophobicContact CG-CZ 4.5Å; F276-E280 HydrophobicContact CD1-CB 3.93Å; F276-Q281 HydrophobicContact CB-CB 4.25Å; F276-W284 HydrophobicContact CE1-CB 4.21Å; F276-W284 HydrophobicContact CE1-CD2 4.3Å; F276-W284 HydrophobicContact CE1-CE3 4.33Å; F276-W284 HydrophobicContact CE1-CG 4.25Å; F276-W284 HydrophobicContact CZ-CD2 4.27Å; F276-W284 HydrophobicContact CZ-CE3 4.17Å; F276-W316 VanDerWaalsContact O-CH2 3.29Å; F276-W316 WeakPolarHBondContact O-CH2 2.88Å; F276-W316 WeakPolarHBondContact O-CZ2 3.38Å
277	T	98.6	Very high	97.8	Very high	46 Å²	46	37.7 Å²	37.7	28%	0.282	20%	0.201	S	C	.	.			trans	-72.9	161.3	156.9	73.2	0	0	0	0	110.1	E279 E280 Q281	T277-E279 PolarHBondContact O-N 2.74Å; T277-E279 PolarHBondContact OG1-N 2.96Å; T277-E279 PolarHBondContact OG1-OE2 3.49Å; T277-E280 PolarHBondContact N-OE2 3.16Å; T277-E280 PolarHBondContact O-N 3.2Å; T277-E280 WeakPolarHBondContact OG1-CG 2.78Å; T277-E280 PolarHBondContact OG1-N 3.42Å; T277-E280 VanDerWaalsContact OG1-N 3.1Å; T277-Q281 WeakPolarHBondContact O-CB 3.08Å; T277-Q281 PolarHBondContact O-N 3.34Å
278	P	98.8	Very high	98.1	Very high	14 Å²	14	33 Å²	33	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-32.3	173.9	23.1	-33.8	0	0	0	112.9	R282 W316 V319 V320	P278-R282 WeakPolarHBondContact O-CB 3.37Å; P278-R282 PolarHBondContact O-N 3Å; P278-W316 HydrophobicContact CB-CD2 3.8Å; P278-W316 HydrophobicContact CB-CE3 4.42Å; P278-W316 HydrophobicContact CB-CG 3.86Å; P278-W316 HydrophobicContact CB-CZ2 4.42Å; P278-W316 HydrophobicContact CG-CD2 4.36Å; P278-W316 HydrophobicContact CG-CE3 4.5Å; P278-V319 HydrophobicContact CB-CB 3.83Å; P278-V319 HydrophobicContact CB-CG1 3.74Å; P278-V319 HydrophobicContact CB-CG2 4.29Å; P278-V319 HydrophobicContact CG-CB 4.35Å; P278-V319 HydrophobicContact CG-CG1 4.22Å; P278-V319 HydrophobicContact CG-CG2 4.28Å; P278-V320 HydrophobicContact CB-CG2 4.41Å; P278-V320 WeakPolarHBondContact O-CG2 3.41Å
279	E	98.8	Very high	98.5	Very high	78 Å²	78	25.8 Å²	25.8	36%	0.364	13%	0.134	S	C	.	.	H	α-helix	trans	-68.1	-43.4	174.5	-62.9	74.6	-161.9	0	0	112.3	T277 R282 D283 V319	T277-E279 PolarHBondContact O-N 2.74Å; T277-E279 PolarHBondContact OG1-N 2.96Å; T277-E279 PolarHBondContact OG1-OE2 3.49Å; E279-R282 WeakPolarHBondContact O-CB 3.42Å; E279-R282 PolarHBondContact O-N 3.01Å; E279-D283 WeakPolarHBondContact O-CB 3.29Å; E279-D283 VanDerWaalsContact O-CG 3.3Å; E279-D283 PolarHBondContact O-N 3.09Å; E279-V319 HydrophobicContact CG-CG1 3.88Å
280	E	98.6	Very high	98.6	Very high	64 Å²	64	24.4 Å²	24.4	30%	0.299	13%	0.129	S	C	.	.	H	α-helix	trans	-65.1	-40.7	176.8	-71.8	173.2	154.2	0	0	111.2	F276 T277 D283 W284	F276-E280 HydrophobicContact CD1-CB 3.93Å; T277-E280 PolarHBondContact N-OE2 3.16Å; T277-E280 PolarHBondContact O-N 3.2Å; T277-E280 WeakPolarHBondContact OG1-CG 2.78Å; T277-E280 PolarHBondContact OG1-N 3.42Å; T277-E280 VanDerWaalsContact OG1-N 3.1Å; E280-D283 PolarHBondContact O-N 3.45Å; E280-W284 VanDerWaalsContact O-CB 3.23Å; E280-W284 WeakPolarHBondContact O-CB 3.16Å; E280-W284 PolarHBondContact O-N 2.99Å
281	Q	98.9	Very high	98.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-62	-45.7	174.7	-174.7	177.8	94.1	0	0	111.2	T257 F276 T277 W284 V285	T257-Q281 HydrophobicContact CG2-CG 4.15Å; T257-Q281 VanDerWaalsContact OG1-CD 3.29Å; T257-Q281 PolarHBondContact OG1-NE2 2.94Å; F276-Q281 HydrophobicContact CB-CB 4.25Å; T277-Q281 WeakPolarHBondContact O-CB 3.08Å; T277-Q281 PolarHBondContact O-N 3.34Å; Q281-W284 PolarHBondContact O-N 3.37Å; Q281-V285 VanDerWaalsContact O-CG2 3.29Å; Q281-V285 WeakPolarHBondContact O-CG2 2.92Å; Q281-V285 PolarHBondContact O-N 2.81Å
282	R	98.9	Very high	98.7	Very high	56 Å²	56	23 Å²	23	21%	0.211	12%	0.121	C	C	.	.	H	α-helix	trans	-55.1	-53.6	174.8	177.1	-160.7	70.3	-157.2	-3.5	111.2	P278 E279 W284 V285 A286 V319 V320 D323 A326	P278-R282 WeakPolarHBondContact O-CB 3.37Å; P278-R282 PolarHBondContact O-N 3Å; E279-R282 WeakPolarHBondContact O-CB 3.42Å; E279-R282 PolarHBondContact O-N 3.01Å; R282-W284 PolarHBondContact O-N 3.37Å; R282-V285 PolarHBondContact O-N 2.96Å; R282-A286 WeakPolarHBondContact O-CB 3.3Å; R282-A286 PolarHBondContact O-N 3.2Å; R282-V319 WeakPolarHBondContact CD-O 3.46Å; R282-V320 HydrophobicContact CB-CB 4.35Å; R282-V320 HydrophobicContact CB-CG1 4.21Å; R282-V320 HydrophobicContact CB-CG2 4.13Å; R282-D323 HydrophobicContact CG-CB 3.91Å; R282-D323 IonicContact NE-OD2 3.53Å; R282-A326 HydrophobicContact CG-CB 3.78Å; R282-A326 WeakPolarHBondContact O-CB 3.35Å
283	D	98.9	Very high	98.7	Very high	49 Å²	49	23.2 Å²	23.2	26%	0.262	12%	0.122	S	C	.	.	H	α-helix	trans	-67.4	-39	-174.6	-70.2	-12.1	0	0	0	111.3	P226 E279 E280 A286 L287	P226-D283 HydrophobicContact CB-CB 3.67Å; P226-D283 HydrophobicContact CG-CB 3.68Å; E279-D283 WeakPolarHBondContact O-CB 3.29Å; E279-D283 VanDerWaalsContact O-CG 3.3Å; E279-D283 PolarHBondContact O-N 3.09Å; E280-D283 PolarHBondContact O-N 3.45Å; D283-A286 PolarHBondContact O-N 2.96Å; D283-L287 VanDerWaalsContact O-CB 3.26Å; D283-L287 WeakPolarHBondContact O-CB 3.24Å; D283-L287 WeakPolarHBondContact O-CG 3.46Å; D283-L287 PolarHBondContact O-N 3.05Å
284	W	98.9	Very high	98.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-41	175.5	-178.4	57.9	0	0	0	112.3	P226 H231 W234 A235 Y238 T257 F276 E280 Q281 R282 D288 L289	P226-W284 HydrophobicContact CG-CB 4.39Å; H231-W284 AromaticContact CD2-CD1 3.78Å; H231-W284 PolarHBondContact O-NE1 3.31Å; W234-W284 HydrophobicContact CB-CZ2 4.43Å; W234-W284 AromaticContact CD1-CE2 3.63Å; W234-W284 AromaticContact CD1-CH2 3.65Å; W234-W284 AromaticContact CD1-CZ2 3.15Å; W234-W284 AromaticContact CG-CZ2 3.97Å; W234-W284 HydrophobicContact CG-CZ2 3.97Å; W234-W284 AromaticContact NE1-CH2 3.74Å; W234-W284 AromaticContact NE1-CZ2 3.75Å; A235-W284 HydrophobicContact CB-CZ2 4.36Å; Y238-W284 HydrophobicContact CD2-CH2 4.15Å; Y238-W284 HydrophobicContact CD2-CZ2 4.46Å; Y238-W284 AromaticContact CE2-CH2 3.77Å; Y238-W284 HydrophobicContact CE2-CH2 3.77Å; Y238-W284 HydrophobicContact CE2-CZ2 4.37Å; T257-W284 HydrophobicContact CG2-CZ3 4.42Å; T257-W284 WeakPolarHBondContact O-CZ3 2.96Å; F276-W284 HydrophobicContact CE1-CB 4.21Å; F276-W284 HydrophobicContact CE1-CD2 4.3Å; F276-W284 HydrophobicContact CE1-CE3 4.33Å; F276-W284 HydrophobicContact CE1-CG 4.25Å; F276-W284 HydrophobicContact CZ-CD2 4.27Å; F276-W284 HydrophobicContact CZ-CE3 4.17Å; E280-W284 VanDerWaalsContact O-CB 3.23Å; E280-W284 WeakPolarHBondContact O-CB 3.16Å; E280-W284 PolarHBondContact O-N 2.99Å; Q281-W284 PolarHBondContact O-N 3.37Å; R282-W284 PolarHBondContact O-N 3.37Å; W284-D288 WeakPolarHBondContact O-CA 3.49Å; W284-D288 WeakPolarHBondContact O-CB 3.47Å; W284-D288 PolarHBondContact O-N 2.87Å; W284-L289 HydrophobicContact CD2-CB 4.29Å; W284-L289 HydrophobicContact CE3-CB 4.34Å; W284-L289 HydrophobicContact CE3-CD2 4.39Å; W284-L289 HydrophobicContact CH2-CB 4.05Å; W284-L289 HydrophobicContact CH2-CD1 4.1Å; W284-L289 HydrophobicContact CH2-CD2 3.73Å; W284-L289 HydrophobicContact CH2-CG 4.16Å; W284-L289 HydrophobicContact CZ2-CB 3.96Å; W284-L289 HydrophobicContact CZ2-CD1 4.27Å; W284-L289 HydrophobicContact CZ2-CD2 4.47Å; W284-L289 HydrophobicContact CZ2-CG 4.45Å; W284-L289 HydrophobicContact CZ3-CB 4.24Å; W284-L289 HydrophobicContact CZ3-CD2 3.68Å; W284-L289 HydrophobicContact CZ3-CG 4.44Å; W284-L289 PolarHBondContact O-N 3.19Å
285	V	98.9	Very high	98.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-63.5	-46.2	173.9	171.5	0	0	0	0	111	T257 Q281 R282 G290 A326 I330	T257-V285 HydrophobicContact CG2-CG2 3.58Å; Q281-V285 VanDerWaalsContact O-CG2 3.29Å; Q281-V285 WeakPolarHBondContact O-CG2 2.92Å; Q281-V285 PolarHBondContact O-N 2.81Å; R282-V285 PolarHBondContact O-N 2.96Å; V285-G290 WeakPolarHBondContact O-CA 3.33Å; V285-G290 PolarHBondContact O-N 2.91Å; V285-A326 HydrophobicContact CG1-CB 4.38Å; V285-I330 HydrophobicContact CG1-CD1 4.12Å; V285-I330 HydrophobicContact CG1-CG1 3.9Å
286	A	98.9	Very high	98.7	Very high	9 Å²	9	33.7 Å²	33.7	7%	0.074	19%	0.185	C	C	.	.	I	π-helix	trans	-66	-41.1	-177.1	0	0	0	0	0	113.5	R282 D283 P291 H325 A326	R282-A286 WeakPolarHBondContact O-CB 3.3Å; R282-A286 PolarHBondContact O-N 3.2Å; D283-A286 PolarHBondContact O-N 2.96Å; A286-P291 WeakPolarHBondContact O-CG 3.22Å; A286-H325 HydrophobicContact CB-CB 4.05Å; A286-A326 HydrophobicContact CB-CB 4.05Å
287	L	98.9	Very high	98.7	Very high	96 Å²	96	37.4 Å²	37.4	50%	0.503	22%	0.217	S	C	.	.	I	π-helix	trans	-98.5	-27.5	-169.3	-62	175.7	0	0	0	113.8	P226 D283	P226-L287 HydrophobicContact CB-CD1 3.98Å; D283-L287 VanDerWaalsContact O-CB 3.26Å; D283-L287 WeakPolarHBondContact O-CB 3.24Å; D283-L287 WeakPolarHBondContact O-CG 3.46Å; D283-L287 PolarHBondContact O-N 3.05Å
288	D	98.9	Very high	98.6	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.027	21%	0.21	C	C	.	.	I	π-helix	trans	-127	-67.8	-169.5	-54	-62.7	0	0	0	112.9	G227 H231 K232 A235 W284 A292	G227-D288 VanDerWaalsContact CA-OD1 3.27Å; G227-D288 WeakPolarHBondContact CA-OD1 3.27Å; G227-D288 PolarHBondContact N-OD1 3.45Å; G227-D288 PolarHBondContact N-OD2 2.69Å; H231-D288 WeakPolarHBondContact CB-OD2 3.39Å; K232-D288 WeakPolarHBondContact CG-OD1 3.33Å; A235-D288 HydrophobicContact CB-CB 3.88Å; W284-D288 WeakPolarHBondContact O-CA 3.49Å; W284-D288 WeakPolarHBondContact O-CB 3.47Å; W284-D288 PolarHBondContact O-N 2.87Å; D288-A292 WeakPolarHBondContact O-CB 3.3Å; D288-A292 PolarHBondContact O-N 2.85Å
289	L	98.9	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-64.3	-50.2	-171.3	179.9	66.1	0	0	0	112.4	A235 Y238 T257 W284 A292 L293 I303	A235-L289 HydrophobicContact CB-CB 4.43Å; Y238-L289 HydrophobicContact CD1-CD1 4.45Å; Y238-L289 HydrophobicContact CG-CD1 4.13Å; T257-L289 HydrophobicContact CG2-CD2 4.3Å; W284-L289 HydrophobicContact CD2-CB 4.29Å; W284-L289 HydrophobicContact CE3-CB 4.34Å; W284-L289 HydrophobicContact CE3-CD2 4.39Å; W284-L289 HydrophobicContact CH2-CB 4.05Å; W284-L289 HydrophobicContact CH2-CD1 4.1Å; W284-L289 HydrophobicContact CH2-CD2 3.73Å; W284-L289 HydrophobicContact CH2-CG 4.16Å; W284-L289 HydrophobicContact CZ2-CB 3.96Å; W284-L289 HydrophobicContact CZ2-CD1 4.27Å; W284-L289 HydrophobicContact CZ2-CD2 4.47Å; W284-L289 HydrophobicContact CZ2-CG 4.45Å; W284-L289 HydrophobicContact CZ3-CB 4.24Å; W284-L289 HydrophobicContact CZ3-CD2 3.68Å; W284-L289 HydrophobicContact CZ3-CG 4.44Å; W284-L289 PolarHBondContact O-N 3.19Å; L289-A292 PolarHBondContact O-N 3.21Å; L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 PolarHBondContact O-N 3.32Å; L289-I303 HydrophobicContact CD2-CD1 4.15Å; L289-I303 HydrophobicContact CD2-CG2 4.16Å; L289-I303 HydrophobicContact CG-CD1 4.09Å
290	G	98.8	Very high	98.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-54.3	-179.4	0	0	0	0	0	112.9	V285 A292 L293 Q294	V285-G290 WeakPolarHBondContact O-CA 3.33Å; V285-G290 PolarHBondContact O-N 2.91Å; G290-A292 VanDerWaalsContact C-N 3.35Å; G290-A292 PolarHBondContact O-N 2.95Å; G290-L293 PolarHBondContact O-N 2.99Å; G290-Q294 PolarHBondContact O-N 3.34Å
291	P	98.8	Very high	98.6	Very high	37 Å²	37	39.2 Å²	39.2	24%	0.24	22%	0.224	C	C	.	.	H	α-helix	trans	-59.1	-40	175.2	-25.7	34.7	0	0	0	114	A286 S295 Y329	A286-P291 WeakPolarHBondContact O-CG 3.22Å; P291-S295 WeakPolarHBondContact O-CB 3.27Å; P291-S295 PolarHBondContact O-N 3.11Å; P291-S295 VanDerWaalsContact O-N 3.08Å; P291-S295 PolarHBondContact O-OG 2.99Å; P291-Y329 HydrophobicContact CG-CE2 4.06Å
292	A	98.8	Very high	98.6	Very high	12 Å²	12	41.6 Å²	41.6	10%	0.099	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-44	178.1	0	0	0	0	0	111.6	A235 I239 D288 L289 G290 S295 S296	A235-A292 HydrophobicContact CB-CB 4Å; I239-A292 HydrophobicContact CD1-CB 4.45Å; I239-A292 HydrophobicContact CG1-CB 4.12Å; D288-A292 WeakPolarHBondContact O-CB 3.3Å; D288-A292 PolarHBondContact O-N 2.85Å; L289-A292 PolarHBondContact O-N 3.21Å; G290-A292 VanDerWaalsContact C-N 3.35Å; G290-A292 PolarHBondContact O-N 2.95Å; A292-S295 PolarHBondContact O-N 3.42Å; A292-S296 WeakPolarHBondContact O-CB 3.43Å; A292-S296 PolarHBondContact O-N 2.94Å
293	L	98.8	Very high	98.6	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-45.7	179.6	-170.4	62.7	0	0	0	112	I239 L242 L289 G290 S295 S296 H298 T301 I303	I239-L293 HydrophobicContact CD1-CB 4.1Å; I239-L293 HydrophobicContact CD1-CD1 3.66Å; L242-L293 HydrophobicContact CD1-CD1 3.6Å; L289-L293 WeakPolarHBondContact O-CB 3.44Å; L289-L293 PolarHBondContact O-N 3.32Å; G290-L293 PolarHBondContact O-N 2.99Å; L293-S295 PolarHBondContact O-N 2.95Å; L293-S296 WeakPolarHBondContact O-CB 3.4Å; L293-S296 PolarHBondContact O-N 2.91Å; L293-S296 VanDerWaalsContact O-N 3.1Å; L293-S296 PolarHBondContact O-OG 2.88Å; L293-H298 HydrophobicContact CD1-CB 4.35Å; L293-H298 WeakPolarHBondContact CD1-O 3.05Å; L293-T301 VanDerWaalsContact CD2-O 3.27Å; L293-T301 WeakPolarHBondContact CD2-O 3.48Å; L293-I303 HydrophobicContact CD2-CD1 3.78Å; L293-I303 HydrophobicContact CD2-CG1 3.65Å
294	Q	98.2	Very high	98.6	Very high	99 Å²	99	36.8 Å²	36.8	46%	0.463	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-30.3	176.8	-75.5	-67.4	-14.4	0	0	113.4	G290 S296 Y329	G290-Q294 PolarHBondContact O-N 3.34Å; Q294-S296 VanDerWaalsContact C-N 3.34Å; Q294-Y329 HydrophobicContact CG-CD1 3.95Å; Q294-Y329 HydrophobicContact CG-CE1 3.78Å
295	S	98.1	Very high	98.6	Very high	107 Å²	107	36.8 Å²	36.8	75%	0.748	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-4.9	178.5	-52.2	0	0	0	0	113.4	P291 A292 L293	P291-S295 WeakPolarHBondContact O-CB 3.27Å; P291-S295 PolarHBondContact O-N 3.11Å; P291-S295 VanDerWaalsContact O-N 3.08Å; P291-S295 PolarHBondContact O-OG 2.99Å; A292-S295 PolarHBondContact O-N 3.42Å; L293-S295 PolarHBondContact O-N 2.95Å
296	S	98.3	Very high	98.6	Very high	24 Å²	24	36.8 Å²	36.8	17%	0.168	21%	0.214	C	C	.	.	S	Bend	trans	-88.2	-179.7	-177.8	78.1	0	0	0	0	112.5	A292 L293 Q294 H298	A292-S296 WeakPolarHBondContact O-CB 3.43Å; A292-S296 PolarHBondContact O-N 2.94Å; L293-S296 WeakPolarHBondContact O-CB 3.4Å; L293-S296 PolarHBondContact O-N 2.91Å; L293-S296 VanDerWaalsContact O-N 3.1Å; L293-S296 PolarHBondContact O-OG 2.88Å; Q294-S296 VanDerWaalsContact C-N 3.34Å; S296-H298 PolarHBondContact O-N 3.37Å; S296-H298 PolarHBondContact OG-N 3.15Å
297	A	97.7	Very high	98.5	Very high	82 Å²	82	36.4 Å²	36.4	68%	0.678	21%	0.21	S	C	*	.	S	Bend	trans	-73.6	-0.8	168.8	0	0	0	0	0	113.7
298	H	98.1	Very high	98.5	Very high	32 Å²	32	31.9 Å²	31.9	15%	0.148	19%	0.186	C	C	.	.			trans	-124.2	44.4	-174.5	-52.4	-72.2	0	0	0	113.7	L242 L293 S296 H300 T301	L242-H298 HydrophobicContact CB-CB 4.5Å; L242-H298 HydrophobicContact CD1-CB 3.71Å; L293-H298 HydrophobicContact CD1-CB 4.35Å; L293-H298 WeakPolarHBondContact CD1-O 3.05Å; S296-H298 PolarHBondContact O-N 3.37Å; S296-H298 PolarHBondContact OG-N 3.15Å; H298-H300 PolarHBondContact O-N 3.28Å; H298-T301 PolarHBondContact O-N 2.62Å
299	P	97.8	Very high	98.5	Very high	35 Å²	35	32.3 Å²	32.3	23%	0.227	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.7	-173.3	31.9	-38.2	0	0	0	114
300	H	97.7	Very high	98.5	Very high	165 Å²	165	32.5 Å²	32.5	76%	0.764	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-4.3	-180	-58	-54.5	0	0	0	113.9	H298 H302	H298-H300 PolarHBondContact O-N 3.28Å; H300-H302 PolarHBondContact O-CD2 3.39Å; H300-H302 PolarHBondContact O-N 3.47Å
301	T	98.8	Very high	98.4	Very high	9 Å²	9	36 Å²	36	6%	0.055	21%	0.208	C	C	.	.			trans	-69.2	129.6	175.1	-64	0	0	0	0	109.2	L242 F252 L255 L293 H298	L242-T301 HydrophobicContact CD1-CG2 4.36Å; F252-T301 HydrophobicContact CB-CG2 4.38Å; F252-T301 PolarHBondContact O-OG1 2.62Å; F252-T301 VanDerWaalsContact O-OG1 3.1Å; L255-T301 HydrophobicContact CB-CG2 4.49Å; L255-T301 HydrophobicContact CD1-CG2 4.03Å; L255-T301 HydrophobicContact CG-CG2 3.84Å; L293-T301 VanDerWaalsContact CD2-O 3.27Å; L293-T301 WeakPolarHBondContact CD2-O 3.48Å; H298-T301 PolarHBondContact O-N 2.62Å
302	H	98.9	Very high	98.4	Very high	51 Å²	51	36.5 Å²	36.5	24%	0.236	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	149.5	-179.6	-70.1	-162	0	0	0	111	W253 A254 L255 H300 H331 Y360	W253-H302 AromaticContact NE1-CE1 3.68Å; W253-H302 AromaticContact NE1-CG 3.87Å; W253-H302 AromaticContact NE1-ND1 3.37Å; W253-H302 PolarHBondContact NE1-ND1 3.38Å; W253-H302 PolarHBondContact O-N 3.3Å; A254-H302 CarbonylContact C-O 3.48Å; A254-H302 VanDerWaalsContact CA-O 3.3Å; A254-H302 WeakPolarHBondContact CA-O 3.24Å; A254-H302 HydrophobicContact CB-CB 3.9Å; L255-H302 PolarHBondContact N-O 3.31Å; H300-H302 PolarHBondContact O-CD2 3.39Å; H300-H302 PolarHBondContact O-N 3.47Å; H302-H331 HydrophobicContact CB-CB 3.84Å; H302-H331 AromaticContact CD2-CD2 3.38Å; H302-H331 PolarHBondContact CD2-CD2 3.19Å; H302-H331 AromaticContact CD2-NE2 3.68Å; H302-H331 AromaticContact CE1-CD2 3.86Å; H302-H331 AromaticContact CG-CD2 3.47Å; H302-H331 VanDerWaalsContact CG-CD2 3.47Å; H302-H331 AromaticContact CG-CG 3.64Å; H302-H331 AromaticContact ND1-CD2 3.77Å; H302-H331 AromaticContact ND1-CG 3.99Å; H302-H331 AromaticContact NE2-CD2 3.67Å; H302-Y360 AromaticContact ND1-CE1 3.76Å; H302-Y360 AromaticContact ND1-CZ 3.74Å; H302-Y360 PolarHBondContact ND1-OH 2.97Å
303	I	98.9	Very high	98.4	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124	171.3	-60	176.4	0	0	0	108.7	L255 T257 L289 L293 H331	L255-I303 WeakPolarHBondContact O-CA 3.27Å; T257-I303 HydrophobicContact CG2-CG2 3.99Å; L289-I303 HydrophobicContact CD2-CD1 4.15Å; L289-I303 HydrophobicContact CD2-CG2 4.16Å; L289-I303 HydrophobicContact CG-CD1 4.09Å; L293-I303 HydrophobicContact CD2-CD1 3.78Å; L293-I303 HydrophobicContact CD2-CG1 3.65Å; I303-H331 PolarHBondContact N-ND1 3.1Å; I303-H331 PolarHBondContact O-N 3.28Å
304	L	98.9	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.8	173.1	-45	-174.7	0	0	0	110.1	L200 A254 L255 T256 T257 G332 A334 Y360 T364	L200-L304 HydrophobicContact CD1-CD1 3.99Å; A254-L304 HydrophobicContact CB-CD1 4.31Å; A254-L304 HydrophobicContact CB-CG 4.3Å; L255-L304 PolarHBondContact O-N 2.67Å; T256-L304 CarbonylContact C-O 3.59Å; T256-L304 VanDerWaalsContact CA-O 3.23Å; T256-L304 WeakPolarHBondContact CA-O 3.43Å; T256-L304 HydrophobicContact CG2-CB 4.27Å; T257-L304 PolarHBondContact N-O 3.37Å; L304-G332 WeakPolarHBondContact CA-O 3.49Å; L304-A334 HydrophobicContact CB-CB 3.93Å; L304-A334 HydrophobicContact CD1-CB 4.3Å; L304-Y360 HydrophobicContact CD2-CE2 3.54Å; L304-Y360 WeakPolarHBondContact CD2-OH 3.41Å; L304-T364 HydrophobicContact CD1-CG2 4.3Å
305	I	98.8	Very high	98.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	174.6	176.1	63.2	165.2	0	0	0	111.1	T257 D307 V320 L321 I330 G332 V333 A334	T257-I305 HydrophobicContact CG2-CG2 4.02Å; I305-D307 PolarHBondContact O-N 3.03Å; I305-D307 VanDerWaalsContact O-N 3.09Å; I305-V320 HydrophobicContact CD1-CB 3.77Å; I305-V320 HydrophobicContact CD1-CG1 3.78Å; I305-V320 HydrophobicContact CD1-CG2 4.32Å; I305-V320 HydrophobicContact CG2-CG1 4.1Å; I305-L321 HydrophobicContact CD1-CD1 4.38Å; I305-L321 HydrophobicContact CD1-CD2 3.86Å; I305-L321 HydrophobicContact CD1-CG 3.91Å; I305-I330 HydrophobicContact CG1-CG2 4.23Å; I305-I330 HydrophobicContact CG2-CB 4.45Å; I305-I330 HydrophobicContact CG2-CD1 3.51Å; I305-I330 HydrophobicContact CG2-CG1 3.71Å; I305-I330 HydrophobicContact CG2-CG2 3.86Å; I305-G332 PolarHBondContact N-O 3.38Å; I305-G332 VanDerWaalsContact N-O 3.08Å; I305-V333 HydrophobicContact CD1-CG2 4.17Å; I305-V333 HydrophobicContact CG1-CB 4.4Å; I305-V333 HydrophobicContact CG1-CG1 4.4Å; I305-V333 HydrophobicContact CG1-CG2 3.96Å; I305-A334 PolarHBondContact O-N 2.96Å
306	L	98.8	Very high	98.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.7	-86.4	-176.5	-174.4	64.3	0	0	0	113.5	P261 D308 L312 L313 W316 V333 A334 V335	P261-L306 WeakPolarHBondContact CD-O 3Å; P261-L306 VanDerWaalsContact CG-O 3.28Å; P261-L306 WeakPolarHBondContact CG-O 3.31Å; L306-D308 VanDerWaalsContact C-N 3.34Å; L306-D308 HydrophobicContact CD1-CB 3.73Å; L306-D308 HydrophobicContact CG-CB 4.01Å; L306-L312 HydrophobicContact CD1-CB 3.89Å; L306-L312 HydrophobicContact CD1-CD1 3.81Å; L306-L313 HydrophobicContact CD2-CD1 4.04Å; L306-L313 HydrophobicContact CD2-CD2 3.79Å; L306-L313 HydrophobicContact CD2-CG 3.69Å; L306-W316 HydrophobicContact CD1-CB 4.14Å; L306-W316 HydrophobicContact CD1-CD2 3.74Å; L306-W316 HydrophobicContact CD1-CE3 4.07Å; L306-W316 HydrophobicContact CD1-CG 3.78Å; L306-V333 HydrophobicContact CB-CG1 3.9Å; L306-V333 HydrophobicContact CD2-CG1 3.97Å; L306-A334 WeakPolarHBondContact CB-O 3.27Å; L306-A334 WeakPolarHBondContact CG-O 3.4Å; L306-V335 HydrophobicContact CD2-CG1 4.14Å
307	D	98.8	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.5	49.4	-173	-159.6	41.9	0	0	0	111.7	R145 S202 T256 G258 E260 I305 A334 H336 T364	R145-D307 IonicContact CZ-OD2 3.61Å; R145-D307 IonicContact NH2-OD1 2.75Å; R145-D307 IonicContact NH2-OD2 3Å; R145-D307 PolarHBondContact NH2-OD2 3.37Å; S202-D307 PolarHBondContact OG-OD2 3.06Å; S202-D307 VanDerWaalsContact OG-OD2 3.07Å; T256-D307 VanDerWaalsContact CB-OD2 3.3Å; T256-D307 WeakPolarHBondContact CB-OD2 3.29Å; T256-D307 HydrophobicContact CG2-CB 3.94Å; T256-D307 VanDerWaalsContact CG2-CG 3.47Å; T256-D307 WeakPolarHBondContact CG2-OD2 3.33Å; T256-D307 PolarHBondContact OG1-OD2 3.48Å; G258-D307 WeakPolarHBondContact O-CB 3.25Å; E260-D307 WeakPolarHBondContact CA-O 3.23Å; E260-D307 PolarHBondContact N-O 3.44Å; I305-D307 PolarHBondContact O-N 3.03Å; I305-D307 VanDerWaalsContact O-N 3.09Å; D307-A334 HydrophobicContact CB-CB 3.81Å; D307-A334 PolarHBondContact N-O 2.98Å; D307-H336 PolarHBondContact O-CE1 2.69Å; D307-H336 VanDerWaalsContact O-CE1 3.24Å; D307-H336 PolarHBondContact O-NE2 3.11Å; D307-H336 IonicContact OD1-CD2 2.84Å; D307-H336 IonicContact OD1-NE2 3.72Å; D307-H336 PolarHBondContact OD1-NE2 2.88Å; D307-H336 VanDerWaalsContact OD1-NE2 3.1Å; D307-T364 WeakPolarHBondContact OD1-CB 3.27Å; D307-T364 PolarHBondContact OD1-OG1 2.92Å
308	D	98.8	Very high	98.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	178.6	-174.7	-153.2	-37.1	0	0	0	109.4	E260 S262 L306 L312 V335 H336	E260-D308 VanDerWaalsContact CA-OD2 3.28Å; E260-D308 WeakPolarHBondContact CA-OD2 3.4Å; S262-D308 VanDerWaalsContact CB-OD2 3.22Å; S262-D308 WeakPolarHBondContact CB-OD2 3.26Å; S262-D308 PolarHBondContact N-OD2 3.01Å; S262-D308 VanDerWaalsContact N-OD2 3.13Å; S262-D308 PolarHBondContact OG-OD2 3.31Å; L306-D308 VanDerWaalsContact C-N 3.34Å; L306-D308 HydrophobicContact CD1-CB 3.73Å; L306-D308 HydrophobicContact CG-CB 4.01Å; D308-L312 HydrophobicContact CB-CD1 3.83Å; D308-V335 CarbonylContact O-C 3.6Å; D308-V335 WeakPolarHBondContact O-CA 3.04Å; D308-H336 PolarHBondContact O-N 3.41Å
309	N	98.4	Very high	98.6	Very high	14 Å²	14	33.8 Å²	33.8	8%	0.075	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	136.9	-176.4	-67.6	-87.4	0	0	0	113.1	L311 L312 H336 Y338 L339	N309-L311 PolarHBondContact O-N 2.98Å; N309-L312 PolarHBondContact O-N 3.32Å; N309-L312 VanDerWaalsContact O-N 3.08Å; N309-H336 WeakPolarHBondContact CA-O 3.28Å; N309-Y338 WeakPolarHBondContact OD1-CB 3.48Å; N309-Y338 PolarHBondContact OD1-N 2.83Å; N309-L339 HydrophobicContact CB-CB 4.17Å; N309-L339 HydrophobicContact CB-CD1 4.23Å; N309-L339 HydrophobicContact CB-CG 4.37Å; N309-L339 WeakPolarHBondContact OD1-CG 3.26Å; N309-L339 PolarHBondContact OD1-N 3.46Å
