A0A077Z084_TRITR Loading...

Glucosylceramidase

AlphaFold DB , UniProt , Accession A0A077Z084, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 542 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	35.7	Very low	29.1	Very low	229 Å²	229	152.5 Å²	152.5	100%	1.128	80%	0.803	S	S	*	*				0	123.6	0	-102.5	173.4	155.3	0	0	107.6
2	L	33	Very low	28.5	Very low	140 Å²	140	147.8 Å²	147.8	73%	0.733	79%	0.792	S	S	*	*			trans	53.2	133.6	153.1	-69.4	118	0	0	0	120.2
3	Y	30.2	Very low	28.3	Very low	186 Å²	186	149.8 Å²	149.8	73%	0.729	80%	0.8	S	S	*	*			cis	179.1	145.3	-13	-129.2	-126.7	0	0	0	104.3
4	L	29.3	Very low	28.3	Very low	117 Å²	117	144.4 Å²	144.4	61%	0.613	80%	0.797	S	S	*	*			trans	52.2	119.1	137.4	-89.5	78.9	0	0	0	120.7
5	K	28.4	Very low	28	Very low	194 Å²	194	145.6 Å²	145.6	84%	0.843	80%	0.8	S	S	*	*				93.3	133.6	73.6	-92.3	-169	-174.7	179.8	0	113.5
6	G	28.1	Very low	28.2	Very low	74 Å²	74	146.4 Å²	146.4	76%	0.763	80%	0.801	S	S	*	*			trans	91.6	141.2	156.8	0	0	0	0	0	113.5
7	L	29.5	Very low	28.1	Very low	164 Å²	164	144.3 Å²	144.3	86%	0.859	80%	0.799	S	S	*	*			cis	-164.5	152	12.9	-164.1	77.4	0	0	0	107.5
8	L	24.1	Very low	28.3	Very low	147 Å²	147	141.1 Å²	141.1	77%	0.77	79%	0.794	S	S	*	*			trans	-51.1	147.9	166.7	-80.2	80.4	0	0	0	112.5
9	L	29.7	Very low	28.4	Very low	154 Å²	154	140.7 Å²	140.7	81%	0.806	80%	0.795	S	S	*	*				-159.8	124.4	126.4	-130.4	91.3	0	0	0	111
10	C	21.3	Very low	28.4	Very low	118 Å²	118	138.9 Å²	138.9	80%	0.797	79%	0.792	S	S	*	*			trans	-73.7	128.9	163.6	-64.5	0	0	0	0	109.8
11	I	30.9	Very low	28.6	Very low	154 Å²	154	136.7 Å²	136.7	79%	0.79	79%	0.785	S	S	*	*			trans	-143.6	130.4	144.9	-61.9	-172.9	0	0	0	108.4
12	S	22.5	Very low	28.3	Very low	97 Å²	97	135.8 Å²	135.8	68%	0.678	78%	0.775	S	S	*	*			trans	-90.5	167.4	179.7	35.7	0	0	0	0	112.3
13	I	25.4	Very low	28.2	Very low	173 Å²	173	134.9 Å²	134.9	89%	0.887	78%	0.775	S	S	*	*			trans	89.3	116.4	161.6	-47.8	173.8	0	0	0	116
14	G	27.8	Very low	28.2	Very low	74 Å²	74	132 Å²	132	76%	0.763	78%	0.781	S	S	*	*			trans	167.1	64.3	167.9	0	0	0	0	0	113.6	I16	G14-I16 PolarHBondContact O-N 3.38Å
15	I	24.2	Very low	28.3	Very low	163 Å²	163	135.6 Å²	135.6	84%	0.836	79%	0.792	S	S	*	*			trans	-61.3	121.3	164.5	-65.3	164.4	0	0	0	107.9
16	I	30.9	Very low	28.7	Very low	159 Å²	159	130.3 Å²	130.3	82%	0.815	78%	0.779	S	S	*	*			trans	-154.1	106.8	141.2	-87.5	143.3	0	0	0	106	G14	G14-I16 PolarHBondContact O-N 3.38Å
17	S	27.4	Very low	29.3	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	78%	0.776	S	S	*	*			trans	-76	115.4	168.1	56.1	0	0	0	0	109.2
18	A	30.5	Very low	29.7	Very low	87 Å²	87	129.4 Å²	129.4	72%	0.719	77%	0.771	S	S	*	*			trans	-135.6	64.4	161.3	0	0	0	0	0	108.1	S20	A18-S20 PolarHBondContact O-N 3.35Å
19	V	31.7	Very low	30.8	Very low	133 Å²	133	124.6 Å²	124.6	81%	0.806	75%	0.746	S	S	*	*			trans	-87.5	94	167	-177.3	0	0	0	0	106.5	S21	V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3Å
20	S	28.2	Very low	31.3	Very low	104 Å²	104	124.3 Å²	124.3	73%	0.727	74%	0.744	S	S	*	*			trans	-64.7	90.8	165.1	41.4	0	0	0	0	109	A18 F22	A18-S20 PolarHBondContact O-N 3.35Å; S20-F22 PolarHBondContact O-N 3.5Å
21	S	32.4	Very low	32.3	Very low	94 Å²	94	121.7 Å²	121.7	66%	0.657	73%	0.731	S	S	*	*			trans	-78.3	114.8	166.5	45.1	0	0	0	0	109	V19 V23	V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3Å; S21-V23 VanDerWaalsContact C-N 3.35Å; S21-V23 PolarHBondContact O-N 3.18Å
22	F	29.5	Very low	32.7	Very low	210 Å²	210	117.9 Å²	117.9	92%	0.921	72%	0.723	S	S	*	*			trans	-60.2	95	167.3	-89.9	-100.5	0	0	0	109	S20 C24	S20-F22 PolarHBondContact O-N 3.5Å; F22-C24 PolarHBondContact O-N 2.92Å
23	V	30.7	Very low	33.3	Very low	120 Å²	120	119.1 Å²	119.1	73%	0.727	73%	0.729	S	S	*	*			trans	-73.2	105.8	165.4	178.2	0	0	0	0	106.8	S21 K25	S21-V23 VanDerWaalsContact C-N 3.35Å; S21-V23 PolarHBondContact O-N 3.18Å; V23-K25 PolarHBondContact O-N 3.05Å
24	C	29.9	Very low	34.1	Very low	127 Å²	127	117 Å²	117	86%	0.858	72%	0.719	S	S	*	*			trans	-58.2	102.5	170.7	-139.2	0	0	0	0	108.2	F22 S26	F22-C24 PolarHBondContact O-N 2.92Å; C24-S26 PolarHBondContact O-N 2.96Å
25	K	30.5	Very low	34.7	Very low	192 Å²	192	121.8 Å²	121.8	84%	0.835	72%	0.721	S	S	*	*			trans	-70.9	98.3	170.7	-75.3	-176.6	177.8	-179.8	0	107.3	V23	V23-K25 PolarHBondContact O-N 3.05Å
26	S	37	Very low	35.9	Very low	83 Å²	83	119.8 Å²	119.8	58%	0.58	72%	0.721	S	S	*	*			trans	-57	126.3	166	-161.5	0	0	0	0	108.3	C24 C28	C24-S26 PolarHBondContact O-N 2.96Å; S26-C28 PolarHBondContact O-N 2.73Å; S26-C28 VanDerWaalsContact O-N 3.1Å
27	P	40.4	Very low	37.2	Very low	107 Å²	107	114.1 Å²	114.1	70%	0.695	70%	0.702	S	S	*	*			trans	-67.8	112.3	-178.8	25.3	-30.1	0	0	0	108.9	L29	P27-L29 PolarHBondContact O-N 2.91Å
28	C	39.1	Very low	39.4	Very low	112 Å²	112	117.3 Å²	117.3	76%	0.757	71%	0.705	S	S	*	*			trans	-57.1	107.4	165.9	-80.7	0	0	0	0	108.4	S26 L30	S26-C28 PolarHBondContact O-N 2.73Å; S26-C28 VanDerWaalsContact O-N 3.1Å; C28-L30 PolarHBondContact O-N 2.99Å
29	L	45.7	Very low	42	Very low	46 Å²	46	117.6 Å²	117.6	24%	0.241	69%	0.69	C	S	.	*			trans	-60.8	90.2	162.2	-75.4	152.3	0	0	0	107.3	P27 A31 Q143 Y204	P27-L29 PolarHBondContact O-N 2.91Å; L29-A31 PolarHBondContact O-N 3.26Å; L29-Q143 HydrophobicContact CD2-CG 3.69Å; L29-Y204 HydrophobicContact CB-CD2 3.81Å; L29-Y204 HydrophobicContact CB-CE2 4.27Å; L29-Y204 HydrophobicContact CD1-CD2 4.42Å
30	L	41.5	Very low	45	Very low	147 Å²	147	113.3 Å²	113.3	77%	0.77	66%	0.664	S	S	*	*			trans	-73.5	123.2	174.8	-75	166	0	0	0	108.4	C28 A32	C28-L30 PolarHBondContact O-N 2.99Å; L30-A32 PolarHBondContact O-N 3.24Å
31	A	42.2	Very low	48.1	Very low	63 Å²	63	113.2 Å²	113.2	52%	0.521	65%	0.652	S	S	.	*			trans	-64.3	115.2	176.7	0	0	0	0	0	110.2	L29	L29-A31 PolarHBondContact O-N 3.26Å
32	A	38.6	Very low	51.1	Low	74 Å²	74	109.4 Å²	109.4	61%	0.612	63%	0.626	S	S	*	*			trans	-71.9	148	165.4	0	0	0	0	0	109.7	L30 L34	L30-A32 PolarHBondContact O-N 3.24Å; A32-L34 PolarHBondContact O-N 3.21Å
33	P	34.6	Very low	54.3	Low	124 Å²	124	102.9 Å²	102.9	81%	0.805	60%	0.6	S	S	*	*			trans	-62.3	137	-178.9	12.8	-15.9	0	0	0	112	Q35	P33-Q35 PolarHBondContact O-N 2.87Å
34	L	42.2	Very low	57.4	Low	129 Å²	129	102.7 Å²	102.7	68%	0.675	59%	0.586	S	S	*	*			trans	-56.2	92.5	176.4	-76.7	143.6	0	0	0	110.5	A32 P152	A32-L34 PolarHBondContact O-N 3.21Å; L34-P152 HydrophobicContact CD2-CG 4.33Å
35	Q	41.2	Very low	60.7	Low	174 Å²	174	100.9 Å²	100.9	81%	0.813	56%	0.563	S	S	*	*			trans	-63.1	134.9	158	-85.4	179.3	-23.2	0	0	107.4	P33 G37	P33-Q35 PolarHBondContact O-N 2.87Å; Q35-G37 PolarHBondContact O-N 3.26Å
36	S	49.6	Very low	63.8	Low	121 Å²	121	96.8 Å²	96.8	85%	0.846	55%	0.551	S	S	*	*			trans	-61.1	83.3	161	54.2	0	0	0	0	107.3	E38	S36-E38 PolarHBondContact O-N 3.39Å
37	G	57.2	Low	66.7	Low	40 Å²	40	96.1 Å²	96.1	41%	0.412	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-62.2	127	-178	0	0	0	0	0	108.7	Q35	Q35-G37 PolarHBondContact O-N 3.26Å
38	E	74.2	Confident	69.3	Low	177 Å²	177	94 Å²	94	83%	0.827	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-51.2	149.3	166.2	-72.1	-179.2	161	0	0	109.6	S36 V40	S36-E38 PolarHBondContact O-N 3.39Å; E38-V40 PolarHBondContact O-N 2.88Å
39	F	86	Confident	72	Confident	92 Å²	92	93.2 Å²	93.2	40%	0.404	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-55.8	127.3	173.1	170.6	-115.6	0	0	0	110.6	E41 T63 E65	F39-E41 HydrophobicContact CE1-CB 3.98Å; F39-E41 HydrophobicContact CZ-CB 4.17Å; F39-E41 HydrophobicContact CZ-CG 4.49Å; F39-T63 WeakPolarHBondContact CD2-O 3.32Å; F39-T63 WeakPolarHBondContact CE2-O 3.45Å; F39-E65 HydrophobicContact CB-CG 3.78Å; F39-E65 HydrophobicContact CD1-CG 4.38Å; F39-E65 HydrophobicContact CD2-CB 4.49Å; F39-E65 HydrophobicContact CD2-CG 3.25Å; F39-E65 HydrophobicContact CE2-CG 3.88Å; F39-E65 HydrophobicContact CG-CG 3.53Å
40	V	93.6	Very high	74.1	Confident	44 Å²	44	93 Å²	93	27%	0.267	53%	0.529	S	S	.	.			trans	-110.3	115.9	174.9	-176.6	0	0	0	0	108.5	E38 R60 C61 D62 T63	E38-V40 PolarHBondContact O-N 2.88Å; V40-R60 HydrophobicContact CG1-CG 3.81Å; V40-C61 WeakPolarHBondContact CB-O 3.44Å; V40-C61 WeakPolarHBondContact CG1-O 3.4Å; V40-D62 WeakPolarHBondContact O-CA 3.26Å; V40-D62 WeakPolarHBondContact O-CB 3.26Å; V40-T63 HydrophobicContact CB-CG2 4.44Å; V40-T63 HydrophobicContact CG2-CG2 4.39Å; V40-T63 PolarHBondContact N-OG1 3.35Å; V40-T63 PolarHBondContact O-N 3.23Å; V40-T63 VanDerWaalsContact O-N 3.07Å
41	E	93.2	Very high	76.7	Confident	102 Å²	102	86.3 Å²	86.3	48%	0.477	49%	0.494	S	S	.	.			trans	-69.8	143.8	177.7	-170.9	176.6	-161.7	0	0	111.8	F39 L43 R60	F39-E41 HydrophobicContact CE1-CB 3.98Å; F39-E41 HydrophobicContact CZ-CB 4.17Å; F39-E41 HydrophobicContact CZ-CG 4.49Å; E41-L43 PolarHBondContact O-N 2.91Å; E41-R60 PolarHBondContact O-NE 3.46Å; E41-R60 PolarHBondContact O-NH2 3.44Å
42	C	95.5	Very high	79.4	Confident	14 Å²	14	83.9 Å²	83.9	10%	0.095	47%	0.474	C	S	.	.			trans	-46.9	120.6	172.4	175.2	0	0	0	0	113.9	R44 C54 D62 R86	C42-R44 HydrophobicContact CB-CG 4.33Å; C42-R44 PolarHBondContact O-N 2.77Å; C42-R44 VanDerWaalsContact O-N 3.09Å; C42-R44 WeakPolarHBondContact SG-CG 3.41Å; C42-C54 HydrophobicContact CB-CB 3.95Å; C42-C54 WeakPolarHBondContact CB-SG 3.26Å; C42-C54 WeakPolarHBondContact SG-CA 3.1Å; C42-C54 WeakPolarHBondContact SG-CB 3.46Å; C42-C54 CovalentContact SG-SG 2.01Å; C42-C54 PolarHBondContact SG-SG 3.37Å; C42-D62 HydrophobicContact CB-CB 4.43Å; C42-R86 HydrophobicContact CB-CG 4.43Å
43	L	96.8	Very high	82.2	Confident	72 Å²	72	80.4 Å²	80.4	38%	0.377	45%	0.445	S	S	.	.			trans	-76.7	90.7	163.1	-178.8	60.5	0	0	0	109	E41 V55	E41-L43 PolarHBondContact O-N 2.91Å; L43-V55 HydrophobicContact CB-CB 4.45Å; L43-V55 HydrophobicContact CD2-CB 4.18Å; L43-V55 HydrophobicContact CG-CB 4.31Å; L43-V55 PolarHBondContact O-N 2.74Å
44	R	96.8	Very high	85.3	Confident	117 Å²	117	74.5 Å²	74.5	44%	0.442	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	134.4	-174.2	-67.9	178.3	-177.8	144	5.4	112.1	C42 V53 G84	C42-R44 HydrophobicContact CB-CG 4.33Å; C42-R44 PolarHBondContact O-N 2.77Å; C42-R44 VanDerWaalsContact O-N 3.09Å; C42-R44 WeakPolarHBondContact SG-CG 3.41Å; R44-V53 WeakPolarHBondContact CA-O 3.45Å; R44-G84 PolarHBondContact NE-O 3.14Å; R44-G84 PolarHBondContact NH2-O 3.39Å
45	K	97.8	Very high	88	Confident	88 Å²	88	69.1 Å²	69.1	38%	0.383	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	123.5	167.5	-175.2	174.9	176.2	-176.8	0	109.8	F47 S52 V53 V55 Y450	K45-F47 HydrophobicContact CB-CE2 4.18Å; K45-F47 HydrophobicContact CD-CE1 4.49Å; K45-F47 HydrophobicContact CD-CE2 3.58Å; K45-F47 HydrophobicContact CD-CZ 3.59Å; K45-F47 HydrophobicContact CG-CD2 4.15Å; K45-F47 HydrophobicContact CG-CE2 3.64Å; K45-F47 HydrophobicContact CG-CZ 4.12Å; K45-S52 CarbonylContact O-C 3.44Å; K45-S52 VanDerWaalsContact O-CA 3.29Å; K45-S52 WeakPolarHBondContact O-CA 3.21Å; K45-S52 WeakPolarHBondContact O-CB 3.08Å; K45-V53 HydrophobicContact CB-CG2 4.11Å; K45-V53 PolarHBondContact N-O 3.26Å; K45-V53 PolarHBondContact O-N 2.73Å; K45-V55 HydrophobicContact CB-CG2 3.59Å; K45-V55 HydrophobicContact CD-CG2 4.04Å; K45-V55 HydrophobicContact CG-CG2 4.48Å; K45-Y450 HydrophobicContact CD-CE1 4.28Å
46	D	97.4	Very high	90.7	Very high	107 Å²	107	60.9 Å²	60.9	57%	0.572	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.9	176.9	-167.2	-13.9	0	0	0	109.8	G48	D46-G48 PolarHBondContact OD1-N 3Å
47	F	97.4	Very high	93	Very high	69 Å²	69	56.9 Å²	56.9	30%	0.303	31%	0.31	S	S	.	.			trans	-104	6.8	177.3	-73.9	-96	0	0	0	112.6	K45 V53 L392 Y450	K45-F47 HydrophobicContact CB-CE2 4.18Å; K45-F47 HydrophobicContact CD-CE1 4.49Å; K45-F47 HydrophobicContact CD-CE2 3.58Å; K45-F47 HydrophobicContact CD-CZ 3.59Å; K45-F47 HydrophobicContact CG-CD2 4.15Å; K45-F47 HydrophobicContact CG-CE2 3.64Å; K45-F47 HydrophobicContact CG-CZ 4.12Å; F47-V53 HydrophobicContact CD2-CG2 4.07Å; F47-V53 HydrophobicContact CE2-CG2 3.62Å; F47-L392 HydrophobicContact CB-CB 4.09Å; F47-L392 HydrophobicContact CD1-CB 4.36Å; F47-L392 HydrophobicContact CD1-CD1 3.96Å; F47-L392 HydrophobicContact CD2-CB 3.7Å; F47-L392 HydrophobicContact CD2-CD1 4.12Å; F47-L392 HydrophobicContact CE1-CD1 3.63Å; F47-L392 HydrophobicContact CE2-CB 4.14Å; F47-L392 HydrophobicContact CE2-CD1 3.81Å; F47-L392 HydrophobicContact CG-CB 3.81Å; F47-L392 HydrophobicContact CG-CD1 4.18Å; F47-L392 HydrophobicContact CZ-CD1 3.53Å; F47-Y450 HydrophobicContact CE2-CD1 4.34Å; F47-Y450 HydrophobicContact CE2-CE1 4.18Å; F47-Y450 HydrophobicContact CZ-CD1 4.48Å; F47-Y450 AromaticContact CZ-CE1 3.95Å; F47-Y450 HydrophobicContact CZ-CE1 3.95Å; F47-Y450 HydrophobicContact CZ-CE2 4.37Å; F47-Y450 AromaticContact CZ-CZ 3.89Å
48	G	95.6	Very high	94.8	Very high	62 Å²	62	59.5 Å²	59.5	64%	0.639	31%	0.311	S	S	*	.	S	Bend	trans	87	19.8	177.4	0	0	0	0	0	114.4	D46	D46-G48 PolarHBondContact OD1-N 3Å
49	H	94.3	Very high	95.8	Very high	96 Å²	96	58.6 Å²	58.6	44%	0.444	31%	0.312	S	S	.	.	S	Bend	trans	-112.6	26.5	-174.5	-59.4	-51.8	0	0	0	114	V391 L392 S394	H49-V391 HydrophobicContact CB-CG1 3.68Å; H49-V391 VanDerWaalsContact CG-CG1 3.42Å; H49-L392 PolarHBondContact CD2-O 3.17Å; H49-S394 WeakPolarHBondContact O-CA 3.11Å
50	G	90.6	Very high	96.3	Very high	42 Å²	42	59.1 Å²	59.1	43%	0.433	31%	0.311	S	S	.	.	S	Bend	trans	93.2	-6	171	0	0	0	0	0	115.4	K82	G50-K82 VanDerWaalsContact O-CG 3.25Å; G50-K82 WeakPolarHBondContact O-CG 3.28Å
51	S	96.7	Very high	96.5	Very high	5 Å²	5	57.8 Å²	57.8	4%	0.035	30%	0.304	C	S	.	.	S	Bend	trans	-162.7	-179.2	165.9	-156	0	0	0	0	110.9	K82 R86 G393	S51-K82 PolarHBondContact OG-O 2.91Å; S51-R86 PolarHBondContact OG-NH2 3.47Å; S51-G393 CarbonylContact C-O 3.59Å; S51-G393 WeakPolarHBondContact CA-O 3.28Å; S51-G393 VanDerWaalsContact CB-O 3.28Å; S51-G393 WeakPolarHBondContact CB-O 3.3Å; S51-G393 PolarHBondContact N-O 3.43Å; S51-G393 VanDerWaalsContact N-O 3.13Å; S51-G393 WeakPolarHBondContact O-CA 2.94Å
52	S	97.6	Very high	96.7	Very high	13 Å²	13	53.3 Å²	53.3	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	151.6	-179.9	49.7	0	0	0	0	113.2	K45 R86	K45-S52 CarbonylContact O-C 3.44Å; K45-S52 VanDerWaalsContact O-CA 3.29Å; K45-S52 WeakPolarHBondContact O-CA 3.21Å; K45-S52 WeakPolarHBondContact O-CB 3.08Å; S52-R86 PolarHBondContact O-NH2 3.1Å
53	V	98.5	Very high	96.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	165.8	161.2	-57.5	0	0	0	0	110	R44 K45 F47 V55 L392 Y450 K451 Q452	R44-V53 WeakPolarHBondContact CA-O 3.45Å; K45-V53 HydrophobicContact CB-CG2 4.11Å; K45-V53 PolarHBondContact N-O 3.26Å; K45-V53 PolarHBondContact O-N 2.73Å; F47-V53 HydrophobicContact CD2-CG2 4.07Å; F47-V53 HydrophobicContact CE2-CG2 3.62Å; V53-V55 HydrophobicContact CG2-CG2 4.47Å; V53-L392 HydrophobicContact CG1-CB 4.03Å; V53-L392 HydrophobicContact CG1-CD2 4.44Å; V53-Y450 HydrophobicContact CG2-CD1 3.61Å; V53-Y450 HydrophobicContact CG2-CE1 4.46Å; V53-Y450 HydrophobicContact CG2-CG 4.09Å; V53-K451 WeakPolarHBondContact CA-O 3.47Å; V53-K451 WeakPolarHBondContact CB-O 3.23Å; V53-Q452 HydrophobicContact CG1-CG 4.5Å
54	C	98.6	Very high	96.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.7	162.9	-55.9	0	0	0	0	109.4	C42 Y450 K451 Y456	C42-C54 HydrophobicContact CB-CB 3.95Å; C42-C54 WeakPolarHBondContact CB-SG 3.26Å; C42-C54 WeakPolarHBondContact SG-CA 3.1Å; C42-C54 WeakPolarHBondContact SG-CB 3.46Å; C42-C54 CovalentContact SG-SG 2.01Å; C42-C54 PolarHBondContact SG-SG 3.37Å; C54-Y450 WeakPolarHBondContact O-CA 3.11Å; C54-K451 HydrophobicContact CB-CB 4.37Å; C54-K451 PolarHBondContact N-O 2.95Å; C54-K451 PolarHBondContact O-N 3.18Å; C54-Y456 HydrophobicContact CB-CE2 4.41Å; C54-Y456 WeakPolarHBondContact CB-OH 3.3Å; C54-Y456 VanDerWaalsContact SG-CZ 3.53Å; C54-Y456 PolarHBondContact SG-OH 2.75Å
55	V	98.6	Very high	96.3	Very high	17 Å²	17	47.2 Å²	47.2	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.2	178.9	-171.8	0	0	0	0	109	L43 K45 V53 V448 Y450	L43-V55 HydrophobicContact CB-CB 4.45Å; L43-V55 HydrophobicContact CD2-CB 4.18Å; L43-V55 HydrophobicContact CG-CB 4.31Å; L43-V55 PolarHBondContact O-N 2.74Å; K45-V55 HydrophobicContact CB-CG2 3.59Å; K45-V55 HydrophobicContact CD-CG2 4.04Å; K45-V55 HydrophobicContact CG-CG2 4.48Å; V53-V55 HydrophobicContact CG2-CG2 4.47Å; V55-V448 HydrophobicContact CG1-CB 4.37Å; V55-V448 HydrophobicContact CG1-CG1 4.5Å; V55-Y450 HydrophobicContact CB-CD1 4.44Å; V55-Y450 HydrophobicContact CB-CE1 4.48Å; V55-Y450 HydrophobicContact CG1-CD1 4.39Å; V55-Y450 HydrophobicContact CG1-CE1 4.1Å; V55-Y450 HydrophobicContact CG2-CD1 3.94Å; V55-Y450 HydrophobicContact CG2-CE1 3.87Å
56	C	98.7	Very high	95.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	129.6	169.3	-72.6	0	0	0	0	110.1	R60 C61 D62 M141 V448 F449	C56-R60 WeakPolarHBondContact CA-O 3.48Å; C56-C61 HydrophobicContact CB-CB 3.53Å; C56-C61 WeakPolarHBondContact CB-SG 3.37Å; C56-C61 WeakPolarHBondContact SG-CA 3.23Å; C56-C61 WeakPolarHBondContact SG-CB 3.32Å; C56-C61 CovalentContact SG-SG 2.04Å; C56-C61 PolarHBondContact SG-SG 2.92Å; C56-D62 PolarHBondContact SG-OD1 3.07Å; C56-M141 HydrophobicContact CB-CE 4.33Å; C56-M141 VanDerWaalsContact O-CE 3.28Å; C56-M141 WeakPolarHBondContact O-CE 3.4Å; C56-V448 VanDerWaalsContact O-CA 3.3Å; C56-V448 WeakPolarHBondContact O-CA 3.15Å; C56-V448 VanDerWaalsContact O-CB 3.28Å; C56-V448 WeakPolarHBondContact O-CB 3.29Å; C56-F449 HydrophobicContact CB-CD1 4.03Å; C56-F449 HydrophobicContact CB-CD2 3.86Å; C56-F449 HydrophobicContact CB-CE1 3.6Å; C56-F449 HydrophobicContact CB-CE2 3.44Å; C56-F449 VanDerWaalsContact CB-CE2 3.44Å; C56-F449 HydrophobicContact CB-CG 4.15Å; C56-F449 HydrophobicContact CB-CZ 3.29Å; C56-F449 PolarHBondContact N-O 3.15Å; C56-F449 PolarHBondContact O-N 2.73Å; C56-F449 VanDerWaalsContact O-N 3.1Å; C56-F449 VanDerWaalsContact SG-CE2 3.56Å
57	N	97.9	Very high	95.4	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.203	25%	0.247	C	C	.	.			trans	-138.2	179.4	175.5	65	33.8	0	0	0	110	D59 R60 Q144 V448	N57-D59 PolarHBondContact O-N 3.15Å; N57-D59 PolarHBondContact OD1-N 3.33Å; N57-D59 VanDerWaalsContact OD1-N 3.09Å; N57-R60 PolarHBondContact N-O 3.12Å; N57-R60 CarbonylContact O-C 3.59Å; N57-R60 PolarHBondContact O-N 2.88Å; N57-R60 PolarHBondContact OD1-N 2.65Å; N57-R60 PolarHBondContact OD1-O 2.95Å; N57-Q144 PolarHBondContact O-NE2 3.31Å; N57-Q144 PolarHBondContact O-OE1 2.77Å; N57-Q144 VanDerWaalsContact O-OE1 3.1Å; N57-V448 HydrophobicContact CB-CG1 3.75Å
58	E	96	Very high	94.9	Very high	95 Å²	95	45.9 Å²	45.9	44%	0.444	26%	0.259	S	S	.	.	S	Bend	trans	-60.3	-32.2	-174.3	-66.7	-167.3	151.9	0	0	113.3	S138 L140 M141 N447	E58-S138 WeakPolarHBondContact OE1-CB 3.15Å; E58-S138 PolarHBondContact OE1-OG 3.02Å; E58-L140 HydrophobicContact CB-CD2 4.16Å; E58-L140 HydrophobicContact CG-CD2 4.46Å; E58-M141 HydrophobicContact CB-SD 4.48Å; E58-M141 HydrophobicContact CG-CG 3.81Å; E58-M141 HydrophobicContact CG-SD 3.92Å; E58-M141 PolarHBondContact N-SD 3.22Å; E58-N447 PolarHBondContact OE1-ND2 3.05Å
59	D	94.8	Very high	94.4	Very high	158 Å²	158	49.3 Å²	49.3	85%	0.845	27%	0.27	S	S	*	.	S	Bend	trans	-82.2	-30.4	-179.1	-59.6	-42.2	0	0	0	112.5	N57	N57-D59 PolarHBondContact O-N 3.15Å; N57-D59 PolarHBondContact OD1-N 3.33Å; N57-D59 VanDerWaalsContact OD1-N 3.09Å
60	R	95	Very high	94	Very high	102 Å²	102	45.2 Å²	45.2	39%	0.385	25%	0.251	S	S	.	.			trans	-155.2	126.2	-168.9	-171.7	175	178.5	163.9	0.3	112.3	V40 E41 C56 N57	V40-R60 HydrophobicContact CG1-CG 3.81Å; E41-R60 PolarHBondContact O-NE 3.46Å; E41-R60 PolarHBondContact O-NH2 3.44Å; C56-R60 WeakPolarHBondContact CA-O 3.48Å; N57-R60 PolarHBondContact N-O 3.12Å; N57-R60 CarbonylContact O-C 3.59Å; N57-R60 PolarHBondContact O-N 2.88Å; N57-R60 PolarHBondContact OD1-N 2.65Å; N57-R60 PolarHBondContact OD1-O 2.95Å
61	C	97.8	Very high	93.9	Very high	16 Å²	16	44.8 Å²	44.8	11%	0.108	25%	0.246	C	C	.	.			trans	-137.6	136.1	165	-174.3	0	0	0	0	108.7	V40 C56 K451	V40-C61 WeakPolarHBondContact CB-O 3.44Å; V40-C61 WeakPolarHBondContact CG1-O 3.4Å; C56-C61 HydrophobicContact CB-CB 3.53Å; C56-C61 WeakPolarHBondContact CB-SG 3.37Å; C56-C61 WeakPolarHBondContact SG-CA 3.23Å; C56-C61 WeakPolarHBondContact SG-CB 3.32Å; C56-C61 CovalentContact SG-SG 2.04Å; C56-C61 PolarHBondContact SG-SG 2.92Å; C61-K451 PolarHBondContact SG-NZ 3.26Å; C61-K451 VanDerWaalsContact SG-NZ 3.42Å
62	D	97.5	Very high	93.4	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.043	26%	0.261	C	S	.	.			trans	-67	151.4	-178.5	68.8	-60.9	0	0	0	112.2	V40 C42 C56 K451 Y456	V40-D62 WeakPolarHBondContact O-CA 3.26Å; V40-D62 WeakPolarHBondContact O-CB 3.26Å; C42-D62 HydrophobicContact CB-CB 4.43Å; C56-D62 PolarHBondContact SG-OD1 3.07Å; D62-K451 PolarHBondContact O-NZ 3.25Å; D62-K451 VanDerWaalsContact OD1-CD 3.26Å; D62-K451 WeakPolarHBondContact OD1-CD 3.28Å; D62-K451 WeakPolarHBondContact OD1-CE 3.39Å; D62-K451 IonicContact OD1-NZ 3.82Å; D62-K451 PolarHBondContact OD1-NZ 3.5Å; D62-K451 IonicContact OD2-NZ 2.66Å; D62-Y456 PolarHBondContact OD1-OH 3.01Å; D62-Y456 WeakPolarHBondContact OD2-CE1 3.45Å; D62-Y456 PolarHBondContact OD2-OH 2.91Å
63	T	97	Very high	93	Very high	27 Å²	27	50.3 Å²	50.3	17%	0.166	28%	0.275	C	S	.	.			trans	-122	156.4	177.6	58.6	0	0	0	0	110.3	F39 V40 T153	F39-T63 WeakPolarHBondContact CD2-O 3.32Å; F39-T63 WeakPolarHBondContact CE2-O 3.45Å; V40-T63 HydrophobicContact CB-CG2 4.44Å; V40-T63 HydrophobicContact CG2-CG2 4.39Å; V40-T63 PolarHBondContact N-OG1 3.35Å; V40-T63 PolarHBondContact O-N 3.23Å; V40-T63 VanDerWaalsContact O-N 3.07Å; T63-T153 WeakPolarHBondContact CA-O 3.42Å
64	V	95	Very high	92.7	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.018	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-91.4	126.2	170.3	-171.8	0	0	0	0	107.9	L87 T153 I155 K463	V64-L87 HydrophobicContact CB-CD1 4.47Å; V64-L87 HydrophobicContact CG1-CB 4.05Å; V64-L87 HydrophobicContact CG1-CD1 3.89Å; V64-L87 HydrophobicContact CG2-CD1 3.65Å; V64-T153 PolarHBondContact N-O 3.22Å; V64-I155 HydrophobicContact CG2-CG2 4.17Å; V64-K463 HydrophobicContact CB-CD 4.27Å; V64-K463 HydrophobicContact CG1-CD 3.6Å
65	E	90.3	Very high	92.6	Very high	45 Å²	45	52.5 Å²	52.5	21%	0.21	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-54.8	131.9	175	-66.5	-177.3	-113.7	0	0	110.3	F39 Y78 R89	F39-E65 HydrophobicContact CB-CG 3.78Å; F39-E65 HydrophobicContact CD1-CG 4.38Å; F39-E65 HydrophobicContact CD2-CB 4.49Å; F39-E65 HydrophobicContact CD2-CG 3.25Å; F39-E65 HydrophobicContact CE2-CG 3.88Å; F39-E65 HydrophobicContact CG-CG 3.53Å; E65-Y78 HydrophobicContact CB-CE1 4.33Å; E65-Y78 PolarHBondContact O-OH 3.1Å; E65-R89 HydrophobicContact CB-CB 4.26Å; E65-R89 VanDerWaalsContact CD-CB 3.49Å; E65-R89 HydrophobicContact CG-CB 4.37Å; E65-R89 WeakPolarHBondContact OE1-CB 3.24Å; E65-R89 VanDerWaalsContact OE2-CD 3.31Å; E65-R89 WeakPolarHBondContact OE2-CD 3.36Å
66	P	86.5	Confident	92.5	Very high	73 Å²	73	51.7 Å²	51.7	47%	0.474	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-66.4	151.3	177.7	28	-33.8	0	0	0	110.7	E68 Y78	P66-E68 PolarHBondContact O-N 2.83Å; P66-Y78 PolarHBondContact O-OH 3.31Å
67	L	89.1	Confident	92.5	Very high	46 Å²	46	51.8 Å²	51.8	24%	0.241	28%	0.28	C	S	.	.			trans	-74.7	91.4	170.8	-175.9	66.1	0	0	0	109.4	M70 Y78 L496 L534	L67-M70 HydrophobicContact CD1-CE 4.4Å; L67-M70 HydrophobicContact CD1-SD 4.31Å; L67-Y78 HydrophobicContact CD1-CE2 4.28Å; L67-L496 HydrophobicContact CD2-CD1 3.61Å; L67-L534 HydrophobicContact CD1-CD2 4.19Å; L67-L534 HydrophobicContact CD2-CD2 3.73Å
68	E	86.3	Confident	92.5	Very high	117 Å²	117	50 Å²	50	55%	0.547	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-66.4	156.7	173	-64.9	-172.7	157.3	0	0	112.1	P66 M70	P66-E68 PolarHBondContact O-N 2.83Å; E68-M70 PolarHBondContact O-N 2.57Å
69	P	85.3	Confident	92.6	Very high	134 Å²	134	45.9 Å²	45.9	87%	0.87	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-53.5	125.9	172.3	-24.9	34.4	0	0	0	111.6
70	M	86.5	Confident	92.8	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.049	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-90.3	147.1	-179.1	-64.5	179.2	-71.2	0	0	111.8	L67 E68 E74 V76 L496 L534 K536	L67-M70 HydrophobicContact CD1-CE 4.4Å; L67-M70 HydrophobicContact CD1-SD 4.31Å; E68-M70 PolarHBondContact O-N 2.57Å; M70-E74 VanDerWaalsContact CA-OE1 3.29Å; M70-E74 WeakPolarHBondContact CA-OE1 3.27Å; M70-E74 HydrophobicContact CB-CG 4.27Å; M70-V76 HydrophobicContact CG-CB 4.48Å; M70-V76 HydrophobicContact CG-CG2 3.61Å; M70-V76 HydrophobicContact SD-CB 3.72Å; M70-V76 HydrophobicContact SD-CG2 3.47Å; M70-V76 WeakPolarHBondContact SD-CG2 3.5Å; M70-L496 HydrophobicContact CE-CD1 3.54Å; M70-L496 HydrophobicContact CE-CD2 3.26Å; M70-L496 HydrophobicContact CE-CG 3.97Å; M70-L534 HydrophobicContact CE-CB 4.03Å; M70-L534 HydrophobicContact SD-CB 4.24Å; M70-L534 VanDerWaalsContact SD-O 3.4Å; M70-K536 WeakPolarHBondContact O-CE 3.43Å; M70-K536 PolarHBondContact O-NZ 2.75Å
71	G	87.3	Confident	92.9	Very high	33 Å²	33	33.5 Å²	33.5	34%	0.34	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-64.9	163.4	166	0	0	0	0	0	112.6	N73 E74	G71-N73 VanDerWaalsContact C-N 3.28Å; G71-N73 PolarHBondContact O-N 3.03Å; G71-E74 PolarHBondContact N-OE1 3.26Å
72	D	86.3	Confident	92.9	Very high	65 Å²	65	36.5 Å²	36.5	35%	0.348	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-16	-176.5	-59.8	-31.9	0	0	0	113.7	F94 K536 K540	D72-F94 VanDerWaalsContact O-CE2 3.28Å; D72-F94 WeakPolarHBondContact O-CE2 3.21Å; D72-K536 VanDerWaalsContact OD1-CD 3.23Å; D72-K536 WeakPolarHBondContact OD1-CD 3.48Å; D72-K536 IonicContact OD1-NZ 3.63Å; D72-K536 PolarHBondContact OD1-NZ 2.92Å; D72-K540 WeakPolarHBondContact CB-O 3.39Å
73	N	89.4	Confident	92.7	Very high	70 Å²	70	40.3 Å²	40.3	37%	0.374	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	18.7	-177.1	-71.9	-37.3	0	0	0	113.7	G71 F94	G71-N73 VanDerWaalsContact C-N 3.28Å; G71-N73 PolarHBondContact O-N 3.03Å; N73-F94 HydrophobicContact CB-CD2 4.48Å; N73-F94 PolarHBondContact O-N 2.89Å
74	E	93	Very high	92.6	Very high	45 Å²	45	39 Å²	39	21%	0.21	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	159	-179.5	67	177.3	-162.8	0	0	112.8	M70 G71 T91 L92 F94	M70-E74 VanDerWaalsContact CA-OE1 3.29Å; M70-E74 WeakPolarHBondContact CA-OE1 3.27Å; M70-E74 HydrophobicContact CB-CG 4.27Å; G71-E74 PolarHBondContact N-OE1 3.26Å; E74-T91 HydrophobicContact CB-CG2 3.92Å; E74-T91 HydrophobicContact CG-CG2 4.39Å; E74-T91 WeakPolarHBondContact OE2-CG2 3.23Å; E74-L92 CarbonylContact C-O 3.59Å; E74-L92 WeakPolarHBondContact CA-O 3.42Å; E74-L92 WeakPolarHBondContact CB-O 3.5Å; E74-F94 WeakPolarHBondContact O-CZ 3.47Å
75	A	95.7	Very high	92.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.8	165.1	0	0	0	0	0	109.5	T91 L92 F94 L521 V533 L534 W535	A75-T91 CarbonylContact O-C 3.49Å; A75-T91 WeakPolarHBondContact O-CA 3.45Å; A75-L92 PolarHBondContact N-O 3Å; A75-L92 PolarHBondContact O-N 3.48Å; A75-F94 HydrophobicContact CB-CE1 4.09Å; A75-L521 HydrophobicContact CB-CD1 3.91Å; A75-L521 HydrophobicContact CB-CD2 4.04Å; A75-V533 HydrophobicContact CB-CG1 3.9Å; A75-L534 CarbonylContact C-O 3.45Å; A75-L534 WeakPolarHBondContact CA-O 3.35Å; A75-L534 WeakPolarHBondContact CB-O 3.44Å; A75-W535 HydrophobicContact CB-CB 4.06Å
76	V	97	Very high	93	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.6	170.9	175.3	0	0	0	0	108.9	M70 Y78 R89 S90 V533 L534	M70-V76 HydrophobicContact CG-CB 4.48Å; M70-V76 HydrophobicContact CG-CG2 3.61Å; M70-V76 HydrophobicContact SD-CB 3.72Å; M70-V76 HydrophobicContact SD-CG2 3.47Å; M70-V76 WeakPolarHBondContact SD-CG2 3.5Å; V76-Y78 HydrophobicContact CG1-CD2 4.02Å; V76-Y78 HydrophobicContact CG1-CE2 3.4Å; V76-Y78 VanDerWaalsContact CG1-CE2 3.4Å; V76-R89 HydrophobicContact CG1-CG 3.79Å; V76-S90 WeakPolarHBondContact CA-O 3.1Å; V76-V533 CarbonylContact O-C 3.58Å; V76-V533 WeakPolarHBondContact O-CA 3.35Å; V76-L534 PolarHBondContact N-O 3.2Å; V76-L534 PolarHBondContact O-N 3.44Å
77	V	98	Very high	93.5	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.1	179.9	-175.7	0	0	0	0	109.6	R89 S90 L92 Q531 T532 V533	V77-R89 CarbonylContact O-C 3.49Å; V77-R89 VanDerWaalsContact O-CA 3.32Å; V77-R89 WeakPolarHBondContact O-CA 3.26Å; V77-S90 PolarHBondContact N-O 2.97Å; V77-S90 PolarHBondContact O-N 3.22Å; V77-L92 HydrophobicContact CG2-CD1 3.46Å; V77-L92 VanDerWaalsContact CG2-CD1 3.46Å; V77-L92 HydrophobicContact CG2-CG 3.83Å; V77-Q531 HydrophobicContact CG1-CB 4.19Å; V77-Q531 HydrophobicContact CG1-CG 4.01Å; V77-T532 CarbonylContact C-O 3.52Å; V77-T532 WeakPolarHBondContact CA-O 3.5Å; V77-V533 HydrophobicContact CG1-CG2 4.2Å; V77-V533 HydrophobicContact CG2-CB 4.45Å; V77-V533 HydrophobicContact CG2-CG1 3.99Å; V77-V533 HydrophobicContact CG2-CG2 4.04Å
78	Y	98.2	Very high	93.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.9	167.9	-67.8	-94	0	0	0	108.9	E65 P66 L67 V76 L87 R88 R89 H460 F464 Q531 T532 L534	E65-Y78 HydrophobicContact CB-CE1 4.33Å; E65-Y78 PolarHBondContact O-OH 3.1Å; P66-Y78 PolarHBondContact O-OH 3.31Å; L67-Y78 HydrophobicContact CD1-CE2 4.28Å; V76-Y78 HydrophobicContact CG1-CD2 4.02Å; V76-Y78 HydrophobicContact CG1-CE2 3.4Å; V76-Y78 VanDerWaalsContact CG1-CE2 3.4Å; Y78-L87 HydrophobicContact CD1-CB 4.47Å; Y78-L87 WeakPolarHBondContact CD1-O 3.48Å; Y78-R88 WeakPolarHBondContact CA-O 3.28Å; Y78-R89 HydrophobicContact CD1-CB 4.31Å; Y78-R89 HydrophobicContact CE1-CB 3.96Å; Y78-R89 HydrophobicContact CE1-CG 4.06Å; Y78-H460 PolarHBondContact O-CE1 2.9Å; Y78-H460 VanDerWaalsContact O-CE1 3.25Å; Y78-F464 HydrophobicContact CD1-CE1 4.37Å; Y78-F464 HydrophobicContact CD1-CE2 4.32Å; Y78-F464 AromaticContact CD1-CZ 3.55Å; Y78-F464 HydrophobicContact CD1-CZ 3.55Å; Y78-F464 HydrophobicContact CD2-CD1 4.4Å; Y78-F464 AromaticContact CD2-CE1 3.52Å; Y78-F464 HydrophobicContact CD2-CE1 3.52Å; Y78-F464 AromaticContact CD2-CE2 3.95Å; Y78-F464 HydrophobicContact CD2-CE2 3.95Å; Y78-F464 AromaticContact CD2-CZ 3.26Å; Y78-F464 HydrophobicContact CD2-CZ 3.26Å; Y78-F464 HydrophobicContact CE1-CE1 4.27Å; Y78-F464 AromaticContact CE1-CZ 3.82Å; Y78-F464 HydrophobicContact CE1-CZ 3.82Å; Y78-F464 HydrophobicContact CE2-CD1 4.38Å; Y78-F464 AromaticContact CE2-CE1 3.39Å; Y78-F464 HydrophobicContact CE2-CE1 3.39Å; Y78-F464 AromaticContact CE2-CZ 3.54Å; Y78-F464 HydrophobicContact CE2-CZ 3.54Å; Y78-F464 HydrophobicContact CG-CE1 4.02Å; Y78-F464 AromaticContact CG-CE2 3.78Å; Y78-F464 HydrophobicContact CG-CE2 3.78Å; Y78-F464 AromaticContact CG-CZ 3.26Å; Y78-F464 HydrophobicContact CG-CZ 3.26Å; Y78-F464 AromaticContact CZ-CE1 3.8Å; Y78-F464 AromaticContact CZ-CZ 3.82Å; Y78-Q531 VanDerWaalsContact O-CA 3.31Å; Y78-Q531 WeakPolarHBondContact O-CA 3.12Å; Y78-T532 PolarHBondContact N-O 3.35Å; Y78-T532 PolarHBondContact O-N 3.11Å; Y78-L534 HydrophobicContact CD2-CD1 3.85Å; Y78-L534 HydrophobicContact CE2-CD1 4.08Å
79	T	98.3	Very high	94.3	Very high	10 Å²	10	37.4 Å²	37.4	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.7	-177.3	-53.6	0	0	0	0	111.3	D85 L87 R88 P526 Q531	T79-D85 HydrophobicContact CG2-CB 4.15Å; T79-L87 CarbonylContact O-C 3.53Å; T79-L87 WeakPolarHBondContact O-CA 3.43Å; T79-L87 PolarHBondContact O-N 3.17Å; T79-R88 PolarHBondContact N-O 3.19Å; T79-R88 PolarHBondContact O-N 2.91Å; T79-P526 HydrophobicContact CG2-CG 4.19Å; T79-Q531 HydrophobicContact CG2-CG 3.92Å; T79-Q531 WeakPolarHBondContact OG1-CG 3.48Å; T79-Q531 PolarHBondContact OG1-NE2 2.96Å
80	T	98.4	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.7	165	-61.1	0	0	0	0	109.1	D85 L87 W395 H460 S529 I530	T80-D85 VanDerWaalsContact CA-O 3.27Å; T80-D85 WeakPolarHBondContact CA-O 3.4Å; T80-L87 PolarHBondContact OG1-N 3.35Å; T80-W395 HydrophobicContact CG2-CH2 4.24Å; T80-W395 HydrophobicContact CG2-CZ3 4.03Å; T80-H460 WeakPolarHBondContact CB-NE2 3.5Å; T80-H460 PolarHBondContact N-NE2 3.1Å; T80-H460 PolarHBondContact OG1-NE2 3.48Å; T80-S529 CarbonylContact O-C 3.52Å; T80-S529 WeakPolarHBondContact O-CA 3.46Å; T80-S529 VanDerWaalsContact O-CB 3.32Å; T80-S529 WeakPolarHBondContact O-CB 3.31Å; T80-I530 PolarHBondContact N-O 2.95Å; T80-I530 PolarHBondContact O-N 2.94Å
81	G	97.4	Very high	95.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	159.6	-174.2	0	0	0	0	0	114.2	S83 G84 D85 R86 W395	G81-S83 PolarHBondContact O-N 2.82Å; G81-G84 PolarHBondContact O-N 2.98Å; G81-D85 PolarHBondContact N-O 2.78Å; G81-R86 PolarHBondContact O-NH1 2.7Å; G81-W395 VanDerWaalsContact C-CH2 3.47Å; G81-W395 VanDerWaalsContact CA-CH2 3.41Å
82	K	97.4	Very high	95.5	Very high	79 Å²	79	36.4 Å²	36.4	34%	0.343	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-33.4	172.4	-172	178.6	174.8	-173.6	0	112.2	G50 S51 G84 W395 E506 S528	G50-K82 VanDerWaalsContact O-CG 3.25Å; G50-K82 WeakPolarHBondContact O-CG 3.28Å; S51-K82 PolarHBondContact OG-O 2.91Å; K82-G84 PolarHBondContact O-N 3.12Å; K82-W395 HydrophobicContact CB-CB 4.41Å; K82-W395 HydrophobicContact CB-CD2 3.63Å; K82-W395 HydrophobicContact CB-CE3 4.22Å; K82-W395 HydrophobicContact CB-CG 3.65Å; K82-W395 HydrophobicContact CD-CG 4.15Å; K82-W395 HydrophobicContact CG-CB 3.97Å; K82-W395 HydrophobicContact CG-CD2 4.19Å; K82-W395 HydrophobicContact CG-CG 3.67Å; K82-E506 IonicContact NZ-OE1 2.65Å; K82-E506 IonicContact NZ-OE2 3.09Å; K82-S528 PolarHBondContact N-O 2.91Å