310	R	97.6	Very high	98.6	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.015	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-62.2	-14	-179	80.5	-172.2	-170.4	-173.2	0.5	114.3	L312 L313 V335 H336 D340 V343 S348 L349 E394	R310-L312 PolarHBondContact O-N 3.18Å; R310-L313 VanDerWaalsContact O-CB 3.31Å; R310-L313 WeakPolarHBondContact O-CB 3.49Å; R310-L313 PolarHBondContact O-N 2.64Å; R310-V335 HydrophobicContact CB-CB 4.41Å; R310-V335 HydrophobicContact CB-CG1 4.38Å; R310-H336 PolarHBondContact N-O 3.12Å; R310-D340 WeakPolarHBondContact CD-OD1 3.45Å; R310-D340 VanDerWaalsContact CD-OD2 3.3Å; R310-D340 WeakPolarHBondContact CD-OD2 3.25Å; R310-D340 VanDerWaalsContact CG-OD1 3.25Å; R310-D340 WeakPolarHBondContact CG-OD1 3.31Å; R310-D340 IonicContact CZ-OD1 2.98Å; R310-D340 IonicContact CZ-OD2 3.72Å; R310-D340 IonicContact NE-OD1 3.88Å; R310-D340 PolarHBondContact NE-OD1 2.98Å; R310-D340 IonicContact NE-OD2 3.44Å; R310-D340 PolarHBondContact NE-OD2 3.14Å; R310-D340 IonicContact NH1-OD2 2.83Å; R310-D340 PolarHBondContact NH1-OD2 3.05Å; R310-D340 PolarHBondContact NH2-O 2.99Å; R310-D340 IonicContact NH2-OD2 2.65Å; R310-V343 HydrophobicContact CG-CG1 3.73Å; R310-V343 PolarHBondContact NH2-O 2.63Å; R310-S348 VanDerWaalsContact O-CB 3.23Å; R310-S348 WeakPolarHBondContact O-CB 3.2Å; R310-L349 HydrophobicContact CB-CD2 4.2Å; R310-E394 IonicContact CZ-OE2 2.78Å; R310-E394 IonicContact NH1-OE2 3.85Å; R310-E394 PolarHBondContact NH1-OE2 2.84Å; R310-E394 IonicContact NH2-OE2 3.71Å; R310-E394 PolarHBondContact NH2-OE2 2.82Å
311	L	97.9	Very high	98.7	Very high	75 Å²	75	24.7 Å²	24.7	39%	0.393	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-56.5	-27.2	171.3	179	67.6	0	0	0	113.2	N309 L313 L339 L342 V343	N309-L311 PolarHBondContact O-N 2.98Å; L311-L313 PolarHBondContact O-N 3.23Å; L311-L339 HydrophobicContact CD2-CD1 4.37Å; L311-L342 HydrophobicContact CD1-CB 4.41Å; L311-L342 HydrophobicContact CD2-CD1 4.27Å; L311-V343 HydrophobicContact CB-CG1 4.17Å; L311-V343 HydrophobicContact CD1-CB 3.94Å; L311-V343 HydrophobicContact CD1-CG1 4.28Å
312	L	98.6	Very high	98.6	Very high	47 Å²	47	28 Å²	28	25%	0.246	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-76.3	-7.7	178.2	-63.1	172.9	0	0	0	112.7	L306 D308 N309 R310 H315 W316	L306-L312 HydrophobicContact CD1-CB 3.89Å; L306-L312 HydrophobicContact CD1-CD1 3.81Å; D308-L312 HydrophobicContact CB-CD1 3.83Å; N309-L312 PolarHBondContact O-N 3.32Å; N309-L312 VanDerWaalsContact O-N 3.08Å; R310-L312 PolarHBondContact O-N 3.18Å; L312-H315 PolarHBondContact O-N 3.01Å; L312-W316 HydrophobicContact CB-CE3 3.94Å; L312-W316 HydrophobicContact CD1-CE3 3.87Å; L312-W316 HydrophobicContact CD1-CZ3 3.79Å; L312-W316 HydrophobicContact CD2-CE3 4.16Å; L312-W316 HydrophobicContact CD2-CZ3 4.17Å; L312-W316 HydrophobicContact CG-CE3 4.2Å; L312-W316 HydrophobicContact CG-CZ3 4.41Å; L312-W316 WeakPolarHBondContact O-CB 3.42Å; L312-W316 PolarHBondContact O-N 3.24Å
313	L	98.7	Very high	98.6	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.042	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	149.2	175.7	-65.9	179.4	0	0	0	112.3	L306 R310 L311 W316 A317 V333 V335 L349 T352	L306-L313 HydrophobicContact CD2-CD1 4.04Å; L306-L313 HydrophobicContact CD2-CD2 3.79Å; L306-L313 HydrophobicContact CD2-CG 3.69Å; R310-L313 VanDerWaalsContact O-CB 3.31Å; R310-L313 WeakPolarHBondContact O-CB 3.49Å; R310-L313 PolarHBondContact O-N 2.64Å; L311-L313 PolarHBondContact O-N 3.23Å; L313-W316 HydrophobicContact CD2-CB 4.48Å; L313-A317 HydrophobicContact CD2-CB 3.73Å; L313-V333 HydrophobicContact CD1-CG1 4.16Å; L313-V333 HydrophobicContact CD2-CG1 4.05Å; L313-V335 HydrophobicContact CD1-CG1 3.57Å; L313-L349 HydrophobicContact CD1-CD2 4.26Å; L313-T352 WeakPolarHBondContact CB-OG1 3.43Å; L313-T352 HydrophobicContact CD1-CG2 4.48Å; L313-T352 HydrophobicContact CD2-CG2 4.3Å
314	P	98.5	Very high	98.6	Very high	26 Å²	26	32.4 Å²	32.4	17%	0.169	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.3	6.1	2.7	35.5	-36.9	0	0	0	113.9	A317 R318 A351 T352 L355	P314-A317 PolarHBondContact O-N 3.04Å; P314-R318 WeakPolarHBondContact O-CB 3.36Å; P314-R318 PolarHBondContact O-N 3.29Å; P314-A351 HydrophobicContact CB-CB 4.36Å; P314-A351 HydrophobicContact CG-CB 4.13Å; P314-T352 WeakPolarHBondContact CA-OG1 3.47Å; P314-T352 WeakPolarHBondContact CB-OG1 3.17Å; P314-L355 HydrophobicContact CB-CD1 3.99Å; P314-L355 HydrophobicContact CG-CD1 4.4Å
315	H	98.8	Very high	98.6	Very high	105 Å²	105	37.6 Å²	37.6	49%	0.486	19%	0.194	S	C	.	.	H	α-helix	trans	-61	-49.5	-172.9	175.5	63.5	0	0	0	112.5	L312 A317 R318 V319	L312-H315 PolarHBondContact O-N 3.01Å; H315-A317 PolarHBondContact O-N 2.72Å; H315-R318 WeakPolarHBondContact O-CB 3.45Å; H315-R318 PolarHBondContact O-N 2.9Å; H315-R318 VanDerWaalsContact O-N 3.11Å; H315-V319 PolarHBondContact O-N 3.02Å
316	W	98.8	Very high	98.6	Very high	13 Å²	13	37.6 Å²	37.6	5%	0.049	19%	0.194	C	C	.	.	H	α-helix	trans	-59.8	-47	-178.7	-151.3	-68.5	0	0	0	111.9	P261 F276 P278 L306 L312 L313 R318 V319 V320	P261-W316 HydrophobicContact CB-CH2 4.16Å; P261-W316 HydrophobicContact CB-CZ2 3.93Å; P261-W316 HydrophobicContact CG-CH2 3.95Å; P261-W316 HydrophobicContact CG-CZ2 3.63Å; F276-W316 VanDerWaalsContact O-CH2 3.29Å; F276-W316 WeakPolarHBondContact O-CH2 2.88Å; F276-W316 WeakPolarHBondContact O-CZ2 3.38Å; P278-W316 HydrophobicContact CB-CD2 3.8Å; P278-W316 HydrophobicContact CB-CE3 4.42Å; P278-W316 HydrophobicContact CB-CG 3.86Å; P278-W316 HydrophobicContact CB-CZ2 4.42Å; P278-W316 HydrophobicContact CG-CD2 4.36Å; P278-W316 HydrophobicContact CG-CE3 4.5Å; L306-W316 HydrophobicContact CD1-CB 4.14Å; L306-W316 HydrophobicContact CD1-CD2 3.74Å; L306-W316 HydrophobicContact CD1-CE3 4.07Å; L306-W316 HydrophobicContact CD1-CG 3.78Å; L312-W316 HydrophobicContact CB-CE3 3.94Å; L312-W316 HydrophobicContact CD1-CE3 3.87Å; L312-W316 HydrophobicContact CD1-CZ3 3.79Å; L312-W316 HydrophobicContact CD2-CE3 4.16Å; L312-W316 HydrophobicContact CD2-CZ3 4.17Å; L312-W316 HydrophobicContact CG-CE3 4.2Å; L312-W316 HydrophobicContact CG-CZ3 4.41Å; L312-W316 WeakPolarHBondContact O-CB 3.42Å; L312-W316 PolarHBondContact O-N 3.24Å; L313-W316 HydrophobicContact CD2-CB 4.48Å; W316-R318 VanDerWaalsContact C-N 3.32Å; W316-R318 PolarHBondContact O-N 3.15Å; W316-V319 PolarHBondContact O-N 2.81Å; W316-V320 WeakPolarHBondContact O-CG2 3.47Å; W316-V320 PolarHBondContact O-N 3.3Å; W316-V320 VanDerWaalsContact O-N 3.13Å
317	A	98.8	Very high	98.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-58.9	-42.3	174.7	0	0	0	0	0	111.7	L313 P314 H315 V319 V320 L321 T352 F356	L313-A317 HydrophobicContact CD2-CB 3.73Å; P314-A317 PolarHBondContact O-N 3.04Å; H315-A317 PolarHBondContact O-N 2.72Å; A317-V319 PolarHBondContact O-N 2.8Å; A317-V320 PolarHBondContact O-N 3.34Å; A317-L321 HydrophobicContact CB-CD1 4.1Å; A317-L321 WeakPolarHBondContact O-CB 3.2Å; A317-L321 WeakPolarHBondContact O-CG 3.34Å; A317-L321 PolarHBondContact O-N 3.16Å; A317-T352 HydrophobicContact CB-CG2 3.7Å; A317-F356 HydrophobicContact CB-CD2 4.16Å; A317-F356 HydrophobicContact CB-CE2 4.24Å
318	R	98.8	Very high	98.5	Very high	127 Å²	127	44.6 Å²	44.6	48%	0.479	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-46.3	177.8	-172.1	-175.6	-60.4	158.9	3.8	112.4	P314 H315 W316 V320 S322 F356	P314-R318 WeakPolarHBondContact O-CB 3.36Å; P314-R318 PolarHBondContact O-N 3.29Å; H315-R318 WeakPolarHBondContact O-CB 3.45Å; H315-R318 PolarHBondContact O-N 2.9Å; H315-R318 VanDerWaalsContact O-N 3.11Å; W316-R318 VanDerWaalsContact C-N 3.32Å; W316-R318 PolarHBondContact O-N 3.15Å; R318-V320 VanDerWaalsContact C-N 3.35Å; R318-S322 WeakPolarHBondContact O-CB 3.3Å; R318-S322 PolarHBondContact O-N 3.11Å; R318-S322 PolarHBondContact O-OG 3.4Å; R318-F356 HydrophobicContact CB-CE2 4.34Å; R318-F356 HydrophobicContact CB-CZ 4.49Å
319	V	98.8	Very high	98.5	Very high	24 Å²	24	46.1 Å²	46.1	15%	0.145	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-43.2	-178.8	171.7	0	0	0	0	111	P278 E279 R282 H315 W316 A317	P278-V319 HydrophobicContact CB-CB 3.83Å; P278-V319 HydrophobicContact CB-CG1 3.74Å; P278-V319 HydrophobicContact CB-CG2 4.29Å; P278-V319 HydrophobicContact CG-CB 4.35Å; P278-V319 HydrophobicContact CG-CG1 4.22Å; P278-V319 HydrophobicContact CG-CG2 4.28Å; E279-V319 HydrophobicContact CG-CG1 3.88Å; R282-V319 WeakPolarHBondContact CD-O 3.46Å; H315-V319 PolarHBondContact O-N 3.02Å; W316-V319 PolarHBondContact O-N 2.81Å; A317-V319 PolarHBondContact O-N 2.8Å
320	V	98.8	Very high	98.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-82.5	-48.5	-173.4	-177.5	0	0	0	0	112.6	P278 R282 I305 W316 A317 R318 D323 A326 I330	P278-V320 HydrophobicContact CB-CG2 4.41Å; P278-V320 WeakPolarHBondContact O-CG2 3.41Å; R282-V320 HydrophobicContact CB-CB 4.35Å; R282-V320 HydrophobicContact CB-CG1 4.21Å; R282-V320 HydrophobicContact CB-CG2 4.13Å; I305-V320 HydrophobicContact CD1-CB 3.77Å; I305-V320 HydrophobicContact CD1-CG1 3.78Å; I305-V320 HydrophobicContact CD1-CG2 4.32Å; I305-V320 HydrophobicContact CG2-CG1 4.1Å; W316-V320 WeakPolarHBondContact O-CG2 3.47Å; W316-V320 PolarHBondContact O-N 3.3Å; W316-V320 VanDerWaalsContact O-N 3.13Å; A317-V320 PolarHBondContact O-N 3.34Å; R318-V320 VanDerWaalsContact C-N 3.35Å; V320-D323 PolarHBondContact O-N 3.48Å; V320-A326 HydrophobicContact CG1-CB 4.48Å; V320-I330 HydrophobicContact CG1-CD1 3.42Å; V320-I330 VanDerWaalsContact CG1-CD1 3.42Å
321	L	98.8	Very high	98.6	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.047	24%	0.238	C	C	.	.	H	α-helix	trans	-81	-17.6	-171.9	-58.5	177.8	0	0	0	113.7	I305 A317 D323 A327 I330 V333 F356 Y359	I305-L321 HydrophobicContact CD1-CD1 4.38Å; I305-L321 HydrophobicContact CD1-CD2 3.86Å; I305-L321 HydrophobicContact CD1-CG 3.91Å; A317-L321 HydrophobicContact CB-CD1 4.1Å; A317-L321 WeakPolarHBondContact O-CB 3.2Å; A317-L321 WeakPolarHBondContact O-CG 3.34Å; A317-L321 PolarHBondContact O-N 3.16Å; L321-D323 PolarHBondContact O-N 3.13Å; L321-A327 WeakPolarHBondContact O-CB 3.23Å; L321-I330 HydrophobicContact CD2-CB 4.07Å; L321-I330 HydrophobicContact CD2-CD1 3.83Å; L321-I330 HydrophobicContact CD2-CG2 3.73Å; L321-V333 HydrophobicContact CD1-CG2 4.13Å; L321-F356 HydrophobicContact CB-CD1 3.78Å; L321-F356 HydrophobicContact CB-CD2 4.47Å; L321-F356 HydrophobicContact CB-CE1 3.73Å; L321-F356 HydrophobicContact CB-CE2 4.43Å; L321-F356 HydrophobicContact CB-CG 4.17Å; L321-F356 HydrophobicContact CB-CZ 4.08Å; L321-F356 HydrophobicContact CD1-CB 3.9Å; L321-F356 HydrophobicContact CD1-CD1 4.18Å; L321-F356 HydrophobicContact CD1-CD2 3.97Å; L321-F356 HydrophobicContact CD1-CG 3.75Å; L321-Y359 HydrophobicContact CB-CE2 4.41Å; L321-Y359 HydrophobicContact CD1-CD2 3.87Å; L321-Y359 HydrophobicContact CD1-CE2 4.35Å; L321-Y359 HydrophobicContact CD1-CG 4.01Å; L321-Y359 HydrophobicContact CD2-CD1 4Å; L321-Y359 HydrophobicContact CD2-CD2 4.3Å; L321-Y359 HydrophobicContact CD2-CE1 3.99Å; L321-Y359 HydrophobicContact CD2-CE2 4.23Å; L321-Y359 HydrophobicContact CD2-CG 4.18Å
322	S	98.5	Very high	98.6	Very high	80 Å²	80	44.8 Å²	44.8	56%	0.559	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.2	173.6	-53.6	0	0	0	0	112.9	R318	R318-S322 WeakPolarHBondContact O-CB 3.3Å; R318-S322 PolarHBondContact O-N 3.11Å; R318-S322 PolarHBondContact O-OG 3.4Å
323	D	98.6	Very high	98.7	Very high	43 Å²	43	42.6 Å²	42.6	23%	0.23	21%	0.208	C	C	.	.			trans	-95.6	107.4	174.5	-171.5	-34	0	0	0	110.8	R282 V320 L321 H325 A326 A327	R282-D323 HydrophobicContact CG-CB 3.91Å; R282-D323 IonicContact NE-OD2 3.53Å; V320-D323 PolarHBondContact O-N 3.48Å; L321-D323 PolarHBondContact O-N 3.13Å; D323-H325 PolarHBondContact O-N 2.71Å; D323-H325 VanDerWaalsContact O-N 3.09Å; D323-H325 VanDerWaalsContact OD1-CB 3.31Å; D323-H325 WeakPolarHBondContact OD1-CB 3.49Å; D323-H325 IonicContact OD1-CD2 3.81Å; D323-H325 IonicContact OD1-CG 2.81Å; D323-H325 PolarHBondContact OD1-N 2.96Å; D323-A326 PolarHBondContact O-N 3.18Å; D323-A327 VanDerWaalsContact O-CB 3.24Å; D323-A327 WeakPolarHBondContact O-CB 3.23Å; D323-A327 PolarHBondContact O-N 3Å
324	V	98.3	Very high	98.7	Very high	103 Å²	103	42.2 Å²	42.2	62%	0.624	21%	0.206	S	C	*	.	H	α-helix	trans	-52.4	-30.1	178.6	41.5	0	0	0	0	113.9	R328	V324-R328 WeakPolarHBondContact O-CG 3.24Å; V324-R328 PolarHBondContact O-N 3.33Å
325	H	98.4	Very high	98.7	Very high	108 Å²	108	41.2 Å²	41.2	50%	0.5	20%	0.199	S	C	.	.	H	α-helix	trans	-72.2	-30.9	-179.6	-63.1	-62.6	0	0	0	112.9	A286 D323 R328 Y329	A286-H325 HydrophobicContact CB-CB 4.05Å; D323-H325 PolarHBondContact O-N 2.71Å; D323-H325 VanDerWaalsContact O-N 3.09Å; D323-H325 VanDerWaalsContact OD1-CB 3.31Å; D323-H325 WeakPolarHBondContact OD1-CB 3.49Å; D323-H325 IonicContact OD1-CD2 3.81Å; D323-H325 IonicContact OD1-CG 2.81Å; D323-H325 PolarHBondContact OD1-N 2.96Å; H325-R328 PolarHBondContact O-NE 3.02Å; H325-Y329 WeakPolarHBondContact O-CD2 3.48Å; H325-Y329 WeakPolarHBondContact O-CE2 3.3Å
326	A	98.5	Very high	98.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-85.8	-50.3	171.7	0	0	0	0	0	111.1	R282 V285 A286 V320 D323 R328 Y329 I330	R282-A326 HydrophobicContact CG-CB 3.78Å; R282-A326 WeakPolarHBondContact O-CB 3.35Å; V285-A326 HydrophobicContact CG1-CB 4.38Å; A286-A326 HydrophobicContact CB-CB 4.05Å; V320-A326 HydrophobicContact CG1-CB 4.48Å; D323-A326 PolarHBondContact O-N 3.18Å; A326-R328 VanDerWaalsContact C-N 3.26Å; A326-R328 PolarHBondContact O-N 3.19Å; A326-R328 VanDerWaalsContact O-N 3.14Å; A326-Y329 PolarHBondContact O-N 3Å; A326-I330 HydrophobicContact CB-CD1 4.28Å
327	A	98.5	Very high	98.6	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-54.6	-38	-170.6	0	0	0	0	0	113.1	L321 D323 Y329 I330 Y359	L321-A327 WeakPolarHBondContact O-CB 3.23Å; D323-A327 VanDerWaalsContact O-CB 3.24Å; D323-A327 WeakPolarHBondContact O-CB 3.23Å; D323-A327 PolarHBondContact O-N 3Å; A327-Y329 PolarHBondContact O-N 3.18Å; A327-I330 PolarHBondContact O-N 2.58Å; A327-Y359 WeakPolarHBondContact CB-OH 3.47Å; A327-Y359 PolarHBondContact O-OH 3.07Å
328	R	98.3	Very high	98.4	Very high	143 Å²	143	38.3 Å²	38.3	54%	0.54	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.6	176.7	68	-176.9	170.6	167.5	-1.5	115.7	V324 H325 A326	V324-R328 WeakPolarHBondContact O-CG 3.24Å; V324-R328 PolarHBondContact O-N 3.33Å; H325-R328 PolarHBondContact O-NE 3.02Å; A326-R328 VanDerWaalsContact C-N 3.26Å; A326-R328 PolarHBondContact O-N 3.19Å; A326-R328 VanDerWaalsContact O-N 3.14Å
329	Y	98.8	Very high	98.1	Very high	33 Å²	33	35.1 Å²	35.1	13%	0.129	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-13	177.5	-60.4	-58	0	0	0	112.7	P291 Q294 H325 A326 A327 H331	P291-Y329 HydrophobicContact CG-CE2 4.06Å; Q294-Y329 HydrophobicContact CG-CD1 3.95Å; Q294-Y329 HydrophobicContact CG-CE1 3.78Å; H325-Y329 WeakPolarHBondContact O-CD2 3.48Å; H325-Y329 WeakPolarHBondContact O-CE2 3.3Å; A326-Y329 PolarHBondContact O-N 3Å; A327-Y329 PolarHBondContact O-N 3.18Å; Y329-H331 PolarHBondContact O-CE1 2.84Å; Y329-H331 PolarHBondContact O-ND1 3.45Å; Y329-H331 VanDerWaalsContact O-ND1 3.14Å
330	I	98.9	Very high	97.9	Very high	9 Å²	9	34.7 Å²	34.7	5%	0.046	17%	0.173	C	C	.	.			trans	-92.2	141.1	-172.5	-62.1	163.3	0	0	0	109.1	V285 I305 V320 L321 A326 A327 G332 Y359	V285-I330 HydrophobicContact CG1-CD1 4.12Å; V285-I330 HydrophobicContact CG1-CG1 3.9Å; I305-I330 HydrophobicContact CG1-CG2 4.23Å; I305-I330 HydrophobicContact CG2-CB 4.45Å; I305-I330 HydrophobicContact CG2-CD1 3.51Å; I305-I330 HydrophobicContact CG2-CG1 3.71Å; I305-I330 HydrophobicContact CG2-CG2 3.86Å; V320-I330 HydrophobicContact CG1-CD1 3.42Å; V320-I330 VanDerWaalsContact CG1-CD1 3.42Å; L321-I330 HydrophobicContact CD2-CB 4.07Å; L321-I330 HydrophobicContact CD2-CD1 3.83Å; L321-I330 HydrophobicContact CD2-CG2 3.73Å; A326-I330 HydrophobicContact CB-CD1 4.28Å; A327-I330 PolarHBondContact O-N 2.58Å; I330-G332 WeakPolarHBondContact CG2-O 3.24Å; I330-Y359 HydrophobicContact CB-CD1 4.42Å; I330-Y359 HydrophobicContact CB-CE1 4.23Å; I330-Y359 HydrophobicContact CG2-CD1 4.1Å; I330-Y359 HydrophobicContact CG2-CE1 4.4Å; I330-Y359 VanDerWaalsContact O-CE1 3.28Å; I330-Y359 WeakPolarHBondContact O-CE1 3.31Å
331	H	98.8	Very high	97.6	Very high	57 Å²	57	41.3 Å²	41.3	26%	0.264	21%	0.214	S	C	.	.			trans	-111.9	-27.9	-179.4	-63.7	67.9	0	0	0	111.7	H302 I303 Y329 Y360	H302-H331 HydrophobicContact CB-CB 3.84Å; H302-H331 AromaticContact CD2-CD2 3.38Å; H302-H331 PolarHBondContact CD2-CD2 3.19Å; H302-H331 AromaticContact CD2-NE2 3.68Å; H302-H331 AromaticContact CE1-CD2 3.86Å; H302-H331 AromaticContact CG-CD2 3.47Å; H302-H331 VanDerWaalsContact CG-CD2 3.47Å; H302-H331 AromaticContact CG-CG 3.64Å; H302-H331 AromaticContact ND1-CD2 3.77Å; H302-H331 AromaticContact ND1-CG 3.99Å; H302-H331 AromaticContact NE2-CD2 3.67Å; I303-H331 PolarHBondContact N-ND1 3.1Å; I303-H331 PolarHBondContact O-N 3.28Å; Y329-H331 PolarHBondContact O-CE1 2.84Å; Y329-H331 PolarHBondContact O-ND1 3.45Å; Y329-H331 VanDerWaalsContact O-ND1 3.14Å; H331-Y360 HydrophobicContact CB-CE1 3.89Å; H331-Y360 WeakPolarHBondContact O-CD1 3.38Å; H331-Y360 VanDerWaalsContact O-CE1 3.22Å; H331-Y360 WeakPolarHBondContact O-CE1 3.38Å; H331-Y360 PolarHBondContact O-N 3.3Å
332	G	98.8	Very high	97.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-178.2	-178	0	0	0	0	0	114	L304 I305 I330 Y360	L304-G332 WeakPolarHBondContact CA-O 3.49Å; I305-G332 PolarHBondContact N-O 3.38Å; I305-G332 VanDerWaalsContact N-O 3.08Å; I330-G332 WeakPolarHBondContact CG2-O 3.24Å; G332-Y360 CarbonylContact C-O 3.56Å; G332-Y360 WeakPolarHBondContact CA-O 3.05Å
333	V	98.9	Very high	97.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.8	178.1	-174.1	0	0	0	0	108.3	I305 L306 L313 L321 V335 Y360 L361 F362	I305-V333 HydrophobicContact CD1-CG2 4.17Å; I305-V333 HydrophobicContact CG1-CB 4.4Å; I305-V333 HydrophobicContact CG1-CG1 4.4Å; I305-V333 HydrophobicContact CG1-CG2 3.96Å; L306-V333 HydrophobicContact CB-CG1 3.9Å; L306-V333 HydrophobicContact CD2-CG1 3.97Å; L313-V333 HydrophobicContact CD1-CG1 4.16Å; L313-V333 HydrophobicContact CD2-CG1 4.05Å; L321-V333 HydrophobicContact CD1-CG2 4.13Å; V333-V335 HydrophobicContact CG1-CG1 4.45Å; V333-Y360 PolarHBondContact N-O 3Å; V333-L361 HydrophobicContact CB-CD2 3.75Å; V333-L361 HydrophobicContact CG1-CD2 4.48Å; V333-L361 HydrophobicContact CG2-CD2 4.13Å; V333-L361 WeakPolarHBondContact O-CA 3.26Å; V333-F362 PolarHBondContact O-N 2.88Å
334	A	98.9	Very high	97.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	136.3	176.1	0	0	0	0	0	110.3	T256 L304 I305 L306 D307 F362 T364	T256-A334 HydrophobicContact CG2-CB 4.29Å; L304-A334 HydrophobicContact CB-CB 3.93Å; L304-A334 HydrophobicContact CD1-CB 4.3Å; I305-A334 PolarHBondContact O-N 2.96Å; L306-A334 WeakPolarHBondContact CB-O 3.27Å; L306-A334 WeakPolarHBondContact CG-O 3.4Å; D307-A334 HydrophobicContact CB-CB 3.81Å; D307-A334 PolarHBondContact N-O 2.98Å; A334-F362 WeakPolarHBondContact CA-O 3.49Å; A334-T364 HydrophobicContact CB-CG2 3.38Å
335	V	98.8	Very high	97.1	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145.8	-177.5	-65.1	0	0	0	0	112.7	L306 D308 R310 L313 V333 L349 F362 G363 T364	L306-V335 HydrophobicContact CD2-CG1 4.14Å; D308-V335 CarbonylContact O-C 3.6Å; D308-V335 WeakPolarHBondContact O-CA 3.04Å; R310-V335 HydrophobicContact CB-CB 4.41Å; R310-V335 HydrophobicContact CB-CG1 4.38Å; L313-V335 HydrophobicContact CD1-CG1 3.57Å; V333-V335 HydrophobicContact CG1-CG1 4.45Å; V335-L349 HydrophobicContact CB-CD2 4.43Å; V335-L349 HydrophobicContact CG1-CD2 3.95Å; V335-L349 HydrophobicContact CG2-CD2 4.08Å; V335-F362 PolarHBondContact N-O 3.09Å; V335-G363 WeakPolarHBondContact O-CA 3.26Å; V335-T364 PolarHBondContact O-N 2.96Å; V335-T364 VanDerWaalsContact O-N 3.07Å; V335-T364 PolarHBondContact O-OG1 2.95Å
336	H	98.7	Very high	97.1	Very high	3 Å²	3	40 Å²	40	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	156.2	173.9	-60	-171.2	0	0	0	111.1	E260 D307 D308 N309 R310 Y338 T364 E365	E260-H336 IonicContact OE1-CE1 3.37Å; E260-H336 IonicContact OE1-ND1 2.86Å; E260-H336 PolarHBondContact OE1-ND1 3.39Å; E260-H336 VanDerWaalsContact OE1-ND1 3.15Å; D307-H336 PolarHBondContact O-CE1 2.69Å; D307-H336 VanDerWaalsContact O-CE1 3.24Å; D307-H336 PolarHBondContact O-NE2 3.11Å; D307-H336 IonicContact OD1-CD2 2.84Å; D307-H336 IonicContact OD1-NE2 3.72Å; D307-H336 PolarHBondContact OD1-NE2 2.88Å; D307-H336 VanDerWaalsContact OD1-NE2 3.1Å; D308-H336 PolarHBondContact O-N 3.41Å; N309-H336 WeakPolarHBondContact CA-O 3.28Å; R310-H336 PolarHBondContact N-O 3.12Å; H336-Y338 HydrophobicContact CB-CD2 4.21Å; H336-Y338 HydrophobicContact CB-CE2 4.35Å; H336-T364 PolarHBondContact CD2-OG1 3.3Å; H336-T364 VanDerWaalsContact CD2-OG1 3.31Å; H336-T364 PolarHBondContact NE2-OG1 3.03Å; H336-E365 WeakPolarHBondContact CA-O 3.22Å; H336-E365 IonicContact CE1-OE2 3Å; H336-E365 PolarHBondContact CE1-OE2 2.84Å; H336-E365 IonicContact ND1-OE2 3.74Å; H336-E365 IonicContact NE2-OE2 3.18Å
337	W	96.9	Very high	97.1	Very high	29 Å²	29	42.4 Å²	42.4	11%	0.11	22%	0.223	C	C	.	.			trans	-90.1	-21.5	-171.2	169.4	37	0	0	0	116	L339 D340 A366 Q387 Y388 D391 W403	W337-L339 VanDerWaalsContact C-N 3.25Å; W337-L339 PolarHBondContact O-N 2.8Å; W337-D340 VanDerWaalsContact O-CB 3.25Å; W337-D340 WeakPolarHBondContact O-CB 3.28Å; W337-D340 PolarHBondContact O-N 2.71Å; W337-D340 VanDerWaalsContact O-OD1 3.07Å; W337-A366 HydrophobicContact CB-CB 4.02Å; W337-A366 HydrophobicContact CD2-CB 4.38Å; W337-A366 HydrophobicContact CE3-CB 3.57Å; W337-A366 HydrophobicContact CZ3-CB 4.36Å; W337-Q387 HydrophobicContact CH2-CB 3.61Å; W337-Q387 HydrophobicContact CZ2-CB 3.72Å; W337-Y388 AromaticContact CH2-CD2 3.89Å; W337-Y388 HydrophobicContact CH2-CD2 3.89Å; W337-Y388 HydrophobicContact CH2-CE2 4.28Å; W337-Y388 AromaticContact CZ3-CD2 3.78Å; W337-Y388 HydrophobicContact CZ3-CD2 3.78Å; W337-Y388 AromaticContact CZ3-CE2 3.82Å; W337-Y388 HydrophobicContact CZ3-CE2 3.82Å; W337-D391 VanDerWaalsContact CD1-CG 3.49Å; W337-D391 HydrophobicContact CD2-CB 4.27Å; W337-D391 HydrophobicContact CZ2-CB 4.12Å; W337-D391 PolarHBondContact NE1-OD1 3.25Å; W337-W403 HydrophobicContact CE3-CZ2 4.33Å
338	Y	94.3	Very high	97.1	Very high	27 Å²	27	42.2 Å²	42.2	11%	0.106	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.9	-159.1	-52.6	-62.5	0	0	0	116.1	N309 H336 E365 C367 W370	N309-Y338 WeakPolarHBondContact OD1-CB 3.48Å; N309-Y338 PolarHBondContact OD1-N 2.83Å; H336-Y338 HydrophobicContact CB-CD2 4.21Å; H336-Y338 HydrophobicContact CB-CE2 4.35Å; Y338-E365 HydrophobicContact CE2-CG 4.01Å; Y338-E365 VanDerWaalsContact CE2-OE1 3.27Å; Y338-E365 WeakPolarHBondContact CE2-OE1 3.28Å; Y338-E365 VanDerWaalsContact OH-CG 3.24Å; Y338-E365 WeakPolarHBondContact OH-CG 3.22Å; Y338-E365 PolarHBondContact OH-OE1 3.23Å; Y338-C367 WeakPolarHBondContact CE1-SG 3.44Å; Y338-C367 PolarHBondContact OH-SG 2.71Å; Y338-W370 HydrophobicContact CD1-CB 4.28Å; Y338-W370 AromaticContact CD1-CD1 3.65Å; Y338-W370 AromaticContact CD1-CD2 3.77Å; Y338-W370 HydrophobicContact CD1-CD2 3.77Å; Y338-W370 AromaticContact CD1-CE2 3.92Å; Y338-W370 HydrophobicContact CD1-CE3 4.47Å; Y338-W370 AromaticContact CD1-CG 3.63Å; Y338-W370 HydrophobicContact CD1-CG 3.63Å; Y338-W370 AromaticContact CD1-NE1 3.77Å; Y338-W370 HydrophobicContact CE1-CB 4.27Å; Y338-W370 HydrophobicContact CE1-CG 4.04Å; Y338-W370 HydrophobicContact CG-CD2 4.35Å; Y338-W370 WeakPolarHBondContact O-CH2 3.39Å; Y338-W370 WeakPolarHBondContact O-CZ2 3.31Å