83	S	94.9	Very high	95.9	Very high	87 Å²	87	38.9 Å²	38.9	61%	0.608	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.6	175.6	54.8	0	0	0	0	114.9	G81 D85	G81-S83 PolarHBondContact O-N 2.82Å; S83-D85 PolarHBondContact OG-OD2 3.03Å
84	G	94.6	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	109.9	2.8	177.9	0	0	0	0	0	115	R44 G81 K82 R86	R44-G84 PolarHBondContact NE-O 3.14Å; R44-G84 PolarHBondContact NH2-O 3.39Å; G81-G84 PolarHBondContact O-N 2.98Å; K82-G84 PolarHBondContact O-N 3.12Å; G84-R86 WeakPolarHBondContact O-CG 3.33Å
85	D	95.9	Very high	95.8	Very high	29 Å²	29	37.4 Å²	37.4	16%	0.155	19%	0.194	C	C	.	.			trans	-64.3	137.1	167.5	-66.3	-57	0	0	0	109.9	T79 T80 G81 S83 R88	T79-D85 HydrophobicContact CG2-CB 4.15Å; T80-D85 VanDerWaalsContact CA-O 3.27Å; T80-D85 WeakPolarHBondContact CA-O 3.4Å; G81-D85 PolarHBondContact N-O 2.78Å; S83-D85 PolarHBondContact OG-OD2 3.03Å; D85-R88 HydrophobicContact CB-CB 4.26Å; D85-R88 WeakPolarHBondContact OD1-CD 3.27Å; D85-R88 IonicContact OD1-NH1 3.57Å
86	R	97.1	Very high	95.2	Very high	18 Å²	18	44.8 Å²	44.8	7%	0.068	23%	0.226	C	C	.	.	S	Bend	trans	-138.5	84	-169.6	-66.4	-71.4	174.9	-89.2	2.4	108.8	C42 S51 S52 G81 G84 R88 Y456	C42-R86 HydrophobicContact CB-CG 4.43Å; S51-R86 PolarHBondContact OG-NH2 3.47Å; S52-R86 PolarHBondContact O-NH2 3.1Å; G81-R86 PolarHBondContact O-NH1 2.7Å; G84-R86 WeakPolarHBondContact O-CG 3.33Å; R86-R88 PolarHBondContact O-N 3.4Å; R86-Y456 HydrophobicContact CB-CD1 3.67Å; R86-Y456 HydrophobicContact CB-CD2 4.4Å; R86-Y456 HydrophobicContact CB-CE1 3.66Å; R86-Y456 HydrophobicContact CB-CE2 4.4Å; R86-Y456 HydrophobicContact CB-CG 4.05Å; R86-Y456 VanDerWaalsContact CD-CE2 3.48Å; R86-Y456 HydrophobicContact CG-CD1 4.45Å; R86-Y456 HydrophobicContact CG-CD2 4.32Å; R86-Y456 HydrophobicContact CG-CE1 4.4Å; R86-Y456 HydrophobicContact CG-CE2 4.27Å; R86-Y456 HydrophobicContact CG-CG 4.41Å
87	L	97.5	Very high	94.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.249	C	C	.	.	S	Bend	trans	48.7	41.7	-167.9	-65.7	167.3	0	0	0	112.3	V64 Y78 T79 T80 R89 I155 Y456 H460 F464	V64-L87 HydrophobicContact CB-CD1 4.47Å; V64-L87 HydrophobicContact CG1-CB 4.05Å; V64-L87 HydrophobicContact CG1-CD1 3.89Å; V64-L87 HydrophobicContact CG2-CD1 3.65Å; Y78-L87 HydrophobicContact CD1-CB 4.47Å; Y78-L87 WeakPolarHBondContact CD1-O 3.48Å; T79-L87 CarbonylContact O-C 3.53Å; T79-L87 WeakPolarHBondContact O-CA 3.43Å; T79-L87 PolarHBondContact O-N 3.17Å; T80-L87 PolarHBondContact OG1-N 3.35Å; L87-R89 PolarHBondContact O-N 3.03Å; L87-I155 HydrophobicContact CD1-CG2 3.99Å; L87-Y456 HydrophobicContact CB-CD1 4.48Å; L87-Y456 HydrophobicContact CD1-CD1 4.03Å; L87-Y456 HydrophobicContact CG-CD1 4.12Å; L87-H460 WeakPolarHBondContact CD2-NE2 3.35Å; L87-F464 HydrophobicContact CD2-CE2 3.92Å
88	R	95.8	Very high	92.7	Very high	148 Å²	148	52.5 Å²	52.5	56%	0.558	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	123.5	-179.3	-177	179.3	177.2	-142.4	-2.8	109.9	Y78 T79 D85 R86	Y78-R88 WeakPolarHBondContact CA-O 3.28Å; T79-R88 PolarHBondContact N-O 3.19Å; T79-R88 PolarHBondContact O-N 2.91Å; D85-R88 HydrophobicContact CB-CB 4.26Å; D85-R88 WeakPolarHBondContact OD1-CD 3.27Å; D85-R88 IonicContact OD1-NH1 3.57Å; R86-R88 PolarHBondContact O-N 3.4Å
89	R	95.8	Very high	90.8	Very high	55 Å²	55	62 Å²	62	21%	0.208	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	144.6	178.6	-166.9	-177.8	174.3	-81.7	2	111.3	E65 V76 V77 Y78 L87 T91	E65-R89 HydrophobicContact CB-CB 4.26Å; E65-R89 VanDerWaalsContact CD-CB 3.49Å; E65-R89 HydrophobicContact CG-CB 4.37Å; E65-R89 WeakPolarHBondContact OE1-CB 3.24Å; E65-R89 VanDerWaalsContact OE2-CD 3.31Å; E65-R89 WeakPolarHBondContact OE2-CD 3.36Å; V76-R89 HydrophobicContact CG1-CG 3.79Å; V77-R89 CarbonylContact O-C 3.49Å; V77-R89 VanDerWaalsContact O-CA 3.32Å; V77-R89 WeakPolarHBondContact O-CA 3.26Å; Y78-R89 HydrophobicContact CD1-CB 4.31Å; Y78-R89 HydrophobicContact CE1-CB 3.96Å; Y78-R89 HydrophobicContact CE1-CG 4.06Å; L87-R89 PolarHBondContact O-N 3.03Å; R89-T91 PolarHBondContact NH1-OG1 3.17Å
90	S	95.3	Very high	88.9	Confident	51 Å²	51	70.5 Å²	70.5	36%	0.357	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	163.2	165.7	57	0	0	0	0	109.5	V76 V77	V76-S90 WeakPolarHBondContact CA-O 3.1Å; V77-S90 PolarHBondContact N-O 2.97Å; V77-S90 PolarHBondContact O-N 3.22Å
91	T	95.5	Very high	87.2	Confident	58 Å²	58	72.6 Å²	72.6	36%	0.356	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.7	179.2	-59	0	0	0	0	109.7	E74 A75 R89	E74-T91 HydrophobicContact CB-CG2 3.92Å; E74-T91 HydrophobicContact CG-CG2 4.39Å; E74-T91 WeakPolarHBondContact OE2-CG2 3.23Å; A75-T91 CarbonylContact O-C 3.49Å; A75-T91 WeakPolarHBondContact O-CA 3.45Å; R89-T91 PolarHBondContact NH1-OG1 3.17Å
92	L	94.7	Very high	85.5	Confident	46 Å²	46	75 Å²	75	24%	0.241	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.4	176.1	-60	177.4	0	0	0	109.6	E74 A75 V77 L521 F523	E74-L92 CarbonylContact C-O 3.59Å; E74-L92 WeakPolarHBondContact CA-O 3.42Å; E74-L92 WeakPolarHBondContact CB-O 3.5Å; A75-L92 PolarHBondContact N-O 3Å; A75-L92 PolarHBondContact O-N 3.48Å; V77-L92 HydrophobicContact CG2-CD1 3.46Å; V77-L92 VanDerWaalsContact CG2-CD1 3.46Å; V77-L92 HydrophobicContact CG2-CG 3.83Å; L92-L521 HydrophobicContact CB-CD1 4.07Å; L92-L521 HydrophobicContact CD1-CD1 4.05Å; L92-F523 HydrophobicContact CD1-CB 3.5Å; L92-F523 HydrophobicContact CD1-CG 4.34Å
93	N	93.1	Very high	84	Confident	117 Å²	117	80.8 Å²	80.8	63%	0.626	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	146.6	173.3	-69.6	-52.6	0	0	0	110.8
94	F	91.7	Very high	82.9	Confident	24 Å²	24	77.5 Å²	77.5	11%	0.105	41%	0.406	C	S	.	.			trans	-67.9	151.5	167.6	-57.2	-21.2	0	0	0	110.7	D72 N73 E74 A75 L515 N519 L521 W535	D72-F94 VanDerWaalsContact O-CE2 3.28Å; D72-F94 WeakPolarHBondContact O-CE2 3.21Å; N73-F94 HydrophobicContact CB-CD2 4.48Å; N73-F94 PolarHBondContact O-N 2.89Å; E74-F94 WeakPolarHBondContact O-CZ 3.47Å; A75-F94 HydrophobicContact CB-CE1 4.09Å; F94-L515 HydrophobicContact CD1-CD1 3.53Å; F94-L515 HydrophobicContact CD2-CD1 4.01Å; F94-L515 HydrophobicContact CE1-CD1 3.51Å; F94-L515 HydrophobicContact CE2-CD1 4Å; F94-L515 HydrophobicContact CG-CD1 3.8Å; F94-L515 HydrophobicContact CZ-CD1 3.76Å; F94-N519 HydrophobicContact CB-CB 4.36Å; F94-L521 HydrophobicContact CD1-CB 4.37Å; F94-L521 HydrophobicContact CD1-CD1 4.21Å; F94-L521 HydrophobicContact CE1-CD1 4.34Å; F94-W535 HydrophobicContact CE1-CB 4.26Å; F94-W535 HydrophobicContact CE1-CG 4.48Å; F94-W535 HydrophobicContact CZ-CB 3.83Å; F94-W535 AromaticContact CZ-CD1 3.98Å; F94-W535 HydrophobicContact CZ-CG 4.09Å
95	T	88.7	Confident	82.3	Confident	60 Å²	60	77.7 Å²	77.7	37%	0.368	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.6	177.5	56.3	0	0	0	0	109.3	N519 M520 Y522	T95-N519 CarbonylContact O-C 3.53Å; T95-N519 WeakPolarHBondContact O-CA 3.34Å; T95-M520 PolarHBondContact N-O 3.34Å; T95-M520 PolarHBondContact O-N 2.76Å; T95-M520 PolarHBondContact OG1-O 3.4Å; T95-M520 VanDerWaalsContact OG1-O 3.13Å; T95-Y522 WeakPolarHBondContact OG1-CD2 3.37Å; T95-Y522 WeakPolarHBondContact OG1-CE2 3.28Å
96	K	83.6	Confident	82.1	Confident	155 Å²	155	76.3 Å²	76.3	67%	0.674	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	142.9	172.8	-70.7	-172.7	175.9	-177.2	0	109.9	S98	K96-S98 PolarHBondContact O-N 3.3Å
97	A	74.9	Confident	81.9	Confident	59 Å²	59	76.8 Å²	76.8	49%	0.488	41%	0.405	S	S	.	.	S	Bend	trans	-58.7	95.6	173.5	0	0	0	0	0	110.6	S518 M520	A97-S518 VanDerWaalsContact CB-O 3.31Å; A97-S518 WeakPolarHBondContact CB-O 3.23Å; A97-S518 PolarHBondContact N-O 2.84Å; A97-M520 HydrophobicContact CB-CG 3.82Å; A97-M520 HydrophobicContact CB-SD 4.31Å
98	S	66.6	Low	81.7	Confident	105 Å²	105	76.8 Å²	76.8	73%	0.734	40%	0.404	S	S	*	.			trans	-128.9	-11.9	172.8	68	0	0	0	0	112.8	K96	K96-S98 PolarHBondContact O-N 3.3Å
99	R	58.5	Low	81.7	Confident	199 Å²	199	71.7 Å²	71.7	75%	0.751	39%	0.392	S	S	*	.	S	Bend	trans	-112.6	130.2	-176.3	-65.8	-176.3	178.2	-174.7	-0.5	110.2	S101 Y522	R99-S101 PolarHBondContact O-N 3.47Å; R99-Y522 PolarHBondContact O-OH 2.93Å
100	Q	59.6	Low	81.7	Confident	190 Å²	190	70.7 Å²	70.7	89%	0.888	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-55.7	136.1	157.1	-70.3	-178.2	-8.5	0	0	107.7	G102	Q100-G102 PolarHBondContact O-N 2.65Å
101	S	61.9	Low	81.6	Confident	44 Å²	44	71.9 Å²	71.9	31%	0.308	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-52	123.8	170.4	54.1	0	0	0	0	108.5	R99 S105	R99-S101 PolarHBondContact O-N 3.47Å; S101-S105 WeakPolarHBondContact CB-OG 3.38Å
102	G	63	Low	81.5	Confident	49 Å²	49	71.3 Å²	71.3	51%	0.505	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-57.2	146.8	179.3	0	0	0	0	0	111	Q100 G104 S105 T479	Q100-G102 PolarHBondContact O-N 2.65Å; G102-G104 PolarHBondContact O-N 2.87Å; G102-S105 WeakPolarHBondContact O-CB 3.33Å; G102-S105 PolarHBondContact O-N 3.26Å; G102-S105 VanDerWaalsContact O-N 3.1Å; G102-S105 PolarHBondContact O-OG 2.74Å; G102-T479 PolarHBondContact O-OG1 2.82Å
103	Q	64.4	Low	81.5	Confident	201 Å²	201	77.7 Å²	77.7	94%	0.939	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	131.5	174.8	-162.9	174.4	5.9	0	0	109.8
104	G	71.6	Confident	81.6	Confident	18 Å²	18	77.5 Å²	77.5	19%	0.186	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	0.1	-176.7	0	0	0	0	0	115.3	G102 T479	G102-G104 PolarHBondContact O-N 2.87Å; G104-T479 WeakPolarHBondContact CA-O 3.39Å; G104-T479 PolarHBondContact N-O 3.15Å; G104-T479 PolarHBondContact N-OG1 2.83Å
105	S	83.6	Confident	81.8	Confident	4 Å²	4	79.7 Å²	79.7	3%	0.028	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-82.4	148.2	173.3	61.5	0	0	0	0	112.6	S101 G102 T479 P510	S101-S105 WeakPolarHBondContact CB-OG 3.38Å; G102-S105 WeakPolarHBondContact O-CB 3.33Å; G102-S105 PolarHBondContact O-N 3.26Å; G102-S105 VanDerWaalsContact O-N 3.1Å; G102-S105 PolarHBondContact O-OG 2.74Å; S105-T479 PolarHBondContact N-OG1 2.77Å; S105-T479 VanDerWaalsContact N-OG1 3.12Å; S105-T479 PolarHBondContact O-N 2.69Å; S105-T479 VanDerWaalsContact O-N 3.08Å; S105-T479 PolarHBondContact O-OG1 3.09Å; S105-P510 WeakPolarHBondContact CA-O 3.42Å
106	I	90.6	Very high	82.2	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.5	167.4	-166.8	166.9	0	0	0	110.1	I108 A476 L478 L484 P485 I487 L509 P510 V511 T512	I106-I108 HydrophobicContact CG1-CG1 4.37Å; I106-I108 HydrophobicContact CG2-CG1 4.4Å; I106-A476 HydrophobicContact CD1-CB 3.87Å; I106-A476 HydrophobicContact CG1-CB 4.22Å; I106-L478 HydrophobicContact CB-CD1 3.98Å; I106-L478 HydrophobicContact CG1-CD1 4.38Å; I106-L484 HydrophobicContact CD1-CD2 4.01Å; I106-P485 HydrophobicContact CD1-CG 3.5Å; I106-P485 VanDerWaalsContact CD1-CG 3.5Å; I106-I487 HydrophobicContact CD1-CD1 4.05Å; I106-L509 HydrophobicContact CG2-CD1 4.17Å; I106-L509 HydrophobicContact CG2-CD2 4.37Å; I106-L509 HydrophobicContact CG2-CG 4.31Å; I106-P510 PolarHBondContact N-O 2.84Å; I106-V511 HydrophobicContact CG2-CB 4.11Å; I106-V511 HydrophobicContact CG2-CG1 4.1Å; I106-V511 HydrophobicContact CG2-CG2 3.67Å; I106-T512 PolarHBondContact O-N 3.42Å
107	V	92.5	Very high	82.9	Confident	29 Å²	29	72.4 Å²	72.4	18%	0.176	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116	173.4	-176.3	0	0	0	0	108.3	A476 N477 T512 P514	V107-A476 WeakPolarHBondContact O-CA 3.4Å; V107-N477 PolarHBondContact N-O 2.84Å; V107-N477 PolarHBondContact O-N 3.37Å; V107-T512 WeakPolarHBondContact CA-O 3.4Å; V107-P514 HydrophobicContact CG1-CG 3.91Å
108	I	94.5	Very high	84	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.4	178.4	-56.3	175.7	0	0	0	108.5	I106 L110 H474 T475 A476 I487 L499 V501 V511 T512 V513 P514	I106-I108 HydrophobicContact CG1-CG1 4.37Å; I106-I108 HydrophobicContact CG2-CG1 4.4Å; I108-L110 HydrophobicContact CG2-CD2 4.06Å; I108-H474 HydrophobicContact CG2-CB 4.44Å; I108-T475 CarbonylContact C-O 3.44Å; I108-T475 WeakPolarHBondContact CA-O 3.36Å; I108-A476 HydrophobicContact CG1-CB 4.42Å; I108-I487 HydrophobicContact CD1-CD1 3.51Å; I108-I487 HydrophobicContact CD1-CG1 3.95Å; I108-I487 HydrophobicContact CD1-CG2 4.26Å; I108-I487 HydrophobicContact CG1-CD1 3.81Å; I108-I487 HydrophobicContact CG2-CG2 4.35Å; I108-L499 HydrophobicContact CD1-CD1 4.43Å; I108-L499 HydrophobicContact CD1-CD2 4.21Å; I108-L499 HydrophobicContact CG2-CD1 4.22Å; I108-V501 HydrophobicContact CD1-CG2 4.03Å; I108-V511 HydrophobicContact CD1-CG1 3.56Å; I108-V511 HydrophobicContact CG1-CG1 4.08Å; I108-T512 PolarHBondContact N-O 2.89Å; I108-V513 HydrophobicContact CB-CG2 4.36Å; I108-P514 WeakPolarHBondContact O-CD 3.36Å
109	S	94.9	Very high	85.6	Confident	42 Å²	42	68.6 Å²	68.6	29%	0.294	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122	177.2	-63.4	0	0	0	0	110.1	H474 T475	S109-H474 CarbonylContact O-C 3.53Å; S109-H474 VanDerWaalsContact O-CA 3.23Å; S109-H474 WeakPolarHBondContact O-CA 3.31Å; S109-T475 PolarHBondContact N-O 3.24Å; S109-T475 PolarHBondContact O-N 3.48Å
110	L	95.6	Very high	87.5	Confident	33 Å²	33	60 Å²	60	17%	0.173	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	137.7	179.4	-54.9	-176.4	0	0	0	111.1	I108 M112 I472 H474 A489 I497 W535	I108-L110 HydrophobicContact CG2-CD2 4.06Å; L110-M112 HydrophobicContact CB-SD 4.09Å; L110-I472 HydrophobicContact CB-CD1 4.22Å; L110-I472 HydrophobicContact CD1-CD1 4.13Å; L110-H474 HydrophobicContact CD2-CB 3.88Å; L110-A489 HydrophobicContact CD2-CB 3.62Å; L110-I497 HydrophobicContact CD1-CG2 3.69Å; L110-W535 HydrophobicContact CD1-CH2 3.78Å; L110-W535 HydrophobicContact CD1-CZ2 3.56Å
111	Q	95	Very high	89.3	Confident	77 Å²	77	51 Å²	51	36%	0.36	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	84.1	176.7	-61.4	178.4	24.6	0	0	109.3	E113 K114 A473	Q111-E113 PolarHBondContact O-N 2.96Å; Q111-K114 HydrophobicContact CB-CB 4.22Å; Q111-K114 PolarHBondContact O-N 3.26Å; Q111-A473 HydrophobicContact CB-CB 4.1Å; Q111-A473 PolarHBondContact N-O 3.27Å
112	M	92.2	Very high	91.1	Very high	45 Å²	45	49 Å²	49	22%	0.222	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	-29.3	-170	-58.1	-62.7	-71.9	0	0	114.4	L110 K114 I472 I497 Q537	L110-M112 HydrophobicContact CB-SD 4.09Å; M112-K114 VanDerWaalsContact C-N 3.34Å; M112-I472 HydrophobicContact SD-CD1 3.82Å; M112-I497 HydrophobicContact CE-CD1 3.21Å; M112-I497 HydrophobicContact CE-CG1 3.75Å; M112-I497 HydrophobicContact SD-CD1 4.22Å; M112-Q537 HydrophobicContact CE-CB 4.42Å; M112-Q537 HydrophobicContact CE-CG 3.6Å
113	E	94	Very high	92.8	Very high	180 Å²	180	46.6 Å²	46.6	84%	0.841	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	-10.6	-179.9	-56.5	-53	139.7	0	0	113.4	Q111 E115	Q111-E113 PolarHBondContact O-N 2.96Å; E113-E115 PolarHBondContact O-N 2.88Å
114	K	96.2	Very high	94.4	Very high	113 Å²	113	37 Å²	37	49%	0.491	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	72.7	-178.4	-168.4	171.5	178.5	-178.2	0	110.2	Q111 M112 M116 A473	Q111-K114 HydrophobicContact CB-CB 4.22Å; Q111-K114 PolarHBondContact O-N 3.26Å; M112-K114 VanDerWaalsContact C-N 3.34Å; K114-M116 HydrophobicContact CD-CE 4.48Å; K114-M116 HydrophobicContact CG-CE 4.48Å; K114-A473 HydrophobicContact CB-CB 3.96Å; K114-A473 HydrophobicContact CD-CB 3.69Å; K114-A473 HydrophobicContact CG-CB 3.88Å; K114-A473 PolarHBondContact O-N 3Å; K114-A473 VanDerWaalsContact O-N 3.08Å
115	E	96.9	Very high	95.7	Very high	70 Å²	70	36.2 Å²	36.2	33%	0.327	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	143.4	171.5	-62.1	-177	174.2	0	0	110.7	E113 K470 R471 I472 K491	E113-E115 PolarHBondContact O-N 2.88Å; E115-K470 HydrophobicContact CB-CD 4.2Å; E115-K470 HydrophobicContact CG-CD 4.37Å; E115-K470 WeakPolarHBondContact OE2-CD 3.48Å; E115-K470 WeakPolarHBondContact OE2-CE 3.4Å; E115-K470 IonicContact OE2-NZ 3.68Å; E115-K470 PolarHBondContact OE2-NZ 3.01Å; E115-R471 CarbonylContact C-O 3.42Å; E115-R471 WeakPolarHBondContact CA-O 3.27Å; E115-I472 HydrophobicContact CG-CG2 4.31Å; E115-K491 WeakPolarHBondContact OE1-CD 3.38Å; E115-K491 IonicContact OE1-NZ 3.31Å; E115-K491 PolarHBondContact OE1-NZ 2.82Å
116	M	96.6	Very high	96.5	Very high	46 Å²	46	36.2 Å²	36.2	23%	0.227	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	-136.5	-176.9	-66.5	168.5	164.4	0	0	109.2	K114 W412 R471 A473	K114-M116 HydrophobicContact CD-CE 4.48Å; K114-M116 HydrophobicContact CG-CE 4.48Å; M116-W412 HydrophobicContact CB-CH2 4.06Å; M116-W412 HydrophobicContact CB-CZ3 3.66Å; M116-W412 HydrophobicContact CG-CH2 3.91Å; M116-W412 HydrophobicContact CG-CZ3 4.05Å; M116-W412 HydrophobicContact SD-CH2 4.33Å; M116-R471 HydrophobicContact CB-CB 4.19Å; M116-R471 PolarHBondContact N-O 2.97Å; M116-R471 PolarHBondContact SD-NE 3.3Å; M116-R471 PolarHBondContact SD-NH2 2.8Å; M116-A473 HydrophobicContact CE-CB 3.72Å; M116-A473 HydrophobicContact SD-CB 4.48Å
117	Q	97.8	Very high	96.9	Very high	17 Å²	17	36.2 Å²	36.2	8%	0.079	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	153.8	-177.5	76.7	-78	12.7	0	0	113.5	L409 W412 F413 V414 K470 R471	Q117-L409 PolarHBondContact NE2-O 3.46Å; Q117-W412 HydrophobicContact CB-CE3 4.13Å; Q117-F413 PolarHBondContact NE2-O 3.38Å; Q117-V414 HydrophobicContact CB-CG1 3.9Å; Q117-V414 HydrophobicContact CG-CG1 3.87Å; Q117-K470 WeakPolarHBondContact O-CA 3.37Å; Q117-R471 PolarHBondContact O-N 3.49Å
118	E	98.4	Very high	97.2	Very high	81 Å²	81	34.8 Å²	34.8	38%	0.379	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130	178.2	-177.5	169.6	147	0	0	110.8	V120 V414 G468 S469 K470 K493	E118-V120 PolarHBondContact O-N 3.48Å; E118-V414 VanDerWaalsContact O-CB 3.3Å; E118-V414 WeakPolarHBondContact O-CB 3.25Å; E118-V414 WeakPolarHBondContact O-CG1 3.5Å; E118-G468 VanDerWaalsContact OE1-CA 3.3Å; E118-G468 WeakPolarHBondContact OE1-CA 3.32Å; E118-S469 CarbonylContact C-O 3.48Å; E118-S469 WeakPolarHBondContact CA-O 3.38Å; E118-K470 HydrophobicContact CB-CG 4.14Å; E118-K470 HydrophobicContact CG-CG 4.28Å; E118-K493 IonicContact OE1-NZ 2.84Å; E118-K493 PolarHBondContact OE1-NZ 2.89Å
119	I	98.9	Very high	97.4	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-66.2	130.8	-180	-63.3	-59.8	0	0	0	111.2	F122 L409 V414 L465 P467 G468 S469 F490	I119-F122 HydrophobicContact CD1-CZ 4.34Å; I119-F122 HydrophobicContact CG2-CD2 4.38Å; I119-F122 HydrophobicContact CG2-CE2 3.72Å; I119-F122 HydrophobicContact CG2-CZ 4.42Å; I119-L409 HydrophobicContact CD1-CD2 3.64Å; I119-V414 CarbonylContact C-O 3.52Å; I119-V414 WeakPolarHBondContact CA-O 3.42Å; I119-L465 HydrophobicContact CG1-CB 4.42Å; I119-L465 WeakPolarHBondContact CG2-O 3.49Å; I119-P467 CarbonylContact O-C 3.17Å; I119-P467 WeakPolarHBondContact O-CA 3.33Å; I119-G468 PolarHBondContact O-N 3.18Å; I119-S469 WeakPolarHBondContact CG1-O 3.34Å; I119-S469 PolarHBondContact N-O 3.23Å; I119-F490 HydrophobicContact CD1-CE1 3.62Å; I119-F490 HydrophobicContact CD1-CZ 4.06Å; I119-F490 HydrophobicContact CG1-CD1 4.06Å; I119-F490 HydrophobicContact CG1-CE1 3.65Å; I119-F490 HydrophobicContact CG1-CZ 4.45Å
120	V	98.8	Very high	97.6	Very high	19 Å²	19	32.9 Å²	32.9	12%	0.115	16%	0.155	C	C	.	.			trans	-86.8	-43.1	171.1	170.5	0	0	0	0	111.3	E118 M159 K214 W269 F345 I374 V414 P467	E118-V120 PolarHBondContact O-N 3.48Å; V120-M159 HydrophobicContact CG1-CE 4.21Å; V120-M159 HydrophobicContact CG1-SD 3.96Å; V120-K214 HydrophobicContact CG1-CD 3.61Å; V120-K214 PolarHBondContact O-NZ 2.93Å; V120-W269 HydrophobicContact CG1-CH2 3.58Å; V120-W269 HydrophobicContact CG1-CZ2 3.77Å; V120-W269 HydrophobicContact CG1-CZ3 4.31Å; V120-F345 HydrophobicContact CG2-CE1 3.95Å; V120-F345 HydrophobicContact CG2-CZ 4.11Å; V120-I374 HydrophobicContact CG1-CD1 4.36Å; V120-V414 HydrophobicContact CB-CB 4.35Å; V120-V414 HydrophobicContact CB-CG2 4Å; V120-V414 HydrophobicContact CG2-CB 3.94Å; V120-V414 HydrophobicContact CG2-CG2 3.46Å; V120-V414 VanDerWaalsContact CG2-CG2 3.46Å; V120-V414 PolarHBondContact N-O 3.22Å; V120-P467 WeakPolarHBondContact O-CB 3.39Å; V120-P467 WeakPolarHBondContact O-CG 3.07Å
121	G	98.7	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.4	-175.2	176.3	0	0	0	0	0	114.4	T158 V414 G415 W416	G121-T158 WeakPolarHBondContact CA-OG1 3.47Å; G121-V414 PolarHBondContact N-O 3.33Å; G121-G415 WeakPolarHBondContact O-CA 3.36Å; G121-W416 PolarHBondContact O-N 3.14Å
122	F	98.9	Very high	97.9	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.5	-179.2	-60.1	-92.3	0	0	0	109.4	I119 T158 M159 I405 L409 W416 F461 L465	I119-F122 HydrophobicContact CD1-CZ 4.34Å; I119-F122 HydrophobicContact CG2-CD2 4.38Å; I119-F122 HydrophobicContact CG2-CE2 3.72Å; I119-F122 HydrophobicContact CG2-CZ 4.42Å; F122-T158 PolarHBondContact O-N 2.82Å; F122-M159 PolarHBondContact O-N 2.89Å; F122-I405 HydrophobicContact CE1-CG2 4.25Å; F122-L409 HydrophobicContact CE1-CD2 4.45Å; F122-L409 HydrophobicContact CZ-CD1 4.37Å; F122-L409 HydrophobicContact CZ-CD2 4.11Å; F122-W416 VanDerWaalsContact CA-O 3.31Å; F122-W416 WeakPolarHBondContact CA-O 3.18Å; F122-W416 HydrophobicContact CD1-CB 3.82Å; F122-W416 HydrophobicContact CE1-CB 4.03Å; F122-F461 HydrophobicContact CD1-CB 4.06Å; F122-F461 HydrophobicContact CD2-CB 4.48Å; F122-F461 HydrophobicContact CE1-CB 3.71Å; F122-F461 HydrophobicContact CE2-CB 4.16Å; F122-F461 HydrophobicContact CG-CB 4.44Å; F122-F461 HydrophobicContact CZ-CB 3.77Å; F122-L465 HydrophobicContact CE2-CB 3.98Å; F122-L465 HydrophobicContact CE2-CD1 4.48Å; F122-L465 HydrophobicContact CZ-CD1 4.29Å
123	G	98.8	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	-168.6	-171.6	0	0	0	0	0	115.9	Y157 M159 W416 V417 D418	G123-Y157 VanDerWaalsContact CA-CD2 3.47Å; G123-Y157 WeakPolarHBondContact O-CE2 3.33Å; G123-M159 VanDerWaalsContact CA-O 3.27Å; G123-M159 WeakPolarHBondContact CA-O 3.42Å; G123-W416 PolarHBondContact N-O 3.45Å; G123-W416 VanDerWaalsContact N-O 3.14Å; G123-V417 WeakPolarHBondContact O-CA 3.37Å; G123-D418 PolarHBondContact O-N 3.39Å
124	G	98.8	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	169.4	170.4	0	0	0	0	0	111	G160 R161 D418	G124-G160 VanDerWaalsContact O-CA 3.32Å; G124-G160 WeakPolarHBondContact O-CA 3.49Å; G124-R161 PolarHBondContact O-N 2.91Å; G124-R161 VanDerWaalsContact O-N 3.11Å; G124-D418 CarbonylContact C-O 3.55Å; G124-D418 VanDerWaalsContact CA-O 3.26Å; G124-D418 WeakPolarHBondContact CA-O 3.35Å
125	A	98.9	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.6	179.6	0	0	0	0	0	114	T127 R161 D418 W419 L421	A125-T127 VanDerWaalsContact C-N 3.28Å; A125-T127 HydrophobicContact CB-CG2 3.98Å; A125-T127 PolarHBondContact O-N 3.44Å; A125-R161 CarbonylContact C-O 3.57Å; A125-R161 VanDerWaalsContact CA-O 3.28Å; A125-R161 WeakPolarHBondContact CA-O 3.49Å; A125-R161 HydrophobicContact CB-CB 3.73Å; A125-R161 HydrophobicContact CB-CG 4.27Å; A125-D418 PolarHBondContact N-O 3.27Å; A125-W419 HydrophobicContact CB-CE3 3.89Å; A125-W419 HydrophobicContact CB-CZ3 3.84Å; A125-W419 WeakPolarHBondContact CB-O 3.45Å; A125-L421 WeakPolarHBondContact O-CG 3.45Å; A125-L421 PolarHBondContact O-N 2.98Å
126	F	98.9	Very high	98.7	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.018	9%	0.088	C	C	.	.			trans	-85.2	66.7	168.8	-65.3	-86.5	0	0	0	109.7	Y150 R161 P163 I202 A205 L215 L421	F126-Y150 HydrophobicContact CE1-CE2 4.49Å; F126-Y150 WeakPolarHBondContact CE2-OH 3.49Å; F126-Y150 AromaticContact CZ-CE2 3.87Å; F126-Y150 HydrophobicContact CZ-CE2 3.87Å; F126-Y150 AromaticContact CZ-CZ 3.73Å; F126-Y150 VanDerWaalsContact CZ-OH 3.31Å; F126-Y150 WeakPolarHBondContact CZ-OH 3.27Å; F126-R161 PolarHBondContact N-O 2.86Å; F126-P163 WeakPolarHBondContact O-CD 3.19Å; F126-I202 HydrophobicContact CB-CD1 4.36Å; F126-I202 HydrophobicContact CB-CG1 4.3Å; F126-I202 HydrophobicContact CD1-CG1 3.69Å; F126-I202 HydrophobicContact CD2-CD1 4.39Å; F126-I202 HydrophobicContact CD2-CG1 3.81Å; F126-I202 HydrophobicContact CE1-CG1 3.85Å; F126-I202 HydrophobicContact CE2-CG1 3.96Å; F126-I202 HydrophobicContact CG-CD1 4.22Å; F126-I202 HydrophobicContact CG-CG1 3.66Å; F126-I202 HydrophobicContact CZ-CG1 3.99Å; F126-A205 HydrophobicContact CZ-CB 4.16Å; F126-L215 HydrophobicContact CD2-CD2 4.4Å; F126-L215 HydrophobicContact CE2-CD2 3.99Å; F126-L421 HydrophobicContact CD1-CD1 3.61Å; F126-L421 HydrophobicContact CD2-CD1 4.27Å; F126-L421 HydrophobicContact CE1-CD1 3.52Å; F126-L421 HydrophobicContact CE2-CD1 4.19Å; F126-L421 HydrophobicContact CG-CD1 4Å; F126-L421 HydrophobicContact CZ-CD1 3.83Å
127	T	98.9	Very high	98.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.079	C	C	.	.			trans	-73.3	163.8	173	63	0	0	0	0	111.1	A125 A129 A130 G131 P163 F169 W419 N420	A125-T127 VanDerWaalsContact C-N 3.28Å; A125-T127 HydrophobicContact CB-CG2 3.98Å; A125-T127 PolarHBondContact O-N 3.44Å; T127-A129 PolarHBondContact O-N 3.16Å; T127-A130 PolarHBondContact O-N 3.3Å; T127-A130 WeakPolarHBondContact OG1-CB 3.23Å; T127-A130 PolarHBondContact OG1-N 2.84Å; T127-G131 PolarHBondContact O-N 3.03Å; T127-P163 HydrophobicContact CG2-CG 4.05Å; T127-F169 HydrophobicContact CG2-CB 4.17Å; T127-W419 HydrophobicContact CG2-CH2 3.81Å; T127-W419 HydrophobicContact CG2-CZ2 4.15Å; T127-W419 HydrophobicContact CG2-CZ3 4.11Å; T127-N420 WeakPolarHBondContact CB-OD1 3.17Å; T127-N420 WeakPolarHBondContact CG2-OD1 3.4Å; T127-N420 PolarHBondContact OG1-OD1 3.45Å
128	D	98.9	Very high	98.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-39.5	172.8	-63	-14.8	0	0	0	110.5	G131 I132 S170 Y174 L197 K198	D128-G131 PolarHBondContact O-N 2.81Å; D128-I132 WeakPolarHBondContact O-CB 3.35Å; D128-I132 VanDerWaalsContact O-CG1 3.24Å; D128-I132 WeakPolarHBondContact O-CG1 3.25Å; D128-I132 PolarHBondContact O-N 2.86Å; D128-S170 VanDerWaalsContact OD2-CB 3.24Å; D128-S170 WeakPolarHBondContact OD2-CB 3.17Å; D128-S170 PolarHBondContact OD2-OG 3.32Å; D128-Y174 PolarHBondContact OD1-OH 2.91Å; D128-Y174 VanDerWaalsContact OD1-OH 3.14Å; D128-Y174 VanDerWaalsContact OD2-CE1 3.27Å; D128-Y174 WeakPolarHBondContact OD2-CE1 3.47Å; D128-Y174 PolarHBondContact OD2-OH 3.02Å; D128-L197 HydrophobicContact CB-CD1 4.03Å; D128-K198 WeakPolarHBondContact OD1-CE 3.49Å; D128-K198 IonicContact OD1-NZ 3.26Å
129	A	98.9	Very high	98.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.5	-46.6	174.1	0	0	0	0	0	112.6	T127 G131 I132 N133 F169 L423 P429	T127-A129 PolarHBondContact O-N 3.16Å; A129-G131 VanDerWaalsContact C-N 3.31Å; A129-G131 PolarHBondContact O-N 3.3Å; A129-I132 PolarHBondContact O-N 3.34Å; A129-N133 PolarHBondContact O-N 3.21Å; A129-N133 PolarHBondContact O-ND2 3.26Å; A129-F169 HydrophobicContact CB-CB 3.89Å; A129-F169 HydrophobicContact CB-CD1 3.83Å; A129-F169 HydrophobicContact CB-CG 4.35Å; A129-F169 WeakPolarHBondContact CB-O 3.11Å; A129-F169 PolarHBondContact N-O 2.81Å; A129-L423 HydrophobicContact CB-CD2 3.8Å; A129-P429 HydrophobicContact CB-CG 4.08Å; A129-P429 WeakPolarHBondContact CB-O 3.34Å
130	A	98.9	Very high	98.8	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-45.9	174.7	0	0	0	0	0	111	T127 I132 N133 I134 L421 A422	T127-A130 PolarHBondContact O-N 3.3Å; T127-A130 WeakPolarHBondContact OG1-CB 3.23Å; T127-A130 PolarHBondContact OG1-N 2.84Å; A130-I132 PolarHBondContact O-N 2.95Å; A130-N133 PolarHBondContact O-N 2.59Å; A130-I134 WeakPolarHBondContact O-CB 3.12Å; A130-I134 WeakPolarHBondContact O-CD1 3.49Å; A130-I134 WeakPolarHBondContact O-CG1 3.09Å; A130-I134 PolarHBondContact O-N 3.48Å; A130-L421 HydrophobicContact CB-CB 4.21Å; A130-A422 VanDerWaalsContact CA-O 3.25Å; A130-A422 WeakPolarHBondContact CA-O 3.3Å
131	G	98.9	Very high	98.7	Very high	2 Å²	2	16.4 Å²	16.4	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-63	-37.8	176.9	0	0	0	0	0	114.2	T127 D128 A129 A135 L197 Y201	T127-G131 PolarHBondContact O-N 3.03Å; D128-G131 PolarHBondContact O-N 2.81Å; A129-G131 VanDerWaalsContact C-N 3.31Å; A129-G131 PolarHBondContact O-N 3.3Å; G131-A135 WeakPolarHBondContact O-CB 3.35Å; G131-A135 PolarHBondContact O-N 2.58Å; G131-L197 VanDerWaalsContact CA-O 3.25Å; G131-L197 WeakPolarHBondContact CA-O 3.42Å; G131-Y201 WeakPolarHBondContact O-CE2 3.28Å; G131-Y201 PolarHBondContact O-OH 3.23Å
132	I	98.9	Very high	98.7	Very high	51 Å²	51	17.7 Å²	17.7	26%	0.262	11%	0.109	S	C	.	.	H	α-helix	trans	-65.7	-45.4	177.2	-73.2	162.7	0	0	0	110.8	D128 A129 A130 A135 S136 T171 L197 P429	D128-I132 WeakPolarHBondContact O-CB 3.35Å; D128-I132 VanDerWaalsContact O-CG1 3.24Å; D128-I132 WeakPolarHBondContact O-CG1 3.25Å; D128-I132 PolarHBondContact O-N 2.86Å; A129-I132 PolarHBondContact O-N 3.34Å; A130-I132 PolarHBondContact O-N 2.95Å; I132-A135 PolarHBondContact O-N 3.34Å; I132-S136 PolarHBondContact O-N 3.44Å; I132-T171 HydrophobicContact CD1-CG2 3.54Å; I132-L197 HydrophobicContact CD1-CD1 4.11Å; I132-L197 HydrophobicContact CG1-CD1 3.74Å; I132-L197 HydrophobicContact CG1-CD2 3.9Å; I132-L197 HydrophobicContact CG1-CG 4.46Å; I132-P429 HydrophobicContact CB-CG 4.32Å; I132-P429 HydrophobicContact CD1-CG 3.66Å; I132-P429 HydrophobicContact CG2-CG 4.17Å
133	N	98.9	Very high	98.7	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.032	12%	0.118	C	C	.	.	H	α-helix	trans	-70.7	-33.2	179.9	-73	-58.3	0	0	0	112.7	A129 A130 S136 A422 L423 D424 G428 V442	A129-N133 PolarHBondContact O-N 3.21Å; A129-N133 PolarHBondContact O-ND2 3.26Å; A130-N133 PolarHBondContact O-N 2.59Å; N133-S136 PolarHBondContact O-OG 2.87Å; N133-A422 HydrophobicContact CB-CB 4.42Å; N133-L423 WeakPolarHBondContact ND2-CA 3.31Å; N133-D424 PolarHBondContact ND2-N 2.64Å; N133-D424 WeakPolarHBondContact OD1-CB 3.18Å; N133-D424 PolarHBondContact OD1-N 2.95Å; N133-G428 PolarHBondContact ND2-O 3.41Å; N133-V442 HydrophobicContact CB-CB 4.12Å; N133-V442 HydrophobicContact CB-CG2 3.98Å
134	I	98.9	Very high	98.7	Very high	1 Å²	1	21 Å²	21	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-67.5	-47.3	170.2	-63.5	163.5	0	0	0	108.8	A130 S136 L137 Q142 L145 L146 Y201	A130-I134 WeakPolarHBondContact O-CB 3.12Å; A130-I134 WeakPolarHBondContact O-CD1 3.49Å; A130-I134 WeakPolarHBondContact O-CG1 3.09Å; A130-I134 PolarHBondContact O-N 3.48Å; I134-S136 PolarHBondContact O-N 2.98Å; I134-S136 VanDerWaalsContact O-N 3.12Å; I134-L137 WeakPolarHBondContact O-CB 3.36Å; I134-L137 PolarHBondContact O-N 2.97Å; I134-L137 VanDerWaalsContact O-N 3.1Å; I134-Q142 HydrophobicContact CG2-CB 4.06Å; I134-Q142 HydrophobicContact CG2-CG 3.84Å; I134-Q142 WeakPolarHBondContact O-CG 3.45Å; I134-L145 HydrophobicContact CD1-CD2 4.07Å; I134-L145 HydrophobicContact CG1-CD1 4.09Å; I134-L145 HydrophobicContact CG1-CD2 3.86Å; I134-L146 HydrophobicContact CD1-CD2 4.09Å; I134-Y201 HydrophobicContact CB-CD1 4.47Å; I134-Y201 HydrophobicContact CB-CE1 4.12Å; I134-Y201 HydrophobicContact CB-CE2 4.17Å; I134-Y201 HydrophobicContact CD1-CD2 4.38Å; I134-Y201 HydrophobicContact CD1-CG 4.33Å; I134-Y201 HydrophobicContact CG2-CD1 3.64Å; I134-Y201 HydrophobicContact CG2-CE1 3.31Å; I134-Y201 HydrophobicContact CG2-CE2 4.25Å; I134-Y201 HydrophobicContact CG2-CG 4.24Å
135	A	98.7	Very high	98.7	Very high	47 Å²	47	21 Å²	21	39%	0.388	13%	0.125	S	C	.	.	H	α-helix	trans	-59.5	-27.3	-178.7	0	0	0	0	0	114.1	G131 I132 L137 Y201	G131-A135 WeakPolarHBondContact O-CB 3.35Å; G131-A135 PolarHBondContact O-N 2.58Å; I132-A135 PolarHBondContact O-N 3.34Å; A135-L137 VanDerWaalsContact C-N 3.27Å; A135-L137 PolarHBondContact O-N 2.9Å; A135-Y201 WeakPolarHBondContact CA-OH 3.28Å; A135-Y201 WeakPolarHBondContact CB-OH 3.46Å; A135-Y201 PolarHBondContact N-OH 3.4Å; A135-Y201 VanDerWaalsContact N-OH 3.16Å
136	S	98.6	Very high	98.7	Very high	43 Å²	43	21 Å²	21	30%	0.301	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.1	-178.4	72.8	0	0	0	0	113.7	I132 N133 I134 T444	I132-S136 PolarHBondContact O-N 3.44Å; N133-S136 PolarHBondContact O-OG 2.87Å; I134-S136 PolarHBondContact O-N 2.98Å; I134-S136 VanDerWaalsContact O-N 3.12Å; S136-T444 WeakPolarHBondContact CB-OG1 3.43Å; S136-T444 PolarHBondContact OG-OG1 3.35Å
137	L	98.8	Very high	98.7	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.037	14%	0.135	C	C	.	.	S	Bend	trans	-86	159.2	176.7	-70.8	172.5	0	0	0	112.1	I134 A135 M141 Q142 L145 V442 F449	I134-L137 WeakPolarHBondContact O-CB 3.36Å; I134-L137 PolarHBondContact O-N 2.97Å; I134-L137 VanDerWaalsContact O-N 3.1Å; A135-L137 VanDerWaalsContact C-N 3.27Å; A135-L137 PolarHBondContact O-N 2.9Å; L137-M141 HydrophobicContact CB-CB 3.76Å; L137-M141 HydrophobicContact CD1-CB 4.26Å; L137-M141 HydrophobicContact CD2-CB 4.16Å; L137-M141 HydrophobicContact CG-CB 4.29Å; L137-Q142 HydrophobicContact CB-CG 4.13Å; L137-Q142 PolarHBondContact O-NE2 3.08Å; L137-L145 HydrophobicContact CD1-CD1 3.74Å; L137-V442 HydrophobicContact CD1-CG1 4.14Å; L137-V442 HydrophobicContact CD1-CG2 4.1Å; L137-V442 HydrophobicContact CD2-CG1 3.85Å; L137-V442 HydrophobicContact CG-CG1 3.85Å; L137-F449 HydrophobicContact CD1-CD1 4.14Å