339	L	93.9	Very high	97.1	Very high	60 Å²	60	35.4 Å²	35.4	31%	0.314	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	20.1	-179.3	-61.9	-178.4	0	0	0	114.1	N309 L311 W337 T341 L342 W370	N309-L339 HydrophobicContact CB-CB 4.17Å; N309-L339 HydrophobicContact CB-CD1 4.23Å; N309-L339 HydrophobicContact CB-CG 4.37Å; N309-L339 WeakPolarHBondContact OD1-CG 3.26Å; N309-L339 PolarHBondContact OD1-N 3.46Å; L311-L339 HydrophobicContact CD2-CD1 4.37Å; W337-L339 VanDerWaalsContact C-N 3.25Å; W337-L339 PolarHBondContact O-N 2.8Å; L339-T341 PolarHBondContact O-N 3.14Å; L339-L342 HydrophobicContact CB-CD1 4.17Å; L339-L342 HydrophobicContact CD2-CD1 4.09Å; L339-L342 WeakPolarHBondContact O-CB 3.29Å; L339-L342 PolarHBondContact O-N 2.91Å; L339-W370 HydrophobicContact CD2-CH2 4.49Å
340	D	93.4	Very high	97.1	Very high	14 Å²	14	33.8 Å²	33.8	8%	0.075	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-65.1	-25.9	-171.6	-79.3	17.2	0	0	0	114.2	R310 W337 L342 V343	R310-D340 WeakPolarHBondContact CD-OD1 3.45Å; R310-D340 VanDerWaalsContact CD-OD2 3.3Å; R310-D340 WeakPolarHBondContact CD-OD2 3.25Å; R310-D340 VanDerWaalsContact CG-OD1 3.25Å; R310-D340 WeakPolarHBondContact CG-OD1 3.31Å; R310-D340 IonicContact CZ-OD1 2.98Å; R310-D340 IonicContact CZ-OD2 3.72Å; R310-D340 IonicContact NE-OD1 3.88Å; R310-D340 PolarHBondContact NE-OD1 2.98Å; R310-D340 IonicContact NE-OD2 3.44Å; R310-D340 PolarHBondContact NE-OD2 3.14Å; R310-D340 IonicContact NH1-OD2 2.83Å; R310-D340 PolarHBondContact NH1-OD2 3.05Å; R310-D340 PolarHBondContact NH2-O 2.99Å; R310-D340 IonicContact NH2-OD2 2.65Å; W337-D340 VanDerWaalsContact O-CB 3.25Å; W337-D340 WeakPolarHBondContact O-CB 3.28Å; W337-D340 PolarHBondContact O-N 2.71Å; W337-D340 VanDerWaalsContact O-OD1 3.07Å; D340-L342 PolarHBondContact O-N 2.96Å; D340-V343 CarbonylContact O-C 3.54Å; D340-V343 PolarHBondContact O-N 3.04Å
341	T	92.1	Very high	97.1	Very high	140 Å²	140	34.4 Å²	34.4	86%	0.859	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-65.7	-16.7	173.8	61	0	0	0	0	113.6	L339	L339-T341 PolarHBondContact O-N 3.14Å
342	L	95	Very high	97.1	Very high	112 Å²	112	31.8 Å²	31.8	59%	0.586	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-87.9	-14.3	179.8	-55.4	-176.1	0	0	0	112.9	L311 L339 D340	L311-L342 HydrophobicContact CD1-CB 4.41Å; L311-L342 HydrophobicContact CD2-CD1 4.27Å; L339-L342 HydrophobicContact CB-CD1 4.17Å; L339-L342 HydrophobicContact CD2-CD1 4.09Å; L339-L342 WeakPolarHBondContact O-CB 3.29Å; L339-L342 PolarHBondContact O-N 2.91Å; D340-L342 PolarHBondContact O-N 2.96Å
343	V	96	Very high	97.1	Very high	17 Å²	17	33.7 Å²	33.7	10%	0.103	19%	0.192	C	C	.	.	S	Bend	trans	-145.5	126.9	-176.3	65.2	0	0	0	0	111.7	R310 L311 D340 A345 A347	R310-V343 HydrophobicContact CG-CG1 3.73Å; R310-V343 PolarHBondContact NH2-O 2.63Å; L311-V343 HydrophobicContact CB-CG1 4.17Å; L311-V343 HydrophobicContact CD1-CB 3.94Å; L311-V343 HydrophobicContact CD1-CG1 4.28Å; D340-V343 CarbonylContact O-C 3.54Å; D340-V343 PolarHBondContact O-N 3.04Å; V343-A345 PolarHBondContact O-N 3.03Å; V343-A347 HydrophobicContact CG2-CB 4.36Å
344	P	96.6	Very high	97.1	Very high	92 Å²	92	39.5 Å²	39.5	60%	0.597	22%	0.219	S	C	*	.			trans	-62.1	137.1	170.8	-21.1	32.8	0	0	0	111.4	E346 A347 S348	P344-E346 PolarHBondContact O-N 3.31Å; P344-A347 PolarHBondContact O-N 3.16Å; P344-S348 PolarHBondContact O-N 3.2Å; P344-S348 PolarHBondContact O-OG 3.19Å
345	A	97.6	Very high	97.1	Very high	2 Å²	2	43.4 Å²	43.4	2%	0.017	24%	0.24	C	C	.	.	H	α-helix	trans	-54.5	-35.9	179.5	0	0	0	0	0	113.9	V343 A347 S348 L349 G350 E394 H398	V343-A345 PolarHBondContact O-N 3.03Å; A345-A347 VanDerWaalsContact C-N 3.31Å; A345-A347 PolarHBondContact O-N 3.23Å; A345-S348 CarbonylContact O-C 3.53Å; A345-S348 PolarHBondContact O-N 2.87Å; A345-S348 PolarHBondContact O-OG 2.9Å; A345-L349 HydrophobicContact CB-CD1 4.23Å; A345-L349 WeakPolarHBondContact O-CA 3.48Å; A345-L349 WeakPolarHBondContact O-CB 3.37Å; A345-L349 PolarHBondContact O-N 3.08Å; A345-G350 PolarHBondContact O-N 2.72Å; A345-E394 HydrophobicContact CB-CG 3.53Å; A345-H398 HydrophobicContact CB-CB 4.42Å; A345-H398 WeakPolarHBondContact CB-ND1 3.46Å
346	E	98.1	Very high	97.1	Very high	91 Å²	91	44.1 Å²	44.1	43%	0.425	24%	0.243	S	C	.	.	I	π-helix	trans	-63.1	-36.7	176.8	-176.7	59.5	-158.1	0	0	112.3	P344 S348 G350 A351 Q354 H398	P344-E346 PolarHBondContact O-N 3.31Å; E346-S348 VanDerWaalsContact C-N 3.32Å; E346-G350 CarbonylContact O-C 3.53Å; E346-G350 WeakPolarHBondContact O-CA 3.48Å; E346-A351 PolarHBondContact O-N 2.94Å; E346-Q354 PolarHBondContact OE1-NE2 3.28Å; E346-H398 IonicContact OE2-CD2 3.67Å; E346-H398 PolarHBondContact OE2-CD2 2.87Å; E346-H398 IonicContact OE2-NE2 3.74Å
347	A	97.8	Very high	97	Very high	52 Å²	52	47.6 Å²	47.6	43%	0.43	27%	0.265	S	S	.	.	I	π-helix	trans	-76.6	-20.3	-179.5	0	0	0	0	0	113.1	V343 P344 A345 A351	V343-A347 HydrophobicContact CG2-CB 4.36Å; P344-A347 PolarHBondContact O-N 3.16Å; A345-A347 VanDerWaalsContact C-N 3.31Å; A345-A347 PolarHBondContact O-N 3.23Å; A347-A351 WeakPolarHBondContact O-CB 3.32Å
348	S	98.4	Very high	97.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.288	C	S	.	.	I	π-helix	trans	-104.9	-77.2	178	53	0	0	0	0	111.6	R310 P344 A345 E346 T352	R310-S348 VanDerWaalsContact O-CB 3.23Å; R310-S348 WeakPolarHBondContact O-CB 3.2Å; P344-S348 PolarHBondContact O-N 3.2Å; P344-S348 PolarHBondContact O-OG 3.19Å; A345-S348 CarbonylContact O-C 3.53Å; A345-S348 PolarHBondContact O-N 2.87Å; A345-S348 PolarHBondContact O-OG 2.9Å; E346-S348 VanDerWaalsContact C-N 3.32Å; S348-T352 WeakPolarHBondContact O-CB 3.41Å; S348-T352 PolarHBondContact O-N 2.82Å; S348-T352 PolarHBondContact O-OG1 3.48Å
349	L	98.8	Very high	97.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.289	C	S	.	.	I	π-helix	trans	-63.5	-50.3	-177.6	-56.7	175	0	0	0	111.5	R310 L313 V335 A345 T352 H353 L361 D395 H398 V400	R310-L349 HydrophobicContact CB-CD2 4.2Å; L313-L349 HydrophobicContact CD1-CD2 4.26Å; V335-L349 HydrophobicContact CB-CD2 4.43Å; V335-L349 HydrophobicContact CG1-CD2 3.95Å; V335-L349 HydrophobicContact CG2-CD2 4.08Å; A345-L349 HydrophobicContact CB-CD1 4.23Å; A345-L349 WeakPolarHBondContact O-CA 3.48Å; A345-L349 WeakPolarHBondContact O-CB 3.37Å; A345-L349 PolarHBondContact O-N 3.08Å; L349-T352 PolarHBondContact O-N 2.96Å; L349-H353 PolarHBondContact O-N 3.5Å; L349-L361 HydrophobicContact CB-CD1 3.98Å; L349-L361 HydrophobicContact CD2-CD1 4.13Å; L349-L361 WeakPolarHBondContact O-CD1 3.27Å; L349-D395 VanDerWaalsContact CD1-OD1 3.27Å; L349-D395 WeakPolarHBondContact CD1-OD1 3.42Å; L349-H398 HydrophobicContact CB-CB 3.81Å; L349-H398 HydrophobicContact CD1-CB 4.17Å; L349-V400 HydrophobicContact CD1-CG2 3.87Å; L349-V400 HydrophobicContact CD2-CG2 4.27Å
350	G	98.5	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-58.8	-51.2	178.9	0	0	0	0	0	111.9	A345 E346 T352 H353 Q354	A345-G350 PolarHBondContact O-N 2.72Å; E346-G350 CarbonylContact O-C 3.53Å; E346-G350 WeakPolarHBondContact O-CA 3.48Å; G350-T352 VanDerWaalsContact C-N 3.32Å; G350-T352 PolarHBondContact O-N 3.17Å; G350-H353 PolarHBondContact O-N 2.88Å; G350-Q354 VanDerWaalsContact O-CG 3.27Å; G350-Q354 WeakPolarHBondContact O-CG 3.45Å; G350-Q354 PolarHBondContact O-N 3.47Å
351	A	98.7	Very high	97.8	Very high	21 Å²	21	51.4 Å²	51.4	17%	0.174	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-37.9	176.2	0	0	0	0	0	113	P314 E346 A347 Q354 L355	P314-A351 HydrophobicContact CB-CB 4.36Å; P314-A351 HydrophobicContact CG-CB 4.13Å; E346-A351 PolarHBondContact O-N 2.94Å; A347-A351 WeakPolarHBondContact O-CB 3.32Å; A351-Q354 PolarHBondContact O-N 2.99Å; A351-L355 VanDerWaalsContact O-CG 3.29Å; A351-L355 WeakPolarHBondContact O-CG 3.37Å; A351-L355 PolarHBondContact O-N 3.13Å; A351-L355 VanDerWaalsContact O-N 3.13Å
352	T	98.9	Very high	98.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-47	176.9	-58.7	0	0	0	0	111.1	L313 P314 A317 S348 L349 G350 Q354 L355 F356 L361	L313-T352 WeakPolarHBondContact CB-OG1 3.43Å; L313-T352 HydrophobicContact CD1-CG2 4.48Å; L313-T352 HydrophobicContact CD2-CG2 4.3Å; P314-T352 WeakPolarHBondContact CA-OG1 3.47Å; P314-T352 WeakPolarHBondContact CB-OG1 3.17Å; A317-T352 HydrophobicContact CB-CG2 3.7Å; S348-T352 WeakPolarHBondContact O-CB 3.41Å; S348-T352 PolarHBondContact O-N 2.82Å; S348-T352 PolarHBondContact O-OG1 3.48Å; L349-T352 PolarHBondContact O-N 2.96Å; G350-T352 VanDerWaalsContact C-N 3.32Å; G350-T352 PolarHBondContact O-N 3.17Å; T352-Q354 VanDerWaalsContact C-N 3.32Å; T352-Q354 PolarHBondContact O-N 3.13Å; T352-L355 PolarHBondContact O-N 3.38Å; T352-F356 PolarHBondContact O-N 3.09Å; T352-L361 HydrophobicContact CG2-CD2 3.86Å
353	H	98.8	Very high	98.3	Very high	41 Å²	41	39.5 Å²	39.5	19%	0.19	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-39	176.7	-178.7	69.1	0	0	0	112.1	L349 G350 L355 F356 P357 L361 Y399	L349-H353 PolarHBondContact O-N 3.5Å; G350-H353 PolarHBondContact O-N 2.88Å; H353-L355 VanDerWaalsContact C-N 3.31Å; H353-L355 PolarHBondContact O-N 3.37Å; H353-F356 CarbonylContact O-C 3.45Å; H353-F356 PolarHBondContact O-N 3.45Å; H353-P357 WeakPolarHBondContact O-CA 3.44Å; H353-P357 WeakPolarHBondContact O-CB 3.25Å; H353-P357 VanDerWaalsContact O-CD 3.31Å; H353-P357 WeakPolarHBondContact O-CD 3.33Å; H353-L361 HydrophobicContact CB-CD1 4.35Å; H353-Y399 HydrophobicContact CB-CD2 3.74Å; H353-Y399 HydrophobicContact CB-CE2 4.42Å; H353-Y399 HydrophobicContact CB-CG 3.97Å; H353-Y399 AromaticContact CD2-CD1 3.31Å; H353-Y399 WeakPolarHBondContact CD2-CD1 3.22Å; H353-Y399 AromaticContact CD2-CD2 3.44Å; H353-Y399 VanDerWaalsContact CD2-CD2 3.44Å; H353-Y399 WeakPolarHBondContact CD2-CD2 3.35Å; H353-Y399 AromaticContact CD2-CE1 3.43Å; H353-Y399 VanDerWaalsContact CD2-CE1 3.43Å; H353-Y399 WeakPolarHBondContact CD2-CE1 3.45Å; H353-Y399 AromaticContact CD2-CE2 3.6Å; H353-Y399 AromaticContact CD2-CG 3.31Å; H353-Y399 AromaticContact CD2-CZ 3.59Å; H353-Y399 AromaticContact CE1-CD1 3.81Å; H353-Y399 AromaticContact CG-CD1 3.85Å; H353-Y399 AromaticContact CG-CD2 3.62Å; H353-Y399 AromaticContact CG-CG 3.43Å; H353-Y399 VanDerWaalsContact CG-CG 3.43Å; H353-Y399 AromaticContact ND1-CG 3.92Å; H353-Y399 AromaticContact NE2-CD1 3.29Å; H353-Y399 VanDerWaalsContact NE2-CD1 3.29Å; H353-Y399 WeakPolarHBondContact NE2-CD1 3.35Å; H353-Y399 AromaticContact NE2-CE1 3.44Å; H353-Y399 WeakPolarHBondContact NE2-CE1 3.33Å; H353-Y399 AromaticContact NE2-CG 3.75Å
354	Q	98.6	Very high	98.4	Very high	122 Å²	122	38.7 Å²	38.7	57%	0.57	21%	0.208	S	C	*	.	H	α-helix	trans	-63.5	-36.2	176.7	-73.2	169.2	19.2	0	0	112.7	E346 G350 A351 T352	E346-Q354 PolarHBondContact OE1-NE2 3.28Å; G350-Q354 VanDerWaalsContact O-CG 3.27Å; G350-Q354 WeakPolarHBondContact O-CG 3.45Å; G350-Q354 PolarHBondContact O-N 3.47Å; A351-Q354 PolarHBondContact O-N 2.99Å; T352-Q354 VanDerWaalsContact C-N 3.32Å; T352-Q354 PolarHBondContact O-N 3.13Å
355	L	98.6	Very high	98.5	Very high	82 Å²	82	34.9 Å²	34.9	43%	0.429	18%	0.182	S	C	.	.	H	α-helix	trans	-78.5	-34.7	178.8	-70.6	170.1	0	0	0	112.7	P314 A351 T352 H353	P314-L355 HydrophobicContact CB-CD1 3.99Å; P314-L355 HydrophobicContact CG-CD1 4.4Å; A351-L355 VanDerWaalsContact O-CG 3.29Å; A351-L355 WeakPolarHBondContact O-CG 3.37Å; A351-L355 PolarHBondContact O-N 3.13Å; A351-L355 VanDerWaalsContact O-N 3.13Å; T352-L355 PolarHBondContact O-N 3.38Å; H353-L355 VanDerWaalsContact C-N 3.31Å; H353-L355 PolarHBondContact O-N 3.37Å
356	F	98.6	Very high	98.5	Very high	20 Å²	20	34.8 Å²	34.8	9%	0.088	18%	0.181	C	C	.	.			trans	-137.9	57.4	-168.6	-60.3	-66.2	0	0	0	111.9	A317 R318 L321 T352 H353 E358 Y359	A317-F356 HydrophobicContact CB-CD2 4.16Å; A317-F356 HydrophobicContact CB-CE2 4.24Å; R318-F356 HydrophobicContact CB-CE2 4.34Å; R318-F356 HydrophobicContact CB-CZ 4.49Å; L321-F356 HydrophobicContact CB-CD1 3.78Å; L321-F356 HydrophobicContact CB-CD2 4.47Å; L321-F356 HydrophobicContact CB-CE1 3.73Å; L321-F356 HydrophobicContact CB-CE2 4.43Å; L321-F356 HydrophobicContact CB-CG 4.17Å; L321-F356 HydrophobicContact CB-CZ 4.08Å; L321-F356 HydrophobicContact CD1-CB 3.9Å; L321-F356 HydrophobicContact CD1-CD1 4.18Å; L321-F356 HydrophobicContact CD1-CD2 3.97Å; L321-F356 HydrophobicContact CD1-CG 3.75Å; T352-F356 PolarHBondContact O-N 3.09Å; H353-F356 CarbonylContact O-C 3.45Å; H353-F356 PolarHBondContact O-N 3.45Å; F356-E358 PolarHBondContact O-N 2.98Å; F356-E358 VanDerWaalsContact O-N 3.13Å; F356-Y359 HydrophobicContact CB-CD2 3.93Å; F356-Y359 PolarHBondContact O-N 2.9Å; F356-Y359 VanDerWaalsContact O-N 3.13Å
357	P	98.2	Very high	98.5	Very high	75 Å²	75	30.5 Å²	30.5	49%	0.487	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.6	-170.7	27	-36.4	0	0	0	114.5	H353 Y359	H353-P357 WeakPolarHBondContact O-CA 3.44Å; H353-P357 WeakPolarHBondContact O-CB 3.25Å; H353-P357 VanDerWaalsContact O-CD 3.31Å; H353-P357 WeakPolarHBondContact O-CD 3.33Å; P357-Y359 VanDerWaalsContact C-N 3.34Å
358	E	97.4	Very high	98.4	Very high	126 Å²	126	28 Å²	28	59%	0.589	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-16.4	177.3	67.4	-78.6	-174.7	0	0	114.1	F356	F356-E358 PolarHBondContact O-N 2.98Å; F356-E358 VanDerWaalsContact O-N 3.13Å
359	Y	98.7	Very high	98.3	Very high	34 Å²	34	28.1 Å²	28.1	13%	0.133	14%	0.142	C	C	.	.	S	Bend	trans	-103.6	125.1	176.6	-57.9	-87	0	0	0	109.6	L321 A327 I330 F356 P357	L321-Y359 HydrophobicContact CB-CE2 4.41Å; L321-Y359 HydrophobicContact CD1-CD2 3.87Å; L321-Y359 HydrophobicContact CD1-CE2 4.35Å; L321-Y359 HydrophobicContact CD1-CG 4.01Å; L321-Y359 HydrophobicContact CD2-CD1 4Å; L321-Y359 HydrophobicContact CD2-CD2 4.3Å; L321-Y359 HydrophobicContact CD2-CE1 3.99Å; L321-Y359 HydrophobicContact CD2-CE2 4.23Å; L321-Y359 HydrophobicContact CD2-CG 4.18Å; A327-Y359 WeakPolarHBondContact CB-OH 3.47Å; A327-Y359 PolarHBondContact O-OH 3.07Å; I330-Y359 HydrophobicContact CB-CD1 4.42Å; I330-Y359 HydrophobicContact CB-CE1 4.23Å; I330-Y359 HydrophobicContact CG2-CD1 4.1Å; I330-Y359 HydrophobicContact CG2-CE1 4.4Å; I330-Y359 VanDerWaalsContact O-CE1 3.28Å; I330-Y359 WeakPolarHBondContact O-CE1 3.31Å; F356-Y359 HydrophobicContact CB-CD2 3.93Å; F356-Y359 PolarHBondContact O-N 2.9Å; F356-Y359 VanDerWaalsContact O-N 3.13Å; P357-Y359 VanDerWaalsContact C-N 3.34Å
360	Y	98.8	Very high	98.1	Very high	49 Å²	49	32.3 Å²	32.3	19%	0.192	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	151	-177.9	61.3	-101	0	0	0	112	W253 H302 L304 H331 G332 V333 F362 V401	W253-Y360 HydrophobicContact CH2-CE2 4.39Å; W253-Y360 HydrophobicContact CZ2-CE2 4.1Å; W253-Y360 AromaticContact CZ2-CZ 3.91Å; W253-Y360 VanDerWaalsContact CZ2-OH 3.27Å; W253-Y360 WeakPolarHBondContact CZ2-OH 3.01Å; H302-Y360 AromaticContact ND1-CE1 3.76Å; H302-Y360 AromaticContact ND1-CZ 3.74Å; H302-Y360 PolarHBondContact ND1-OH 2.97Å; L304-Y360 HydrophobicContact CD2-CE2 3.54Å; L304-Y360 WeakPolarHBondContact CD2-OH 3.41Å; H331-Y360 HydrophobicContact CB-CE1 3.89Å; H331-Y360 WeakPolarHBondContact O-CD1 3.38Å; H331-Y360 VanDerWaalsContact O-CE1 3.22Å; H331-Y360 WeakPolarHBondContact O-CE1 3.38Å; H331-Y360 PolarHBondContact O-N 3.3Å; G332-Y360 CarbonylContact C-O 3.56Å; G332-Y360 WeakPolarHBondContact CA-O 3.05Å; V333-Y360 PolarHBondContact N-O 3Å; Y360-F362 HydrophobicContact CD2-CB 4.22Å; Y360-F362 HydrophobicContact CE2-CB 4.25Å; Y360-V401 HydrophobicContact CD2-CG2 3.88Å; Y360-V401 HydrophobicContact CG-CG2 4.26Å
361	L	98.9	Very high	97.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138.7	170.9	-54.3	179.8	0	0	0	109.2	V333 L349 T352 H353 V400 V401	V333-L361 HydrophobicContact CB-CD2 3.75Å; V333-L361 HydrophobicContact CG1-CD2 4.48Å; V333-L361 HydrophobicContact CG2-CD2 4.13Å; V333-L361 WeakPolarHBondContact O-CA 3.26Å; L349-L361 HydrophobicContact CB-CD1 3.98Å; L349-L361 HydrophobicContact CD2-CD1 4.13Å; L349-L361 WeakPolarHBondContact O-CD1 3.27Å; T352-L361 HydrophobicContact CG2-CD2 3.86Å; H353-L361 HydrophobicContact CB-CD1 4.35Å; L361-V400 HydrophobicContact CB-CG2 4Å; L361-V400 WeakPolarHBondContact O-CA 3.31Å; L361-V401 WeakPolarHBondContact O-CG2 3.27Å; L361-V401 PolarHBondContact O-N 2.81Å
362	F	98.9	Very high	97.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	127.6	179.9	-171.6	-86	0	0	0	111.2	K104 V143 L200 W253 V333 A334 V335 Y360 T364 V401 T404	K104-F362 HydrophobicContact CB-CD2 4.33Å; K104-F362 HydrophobicContact CB-CE2 4.08Å; K104-F362 HydrophobicContact CG-CD2 4.39Å; K104-F362 HydrophobicContact CG-CE2 3.94Å; V143-F362 HydrophobicContact CG1-CZ 4.03Å; V143-F362 HydrophobicContact CG2-CZ 4.13Å; L200-F362 HydrophobicContact CD2-CE1 4.49Å; W253-F362 AromaticContact CH2-CD2 3.89Å; W253-F362 HydrophobicContact CH2-CD2 3.89Å; W253-F362 AromaticContact CH2-CE2 3.92Å; W253-F362 HydrophobicContact CH2-CE2 3.92Å; W253-F362 HydrophobicContact CH2-CG 4.23Å; W253-F362 HydrophobicContact CH2-CZ 4.28Å; W253-F362 HydrophobicContact CZ3-CE1 4.4Å; W253-F362 HydrophobicContact CZ3-CE2 4.24Å; W253-F362 HydrophobicContact CZ3-CZ 4.17Å; V333-F362 PolarHBondContact O-N 2.88Å; A334-F362 WeakPolarHBondContact CA-O 3.49Å; V335-F362 PolarHBondContact N-O 3.09Å; Y360-F362 HydrophobicContact CD2-CB 4.22Å; Y360-F362 HydrophobicContact CE2-CB 4.25Å; F362-T364 HydrophobicContact CD1-CG2 3.59Å; F362-T364 HydrophobicContact CE1-CG2 4.13Å; F362-T364 PolarHBondContact O-N 3.35Å; F362-V401 HydrophobicContact CB-CG2 4.38Å; F362-V401 HydrophobicContact CD2-CG2 3.75Å; F362-T404 VanDerWaalsContact CE1-OG1 3.23Å; F362-T404 WeakPolarHBondContact CE1-OG1 3.49Å; F362-T404 WeakPolarHBondContact CZ-OG1 3.41Å
363	G	98.8	Very high	96.9	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	107.4	173.5	0	0	0	0	0	110.3	V335 G402 W403 T404	V335-G363 WeakPolarHBondContact O-CA 3.26Å; G363-G402 PolarHBondContact N-O 2.83Å; G363-W403 CarbonylContact O-C 3.59Å; G363-W403 WeakPolarHBondContact O-CA 3.49Å; G363-T404 WeakPolarHBondContact O-CB 3.12Å; G363-T404 PolarHBondContact O-N 3.24Å; G363-T404 PolarHBondContact O-OG1 3.27Å
364	T	98.8	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-18.5	-173	45.1	0	0	0	0	113.7	R145 L200 T256 L304 D307 A334 V335 H336 F362 T404	R145-T364 WeakPolarHBondContact CD-O 3.38Å; L200-T364 HydrophobicContact CD2-CG2 3.52Å; T256-T364 HydrophobicContact CG2-CG2 4.44Å; L304-T364 HydrophobicContact CD1-CG2 4.3Å; D307-T364 WeakPolarHBondContact OD1-CB 3.27Å; D307-T364 PolarHBondContact OD1-OG1 2.92Å; A334-T364 HydrophobicContact CB-CG2 3.38Å; V335-T364 PolarHBondContact O-N 2.96Å; V335-T364 VanDerWaalsContact O-N 3.07Å; V335-T364 PolarHBondContact O-OG1 2.95Å; H336-T364 PolarHBondContact CD2-OG1 3.3Å; H336-T364 VanDerWaalsContact CD2-OG1 3.31Å; H336-T364 PolarHBondContact NE2-OG1 3.03Å; F362-T364 HydrophobicContact CD1-CG2 3.59Å; F362-T364 HydrophobicContact CE1-CG2 4.13Å; F362-T364 PolarHBondContact O-N 3.35Å; T364-T404 WeakPolarHBondContact O-CB 3.37Å
365	E	98.8	Very high	96.4	Very high	11 Å²	11	43 Å²	43	5%	0.051	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	136.1	-177.9	171.7	176.2	166.4	0	0	112.3	R145 N259 H336 Y338 T404 W406	R145-E365 IonicContact NH2-OE2 3.81Å; N259-E365 PolarHBondContact OD1-OE2 2.97Å; H336-E365 WeakPolarHBondContact CA-O 3.22Å; H336-E365 IonicContact CE1-OE2 3Å; H336-E365 PolarHBondContact CE1-OE2 2.84Å; H336-E365 IonicContact ND1-OE2 3.74Å; H336-E365 IonicContact NE2-OE2 3.18Å; Y338-E365 HydrophobicContact CE2-CG 4.01Å; Y338-E365 VanDerWaalsContact CE2-OE1 3.27Å; Y338-E365 WeakPolarHBondContact CE2-OE1 3.28Å; Y338-E365 VanDerWaalsContact OH-CG 3.24Å; Y338-E365 WeakPolarHBondContact OH-CG 3.22Å; Y338-E365 PolarHBondContact OH-OE1 3.23Å; E365-T404 CarbonylContact C-O 3.53Å; E365-T404 WeakPolarHBondContact CA-O 3.31Å; E365-W406 HydrophobicContact CB-CE3 3.91Å; E365-W406 HydrophobicContact CB-CZ3 3.83Å; E365-W406 HydrophobicContact CG-CD2 3.8Å; E365-W406 HydrophobicContact CG-CE3 3.33Å; E365-W406 HydrophobicContact CG-CG 4.34Å; E365-W406 HydrophobicContact CG-CH2 4.08Å; E365-W406 HydrophobicContact CG-CZ3 3.49Å; E365-W406 VanDerWaalsContact CG-CZ3 3.49Å; E365-W406 WeakPolarHBondContact OE1-CZ2 3.29Å; E365-W406 WeakPolarHBondContact OE2-CH2 3.22Å; E365-W406 WeakPolarHBondContact OE2-CZ3 2.84Å
366	A	98.1	Very high	96.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.205	C	C	.	.			trans	-159.8	139.4	175.5	0	0	0	0	0	110.1	W337 W403 T404 D405 W406	W337-A366 HydrophobicContact CB-CB 4.02Å; W337-A366 HydrophobicContact CD2-CB 4.38Å; W337-A366 HydrophobicContact CE3-CB 3.57Å; W337-A366 HydrophobicContact CZ3-CB 4.36Å; A366-W403 HydrophobicContact CB-CH2 3.26Å; A366-W403 HydrophobicContact CB-CZ2 2.98Å; A366-W403 HydrophobicContact CB-CZ3 4.15Å; A366-T404 PolarHBondContact N-O 3.32Å; A366-D405 CarbonylContact O-C 3.57Å; A366-W406 WeakPolarHBondContact O-CB 3.48Å; A366-W406 PolarHBondContact O-N 3.46Å
367	C	96.6	Very high	96.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	21%	0.21	C	C	.	.			trans	-148.6	153.4	166.5	64.4	0	0	0	0	111.9	Y338 Y388 W406 V423	Y338-C367 WeakPolarHBondContact CE1-SG 3.44Å; Y338-C367 PolarHBondContact OH-SG 2.71Å; C367-Y388 WeakPolarHBondContact CA-OH 3.42Å; C367-W406 HydrophobicContact CB-CB 3.73Å; C367-V423 HydrophobicContact CB-CG2 4.31Å
368	A	97.1	Very high	96.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.008	20%	0.201	C	C	.	.	S	Bend	trans	-86.9	172.5	163.4	0	0	0	0	0	110	W370 H384 Y388 D424	A368-W370 VanDerWaalsContact C-N 3.25Å; A368-W370 PolarHBondContact O-N 3.09Å; A368-H384 HydrophobicContact CB-CB 3.87Å; A368-Y388 HydrophobicContact CB-CD2 4.48Å; A368-Y388 HydrophobicContact CB-CE2 3.77Å; A368-D424 HydrophobicContact CB-CB 4.48Å; A368-D424 PolarHBondContact O-N 3.2Å
369	G	96	Very high	96.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	76.7	7.8	177.9	0	0	0	0	0	114.4	D374 R375 G376 V423	G369-D374 CarbonylContact C-O 3.6Å; G369-D374 WeakPolarHBondContact CA-O 3.4Å; G369-R375 CarbonylContact O-C 3.49Å; G369-R375 VanDerWaalsContact O-CA 3.27Å; G369-R375 WeakPolarHBondContact O-CA 3.46Å; G369-G376 PolarHBondContact O-N 3.49Å; G369-V423 WeakPolarHBondContact O-CA 2.99Å
370	W	93.9	Very high	96.3	Very high	89 Å²	89	32.6 Å²	32.6	34%	0.337	17%	0.17	S	C	.	.			trans	-87.2	-31.5	-175.3	70.8	-87.1	0	0	0	113.4	Y338 L339 A368 R375 V423	Y338-W370 HydrophobicContact CD1-CB 4.28Å; Y338-W370 AromaticContact CD1-CD1 3.65Å; Y338-W370 AromaticContact CD1-CD2 3.77Å; Y338-W370 HydrophobicContact CD1-CD2 3.77Å; Y338-W370 AromaticContact CD1-CE2 3.92Å; Y338-W370 HydrophobicContact CD1-CE3 4.47Å; Y338-W370 AromaticContact CD1-CG 3.63Å; Y338-W370 HydrophobicContact CD1-CG 3.63Å; Y338-W370 AromaticContact CD1-NE1 3.77Å; Y338-W370 HydrophobicContact CE1-CB 4.27Å; Y338-W370 HydrophobicContact CE1-CG 4.04Å; Y338-W370 HydrophobicContact CG-CD2 4.35Å; Y338-W370 WeakPolarHBondContact O-CH2 3.39Å; Y338-W370 WeakPolarHBondContact O-CZ2 3.31Å; L339-W370 HydrophobicContact CD2-CH2 4.49Å; A368-W370 VanDerWaalsContact C-N 3.25Å; A368-W370 PolarHBondContact O-N 3.09Å; W370-R375 PolarHBondContact O-NH2 2.73Å; W370-V423 HydrophobicContact CB-CG1 4.05Å
371	S	92.6	Very high	96.3	Very high	26 Å²	26	30.5 Å²	30.5	18%	0.182	16%	0.162	C	C	.	.	S	Bend	trans	-69	160.4	-173.3	86.4	0	0	0	0	111.7	V373 D374 R375	S371-V373 VanDerWaalsContact C-N 3.32Å; S371-V373 PolarHBondContact O-N 3.38Å; S371-D374 CarbonylContact O-C 3.59Å; S371-D374 WeakPolarHBondContact OG-CB 3.33Å; S371-D374 PolarHBondContact OG-N 2.87Å; S371-R375 WeakPolarHBondContact O-CA 3.44Å; S371-R375 WeakPolarHBondContact O-CB 3.25Å; S371-R375 PolarHBondContact O-N 3.29Å