138	S	98.5	Very high	98.7	Very high	24 Å²	24	23.2 Å²	23.2	17%	0.168	14%	0.137	C	C	.	.			trans	-61.6	156.7	171	80.9	0	0	0	0	111.7	E58 L140 M141 Q142 N447	E58-S138 WeakPolarHBondContact OE1-CB 3.15Å; E58-S138 PolarHBondContact OE1-OG 3.02Å; S138-L140 PolarHBondContact O-N 2.94Å; S138-L140 VanDerWaalsContact O-N 3.14Å; S138-M141 WeakPolarHBondContact O-CA 3.45Å; S138-M141 PolarHBondContact O-N 3.1Å; S138-M141 WeakPolarHBondContact OG-CG 3.4Å; S138-M141 PolarHBondContact OG-N 3.28Å; S138-Q142 WeakPolarHBondContact O-CG 3.06Å; S138-Q142 PolarHBondContact O-N 3.12Å; S138-N447 PolarHBondContact N-OD1 3.48Å; S138-N447 PolarHBondContact OG-ND2 2.87Å
139	P	98.3	Very high	98.7	Very high	80 Å²	80	23.2 Å²	23.2	52%	0.519	14%	0.137	S	C	.	.	H	α-helix	trans	-55.5	-34.5	-178.7	-28.3	35.8	0	0	0	114.3	Q143	P139-Q143 VanDerWaalsContact O-CG 3.31Å; P139-Q143 WeakPolarHBondContact O-CG 3.48Å; P139-Q143 PolarHBondContact O-N 2.82Å
140	L	98.1	Very high	98.7	Very high	78 Å²	78	23.3 Å²	23.3	41%	0.408	14%	0.138	S	C	.	.	H	α-helix	trans	-67.7	-45.3	174.7	176.7	60	0	0	0	111.1	E58 S138 Q142 Q143 Q144	E58-L140 HydrophobicContact CB-CD2 4.16Å; E58-L140 HydrophobicContact CG-CD2 4.46Å; S138-L140 PolarHBondContact O-N 2.94Å; S138-L140 VanDerWaalsContact O-N 3.14Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 3.43Å; L140-Q143 WeakPolarHBondContact O-CB 3.13Å; L140-Q143 PolarHBondContact O-N 3.14Å; L140-Q144 HydrophobicContact CD1-CG 4.44Å; L140-Q144 WeakPolarHBondContact O-CG 3.18Å; L140-Q144 PolarHBondContact O-N 3.44Å
141	M	98.6	Very high	98.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-35.4	179.2	-69.9	-51.7	-62.5	0	0	112.6	C56 E58 L137 S138 Q143 Q144 L145 F449	C56-M141 HydrophobicContact CB-CE 4.33Å; C56-M141 VanDerWaalsContact O-CE 3.28Å; C56-M141 WeakPolarHBondContact O-CE 3.4Å; E58-M141 HydrophobicContact CB-SD 4.48Å; E58-M141 HydrophobicContact CG-CG 3.81Å; E58-M141 HydrophobicContact CG-SD 3.92Å; E58-M141 PolarHBondContact N-SD 3.22Å; L137-M141 HydrophobicContact CB-CB 3.76Å; L137-M141 HydrophobicContact CD1-CB 4.26Å; L137-M141 HydrophobicContact CD2-CB 4.16Å; L137-M141 HydrophobicContact CG-CB 4.29Å; S138-M141 WeakPolarHBondContact O-CA 3.45Å; S138-M141 PolarHBondContact O-N 3.1Å; S138-M141 WeakPolarHBondContact OG-CG 3.4Å; S138-M141 PolarHBondContact OG-N 3.28Å; M141-Q143 VanDerWaalsContact C-N 3.34Å; M141-Q143 PolarHBondContact O-N 3.28Å; M141-Q144 PolarHBondContact O-N 3.24Å; M141-Q144 PolarHBondContact SD-OE1 3.01Å; M141-L145 WeakPolarHBondContact O-CB 3.5Å; M141-L145 PolarHBondContact O-N 2.82Å; M141-F449 HydrophobicContact CE-CD1 3.41Å; M141-F449 VanDerWaalsContact CE-CD1 3.41Å; M141-F449 HydrophobicContact CE-CE1 3.42Å; M141-F449 VanDerWaalsContact CE-CE1 3.42Å
142	Q	98.7	Very high	98.5	Very high	26 Å²	26	24.3 Å²	24.3	12%	0.121	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-47.6	170.4	-70.7	179.4	29.6	0	0	111.7	I134 L137 S138 L140 L145 L146	I134-Q142 HydrophobicContact CG2-CB 4.06Å; I134-Q142 HydrophobicContact CG2-CG 3.84Å; I134-Q142 WeakPolarHBondContact O-CG 3.45Å; L137-Q142 HydrophobicContact CB-CG 4.13Å; L137-Q142 PolarHBondContact O-NE2 3.08Å; S138-Q142 WeakPolarHBondContact O-CG 3.06Å; S138-Q142 PolarHBondContact O-N 3.12Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 3.43Å; Q142-L145 PolarHBondContact O-N 3.36Å; Q142-L146 PolarHBondContact O-N 2.86Å; Q142-L146 VanDerWaalsContact O-N 3.1Å
143	Q	98.5	Very high	98.3	Very high	42 Å²	42	23.9 Å²	23.9	20%	0.196	14%	0.144	C	C	.	.	H	α-helix	trans	-63.6	-46.6	177.3	-67.9	175.9	34.1	0	0	111.1	L29 P139 L140 M141 L145 L146 N147 Y204	L29-Q143 HydrophobicContact CD2-CG 3.69Å; P139-Q143 VanDerWaalsContact O-CG 3.31Å; P139-Q143 WeakPolarHBondContact O-CG 3.48Å; P139-Q143 PolarHBondContact O-N 2.82Å; L140-Q143 WeakPolarHBondContact O-CB 3.13Å; L140-Q143 PolarHBondContact O-N 3.14Å; M141-Q143 VanDerWaalsContact C-N 3.34Å; M141-Q143 PolarHBondContact O-N 3.28Å; Q143-L145 VanDerWaalsContact C-N 3.33Å; Q143-L145 PolarHBondContact O-N 2.58Å; Q143-L146 PolarHBondContact O-N 3.45Å; Q143-N147 WeakPolarHBondContact O-CB 3.2Å; Q143-N147 PolarHBondContact O-N 2.99Å; Q143-N147 PolarHBondContact O-ND2 3.37Å; Q143-N147 PolarHBondContact O-OD1 3.04Å; Q143-Y204 HydrophobicContact CB-CE1 4.37Å; Q143-Y204 WeakPolarHBondContact CB-OH 3.36Å; Q143-Y204 HydrophobicContact CG-CE1 4.36Å; Q143-Y204 HydrophobicContact CG-CE2 3.87Å; Q143-Y204 WeakPolarHBondContact CG-OH 2.87Å
144	Q	98.4	Very high	98.3	Very high	30 Å²	30	23.6 Å²	23.6	14%	0.14	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-40.1	178.8	-72.5	-176.4	-3	0	0	112.5	N57 L140 M141 S148 F449	N57-Q144 PolarHBondContact O-NE2 3.31Å; N57-Q144 PolarHBondContact O-OE1 2.77Å; N57-Q144 VanDerWaalsContact O-OE1 3.1Å; L140-Q144 HydrophobicContact CD1-CG 4.44Å; L140-Q144 WeakPolarHBondContact O-CG 3.18Å; L140-Q144 PolarHBondContact O-N 3.44Å; M141-Q144 PolarHBondContact O-N 3.24Å; M141-Q144 PolarHBondContact SD-OE1 3.01Å; Q144-S148 PolarHBondContact O-N 3.19Å; Q144-S148 PolarHBondContact O-OG 3.1Å; Q144-F449 HydrophobicContact CB-CE1 4.11Å; Q144-F449 HydrophobicContact CB-CZ 4.24Å
145	L	98.8	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-50.9	176.8	-172.3	159.4	0	0	0	110.8	I134 L137 M141 Q142 Q143 N147 S148 Y149 A422 I440 V442 F449	I134-L145 HydrophobicContact CD1-CD2 4.07Å; I134-L145 HydrophobicContact CG1-CD1 4.09Å; I134-L145 HydrophobicContact CG1-CD2 3.86Å; L137-L145 HydrophobicContact CD1-CD1 3.74Å; M141-L145 WeakPolarHBondContact O-CB 3.5Å; M141-L145 PolarHBondContact O-N 2.82Å; Q142-L145 PolarHBondContact O-N 3.36Å; Q143-L145 VanDerWaalsContact C-N 3.33Å; Q143-L145 PolarHBondContact O-N 2.58Å; L145-N147 PolarHBondContact O-N 2.93Å; L145-S148 VanDerWaalsContact O-CB 3.26Å; L145-S148 WeakPolarHBondContact O-CB 3.24Å; L145-S148 PolarHBondContact O-N 2.91Å; L145-Y149 HydrophobicContact CD2-CD2 4.22Å; L145-Y149 HydrophobicContact CD2-CE2 4.25Å; L145-Y149 PolarHBondContact O-N 3.41Å; L145-A422 HydrophobicContact CD1-CB 4.12Å; L145-I440 HydrophobicContact CD1-CG2 4Å; L145-I440 HydrophobicContact CG-CD1 4.33Å; L145-I440 HydrophobicContact CG-CG2 4.21Å; L145-V442 HydrophobicContact CD1-CG2 3.86Å; L145-F449 HydrophobicContact CB-CD1 4.16Å; L145-F449 HydrophobicContact CB-CE1 3.82Å; L145-F449 HydrophobicContact CB-CZ 4.08Å; L145-F449 HydrophobicContact CD1-CD1 4.35Å; L145-F449 HydrophobicContact CD1-CG 4.4Å
146	L	98.9	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.9	-33.9	179.4	-70.1	170.2	0	0	0	112.5	I134 Q142 Q143 S148 Y149 Y150 Y201 Y204 I208	I134-L146 HydrophobicContact CD1-CD2 4.09Å; Q142-L146 PolarHBondContact O-N 2.86Å; Q142-L146 VanDerWaalsContact O-N 3.1Å; Q143-L146 PolarHBondContact O-N 3.45Å; L146-S148 VanDerWaalsContact C-N 3.26Å; L146-S148 PolarHBondContact O-N 2.84Å; L146-Y149 PolarHBondContact O-N 2.82Å; L146-Y150 PolarHBondContact O-N 3.37Å; L146-Y201 HydrophobicContact CD1-CD1 3.78Å; L146-Y201 HydrophobicContact CD1-CG 4.28Å; L146-Y204 HydrophobicContact CB-CD1 3.58Å; L146-Y204 HydrophobicContact CB-CE1 3.69Å; L146-Y204 HydrophobicContact CD1-CD1 3.42Å; L146-Y204 VanDerWaalsContact CD1-CD1 3.42Å; L146-Y204 HydrophobicContact CD1-CE1 4.21Å; L146-Y204 HydrophobicContact CD1-CG 4.1Å; L146-Y204 HydrophobicContact CG-CD1 4.13Å; L146-I208 HydrophobicContact CB-CD1 4.38Å
147	N	98.4	Very high	98.2	Very high	43 Å²	43	21.5 Å²	21.5	23%	0.23	12%	0.119	C	C	.	.	H	α-helix	trans	-62.3	-35.6	172.2	-71.1	-4.2	0	0	0	111.5	Q143 L145 Y149 A151 Y204 I208	Q143-N147 WeakPolarHBondContact O-CB 3.2Å; Q143-N147 PolarHBondContact O-N 2.99Å; Q143-N147 PolarHBondContact O-ND2 3.37Å; Q143-N147 PolarHBondContact O-OD1 3.04Å; L145-N147 PolarHBondContact O-N 2.93Å; N147-Y149 VanDerWaalsContact C-N 3.26Å; N147-Y149 PolarHBondContact O-N 3.34Å; N147-A151 HydrophobicContact CB-CB 3.83Å; N147-A151 VanDerWaalsContact O-CB 3.29Å; N147-A151 WeakPolarHBondContact O-CB 3.33Å; N147-A151 PolarHBondContact O-N 2.81Å; N147-A151 VanDerWaalsContact O-N 3.07Å; N147-Y204 PolarHBondContact OD1-OH 3.34Å; N147-I208 WeakPolarHBondContact OD1-CD1 3.29Å
148	S	98.7	Very high	98.2	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-39	175.6	-59.8	0	0	0	0	111.3	Q144 L145 L146 G154 I155 K451 Y455	Q144-S148 PolarHBondContact O-N 3.19Å; Q144-S148 PolarHBondContact O-OG 3.1Å; L145-S148 VanDerWaalsContact O-CB 3.26Å; L145-S148 WeakPolarHBondContact O-CB 3.24Å; L145-S148 PolarHBondContact O-N 2.91Å; L146-S148 VanDerWaalsContact C-N 3.26Å; L146-S148 PolarHBondContact O-N 2.84Å; S148-G154 CarbonylContact O-C 3.12Å; S148-G154 WeakPolarHBondContact O-CA 3.36Å; S148-I155 PolarHBondContact O-N 3.15Å; S148-K451 WeakPolarHBondContact OG-CE 3.38Å; S148-K451 PolarHBondContact OG-NZ 3.4Å; S148-Y455 WeakPolarHBondContact CB-OH 3.41Å; S148-Y455 PolarHBondContact O-OH 3.12Å
149	Y	98.8	Very high	98.2	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-82	-47.8	177.4	-75.2	-63.5	0	0	0	113.9	L145 L146 N147 I155 E156 Y157 L421 I440 Y455	L145-Y149 HydrophobicContact CD2-CD2 4.22Å; L145-Y149 HydrophobicContact CD2-CE2 4.25Å; L145-Y149 PolarHBondContact O-N 3.41Å; L146-Y149 PolarHBondContact O-N 2.82Å; N147-Y149 VanDerWaalsContact C-N 3.26Å; N147-Y149 PolarHBondContact O-N 3.34Å; Y149-I155 HydrophobicContact CD1-CD1 3.91Å; Y149-I155 HydrophobicContact CD1-CG1 4.21Å; Y149-I155 HydrophobicContact CE1-CD1 4.15Å; Y149-E156 CarbonylContact O-C 3.5Å; Y149-E156 WeakPolarHBondContact O-CA 3.4Å; Y149-E156 PolarHBondContact O-N 3.5Å; Y149-Y157 HydrophobicContact CD1-CD1 4.44Å; Y149-Y157 AromaticContact CD1-CD2 3.52Å; Y149-Y157 HydrophobicContact CD1-CD2 3.52Å; Y149-Y157 HydrophobicContact CD1-CE1 4.25Å; Y149-Y157 AromaticContact CD1-CE2 3.26Å; Y149-Y157 HydrophobicContact CD1-CE2 3.26Å; Y149-Y157 HydrophobicContact CD1-CG 4.14Å; Y149-Y157 AromaticContact CD1-CZ 3.69Å; Y149-Y157 HydrophobicContact CE1-CD2 4.3Å; Y149-Y157 AromaticContact CE1-CE2 3.58Å; Y149-Y157 HydrophobicContact CE1-CE2 3.58Å; Y149-Y157 AromaticContact CE1-CZ 3.81Å; Y149-Y157 HydrophobicContact CG-CD2 4.06Å; Y149-Y157 HydrophobicContact CG-CE2 4.16Å; Y149-Y157 PolarHBondContact O-N 3.29Å; Y149-L421 HydrophobicContact CD1-CD2 4.2Å; Y149-L421 HydrophobicContact CD2-CD2 3.9Å; Y149-L421 HydrophobicContact CE1-CD2 4.35Å; Y149-L421 HydrophobicContact CE2-CB 4.23Å; Y149-L421 HydrophobicContact CE2-CD2 4.03Å; Y149-L421 WeakPolarHBondContact CE2-O 3.48Å; Y149-L421 HydrophobicContact CG-CD2 3.97Å; Y149-L421 PolarHBondContact OH-O 3.35Å; Y149-I440 HydrophobicContact CD2-CD1 4.13Å; Y149-I440 HydrophobicContact CE2-CB 4.27Å; Y149-I440 HydrophobicContact CE2-CD1 3.44Å; Y149-I440 VanDerWaalsContact CE2-CD1 3.44Å; Y149-I440 HydrophobicContact CE2-CG1 3.97Å; Y149-I440 WeakPolarHBondContact OH-CG1 3.41Å; Y149-I440 PolarHBondContact OH-N 3.3Å; Y149-Y455 HydrophobicContact CD1-CD2 4.38Å; Y149-Y455 HydrophobicContact CD1-CE2 4.27Å; Y149-Y455 AromaticContact CE1-CD2 3.85Å; Y149-Y455 HydrophobicContact CE1-CD2 3.85Å; Y149-Y455 HydrophobicContact CE1-CE2 4.19Å
150	Y	98.7	Very high	98.3	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.008	9%	0.087	C	C	.	.	H	α-helix	trans	-112.2	-20.5	-161.8	-68.1	-80.2	0	0	0	114.9	F126 L146 Y157 M159 A205 A209 I213 L421	F126-Y150 HydrophobicContact CE1-CE2 4.49Å; F126-Y150 WeakPolarHBondContact CE2-OH 3.49Å; F126-Y150 AromaticContact CZ-CE2 3.87Å; F126-Y150 HydrophobicContact CZ-CE2 3.87Å; F126-Y150 AromaticContact CZ-CZ 3.73Å; F126-Y150 VanDerWaalsContact CZ-OH 3.31Å; F126-Y150 WeakPolarHBondContact CZ-OH 3.27Å; L146-Y150 PolarHBondContact O-N 3.37Å; Y150-Y157 VanDerWaalsContact CD1-O 3.24Å; Y150-Y157 WeakPolarHBondContact CD1-O 3.33Å; Y150-Y157 VanDerWaalsContact CE1-CB 3.44Å; Y150-M159 PolarHBondContact OH-O 2.86Å; Y150-A205 HydrophobicContact CD1-CB 4.14Å; Y150-A205 HydrophobicContact CD2-CB 3.52Å; Y150-A205 HydrophobicContact CE1-CB 4.41Å; Y150-A205 HydrophobicContact CE2-CB 3.82Å; Y150-A205 HydrophobicContact CG-CB 3.71Å; Y150-A209 WeakPolarHBondContact O-CA 3.33Å; Y150-I213 HydrophobicContact CD1-CD1 3.42Å; Y150-I213 VanDerWaalsContact CD1-CD1 3.42Å; Y150-I213 HydrophobicContact CD1-CG1 3.97Å; Y150-I213 HydrophobicContact CE1-CD1 3.57Å; Y150-I213 HydrophobicContact CE1-CG1 4.06Å; Y150-I213 HydrophobicContact CE1-CG2 4.18Å; Y150-I213 HydrophobicContact CG-CD1 4.22Å; Y150-L421 HydrophobicContact CE2-CD1 4.33Å; Y150-L421 HydrophobicContact CE2-CD2 4.34Å
151	A	97.6	Very high	98.3	Very high	3 Å²	3	12.8 Å²	12.8	3%	0.025	7%	0.067	C	C	.	.	S	Bend	trans	-81	161.4	-178.4	0	0	0	0	0	111.9	N147 T153 G154 E156 I208	N147-A151 HydrophobicContact CB-CB 3.83Å; N147-A151 VanDerWaalsContact O-CB 3.29Å; N147-A151 WeakPolarHBondContact O-CB 3.33Å; N147-A151 PolarHBondContact O-N 2.81Å; N147-A151 VanDerWaalsContact O-N 3.07Å; A151-T153 PolarHBondContact O-N 3.38Å; A151-G154 WeakPolarHBondContact O-CA 3.05Å; A151-G154 PolarHBondContact O-N 3.42Å; A151-E156 WeakPolarHBondContact O-CG 3.46Å; A151-I208 HydrophobicContact CB-CB 4.41Å; A151-I208 HydrophobicContact CB-CD1 4.21Å
152	P	96.1	Very high	98.3	Very high	21 Å²	21	12.8 Å²	12.8	14%	0.136	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.9	175.9	-27.1	37.8	0	0	0	114.5	L34 G154 Q210 K463	L34-P152 HydrophobicContact CD2-CG 4.33Å; P152-G154 PolarHBondContact O-N 2.73Å; P152-Q210 HydrophobicContact CG-CG 3.68Å; P152-K463 PolarHBondContact O-NZ 2.84Å
153	T	95.9	Very high	98.3	Very high	42 Å²	42	11.5 Å²	11.5	26%	0.258	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-7.1	174	53.1	0	0	0	0	113	T63 V64 A151	T63-T153 WeakPolarHBondContact CA-O 3.42Å; V64-T153 PolarHBondContact N-O 3.22Å; A151-T153 PolarHBondContact O-N 3.38Å
154	G	97.9	Very high	98.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-152.3	178.6	0	0	0	0	0	112.8	S148 A151 P152 K463	S148-G154 CarbonylContact O-C 3.12Å; S148-G154 WeakPolarHBondContact O-CA 3.36Å; A151-G154 WeakPolarHBondContact O-CA 3.05Å; A151-G154 PolarHBondContact O-N 3.42Å; P152-G154 PolarHBondContact O-N 2.73Å; G154-K463 PolarHBondContact O-NZ 3.31Å
155	I	98.3	Very high	98.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	3.4	-178.9	62.9	172.8	0	0	0	114.6	V64 L87 S148 Y149 Y157 Y455 L458 G459 S462 K463	V64-I155 HydrophobicContact CG2-CG2 4.17Å; L87-I155 HydrophobicContact CD1-CG2 3.99Å; S148-I155 PolarHBondContact O-N 3.15Å; Y149-I155 HydrophobicContact CD1-CD1 3.91Å; Y149-I155 HydrophobicContact CD1-CG1 4.21Å; Y149-I155 HydrophobicContact CE1-CD1 4.15Å; I155-Y157 HydrophobicContact CD1-CD1 3.84Å; I155-Y157 HydrophobicContact CD1-CE1 3.31Å; I155-Y157 HydrophobicContact CG1-CD1 3.88Å; I155-Y157 HydrophobicContact CG1-CE1 3.9Å; I155-Y157 PolarHBondContact O-N 3.19Å; I155-Y455 HydrophobicContact CD1-CD2 3.81Å; I155-Y455 HydrophobicContact CD1-CE2 3.7Å; I155-Y455 HydrophobicContact CD1-CG 4.49Å; I155-Y455 HydrophobicContact CG1-CD2 4.5Å; I155-Y455 HydrophobicContact CG1-CE2 3.88Å; I155-Y455 HydrophobicContact CG2-CE1 3.9Å; I155-Y455 HydrophobicContact CG2-CE2 4.17Å; I155-L458 HydrophobicContact CD1-CB 4.11Å; I155-G459 VanDerWaalsContact CG2-CA 3.47Å; I155-S462 CarbonylContact O-C 3.57Å; I155-S462 VanDerWaalsContact O-CB 3.28Å; I155-S462 WeakPolarHBondContact O-CB 3.33Å; I155-S462 PolarHBondContact O-OG 3.43Å; I155-K463 WeakPolarHBondContact O-CA 3.43Å; I155-K463 PolarHBondContact O-N 3.25Å; I155-K463 VanDerWaalsContact O-N 3.12Å
156	E	98.1	Very high	98.4	Very high	44 Å²	44	8.2 Å²	8.2	21%	0.206	5%	0.046	C	C	.	.			trans	54.3	50.9	169.9	-59.1	-177.9	80.7	0	0	114.6	Y149 A151 T158 K463	Y149-E156 CarbonylContact O-C 3.5Å; Y149-E156 WeakPolarHBondContact O-CA 3.4Å; Y149-E156 PolarHBondContact O-N 3.5Å; A151-E156 WeakPolarHBondContact O-CG 3.46Å; E156-T158 PolarHBondContact O-N 3.32Å; E156-K463 HydrophobicContact CB-CG 4.49Å; E156-K463 HydrophobicContact CG-CG 4.35Å; E156-K463 WeakPolarHBondContact OE2-CE 3.37Å; E156-K463 VanDerWaalsContact OE2-CG 3.25Å; E156-K463 WeakPolarHBondContact OE2-CG 3.46Å; E156-K463 IonicContact OE2-NZ 3.54Å; E156-K463 PolarHBondContact OE2-NZ 3.44Å
157	Y	98.8	Very high	98.4	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.008	5%	0.046	C	C	.	.			trans	-51.7	136.2	168	-83.3	8.5	0	0	0	111.5	G123 Y149 Y150 I155 L421 L458	G123-Y157 VanDerWaalsContact CA-CD2 3.47Å; G123-Y157 WeakPolarHBondContact O-CE2 3.33Å; Y149-Y157 HydrophobicContact CD1-CD1 4.44Å; Y149-Y157 AromaticContact CD1-CD2 3.52Å; Y149-Y157 HydrophobicContact CD1-CD2 3.52Å; Y149-Y157 HydrophobicContact CD1-CE1 4.25Å; Y149-Y157 AromaticContact CD1-CE2 3.26Å; Y149-Y157 HydrophobicContact CD1-CE2 3.26Å; Y149-Y157 HydrophobicContact CD1-CG 4.14Å; Y149-Y157 AromaticContact CD1-CZ 3.69Å; Y149-Y157 HydrophobicContact CE1-CD2 4.3Å; Y149-Y157 AromaticContact CE1-CE2 3.58Å; Y149-Y157 HydrophobicContact CE1-CE2 3.58Å; Y149-Y157 AromaticContact CE1-CZ 3.81Å; Y149-Y157 HydrophobicContact CG-CD2 4.06Å; Y149-Y157 HydrophobicContact CG-CE2 4.16Å; Y149-Y157 PolarHBondContact O-N 3.29Å; Y150-Y157 VanDerWaalsContact CD1-O 3.24Å; Y150-Y157 WeakPolarHBondContact CD1-O 3.33Å; Y150-Y157 VanDerWaalsContact CE1-CB 3.44Å; I155-Y157 HydrophobicContact CD1-CD1 3.84Å; I155-Y157 HydrophobicContact CD1-CE1 3.31Å; I155-Y157 HydrophobicContact CG1-CD1 3.88Å; I155-Y157 HydrophobicContact CG1-CE1 3.9Å; I155-Y157 PolarHBondContact O-N 3.19Å; Y157-L421 HydrophobicContact CD2-CD2 4.01Å; Y157-L421 HydrophobicContact CE2-CD2 3.93Å; Y157-L458 HydrophobicContact CE1-CB 4.33Å; Y157-L458 WeakPolarHBondContact OH-CD1 3.46Å
158	T	98.8	Very high	98.3	Very high	6 Å²	6	6.3 Å²	6.3	4%	0.037	4%	0.036	C	C	.	.			trans	-123.4	2.7	-178.7	49.2	0	0	0	0	112.5	G121 F122 E156 I211 I213 K214 P467	G121-T158 WeakPolarHBondContact CA-OG1 3.47Å; F122-T158 PolarHBondContact O-N 2.82Å; E156-T158 PolarHBondContact O-N 3.32Å; T158-I211 HydrophobicContact CG2-CB 3.92Å; T158-I211 HydrophobicContact CG2-CD1 4.35Å; T158-I211 HydrophobicContact CG2-CG2 4.05Å; T158-I213 WeakPolarHBondContact O-CA 3.48Å; T158-K214 PolarHBondContact O-N 3.37Å; T158-P467 HydrophobicContact CG2-CG 3.91Å
159	M	98.9	Very high	98.3	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	159	172.7	-62.2	-173.3	68.9	0	0	111.2	V120 F122 G123 Y150 K214 F216 W269 I374 V417	V120-M159 HydrophobicContact CG1-CE 4.21Å; V120-M159 HydrophobicContact CG1-SD 3.96Å; F122-M159 PolarHBondContact O-N 2.89Å; G123-M159 VanDerWaalsContact CA-O 3.27Å; G123-M159 WeakPolarHBondContact CA-O 3.42Å; Y150-M159 PolarHBondContact OH-O 2.86Å; M159-K214 VanDerWaalsContact CA-O 3.29Å; M159-K214 WeakPolarHBondContact CA-O 3.33Å; M159-K214 HydrophobicContact CG-CB 4.31Å; M159-F216 HydrophobicContact CE-CD1 4Å; M159-F216 HydrophobicContact CE-CE1 4.07Å; M159-W269 HydrophobicContact CE-CH2 4.43Å; M159-W269 HydrophobicContact CE-CZ3 3.81Å; M159-I374 HydrophobicContact CE-CD1 4.38Å; M159-I374 HydrophobicContact CE-CG2 4.35Å; M159-V417 HydrophobicContact CB-CG2 4.13Å; M159-V417 HydrophobicContact CE-CG2 4.44Å; M159-V417 HydrophobicContact SD-CG2 4.47Å
160	G	98.9	Very high	98.3	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	140.4	168.6	0	0	0	0	0	111.1	G124 K214 L215 F216	G124-G160 VanDerWaalsContact O-CA 3.32Å; G124-G160 WeakPolarHBondContact O-CA 3.49Å; G160-K214 PolarHBondContact N-O 3.07Å; G160-K214 VanDerWaalsContact N-O 3.1Å; G160-L215 CarbonylContact O-C 3.17Å; G160-L215 VanDerWaalsContact O-CA 3.31Å; G160-L215 WeakPolarHBondContact O-CA 3.08Å; G160-F216 PolarHBondContact O-N 3.25Å
161	R	98.9	Very high	98.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.5	174.3	-176.2	173.9	-172.6	-155.8	-1	110.6	G124 A125 F126 F216 S218 W220 N275 D320 T376 E377 V417 W419	G124-R161 PolarHBondContact O-N 2.91Å; G124-R161 VanDerWaalsContact O-N 3.11Å; A125-R161 CarbonylContact C-O 3.57Å; A125-R161 VanDerWaalsContact CA-O 3.28Å; A125-R161 WeakPolarHBondContact CA-O 3.49Å; A125-R161 HydrophobicContact CB-CB 3.73Å; A125-R161 HydrophobicContact CB-CG 4.27Å; F126-R161 PolarHBondContact N-O 2.86Å; R161-F216 CarbonylContact C-O 3.57Å; R161-F216 VanDerWaalsContact CA-O 3.3Å; R161-F216 WeakPolarHBondContact CA-O 3.49Å; R161-F216 HydrophobicContact CB-CD1 4.42Å; R161-F216 HydrophobicContact CB-CD2 4.5Å; R161-F216 HydrophobicContact CB-CE1 3.79Å; R161-F216 HydrophobicContact CB-CE2 3.89Å; R161-F216 HydrophobicContact CB-CZ 3.5Å; R161-F216 VanDerWaalsContact CD-CE2 3.49Å; R161-F216 HydrophobicContact CG-CD2 4.08Å; R161-F216 HydrophobicContact CG-CE1 4.31Å; R161-F216 HydrophobicContact CG-CE2 3.46Å; R161-F216 VanDerWaalsContact CG-CE2 3.46Å; R161-F216 HydrophobicContact CG-CZ 3.61Å; R161-S218 PolarHBondContact NH2-OG 3.08Å; R161-W220 VanDerWaalsContact CZ-CH2 3.44Å; R161-N275 PolarHBondContact NH2-OD1 3.46Å; R161-D320 IonicContact NH2-OD1 3.68Å; R161-D320 IonicContact NH2-OD2 3.57Å; R161-D320 PolarHBondContact NH2-OD2 3.21Å; R161-T376 VanDerWaalsContact CD-O 3.31Å; R161-T376 WeakPolarHBondContact CD-O 3.32Å; R161-T376 PolarHBondContact NH1-O 3.28Å; R161-T376 VanDerWaalsContact NH1-O 3.1Å; R161-E377 IonicContact CZ-OE2 2.68Å; R161-E377 VanDerWaalsContact NH1-CB 3.29Å; R161-E377 VanDerWaalsContact NH1-CG 3.32Å; R161-E377 IonicContact NH1-OE2 2.64Å; R161-E377 PolarHBondContact NH1-OE2 3.2Å; R161-E377 IonicContact NH2-OE2 3.62Å; R161-E377 PolarHBondContact NH2-OE2 3.32Å; R161-V417 HydrophobicContact CB-CG1 4.01Å; R161-W419 VanDerWaalsContact NH1-CE3 3.31Å; R161-W419 VanDerWaalsContact NH1-CZ3 3.32Å
162	I	98.9	Very high	98.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	114.9	179.5	-53.5	173.6	0	0	0	108.8	M164 K198 I202 L215 F216 A217 S218 F257 Y261 I268	I162-M164 PolarHBondContact O-N 3.24Å; I162-K198 HydrophobicContact CG2-CD 4.12Å; I162-I202 HydrophobicContact CD1-CD1 3.6Å; I162-I202 HydrophobicContact CG1-CD1 4Å; I162-L215 HydrophobicContact CD1-CB 4.09Å; I162-L215 HydrophobicContact CD1-CD1 4.3Å; I162-L215 HydrophobicContact CD1-CD2 4.25Å; I162-L215 HydrophobicContact CD1-CG 4.44Å; I162-F216 PolarHBondContact N-O 2.66Å; I162-A217 HydrophobicContact CB-CB 4.35Å; I162-A217 WeakPolarHBondContact O-CA 3.49Å; I162-A217 WeakPolarHBondContact O-CB 2.97Å; I162-S218 PolarHBondContact O-N 2.95Å; I162-S218 VanDerWaalsContact O-N 3.09Å; I162-F257 HydrophobicContact CG2-CZ 4.24Å; I162-Y261 HydrophobicContact CD1-CD1 4.31Å; I162-Y261 HydrophobicContact CD1-CE1 3.94Å; I162-Y261 HydrophobicContact CG2-CE1 4.24Å; I162-I268 HydrophobicContact CD1-CD1 4.02Å
163	P	98.9	Very high	98.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	125.5	167.9	-23.7	35.2	0	0	0	110.5	F126 T127 A165 C167 K198 S218 W220 W419	F126-P163 WeakPolarHBondContact O-CD 3.19Å; T127-P163 HydrophobicContact CG2-CG 4.05Å; P163-A165 PolarHBondContact O-N 3.07Å; P163-C167 HydrophobicContact CB-CB 4.1Å; P163-C167 HydrophobicContact CG-CB 4.42Å; P163-K198 PolarHBondContact O-NZ 3.46Å; P163-S218 WeakPolarHBondContact CA-O 3.4Å; P163-W220 HydrophobicContact CB-CE3 4.25Å; P163-W220 HydrophobicContact CB-CZ3 4.06Å; P163-W220 HydrophobicContact CG-CZ3 4.3Å; P163-W419 HydrophobicContact CG-CH2 4.12Å
164	M	98.8	Very high	98.5	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	108.3	169.8	-64.4	172.7	58.2	0	0	108.2	I162 Y176 A217 S218 P219 Y253 F254 F257	I162-M164 PolarHBondContact O-N 3.24Å; M164-Y176 HydrophobicContact CB-CE2 4.4Å; M164-A217 HydrophobicContact CG-CB 3.68Å; M164-A217 HydrophobicContact SD-CB 4.05Å; M164-S218 PolarHBondContact N-O 2.91Å; M164-P219 HydrophobicContact CB-CB 4.01Å; M164-P219 HydrophobicContact SD-CB 4.33Å; M164-P219 HydrophobicContact SD-CG 4.28Å; M164-Y253 HydrophobicContact CE-CD1 4.18Å; M164-Y253 HydrophobicContact CE-CE1 4.25Å; M164-F254 HydrophobicContact CE-CB 4.44Å; M164-F254 HydrophobicContact CE-CD1 3.78Å; M164-F254 HydrophobicContact CE-CD2 4.06Å; M164-F254 HydrophobicContact CE-CE1 4.04Å; M164-F254 HydrophobicContact CE-CE2 4.31Å; M164-F254 HydrophobicContact CE-CG 3.82Å; M164-F254 HydrophobicContact CE-CZ 4.33Å; M164-F254 HydrophobicContact SD-CD1 3.92Å; M164-F254 HydrophobicContact SD-CE1 3.77Å; M164-F254 HydrophobicContact SD-CZ 4.31Å; M164-F257 HydrophobicContact CE-CB 3.97Å; M164-F257 HydrophobicContact CE-CD1 4.03Å; M164-F257 HydrophobicContact CE-CG 3.98Å; M164-F257 HydrophobicContact CG-CD1 3.98Å; M164-F257 HydrophobicContact CG-CD2 4.24Å; M164-F257 HydrophobicContact CG-CE1 3.86Å; M164-F257 HydrophobicContact CG-CE2 4.06Å; M164-F257 HydrophobicContact CG-CG 4.17Å; M164-F257 HydrophobicContact CG-CZ 3.88Å; M164-F257 HydrophobicContact SD-CD1 4.11Å; M164-F257 HydrophobicContact SD-CE1 4.36Å
165	A	98.7	Very high	98.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	65.2	-145	-169.1	0	0	0	0	0	112.4	P163 Y174 Y176 K198	P163-A165 PolarHBondContact O-N 3.07Å; A165-Y174 VanDerWaalsContact C-CE2 3.47Å; A165-Y174 VanDerWaalsContact CA-CE2 3.49Å; A165-Y174 HydrophobicContact CB-CD2 4Å; A165-Y174 HydrophobicContact CB-CE2 3.92Å; A165-Y174 WeakPolarHBondContact CB-O 2.84Å; A165-Y174 PolarHBondContact O-OH 3Å; A165-Y176 HydrophobicContact CB-CD1 4.15Å; A165-Y176 HydrophobicContact CB-CD2 4.43Å; A165-Y176 HydrophobicContact CB-CE1 3.84Å; A165-Y176 HydrophobicContact CB-CE2 4.16Å; A165-Y176 HydrophobicContact CB-CG 4.43Å; A165-Y176 PolarHBondContact N-OH 3.03Å; A165-K198 PolarHBondContact O-NZ 3.35Å; A165-K198 VanDerWaalsContact O-NZ 3.08Å
166	S	98.6	Very high	98.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	8%	0.075	C	C	.	.			trans	-75.8	147.2	-178.7	61.4	0	0	0	0	113.2	S170 R172 Y174 Q288	S166-S170 VanDerWaalsContact CA-OG 3.29Å; S166-S170 WeakPolarHBondContact CA-OG 3.25Å; S166-S170 WeakPolarHBondContact CB-OG 3.29Å; S166-R172 WeakPolarHBondContact CB-O 3.18Å; S166-Y174 VanDerWaalsContact CB-CD1 3.49Å; S166-Y174 WeakPolarHBondContact CB-O 3.48Å; S166-Y174 PolarHBondContact N-O 3.48Å; S166-Y174 PolarHBondContact OG-N 3.17Å; S166-Y174 PolarHBondContact OG-O 2.9Å; S166-Q288 PolarHBondContact OG-NE2 3.2Å
167	C	98.7	Very high	98.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.			trans	-123.8	-172.9	164.8	62.5	0	0	0	0	110	P163 F169 S170 W220 Q288 W419 W431	P163-C167 HydrophobicContact CB-CB 4.1Å; P163-C167 HydrophobicContact CG-CB 4.42Å; C167-F169 PolarHBondContact O-N 2.93Å; C167-S170 PolarHBondContact N-OG 2.78Å; C167-S170 VanDerWaalsContact O-CB 3.28Å; C167-S170 WeakPolarHBondContact O-CB 3.37Å; C167-S170 PolarHBondContact O-N 2.65Å; C167-S170 VanDerWaalsContact O-N 3.12Å; C167-S170 PolarHBondContact O-OG 3.34Å; C167-W220 HydrophobicContact CB-CD2 3.46Å; C167-W220 VanDerWaalsContact CB-CD2 3.46Å; C167-W220 HydrophobicContact CB-CE3 3.77Å; C167-W220 HydrophobicContact CB-CG 3.8Å; C167-W220 HydrophobicContact CB-CZ2 4.26Å; C167-W220 HydrophobicContact CB-CZ3 4.31Å; C167-Q288 PolarHBondContact O-NE2 3.21Å; C167-Q288 PolarHBondContact O-OE1 2.87Å; C167-W419 HydrophobicContact CB-CH2 4.41Å; C167-W419 HydrophobicContact CB-CZ2 4.43Å; C167-W431 PolarHBondContact O-NE1 3.23Å
168	D	98	Very high	98.5	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.021	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.4	174.1	64.8	-39	0	0	0	112.2	S170 F287 N430 W431 V432 N434	D168-S170 PolarHBondContact O-N 3.48Å; D168-S170 VanDerWaalsContact O-N 3.15Å; D168-F287 HydrophobicContact CB-CB 3.96Å; D168-F287 HydrophobicContact CB-CD1 4.14Å; D168-F287 HydrophobicContact CB-CD2 3.67Å; D168-F287 HydrophobicContact CB-CE2 4.09Å; D168-F287 HydrophobicContact CB-CG 3.67Å; D168-F287 HydrophobicContact CB-CZ 4.49Å; D168-N430 VanDerWaalsContact O-CA 3.32Å; D168-N430 WeakPolarHBondContact O-CA 3.3Å; D168-N430 PolarHBondContact O-ND2 2.94Å; D168-N430 VanDerWaalsContact O-ND2 3.07Å; D168-N430 PolarHBondContact O-OD1 3.02Å; D168-N430 PolarHBondContact OD2-ND2 3.32Å; D168-W431 VanDerWaalsContact O-CD1 3.31Å; D168-W431 PolarHBondContact O-N 3.42Å; D168-V432 HydrophobicContact CB-CG2 4.46Å; D168-N434 PolarHBondContact OD2-ND2 3.33Å
169	F	98.7	Very high	98.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	21.3	171.4	-75.4	-90.4	0	0	0	114.7	T127 A129 C167 W419 L423 G427 N430 N434 V436	T127-F169 HydrophobicContact CG2-CB 4.17Å; A129-F169 HydrophobicContact CB-CB 3.89Å; A129-F169 HydrophobicContact CB-CD1 3.83Å; A129-F169 HydrophobicContact CB-CG 4.35Å; A129-F169 WeakPolarHBondContact CB-O 3.11Å; A129-F169 PolarHBondContact N-O 2.81Å; C167-F169 PolarHBondContact O-N 2.93Å; F169-W419 AromaticContact CD2-CE2 3.77Å; F169-W419 AromaticContact CD2-CZ2 3.96Å; F169-W419 HydrophobicContact CD2-CZ2 3.96Å; F169-W419 AromaticContact CD2-NE1 3.18Å; F169-W419 AromaticContact CE2-CD1 3.69Å; F169-W419 AromaticContact CE2-NE1 3.16Å; F169-L423 HydrophobicContact CD1-CD2 3.59Å; F169-L423 HydrophobicContact CE1-CD1 3.87Å; F169-L423 HydrophobicContact CE1-CD2 3.63Å; F169-L423 HydrophobicContact CE1-CG 4.44Å; F169-G427 WeakPolarHBondContact CE1-O 3.16Å; F169-N430 HydrophobicContact CD1-CB 4.48Å; F169-N430 HydrophobicContact CE1-CB 4.47Å; F169-N430 WeakPolarHBondContact CE2-ND2 3.15Å; F169-N434 WeakPolarHBondContact CZ-O 3.43Å; F169-V436 HydrophobicContact CE1-CG2 3.9Å; F169-V436 HydrophobicContact CE2-CG2 4.12Å; F169-V436 HydrophobicContact CZ-CB 4.19Å; F169-V436 HydrophobicContact CZ-CG1 4.07Å; F169-V436 HydrophobicContact CZ-CG2 3.28Å
170	S	98.7	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-94.4	165.4	164.1	-61.2	0	0	0	0	111.2	D128 S166 C167 D168 R172 W431	D128-S170 VanDerWaalsContact OD2-CB 3.24Å; D128-S170 WeakPolarHBondContact OD2-CB 3.17Å; D128-S170 PolarHBondContact OD2-OG 3.32Å; S166-S170 VanDerWaalsContact CA-OG 3.29Å; S166-S170 WeakPolarHBondContact CA-OG 3.25Å; S166-S170 WeakPolarHBondContact CB-OG 3.29Å; C167-S170 PolarHBondContact N-OG 2.78Å; C167-S170 VanDerWaalsContact O-CB 3.28Å; C167-S170 WeakPolarHBondContact O-CB 3.37Å; C167-S170 PolarHBondContact O-N 2.65Å; C167-S170 VanDerWaalsContact O-N 3.12Å; C167-S170 PolarHBondContact O-OG 3.34Å; D168-S170 PolarHBondContact O-N 3.48Å; D168-S170 VanDerWaalsContact O-N 3.15Å; S170-R172 WeakPolarHBondContact CB-O 3.33Å; S170-W431 VanDerWaalsContact O-CB 3.31Å; S170-W431 WeakPolarHBondContact O-CB 3.4Å; S170-W431 PolarHBondContact O-N 2.84Å
171	T	98.1	Very high	98.3	Very high	76 Å²	76	28.9 Å²	28.9	47%	0.466	16%	0.16	S	C	.	.	S	Bend	trans	-90.1	-10.8	174.5	53.2	0	0	0	0	113.3	I132 P429	I132-T171 HydrophobicContact CD1-CG2 3.54Å; T171-P429 HydrophobicContact CG2-CB 4.01Å; T171-P429 HydrophobicContact CG2-CG 3.98Å
172	R	97.8	Very high	98.3	Very high	116 Å²	116	29.6 Å²	29.6	44%	0.438	16%	0.164	S	C	.	.	S	Bend	trans	-156.2	166.3	176.9	67.7	-178	-177.3	95	7.2	110.7	S166 S170 Y174 E193	S166-R172 WeakPolarHBondContact CB-O 3.18Å; S170-R172 WeakPolarHBondContact CB-O 3.33Å; R172-Y174 HydrophobicContact CG-CD1 4.17Å; R172-E193 IonicContact CZ-OE1 3.24Å; R172-E193 VanDerWaalsContact CZ-OE1 3.24Å; R172-E193 IonicContact CZ-OE2 3.31Å; R172-E193 IonicContact NE-OE1 2.77Å; R172-E193 PolarHBondContact NE-OE1 3Å; R172-E193 VanDerWaalsContact NH2-CD 3.31Å; R172-E193 IonicContact NH2-OE1 2.91Å; R172-E193 PolarHBondContact NH2-OE1 3.25Å; R172-E193 IonicContact NH2-OE2 2.72Å; R172-E193 PolarHBondContact NH2-OE2 3.16Å
173	L	98	Very high	98.3	Very high	57 Å²	57	32.6 Å²	32.6	30%	0.298	18%	0.177	S	C	.	.			trans	-76.2	134.4	166.4	-64.7	176.3	0	0	0	110.4	Y233 Q288 W431	L173-Y233 HydrophobicContact CD1-CD1 3.6Å; L173-Y233 HydrophobicContact CD1-CE1 3.87Å; L173-Q288 HydrophobicContact CD2-CG 3.41Å; L173-Q288 VanDerWaalsContact CD2-CG 3.41Å; L173-W431 HydrophobicContact CD1-CH2 4.06Å; L173-W431 HydrophobicContact CD1-CZ2 4.34Å; L173-W431 HydrophobicContact CD1-CZ3 4.44Å; L173-W431 HydrophobicContact CD2-CD2 4.46Å; L173-W431 HydrophobicContact CD2-CH2 3.96Å; L173-W431 HydrophobicContact CD2-CZ2 3.38Å; L173-W431 HydrophobicContact CG-CH2 4.13Å; L173-W431 HydrophobicContact CG-CZ2 3.99Å; L173-W431 HydrophobicContact CG-CZ3 4.45Å
174	Y	98.3	Very high	98.2	Very high	3 Å²	3	39 Å²	39	1%	0.012	21%	0.212	C	C	.	.			trans	-158.5	151.7	167.8	66.8	-91.4	0	0	0	111.1	D128 A165 S166 R172 Y176 A191 E193 K198 M232	D128-Y174 PolarHBondContact OD1-OH 2.91Å; D128-Y174 VanDerWaalsContact OD1-OH 3.14Å; D128-Y174 VanDerWaalsContact OD2-CE1 3.27Å; D128-Y174 WeakPolarHBondContact OD2-CE1 3.47Å; D128-Y174 PolarHBondContact OD2-OH 3.02Å; A165-Y174 VanDerWaalsContact C-CE2 3.47Å; A165-Y174 VanDerWaalsContact CA-CE2 3.49Å; A165-Y174 HydrophobicContact CB-CD2 4Å; A165-Y174 HydrophobicContact CB-CE2 3.92Å; A165-Y174 WeakPolarHBondContact CB-O 2.84Å; A165-Y174 PolarHBondContact O-OH 3Å; S166-Y174 VanDerWaalsContact CB-CD1 3.49Å; S166-Y174 WeakPolarHBondContact CB-O 3.48Å; S166-Y174 PolarHBondContact N-O 3.48Å; S166-Y174 PolarHBondContact OG-N 3.17Å; S166-Y174 PolarHBondContact OG-O 2.9Å; R172-Y174 HydrophobicContact CG-CD1 4.17Å; Y174-Y176 HydrophobicContact CE2-CE1 4.27Å; Y174-A191 HydrophobicContact CD2-CB 3.42Å; Y174-A191 VanDerWaalsContact CD2-CB 3.42Å; Y174-A191 HydrophobicContact CE2-CB 3.31Å; Y174-A191 HydrophobicContact CG-CB 4.32Å; Y174-E193 HydrophobicContact CE1-CB 4.11Å; Y174-E193 HydrophobicContact CE1-CG 3.79Å; Y174-E193 WeakPolarHBondContact OH-CB 3.44Å; Y174-K198 PolarHBondContact OH-NZ 2.92Å; Y174-M232 WeakPolarHBondContact O-CE 3.46Å