372	S	88.9	Confident	96.3	Very high	109 Å²	109	30.6 Å²	30.6	76%	0.762	16%	0.163	S	C	*	.	S	Bend	trans	-69.7	-27.9	-179.6	55.8	0	0	0	0	113.9
373	V	90.3	Very high	96.3	Very high	135 Å²	135	34.1 Å²	34.1	82%	0.818	18%	0.182	S	C	*	.	S	Bend	trans	-89.4	-16.5	-178.6	-63.5	0	0	0	0	113	S371	S371-V373 VanDerWaalsContact C-N 3.32Å; S371-V373 PolarHBondContact O-N 3.38Å
374	D	92.2	Very high	96.2	Very high	19 Å²	19	34 Å²	34	10%	0.102	18%	0.18	C	C	.	.	S	Bend	trans	-138.2	59.7	-176.6	-177.7	40	0	0	0	108.5	G369 S371 K378 H384	G369-D374 CarbonylContact C-O 3.6Å; G369-D374 WeakPolarHBondContact CA-O 3.4Å; S371-D374 CarbonylContact O-C 3.59Å; S371-D374 WeakPolarHBondContact OG-CB 3.33Å; S371-D374 PolarHBondContact OG-N 2.87Å; D374-K378 WeakPolarHBondContact OD1-CD 3.45Å; D374-K378 WeakPolarHBondContact OD1-CE 3.05Å; D374-K378 IonicContact OD1-NZ 3.34Å; D374-K378 PolarHBondContact OD1-NZ 3.1Å; D374-H384 IonicContact OD1-NE2 3.83Å; D374-H384 PolarHBondContact OD1-NE2 3.42Å; D374-H384 IonicContact OD2-CD2 3.51Å; D374-H384 IonicContact OD2-CE1 2.84Å; D374-H384 IonicContact OD2-NE2 2.8Å; D374-H384 PolarHBondContact OD2-NE2 3.13Å
375	R	94.9	Very high	96.2	Very high	122 Å²	122	34 Å²	34	46%	0.46	18%	0.18	S	C	.	.			trans	-92	134.2	-174.5	-173.9	164.4	-76.6	-115.9	-14.6	112.1	G369 W370 S371 N421 F422	G369-R375 CarbonylContact O-C 3.49Å; G369-R375 VanDerWaalsContact O-CA 3.27Å; G369-R375 WeakPolarHBondContact O-CA 3.46Å; W370-R375 PolarHBondContact O-NH2 2.73Å; S371-R375 WeakPolarHBondContact O-CA 3.44Å; S371-R375 WeakPolarHBondContact O-CB 3.25Å; S371-R375 PolarHBondContact O-N 3.29Å; R375-N421 PolarHBondContact NH1-OD1 3.25Å; R375-N421 PolarHBondContact NH2-OD1 3Å; R375-F422 WeakPolarHBondContact CG-O 3.42Å
376	G	96	Very high	96.2	Very high	5 Å²	5	34.1 Å²	34.1	5%	0.052	18%	0.181	C	C	.	.	S	Bend	trans	81.5	-164	170.8	0	0	0	0	0	114.3	G369	G369-G376 PolarHBondContact O-N 3.49Å
377	V	98.3	Very high	96.2	Very high	29 Å²	29	36.5 Å²	36.5	18%	0.176	19%	0.192	C	C	.	.			trans	-76.1	131.9	-171.3	176.5	0	0	0	0	111.9	L379 I428	V377-L379 HydrophobicContact CG1-CD2 4.25Å; V377-L379 HydrophobicContact CG1-CG 4.02Å; V377-I428 HydrophobicContact CB-CD1 4.42Å; V377-I428 HydrophobicContact CG1-CD1 3.85Å; V377-I428 HydrophobicContact CG1-CG1 3.79Å; V377-I428 HydrophobicContact CG1-CG2 4.33Å; V377-I428 HydrophobicContact CG2-CD1 3.63Å; V377-I428 HydrophobicContact CG2-CG1 4.49Å
378	K	98	Very high	96.4	Very high	70 Å²	70	36.5 Å²	36.5	30%	0.304	19%	0.192	S	C	.	.			trans	-124.1	97.4	166.7	-71.4	-179.1	174	174.6	0	110.2	D374 G380 S381 D424 Q439	D374-K378 WeakPolarHBondContact OD1-CD 3.45Å; D374-K378 WeakPolarHBondContact OD1-CE 3.05Å; D374-K378 IonicContact OD1-NZ 3.34Å; D374-K378 PolarHBondContact OD1-NZ 3.1Å; K378-G380 PolarHBondContact O-N 3.17Å; K378-S381 WeakPolarHBondContact O-CB 3.3Å; K378-S381 PolarHBondContact O-N 3.22Å; K378-S381 VanDerWaalsContact O-N 3.07Å; K378-D424 PolarHBondContact N-OD2 3.08Å; K378-D424 VanDerWaalsContact N-OD2 3.11Å; K378-Q439 PolarHBondContact O-NE2 3.13Å
379	L	98.6	Very high	96.4	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.073	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	104.2	-174.5	-76.5	170.8	0	0	0	112	F34 H36 V40 V377 I428 Y437 Q439	F34-L379 HydrophobicContact CB-CB 3.76Å; F34-L379 HydrophobicContact CD1-CB 4.41Å; F34-L379 HydrophobicContact CD1-CD1 3.69Å; F34-L379 HydrophobicContact CD2-CB 3.78Å; F34-L379 HydrophobicContact CD2-CD1 4.06Å; F34-L379 HydrophobicContact CD2-CG 4.49Å; F34-L379 HydrophobicContact CE1-CD1 3.75Å; F34-L379 HydrophobicContact CE2-CB 4.49Å; F34-L379 HydrophobicContact CE2-CD1 4.12Å; F34-L379 HydrophobicContact CG-CB 3.74Å; F34-L379 HydrophobicContact CG-CD1 3.85Å; F34-L379 HydrophobicContact CG-CG 4.45Å; F34-L379 HydrophobicContact CZ-CD1 3.97Å; H36-L379 PolarHBondContact CD2-O 3.32Å; V40-L379 HydrophobicContact CG1-CB 4.14Å; V40-L379 HydrophobicContact CG1-CD2 4.08Å; V377-L379 HydrophobicContact CG1-CD2 4.25Å; V377-L379 HydrophobicContact CG1-CG 4.02Å; L379-I428 HydrophobicContact CD2-CB 3.85Å; L379-I428 HydrophobicContact CD2-CG1 3.92Å; L379-I428 HydrophobicContact CD2-CG2 4Å; L379-Y437 HydrophobicContact CD1-CD2 4.36Å; L379-Y437 HydrophobicContact CD1-CE2 4.48Å; L379-Y437 HydrophobicContact CD2-CD2 3.86Å; L379-Y437 HydrophobicContact CD2-CG 4.15Å; L379-Q439 VanDerWaalsContact CA-OE1 3.31Å
380	G	98.4	Very high	96.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	14.9	-179	0	0	0	0	0	114.4	S38 K378 W382	S38-G380 CarbonylContact C-O 3.52Å; S38-G380 WeakPolarHBondContact CA-O 3.18Å; S38-G380 VanDerWaalsContact CB-O 3.32Å; S38-G380 WeakPolarHBondContact CB-O 3.33Å; S38-G380 PolarHBondContact N-O 3Å; K378-G380 PolarHBondContact O-N 3.17Å; G380-W382 PolarHBondContact O-N 2.66Å; G380-W382 VanDerWaalsContact O-N 3.13Å
381	S	98.6	Very high	96.8	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.028	19%	0.186	C	C	.	.			trans	-61.9	110.5	175.2	-177.1	0	0	0	0	111.4	K378 H384 P440	K378-S381 WeakPolarHBondContact O-CB 3.3Å; K378-S381 PolarHBondContact O-N 3.22Å; K378-S381 VanDerWaalsContact O-N 3.07Å; S381-H384 PolarHBondContact OG-CD2 3.21Å; S381-H384 VanDerWaalsContact OG-CG 3.22Å; S381-H384 PolarHBondContact OG-N 2.96Å; S381-P440 WeakPolarHBondContact O-CB 3.31Å; S381-P440 WeakPolarHBondContact O-CG 3.23Å
382	W	98.6	Very high	97.1	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.011	18%	0.177	C	C	.	.	H	α-helix	trans	-76.9	-31.2	172.8	-172.2	-97.8	0	0	0	111.7	D37 S67 S68 M69 G380 H384 A385 E386 P440 H512 L514	D37-W382 HydrophobicContact CB-CB 4.28Å; S67-W382 VanDerWaalsContact C-CH2 3.43Å; S68-W382 VanDerWaalsContact N-CH2 3.28Å; S68-W382 WeakPolarHBondContact O-CZ3 3.5Å; M69-W382 VanDerWaalsContact CA-CD2 3.42Å; M69-W382 HydrophobicContact CB-CB 4.19Å; M69-W382 HydrophobicContact CB-CD2 3.79Å; M69-W382 HydrophobicContact CB-CG 3.55Å; M69-W382 HydrophobicContact CG-CB 3.75Å; M69-W382 HydrophobicContact CG-CD2 4.35Å; M69-W382 HydrophobicContact CG-CG 3.66Å; M69-W382 VanDerWaalsContact N-CE2 3.33Å; M69-W382 HydrophobicContact SD-CB 4.5Å; M69-W382 HydrophobicContact SD-CG 4.48Å; G380-W382 PolarHBondContact O-N 2.66Å; G380-W382 VanDerWaalsContact O-N 3.13Å; W382-H384 VanDerWaalsContact C-N 3.33Å; W382-H384 PolarHBondContact O-N 2.94Å; W382-A385 HydrophobicContact CD2-CB 4.28Å; W382-A385 HydrophobicContact CE3-CB 4.17Å; W382-A385 HydrophobicContact CZ3-CB 4.44Å; W382-A385 WeakPolarHBondContact O-CA 3.23Å; W382-A385 WeakPolarHBondContact O-CB 3.35Å; W382-A385 PolarHBondContact O-N 3.05Å; W382-E386 PolarHBondContact NE1-OE1 2.95Å; W382-E386 PolarHBondContact O-N 2.9Å; W382-P440 HydrophobicContact CE3-CB 3.96Å; W382-P440 HydrophobicContact CE3-CG 4.5Å; W382-P440 HydrophobicContact CZ3-CB 4.33Å; W382-H512 VanDerWaalsContact CE2-O 3.28Å; W382-H512 VanDerWaalsContact CZ2-O 3.24Å; W382-H512 WeakPolarHBondContact CZ2-O 3.31Å; W382-H512 PolarHBondContact NE1-O 2.98Å; W382-L514 HydrophobicContact CH2-CD1 4.09Å; W382-L514 HydrophobicContact CZ2-CD1 3.74Å
383	D	98.2	Very high	97.6	Very high	75 Å²	75	28.2 Å²	28.2	40%	0.401	14%	0.141	S	C	.	.	H	α-helix	trans	-56.4	-46.1	173.7	-177.4	73.3	0	0	0	111.3	A385 E386 Q387	D383-A385 PolarHBondContact O-N 3.4Å; D383-E386 PolarHBondContact O-N 3.36Å; D383-E386 VanDerWaalsContact O-N 3.15Å; D383-Q387 VanDerWaalsContact O-CG 3.31Å; D383-Q387 WeakPolarHBondContact O-CG 3.48Å; D383-Q387 PolarHBondContact O-N 3.15Å; D383-Q387 PolarHBondContact OD2-NE2 2.94Å
384	H	98.4	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-36.1	173.5	-65.6	-178.3	0	0	0	111.9	A368 D374 S381 W382 Q387 Y388 D424 T441	A368-H384 HydrophobicContact CB-CB 3.87Å; D374-H384 IonicContact OD1-NE2 3.83Å; D374-H384 PolarHBondContact OD1-NE2 3.42Å; D374-H384 IonicContact OD2-CD2 3.51Å; D374-H384 IonicContact OD2-CE1 2.84Å; D374-H384 IonicContact OD2-NE2 2.8Å; D374-H384 PolarHBondContact OD2-NE2 3.13Å; S381-H384 PolarHBondContact OG-CD2 3.21Å; S381-H384 VanDerWaalsContact OG-CG 3.22Å; S381-H384 PolarHBondContact OG-N 2.96Å; W382-H384 VanDerWaalsContact C-N 3.33Å; W382-H384 PolarHBondContact O-N 2.94Å; H384-Q387 PolarHBondContact O-N 3.25Å; H384-Y388 VanDerWaalsContact O-CD2 3.27Å; H384-Y388 WeakPolarHBondContact O-CD2 3.44Å; H384-Y388 PolarHBondContact O-N 3.04Å; H384-D424 IonicContact CE1-OD2 3.54Å; H384-D424 PolarHBondContact CE1-OD2 3Å; H384-D424 VanDerWaalsContact CE1-OD2 3.27Å; H384-D424 IonicContact ND1-OD2 3.75Å; H384-D424 PolarHBondContact ND1-OD2 2.99Å; H384-T441 HydrophobicContact CB-CG2 3.66Å; H384-T441 WeakPolarHBondContact O-CG2 3.24Å
385	A	98.6	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.4	-43.7	177.5	0	0	0	0	0	111.8	W382 D383 A389 P440 S444	W382-A385 HydrophobicContact CD2-CB 4.28Å; W382-A385 HydrophobicContact CE3-CB 4.17Å; W382-A385 HydrophobicContact CZ3-CB 4.44Å; W382-A385 WeakPolarHBondContact O-CA 3.23Å; W382-A385 WeakPolarHBondContact O-CB 3.35Å; W382-A385 PolarHBondContact O-N 3.05Å; D383-A385 PolarHBondContact O-N 3.4Å; A385-A389 WeakPolarHBondContact O-CB 3.46Å; A385-A389 PolarHBondContact O-N 3.22Å; A385-A389 VanDerWaalsContact O-N 3.09Å; A385-P440 HydrophobicContact CB-CB 3.5Å; A385-S444 VanDerWaalsContact C-OG 3.28Å; A385-S444 VanDerWaalsContact CA-OG 3.31Å; A385-S444 WeakPolarHBondContact CA-OG 3.44Å; A385-S444 WeakPolarHBondContact CB-OG 3.29Å; A385-S444 WeakPolarHBondContact O-CB 3.32Å; A385-S444 PolarHBondContact O-OG 3.1Å
386	E	98.7	Very high	98.5	Very high	14 Å²	14	17.6 Å²	17.6	7%	0.065	9%	0.088	C	C	.	.	H	α-helix	trans	-67.9	-37.6	176.5	-68.6	-170.9	168.4	0	0	111.7	W382 D383 A389 H390 L486 R488 H512	W382-E386 PolarHBondContact NE1-OE1 2.95Å; W382-E386 PolarHBondContact O-N 2.9Å; D383-E386 PolarHBondContact O-N 3.36Å; D383-E386 VanDerWaalsContact O-N 3.15Å; E386-A389 PolarHBondContact O-N 3.14Å; E386-H390 WeakPolarHBondContact O-CB 3.24Å; E386-H390 PolarHBondContact O-N 2.62Å; E386-L486 HydrophobicContact CG-CD1 4.39Å; E386-R488 HydrophobicContact CB-CG 4.11Å; E386-R488 HydrophobicContact CG-CG 4.17Å; E386-H512 VanDerWaalsContact OE1-CA 3.24Å; E386-H512 WeakPolarHBondContact OE1-CA 3.27Å; E386-H512 VanDerWaalsContact OE1-CB 3.31Å; E386-H512 WeakPolarHBondContact OE1-CB 3.25Å; E386-H512 IonicContact OE1-CG 3.22Å; E386-H512 IonicContact OE1-ND1 3.58Å; E386-H512 PolarHBondContact OE1-ND1 3.03Å; E386-H512 IonicContact OE2-ND1 3.62Å
387	Q	98.4	Very high	98.6	Very high	50 Å²	50	19.3 Å²	19.3	23%	0.234	10%	0.096	C	C	.	.	H	α-helix	trans	-58.9	-49.5	173.8	-71.2	-178.8	36.7	0	0	111.3	W337 D383 H384 A389 H390 D391	W337-Q387 HydrophobicContact CH2-CB 3.61Å; W337-Q387 HydrophobicContact CZ2-CB 3.72Å; D383-Q387 VanDerWaalsContact O-CG 3.31Å; D383-Q387 WeakPolarHBondContact O-CG 3.48Å; D383-Q387 PolarHBondContact O-N 3.15Å; D383-Q387 PolarHBondContact OD2-NE2 2.94Å; H384-Q387 PolarHBondContact O-N 3.25Å; Q387-A389 PolarHBondContact O-N 3.47Å; Q387-H390 PolarHBondContact O-N 2.91Å; Q387-D391 WeakPolarHBondContact O-CB 3.11Å; Q387-D391 PolarHBondContact O-N 3.42Å
388	Y	98.8	Very high	98.6	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-58.8	-48.7	175.9	-88.2	-126.7	0	0	0	111.7	W337 C367 A368 H384 H390 D391 I392 W403 D405 P426 T441 M445	W337-Y388 AromaticContact CH2-CD2 3.89Å; W337-Y388 HydrophobicContact CH2-CD2 3.89Å; W337-Y388 HydrophobicContact CH2-CE2 4.28Å; W337-Y388 AromaticContact CZ3-CD2 3.78Å; W337-Y388 HydrophobicContact CZ3-CD2 3.78Å; W337-Y388 AromaticContact CZ3-CE2 3.82Å; W337-Y388 HydrophobicContact CZ3-CE2 3.82Å; C367-Y388 WeakPolarHBondContact CA-OH 3.42Å; A368-Y388 HydrophobicContact CB-CD2 4.48Å; A368-Y388 HydrophobicContact CB-CE2 3.77Å; H384-Y388 VanDerWaalsContact O-CD2 3.27Å; H384-Y388 WeakPolarHBondContact O-CD2 3.44Å; H384-Y388 PolarHBondContact O-N 3.04Å; Y388-H390 PolarHBondContact O-N 2.8Å; Y388-D391 PolarHBondContact O-N 2.6Å; Y388-I392 WeakPolarHBondContact O-CB 3.45Å; Y388-I392 WeakPolarHBondContact O-CD1 3.18Å; Y388-I392 WeakPolarHBondContact O-CG1 3.37Å; Y388-I392 PolarHBondContact O-N 2.72Å; Y388-W403 AromaticContact CD1-CH2 3.6Å; Y388-W403 HydrophobicContact CD1-CH2 3.6Å; Y388-W403 HydrophobicContact CD1-CZ3 4.06Å; Y388-W403 AromaticContact CE1-CH2 3.62Å; Y388-W403 HydrophobicContact CE1-CH2 3.62Å; Y388-W403 HydrophobicContact CE1-CZ3 4.03Å; Y388-W403 HydrophobicContact CG-CH2 4.24Å; Y388-D405 HydrophobicContact CE1-CB 4.49Å; Y388-D405 VanDerWaalsContact CE1-OD1 3.31Å; Y388-D405 WeakPolarHBondContact CE1-OD1 3.32Å; Y388-D405 PolarHBondContact OH-OD1 2.95Å; Y388-P426 HydrophobicContact CE1-CG 4.11Å; Y388-T441 HydrophobicContact CD1-CG2 4.32Å; Y388-T441 HydrophobicContact CD2-CG2 3.62Å; Y388-T441 HydrophobicContact CE1-CG2 4.43Å; Y388-T441 HydrophobicContact CE2-CG2 3.74Å; Y388-T441 HydrophobicContact CG-CG2 3.93Å; Y388-M445 HydrophobicContact CD1-CG 4.08Å; Y388-M445 HydrophobicContact CD1-SD 4.14Å; Y388-M445 HydrophobicContact CE1-CG 4.45Å
389	A	98.9	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-68.9	-36.8	-175.4	0	0	0	0	0	112.9	A385 E386 Q387 L393 F448 L486 L514	A385-A389 WeakPolarHBondContact O-CB 3.46Å; A385-A389 PolarHBondContact O-N 3.22Å; A385-A389 VanDerWaalsContact O-N 3.09Å; E386-A389 PolarHBondContact O-N 3.14Å; Q387-A389 PolarHBondContact O-N 3.47Å; A389-L393 WeakPolarHBondContact O-CB 3.47Å; A389-L393 WeakPolarHBondContact O-CG 3.35Å; A389-L393 PolarHBondContact O-N 2.94Å; A389-F448 HydrophobicContact CB-CE2 4.3Å; A389-F448 HydrophobicContact CB-CZ 4.47Å; A389-L486 HydrophobicContact CB-CD1 4.13Å; A389-L486 HydrophobicContact CB-CD2 4Å; A389-L514 HydrophobicContact CB-CD1 4.22Å; A389-L514 HydrophobicContact CB-CD2 3.54Å; A389-L514 HydrophobicContact CB-CG 4.03Å
390	H	98.8	Very high	98.7	Very high	48 Å²	48	18.2 Å²	18.2	22%	0.222	9%	0.087	C	C	.	.	H	α-helix	trans	-61.7	-50.6	173.8	171.9	51.8	0	0	0	110.6	E386 Q387 Y388 L393 E394 E470 L486 R488	E386-H390 WeakPolarHBondContact O-CB 3.24Å; E386-H390 PolarHBondContact O-N 2.62Å; Q387-H390 PolarHBondContact O-N 2.91Å; Y388-H390 PolarHBondContact O-N 2.8Å; H390-L393 PolarHBondContact O-N 2.76Å; H390-E394 WeakPolarHBondContact O-CB 3.38Å; H390-E394 PolarHBondContact O-N 2.97Å; H390-E470 IonicContact CE1-OE2 2.64Å; H390-E470 IonicContact CG-OE2 3.04Å; H390-E470 IonicContact ND1-OE1 3.34Å; H390-E470 IonicContact ND1-OE2 3.84Å; H390-E470 PolarHBondContact ND1-OE2 3.36Å; H390-L486 HydrophobicContact CB-CD2 3.99Å; H390-R488 PolarHBondContact CD2-NH1 2.93Å; H390-R488 PolarHBondContact CE1-NH2 3.23Å; H390-R488 VanDerWaalsContact CG-CZ 3.47Å; H390-R488 PolarHBondContact ND1-NH2 3.13Å
391	D	98.8	Very high	98.7	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-48.8	-178.6	-171.7	65.2	0	0	0	111.5	W337 Q387 Y388 L393 E394 D395 W403	W337-D391 VanDerWaalsContact CD1-CG 3.49Å; W337-D391 HydrophobicContact CD2-CB 4.27Å; W337-D391 HydrophobicContact CZ2-CB 4.12Å; W337-D391 PolarHBondContact NE1-OD1 3.25Å; Q387-D391 WeakPolarHBondContact O-CB 3.11Å; Q387-D391 PolarHBondContact O-N 3.42Å; Y388-D391 PolarHBondContact O-N 2.6Å; D391-L393 VanDerWaalsContact C-N 3.32Å; D391-L393 PolarHBondContact O-N 3.34Å; D391-E394 PolarHBondContact O-N 2.82Å; D391-E394 VanDerWaalsContact O-N 3.09Å; D391-D395 WeakPolarHBondContact O-CB 3.33Å; D391-D395 PolarHBondContact O-N 3.09Å; D391-W403 PolarHBondContact OD2-NE1 2.95Å
392	I	98.9	Very high	98.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.6	-42.5	176.7	-62.6	161.2	0	0	0	111.2	F106 Y388 L396 W403 M445 F448	F106-I392 HydrophobicContact CE1-CG2 3.93Å; Y388-I392 WeakPolarHBondContact O-CB 3.45Å; Y388-I392 WeakPolarHBondContact O-CD1 3.18Å; Y388-I392 WeakPolarHBondContact O-CG1 3.37Å; Y388-I392 PolarHBondContact O-N 2.72Å; I392-L396 HydrophobicContact CG2-CD1 3.75Å; I392-L396 HydrophobicContact CG2-CG 4.16Å; I392-L396 VanDerWaalsContact O-CB 3.32Å; I392-L396 WeakPolarHBondContact O-CB 3.35Å; I392-L396 WeakPolarHBondContact O-CG 3.47Å; I392-L396 PolarHBondContact O-N 3.2Å; I392-W403 HydrophobicContact CD1-CD2 4.28Å; I392-W403 HydrophobicContact CD1-CE3 4.28Å; I392-W403 HydrophobicContact CG1-CB 4.37Å; I392-W403 HydrophobicContact CG1-CD2 3.68Å; I392-W403 HydrophobicContact CG1-CE3 4.19Å; I392-W403 HydrophobicContact CG1-CG 3.79Å; I392-W403 HydrophobicContact CG1-CZ2 4.22Å; I392-M445 HydrophobicContact CD1-SD 3.54Å; I392-M445 VanDerWaalsContact CD1-SD 3.54Å; I392-F448 HydrophobicContact CB-CD1 4.44Å; I392-F448 HydrophobicContact CB-CD2 4.31Å; I392-F448 HydrophobicContact CB-CE1 4.14Å; I392-F448 HydrophobicContact CB-CE2 4.02Å; I392-F448 HydrophobicContact CB-CZ 3.92Å; I392-F448 HydrophobicContact CD1-CD2 3.72Å; I392-F448 HydrophobicContact CD1-CE2 3.81Å; I392-F448 HydrophobicContact CD1-CG 4.45Å; I392-F448 HydrophobicContact CG2-CB 4.4Å; I392-F448 HydrophobicContact CG2-CD1 3.43Å; I392-F448 VanDerWaalsContact CG2-CD1 3.43Å; I392-F448 HydrophobicContact CG2-CD2 3.87Å; I392-F448 HydrophobicContact CG2-CE1 3.51Å; I392-F448 HydrophobicContact CG2-CE2 3.97Å; I392-F448 HydrophobicContact CG2-CG 3.63Å; I392-F448 HydrophobicContact CG2-CZ 3.79Å
393	L	98.9	Very high	98.7	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-65.9	-39.1	176.5	-80.3	169	0	0	0	112.1	A389 H390 D391 N397 F448 E470 I484 L486	A389-L393 WeakPolarHBondContact O-CB 3.47Å; A389-L393 WeakPolarHBondContact O-CG 3.35Å; A389-L393 PolarHBondContact O-N 2.94Å; H390-L393 PolarHBondContact O-N 2.76Å; D391-L393 VanDerWaalsContact C-N 3.32Å; D391-L393 PolarHBondContact O-N 3.34Å; L393-N397 WeakPolarHBondContact O-CB 3.49Å; L393-N397 PolarHBondContact O-N 3.27Å; L393-N397 PolarHBondContact O-ND2 3.45Å; L393-N397 VanDerWaalsContact O-ND2 3.07Å; L393-F448 HydrophobicContact CD2-CE1 4Å; L393-F448 HydrophobicContact CD2-CZ 4.45Å; L393-F448 HydrophobicContact CG-CE1 3.96Å; L393-F448 HydrophobicContact CG-CZ 3.95Å; L393-E470 HydrophobicContact CD1-CB 3.94Å; L393-I484 HydrophobicContact CD2-CG2 4.45Å; L393-L486 HydrophobicContact CD1-CB 3.6Å; L393-L486 HydrophobicContact CD1-CD2 4.33Å
394	E	98.6	Very high	98.7	Very high	46 Å²	46	15.1 Å²	15.1	22%	0.215	7%	0.071	C	C	.	.	H	α-helix	trans	-63.3	-50.6	176.2	-172.9	169.9	-115.1	0	0	110.5	R310 A345 H390 D391 L396 N397 H398	R310-E394 IonicContact CZ-OE2 2.78Å; R310-E394 IonicContact NH1-OE2 3.85Å; R310-E394 PolarHBondContact NH1-OE2 2.84Å; R310-E394 IonicContact NH2-OE2 3.71Å; R310-E394 PolarHBondContact NH2-OE2 2.82Å; A345-E394 HydrophobicContact CB-CG 3.53Å; H390-E394 WeakPolarHBondContact O-CB 3.38Å; H390-E394 PolarHBondContact O-N 2.97Å; D391-E394 PolarHBondContact O-N 2.82Å; D391-E394 VanDerWaalsContact O-N 3.09Å; E394-L396 PolarHBondContact O-N 3.18Å; E394-N397 CarbonylContact O-C 3.46Å; E394-N397 WeakPolarHBondContact O-CA 3.44Å; E394-N397 PolarHBondContact O-N 2.81Å; E394-N397 VanDerWaalsContact O-N 3.08Å; E394-H398 PolarHBondContact O-N 3.38Å; E394-H398 PolarHBondContact O-ND1 2.83Å
395	D	98.8	Very high	98.7	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.032	7%	0.071	C	C	.	.	H	α-helix	trans	-56.9	-52.4	177.3	-96.9	15.9	0	0	0	112.1	L349 D391 N397 H398 Y399 V400	L349-D395 VanDerWaalsContact CD1-OD1 3.27Å; L349-D395 WeakPolarHBondContact CD1-OD1 3.42Å; D391-D395 WeakPolarHBondContact O-CB 3.33Å; D391-D395 PolarHBondContact O-N 3.09Å; D395-N397 PolarHBondContact O-N 3.49Å; D395-H398 CarbonylContact O-C 3.58Å; D395-H398 VanDerWaalsContact O-C 3.24Å; D395-H398 WeakPolarHBondContact O-CA 3.38Å; D395-H398 PolarHBondContact O-N 2.84Å; D395-Y399 PolarHBondContact O-N 2.96Å; D395-V400 HydrophobicContact CB-CB 3.79Å; D395-V400 HydrophobicContact CB-CG1 4.14Å; D395-V400 HydrophobicContact CB-CG2 3.83Å; D395-V400 VanDerWaalsContact O-CB 3.27Å; D395-V400 WeakPolarHBondContact O-CB 3.48Å; D395-V400 WeakPolarHBondContact O-CG2 3.45Å; D395-V400 PolarHBondContact O-N 2.84Å
396	L	98.8	Very high	98.7	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-62.5	-31.8	177.7	-66.4	178.5	0	0	0	111.2	Q101 I103 F106 I392 E394 H398 V400 F448 L452 R458 F474	Q101-L396 PolarHBondContact NE2-O 2.85Å; I103-L396 HydrophobicContact CD1-CD2 3.54Å; F106-L396 HydrophobicContact CE1-CD1 4.49Å; F106-L396 HydrophobicContact CZ-CD1 4.14Å; F106-L396 HydrophobicContact CZ-CD2 4.35Å; I392-L396 HydrophobicContact CG2-CD1 3.75Å; I392-L396 HydrophobicContact CG2-CG 4.16Å; I392-L396 VanDerWaalsContact O-CB 3.32Å; I392-L396 WeakPolarHBondContact O-CB 3.35Å; I392-L396 WeakPolarHBondContact O-CG 3.47Å; I392-L396 PolarHBondContact O-N 3.2Å; E394-L396 PolarHBondContact O-N 3.18Å; L396-H398 VanDerWaalsContact C-N 3.26Å; L396-H398 PolarHBondContact O-N 2.75Å; L396-V400 WeakPolarHBondContact CD2-O 3.35Å; L396-F448 HydrophobicContact CD1-CD1 3.93Å; L396-F448 HydrophobicContact CD1-CE1 4.28Å; L396-L452 HydrophobicContact CD1-CD1 4.08Å; L396-R458 WeakPolarHBondContact O-CD 3.48Å; L396-R458 PolarHBondContact O-NH1 2.82Å; L396-F474 HydrophobicContact CB-CZ 4.17Å; L396-F474 HydrophobicContact CD1-CE1 4.29Å; L396-F474 HydrophobicContact CD1-CZ 3.68Å; L396-F474 HydrophobicContact CG-CZ 4.43Å
397	N	98.8	Very high	98.7	Very high	42 Å²	42	14.7 Å²	14.7	23%	0.225	7%	0.069	C	C	.	.	H	α-helix	trans	-74.6	-14.9	175.5	-76.3	-31.9	0	0	0	114	L393 E394 D395 R458 F471 S472	L393-N397 WeakPolarHBondContact O-CB 3.49Å; L393-N397 PolarHBondContact O-N 3.27Å; L393-N397 PolarHBondContact O-ND2 3.45Å; L393-N397 VanDerWaalsContact O-ND2 3.07Å; E394-N397 CarbonylContact O-C 3.46Å; E394-N397 WeakPolarHBondContact O-CA 3.44Å; E394-N397 PolarHBondContact O-N 2.81Å; E394-N397 VanDerWaalsContact O-N 3.08Å; D395-N397 PolarHBondContact O-N 3.49Å; N397-R458 VanDerWaalsContact CA-CZ 3.43Å; N397-R458 PolarHBondContact O-NH1 3.12Å; N397-R458 PolarHBondContact O-NH2 3.17Å; N397-R458 PolarHBondContact OD1-NE 3.4Å; N397-R458 PolarHBondContact OD1-NH2 2.86Å; N397-F471 PolarHBondContact ND2-O 3.19Å; N397-S472 WeakPolarHBondContact OD1-CB 3.39Å; N397-S472 PolarHBondContact OD1-OG 3.24Å
398	H	98.8	Very high	98.7	Very high	34 Å²	34	12.3 Å²	12.3	16%	0.157	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	45.6	176.8	-58.2	88	0	0	0	112.6	A345 E346 L349 E394 D395 L396 V400	A345-H398 HydrophobicContact CB-CB 4.42Å; A345-H398 WeakPolarHBondContact CB-ND1 3.46Å; E346-H398 IonicContact OE2-CD2 3.67Å; E346-H398 PolarHBondContact OE2-CD2 2.87Å; E346-H398 IonicContact OE2-NE2 3.74Å; L349-H398 HydrophobicContact CB-CB 3.81Å; L349-H398 HydrophobicContact CD1-CB 4.17Å; E394-H398 PolarHBondContact O-N 3.38Å; E394-H398 PolarHBondContact O-ND1 2.83Å; D395-H398 CarbonylContact O-C 3.58Å; D395-H398 VanDerWaalsContact O-C 3.24Å; D395-H398 WeakPolarHBondContact O-CA 3.38Å; D395-H398 PolarHBondContact O-N 2.84Å; L396-H398 VanDerWaalsContact C-N 3.26Å; L396-H398 PolarHBondContact O-N 2.75Å; H398-V400 PolarHBondContact O-N 3.45Å
399	Y	98.8	Very high	98.7	Very high	55 Å²	55	12.3 Å²	12.3	22%	0.216	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	5.5	166.6	-49.7	-87	0	0	0	116.5	Y100 H353 D395 V401	Y100-Y399 HydrophobicContact CD1-CD1 4.49Å; Y100-Y399 AromaticContact CD1-CE1 3.77Å; Y100-Y399 HydrophobicContact CD1-CE1 3.77Å; Y100-Y399 HydrophobicContact CE1-CE1 4.49Å; H353-Y399 HydrophobicContact CB-CD2 3.74Å; H353-Y399 HydrophobicContact CB-CE2 4.42Å; H353-Y399 HydrophobicContact CB-CG 3.97Å; H353-Y399 AromaticContact CD2-CD1 3.31Å; H353-Y399 WeakPolarHBondContact CD2-CD1 3.22Å; H353-Y399 AromaticContact CD2-CD2 3.44Å; H353-Y399 VanDerWaalsContact CD2-CD2 3.44Å; H353-Y399 WeakPolarHBondContact CD2-CD2 3.35Å; H353-Y399 AromaticContact CD2-CE1 3.43Å; H353-Y399 VanDerWaalsContact CD2-CE1 3.43Å; H353-Y399 WeakPolarHBondContact CD2-CE1 3.45Å; H353-Y399 AromaticContact CD2-CE2 3.6Å; H353-Y399 AromaticContact CD2-CG 3.31Å; H353-Y399 AromaticContact CD2-CZ 3.59Å; H353-Y399 AromaticContact CE1-CD1 3.81Å; H353-Y399 AromaticContact CG-CD1 3.85Å; H353-Y399 AromaticContact CG-CD2 3.62Å; H353-Y399 AromaticContact CG-CG 3.43Å; H353-Y399 VanDerWaalsContact CG-CG 3.43Å; H353-Y399 AromaticContact ND1-CG 3.92Å; H353-Y399 AromaticContact NE2-CD1 3.29Å; H353-Y399 VanDerWaalsContact NE2-CD1 3.29Å; H353-Y399 WeakPolarHBondContact NE2-CD1 3.35Å; H353-Y399 AromaticContact NE2-CE1 3.44Å; H353-Y399 WeakPolarHBondContact NE2-CE1 3.33Å; H353-Y399 AromaticContact NE2-CG 3.75Å; D395-Y399 PolarHBondContact O-N 2.96Å; Y399-V401 PolarHBondContact O-N 2.93Å