175	S	98.7	Very high	98.2	Very high	8 Å²	8	39.2 Å²	39.2	6%	0.056	21%	0.212	C	C	.	.			trans	-117	-173.8	163.3	84.8	0	0	0	0	110.4	D177 D178 P223	S175-D177 VanDerWaalsContact OG-C 3.29Å; S175-D177 PolarHBondContact OG-N 3.25Å; S175-D177 VanDerWaalsContact OG-N 3.1Å; S175-D177 PolarHBondContact OG-O 2.97Å; S175-D178 WeakPolarHBondContact CB-OD1 3.49Å; S175-D178 PolarHBondContact N-OD2 3.02Å; S175-D178 PolarHBondContact OG-OD1 3.43Å; S175-P223 WeakPolarHBondContact OG-CG 3.35Å
176	Y	98.8	Very high	98.2	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.016	24%	0.241	C	C	.	.	S	Bend	trans	-92.8	-6.6	171.8	-55.2	-40.3	0	0	0	112.7	M164 A165 Y174 F188 Q189 L190 A191 D194 Y253 F257	M164-Y176 HydrophobicContact CB-CE2 4.4Å; A165-Y176 HydrophobicContact CB-CD1 4.15Å; A165-Y176 HydrophobicContact CB-CD2 4.43Å; A165-Y176 HydrophobicContact CB-CE1 3.84Å; A165-Y176 HydrophobicContact CB-CE2 4.16Å; A165-Y176 HydrophobicContact CB-CG 4.43Å; A165-Y176 PolarHBondContact N-OH 3.03Å; Y174-Y176 HydrophobicContact CE2-CE1 4.27Å; Y176-F188 VanDerWaalsContact CB-CE2 3.46Å; Y176-F188 AromaticContact CD2-CE2 3.82Å; Y176-F188 HydrophobicContact CD2-CE2 3.82Å; Y176-F188 AromaticContact CD2-CZ 3.57Å; Y176-F188 HydrophobicContact CD2-CZ 3.57Å; Y176-F188 HydrophobicContact CG-CE2 4.08Å; Y176-F188 AromaticContact CG-CZ 3.91Å; Y176-F188 HydrophobicContact CG-CZ 3.91Å; Y176-F188 CarbonylContact O-C 3.58Å; Y176-F188 VanDerWaalsContact O-CA 3.23Å; Y176-F188 WeakPolarHBondContact O-CA 3.47Å; Y176-Q189 VanDerWaalsContact CA-O 3.29Å; Y176-Q189 WeakPolarHBondContact CA-O 3.31Å; Y176-Q189 VanDerWaalsContact CB-O 3.26Å; Y176-Q189 WeakPolarHBondContact CB-O 3.38Å; Y176-Q189 WeakPolarHBondContact CD1-O 3.29Å; Y176-Q189 PolarHBondContact O-N 3.25Å; Y176-L190 HydrophobicContact CD1-CD2 4.38Å; Y176-L190 HydrophobicContact CD2-CD2 4.47Å; Y176-L190 HydrophobicContact CE1-CD2 4.17Å; Y176-L190 HydrophobicContact CE2-CD2 4.26Å; Y176-A191 HydrophobicContact CD1-CB 4.49Å; Y176-A191 HydrophobicContact CE1-CB 4.37Å; Y176-D194 WeakPolarHBondContact CE1-OD2 3.43Å; Y176-D194 PolarHBondContact OH-OD1 3.49Å; Y176-Y253 VanDerWaalsContact CB-OH 3.26Å; Y176-Y253 WeakPolarHBondContact CB-OH 3.31Å; Y176-Y253 AromaticContact CD2-CE1 3.63Å; Y176-Y253 HydrophobicContact CD2-CE1 3.63Å; Y176-Y253 HydrophobicContact CD2-CE2 4.38Å; Y176-Y253 AromaticContact CD2-CZ 3.45Å; Y176-Y253 VanDerWaalsContact CD2-CZ 3.45Å; Y176-Y253 WeakPolarHBondContact CD2-OH 3.45Å; Y176-Y253 HydrophobicContact CE2-CE1 4.31Å; Y176-Y253 HydrophobicContact CG-CE1 4.49Å; Y176-Y253 AromaticContact CG-CZ 3.88Å; Y176-Y253 VanDerWaalsContact CG-OH 3.27Å; Y176-Y253 PolarHBondContact N-OH 2.92Å; Y176-F257 HydrophobicContact CD2-CD2 4.31Å; Y176-F257 AromaticContact CE2-CD2 3.42Å; Y176-F257 HydrophobicContact CE2-CD2 3.42Å; Y176-F257 VanDerWaalsContact CE2-CD2 3.42Å; Y176-F257 HydrophobicContact CE2-CE2 4.02Å; Y176-F257 HydrophobicContact CE2-CG 4.33Å
177	D	98.6	Very high	98.2	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.011	27%	0.265	C	S	.	.			trans	-152.3	84.8	178.5	-170.8	-8.8	0	0	0	110.4	S175 V179 L185 F188 P223 W225 Y253	S175-D177 VanDerWaalsContact OG-C 3.29Å; S175-D177 PolarHBondContact OG-N 3.25Å; S175-D177 VanDerWaalsContact OG-N 3.1Å; S175-D177 PolarHBondContact OG-O 2.97Å; D177-V179 VanDerWaalsContact C-N 3.3Å; D177-V179 PolarHBondContact OD1-N 3.26Å; D177-L185 HydrophobicContact CB-CD2 4.27Å; D177-L185 WeakPolarHBondContact OD2-CD2 3.17Å; D177-F188 HydrophobicContact CB-CD2 4.47Å; D177-P223 VanDerWaalsContact O-CB 3.26Å; D177-P223 WeakPolarHBondContact O-CB 3.38Å; D177-P223 WeakPolarHBondContact O-CG 3.42Å; D177-W225 PolarHBondContact O-NE1 2.71Å; D177-Y253 HydrophobicContact CB-CE2 4.25Å
178	D	96.7	Very high	98.2	Very high	90 Å²	90	49.4 Å²	49.4	48%	0.481	27%	0.269	S	S	.	.			trans	-91.2	16.1	179.2	-68.5	-41.4	0	0	0	112.5	S175	S175-D178 WeakPolarHBondContact CB-OD1 3.49Å; S175-D178 PolarHBondContact N-OD2 3.02Å; S175-D178 PolarHBondContact OG-OD1 3.43Å
179	V	97.7	Very high	98.2	Very high	73 Å²	73	55.7 Å²	55.7	44%	0.442	30%	0.298	S	S	.	.	S	Bend	trans	-93.2	111.4	176.6	177.9	0	0	0	0	110.3	D177 G181 D182 E187 W225	D177-V179 VanDerWaalsContact C-N 3.3Å; D177-V179 PolarHBondContact OD1-N 3.26Å; V179-G181 PolarHBondContact O-N 3.35Å; V179-D182 HydrophobicContact CB-CB 4.36Å; V179-D182 HydrophobicContact CG1-CB 4.38Å; V179-D182 PolarHBondContact O-N 2.93Å; V179-E187 HydrophobicContact CB-CB 4.26Å; V179-E187 HydrophobicContact CB-CG 4.24Å; V179-E187 HydrophobicContact CG1-CG 4.39Å; V179-E187 HydrophobicContact CG2-CB 3.85Å; V179-E187 HydrophobicContact CG2-CG 3.9Å; V179-W225 PolarHBondContact O-NE1 3.35Å
180	D	97.3	Very high	98.2	Very high	132 Å²	132	56 Å²	56	71%	0.706	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	124.7	-179.6	-79.5	26.7	0	0	0	112.6	D182 W225	D180-D182 VanDerWaalsContact C-N 3.34Å; D180-W225 HydrophobicContact CB-CB 4.34Å; D180-W225 WeakPolarHBondContact OD1-CB 3.31Å
181	G	97.5	Very high	98.2	Very high	39 Å²	39	56.6 Å²	56.6	40%	0.402	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	10.6	173.4	0	0	0	0	0	114.8	V179 F183	V179-G181 PolarHBondContact O-N 3.35Å; G181-F183 WeakPolarHBondContact O-CD2 3.45Å; G181-F183 PolarHBondContact O-N 3.46Å
182	D	98.5	Very high	98.2	Very high	15 Å²	15	58.9 Å²	58.9	8%	0.08	31%	0.31	C	S	.	.			trans	-74.9	70	171.9	-169.9	3.8	0	0	0	112.4	V179 D180 N184 L185 S186 E187	V179-D182 HydrophobicContact CB-CB 4.36Å; V179-D182 HydrophobicContact CG1-CB 4.38Å; V179-D182 PolarHBondContact O-N 2.93Å; D180-D182 VanDerWaalsContact C-N 3.34Å; D182-N184 PolarHBondContact O-N 3.47Å; D182-N184 VanDerWaalsContact O-N 3.15Å; D182-N184 PolarHBondContact OD1-N 2.89Å; D182-L185 PolarHBondContact O-N 3.42Å; D182-L185 VanDerWaalsContact O-N 3.07Å; D182-L185 PolarHBondContact OD1-N 3.21Å; D182-S186 VanDerWaalsContact CG-N 3.31Å; D182-S186 VanDerWaalsContact CG-OG 3.28Å; D182-S186 PolarHBondContact OD1-N 3.21Å; D182-S186 VanDerWaalsContact OD1-N 3.15Å; D182-S186 PolarHBondContact OD1-OG 2.95Å; D182-S186 WeakPolarHBondContact OD2-CA 3.21Å; D182-S186 PolarHBondContact OD2-N 3.44Å; D182-S186 PolarHBondContact OD2-OG 3.46Å; D182-E187 WeakPolarHBondContact OD2-CB 3.19Å; D182-E187 PolarHBondContact OD2-N 3.42Å
183	F	98.6	Very high	98.3	Very high	63 Å²	63	54.2 Å²	54.2	28%	0.276	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.1	179.2	-64.5	-74.5	0	0	0	113.9	G181 W225 K245 Y246 T249	G181-F183 WeakPolarHBondContact O-CD2 3.45Å; G181-F183 PolarHBondContact O-N 3.46Å; F183-W225 HydrophobicContact CD1-CH2 4.27Å; F183-W225 HydrophobicContact CD1-CZ3 4.19Å; F183-W225 HydrophobicContact CE1-CH2 4.31Å; F183-W225 AromaticContact CE1-CZ3 3.78Å; F183-W225 HydrophobicContact CE1-CZ3 3.78Å; F183-W225 AromaticContact CZ-CZ3 3.95Å; F183-W225 HydrophobicContact CZ-CZ3 3.95Å; F183-K245 HydrophobicContact CD1-CB 4.46Å; F183-K245 HydrophobicContact CD1-CD 4.21Å; F183-K245 HydrophobicContact CD1-CG 4.32Å; F183-K245 HydrophobicContact CE1-CD 3.73Å; F183-K245 HydrophobicContact CE1-CG 3.9Å; F183-K245 HydrophobicContact CE2-CD 4.37Å; F183-K245 HydrophobicContact CZ-CD 3.85Å; F183-K245 VanDerWaalsContact CZ-CE 3.47Å; F183-K245 HydrophobicContact CZ-CG 4.47Å; F183-K245 VanDerWaalsContact CZ-NZ 3.31Å; F183-Y246 AromaticContact CE1-CD1 3.71Å; F183-Y246 HydrophobicContact CE1-CD1 3.71Å; F183-Y246 HydrophobicContact CE1-CD2 4.46Å; F183-Y246 AromaticContact CE1-CE1 3.52Å; F183-Y246 HydrophobicContact CE1-CE1 3.52Å; F183-Y246 HydrophobicContact CE1-CE2 4.31Å; F183-Y246 HydrophobicContact CE1-CG 4.18Å; F183-Y246 AromaticContact CE1-CZ 3.85Å; F183-Y246 HydrophobicContact CZ-CD1 4.32Å; F183-Y246 AromaticContact CZ-CE1 3.66Å; F183-Y246 HydrophobicContact CZ-CE1 3.66Å; F183-Y246 HydrophobicContact CZ-CE2 4.36Å; F183-Y246 AromaticContact CZ-CZ 3.69Å; F183-T249 WeakPolarHBondContact CD1-OG1 3.47Å
184	N	98.3	Very high	98.3	Very high	136 Å²	136	51.5 Å²	51.5	73%	0.727	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.8	176.8	-67.4	-31	0	0	0	112.2	D182 S186 K256	D182-N184 PolarHBondContact O-N 3.47Å; D182-N184 VanDerWaalsContact O-N 3.15Å; D182-N184 PolarHBondContact OD1-N 2.89Å; N184-S186 PolarHBondContact O-N 2.96Å; N184-K256 PolarHBondContact O-NZ 3.26Å
185	L	98.5	Very high	98.3	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	29%	0.294	C	S	.	.			trans	52.8	45.7	-175.5	-56.9	172.6	0	0	0	110.3	D177 D182 F188 M226 T249 Q252 Y253 K256	D177-L185 HydrophobicContact CB-CD2 4.27Å; D177-L185 WeakPolarHBondContact OD2-CD2 3.17Å; D182-L185 PolarHBondContact O-N 3.42Å; D182-L185 VanDerWaalsContact O-N 3.07Å; D182-L185 PolarHBondContact OD1-N 3.21Å; L185-F188 HydrophobicContact CB-CB 3.99Å; L185-M226 HydrophobicContact CD2-CE 3.95Å; L185-T249 HydrophobicContact CD1-CG2 4.39Å; L185-T249 HydrophobicContact CD2-CG2 3.74Å; L185-T249 HydrophobicContact CG-CG2 3.93Å; L185-Q252 HydrophobicContact CD1-CB 3.79Å; L185-Y253 HydrophobicContact CD2-CD2 4.18Å; L185-K256 HydrophobicContact CB-CD 3.63Å; L185-K256 HydrophobicContact CD1-CD 3.95Å; L185-K256 HydrophobicContact CG-CD 4.47Å; L185-K256 WeakPolarHBondContact O-CE 3.3Å; L185-K256 PolarHBondContact O-NZ 3.05Å
186	S	98.4	Very high	98.3	Very high	85 Å²	85	59 Å²	59	59%	0.594	31%	0.313	S	S	*	.	S	Bend	trans	-75.4	-28.4	177.7	48.6	0	0	0	0	113.3	D182 N184	D182-S186 VanDerWaalsContact CG-N 3.31Å; D182-S186 VanDerWaalsContact CG-OG 3.28Å; D182-S186 PolarHBondContact OD1-N 3.21Å; D182-S186 VanDerWaalsContact OD1-N 3.15Å; D182-S186 PolarHBondContact OD1-OG 2.95Å; D182-S186 WeakPolarHBondContact OD2-CA 3.21Å; D182-S186 PolarHBondContact OD2-N 3.44Å; D182-S186 PolarHBondContact OD2-OG 3.46Å; N184-S186 PolarHBondContact O-N 2.96Å
187	E	98.2	Very high	98.3	Very high	109 Å²	109	59.9 Å²	59.9	51%	0.509	32%	0.318	S	S	.	.	S	Bend	trans	-96.1	4.4	176.7	-59	-61.2	144.5	0	0	111.8	V179 D182 Q189	V179-E187 HydrophobicContact CB-CB 4.26Å; V179-E187 HydrophobicContact CB-CG 4.24Å; V179-E187 HydrophobicContact CG1-CG 4.39Å; V179-E187 HydrophobicContact CG2-CB 3.85Å; V179-E187 HydrophobicContact CG2-CG 3.9Å; D182-E187 WeakPolarHBondContact OD2-CB 3.19Å; D182-E187 PolarHBondContact OD2-N 3.42Å; E187-Q189 PolarHBondContact O-N 3.01Å
188	F	98.8	Very high	98.3	Very high	21 Å²	21	59.8 Å²	59.8	9%	0.092	32%	0.318	C	S	.	.			trans	-60.2	124	176.9	-178.5	-75.4	0	0	0	111	Y176 D177 L185 L190 Y253 K256 F257 E260	Y176-F188 VanDerWaalsContact CB-CE2 3.46Å; Y176-F188 AromaticContact CD2-CE2 3.82Å; Y176-F188 HydrophobicContact CD2-CE2 3.82Å; Y176-F188 AromaticContact CD2-CZ 3.57Å; Y176-F188 HydrophobicContact CD2-CZ 3.57Å; Y176-F188 HydrophobicContact CG-CE2 4.08Å; Y176-F188 AromaticContact CG-CZ 3.91Å; Y176-F188 HydrophobicContact CG-CZ 3.91Å; Y176-F188 CarbonylContact O-C 3.58Å; Y176-F188 VanDerWaalsContact O-CA 3.23Å; Y176-F188 WeakPolarHBondContact O-CA 3.47Å; D177-F188 HydrophobicContact CB-CD2 4.47Å; L185-F188 HydrophobicContact CB-CB 3.99Å; F188-L190 HydrophobicContact CE1-CD2 4.44Å; F188-Y253 AromaticContact CD2-CD2 3.67Å; F188-Y253 HydrophobicContact CD2-CD2 3.67Å; F188-Y253 AromaticContact CD2-CE2 3.82Å; F188-Y253 HydrophobicContact CD2-CE2 3.82Å; F188-Y253 HydrophobicContact CD2-CG 4.26Å; F188-Y253 HydrophobicContact CE2-CD1 4.01Å; F188-Y253 AromaticContact CE2-CD2 3.55Å; F188-Y253 HydrophobicContact CE2-CD2 3.55Å; F188-Y253 HydrophobicContact CE2-CE1 4.04Å; F188-Y253 AromaticContact CE2-CE2 3.59Å; F188-Y253 HydrophobicContact CE2-CE2 3.59Å; F188-Y253 AromaticContact CE2-CG 3.77Å; F188-Y253 HydrophobicContact CE2-CG 3.77Å; F188-Y253 AromaticContact CE2-CZ 3.86Å; F188-K256 HydrophobicContact CB-CD 3.81Å; F188-K256 HydrophobicContact CD1-CB 4.02Å; F188-K256 HydrophobicContact CD1-CD 4.06Å; F188-K256 HydrophobicContact CD2-CB 4.22Å; F188-K256 HydrophobicContact CD2-CD 4.19Å; F188-K256 HydrophobicContact CE1-CB 3.89Å; F188-K256 HydrophobicContact CE2-CB 4.05Å; F188-K256 HydrophobicContact CG-CB 4.21Å; F188-K256 HydrophobicContact CG-CD 3.76Å; F188-K256 HydrophobicContact CZ-CB 3.91Å; F188-F257 HydrophobicContact CZ-CB 4.18Å; F188-E260 HydrophobicContact CD1-CG 4.4Å; F188-E260 HydrophobicContact CE1-CG 3.91Å
189	Q	98.5	Very high	98.4	Very high	136 Å²	136	56 Å²	56	64%	0.636	30%	0.298	S	S	*	.			trans	-149.7	144.4	174.8	59.5	-174.3	-10.6	0	0	111.5	Y176 E187	Y176-Q189 VanDerWaalsContact CA-O 3.29Å; Y176-Q189 WeakPolarHBondContact CA-O 3.31Å; Y176-Q189 VanDerWaalsContact CB-O 3.26Å; Y176-Q189 WeakPolarHBondContact CB-O 3.38Å; Y176-Q189 WeakPolarHBondContact CD1-O 3.29Å; Y176-Q189 PolarHBondContact O-N 3.25Å; E187-Q189 PolarHBondContact O-N 3.01Å
190	L	98.7	Very high	98.5	Very high	7 Å²	7	54.3 Å²	54.3	4%	0.037	29%	0.288	C	S	.	.			trans	-60.5	148	168.8	-60.9	-173.4	0	0	0	110.3	Y176 F188 D194 Y195 I199 F257 E260 Y261	Y176-L190 HydrophobicContact CD1-CD2 4.38Å; Y176-L190 HydrophobicContact CD2-CD2 4.47Å; Y176-L190 HydrophobicContact CE1-CD2 4.17Å; Y176-L190 HydrophobicContact CE2-CD2 4.26Å; F188-L190 HydrophobicContact CE1-CD2 4.44Å; L190-D194 HydrophobicContact CB-CB 4.1Å; L190-D194 HydrophobicContact CD1-CB 4.39Å; L190-Y195 HydrophobicContact CB-CE2 3.89Å; L190-I199 HydrophobicContact CD1-CD1 4.24Å; L190-F257 HydrophobicContact CD2-CD2 4.29Å; L190-E260 HydrophobicContact CD1-CB 4.01Å; L190-E260 HydrophobicContact CD2-CB 4.06Å; L190-E260 HydrophobicContact CG-CB 3.94Å; L190-E260 HydrophobicContact CG-CG 4.43Å; L190-Y261 HydrophobicContact CD1-CD2 3.92Å; L190-Y261 HydrophobicContact CD1-CE2 3.8Å; L190-Y261 HydrophobicContact CD2-CD2 4.13Å; L190-Y261 HydrophobicContact CD2-CE2 3.87Å
191	A	98.5	Very high	98.6	Very high	12 Å²	12	48.6 Å²	48.6	10%	0.099	26%	0.257	C	S	.	.			trans	-82.5	165.1	-178.8	0	0	0	0	0	111.3	Y174 Y176 E193 D194 Y195	Y174-A191 HydrophobicContact CD2-CB 3.42Å; Y174-A191 VanDerWaalsContact CD2-CB 3.42Å; Y174-A191 HydrophobicContact CE2-CB 3.31Å; Y174-A191 HydrophobicContact CG-CB 4.32Å; Y176-A191 HydrophobicContact CD1-CB 4.49Å; Y176-A191 HydrophobicContact CE1-CB 4.37Å; A191-E193 WeakPolarHBondContact CB-OE2 3.47Å; A191-E193 PolarHBondContact O-N 3.44Å; A191-D194 PolarHBondContact N-OD2 3.31Å; A191-D194 WeakPolarHBondContact O-CB 3.3Å; A191-D194 PolarHBondContact O-N 3.34Å; A191-Y195 WeakPolarHBondContact O-CD2 3.17Å
192	Q	98.5	Very high	98.6	Very high	124 Å²	124	46.8 Å²	46.8	58%	0.579	24%	0.238	S	C	*	.	H	α-helix	trans	-63.2	-29	177.1	-70.4	-64.5	14.1	0	0	112.7	D194 Y195 N196	Q192-D194 VanDerWaalsContact C-N 3.3Å; Q192-D194 PolarHBondContact O-N 3.31Å; Q192-Y195 PolarHBondContact O-N 3.14Å; Q192-N196 VanDerWaalsContact O-CB 3.32Å; Q192-N196 WeakPolarHBondContact O-CB 3.4Å; Q192-N196 VanDerWaalsContact O-CG 3.31Å; Q192-N196 PolarHBondContact O-N 2.96Å; Q192-N196 PolarHBondContact O-ND2 2.79Å; Q192-N196 VanDerWaalsContact O-ND2 3.12Å
193	E	98.6	Very high	98.7	Very high	18 Å²	18	50.2 Å²	50.2	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-38.2	171.5	-67.4	84.7	168.5	0	0	111.8	R172 Y174 A191 L197 K198	R172-E193 IonicContact CZ-OE1 3.24Å; R172-E193 VanDerWaalsContact CZ-OE1 3.24Å; R172-E193 IonicContact CZ-OE2 3.31Å; R172-E193 IonicContact NE-OE1 2.77Å; R172-E193 PolarHBondContact NE-OE1 3Å; R172-E193 VanDerWaalsContact NH2-CD 3.31Å; R172-E193 IonicContact NH2-OE1 2.91Å; R172-E193 PolarHBondContact NH2-OE1 3.25Å; R172-E193 IonicContact NH2-OE2 2.72Å; R172-E193 PolarHBondContact NH2-OE2 3.16Å; Y174-E193 HydrophobicContact CE1-CB 4.11Å; Y174-E193 HydrophobicContact CE1-CG 3.79Å; Y174-E193 WeakPolarHBondContact OH-CB 3.44Å; A191-E193 WeakPolarHBondContact CB-OE2 3.47Å; A191-E193 PolarHBondContact O-N 3.44Å; E193-L197 HydrophobicContact CB-CD1 4.11Å; E193-L197 HydrophobicContact CG-CD1 3.99Å; E193-L197 VanDerWaalsContact O-CA 3.31Å; E193-L197 WeakPolarHBondContact O-CA 3.46Å; E193-L197 WeakPolarHBondContact O-CB 3.41Å; E193-L197 PolarHBondContact O-N 3.47Å; E193-K198 PolarHBondContact O-N 3.22Å