400	V	98.9	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	134.5	173.5	-177.1	0	0	0	0	109.7	Q101 L349 L361 D395 L396 H398 G402	Q101-V400 PolarHBondContact NE2-O 3.41Å; L349-V400 HydrophobicContact CD1-CG2 3.87Å; L349-V400 HydrophobicContact CD2-CG2 4.27Å; L361-V400 HydrophobicContact CB-CG2 4Å; L361-V400 WeakPolarHBondContact O-CA 3.31Å; D395-V400 HydrophobicContact CB-CB 3.79Å; D395-V400 HydrophobicContact CB-CG1 4.14Å; D395-V400 HydrophobicContact CB-CG2 3.83Å; D395-V400 VanDerWaalsContact O-CB 3.27Å; D395-V400 WeakPolarHBondContact O-CB 3.48Å; D395-V400 WeakPolarHBondContact O-CG2 3.45Å; D395-V400 PolarHBondContact O-N 2.84Å; L396-V400 WeakPolarHBondContact CD2-O 3.35Å; H398-V400 PolarHBondContact O-N 3.45Å; V400-G402 WeakPolarHBondContact CG1-O 3.41Å
401	V	98.8	Very high	98.7	Very high	14 Å²	14	12.1 Å²	12.1	9%	0.085	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-8.8	-171.7	-51.4	0	0	0	0	113.1	Q101 R102 I103 K104 Y360 L361 F362 Y399	Q101-V401 HydrophobicContact CB-CG1 4Å; Q101-V401 HydrophobicContact CG-CG1 3.95Å; R102-V401 WeakPolarHBondContact O-CB 3.45Å; I103-V401 CarbonylContact C-O 3.55Å; I103-V401 VanDerWaalsContact CA-O 3.27Å; I103-V401 WeakPolarHBondContact CA-O 3.36Å; K104-V401 HydrophobicContact CB-CB 4.4Å; K104-V401 HydrophobicContact CB-CG2 3.82Å; K104-V401 PolarHBondContact N-O 3.35Å; Y360-V401 HydrophobicContact CD2-CG2 3.88Å; Y360-V401 HydrophobicContact CG-CG2 4.26Å; L361-V401 WeakPolarHBondContact O-CG2 3.27Å; L361-V401 PolarHBondContact O-N 2.81Å; F362-V401 HydrophobicContact CB-CG2 4.38Å; F362-V401 HydrophobicContact CD2-CG2 3.75Å; Y399-V401 PolarHBondContact O-N 2.93Å
402	G	98.7	Very high	98.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	168.5	-179.8	0	0	0	0	0	111.3	G105 G363 V400	G105-G402 CarbonylContact O-C 3.04Å; G105-G402 WeakPolarHBondContact O-CA 3.46Å; G363-G402 PolarHBondContact N-O 2.83Å; V400-G402 WeakPolarHBondContact CG1-O 3.41Å
403	W	98.9	Very high	98.7	Very high	4 Å²	4	20 Å²	20	2%	0.015	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	135.2	-169.5	-165.1	101.9	0	0	0	111.1	G105 F106 G107 W337 G363 A366 Y388 D391 I392 D405 M445	G105-W403 PolarHBondContact O-N 3.19Å; F106-W403 VanDerWaalsContact CA-O 3.25Å; F106-W403 WeakPolarHBondContact CA-O 3.37Å; F106-W403 HydrophobicContact CD1-CB 3.91Å; F106-W403 HydrophobicContact CE1-CB 4.03Å; G107-W403 PolarHBondContact N-O 3.39Å; W337-W403 HydrophobicContact CE3-CZ2 4.33Å; G363-W403 CarbonylContact O-C 3.59Å; G363-W403 WeakPolarHBondContact O-CA 3.49Å; A366-W403 HydrophobicContact CB-CH2 3.26Å; A366-W403 HydrophobicContact CB-CZ2 2.98Å; A366-W403 HydrophobicContact CB-CZ3 4.15Å; Y388-W403 AromaticContact CD1-CH2 3.6Å; Y388-W403 HydrophobicContact CD1-CH2 3.6Å; Y388-W403 HydrophobicContact CD1-CZ3 4.06Å; Y388-W403 AromaticContact CE1-CH2 3.62Å; Y388-W403 HydrophobicContact CE1-CH2 3.62Å; Y388-W403 HydrophobicContact CE1-CZ3 4.03Å; Y388-W403 HydrophobicContact CG-CH2 4.24Å; D391-W403 PolarHBondContact OD2-NE1 2.95Å; I392-W403 HydrophobicContact CD1-CD2 4.28Å; I392-W403 HydrophobicContact CD1-CE3 4.28Å; I392-W403 HydrophobicContact CG1-CB 4.37Å; I392-W403 HydrophobicContact CG1-CD2 3.68Å; I392-W403 HydrophobicContact CG1-CE3 4.19Å; I392-W403 HydrophobicContact CG1-CG 3.79Å; I392-W403 HydrophobicContact CG1-CZ2 4.22Å; W403-D405 HydrophobicContact CZ3-CB 3.84Å; W403-D405 VanDerWaalsContact CZ3-N 3.34Å; W403-M445 HydrophobicContact CE3-CE 3.68Å; W403-M445 HydrophobicContact CE3-SD 3.67Å; W403-M445 HydrophobicContact CH2-SD 4.36Å; W403-M445 HydrophobicContact CZ3-CE 3.81Å; W403-M445 HydrophobicContact CZ3-SD 3.45Å; W403-M445 WeakPolarHBondContact CZ3-SD 3.38Å
404	T	98.8	Very high	98.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118.4	-172.2	-49.3	0	0	0	0	110.1	R145 F362 G363 T364 E365 A366	R145-T404 HydrophobicContact CB-CG2 4.11Å; F362-T404 VanDerWaalsContact CE1-OG1 3.23Å; F362-T404 WeakPolarHBondContact CE1-OG1 3.49Å; F362-T404 WeakPolarHBondContact CZ-OG1 3.41Å; G363-T404 WeakPolarHBondContact O-CB 3.12Å; G363-T404 PolarHBondContact O-N 3.24Å; G363-T404 PolarHBondContact O-OG1 3.27Å; T364-T404 WeakPolarHBondContact O-CB 3.37Å; E365-T404 CarbonylContact C-O 3.53Å; E365-T404 WeakPolarHBondContact CA-O 3.31Å; A366-T404 PolarHBondContact N-O 3.32Å
405	D	98	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	162.4	169.5	178	53.9	0	0	0	110.8	G107 G108 A109 A366 Y388 W403 P426 M445	G107-D405 WeakPolarHBondContact O-CB 3.46Å; G107-D405 PolarHBondContact O-N 3.04Å; G108-D405 CarbonylContact C-O 3.56Å; G108-D405 VanDerWaalsContact CA-O 3.26Å; G108-D405 WeakPolarHBondContact CA-O 3.43Å; A109-D405 PolarHBondContact N-O 3.01Å; A366-D405 CarbonylContact O-C 3.57Å; Y388-D405 HydrophobicContact CE1-CB 4.49Å; Y388-D405 VanDerWaalsContact CE1-OD1 3.31Å; Y388-D405 WeakPolarHBondContact CE1-OD1 3.32Å; Y388-D405 PolarHBondContact OH-OD1 2.95Å; W403-D405 HydrophobicContact CZ3-CB 3.84Å; W403-D405 VanDerWaalsContact CZ3-N 3.34Å; D405-P426 WeakPolarHBondContact OD2-CD 3.32Å; D405-P426 WeakPolarHBondContact OD2-CG 3.25Å; D405-M445 HydrophobicContact CB-CE 4.5Å
406	W	98.1	Very high	98.6	Very high	4 Å²	4	19 Å²	19	2%	0.015	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-114	175.5	-161.5	-144.1	0	0	0	113.1	A109 F153 W204 E365 A366 C367 L408	A109-W406 VanDerWaalsContact CA-O 3.3Å; A109-W406 WeakPolarHBondContact CA-O 3.3Å; A109-W406 HydrophobicContact CB-CE3 3.98Å; A109-W406 HydrophobicContact CB-CZ3 4.41Å; A109-W406 WeakPolarHBondContact CB-O 3.47Å; A109-W406 PolarHBondContact N-O 3.33Å; F153-W406 AromaticContact CD2-NE1 3.4Å; F153-W406 AromaticContact CE2-CD1 3.86Å; F153-W406 AromaticContact CE2-NE1 3.44Å; W204-W406 AromaticContact CH2-CH2 3.38Å; W204-W406 HydrophobicContact CH2-CH2 3.38Å; W204-W406 AromaticContact CH2-CZ2 3.96Å; W204-W406 HydrophobicContact CH2-CZ2 3.96Å; W204-W406 HydrophobicContact CH2-CZ3 4.21Å; W204-W406 AromaticContact CZ2-CH2 3.09Å; W204-W406 HydrophobicContact CZ2-CH2 3.09Å; W204-W406 AromaticContact CZ2-CZ2 3.28Å; W204-W406 HydrophobicContact CZ2-CZ2 3.28Å; W204-W406 HydrophobicContact CZ2-CZ3 4.28Å; E365-W406 HydrophobicContact CB-CE3 3.91Å; E365-W406 HydrophobicContact CB-CZ3 3.83Å; E365-W406 HydrophobicContact CG-CD2 3.8Å; E365-W406 HydrophobicContact CG-CE3 3.33Å; E365-W406 HydrophobicContact CG-CG 4.34Å; E365-W406 HydrophobicContact CG-CH2 4.08Å; E365-W406 HydrophobicContact CG-CZ3 3.49Å; E365-W406 VanDerWaalsContact CG-CZ3 3.49Å; E365-W406 WeakPolarHBondContact OE1-CZ2 3.29Å; E365-W406 WeakPolarHBondContact OE2-CH2 3.22Å; E365-W406 WeakPolarHBondContact OE2-CZ3 2.84Å; A366-W406 WeakPolarHBondContact O-CB 3.48Å; A366-W406 PolarHBondContact O-N 3.46Å; C367-W406 HydrophobicContact CB-CB 3.73Å; W406-L408 PolarHBondContact O-N 3.44Å
407	N	98.8	Very high	98.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122	-175.7	-64.4	-78.8	0	0	0	111	T111 F153 A409 L410 S425	T111-N407 WeakPolarHBondContact CB-OD1 3.25Å; T111-N407 WeakPolarHBondContact CG2-OD1 3.46Å; T111-N407 PolarHBondContact OG1-OD1 3.39Å; F153-N407 WeakPolarHBondContact CB-OD1 3.33Å; F153-N407 VanDerWaalsContact CD1-ND2 3.33Å; F153-N407 WeakPolarHBondContact CD1-ND2 3.35Å; F153-N407 WeakPolarHBondContact CD1-OD1 3.28Å; F153-N407 WeakPolarHBondContact CD2-ND2 3.4Å; F153-N407 VanDerWaalsContact CE1-ND2 3.29Å; F153-N407 WeakPolarHBondContact CE1-ND2 3.44Å; F153-N407 WeakPolarHBondContact CE2-ND2 3.32Å; F153-N407 WeakPolarHBondContact CG-ND2 3.06Å; F153-N407 WeakPolarHBondContact CG-OD1 3.34Å; F153-N407 WeakPolarHBondContact CZ-ND2 3.11Å; N407-A409 PolarHBondContact O-N 3.4Å; N407-A409 VanDerWaalsContact O-N 3.13Å; N407-L410 HydrophobicContact CB-CD1 3.98Å; N407-L410 HydrophobicContact CB-CD2 3.73Å; N407-L410 HydrophobicContact CB-CG 3.66Å; N407-S425 WeakPolarHBondContact O-CB 3.22Å; N407-S425 PolarHBondContact O-OG 3.36Å
408	L	98.9	Very high	98.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.105	C	C	.	.	S	Bend	trans	-55.5	-32.3	175.3	-78.3	168.7	0	0	0	113.4	A109 M110 A114 Y133 F134 Y141 W406	A109-L408 WeakPolarHBondContact O-CG 3.21Å; A109-L408 PolarHBondContact O-N 2.95Å; A109-L408 VanDerWaalsContact O-N 3.12Å; M110-L408 HydrophobicContact CB-CD1 4.38Å; M110-L408 HydrophobicContact CE-CD1 3.67Å; M110-L408 HydrophobicContact SD-CD1 4.43Å; A114-L408 HydrophobicContact CB-CB 4.2Å; Y133-L408 HydrophobicContact CD1-CD2 4.33Å; Y133-L408 HydrophobicContact CD2-CD2 4.17Å; Y133-L408 HydrophobicContact CE1-CD2 4.34Å; Y133-L408 HydrophobicContact CE2-CB 4.38Å; Y133-L408 HydrophobicContact CE2-CD2 4.14Å; Y133-L408 WeakPolarHBondContact CE2-O 3.42Å; Y133-L408 HydrophobicContact CG-CD2 4.24Å; Y133-L408 VanDerWaalsContact CZ-O 3.29Å; Y133-L408 PolarHBondContact OH-O 3.49Å; F134-L408 HydrophobicContact CZ-CD1 4.08Å; F134-L408 HydrophobicContact CZ-CD2 4.41Å; Y141-L408 HydrophobicContact CD2-CD2 3.96Å; Y141-L408 HydrophobicContact CE2-CD2 3.86Å; W406-L408 PolarHBondContact O-N 3.44Å
409	A	98.9	Very high	98.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.11	C	C	.	.			trans	-151.8	145.1	174	0	0	0	0	0	111	A114 N117 I118 L129 N407 S425 V427 V429	A114-A409 VanDerWaalsContact CA-O 3.24Å; A114-A409 WeakPolarHBondContact CA-O 3.27Å; N117-A409 HydrophobicContact CB-CB 4.41Å; I118-A409 HydrophobicContact CG1-CB 4.08Å; L129-A409 HydrophobicContact CD1-CB 4.49Å; N407-A409 PolarHBondContact O-N 3.4Å; N407-A409 VanDerWaalsContact O-N 3.13Å; A409-S425 WeakPolarHBondContact CA-OG 3.3Å; A409-V427 VanDerWaalsContact CA-O 3.27Å; A409-V427 WeakPolarHBondContact CA-O 3.5Å; A409-V427 HydrophobicContact CB-CB 4.47Å; A409-V427 HydrophobicContact CB-CG1 4.31Å; A409-V429 HydrophobicContact CB-CG2 4.24Å
410	L	98.9	Very high	98.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	167.7	170.4	-68	173.7	0	0	0	110.5	A113 N117 F153 N407 G415 V423 V427 I428 V429	A113-L410 HydrophobicContact CB-CD2 4Å; N117-L410 WeakPolarHBondContact ND2-CA 3.42Å; F153-L410 HydrophobicContact CD1-CD2 3.68Å; F153-L410 HydrophobicContact CE1-CD1 3.93Å; F153-L410 HydrophobicContact CE1-CD2 3.67Å; F153-L410 HydrophobicContact CE1-CG 4.49Å; N407-L410 HydrophobicContact CB-CD1 3.98Å; N407-L410 HydrophobicContact CB-CD2 3.73Å; N407-L410 HydrophobicContact CB-CG 3.66Å; L410-G415 WeakPolarHBondContact CD2-O 3.24Å; L410-V423 HydrophobicContact CD1-CG2 3.84Å; L410-V423 WeakPolarHBondContact CD1-O 3.37Å; L410-V427 PolarHBondContact N-O 2.9Å; L410-V427 VanDerWaalsContact N-O 3.09Å; L410-I428 HydrophobicContact CB-CD1 4.34Å; L410-I428 CarbonylContact O-C 3.51Å; L410-I428 VanDerWaalsContact O-CA 3.3Å; L410-I428 WeakPolarHBondContact O-CA 3.27Å; L410-V429 PolarHBondContact O-N 2.97Å
411	D	98.8	Very high	98.3	Very high	44 Å²	44	28.1 Å²	28.1	24%	0.235	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	176.7	168.5	67	21.5	0	0	0	111.6	N117 T413 G414 G415	N117-D411 PolarHBondContact ND2-N 2.86Å; N117-D411 WeakPolarHBondContact OD1-CB 3.11Å; N117-D411 PolarHBondContact OD1-N 3.2Å; D411-T413 PolarHBondContact O-N 3.3Å; D411-T413 VanDerWaalsContact OD1-CA 3.3Å; D411-T413 WeakPolarHBondContact OD1-CA 3.34Å; D411-T413 WeakPolarHBondContact OD1-CB 3.38Å; D411-T413 PolarHBondContact OD1-N 2.85Å; D411-T413 PolarHBondContact OD1-OG1 2.84Å; D411-T413 PolarHBondContact OD2-OG1 2.85Å; D411-G414 PolarHBondContact O-N 3.13Å; D411-G414 PolarHBondContact OD1-N 3.5Å; D411-G414 VanDerWaalsContact OD1-N 3.1Å; D411-G415 PolarHBondContact N-O 3.48Å; D411-G415 VanDerWaalsContact N-O 3.08Å; D411-G415 PolarHBondContact OD1-N 3.48Å
412	Q	98.3	Very high	98.3	Very high	85 Å²	85	30.2 Å²	30.2	40%	0.397	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-11.1	177.4	-70.3	179.6	84.1	0	0	114.7	I428 D430	Q412-I428 HydrophobicContact CB-CG2 4.32Å; Q412-I428 HydrophobicContact CG-CG2 3.74Å; Q412-D430 PolarHBondContact NE2-OD2 3.19Å
413	T	97.8	Very high	98.2	Very high	82 Å²	82	30.3 Å²	30.3	50%	0.503	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-8.4	174.2	72.6	0	0	0	0	112.9	D411 F422	D411-T413 PolarHBondContact O-N 3.3Å; D411-T413 VanDerWaalsContact OD1-CA 3.3Å; D411-T413 WeakPolarHBondContact OD1-CA 3.34Å; D411-T413 WeakPolarHBondContact OD1-CB 3.38Å; D411-T413 PolarHBondContact OD1-N 2.85Å; D411-T413 PolarHBondContact OD1-OG1 2.84Å; D411-T413 PolarHBondContact OD2-OG1 2.85Å; T413-F422 WeakPolarHBondContact O-CB 3.38Å; T413-F422 WeakPolarHBondContact O-CG 3.44Å
414	G	98.4	Very high	98.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	82	26.1	-173.7	0	0	0	0	0	113.2	F153 D411 F422 V423	F153-G414 WeakPolarHBondContact CE1-O 3.24Å; D411-G414 PolarHBondContact O-N 3.13Å; D411-G414 PolarHBondContact OD1-N 3.5Å; D411-G414 VanDerWaalsContact OD1-N 3.1Å; G414-F422 WeakPolarHBondContact O-CA 3.34Å; G414-F422 WeakPolarHBondContact O-CD1 3.38Å; G414-V423 WeakPolarHBondContact CA-O 3.4Å
415	G	98	Very high	98.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.			trans	-130	-163.7	-177.2	0	0	0	0	0	114	N117 L410 D411	N117-G415 PolarHBondContact ND2-O 2.79Å; L410-G415 WeakPolarHBondContact CD2-O 3.24Å; D411-G415 PolarHBondContact N-O 3.48Å; D411-G415 VanDerWaalsContact N-O 3.08Å; D411-G415 PolarHBondContact OD1-N 3.48Å
416	P	98.5	Very high	98.3	Very high	32 Å²	32	30.3 Å²	30.3	21%	0.208	15%	0.149	C	C	.	.			cis	-72.1	148	2.6	30	-36.2	0	0	0	113.1	A113 I116 N117 T155	A113-P416 HydrophobicContact CB-CG 4.01Å; A113-P416 WeakPolarHBondContact CB-O 3.46Å; I116-P416 HydrophobicContact CD1-CG 4.05Å; I116-P416 HydrophobicContact CG2-CG 4.31Å; N117-P416 WeakPolarHBondContact ND2-CD 3.29Å; T155-P416 HydrophobicContact CG2-CB 3.98Å; T155-P416 HydrophobicContact CG2-CG 4.02Å
417	N	98.6	Very high	98.3	Very high	11 Å²	11	30.1 Å²	30.1	6%	0.059	15%	0.149	C	C	.	.			trans	-147.5	120.4	174.9	-179.4	-63	0	0	0	108	D152 F153 V419 K420 N421 F422	D152-N417 VanDerWaalsContact C-ND2 3.31Å; D152-N417 VanDerWaalsContact O-CA 3.32Å; D152-N417 WeakPolarHBondContact O-CA 3.4Å; D152-N417 PolarHBondContact O-ND2 3.41Å; D152-N417 PolarHBondContact O-OD1 2.93Å; D152-N417 PolarHBondContact OD2-ND2 3.35Å; F153-N417 HydrophobicContact CD1-CB 4.17Å; F153-N417 HydrophobicContact CE1-CB 4.14Å; F153-N417 WeakPolarHBondContact CE2-ND2 3.19Å; F153-N417 WeakPolarHBondContact CZ-ND2 3.43Å; N417-V419 PolarHBondContact O-N 3.41Å; N417-V419 WeakPolarHBondContact OD1-CG1 3.14Å; N417-V419 PolarHBondContact OD1-N 2.85Å; N417-V419 VanDerWaalsContact OD1-N 3.16Å; N417-K420 PolarHBondContact O-N 2.97Å; N417-K420 VanDerWaalsContact O-N 3.08Å; N417-K420 PolarHBondContact OD1-N 2.84Å; N417-K420 VanDerWaalsContact OD1-N 3.1Å; N417-N421 PolarHBondContact ND2-O 3.09Å; N417-N421 PolarHBondContact OD1-N 3.18Å; N417-F422 HydrophobicContact CB-CD1 3.95Å; N417-F422 HydrophobicContact CB-CE1 4.01Å
418	W	98.3	Very high	98.3	Very high	83 Å²	83	30.1 Å²	30.1	31%	0.314	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.6	-168.8	73.3	-87.4	0	0	0	113.5	C151 D152 S154 L157 I217 F271	C151-W418 PolarHBondContact O-NE1 3.01Å; D152-W418 VanDerWaalsContact O-CD1 3.24Å; D152-W418 PolarHBondContact O-N 3.15Å; D152-W418 VanDerWaalsContact O-N 3.14Å; S154-W418 VanDerWaalsContact O-CB 3.3Å; S154-W418 WeakPolarHBondContact O-CB 3.31Å; S154-W418 PolarHBondContact O-N 3.43Å; S154-W418 VanDerWaalsContact O-N 3.1Å; L157-W418 HydrophobicContact CD1-CH2 4.15Å; L157-W418 HydrophobicContact CD1-CZ2 4.33Å; L157-W418 HydrophobicContact CD2-CD2 4.32Å; L157-W418 HydrophobicContact CD2-CH2 4.11Å; L157-W418 HydrophobicContact CD2-CZ2 3.45Å; L157-W418 VanDerWaalsContact CD2-CZ2 3.45Å; L157-W418 HydrophobicContact CG-CH2 4.38Å; L157-W418 HydrophobicContact CG-CZ2 4.16Å; I217-W418 HydrophobicContact CG2-CH2 3.84Å; I217-W418 HydrophobicContact CG2-CZ2 3.87Å; F271-W418 HydrophobicContact CB-CZ2 3.98Å
419	V	97.6	Very high	98.3	Very high	43 Å²	43	30.2 Å²	30.2	26%	0.261	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	4.8	178.2	67	0	0	0	0	112.5	D152 F271 N417 N421	D152-V419 HydrophobicContact CB-CG1 3.96Å; F271-V419 HydrophobicContact CB-CG1 4.02Å; F271-V419 HydrophobicContact CD1-CG1 4.05Å; F271-V419 HydrophobicContact CG-CG1 4.41Å; N417-V419 PolarHBondContact O-N 3.41Å; N417-V419 WeakPolarHBondContact OD1-CG1 3.14Å; N417-V419 PolarHBondContact OD1-N 2.85Å; N417-V419 VanDerWaalsContact OD1-N 3.16Å; V419-N421 HydrophobicContact CG1-CB 3.84Å; V419-N421 PolarHBondContact O-N 2.76Å
420	K	96.8	Very high	98.3	Very high	153 Å²	153	31 Å²	31	67%	0.665	15%	0.154	S	C	*	.			trans	60	31	-177.7	-53.3	177.6	179.7	178.6	0	113.4	N417 F422	N417-K420 PolarHBondContact O-N 2.97Å; N417-K420 VanDerWaalsContact O-N 3.08Å; N417-K420 PolarHBondContact OD1-N 2.84Å; N417-K420 VanDerWaalsContact OD1-N 3.1Å; K420-F422 HydrophobicContact CB-CD2 4.35Å; K420-F422 HydrophobicContact CB-CE1 4.46Å; K420-F422 HydrophobicContact CB-CE2 3.73Å; K420-F422 HydrophobicContact CB-CZ 3.8Å; K420-F422 HydrophobicContact CG-CE2 4.14Å; K420-F422 HydrophobicContact CG-CZ 3.88Å; K420-F422 PolarHBondContact O-N 3.35Å
421	N	96.5	Very high	98.3	Very high	35 Å²	35	33.3 Å²	33.3	19%	0.187	17%	0.172	C	C	.	.			trans	-82.1	59.6	171.5	-169.3	43.6	0	0	0	110.8	D152 F153 R375 N417 V419	D152-N421 PolarHBondContact OD2-ND2 3.12Å; F153-N421 WeakPolarHBondContact CZ-O 3.42Å; R375-N421 PolarHBondContact NH1-OD1 3.25Å; R375-N421 PolarHBondContact NH2-OD1 3Å; N417-N421 PolarHBondContact ND2-O 3.09Å; N417-N421 PolarHBondContact OD1-N 3.18Å; V419-N421 HydrophobicContact CG1-CB 3.84Å; V419-N421 PolarHBondContact O-N 2.76Å
422	F	98.1	Very high	98.2	Very high	57 Å²	57	40.9 Å²	40.9	25%	0.25	20%	0.203	C	C	.	.			trans	-68.7	140.9	-174.8	-53.4	-51.3	0	0	0	112.2	R375 T413 G414 N417 K420	R375-F422 WeakPolarHBondContact CG-O 3.42Å; T413-F422 WeakPolarHBondContact O-CB 3.38Å; T413-F422 WeakPolarHBondContact O-CG 3.44Å; G414-F422 WeakPolarHBondContact O-CA 3.34Å; G414-F422 WeakPolarHBondContact O-CD1 3.38Å; N417-F422 HydrophobicContact CB-CD1 3.95Å; N417-F422 HydrophobicContact CB-CE1 4.01Å; K420-F422 HydrophobicContact CB-CD2 4.35Å; K420-F422 HydrophobicContact CB-CE1 4.46Å; K420-F422 HydrophobicContact CB-CE2 3.73Å; K420-F422 HydrophobicContact CB-CZ 3.8Å; K420-F422 HydrophobicContact CG-CE2 4.14Å; K420-F422 HydrophobicContact CG-CZ 3.88Å; K420-F422 PolarHBondContact O-N 3.35Å
423	V	98.4	Very high	98.2	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	21%	0.207	C	C	.	.			trans	-136.3	176.4	179.3	-54	0	0	0	0	110.4	F153 C367 G369 W370 L410 G414	F153-V423 HydrophobicContact CE1-CG2 4.09Å; F153-V423 HydrophobicContact CE2-CG2 4.09Å; F153-V423 HydrophobicContact CZ-CB 4.28Å; F153-V423 HydrophobicContact CZ-CG1 4.14Å; F153-V423 HydrophobicContact CZ-CG2 3.37Å; C367-V423 HydrophobicContact CB-CG2 4.31Å; G369-V423 WeakPolarHBondContact O-CA 2.99Å; W370-V423 HydrophobicContact CB-CG1 4.05Å; L410-V423 HydrophobicContact CD1-CG2 3.84Å; L410-V423 WeakPolarHBondContact CD1-O 3.37Å; G414-V423 WeakPolarHBondContact CA-O 3.4Å
424	D	98.6	Very high	98.3	Very high	2 Å²	2	41 Å²	41	1%	0.011	19%	0.194	C	C	.	.			trans	-86.5	166.8	173.1	-149.6	-24.2	0	0	0	110.9	A368 K378 H384 Q439	A368-D424 HydrophobicContact CB-CB 4.48Å; A368-D424 PolarHBondContact O-N 3.2Å; K378-D424 PolarHBondContact N-OD2 3.08Å; K378-D424 VanDerWaalsContact N-OD2 3.11Å; H384-D424 IonicContact CE1-OD2 3.54Å; H384-D424 PolarHBondContact CE1-OD2 3Å; H384-D424 VanDerWaalsContact CE1-OD2 3.27Å; H384-D424 IonicContact ND1-OD2 3.75Å; H384-D424 PolarHBondContact ND1-OD2 2.99Å; D424-Q439 PolarHBondContact OD1-NE2 2.97Å; D424-Q439 PolarHBondContact OD2-NE2 3.04Å; D424-Q439 VanDerWaalsContact OD2-NE2 3.17Å
425	S	98.8	Very high	98.3	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	20%	0.197	C	C	.	.			trans	-147.7	146.2	174.9	167.6	0	0	0	0	109.9	N407 A409 V427 I428 Q439	N407-S425 WeakPolarHBondContact O-CB 3.22Å; N407-S425 PolarHBondContact O-OG 3.36Å; A409-S425 WeakPolarHBondContact CA-OG 3.3Å; S425-V427 PolarHBondContact O-N 2.96Å; S425-V427 PolarHBondContact OG-N 3.23Å; S425-V427 PolarHBondContact OG-O 2.83Å; S425-I428 WeakPolarHBondContact O-CD1 3.41Å; S425-Q439 VanDerWaalsContact O-CG 3.29Å; S425-Q439 WeakPolarHBondContact O-CG 3.25Å
426	P	98.8	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-56.1	-22.1	176.9	-25.6	35.4	0	0	0	115.3	Y388 D405 Q439 T441 F442	Y388-P426 HydrophobicContact CE1-CG 4.11Å; D405-P426 WeakPolarHBondContact OD2-CD 3.32Å; D405-P426 WeakPolarHBondContact OD2-CG 3.25Å; P426-Q439 WeakPolarHBondContact O-CB 3.41Å; P426-Q439 PolarHBondContact O-N 2.69Å; P426-T441 WeakPolarHBondContact CA-OG1 3.47Å; P426-F442 HydrophobicContact CB-CB 3.98Å
427	V	98.9	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.5	172.7	170.6	0	0	0	0	110.9	L129 Y133 A409 L410 S425 F436 Y437 K438 F442	L129-V427 HydrophobicContact CD1-CG1 3.77Å; L129-V427 HydrophobicContact CG-CG1 4.16Å; Y133-V427 HydrophobicContact CE2-CB 4.22Å; Y133-V427 HydrophobicContact CE2-CG2 3.78Å; Y133-V427 WeakPolarHBondContact OH-CG2 3.39Å; A409-V427 VanDerWaalsContact CA-O 3.27Å; A409-V427 WeakPolarHBondContact CA-O 3.5Å; A409-V427 HydrophobicContact CB-CB 4.47Å; A409-V427 HydrophobicContact CB-CG1 4.31Å; L410-V427 PolarHBondContact N-O 2.9Å; L410-V427 VanDerWaalsContact N-O 3.09Å; S425-V427 PolarHBondContact O-N 2.96Å; S425-V427 PolarHBondContact OG-N 3.23Å; S425-V427 PolarHBondContact OG-O 2.83Å; V427-F436 HydrophobicContact CG1-CB 3.98Å; V427-F436 HydrophobicContact CG1-CD2 3.71Å; V427-F436 HydrophobicContact CG1-CG 4.17Å; V427-Y437 WeakPolarHBondContact CA-O 3.27Å; V427-K438 HydrophobicContact CG2-CG 4.28Å; V427-F442 HydrophobicContact CG2-CD2 3.96Å; V427-F442 HydrophobicContact CG2-CE2 4.47Å
428	I	98.9	Very high	98.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.3	178	-56.2	-57.9	0	0	0	110.5	V377 L379 L410 Q412 S425 F436 Y437 Q439	V377-I428 HydrophobicContact CB-CD1 4.42Å; V377-I428 HydrophobicContact CG1-CD1 3.85Å; V377-I428 HydrophobicContact CG1-CG1 3.79Å; V377-I428 HydrophobicContact CG1-CG2 4.33Å; V377-I428 HydrophobicContact CG2-CD1 3.63Å; V377-I428 HydrophobicContact CG2-CG1 4.49Å; L379-I428 HydrophobicContact CD2-CB 3.85Å; L379-I428 HydrophobicContact CD2-CG1 3.92Å; L379-I428 HydrophobicContact CD2-CG2 4Å; L410-I428 HydrophobicContact CB-CD1 4.34Å; L410-I428 CarbonylContact O-C 3.51Å; L410-I428 VanDerWaalsContact O-CA 3.3Å; L410-I428 WeakPolarHBondContact O-CA 3.27Å; Q412-I428 HydrophobicContact CB-CG2 4.32Å; Q412-I428 HydrophobicContact CG-CG2 3.74Å; S425-I428 WeakPolarHBondContact O-CD1 3.41Å; I428-F436 CarbonylContact O-C 3.46Å; I428-F436 VanDerWaalsContact O-CA 3.27Å; I428-F436 WeakPolarHBondContact O-CA 3.37Å; I428-Y437 HydrophobicContact CB-CD2 4.41Å; I428-Y437 HydrophobicContact CG2-CD2 4.4Å; I428-Y437 PolarHBondContact N-O 3.25Å; I428-Y437 PolarHBondContact O-N 2.82Å; I428-Q439 HydrophobicContact CG1-CG 4Å
429	V	98.9	Very high	98.4	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	133.6	-177.6	174.5	0	0	0	0	111.3	N117 L121 L129 A409 L410 A431 F436	N117-V429 HydrophobicContact CB-CB 4.23Å; N117-V429 HydrophobicContact CB-CG2 4.08Å; L121-V429 HydrophobicContact CD1-CG1 4.24Å; L121-V429 HydrophobicContact CD1-CG2 4.19Å; L121-V429 HydrophobicContact CD2-CG1 3.84Å; L121-V429 HydrophobicContact CG-CG1 3.84Å; L129-V429 HydrophobicContact CD1-CG2 4.08Å; A409-V429 HydrophobicContact CB-CG2 4.24Å; L410-V429 PolarHBondContact O-N 2.97Å; V429-A431 HydrophobicContact CG1-CB 4.4Å; V429-F436 HydrophobicContact CG2-CB 4.24Å
430	D	98.8	Very high	98.5	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.091	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	84.7	166.3	-173.5	-11.6	0	0	0	109.6	Q412 K432 R433 D434 V435 Y437	Q412-D430 PolarHBondContact NE2-OD2 3.19Å; D430-K432 PolarHBondContact O-N 3.47Å; D430-K432 PolarHBondContact OD1-N 2.8Å; D430-R433 PolarHBondContact O-N 2.91Å; D430-R433 VanDerWaalsContact O-N 3.1Å; D430-R433 PolarHBondContact OD1-N 3.06Å; D430-R433 VanDerWaalsContact OD2-CD 3.31Å; D430-R433 WeakPolarHBondContact OD2-CD 3.47Å; D430-D434 PolarHBondContact O-N 2.83Å; D430-D434 VanDerWaalsContact O-N 3.13Å; D430-V435 CarbonylContact C-O 3.58Å; D430-V435 HydrophobicContact CB-CG2 3.87Å; D430-V435 PolarHBondContact N-O 2.88Å; D430-V435 PolarHBondContact O-N 3Å; D430-Y437 HydrophobicContact CB-CE2 3.93Å
431	A	97.9	Very high	98.6	Very high	48 Å²	48	26.4 Å²	26.4	40%	0.397	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-60.2	-29.3	-177.3	0	0	0	0	0	113.1	S120 V429 R433 D434	S120-A431 WeakPolarHBondContact OG-CB 3.2Å; V429-A431 HydrophobicContact CG1-CB 4.4Å; A431-R433 PolarHBondContact O-N 3.12Å; A431-D434 PolarHBondContact O-N 2.81Å
432	K	98.2	Very high	98.7	Very high	204 Å²	204	24.7 Å²	24.7	89%	0.887	12%	0.118	S	C	*	.	G	3₁₀ helix	trans	-66	-29	179.6	-66.2	-179.9	-177.8	173.1	0	111.9	D430	D430-K432 PolarHBondContact O-N 3.47Å; D430-K432 PolarHBondContact OD1-N 2.8Å
433	R	98.4	Very high	98.7	Very high	127 Å²	127	22 Å²	22	48%	0.479	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-102.3	-2.8	179.6	-70.7	178.2	60.6	-162.8	-11.8	113	E42 D430 A431 V435 Y437	E42-R433 IonicContact OE1-NH2 3.96Å; E42-R433 IonicContact OE2-CZ 3.83Å; E42-R433 IonicContact OE2-NH2 2.83Å; E42-R433 PolarHBondContact OE2-NH2 2.89Å; D430-R433 PolarHBondContact O-N 2.91Å; D430-R433 VanDerWaalsContact O-N 3.1Å; D430-R433 PolarHBondContact OD1-N 3.06Å; D430-R433 VanDerWaalsContact OD2-CD 3.31Å; D430-R433 WeakPolarHBondContact OD2-CD 3.47Å; A431-R433 PolarHBondContact O-N 3.12Å; R433-V435 HydrophobicContact CB-CG1 4.27Å; R433-V435 HydrophobicContact CB-CG2 3.81Å; R433-V435 WeakPolarHBondContact O-CG1 3.39Å; R433-V435 PolarHBondContact O-N 3.45Å; R433-Y437 PolarHBondContact NH1-OH 2.86Å
434	D	98.6	Very high	98.7	Very high	43 Å²	43	22 Å²	22	23%	0.23	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	41.6	-170.8	-167	41.5	0	0	0	112.5	S122 D430 A431	S122-D434 WeakPolarHBondContact CB-OD1 3.39Å; S122-D434 WeakPolarHBondContact CB-OD2 3.38Å; S122-D434 PolarHBondContact N-OD1 3.44Å; S122-D434 VanDerWaalsContact OG-CG 3.28Å; S122-D434 PolarHBondContact OG-OD1 2.74Å; S122-D434 PolarHBondContact OG-OD2 2.98Å; D430-D434 PolarHBondContact O-N 2.83Å; D430-D434 VanDerWaalsContact O-N 3.13Å; A431-D434 PolarHBondContact O-N 2.81Å
435	V	98.9	Very high	98.7	Very high	9 Å²	9	21.9 Å²	21.9	6%	0.055	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	159.7	178	-54.7	0	0	0	0	111.2	E42 C43 N44 D430 R433 Y437	E42-V435 HydrophobicContact CG-CB 4.23Å; E42-V435 HydrophobicContact CG-CG1 4.36Å; E42-V435 HydrophobicContact CG-CG2 4.47Å; C43-V435 CarbonylContact O-C 3.48Å; C43-V435 WeakPolarHBondContact O-CA 3.46Å; C43-V435 VanDerWaalsContact O-CB 3.25Å; C43-V435 WeakPolarHBondContact O-CB 3.29Å; N44-V435 HydrophobicContact CB-CG1 4Å; D430-V435 CarbonylContact C-O 3.58Å; D430-V435 HydrophobicContact CB-CG2 3.87Å; D430-V435 PolarHBondContact N-O 2.88Å; D430-V435 PolarHBondContact O-N 3Å; R433-V435 HydrophobicContact CB-CG1 4.27Å; R433-V435 HydrophobicContact CB-CG2 3.81Å; R433-V435 WeakPolarHBondContact O-CG1 3.39Å; R433-V435 PolarHBondContact O-N 3.45Å; V435-Y437 HydrophobicContact CG2-CE1 4.16Å; V435-Y437 HydrophobicContact CG2-CE2 4.46Å
436	F	98.9	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154.3	166.1	65.2	-88.1	0	0	0	110.3	C43 L121 Q128 L129 Q132 V427 I428 V429 K438	C43-F436 HydrophobicContact CB-CD1 3.97Å; C43-F436 HydrophobicContact CB-CD2 3.93Å; C43-F436 HydrophobicContact CB-CE1 3.48Å; C43-F436 VanDerWaalsContact CB-CE1 3.48Å; C43-F436 HydrophobicContact CB-CE2 3.44Å; C43-F436 VanDerWaalsContact CB-CE2 3.44Å; C43-F436 HydrophobicContact CB-CG 4.18Å; C43-F436 HydrophobicContact CB-CZ 3.2Å; C43-F436 PolarHBondContact N-O 2.86Å; C43-F436 PolarHBondContact O-N 3.04Å; L121-F436 HydrophobicContact CD1-CB 4.46Å; L121-F436 HydrophobicContact CD1-CD1 4.12Å; Q128-F436 HydrophobicContact CB-CE1 4.08Å; Q128-F436 HydrophobicContact CB-CZ 4.24Å; L129-F436 HydrophobicContact CB-CD1 4.14Å; L129-F436 HydrophobicContact CB-CE1 3.82Å; L129-F436 HydrophobicContact CB-CE2 4.33Å; L129-F436 HydrophobicContact CB-CZ 3.92Å; L129-F436 HydrophobicContact CD1-CB 4.37Å; L129-F436 HydrophobicContact CD1-CD1 4.37Å; L129-F436 HydrophobicContact CD1-CD2 4.48Å; L129-F436 HydrophobicContact CD1-CG 4.17Å; L129-F436 HydrophobicContact CG-CD2 4.47Å; L129-F436 HydrophobicContact CG-CE2 4.47Å; Q132-F436 HydrophobicContact CG-CE2 4.24Å; Q132-F436 HydrophobicContact CG-CZ 4.19Å; V427-F436 HydrophobicContact CG1-CB 3.98Å; V427-F436 HydrophobicContact CG1-CD2 3.71Å; V427-F436 HydrophobicContact CG1-CG 4.17Å; I428-F436 CarbonylContact O-C 3.46Å; I428-F436 VanDerWaalsContact O-CA 3.27Å; I428-F436 WeakPolarHBondContact O-CA 3.37Å; V429-F436 HydrophobicContact CG2-CB 4.24Å; F436-K438 HydrophobicContact CD2-CG 4.31Å; F436-K438 HydrophobicContact CE2-CD 4.29Å; F436-K438 HydrophobicContact CE2-CG 4.02Å
437	Y	98.9	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	121.2	-178.5	-54.1	-65.1	0	0	0	109.2	F34 V40 C41 E42 L379 V427 I428 D430 R433 V435 Q439	F34-Y437 HydrophobicContact CE2-CD1 4.3Å; F34-Y437 HydrophobicContact CE2-CE1 4.11Å; F34-Y437 HydrophobicContact CZ-CD1 4.44Å; F34-Y437 AromaticContact CZ-CE1 3.85Å; F34-Y437 HydrophobicContact CZ-CE1 3.85Å; F34-Y437 HydrophobicContact CZ-CE2 4.16Å; F34-Y437 AromaticContact CZ-CZ 3.7Å; V40-Y437 HydrophobicContact CG2-CD1 3.7Å; V40-Y437 HydrophobicContact CG2-CG 3.98Å; C41-Y437 WeakPolarHBondContact O-CA 3.43Å; E42-Y437 HydrophobicContact CB-CD1 4.1Å; E42-Y437 HydrophobicContact CB-CE1 4.16Å; E42-Y437 HydrophobicContact CG-CD1 4.23Å; E42-Y437 HydrophobicContact CG-CE1 3.89Å; L379-Y437 HydrophobicContact CD1-CD2 4.36Å; L379-Y437 HydrophobicContact CD1-CE2 4.48Å; L379-Y437 HydrophobicContact CD2-CD2 3.86Å; L379-Y437 HydrophobicContact CD2-CG 4.15Å; V427-Y437 WeakPolarHBondContact CA-O 3.27Å; I428-Y437 HydrophobicContact CB-CD2 4.41Å; I428-Y437 HydrophobicContact CG2-CD2 4.4Å; I428-Y437 PolarHBondContact N-O 3.25Å; I428-Y437 PolarHBondContact O-N 2.82Å; D430-Y437 HydrophobicContact CB-CE2 3.93Å; R433-Y437 PolarHBondContact NH1-OH 2.86Å; V435-Y437 HydrophobicContact CG2-CE1 4.16Å; V435-Y437 HydrophobicContact CG2-CE2 4.46Å; Y437-Q439 PolarHBondContact O-N 3.13Å
438	K	98.8	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	113.8	168.4	-65	163.6	67	-171.9	0	108.3	V40 C41 D49 Q132 V427 F436 F442 Y443	V40-K438 WeakPolarHBondContact CA-O 3.3Å; C41-K438 HydrophobicContact CB-CB 4.36Å; C41-K438 PolarHBondContact N-O 3.44Å; C41-K438 PolarHBondContact O-N 2.85Å; D49-K438 PolarHBondContact O-NZ 3.33Å; D49-K438 WeakPolarHBondContact OD1-CD 3.16Å; D49-K438 IonicContact OD1-NZ 2.75Å; D49-K438 PolarHBondContact OD1-NZ 3.06Å; D49-K438 VanDerWaalsContact OD1-NZ 3.11Å; D49-K438 IonicContact OD2-NZ 3.03Å; D49-K438 PolarHBondContact OD2-NZ 2.94Å; Q132-K438 HydrophobicContact CG-CD 4.18Å; V427-K438 HydrophobicContact CG2-CG 4.28Å; F436-K438 HydrophobicContact CD2-CG 4.31Å; F436-K438 HydrophobicContact CE2-CD 4.29Å; F436-K438 HydrophobicContact CE2-CG 4.02Å; K438-F442 HydrophobicContact CB-CB 4.29Å; K438-F442 HydrophobicContact CB-CD1 4.36Å; K438-F442 HydrophobicContact CB-CG 4.21Å; K438-F442 HydrophobicContact CD-CE1 4.41Å; K438-F442 VanDerWaalsContact CE-CZ 3.49Å; K438-F442 HydrophobicContact CG-CD1 4.5Å; K438-F442 HydrophobicContact CG-CD2 4.45Å; K438-F442 HydrophobicContact CG-CG 4.36Å; K438-Y443 HydrophobicContact CB-CE2 3.92Å; K438-Y443 WeakPolarHBondContact CE-OH 3.4Å; K438-Y443 PolarHBondContact NZ-OH 2.82Å
439	Q	98.8	Very high	98.6	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.009	11%	0.107	C	C	.	.			trans	-70.2	160.3	178	-70.2	-83.9	60.9	0	0	111.1	K378 L379 D424 S425 P426 I428 Y437 T441 F442 Y443	K378-Q439 PolarHBondContact O-NE2 3.13Å; L379-Q439 VanDerWaalsContact CA-OE1 3.31Å; D424-Q439 PolarHBondContact OD1-NE2 2.97Å; D424-Q439 PolarHBondContact OD2-NE2 3.04Å; D424-Q439 VanDerWaalsContact OD2-NE2 3.17Å; S425-Q439 VanDerWaalsContact O-CG 3.29Å; S425-Q439 WeakPolarHBondContact O-CG 3.25Å; P426-Q439 WeakPolarHBondContact O-CB 3.41Å; P426-Q439 PolarHBondContact O-N 2.69Å; I428-Q439 HydrophobicContact CG1-CG 4Å; Y437-Q439 PolarHBondContact O-N 3.13Å; Q439-T441 VanDerWaalsContact CB-OG1 3.3Å; Q439-T441 WeakPolarHBondContact CB-OG1 3.31Å; Q439-T441 PolarHBondContact O-N 2.81Å; Q439-F442 VanDerWaalsContact O-CB 3.24Å; Q439-F442 WeakPolarHBondContact O-CB 3.14Å; Q439-F442 PolarHBondContact O-N 3.02Å; Q439-Y443 VanDerWaalsContact O-CD2 3.23Å; Q439-Y443 WeakPolarHBondContact O-CD2 3.11Å
440	P	98.8	Very high	98.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-48.5	-36.7	166.2	-32.4	40.1	0	0	0	114.2	S381 W382 A385 F442 Y443 S444	S381-P440 WeakPolarHBondContact O-CB 3.31Å; S381-P440 WeakPolarHBondContact O-CG 3.23Å; W382-P440 HydrophobicContact CE3-CB 3.96Å; W382-P440 HydrophobicContact CE3-CG 4.5Å; W382-P440 HydrophobicContact CZ3-CB 4.33Å; A385-P440 HydrophobicContact CB-CB 3.5Å; P440-F442 VanDerWaalsContact C-N 3.27Å; P440-F442 PolarHBondContact O-N 2.84Å; P440-Y443 PolarHBondContact O-N 2.77Å; P440-S444 PolarHBondContact O-N 3.1Å
441	T	98.8	Very high	98.4	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-60.3	-30.8	175.6	47.1	0	0	0	0	113.6	H384 Y388 P426 Q439 Y443 S444 M445	H384-T441 HydrophobicContact CB-CG2 3.66Å; H384-T441 WeakPolarHBondContact O-CG2 3.24Å; Y388-T441 HydrophobicContact CD1-CG2 4.32Å; Y388-T441 HydrophobicContact CD2-CG2 3.62Å; Y388-T441 HydrophobicContact CE1-CG2 4.43Å; Y388-T441 HydrophobicContact CE2-CG2 3.74Å; Y388-T441 HydrophobicContact CG-CG2 3.93Å; P426-T441 WeakPolarHBondContact CA-OG1 3.47Å; Q439-T441 VanDerWaalsContact CB-OG1 3.3Å; Q439-T441 WeakPolarHBondContact CB-OG1 3.31Å; Q439-T441 PolarHBondContact O-N 2.81Å; T441-Y443 VanDerWaalsContact C-N 3.28Å; T441-Y443 PolarHBondContact O-N 3.17Å; T441-S444 WeakPolarHBondContact O-CB 3.48Å; T441-S444 PolarHBondContact O-N 2.81Å; T441-M445 WeakPolarHBondContact O-CG 3.44Å; T441-M445 PolarHBondContact O-N 3.08Å
442	F	98.9	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.5	-41.5	171.7	178.2	-81.8	0	0	0	111.1	Q132 Y133 I139 P426 V427 K438 Q439 P440 M445 A446	Q132-F442 HydrophobicContact CB-CE2 4.01Å; Q132-F442 HydrophobicContact CB-CZ 3.84Å; Q132-F442 WeakPolarHBondContact O-CZ 3.41Å; Y133-F442 HydrophobicContact CD1-CD2 4.31Å; Y133-F442 AromaticContact CD1-CE2 3.82Å; Y133-F442 HydrophobicContact CD1-CE2 3.82Å; Y133-F442 AromaticContact CE1-CD2 3.67Å; Y133-F442 HydrophobicContact CE1-CD2 3.67Å; Y133-F442 AromaticContact CE1-CE2 3.65Å; Y133-F442 HydrophobicContact CE1-CE2 3.65Å; Y133-F442 HydrophobicContact CG-CE2 4.44Å; I139-F442 HydrophobicContact CB-CZ 4.34Å; I139-F442 HydrophobicContact CD1-CD2 4.14Å; I139-F442 HydrophobicContact CD1-CE1 4.25Å; I139-F442 HydrophobicContact CD1-CE2 3.73Å; I139-F442 HydrophobicContact CD1-CZ 3.79Å; I139-F442 HydrophobicContact CG1-CE2 4.24Å; I139-F442 HydrophobicContact CG1-CZ 3.97Å; I139-F442 HydrophobicContact CG2-CD1 4.36Å; I139-F442 HydrophobicContact CG2-CE1 3.41Å; I139-F442 VanDerWaalsContact CG2-CE1 3.41Å; I139-F442 HydrophobicContact CG2-CE2 4.47Å; I139-F442 HydrophobicContact CG2-CZ 3.48Å; I139-F442 VanDerWaalsContact CG2-CZ 3.48Å; P426-F442 HydrophobicContact CB-CB 3.98Å; V427-F442 HydrophobicContact CG2-CD2 3.96Å; V427-F442 HydrophobicContact CG2-CE2 4.47Å; K438-F442 HydrophobicContact CB-CB 4.29Å; K438-F442 HydrophobicContact CB-CD1 4.36Å; K438-F442 HydrophobicContact CB-CG 4.21Å; K438-F442 HydrophobicContact CD-CE1 4.41Å; K438-F442 VanDerWaalsContact CE-CZ 3.49Å; K438-F442 HydrophobicContact CG-CD1 4.5Å; K438-F442 HydrophobicContact CG-CD2 4.45Å; K438-F442 HydrophobicContact CG-CG 4.36Å; Q439-F442 VanDerWaalsContact O-CB 3.24Å; Q439-F442 WeakPolarHBondContact O-CB 3.14Å; Q439-F442 PolarHBondContact O-N 3.02Å; P440-F442 VanDerWaalsContact C-N 3.27Å; P440-F442 PolarHBondContact O-N 2.84Å; F442-M445 WeakPolarHBondContact O-CB 3.24Å; F442-M445 PolarHBondContact O-N 3.22Å; F442-A446 PolarHBondContact O-N 3.44Å
443	Y	98.6	Very high	98.1	Very high	1 Å²	1	13.6 Å²	13.6	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-76.1	-33.4	179.6	-57.8	-82	0	0	0	111.6	C41 D49 R73 M74 K438 Q439 P440 T441 M445 A446 H447	C41-Y443 WeakPolarHBondContact CB-OH 3.32Å; C41-Y443 VanDerWaalsContact SG-CZ 3.58Å; C41-Y443 PolarHBondContact SG-OH 3.06Å; D49-Y443 PolarHBondContact OD1-OH 3.39Å; D49-Y443 PolarHBondContact OD2-OH 3.32Å; R73-Y443 HydrophobicContact CB-CD1 4.09Å; R73-Y443 HydrophobicContact CB-CE1 3.94Å; R73-Y443 VanDerWaalsContact CD-CD2 3.42Å; R73-Y443 HydrophobicContact CG-CE1 4.49Å; R73-Y443 HydrophobicContact CG-CE2 4.39Å; M74-Y443 HydrophobicContact CG-CD1 3.9Å; K438-Y443 HydrophobicContact CB-CE2 3.92Å; K438-Y443 WeakPolarHBondContact CE-OH 3.4Å; K438-Y443 PolarHBondContact NZ-OH 2.82Å; Q439-Y443 VanDerWaalsContact O-CD2 3.23Å; Q439-Y443 WeakPolarHBondContact O-CD2 3.11Å; P440-Y443 PolarHBondContact O-N 2.77Å; T441-Y443 VanDerWaalsContact C-N 3.28Å; T441-Y443 PolarHBondContact O-N 3.17Å; Y443-M445 VanDerWaalsContact C-N 3.3Å; Y443-M445 PolarHBondContact O-N 2.94Å; Y443-A446 VanDerWaalsContact O-CB 3.26Å; Y443-A446 WeakPolarHBondContact O-CB 3.49Å; Y443-A446 PolarHBondContact O-N 3.26Å; Y443-A446 VanDerWaalsContact O-N 3.09Å; Y443-H447 PolarHBondContact O-CD2 3.07Å; Y443-H447 PolarHBondContact O-N 2.83Å; Y443-H447 VanDerWaalsContact O-N 3.13Å
444	S	98.7	Very high	98	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.007	5%	0.054	C	C	.	.	H	α-helix	trans	-54.6	-49.2	166.9	-64.4	0	0	0	0	110.9	A385 P440 T441 A446 H447 F448	A385-S444 VanDerWaalsContact C-OG 3.28Å; A385-S444 VanDerWaalsContact CA-OG 3.31Å; A385-S444 WeakPolarHBondContact CA-OG 3.44Å; A385-S444 WeakPolarHBondContact CB-OG 3.29Å; A385-S444 WeakPolarHBondContact O-CB 3.32Å; A385-S444 PolarHBondContact O-OG 3.1Å; P440-S444 PolarHBondContact O-N 3.1Å; T441-S444 WeakPolarHBondContact O-CB 3.48Å; T441-S444 PolarHBondContact O-N 2.81Å; S444-A446 VanDerWaalsContact C-N 3.3Å; S444-A446 PolarHBondContact O-N 3.5Å; S444-H447 PolarHBondContact O-N 2.74Å; S444-F448 WeakPolarHBondContact O-CD2 3.35Å; S444-F448 WeakPolarHBondContact O-CE2 3.48Å
445	M	98.8	Very high	98	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.9	-37.2	174.6	-70.6	-62.1	-72.7	0	0	112.8	F106 I139 Y141 Y388 I392 W403 D405 T441 F442 Y443 H447 F448 S449	F106-M445 HydrophobicContact CB-CE 4.3Å; I139-M445 HydrophobicContact CD1-CB 4.19Å; Y141-M445 HydrophobicContact CE1-CB 4.17Å; Y141-M445 HydrophobicContact CE1-CE 3.86Å; Y141-M445 WeakPolarHBondContact OH-CB 3.23Å; Y141-M445 WeakPolarHBondContact OH-CE 3.28Å; Y141-M445 VanDerWaalsContact OH-CG 3.31Å; Y141-M445 WeakPolarHBondContact OH-CG 3.37Å; Y388-M445 HydrophobicContact CD1-CG 4.08Å; Y388-M445 HydrophobicContact CD1-SD 4.14Å; Y388-M445 HydrophobicContact CE1-CG 4.45Å; I392-M445 HydrophobicContact CD1-SD 3.54Å; I392-M445 VanDerWaalsContact CD1-SD 3.54Å; W403-M445 HydrophobicContact CE3-CE 3.68Å; W403-M445 HydrophobicContact CE3-SD 3.67Å; W403-M445 HydrophobicContact CH2-SD 4.36Å; W403-M445 HydrophobicContact CZ3-CE 3.81Å; W403-M445 HydrophobicContact CZ3-SD 3.45Å; W403-M445 WeakPolarHBondContact CZ3-SD 3.38Å; D405-M445 HydrophobicContact CB-CE 4.5Å; T441-M445 WeakPolarHBondContact O-CG 3.44Å; T441-M445 PolarHBondContact O-N 3.08Å; F442-M445 WeakPolarHBondContact O-CB 3.24Å; F442-M445 PolarHBondContact O-N 3.22Å; Y443-M445 VanDerWaalsContact C-N 3.3Å; Y443-M445 PolarHBondContact O-N 2.94Å; M445-H447 VanDerWaalsContact C-N 3.31Å; M445-H447 PolarHBondContact O-N 3.03Å; M445-F448 PolarHBondContact O-N 3.3Å; M445-S449 WeakPolarHBondContact O-CB 3.47Å; M445-S449 PolarHBondContact O-N 2.93Å; M445-S449 PolarHBondContact O-OG 3.38Å
446	A	98.3	Very high	98	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-59.2	-38.9	178	0	0	0	0	0	113.1	V51 M74 I139 F442 Y443 S444 F448 A450 F451	V51-A446 HydrophobicContact CG2-CB 4.24Å; M74-A446 HydrophobicContact CE-CB 4.47Å; M74-A446 HydrophobicContact CG-CB 4.02Å; M74-A446 HydrophobicContact SD-CB 3.91Å; I139-A446 HydrophobicContact CB-CB 4.21Å; I139-A446 HydrophobicContact CG2-CB 3.42Å; I139-A446 VanDerWaalsContact CG2-CB 3.42Å; F442-A446 PolarHBondContact O-N 3.44Å; Y443-A446 VanDerWaalsContact O-CB 3.26Å; Y443-A446 WeakPolarHBondContact O-CB 3.49Å; Y443-A446 PolarHBondContact O-N 3.26Å; Y443-A446 VanDerWaalsContact O-N 3.09Å; S444-A446 VanDerWaalsContact C-N 3.3Å; S444-A446 PolarHBondContact O-N 3.5Å; A446-F448 PolarHBondContact O-N 2.7Å; A446-F448 VanDerWaalsContact O-N 3.16Å; A446-A450 VanDerWaalsContact O-CB 3.3Å; A446-A450 WeakPolarHBondContact O-CB 3.17Å; A446-A450 PolarHBondContact O-N 3.11Å; A446-F451 WeakPolarHBondContact O-CD2 3.15Å
447	H	98.6	Very high	98	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.2	-24.7	179.4	-82.6	-85.5	0	0	0	113.4	Y65 S67 M74 Y443 S444 M445 F451 I484 L514 T516	Y65-H447 PolarHBondContact O-CE1 2.96Å; Y65-H447 VanDerWaalsContact O-CE1 3.24Å; S67-H447 WeakPolarHBondContact CB-NE2 3.18Å; S67-H447 PolarHBondContact N-NE2 3.01Å; S67-H447 PolarHBondContact OG-NE2 2.91Å; M74-H447 VanDerWaalsContact SD-CD2 3.59Å; M74-H447 PolarHBondContact SD-NE2 3.22Å; Y443-H447 PolarHBondContact O-CD2 3.07Å; Y443-H447 PolarHBondContact O-N 2.83Å; Y443-H447 VanDerWaalsContact O-N 3.13Å; S444-H447 PolarHBondContact O-N 2.74Å; M445-H447 VanDerWaalsContact C-N 3.31Å; M445-H447 PolarHBondContact O-N 3.03Å; H447-F451 VanDerWaalsContact O-CD2 3.25Å; H447-F451 WeakPolarHBondContact O-CD2 3.43Å; H447-I484 WeakPolarHBondContact O-CD1 3.37Å; H447-L514 HydrophobicContact CB-CD2 4.22Å; H447-L514 PolarHBondContact CE1-O 2.84Å; H447-T516 PolarHBondContact ND1-OG1 2.76Å; H447-T516 PolarHBondContact O-OG1 2.78Å
448	F	98.7	Very high	97.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-101.2	-59.9	176.8	-53.9	-88.8	0	0	0	111.4	F106 A389 I392 L393 L396 S444 M445 A446 A450 F451 L452 I484	F106-F448 HydrophobicContact CD1-CB 4.21Å; F106-F448 HydrophobicContact CE1-CB 3.87Å; F106-F448 HydrophobicContact CE2-CB 4.27Å; F106-F448 HydrophobicContact CZ-CB 3.91Å; A389-F448 HydrophobicContact CB-CE2 4.3Å; A389-F448 HydrophobicContact CB-CZ 4.47Å; I392-F448 HydrophobicContact CB-CD1 4.44Å; I392-F448 HydrophobicContact CB-CD2 4.31Å; I392-F448 HydrophobicContact CB-CE1 4.14Å; I392-F448 HydrophobicContact CB-CE2 4.02Å; I392-F448 HydrophobicContact CB-CZ 3.92Å; I392-F448 HydrophobicContact CD1-CD2 3.72Å; I392-F448 HydrophobicContact CD1-CE2 3.81Å; I392-F448 HydrophobicContact CD1-CG 4.45Å; I392-F448 HydrophobicContact CG2-CB 4.4Å; I392-F448 HydrophobicContact CG2-CD1 3.43Å; I392-F448 VanDerWaalsContact CG2-CD1 3.43Å; I392-F448 HydrophobicContact CG2-CD2 3.87Å; I392-F448 HydrophobicContact CG2-CE1 3.51Å; I392-F448 HydrophobicContact CG2-CE2 3.97Å; I392-F448 HydrophobicContact CG2-CG 3.63Å; I392-F448 HydrophobicContact CG2-CZ 3.79Å; L393-F448 HydrophobicContact CD2-CE1 4Å; L393-F448 HydrophobicContact CD2-CZ 4.45Å; L393-F448 HydrophobicContact CG-CE1 3.96Å; L393-F448 HydrophobicContact CG-CZ 3.95Å; L396-F448 HydrophobicContact CD1-CD1 3.93Å; L396-F448 HydrophobicContact CD1-CE1 4.28Å; S444-F448 WeakPolarHBondContact O-CD2 3.35Å; S444-F448 WeakPolarHBondContact O-CE2 3.48Å; M445-F448 PolarHBondContact O-N 3.3Å; A446-F448 PolarHBondContact O-N 2.7Å; A446-F448 VanDerWaalsContact O-N 3.16Å; F448-A450 PolarHBondContact O-N 2.96Å; F448-F451 PolarHBondContact O-N 2.63Å; F448-F451 VanDerWaalsContact O-N 3.12Å; F448-L452 HydrophobicContact CB-CD1 4.39Å; F448-L452 HydrophobicContact CD1-CD1 4.29Å; F448-L452 VanDerWaalsContact O-CB 3.28Å; F448-L452 WeakPolarHBondContact O-CB 3.34Å; F448-L452 WeakPolarHBondContact O-CG 3.34Å; F448-L452 PolarHBondContact O-N 2.88Å; F448-I484 HydrophobicContact CB-CD1 4.46Å; F448-I484 HydrophobicContact CD1-CD1 3.38Å; F448-I484 HydrophobicContact CD1-CG2 4.43Å; F448-I484 HydrophobicContact CE1-CB 4.42Å; F448-I484 HydrophobicContact CE1-CD1 3.79Å; F448-I484 HydrophobicContact CE1-CG2 3.81Å; F448-I484 HydrophobicContact CG-CD1 4.07Å; F448-I484 HydrophobicContact CZ-CG2 3.98Å
449	S	97.7	Very high	97.9	Very high	6 Å²	6	12.7 Å²	12.7	4%	0.042	7%	0.065	C	C	.	.	H	α-helix	trans	-59.4	-40.4	-171.7	54.5	0	0	0	0	114.1	I139 M445 F451	I139-S449 CarbonylContact O-C 3.48Å; I139-S449 VanDerWaalsContact O-CB 3.27Å; I139-S449 WeakPolarHBondContact O-CB 3.43Å; I139-S449 PolarHBondContact O-OG 3.41Å; I139-S449 VanDerWaalsContact O-OG 3.05Å; M445-S449 WeakPolarHBondContact O-CB 3.47Å; M445-S449 PolarHBondContact O-N 2.93Å; M445-S449 PolarHBondContact O-OG 3.38Å; S449-F451 VanDerWaalsContact C-N 3.3Å; S449-F451 PolarHBondContact O-N 3.04Å
450	A	96	Very high	97.9	Very high	12 Å²	12	12.7 Å²	12.7	10%	0.099	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-23.5	-179.1	0	0	0	0	0	113.1	V51 V54 I139 A446 F448 W453	V51-A450 HydrophobicContact CG1-CB 4.47Å; V54-A450 HydrophobicContact CG2-CB 4.36Å; I139-A450 WeakPolarHBondContact O-CA 3.42Å; I139-A450 PolarHBondContact O-N 2.81Å; A446-A450 VanDerWaalsContact O-CB 3.3Å; A446-A450 WeakPolarHBondContact O-CB 3.17Å; A446-A450 PolarHBondContact O-N 3.11Å; F448-A450 PolarHBondContact O-N 2.96Å; A450-W453 PolarHBondContact O-NE1 2.65Å
451	F	96.7	Very high	97.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-24.6	-172.1	-60.3	-90.2	0	0	0	114	V54 Y65 M74 A446 H447 F448 S449 R476 V482 T516	V54-F451 HydrophobicContact CB-CD1 4.47Å; V54-F451 HydrophobicContact CB-CE1 4.22Å; V54-F451 HydrophobicContact CG1-CD1 3.7Å; V54-F451 HydrophobicContact CG1-CE1 3.5Å; V54-F451 VanDerWaalsContact CG1-CE1 3.5Å; V54-F451 HydrophobicContact CG2-CD1 3.97Å; V54-F451 HydrophobicContact CG2-CE1 3.57Å; V54-F451 HydrophobicContact CG2-CE2 4.46Å; V54-F451 HydrophobicContact CG2-CZ 3.84Å; Y65-F451 AromaticContact CD1-CZ 3.94Å; Y65-F451 HydrophobicContact CD1-CZ 3.94Å; Y65-F451 AromaticContact CD2-CE1 3.36Å; Y65-F451 HydrophobicContact CD2-CE1 3.36Å; Y65-F451 AromaticContact CD2-CZ 3.42Å; Y65-F451 HydrophobicContact CD2-CZ 3.42Å; Y65-F451 VanDerWaalsContact CD2-CZ 3.42Å; Y65-F451 HydrophobicContact CE1-CZ 4.24Å; Y65-F451 AromaticContact CE2-CE1 3.42Å; Y65-F451 HydrophobicContact CE2-CE1 3.42Å; Y65-F451 VanDerWaalsContact CE2-CE1 3.42Å; Y65-F451 AromaticContact CE2-CZ 3.82Å; Y65-F451 HydrophobicContact CE2-CZ 3.82Å; Y65-F451 AromaticContact CG-CE1 3.97Å; Y65-F451 HydrophobicContact CG-CE1 3.97Å; Y65-F451 AromaticContact CG-CZ 3.51Å; Y65-F451 HydrophobicContact CG-CZ 3.51Å; M74-F451 HydrophobicContact CE-CE2 3.3Å; M74-F451 HydrophobicContact CE-CZ 3.52Å; A446-F451 WeakPolarHBondContact O-CD2 3.15Å; H447-F451 VanDerWaalsContact O-CD2 3.25Å; H447-F451 WeakPolarHBondContact O-CD2 3.43Å; F448-F451 PolarHBondContact O-N 2.63Å; F448-F451 VanDerWaalsContact O-N 3.12Å; S449-F451 VanDerWaalsContact C-N 3.3Å; S449-F451 PolarHBondContact O-N 3.04Å; F451-R476 VanDerWaalsContact O-CD 3.25Å; F451-R476 WeakPolarHBondContact O-CD 3.48Å; F451-V482 HydrophobicContact CB-CG1 3.9Å; F451-V482 HydrophobicContact CB-CG2 4.42Å; F451-T516 HydrophobicContact CB-CG2 4.23Å; F451-T516 HydrophobicContact CD1-CG2 3.7Å; F451-T516 HydrophobicContact CD2-CG2 3.94Å; F451-T516 HydrophobicContact CE1-CG2 4.03Å; F451-T516 HydrophobicContact CE2-CG2 4.27Å; F451-T516 HydrophobicContact CG-CG2 3.66Å; F451-T516 HydrophobicContact CZ-CG2 4.32Å
452	L	96.7	Very high	97.8	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.016	9%	0.093	C	C	.	.			trans	-108.6	84.9	-175.9	-57.7	-173.2	0	0	0	109.7	I103 F106 L396 F448 F474 V482 I484	I103-L452 HydrophobicContact CG2-CB 4.45Å; F106-L452 HydrophobicContact CE2-CB 3.73Å; F106-L452 HydrophobicContact CE2-CD1 4.15Å; F106-L452 HydrophobicContact CZ-CB 4.42Å; F106-L452 HydrophobicContact CZ-CD1 4Å; L396-L452 HydrophobicContact CD1-CD1 4.08Å; F448-L452 HydrophobicContact CB-CD1 4.39Å; F448-L452 HydrophobicContact CD1-CD1 4.29Å; F448-L452 VanDerWaalsContact O-CB 3.28Å; F448-L452 WeakPolarHBondContact O-CB 3.34Å; F448-L452 WeakPolarHBondContact O-CG 3.34Å; F448-L452 PolarHBondContact O-N 2.88Å; L452-F474 HydrophobicContact CD1-CD1 4.28Å; L452-F474 HydrophobicContact CD1-CD2 3.99Å; L452-F474 HydrophobicContact CD1-CE1 4.12Å; L452-F474 HydrophobicContact CD1-CE2 3.8Å; L452-F474 HydrophobicContact CD1-CG 4.24Å; L452-F474 HydrophobicContact CD1-CZ 3.9Å; L452-F474 HydrophobicContact CD2-CB 3.69Å; L452-F474 HydrophobicContact CD2-CD1 4.16Å; L452-F474 HydrophobicContact CD2-CD2 3.53Å; L452-F474 HydrophobicContact CD2-CE2 4.22Å; L452-F474 HydrophobicContact CD2-CG 3.51Å; L452-F474 HydrophobicContact CG-CD2 4.42Å; L452-V482 HydrophobicContact CD2-CB 4.23Å; L452-V482 HydrophobicContact CD2-CG1 4.07Å; L452-I484 HydrophobicContact CD1-CD1 3.87Å; L452-I484 HydrophobicContact CD2-CD1 4.46Å; L452-I484 HydrophobicContact CG-CD1 4.14Å
453	W	93.6	Very high	97.8	Very high	78 Å²	78	18.6 Å²	18.6	30%	0.295	11%	0.109	S	C	.	.			trans	-69.4	158.9	177.2	-50.1	-25.8	0	0	0	111.4	A450 G455 S456 R476 D478	A450-W453 PolarHBondContact O-NE1 2.65Å; W453-G455 PolarHBondContact O-N 2.8Å; W453-S456 PolarHBondContact N-OG 3.24Å; W453-S456 VanDerWaalsContact N-OG 3.11Å; W453-S456 VanDerWaalsContact O-CB 3.26Å; W453-S456 WeakPolarHBondContact O-CB 3.38Å; W453-S456 PolarHBondContact O-N 2.76Å; W453-S456 PolarHBondContact O-OG 2.97Å; W453-R476 HydrophobicContact CE3-CG 4.43Å; W453-D478 VanDerWaalsContact CH2-OD2 3.27Å; W453-D478 WeakPolarHBondContact CH2-OD2 3.16Å; W453-D478 HydrophobicContact CZ3-CB 4.19Å; W453-D478 VanDerWaalsContact CZ3-OD2 3.26Å; W453-D478 WeakPolarHBondContact CZ3-OD2 3.35Å
454	E	97.1	Very high	97.7	Very high	76 Å²	76	22.2 Å²	22.2	36%	0.355	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	129.7	168.8	-175.4	173.6	-153.7	0	0	110.4	I103 K104	I103-E454 CarbonylContact O-C 3.59Å; I103-E454 WeakPolarHBondContact O-CA 3.36Å; K104-E454 IonicContact NZ-OE1 3.32Å; K104-E454 PolarHBondContact NZ-OE1 2.99Å; K104-E454 WeakPolarHBondContact O-CB 3.14Å; K104-E454 WeakPolarHBondContact O-CG 3.47Å
455	G	97.8	Very high	97.6	Very high	28 Å²	28	24.6 Å²	24.6	29%	0.289	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-7	-175.5	0	0	0	0	0	115.1	I103 W453 Q457	I103-G455 PolarHBondContact O-N 3.05Å; W453-G455 PolarHBondContact O-N 2.8Å; G455-Q457 PolarHBondContact O-N 2.65Å
456	S	98.3	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.198	C	C	.	.			trans	-57.6	135.7	172.5	-56.9	0	0	0	0	109.9	R102 I103 W453 V475	R102-S456 CarbonylContact C-O 3.59Å; R102-S456 VanDerWaalsContact CA-O 3.3Å; R102-S456 WeakPolarHBondContact CA-O 3.45Å; I103-S456 WeakPolarHBondContact CG1-O 3.42Å; I103-S456 PolarHBondContact N-O 3.49Å; W453-S456 PolarHBondContact N-OG 3.24Å; W453-S456 VanDerWaalsContact N-OG 3.11Å; W453-S456 VanDerWaalsContact O-CB 3.26Å; W453-S456 WeakPolarHBondContact O-CB 3.38Å; W453-S456 PolarHBondContact O-N 2.76Å; W453-S456 PolarHBondContact O-OG 2.97Å; S456-V475 CarbonylContact C-O 3.59Å; S456-V475 WeakPolarHBondContact CA-O 3.49Å
457	Q	98.7	Very high	97.4	Very high	28 Å²	28	36.8 Å²	36.8	13%	0.131	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.5	-172.6	180	69.3	75	0	0	108.8	K99 Y100 Q101 G455 V459 F474 V475	K99-Q457 HydrophobicContact CB-CG 4.34Å; K99-Q457 HydrophobicContact CG-CG 4.38Å; Y100-Q457 PolarHBondContact O-NE2 3.31Å; Q101-Q457 VanDerWaalsContact C-NE2 3.27Å; Q101-Q457 PolarHBondContact O-NE2 3.36Å; G455-Q457 PolarHBondContact O-N 2.65Å; Q457-V459 PolarHBondContact O-N 2.82Å; Q457-F474 CarbonylContact O-C 3.58Å; Q457-F474 VanDerWaalsContact O-CA 3.28Å; Q457-F474 WeakPolarHBondContact O-CA 3.25Å; Q457-V475 PolarHBondContact N-O 3.48Å; Q457-V475 PolarHBondContact O-N 3.04Å
458	R	98.8	Very high	97.3	Very high	27 Å²	27	43 Å²	43	10%	0.102	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	135.6	169.8	-179.9	-173.1	167.5	-150.3	4.3	109.4	Y100 Q101 L396 N397 A473 F474	Y100-R458 HydrophobicContact CD2-CG 4.04Å; Y100-R458 HydrophobicContact CG-CG 4.45Å; Y100-R458 PolarHBondContact N-O 3.36Å; Q101-R458 PolarHBondContact O-N 3.29Å; L396-R458 WeakPolarHBondContact O-CD 3.48Å; L396-R458 PolarHBondContact O-NH1 2.82Å; N397-R458 VanDerWaalsContact CA-CZ 3.43Å; N397-R458 PolarHBondContact O-NH1 3.12Å; N397-R458 PolarHBondContact O-NH2 3.17Å; N397-R458 PolarHBondContact OD1-NE 3.4Å; N397-R458 PolarHBondContact OD1-NH2 2.86Å; R458-A473 WeakPolarHBondContact CA-O 3.45Å; R458-F474 HydrophobicContact CB-CD1 3.77Å; R458-F474 HydrophobicContact CB-CE1 3.65Å; R458-F474 HydrophobicContact CG-CD1 4.36Å; R458-F474 HydrophobicContact CG-CE1 4Å
459	V	98.8	Very high	97.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	164.1	176.3	-63.9	0	0	0	0	111.8	I94 Q98 Q457 A473 V475	I94-V459 HydrophobicContact CG2-CG2 4.33Å; Q98-V459 CarbonylContact O-C 3.53Å; Q98-V459 WeakPolarHBondContact O-CA 3.49Å; Q457-V459 PolarHBondContact O-N 2.82Å; V459-A473 HydrophobicContact CG2-CB 4.02Å; V459-A473 PolarHBondContact N-O 3.2Å; V459-V475 HydrophobicContact CG1-CB 4.42Å; V459-V475 HydrophobicContact CG1-CG2 3.74Å; V459-V475 HydrophobicContact CG2-CG2 4.12Å
460	G	98.5	Very high	97.3	Very high	2 Å²	2	45 Å²	45	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	143.7	179.4	0	0	0	0	0	112.2	V95 Q98	V95-G460 WeakPolarHBondContact CA-O 3.46Å; V95-G460 PolarHBondContact N-O 2.89Å; V95-G460 PolarHBondContact O-N 2.68Å; Q98-G460 PolarHBondContact O-N 3.01Å
461	V	98.3	Very high	97.4	Very high	31 Å²	31	46 Å²	46	19%	0.188	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	131.8	170	51.7	0	0	0	0	108.9	L92 T93 I94 F471 A473 L483	L92-V461 HydrophobicContact CB-CG2 4.22Å; T93-V461 CarbonylContact O-C 3.39Å; T93-V461 VanDerWaalsContact O-CA 3.25Å; T93-V461 WeakPolarHBondContact O-CA 3.29Å; I94-V461 HydrophobicContact CD1-CB 4.42Å; I94-V461 HydrophobicContact CD1-CG2 4.13Å; V461-F471 HydrophobicContact CB-CD2 4.3Å; V461-F471 HydrophobicContact CB-CE2 4.31Å; V461-F471 HydrophobicContact CG1-CD2 3.58Å; V461-F471 HydrophobicContact CG1-CE2 3.8Å; V461-F471 HydrophobicContact CG2-CD2 3.75Å; V461-F471 HydrophobicContact CG2-CE2 3.76Å; V461-A473 HydrophobicContact CB-CB 3.89Å; V461-A473 HydrophobicContact CG1-CB 3.93Å; V461-L483 HydrophobicContact CG2-CD1 4.3Å
462	S	97.3	Very high	97.5	Very high	58 Å²	58	46 Å²	46	41%	0.406	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.4	-176.8	64.9	0	0	0	0	112	L92 T93	L92-S462 CarbonylContact C-O 3.58Å; L92-S462 VanDerWaalsContact CA-O 3.31Å; L92-S462 WeakPolarHBondContact CA-O 3.33Å; T93-S462 PolarHBondContact N-O 3.33Å; T93-S462 PolarHBondContact O-N 3.06Å
463	A	97.8	Very high	97.6	Very high	39 Å²	39	45.9 Å²	45.9	32%	0.322	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	139.3	175.5	0	0	0	0	0	111	L90 R91 L92 A465 T467 F471	L90-A463 HydrophobicContact CD1-CB 4.2Å; R91-A463 CarbonylContact O-C 3.6Å; R91-A463 WeakPolarHBondContact O-CA 3.33Å; L92-A463 HydrophobicContact CD2-CB 3.77Å; A463-A465 WeakPolarHBondContact CB-O 3.42Å; A463-A465 PolarHBondContact O-N 2.64Å; A463-T467 HydrophobicContact CB-CG2 4.29Å; A463-F471 HydrophobicContact CB-CE1 4.43Å; A463-F471 HydrophobicContact CB-CZ 3.96Å
464	S	97.4	Very high	97.9	Very high	77 Å²	77	42.2 Å²	42.2	54%	0.538	24%	0.236	S	C	.	.	S	Bend	trans	-69.5	-16.7	176.7	63.2	0	0	0	0	114.1	R91	R91-S464 PolarHBondContact N-OG 3.1Å; R91-S464 PolarHBondContact O-N 3.24Å
465	A	96	Very high	97.9	Very high	51 Å²	51	40.3 Å²	40.3	42%	0.421	23%	0.23	S	C	.	.	S	Bend	trans	-152.2	163.8	179.2	0	0	0	0	0	110.1	A463 T467	A463-A465 WeakPolarHBondContact CB-O 3.42Å; A463-A465 PolarHBondContact O-N 2.64Å; A465-T467 PolarHBondContact O-N 3.18Å
466	K	95.4	Very high	97.8	Very high	215 Å²	215	39.2 Å²	39.2	94%	0.935	22%	0.217	S	C	*	.			trans	-59.4	133.8	172.1	-173.5	177.4	-178.8	179.5	0	109.6
467	T	96.9	Very high	97.7	Very high	41 Å²	41	43 Å²	43	25%	0.252	24%	0.241	S	C	.	.			trans	-138.9	160.7	-177.5	-176	0	0	0	0	111.2	L90 A463 A465 L469 F471	L90-T467 HydrophobicContact CD1-CG2 4.5Å; L90-T467 HydrophobicContact CD2-CG2 4.29Å; L90-T467 WeakPolarHBondContact CD2-OG1 3.4Å; A463-T467 HydrophobicContact CB-CG2 4.29Å; A465-T467 PolarHBondContact O-N 3.18Å; T467-L469 HydrophobicContact CG2-CB 4.11Å; T467-L469 PolarHBondContact OG1-N 2.78Å; T467-L469 VanDerWaalsContact OG1-N 3.15Å; T467-F471 HydrophobicContact CG2-CE1 3.91Å
468	Q	96.4	Very high	97.5	Very high	130 Å²	130	45.6 Å²	45.6	61%	0.607	26%	0.256	S	S	*	.	S	Bend	trans	-90.1	-5.3	170.6	-65.7	179.6	76.7	0	0	112.2	I493	Q468-I493 HydrophobicContact CB-CD1 4.41Å
469	L	98.4	Very high	97.3	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.042	26%	0.264	C	S	.	.			trans	-72	136.1	175.2	-62.6	-179.7	0	0	0	110.3	L90 T467 F471 V485 N487 I493 F495 T509	L90-L469 HydrophobicContact CD2-CD1 3.84Å; T467-L469 HydrophobicContact CG2-CB 4.11Å; T467-L469 PolarHBondContact OG1-N 2.78Å; T467-L469 VanDerWaalsContact OG1-N 3.15Å; L469-F471 HydrophobicContact CB-CD1 4.08Å; L469-F471 WeakPolarHBondContact O-CD1 3.46Å; L469-V485 HydrophobicContact CB-CG1 4.08Å; L469-V485 HydrophobicContact CD1-CG1 4.02Å; L469-V485 HydrophobicContact CD2-CG1 3.97Å; L469-V485 HydrophobicContact CG-CG1 4.25Å; L469-N487 HydrophobicContact CD2-CB 3.65Å; L469-I493 HydrophobicContact CD1-CB 4.47Å; L469-I493 HydrophobicContact CD1-CG2 3.86Å; L469-I493 HydrophobicContact CD2-CB 4.18Å; L469-I493 HydrophobicContact CD2-CD1 3.7Å; L469-I493 HydrophobicContact CD2-CG1 4.46Å; L469-I493 HydrophobicContact CD2-CG2 4.37Å; L469-I493 HydrophobicContact CG-CB 4.48Å; L469-I493 HydrophobicContact CG-CD1 3.97Å; L469-I493 HydrophobicContact CG-CG2 4.13Å; L469-F495 HydrophobicContact CD1-CD1 3.79Å; L469-F495 HydrophobicContact CD1-CE1 3.98Å; L469-F495 HydrophobicContact CD1-CG 4.25Å; L469-T509 WeakPolarHBondContact CD2-OG1 3.34Å
470	E	98.8	Very high	97.1	Very high	40 Å²	40	45.6 Å²	45.6	19%	0.187	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.3	168.3	-66.7	164.6	-127.3	0	0	108.3	H390 L393 V485 L486 R488	H390-E470 IonicContact CE1-OE2 2.64Å; H390-E470 IonicContact CG-OE2 3.04Å; H390-E470 IonicContact ND1-OE1 3.34Å; H390-E470 IonicContact ND1-OE2 3.84Å; H390-E470 PolarHBondContact ND1-OE2 3.36Å; L393-E470 HydrophobicContact CD1-CB 3.94Å; E470-V485 CarbonylContact O-C 3.55Å; E470-V485 WeakPolarHBondContact O-CA 3.34Å; E470-L486 HydrophobicContact CB-CB 4.29Å; E470-L486 PolarHBondContact N-O 2.79Å; E470-L486 PolarHBondContact O-N 3.19Å; E470-R488 IonicContact OE1-CZ 2.71Å; E470-R488 IonicContact OE1-NE 3.94Å; E470-R488 PolarHBondContact OE1-NE 3.43Å; E470-R488 IonicContact OE1-NH2 3.11Å; E470-R488 PolarHBondContact OE1-NH2 3.49Å; E470-R488 IonicContact OE2-NH2 2.76Å
471	F	98.8	Very high	97.1	Very high	34 Å²	34	45.7 Å²	45.7	15%	0.149	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.9	-171.3	52.7	-92.5	0	0	0	112.4	L92 N397 V461 A463 T467 L469 L483 I484 V485	L92-F471 HydrophobicContact CD1-CB 4.46Å; L92-F471 HydrophobicContact CD1-CD1 4.11Å; L92-F471 HydrophobicContact CD1-CD2 4.37Å; L92-F471 HydrophobicContact CD1-CG 4.05Å; L92-F471 HydrophobicContact CD2-CD1 4.2Å; L92-F471 HydrophobicContact CD2-CE1 3.77Å; L92-F471 HydrophobicContact CD2-CE2 4.18Å; L92-F471 HydrophobicContact CD2-CZ 3.77Å; N397-F471 PolarHBondContact ND2-O 3.19Å; V461-F471 HydrophobicContact CB-CD2 4.3Å; V461-F471 HydrophobicContact CB-CE2 4.31Å; V461-F471 HydrophobicContact CG1-CD2 3.58Å; V461-F471 HydrophobicContact CG1-CE2 3.8Å; V461-F471 HydrophobicContact CG2-CD2 3.75Å; V461-F471 HydrophobicContact CG2-CE2 3.76Å; A463-F471 HydrophobicContact CB-CE1 4.43Å; A463-F471 HydrophobicContact CB-CZ 3.96Å; T467-F471 HydrophobicContact CG2-CE1 3.91Å; L469-F471 HydrophobicContact CB-CD1 4.08Å; L469-F471 WeakPolarHBondContact O-CD1 3.46Å; F471-L483 HydrophobicContact CB-CD1 4.36Å; F471-I484 WeakPolarHBondContact CA-O 3.44Å; F471-I484 WeakPolarHBondContact CB-O 3.15Å; F471-V485 HydrophobicContact CB-CG1 4.48Å; F471-V485 HydrophobicContact CB-CG2 4.08Å
472	S	98.8	Very high	97.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	148.1	170.8	-152.6	0	0	0	0	110.1	N397 I484	N397-S472 WeakPolarHBondContact OD1-CB 3.39Å; N397-S472 PolarHBondContact OD1-OG 3.24Å; S472-I484 PolarHBondContact N-O 3.01Å; S472-I484 VanDerWaalsContact N-O 3.1Å; S472-I484 PolarHBondContact O-N 2.83Å
473	A	98.8	Very high	97.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.1	-175.6	0	0	0	0	0	111.2	I94 R458 V459 V461 V482 L483	I94-A473 HydrophobicContact CD1-CB 3.84Å; R458-A473 WeakPolarHBondContact CA-O 3.45Å; V459-A473 HydrophobicContact CG2-CB 4.02Å; V459-A473 PolarHBondContact N-O 3.2Å; V461-A473 HydrophobicContact CB-CB 3.89Å; V461-A473 HydrophobicContact CG1-CB 3.93Å; A473-V482 CarbonylContact C-O 3.52Å; A473-V482 WeakPolarHBondContact CA-O 3.47Å; A473-L483 HydrophobicContact CB-CD1 4.1Å
474	F	98.7	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146.3	-174.4	-54	-94.5	0	0	0	110.8	I103 L396 L452 Q457 R458 V481 V482 I484	I103-F474 HydrophobicContact CD1-CD1 4.38Å; I103-F474 HydrophobicContact CD1-CE1 3.97Å; I103-F474 HydrophobicContact CG1-CD1 4.25Å; I103-F474 HydrophobicContact CG1-CE1 4.32Å; L396-F474 HydrophobicContact CB-CZ 4.17Å; L396-F474 HydrophobicContact CD1-CE1 4.29Å; L396-F474 HydrophobicContact CD1-CZ 3.68Å; L396-F474 HydrophobicContact CG-CZ 4.43Å; L452-F474 HydrophobicContact CD1-CD1 4.28Å; L452-F474 HydrophobicContact CD1-CD2 3.99Å; L452-F474 HydrophobicContact CD1-CE1 4.12Å; L452-F474 HydrophobicContact CD1-CE2 3.8Å; L452-F474 HydrophobicContact CD1-CG 4.24Å; L452-F474 HydrophobicContact CD1-CZ 3.9Å; L452-F474 HydrophobicContact CD2-CB 3.69Å; L452-F474 HydrophobicContact CD2-CD1 4.16Å; L452-F474 HydrophobicContact CD2-CD2 3.53Å; L452-F474 HydrophobicContact CD2-CE2 4.22Å; L452-F474 HydrophobicContact CD2-CG 3.51Å; L452-F474 HydrophobicContact CG-CD2 4.42Å; Q457-F474 CarbonylContact O-C 3.58Å; Q457-F474 VanDerWaalsContact O-CA 3.28Å; Q457-F474 WeakPolarHBondContact O-CA 3.25Å; R458-F474 HydrophobicContact CB-CD1 3.77Å; R458-F474 HydrophobicContact CB-CE1 3.65Å; R458-F474 HydrophobicContact CG-CD1 4.36Å; R458-F474 HydrophobicContact CG-CE1 4Å; F474-V481 CarbonylContact O-C 3.57Å; F474-V481 WeakPolarHBondContact O-CA 3.31Å; F474-V482 PolarHBondContact N-O 2.97Å; F474-V482 PolarHBondContact O-N 3.07Å; F474-I484 HydrophobicContact CE2-CD1 4.46Å
475	V	98.1	Very high	97.3	Very high	37 Å²	37	36.1 Å²	36.1	22%	0.224	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.5	166.3	177.9	0	0	0	0	107.7	S456 Q457 V459 S480 V481	S456-V475 CarbonylContact C-O 3.59Å; S456-V475 WeakPolarHBondContact CA-O 3.49Å; Q457-V475 PolarHBondContact N-O 3.48Å; Q457-V475 PolarHBondContact O-N 3.04Å; V459-V475 HydrophobicContact CG1-CB 4.42Å; V459-V475 HydrophobicContact CG1-CG2 3.74Å; V459-V475 HydrophobicContact CG2-CG2 4.12Å; V475-S480 CarbonylContact C-O 3.49Å; V475-S480 WeakPolarHBondContact CA-O 3.3Å; V475-V481 HydrophobicContact CG2-CG2 4.44Å
476	R	96.1	Very high	97.4	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.019	18%	0.177	C	C	.	.			trans	-73.2	162.5	177	-88.8	-169.2	-74.8	-173.7	-1.3	111.7	L56 F451 W453 D478 G479 S480 V482	L56-R476 VanDerWaalsContact CG-NH2 3.26Å; F451-R476 VanDerWaalsContact O-CD 3.25Å; F451-R476 WeakPolarHBondContact O-CD 3.48Å; W453-R476 HydrophobicContact CE3-CG 4.43Å; R476-D478 WeakPolarHBondContact CB-OD1 3.46Å; R476-D478 IonicContact NE-OD1 3.25Å; R476-D478 PolarHBondContact O-N 2.82Å; R476-D478 VanDerWaalsContact O-N 3.14Å; R476-G479 PolarHBondContact O-N 3.35Å; R476-S480 PolarHBondContact N-O 2.91Å; R476-S480 PolarHBondContact NE-OG 2.88Å; R476-S480 PolarHBondContact NH2-OG 2.99Å; R476-V482 HydrophobicContact CG-CG2 4.23Å
477	P	95	Very high	97.6	Very high	79 Å²	79	23.5 Å²	23.5	51%	0.513	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.4	174.7	-26.1	35.5	0	0	0	114.9	G479	P477-G479 VanDerWaalsContact C-N 3.26Å
478	D	94.1	Very high	97.7	Very high	83 Å²	83	25.8 Å²	25.8	44%	0.444	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	0.8	174.8	65.4	3.3	0	0	0	113.6	W453 R476 S480	W453-D478 VanDerWaalsContact CH2-OD2 3.27Å; W453-D478 WeakPolarHBondContact CH2-OD2 3.16Å; W453-D478 HydrophobicContact CZ3-CB 4.19Å; W453-D478 VanDerWaalsContact CZ3-OD2 3.26Å; W453-D478 WeakPolarHBondContact CZ3-OD2 3.35Å; R476-D478 WeakPolarHBondContact CB-OD1 3.46Å; R476-D478 IonicContact NE-OD1 3.25Å; R476-D478 PolarHBondContact O-N 2.82Å; R476-D478 VanDerWaalsContact O-N 3.14Å; D478-S480 VanDerWaalsContact C-N 3.31Å; D478-S480 WeakPolarHBondContact OD1-CB 3.45Å; D478-S480 PolarHBondContact OD1-N 2.79Å; D478-S480 PolarHBondContact OD1-OG 3.18Å; D478-S480 PolarHBondContact OD2-OG 3.17Å
479	G	94.6	Very high	97.8	Very high	27 Å²	27	20.1 Å²	20.1	28%	0.278	11%	0.11	S	C	.	.	S	Bend	trans	85.5	-4.5	-179.7	0	0	0	0	0	114.6	R476 P477	R476-G479 PolarHBondContact O-N 3.35Å; P477-G479 VanDerWaalsContact C-N 3.26Å
480	S	96.1	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.			trans	-75.1	155.7	176.3	68	0	0	0	0	112.6	L56 V475 R476 D478 W519	L56-S480 WeakPolarHBondContact CD1-OG 3.14Å; V475-S480 CarbonylContact C-O 3.49Å; V475-S480 WeakPolarHBondContact CA-O 3.3Å; R476-S480 PolarHBondContact N-O 2.91Å; R476-S480 PolarHBondContact NE-OG 2.88Å; R476-S480 PolarHBondContact NH2-OG 2.99Å; D478-S480 VanDerWaalsContact C-N 3.31Å; D478-S480 WeakPolarHBondContact OD1-CB 3.45Å; D478-S480 PolarHBondContact OD1-N 2.79Å; D478-S480 PolarHBondContact OD1-OG 3.18Å; D478-S480 PolarHBondContact OD2-OG 3.17Å; S480-W519 WeakPolarHBondContact CA-O 3.4Å; S480-W519 WeakPolarHBondContact CB-O 3.36Å
481	V	97.8	Very high	97.6	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.03	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.5	-179.1	-176.2	0	0	0	0	109.8	I94 F474 V475 A518 W519 A521	I94-V481 HydrophobicContact CG2-CG1 4.49Å; F474-V481 CarbonylContact O-C 3.57Å; F474-V481 WeakPolarHBondContact O-CA 3.31Å; V475-V481 HydrophobicContact CG2-CG2 4.44Å; V481-A518 VanDerWaalsContact O-CA 3.23Å; V481-A518 WeakPolarHBondContact O-CA 3.39Å; V481-W519 HydrophobicContact CB-CD2 4.15Å; V481-W519 HydrophobicContact CB-CH2 4.31Å; V481-W519 HydrophobicContact CB-CZ2 3.71Å; V481-W519 HydrophobicContact CG1-CH2 3.65Å; V481-W519 HydrophobicContact CG1-CZ2 3.3Å; V481-W519 HydrophobicContact CG1-CZ3 4.4Å; V481-W519 HydrophobicContact CG2-CZ2 4.5Å; V481-W519 PolarHBondContact N-O 2.93Å; V481-W519 PolarHBondContact O-N 3.26Å; V481-A521 HydrophobicContact CG2-CB 3.94Å
482	V	98.3	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.6	174.7	-179.6	0	0	0	0	108.5	F451 L452 A473 F474 R476 I484 T516 A517 A518	F451-V482 HydrophobicContact CB-CG1 3.9Å; F451-V482 HydrophobicContact CB-CG2 4.42Å; L452-V482 HydrophobicContact CD2-CB 4.23Å; L452-V482 HydrophobicContact CD2-CG1 4.07Å; A473-V482 CarbonylContact C-O 3.52Å; A473-V482 WeakPolarHBondContact CA-O 3.47Å; F474-V482 PolarHBondContact N-O 2.97Å; F474-V482 PolarHBondContact O-N 3.07Å; R476-V482 HydrophobicContact CG-CG2 4.23Å; V482-I484 HydrophobicContact CG1-CG1 4.12Å; V482-T516 HydrophobicContact CG1-CG2 3.69Å; V482-A517 CarbonylContact C-O 3.54Å; V482-A517 WeakPolarHBondContact CA-O 3.32Å; V482-A518 HydrophobicContact CG2-CB 4.12Å
483	L	98.8	Very high	97.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.6	170.3	176.7	73.5	0	0	0	108.5	L92 I94 V461 F471 A473 V485 F495 V497 T516 A517 W519	L92-L483 HydrophobicContact CD1-CD2 4.22Å; I94-L483 HydrophobicContact CD1-CD1 4.44Å; V461-L483 HydrophobicContact CG2-CD1 4.3Å; F471-L483 HydrophobicContact CB-CD1 4.36Å; A473-L483 HydrophobicContact CB-CD1 4.1Å; L483-V485 HydrophobicContact CD1-CG2 4.38Å; L483-V485 HydrophobicContact CD2-CG2 3.82Å; L483-V485 HydrophobicContact CG-CG2 3.77Å; L483-F495 HydrophobicContact CD2-CE2 4.46Å; L483-V497 HydrophobicContact CD2-CB 4.4Å; L483-V497 HydrophobicContact CD2-CG1 4.11Å; L483-V497 HydrophobicContact CD2-CG2 3.37Å; L483-T516 CarbonylContact O-C 3.54Å; L483-T516 WeakPolarHBondContact O-CA 3.37Å; L483-A517 PolarHBondContact N-O 3.09Å; L483-A517 PolarHBondContact O-N 2.77Å; L483-W519 HydrophobicContact CB-CH2 3.99Å; L483-W519 HydrophobicContact CB-CZ3 4Å
484	I	98.9	Very high	97.4	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.8	173.8	-57.3	171.8	0	0	0	107.7	L393 H447 F448 L452 F471 S472 F474 V482 T516	L393-I484 HydrophobicContact CD2-CG2 4.45Å; H447-I484 WeakPolarHBondContact O-CD1 3.37Å; F448-I484 HydrophobicContact CB-CD1 4.46Å; F448-I484 HydrophobicContact CD1-CD1 3.38Å; F448-I484 HydrophobicContact CD1-CG2 4.43Å; F448-I484 HydrophobicContact CE1-CB 4.42Å; F448-I484 HydrophobicContact CE1-CD1 3.79Å; F448-I484 HydrophobicContact CE1-CG2 3.81Å; F448-I484 HydrophobicContact CG-CD1 4.07Å; F448-I484 HydrophobicContact CZ-CG2 3.98Å; L452-I484 HydrophobicContact CD1-CD1 3.87Å; L452-I484 HydrophobicContact CD2-CD1 4.46Å; L452-I484 HydrophobicContact CG-CD1 4.14Å; F471-I484 WeakPolarHBondContact CA-O 3.44Å; F471-I484 WeakPolarHBondContact CB-O 3.15Å; S472-I484 PolarHBondContact N-O 3.01Å; S472-I484 VanDerWaalsContact N-O 3.1Å; S472-I484 PolarHBondContact O-N 2.83Å; F474-I484 HydrophobicContact CE2-CD1 4.46Å; V482-I484 HydrophobicContact CG1-CG1 4.12Å; I484-T516 HydrophobicContact CG1-CG2 4.04Å
485	V	98.9	Very high	97.3	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.5	-176.8	-172.3	0	0	0	0	109.8	L92 L469 E470 F471 L483 F495 T509 L514 L515	L92-V485 HydrophobicContact CD1-CG2 4.48Å; L469-V485 HydrophobicContact CB-CG1 4.08Å; L469-V485 HydrophobicContact CD1-CG1 4.02Å; L469-V485 HydrophobicContact CD2-CG1 3.97Å; L469-V485 HydrophobicContact CG-CG1 4.25Å; E470-V485 CarbonylContact O-C 3.55Å; E470-V485 WeakPolarHBondContact O-CA 3.34Å; F471-V485 HydrophobicContact CB-CG1 4.48Å; F471-V485 HydrophobicContact CB-CG2 4.08Å; L483-V485 HydrophobicContact CD1-CG2 4.38Å; L483-V485 HydrophobicContact CD2-CG2 3.82Å; L483-V485 HydrophobicContact CG-CG2 3.77Å; V485-F495 HydrophobicContact CG1-CZ 4.31Å; V485-F495 HydrophobicContact CG2-CE2 4.46Å; V485-F495 HydrophobicContact CG2-CZ 4.03Å; V485-T509 HydrophobicContact CB-CG2 4.3Å; V485-T509 HydrophobicContact CG1-CG2 3.96Å; V485-L514 WeakPolarHBondContact O-CA 3.44Å; V485-L515 PolarHBondContact N-O 2.86Å; V485-L515 PolarHBondContact O-N 3.48Å
486	L	98.9	Very high	97.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.7	172.9	172.3	66.1	0	0	0	109.6	E386 A389 H390 L393 E470 R488 L514	E386-L486 HydrophobicContact CG-CD1 4.39Å; A389-L486 HydrophobicContact CB-CD1 4.13Å; A389-L486 HydrophobicContact CB-CD2 4Å; H390-L486 HydrophobicContact CB-CD2 3.99Å; L393-L486 HydrophobicContact CD1-CB 3.6Å; L393-L486 HydrophobicContact CD1-CD2 4.33Å; E470-L486 HydrophobicContact CB-CB 4.29Å; E470-L486 PolarHBondContact N-O 2.79Å; E470-L486 PolarHBondContact O-N 3.19Å; L486-R488 HydrophobicContact CD1-CG 3.96Å; L486-R488 HydrophobicContact CD2-CG 3.79Å; L486-R488 HydrophobicContact CG-CG 3.76Å; L486-L514 HydrophobicContact CD1-CD1 3.42Å; L486-L514 VanDerWaalsContact CD1-CD1 3.42Å; L486-L514 HydrophobicContact CD1-CG 3.79Å
487	N	98.8	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	101.1	170.3	-177.6	12.9	0	0	0	109.7	L469 S489 S491 T509 P510 H512 S513	L469-N487 HydrophobicContact CD2-CB 3.65Å; N487-S489 VanDerWaalsContact C-N 3.31Å; N487-S489 VanDerWaalsContact OD1-CB 3.31Å; N487-S489 WeakPolarHBondContact OD1-CB 3.43Å; N487-S489 PolarHBondContact OD1-N 3.44Å; N487-S489 PolarHBondContact OD1-OG 2.93Å; N487-S491 PolarHBondContact ND2-O 3.39Å; N487-T509 PolarHBondContact ND2-O 3.28Å; N487-P510 PolarHBondContact ND2-O 2.8Å; N487-H512 CarbonylContact O-C 3.24Å; N487-H512 WeakPolarHBondContact O-CA 3.26Å; N487-H512 PolarHBondContact O-N 2.79Å; N487-S513 PolarHBondContact N-O 2.96Å; N487-S513 PolarHBondContact O-N 3.42Å
488	R	98.5	Very high	97.5	Very high	89 Å²	89	33.9 Å²	33.9	34%	0.336	19%	0.192	S	C	.	.			trans	-88.3	3.1	174.1	-58	-170.9	-74.8	175.5	-1.7	113.5	E386 H390 E470 L486 H512	E386-R488 HydrophobicContact CB-CG 4.11Å; E386-R488 HydrophobicContact CG-CG 4.17Å; H390-R488 PolarHBondContact CD2-NH1 2.93Å; H390-R488 PolarHBondContact CE1-NH2 3.23Å; H390-R488 VanDerWaalsContact CG-CZ 3.47Å; H390-R488 PolarHBondContact ND1-NH2 3.13Å; E470-R488 IonicContact OE1-CZ 2.71Å; E470-R488 IonicContact OE1-NE 3.94Å; E470-R488 PolarHBondContact OE1-NE 3.43Å; E470-R488 IonicContact OE1-NH2 3.11Å; E470-R488 PolarHBondContact OE1-NH2 3.49Å; E470-R488 IonicContact OE2-NH2 2.76Å; L486-R488 HydrophobicContact CD1-CG 3.96Å; L486-R488 HydrophobicContact CD2-CG 3.79Å; L486-R488 HydrophobicContact CG-CG 3.76Å; R488-H512 PolarHBondContact O-CE1 3.43Å; R488-H512 PolarHBondContact O-ND1 2.79Å
489	S	98.1	Very high	97.7	Very high	10 Å²	10	30 Å²	30	7%	0.07	17%	0.172	C	C	.	.	S	Bend	trans	-82.3	158.7	180	81.6	0	0	0	0	111.5	N487 S491 A511 H512	N487-S489 VanDerWaalsContact C-N 3.31Å; N487-S489 VanDerWaalsContact OD1-CB 3.31Å; N487-S489 WeakPolarHBondContact OD1-CB 3.43Å; N487-S489 PolarHBondContact OD1-N 3.44Å; N487-S489 PolarHBondContact OD1-OG 2.93Å; S489-S491 PolarHBondContact O-N 3.43Å; S489-S491 PolarHBondContact OG-O 2.93Å; S489-S491 VanDerWaalsContact OG-O 3.08Å; S489-A511 VanDerWaalsContact O-CA 3.3Å; S489-A511 WeakPolarHBondContact O-CA 3.46Å; S489-A511 WeakPolarHBondContact O-CB 3.49Å; S489-H512 PolarHBondContact O-N 2.85Å; S489-H512 VanDerWaalsContact O-N 3.12Å
490	S	96.8	Very high	97.7	Very high	106 Å²	106	32.3 Å²	32.3	74%	0.741	18%	0.182	S	C	*	.	S	Bend	trans	-77.6	7.1	178.1	58.3	0	0	0	0	114.2	A511	S490-A511 WeakPolarHBondContact O-CB 3.47Å
491	S	97.3	Very high	97.6	Very high	59 Å²	59	35.1 Å²	35.1	41%	0.413	21%	0.205	S	C	.	.	S	Bend	trans	-131	148.6	-177.8	64.1	0	0	0	0	111.9	N487 S489	N487-S491 PolarHBondContact ND2-O 3.39Å; S489-S491 PolarHBondContact O-N 3.43Å; S489-S491 PolarHBondContact OG-O 2.93Å; S489-S491 VanDerWaalsContact OG-O 3.08Å
492	A	97.6	Very high	97.5	Very high	65 Å²	65	36.6 Å²	36.6	54%	0.537	21%	0.214	S	C	.	.			trans	-69.4	139	171.9	0	0	0	0	0	110.5	T509	A492-T509 CarbonylContact C-O 3.54Å; A492-T509 VanDerWaalsContact CA-O 3.25Å; A492-T509 WeakPolarHBondContact CA-O 3.49Å
493	I	97.4	Very high	97.4	Very high	25 Å²	25	37.1 Å²	37.1	13%	0.128	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.3	178.2	-60.7	174.5	0	0	0	108.6	L90 Q468 L469 T508 T509	L90-I493 HydrophobicContact CD2-CG2 4.18Å; Q468-I493 HydrophobicContact CB-CD1 4.41Å; L469-I493 HydrophobicContact CD1-CB 4.47Å; L469-I493 HydrophobicContact CD1-CG2 3.86Å; L469-I493 HydrophobicContact CD2-CB 4.18Å; L469-I493 HydrophobicContact CD2-CD1 3.7Å; L469-I493 HydrophobicContact CD2-CG1 4.46Å; L469-I493 HydrophobicContact CD2-CG2 4.37Å; L469-I493 HydrophobicContact CG-CB 4.48Å; L469-I493 HydrophobicContact CG-CD1 3.97Å; L469-I493 HydrophobicContact CG-CG2 4.13Å; I493-T508 WeakPolarHBondContact O-CA 3.38Å; I493-T509 PolarHBondContact N-O 3.27Å; I493-T509 PolarHBondContact O-N 3.07Å; I493-T509 PolarHBondContact O-OG1 3.1Å
494	Q	96.8	Very high	97.3	Very high	149 Å²	149	39 Å²	39	70%	0.696	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.2	172.1	-64.2	-175.4	-13.6	0	0	109.7	T508	Q494-T508 HydrophobicContact CG-CG2 4.08Å
495	F	97.6	Very high	97.2	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.9	178.2	65.5	-80.1	0	0	0	110.5	L90 L92 L469 L483 V485 V497 C507 T509 L515	L90-F495 HydrophobicContact CB-CB 3.96Å; L90-F495 HydrophobicContact CD2-CB 4Å; L90-F495 HydrophobicContact CG-CB 3.95Å; L90-F495 CarbonylContact O-C 3.56Å; L90-F495 VanDerWaalsContact O-CA 3.24Å; L90-F495 WeakPolarHBondContact O-CA 3.44Å; L90-F495 WeakPolarHBondContact O-CB 3.29Å; L92-F495 HydrophobicContact CD1-CD2 3.85Å; L92-F495 HydrophobicContact CD1-CE2 3.72Å; L92-F495 HydrophobicContact CG-CD2 3.96Å; L92-F495 HydrophobicContact CG-CE2 4.31Å; L469-F495 HydrophobicContact CD1-CD1 3.79Å; L469-F495 HydrophobicContact CD1-CE1 3.98Å; L469-F495 HydrophobicContact CD1-CG 4.25Å; L483-F495 HydrophobicContact CD2-CE2 4.46Å; V485-F495 HydrophobicContact CG1-CZ 4.31Å; V485-F495 HydrophobicContact CG2-CE2 4.46Å; V485-F495 HydrophobicContact CG2-CZ 4.03Å; F495-V497 HydrophobicContact CD2-CG2 4.13Å; F495-V497 HydrophobicContact CE2-CG2 3.69Å; F495-C507 HydrophobicContact CD1-CB 3.99Å; F495-C507 HydrophobicContact CD2-CB 3.9Å; F495-C507 HydrophobicContact CE1-CB 3.55Å; F495-C507 HydrophobicContact CE2-CB 3.45Å; F495-C507 VanDerWaalsContact CE2-CB 3.45Å; F495-C507 HydrophobicContact CG-CB 4.16Å; F495-C507 HydrophobicContact CZ-CB 3.26Å; F495-C507 PolarHBondContact N-O 2.78Å; F495-C507 VanDerWaalsContact N-O 3.1Å; F495-C507 CarbonylContact O-C 3.48Å; F495-C507 PolarHBondContact O-N 2.92Å; F495-T509 HydrophobicContact CE1-CG2 3.86Å; F495-T509 HydrophobicContact CZ-CG2 4.39Å; F495-L515 HydrophobicContact CZ-CD2 4.21Å
496	E	97.3	Very high	97.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	143.8	167.7	67.4	-176.8	176.3	0	0	110	S85 T86 A88 L90 R91 L92 I505	S85-E496 WeakPolarHBondContact CA-OE2 3.31Å; S85-E496 VanDerWaalsContact OG-CD 3.22Å; S85-E496 PolarHBondContact OG-OE1 3.34Å; S85-E496 PolarHBondContact OG-OE2 3.15Å; T86-E496 PolarHBondContact N-OE2 3.46Å; T86-E496 PolarHBondContact OG1-OE2 3.18Å; A88-E496 HydrophobicContact CB-CB 4.14Å; A88-E496 HydrophobicContact CB-CG 4.11Å; L90-E496 PolarHBondContact O-N 2.86Å; R91-E496 CarbonylContact C-O 3.12Å; R91-E496 VanDerWaalsContact CA-O 3.26Å; R91-E496 WeakPolarHBondContact CA-O 3.31Å; R91-E496 HydrophobicContact CB-CG 4Å; R91-E496 HydrophobicContact CG-CG 4Å; R91-E496 IonicContact CZ-OE1 3.18Å; R91-E496 IonicContact NE-OE1 2.77Å; R91-E496 PolarHBondContact NE-OE1 2.89Å; R91-E496 IonicContact NH2-OE1 2.76Å; R91-E496 PolarHBondContact NH2-OE1 3.34Å; L92-E496 PolarHBondContact N-O 3.17Å; E496-I505 CarbonylContact C-O 3.35Å; E496-I505 WeakPolarHBondContact CA-O 3.39Å
497	V	98.3	Very high	97	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	133.4	167	-172.5	0	0	0	0	107.5	L92 I94 L483 F495 Y504 I505 W519	L92-V497 CarbonylContact O-C 3.49Å; L92-V497 VanDerWaalsContact O-CA 3.27Å; L92-V497 WeakPolarHBondContact O-CA 3.45Å; I94-V497 HydrophobicContact CD1-CG1 3.95Å; I94-V497 HydrophobicContact CG1-CG1 3.9Å; L483-V497 HydrophobicContact CD2-CB 4.4Å; L483-V497 HydrophobicContact CD2-CG1 4.11Å; L483-V497 HydrophobicContact CD2-CG2 3.37Å; F495-V497 HydrophobicContact CD2-CG2 4.13Å; F495-V497 HydrophobicContact CE2-CG2 3.69Å; V497-Y504 CarbonylContact O-C 3.59Å; V497-Y504 WeakPolarHBondContact O-CA 3.42Å; V497-I505 HydrophobicContact CB-CB 4.15Å; V497-I505 PolarHBondContact N-O 2.98Å; V497-I505 PolarHBondContact O-N 2.82Å; V497-W519 HydrophobicContact CG1-CH2 4.01Å; V497-W519 HydrophobicContact CG1-CZ2 4.41Å
498	W	97.9	Very high	96.9	Very high	84 Å²	84	43.9 Å²	43.9	32%	0.318	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	117.3	170.6	179.7	49.5	0	0	0	109.5	R91 L92 T93 I94 P500 Y504	R91-W498 HydrophobicContact CG-CB 4.15Å; L92-W498 PolarHBondContact O-N 2.97Å; T93-W498 WeakPolarHBondContact CA-O 3.42Å; T93-W498 HydrophobicContact CG2-CD2 4.44Å; T93-W498 HydrophobicContact CG2-CE3 3.4Å; T93-W498 HydrophobicContact CG2-CZ3 3.71Å; I94-W498 PolarHBondContact N-O 3.08Å; W498-P500 HydrophobicContact CH2-CG 4.22Å; W498-P500 HydrophobicContact CZ2-CB 4.32Å; W498-P500 HydrophobicContact CZ2-CG 4.19Å; W498-Y504 HydrophobicContact CB-CD1 4.01Å; W498-Y504 HydrophobicContact CB-CE1 3.92Å; W498-Y504 AromaticContact CD1-CD1 3.86Å; W498-Y504 AromaticContact CD1-CE1 3.54Å; W498-Y504 AromaticContact CD1-CE2 3.97Å; W498-Y504 AromaticContact CD1-CZ 3.6Å; W498-Y504 HydrophobicContact CG-CD1 4.15Å; W498-Y504 AromaticContact CG-CE1 3.74Å; W498-Y504 HydrophobicContact CG-CE1 3.74Å; W498-Y504 AromaticContact NE1-CZ 3.92Å
499	D	97.2	Very high	96.8	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.5	169	-178.6	-17.9	0	0	0	108.1	I94 A501 V502 G503 W519	I94-D499 HydrophobicContact CB-CB 4.48Å; I94-D499 HydrophobicContact CG1-CB 4.28Å; D499-A501 PolarHBondContact O-N 3.1Å; D499-A501 WeakPolarHBondContact OD1-CB 3.43Å; D499-A501 PolarHBondContact OD1-N 3.05Å; D499-V502 HydrophobicContact CB-CG2 3.7Å; D499-V502 PolarHBondContact O-N 2.91Å; D499-V502 VanDerWaalsContact O-N 3.1Å; D499-G503 PolarHBondContact N-O 3.35Å; D499-G503 PolarHBondContact O-N 3.08Å; D499-W519 HydrophobicContact CB-CZ2 4.11Å; D499-W519 PolarHBondContact OD2-NE1 2.87Å
500	P	93.9	Very high	96.8	Very high	74 Å²	74	41.3 Å²	41.3	48%	0.481	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-24.4	179.7	-26.1	34.6	0	0	0	114.7	I94 W498	I94-P500 WeakPolarHBondContact O-CD 3.27Å; W498-P500 HydrophobicContact CH2-CG 4.22Å; W498-P500 HydrophobicContact CZ2-CB 4.32Å; W498-P500 HydrophobicContact CZ2-CG 4.19Å
501	A	94.3	Very high	96.9	Very high	60 Å²	60	37.9 Å²	37.9	50%	0.496	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-29.1	-179.5	0	0	0	0	0	113.3	D499 A521	D499-A501 PolarHBondContact O-N 3.1Å; D499-A501 WeakPolarHBondContact OD1-CB 3.43Å; D499-A501 PolarHBondContact OD1-N 3.05Å; A501-A521 HydrophobicContact CB-CB 4.39Å
502	V	95.4	Very high	96.9	Very high	35 Å²	35	37.2 Å²	37.2	21%	0.212	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-30.2	-170.5	-61.6	0	0	0	0	115.3	L59 V81 D499	L59-V502 HydrophobicContact CD1-CG1 3.94Å; V81-V502 HydrophobicContact CG1-CB 4.28Å; V81-V502 HydrophobicContact CG1-CG2 4.23Å; V81-V502 VanDerWaalsContact CG1-O 3.26Å; V81-V502 WeakPolarHBondContact CG1-O 3.29Å; D499-V502 HydrophobicContact CB-CG2 3.7Å; D499-V502 PolarHBondContact O-N 2.91Å; D499-V502 VanDerWaalsContact O-N 3.1Å
503	G	96.1	Very high	97	Very high	11 Å²	11	34.1 Å²	34.1	11%	0.113	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.1	-144.5	-178.9	0	0	0	0	0	114.1	D499	D499-G503 PolarHBondContact N-O 3.35Å; D499-G503 PolarHBondContact O-N 3.08Å
504	Y	97.4	Very high	97.1	Very high	40 Å²	40	33 Å²	33	16%	0.157	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.5	-170.2	-62	-91.1	0	0	0	112.3	R82 V83 N84 V497 W498	R82-Y504 PolarHBondContact N-O 3.32Å; R82-Y504 PolarHBondContact O-N 2.77Å; V83-Y504 WeakPolarHBondContact O-CD2 3.34Å; V83-Y504 WeakPolarHBondContact O-CE2 3.26Å; N84-Y504 VanDerWaalsContact C-CD2 3.41Å; V497-Y504 CarbonylContact O-C 3.59Å; V497-Y504 WeakPolarHBondContact O-CA 3.42Å; W498-Y504 HydrophobicContact CB-CD1 4.01Å; W498-Y504 HydrophobicContact CB-CE1 3.92Å; W498-Y504 AromaticContact CD1-CD1 3.86Å; W498-Y504 AromaticContact CD1-CE1 3.54Å; W498-Y504 AromaticContact CD1-CE2 3.97Å; W498-Y504 AromaticContact CD1-CZ 3.6Å; W498-Y504 HydrophobicContact CG-CD1 4.15Å; W498-Y504 AromaticContact CG-CE1 3.74Å; W498-Y504 HydrophobicContact CG-CE1 3.74Å; W498-Y504 AromaticContact NE1-CZ 3.92Å
505	I	97.7	Very high	97.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	110.6	179.3	-61.8	173.5	0	0	0	108.2	Y62 V81 E496 V497 W519	Y62-I505 HydrophobicContact CD1-CB 4.44Å; Y62-I505 HydrophobicContact CD1-CG1 4.14Å; Y62-I505 HydrophobicContact CD1-CG2 3.73Å; Y62-I505 HydrophobicContact CD2-CG2 3.62Å; Y62-I505 HydrophobicContact CE1-CB 4.49Å; Y62-I505 HydrophobicContact CE1-CG2 3.7Å; Y62-I505 HydrophobicContact CE2-CG2 3.58Å; Y62-I505 HydrophobicContact CG-CD1 4.38Å; Y62-I505 HydrophobicContact CG-CG1 4.41Å; Y62-I505 HydrophobicContact CG-CG2 3.69Å; V81-I505 HydrophobicContact CG1-CG1 4.4Å; V81-I505 HydrophobicContact CG2-CD1 4.45Å; V81-I505 HydrophobicContact CG2-CG1 4.09Å; E496-I505 CarbonylContact C-O 3.35Å; E496-I505 WeakPolarHBondContact CA-O 3.39Å; V497-I505 HydrophobicContact CB-CB 4.15Å; V497-I505 PolarHBondContact N-O 2.98Å; V497-I505 PolarHBondContact O-N 2.82Å; I505-W519 HydrophobicContact CD1-CD2 3.47Å; I505-W519 VanDerWaalsContact CD1-CD2 3.47Å; I505-W519 HydrophobicContact CD1-CE3 3.59Å; I505-W519 HydrophobicContact CD1-CG 3.93Å; I505-W519 HydrophobicContact CD1-CH2 4.29Å; I505-W519 HydrophobicContact CD1-CZ2 4.16Å; I505-W519 HydrophobicContact CD1-CZ3 4.02Å
506	P	96.6	Very high	97.2	Very high	33 Å²	33	26.1 Å²	26.1	21%	0.214	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.5	174.2	27.6	-30.7	0	0	0	110.7	Y62 T86	Y62-P506 PolarHBondContact OH-O 3.31Å; T86-P506 HydrophobicContact CG2-CB 4.05Å
507	C	96.3	Very high	97.2	Very high	7 Å²	7	26.1 Å²	26.1	5%	0.047	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.2	-179.7	-70.4	0	0	0	0	111.3	F495 L515	F495-C507 HydrophobicContact CD1-CB 3.99Å; F495-C507 HydrophobicContact CD2-CB 3.9Å; F495-C507 HydrophobicContact CE1-CB 3.55Å; F495-C507 HydrophobicContact CE2-CB 3.45Å; F495-C507 VanDerWaalsContact CE2-CB 3.45Å; F495-C507 HydrophobicContact CG-CB 4.16Å; F495-C507 HydrophobicContact CZ-CB 3.26Å; F495-C507 PolarHBondContact N-O 2.78Å; F495-C507 VanDerWaalsContact N-O 3.1Å; F495-C507 CarbonylContact O-C 3.48Å; F495-C507 PolarHBondContact O-N 2.92Å; C507-L515 HydrophobicContact CB-CD2 4.23Å
508	T	95.9	Very high	97.2	Very high	68 Å²	68	26.1 Å²	26.1	42%	0.417	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	127.2	169.2	-61	0	0	0	0	107.7	I493 Q494	I493-T508 WeakPolarHBondContact O-CA 3.38Å; Q494-T508 HydrophobicContact CG-CG2 4.08Å
509	T	97.1	Very high	97.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113	170.9	40.9	0	0	0	0	108.2	L469 V485 N487 A492 I493 F495 L515	L469-T509 WeakPolarHBondContact CD2-OG1 3.34Å; V485-T509 HydrophobicContact CB-CG2 4.3Å; V485-T509 HydrophobicContact CG1-CG2 3.96Å; N487-T509 PolarHBondContact ND2-O 3.28Å; A492-T509 CarbonylContact C-O 3.54Å; A492-T509 VanDerWaalsContact CA-O 3.25Å; A492-T509 WeakPolarHBondContact CA-O 3.49Å; I493-T509 PolarHBondContact N-O 3.27Å; I493-T509 PolarHBondContact O-N 3.07Å; I493-T509 PolarHBondContact O-OG1 3.1Å; F495-T509 HydrophobicContact CE1-CG2 3.86Å; F495-T509 HydrophobicContact CZ-CG2 4.39Å; T509-L515 HydrophobicContact CG2-CB 3.67Å; T509-L515 HydrophobicContact CG2-CD2 3.84Å; T509-L515 HydrophobicContact CG2-CG 4.4Å
510	P	98.2	Very high	97.1	Very high	44 Å²	44	24 Å²	24	29%	0.286	15%	0.152	S	C	.	.			trans	-53.3	164.7	169.8	-26	35.1	0	0	0	112.5	L66 N487 S513	L66-P510 HydrophobicContact CD1-CG 4.23Å; L66-P510 HydrophobicContact CD2-CG 4.14Å; N487-P510 PolarHBondContact ND2-O 2.8Å; P510-S513 WeakPolarHBondContact CD-OG 3.48Å; P510-S513 WeakPolarHBondContact O-CB 3.41Å; P510-S513 PolarHBondContact O-OG 2.87Å
511	A	98.1	Very high	96.9	Very high	34 Å²	34	21 Å²	21	28%	0.281	13%	0.133	S	C	.	.	S	Bend	trans	-55.7	141.1	167.8	0	0	0	0	0	110	S489 S490	S489-A511 VanDerWaalsContact O-CA 3.3Å; S489-A511 WeakPolarHBondContact O-CA 3.46Å; S489-A511 WeakPolarHBondContact O-CB 3.49Å; S490-A511 WeakPolarHBondContact O-CB 3.47Å
512	H	98.6	Very high	96.3	Very high	45 Å²	45	27.7 Å²	27.7	21%	0.208	15%	0.154	C	C	.	.	S	Bend	trans	48.7	64	177.9	-62.9	-70.3	0	0	0	112.7	S68 M69 W382 E386 N487 R488 S489	S68-H512 WeakPolarHBondContact CA-O 3.17Å; M69-H512 HydrophobicContact CB-CB 3.71Å; M69-H512 PolarHBondContact N-O 3.03Å; M69-H512 HydrophobicContact SD-CB 4.17Å; W382-H512 VanDerWaalsContact CE2-O 3.28Å; W382-H512 VanDerWaalsContact CZ2-O 3.24Å; W382-H512 WeakPolarHBondContact CZ2-O 3.31Å; W382-H512 PolarHBondContact NE1-O 2.98Å; E386-H512 VanDerWaalsContact OE1-CA 3.24Å; E386-H512 WeakPolarHBondContact OE1-CA 3.27Å; E386-H512 VanDerWaalsContact OE1-CB 3.31Å; E386-H512 WeakPolarHBondContact OE1-CB 3.25Å; E386-H512 IonicContact OE1-CG 3.22Å; E386-H512 IonicContact OE1-ND1 3.58Å; E386-H512 PolarHBondContact OE1-ND1 3.03Å; E386-H512 IonicContact OE2-ND1 3.62Å; N487-H512 CarbonylContact O-C 3.24Å; N487-H512 WeakPolarHBondContact O-CA 3.26Å; N487-H512 PolarHBondContact O-N 2.79Å; R488-H512 PolarHBondContact O-CE1 3.43Å; R488-H512 PolarHBondContact O-ND1 2.79Å; S489-H512 PolarHBondContact O-N 2.85Å; S489-H512 VanDerWaalsContact O-N 3.12Å
513	S	98.8	Very high	96.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	154.4	-174.6	70.6	0	0	0	0	114.3	S67 N487 P510	S67-S513 CarbonylContact O-C 3.53Å; S67-S513 VanDerWaalsContact O-CA 3.29Å; S67-S513 WeakPolarHBondContact O-CA 3.24Å; S67-S513 WeakPolarHBondContact O-CB 3.37Å; N487-S513 PolarHBondContact N-O 2.96Å; N487-S513 PolarHBondContact O-N 3.42Å; P510-S513 WeakPolarHBondContact CD-OG 3.48Å; P510-S513 WeakPolarHBondContact O-CB 3.41Å; P510-S513 PolarHBondContact O-OG 2.87Å
514	L	98.8	Very high	96.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.8	168.2	-76.1	72.1	0	0	0	108.7	L66 S67 W382 A389 H447 V485 L486	L66-L514 WeakPolarHBondContact CA-O 3.45Å; S67-L514 PolarHBondContact N-O 3.42Å; S67-L514 PolarHBondContact O-N 2.99Å; W382-L514 HydrophobicContact CH2-CD1 4.09Å; W382-L514 HydrophobicContact CZ2-CD1 3.74Å; A389-L514 HydrophobicContact CB-CD1 4.22Å; A389-L514 HydrophobicContact CB-CD2 3.54Å; A389-L514 HydrophobicContact CB-CG 4.03Å; H447-L514 HydrophobicContact CB-CD2 4.22Å; H447-L514 PolarHBondContact CE1-O 2.84Å; V485-L514 WeakPolarHBondContact O-CA 3.44Å; L486-L514 HydrophobicContact CD1-CD1 3.42Å; L486-L514 VanDerWaalsContact CD1-CD1 3.42Å; L486-L514 HydrophobicContact CD1-CG 3.79Å
515	L	98.8	Very high	96.3	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.042	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.9	177.1	-179.3	72.8	0	0	0	109.2	T64 Y65 L66 V485 F495 C507 T509	T64-L515 HydrophobicContact CG2-CD1 4.16Å; Y65-L515 WeakPolarHBondContact O-CA 3.39Å; L66-L515 HydrophobicContact CB-CD1 4.49Å; V485-L515 PolarHBondContact N-O 2.86Å; V485-L515 PolarHBondContact O-N 3.48Å; F495-L515 HydrophobicContact CZ-CD2 4.21Å; C507-L515 HydrophobicContact CB-CD2 4.23Å; T509-L515 HydrophobicContact CG2-CB 3.67Å; T509-L515 HydrophobicContact CG2-CD2 3.84Å; T509-L515 HydrophobicContact CG2-CG 4.4Å
516	T	98.6	Very high	96.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.3	164.8	-58.7	0	0	0	0	108.7	T64 Y65 H447 F451 V482 L483 I484	T64-T516 CarbonylContact C-O 3.5Å; T64-T516 VanDerWaalsContact CA-O 3.24Å; T64-T516 WeakPolarHBondContact CA-O 3.43Å; Y65-T516 PolarHBondContact N-O 2.98Å; Y65-T516 PolarHBondContact O-N 3.33Å; H447-T516 PolarHBondContact ND1-OG1 2.76Å; H447-T516 PolarHBondContact O-OG1 2.78Å; F451-T516 HydrophobicContact CB-CG2 4.23Å; F451-T516 HydrophobicContact CD1-CG2 3.7Å; F451-T516 HydrophobicContact CD2-CG2 3.94Å; F451-T516 HydrophobicContact CE1-CG2 4.03Å; F451-T516 HydrophobicContact CE2-CG2 4.27Å; F451-T516 HydrophobicContact CG-CG2 3.66Å; F451-T516 HydrophobicContact CZ-CG2 4.32Å; V482-T516 HydrophobicContact CG1-CG2 3.69Å; L483-T516 CarbonylContact O-C 3.54Å; L483-T516 WeakPolarHBondContact O-CA 3.37Å; I484-T516 HydrophobicContact CG1-CG2 4.04Å
517	A	98.1	Very high	96.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.4	171.3	0	0	0	0	0	109.5	S63 T64 V482 L483 W519	S63-A517 CarbonylContact O-C 3.21Å; S63-A517 WeakPolarHBondContact O-CA 3.17Å; T64-A517 HydrophobicContact CG2-CB 4.3Å; V482-A517 CarbonylContact C-O 3.54Å; V482-A517 WeakPolarHBondContact CA-O 3.32Å; L483-A517 PolarHBondContact N-O 3.09Å; L483-A517 PolarHBondContact O-N 2.77Å; A517-W519 HydrophobicContact CB-CE3 4.45Å; A517-W519 HydrophobicContact CB-CZ3 4.03Å
518	A	97.4	Very high	96.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	139.8	-180	0	0	0	0	0	112	L56 S63 V481 V482	L56-A518 HydrophobicContact CD2-CB 3.52Å; S63-A518 PolarHBondContact N-O 2.65Å; S63-A518 PolarHBondContact O-N 3.15Å; V481-A518 VanDerWaalsContact O-CA 3.23Å; V481-A518 WeakPolarHBondContact O-CA 3.39Å; V482-A518 HydrophobicContact CG2-CB 4.12Å
519	W	97.2	Very high	96.2	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	157.4	-176.4	61.4	95.6	0	0	0	112	I94 S480 V481 L483 V497 D499 I505 A517	I94-W519 HydrophobicContact CD1-CH2 4.35Å; I94-W519 HydrophobicContact CG1-CH2 4.35Å; I94-W519 HydrophobicContact CG1-CZ2 4.06Å; S480-W519 WeakPolarHBondContact CA-O 3.4Å; S480-W519 WeakPolarHBondContact CB-O 3.36Å; V481-W519 HydrophobicContact CB-CD2 4.15Å; V481-W519 HydrophobicContact CB-CH2 4.31Å; V481-W519 HydrophobicContact CB-CZ2 3.71Å; V481-W519 HydrophobicContact CG1-CH2 3.65Å; V481-W519 HydrophobicContact CG1-CZ2 3.3Å; V481-W519 HydrophobicContact CG1-CZ3 4.4Å; V481-W519 HydrophobicContact CG2-CZ2 4.5Å; V481-W519 PolarHBondContact N-O 2.93Å; V481-W519 PolarHBondContact O-N 3.26Å; L483-W519 HydrophobicContact CB-CH2 3.99Å; L483-W519 HydrophobicContact CB-CZ3 4Å; V497-W519 HydrophobicContact CG1-CH2 4.01Å; V497-W519 HydrophobicContact CG1-CZ2 4.41Å; D499-W519 HydrophobicContact CB-CZ2 4.11Å; D499-W519 PolarHBondContact OD2-NE1 2.87Å; I505-W519 HydrophobicContact CD1-CD2 3.47Å; I505-W519 VanDerWaalsContact CD1-CD2 3.47Å; I505-W519 HydrophobicContact CD1-CE3 3.59Å; I505-W519 HydrophobicContact CD1-CG 3.93Å; I505-W519 HydrophobicContact CD1-CH2 4.29Å; I505-W519 HydrophobicContact CD1-CZ2 4.16Å; I505-W519 HydrophobicContact CD1-CZ3 4.02Å; A517-W519 HydrophobicContact CB-CE3 4.45Å; A517-W519 HydrophobicContact CB-CZ3 4.03Å
520	N	95.9	Very high	96.2	Very high	41 Å²	41	29.8 Å²	29.8	22%	0.219	16%	0.16	C	C	.	.			trans	-78.8	134.5	170.8	-72.2	-43.9	0	0	0	109.7	L56 P57 L59	L56-N520 WeakPolarHBondContact CD1-OD1 3.42Å; P57-N520 PolarHBondContact O-ND2 3.32Å; L59-N520 HydrophobicContact CD1-CB 4.45Å; L59-N520 VanDerWaalsContact CD1-O 3.32Å; L59-N520 WeakPolarHBondContact CD1-O 3.24Å
521	A	89.6	Confident	96	Very high	11 Å²	11	28.6 Å²	28.6	9%	0.091	15%	0.149	C	C	.	.			trans	-101.7	-10.2	176.5	0	0	0	0	0	113.5	V481 A501	V481-A521 HydrophobicContact CG2-CB 3.94Å; A501-A521 HydrophobicContact CB-CB 4.39Å
522	H	82.3	Confident	95.8	Very high	201 Å²	201	28.1 Å²	28.1	93%	0.931	14%	0.137	S	C	*	.			trans	-140.4	0	-177.8	-62.9	-50.5	0	0	0	111.6

Retrieved 522 of 522 residues in 141.9 ms (Link to these results)

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