194	D	98.9	Very high	98.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-62.3	-48.9	174	-63.4	-83.2	0	0	0	111.5	Y176 L190 A191 Q192 N196 K198 I199 Y261	Y176-D194 WeakPolarHBondContact CE1-OD2 3.43Å; Y176-D194 PolarHBondContact OH-OD1 3.49Å; L190-D194 HydrophobicContact CB-CB 4.1Å; L190-D194 HydrophobicContact CD1-CB 4.39Å; A191-D194 PolarHBondContact N-OD2 3.31Å; A191-D194 WeakPolarHBondContact O-CB 3.3Å; A191-D194 PolarHBondContact O-N 3.34Å; Q192-D194 VanDerWaalsContact C-N 3.3Å; Q192-D194 PolarHBondContact O-N 3.31Å; D194-N196 VanDerWaalsContact C-N 3.35Å; D194-N196 PolarHBondContact O-N 2.91Å; D194-K198 PolarHBondContact O-N 3.33Å; D194-K198 IonicContact OD1-NZ 3.51Å; D194-I199 HydrophobicContact CB-CD1 3.99Å; D194-I199 WeakPolarHBondContact O-CB 3.41Å; D194-I199 WeakPolarHBondContact O-CD1 3.47Å; D194-I199 WeakPolarHBondContact O-CG1 3.42Å; D194-I199 PolarHBondContact O-N 3.27Å; D194-Y261 PolarHBondContact OD1-OH 3.19Å
195	Y	98.8	Very high	98.7	Very high	82 Å²	82	41.4 Å²	41.4	32%	0.322	21%	0.207	S	C	.	.	I	π-helix	trans	-70	-30.7	-175.3	-61.7	-80.6	0	0	0	113.5	L190 A191 Q192 I199 P200 R264	L190-Y195 HydrophobicContact CB-CE2 3.89Å; A191-Y195 WeakPolarHBondContact O-CD2 3.17Å; Q192-Y195 PolarHBondContact O-N 3.14Å; Y195-I199 HydrophobicContact CD1-CD1 4.23Å; Y195-P200 WeakPolarHBondContact O-CD 3.3Å; Y195-P200 WeakPolarHBondContact O-CG 3.34Å; Y195-R264 VanDerWaalsContact CE1-NE 3.3Å; Y195-R264 PolarHBondContact OH-NH2 3.26Å
196	N	98.7	Very high	98.7	Very high	86 Å²	86	44.2 Å²	44.2	46%	0.46	22%	0.22	S	C	.	.	I	π-helix	trans	-103.2	-31	-172.9	-61.4	-33.3	0	0	0	113	Q192 D194	Q192-N196 VanDerWaalsContact O-CB 3.32Å; Q192-N196 WeakPolarHBondContact O-CB 3.4Å; Q192-N196 VanDerWaalsContact O-CG 3.31Å; Q192-N196 PolarHBondContact O-N 2.96Å; Q192-N196 PolarHBondContact O-ND2 2.79Å; Q192-N196 VanDerWaalsContact O-ND2 3.12Å; D194-N196 VanDerWaalsContact C-N 3.35Å; D194-N196 PolarHBondContact O-N 2.91Å
197	L	98.8	Very high	98.7	Very high	23 Å²	23	43.5 Å²	43.5	12%	0.12	22%	0.215	C	C	.	.	I	π-helix	trans	-117.8	-15.5	-168.1	-51.9	176.6	0	0	0	113.9	D128 G131 I132 E193 Y201	D128-L197 HydrophobicContact CB-CD1 4.03Å; G131-L197 VanDerWaalsContact CA-O 3.25Å; G131-L197 WeakPolarHBondContact CA-O 3.42Å; I132-L197 HydrophobicContact CD1-CD1 4.11Å; I132-L197 HydrophobicContact CG1-CD1 3.74Å; I132-L197 HydrophobicContact CG1-CD2 3.9Å; I132-L197 HydrophobicContact CG1-CG 4.46Å; E193-L197 HydrophobicContact CB-CD1 4.11Å; E193-L197 HydrophobicContact CG-CD1 3.99Å; E193-L197 VanDerWaalsContact O-CA 3.31Å; E193-L197 WeakPolarHBondContact O-CA 3.46Å; E193-L197 WeakPolarHBondContact O-CB 3.41Å; E193-L197 PolarHBondContact O-N 3.47Å; L197-Y201 VanDerWaalsContact O-CD2 3.23Å; L197-Y201 WeakPolarHBondContact O-CD2 3.18Å
198	K	98.8	Very high	98.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-116.9	-63.4	-179.2	-55.7	-179	-171.7	168.6	0	112	D128 I162 P163 A165 Y174 E193 D194 Y201 I202	D128-K198 WeakPolarHBondContact OD1-CE 3.49Å; D128-K198 IonicContact OD1-NZ 3.26Å; I162-K198 HydrophobicContact CG2-CD 4.12Å; P163-K198 PolarHBondContact O-NZ 3.46Å; A165-K198 PolarHBondContact O-NZ 3.35Å; A165-K198 VanDerWaalsContact O-NZ 3.08Å; Y174-K198 PolarHBondContact OH-NZ 2.92Å; E193-K198 PolarHBondContact O-N 3.22Å; D194-K198 PolarHBondContact O-N 3.33Å; D194-K198 IonicContact OD1-NZ 3.51Å; K198-Y201 PolarHBondContact O-N 3.39Å; K198-I202 HydrophobicContact CB-CD1 4.17Å; K198-I202 VanDerWaalsContact O-CG1 3.29Å; K198-I202 WeakPolarHBondContact O-CG1 3.46Å; K198-I202 PolarHBondContact O-N 3.2Å
199	I	98.9	Very high	98.7	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.062	20%	0.199	C	C	.	.	H	α-helix	trans	-56.3	-46	-171.9	-70.6	157.1	0	0	0	113.2	L190 D194 Y195 Y201 I202 K203 Y261 I266	L190-I199 HydrophobicContact CD1-CD1 4.24Å; D194-I199 HydrophobicContact CB-CD1 3.99Å; D194-I199 WeakPolarHBondContact O-CB 3.41Å; D194-I199 WeakPolarHBondContact O-CD1 3.47Å; D194-I199 WeakPolarHBondContact O-CG1 3.42Å; D194-I199 PolarHBondContact O-N 3.27Å; Y195-I199 HydrophobicContact CD1-CD1 4.23Å; I199-Y201 VanDerWaalsContact C-N 3.35Å; I199-Y201 PolarHBondContact O-N 2.91Å; I199-I202 PolarHBondContact O-N 3.1Å; I199-K203 HydrophobicContact CG2-CD 4.16Å; I199-K203 HydrophobicContact CG2-CG 4.47Å; I199-K203 WeakPolarHBondContact O-CB 3.19Å; I199-K203 WeakPolarHBondContact O-CG 3.42Å; I199-K203 PolarHBondContact O-N 2.86Å; I199-Y261 HydrophobicContact CG1-CE1 4.21Å; I199-I266 HydrophobicContact CB-CD1 4.22Å; I199-I266 HydrophobicContact CG1-CD1 3.94Å; I199-I266 HydrophobicContact CG2-CD1 3.97Å
200	P	98.7	Very high	98.5	Very high	37 Å²	37	39.2 Å²	39.2	24%	0.24	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-42.9	-178.8	-24.9	36	0	0	0	112.7	Y195 K203 Y204	Y195-P200 WeakPolarHBondContact O-CD 3.3Å; Y195-P200 WeakPolarHBondContact O-CG 3.34Å; P200-K203 PolarHBondContact O-N 3.28Å; P200-Y204 PolarHBondContact O-N 3.46Å
201	Y	98.8	Very high	98.5	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.047	21%	0.212	C	C	.	.	H	α-helix	trans	-76.4	-35.3	-178.3	-53.3	-51.4	0	0	0	112.6	G131 I134 A135 L146 L197 K198 I199 K203 Y204 A205	G131-Y201 WeakPolarHBondContact O-CE2 3.28Å; G131-Y201 PolarHBondContact O-OH 3.23Å; I134-Y201 HydrophobicContact CB-CD1 4.47Å; I134-Y201 HydrophobicContact CB-CE1 4.12Å; I134-Y201 HydrophobicContact CB-CE2 4.17Å; I134-Y201 HydrophobicContact CD1-CD2 4.38Å; I134-Y201 HydrophobicContact CD1-CG 4.33Å; I134-Y201 HydrophobicContact CG2-CD1 3.64Å; I134-Y201 HydrophobicContact CG2-CE1 3.31Å; I134-Y201 HydrophobicContact CG2-CE2 4.25Å; I134-Y201 HydrophobicContact CG2-CG 4.24Å; A135-Y201 WeakPolarHBondContact CA-OH 3.28Å; A135-Y201 WeakPolarHBondContact CB-OH 3.46Å; A135-Y201 PolarHBondContact N-OH 3.4Å; A135-Y201 VanDerWaalsContact N-OH 3.16Å; L146-Y201 HydrophobicContact CD1-CD1 3.78Å; L146-Y201 HydrophobicContact CD1-CG 4.28Å; L197-Y201 VanDerWaalsContact O-CD2 3.23Å; L197-Y201 WeakPolarHBondContact O-CD2 3.18Å; K198-Y201 PolarHBondContact O-N 3.39Å; I199-Y201 VanDerWaalsContact C-N 3.35Å; I199-Y201 PolarHBondContact O-N 2.91Å; Y201-K203 VanDerWaalsContact C-N 3.33Å; Y201-Y204 PolarHBondContact O-N 3.09Å; Y201-A205 VanDerWaalsContact O-CB 3.28Å; Y201-A205 WeakPolarHBondContact O-CB 3.32Å; Y201-A205 PolarHBondContact O-N 3.1Å
202	I	98.9	Very high	98.4	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-47.2	170.3	-69.1	164.1	0	0	0	110	F126 I162 K198 I199 A205 Q206 L215 Y261 I266	F126-I202 HydrophobicContact CB-CD1 4.36Å; F126-I202 HydrophobicContact CB-CG1 4.3Å; F126-I202 HydrophobicContact CD1-CG1 3.69Å; F126-I202 HydrophobicContact CD2-CD1 4.39Å; F126-I202 HydrophobicContact CD2-CG1 3.81Å; F126-I202 HydrophobicContact CE1-CG1 3.85Å; F126-I202 HydrophobicContact CE2-CG1 3.96Å; F126-I202 HydrophobicContact CG-CD1 4.22Å; F126-I202 HydrophobicContact CG-CG1 3.66Å; F126-I202 HydrophobicContact CZ-CG1 3.99Å; I162-I202 HydrophobicContact CD1-CD1 3.6Å; I162-I202 HydrophobicContact CG1-CD1 4Å; K198-I202 HydrophobicContact CB-CD1 4.17Å; K198-I202 VanDerWaalsContact O-CG1 3.29Å; K198-I202 WeakPolarHBondContact O-CG1 3.46Å; K198-I202 PolarHBondContact O-N 3.2Å; I199-I202 PolarHBondContact O-N 3.1Å; I202-A205 PolarHBondContact O-N 3.18Å; I202-Q206 HydrophobicContact CG2-CG 4.43Å; I202-Q206 WeakPolarHBondContact O-CB 3.2Å; I202-Q206 VanDerWaalsContact O-CG 3.31Å; I202-Q206 WeakPolarHBondContact O-CG 3.25Å; I202-Q206 PolarHBondContact O-N 3.29Å; I202-L215 HydrophobicContact CG2-CD1 3.57Å; I202-L215 HydrophobicContact CG2-CD2 4.37Å; I202-Y261 HydrophobicContact CD1-CE1 4.26Å; I202-I266 HydrophobicContact CB-CD1 4.2Å; I202-I266 HydrophobicContact CG2-CD1 3.81Å; I202-I266 HydrophobicContact CG2-CG1 4.08Å; I202-I266 HydrophobicContact CG2-CG2 4Å
203	K	98.9	Very high	98.4	Very high	87 Å²	87	41.4 Å²	41.4	38%	0.378	22%	0.218	S	C	.	.	H	α-helix	trans	-63.8	-42.5	178.6	-77.2	-174.2	173.5	-171.8	0	112.5	I199 P200 Y201 Q206 S207 R264 I266	I199-K203 HydrophobicContact CG2-CD 4.16Å; I199-K203 HydrophobicContact CG2-CG 4.47Å; I199-K203 WeakPolarHBondContact O-CB 3.19Å; I199-K203 WeakPolarHBondContact O-CG 3.42Å; I199-K203 PolarHBondContact O-N 2.86Å; P200-K203 PolarHBondContact O-N 3.28Å; Y201-K203 VanDerWaalsContact C-N 3.33Å; K203-Q206 PolarHBondContact O-N 3.37Å; K203-S207 PolarHBondContact O-N 3.03Å; K203-R264 WeakPolarHBondContact CE-O 3.18Å; K203-R264 PolarHBondContact NZ-O 2.91Å; K203-I266 HydrophobicContact CG-CD1 4.36Å; K203-I266 HydrophobicContact CG-CG1 4.47Å
204	Y	98.8	Very high	98.4	Very high	13 Å²	13	43 Å²	43	5%	0.051	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-48.2	176.1	-175.8	-94.2	0	0	0	110.6	L29 Q143 L146 N147 P200 Y201 Q206 S207 I208	L29-Y204 HydrophobicContact CB-CD2 3.81Å; L29-Y204 HydrophobicContact CB-CE2 4.27Å; L29-Y204 HydrophobicContact CD1-CD2 4.42Å; Q143-Y204 HydrophobicContact CB-CE1 4.37Å; Q143-Y204 WeakPolarHBondContact CB-OH 3.36Å; Q143-Y204 HydrophobicContact CG-CE1 4.36Å; Q143-Y204 HydrophobicContact CG-CE2 3.87Å; Q143-Y204 WeakPolarHBondContact CG-OH 2.87Å; L146-Y204 HydrophobicContact CB-CD1 3.58Å; L146-Y204 HydrophobicContact CB-CE1 3.69Å; L146-Y204 HydrophobicContact CD1-CD1 3.42Å; L146-Y204 VanDerWaalsContact CD1-CD1 3.42Å; L146-Y204 HydrophobicContact CD1-CE1 4.21Å; L146-Y204 HydrophobicContact CD1-CG 4.1Å; L146-Y204 HydrophobicContact CG-CD1 4.13Å; N147-Y204 PolarHBondContact OD1-OH 3.34Å; P200-Y204 PolarHBondContact O-N 3.46Å; Y201-Y204 PolarHBondContact O-N 3.09Å; Y204-Q206 VanDerWaalsContact C-N 3.34Å; Y204-Q206 PolarHBondContact O-N 2.64Å; Y204-S207 WeakPolarHBondContact O-CB 3.26Å; Y204-S207 PolarHBondContact O-N 3.29Å; Y204-S207 PolarHBondContact O-OG 3.4Å; Y204-I208 HydrophobicContact CD1-CD1 4.04Å; Y204-I208 HydrophobicContact CE1-CD1 3.65Å; Y204-I208 HydrophobicContact CE1-CG1 4.5Å; Y204-I208 HydrophobicContact CE1-CG2 4.08Å; Y204-I208 HydrophobicContact CE2-CG2 4.36Å; Y204-I208 WeakPolarHBondContact O-CG1 3.47Å; Y204-I208 PolarHBondContact O-N 2.89Å
205	A	98.8	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-55.8	-45.4	175	0	0	0	0	0	112.3	F126 Y150 Y201 I202 S207 I208 A209 I213	F126-A205 HydrophobicContact CZ-CB 4.16Å; Y150-A205 HydrophobicContact CD1-CB 4.14Å; Y150-A205 HydrophobicContact CD2-CB 3.52Å; Y150-A205 HydrophobicContact CE1-CB 4.41Å; Y150-A205 HydrophobicContact CE2-CB 3.82Å; Y150-A205 HydrophobicContact CG-CB 3.71Å; Y201-A205 VanDerWaalsContact O-CB 3.28Å; Y201-A205 WeakPolarHBondContact O-CB 3.32Å; Y201-A205 PolarHBondContact O-N 3.1Å; I202-A205 PolarHBondContact O-N 3.18Å; A205-S207 VanDerWaalsContact C-N 3.26Å; A205-S207 PolarHBondContact O-N 3.06Å; A205-I208 VanDerWaalsContact O-CG1 3.29Å; A205-I208 WeakPolarHBondContact O-CG1 3.33Å; A205-I208 PolarHBondContact O-N 2.87Å; A205-A209 VanDerWaalsContact O-CB 3.32Å; A205-A209 WeakPolarHBondContact O-CB 3.27Å; A205-A209 PolarHBondContact O-N 2.78Å; A205-I213 HydrophobicContact CB-CD1 3.7Å
206	Q	98.7	Very high	98.5	Very high	63 Å²	63	39 Å²	39	29%	0.294	21%	0.209	S	C	.	.	H	α-helix	trans	-61.9	-31.6	175.5	-74.5	176.3	-39.4	0	0	113	I202 K203 Y204 I213	I202-Q206 HydrophobicContact CG2-CG 4.43Å; I202-Q206 WeakPolarHBondContact O-CB 3.2Å; I202-Q206 VanDerWaalsContact O-CG 3.31Å; I202-Q206 WeakPolarHBondContact O-CG 3.25Å; I202-Q206 PolarHBondContact O-N 3.29Å; K203-Q206 PolarHBondContact O-N 3.37Å; Y204-Q206 VanDerWaalsContact C-N 3.34Å; Y204-Q206 PolarHBondContact O-N 2.64Å; Q206-I213 HydrophobicContact CG-CD1 4.11Å
207	S	98.5	Very high	98.5	Very high	70 Å²	70	35 Å²	35	49%	0.49	19%	0.188	S	C	.	.	H	α-helix	trans	-75.3	-24.8	-179.1	76.8	0	0	0	0	114.1	K203 Y204 A205	K203-S207 PolarHBondContact O-N 3.03Å; Y204-S207 WeakPolarHBondContact O-CB 3.26Å; Y204-S207 PolarHBondContact O-N 3.29Å; Y204-S207 PolarHBondContact O-OG 3.4Å; A205-S207 VanDerWaalsContact C-N 3.26Å; A205-S207 PolarHBondContact O-N 3.06Å
208	I	98.2	Very high	98.5	Very high	20 Å²	20	33.9 Å²	33.9	10%	0.103	18%	0.182	C	C	.	.	H	α-helix	trans	-103.6	-18	-177.3	62.3	174.9	0	0	0	113.3	L146 N147 A151 Y204 A205	L146-I208 HydrophobicContact CB-CD1 4.38Å; N147-I208 WeakPolarHBondContact OD1-CD1 3.29Å; A151-I208 HydrophobicContact CB-CB 4.41Å; A151-I208 HydrophobicContact CB-CD1 4.21Å; Y204-I208 HydrophobicContact CD1-CD1 4.04Å; Y204-I208 HydrophobicContact CE1-CD1 3.65Å; Y204-I208 HydrophobicContact CE1-CG1 4.5Å; Y204-I208 HydrophobicContact CE1-CG2 4.08Å; Y204-I208 HydrophobicContact CE2-CG2 4.36Å; Y204-I208 WeakPolarHBondContact O-CG1 3.47Å; Y204-I208 PolarHBondContact O-N 2.89Å; A205-I208 VanDerWaalsContact O-CG1 3.29Å; A205-I208 WeakPolarHBondContact O-CG1 3.33Å; A205-I208 PolarHBondContact O-N 2.87Å
209	A	98.1	Very high	98.5	Very high	20 Å²	20	33.9 Å²	33.9	17%	0.165	18%	0.182	C	C	.	.			trans	-73.1	134.1	179.8	0	0	0	0	0	111.7	Y150 A205 I213	Y150-A209 WeakPolarHBondContact O-CA 3.33Å; A205-A209 VanDerWaalsContact O-CB 3.32Å; A205-A209 WeakPolarHBondContact O-CB 3.27Å; A205-A209 PolarHBondContact O-N 2.78Å; A209-I213 HydrophobicContact CB-CD1 4.03Å; A209-I213 HydrophobicContact CB-CG1 3.9Å
210	Q	95.6	Very high	98.5	Very high	136 Å²	136	33.4 Å²	33.4	64%	0.636	18%	0.179	S	C	*	.	S	Bend	trans	-76.8	-25.2	175.4	-76	-173.6	3.1	0	0	113.5	P152	P152-Q210 HydrophobicContact CG-CG 3.68Å
211	I	96.9	Very high	98.5	Very high	61 Å²	61	31.7 Å²	31.7	31%	0.313	17%	0.168	S	C	.	.	S	Bend	trans	-116	134.2	178.4	-60.6	176.3	0	0	0	107.6	T158 I213 P466 P467	T158-I211 HydrophobicContact CG2-CB 3.92Å; T158-I211 HydrophobicContact CG2-CD1 4.35Å; T158-I211 HydrophobicContact CG2-CG2 4.05Å; I211-I213 PolarHBondContact O-N 2.97Å; I211-P466 HydrophobicContact CD1-CB 4.08Å; I211-P467 HydrophobicContact CG2-CG 4.22Å
212	P	98	Very high	98.5	Very high	114 Å²	114	31.1 Å²	31.1	74%	0.74	17%	0.166	S	C	*	.			trans	-52.9	126.3	177.5	-28	35.2	0	0	0	112.5	K214	P212-K214 PolarHBondContact O-N 2.78Å
213	I	98.8	Very high	98.4	Very high	15 Å²	15	31.1 Å²	31.1	8%	0.077	17%	0.166	C	C	.	.			trans	-72	122.7	-179.8	-55.9	168.8	0	0	0	109.2	Y150 T158 A205 Q206 A209 I211 L215	Y150-I213 HydrophobicContact CD1-CD1 3.42Å; Y150-I213 VanDerWaalsContact CD1-CD1 3.42Å; Y150-I213 HydrophobicContact CD1-CG1 3.97Å; Y150-I213 HydrophobicContact CE1-CD1 3.57Å; Y150-I213 HydrophobicContact CE1-CG1 4.06Å; Y150-I213 HydrophobicContact CE1-CG2 4.18Å; Y150-I213 HydrophobicContact CG-CD1 4.22Å; T158-I213 WeakPolarHBondContact O-CA 3.48Å; A205-I213 HydrophobicContact CB-CD1 3.7Å; Q206-I213 HydrophobicContact CG-CD1 4.11Å; A209-I213 HydrophobicContact CB-CD1 4.03Å; A209-I213 HydrophobicContact CB-CG1 3.9Å; I211-I213 PolarHBondContact O-N 2.97Å; I213-L215 HydrophobicContact CG2-CD2 3.79Å; I213-L215 HydrophobicContact CG2-CG 4.16Å; I213-L215 PolarHBondContact O-N 3.08Å
214	K	98.9	Very high	98.4	Very high	50 Å²	50	27.5 Å²	27.5	22%	0.217	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	103.7	171.3	-66	-175.7	-174.6	84	0	109.7	V120 T158 M159 G160 P212 W269	V120-K214 HydrophobicContact CG1-CD 3.61Å; V120-K214 PolarHBondContact O-NZ 2.93Å; T158-K214 PolarHBondContact O-N 3.37Å; M159-K214 VanDerWaalsContact CA-O 3.29Å; M159-K214 WeakPolarHBondContact CA-O 3.33Å; M159-K214 HydrophobicContact CG-CB 4.31Å; G160-K214 PolarHBondContact N-O 3.07Å; G160-K214 VanDerWaalsContact N-O 3.1Å; P212-K214 PolarHBondContact O-N 2.78Å; K214-W269 HydrophobicContact CB-CB 4.15Å; K214-W269 HydrophobicContact CB-CD2 3.83Å; K214-W269 HydrophobicContact CB-CE3 3.94Å; K214-W269 HydrophobicContact CB-CG 3.9Å; K214-W269 HydrophobicContact CD-CD2 3.91Å; K214-W269 HydrophobicContact CD-CE3 4.41Å; K214-W269 HydrophobicContact CD-CG 4.24Å; K214-W269 HydrophobicContact CD-CZ2 4Å; K214-W269 HydrophobicContact CG-CD2 4.15Å; K214-W269 HydrophobicContact CG-CG 4.06Å
215	L	98.9	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.5	178.9	-62.9	166.7	0	0	0	110.3	F126 G160 I162 I202 I213 I266 W269 A270	F126-L215 HydrophobicContact CD2-CD2 4.4Å; F126-L215 HydrophobicContact CE2-CD2 3.99Å; G160-L215 CarbonylContact O-C 3.17Å; G160-L215 VanDerWaalsContact O-CA 3.31Å; G160-L215 WeakPolarHBondContact O-CA 3.08Å; I162-L215 HydrophobicContact CD1-CB 4.09Å; I162-L215 HydrophobicContact CD1-CD1 4.3Å; I162-L215 HydrophobicContact CD1-CD2 4.25Å; I162-L215 HydrophobicContact CD1-CG 4.44Å; I202-L215 HydrophobicContact CG2-CD1 3.57Å; I202-L215 HydrophobicContact CG2-CD2 4.37Å; I213-L215 HydrophobicContact CG2-CD2 3.79Å; I213-L215 HydrophobicContact CG2-CG 4.16Å; I213-L215 PolarHBondContact O-N 3.08Å; L215-I266 HydrophobicContact CD1-CG2 3.33Å; L215-W269 WeakPolarHBondContact O-CA 3.49Å; L215-W269 WeakPolarHBondContact O-CB 3.44Å; L215-W269 PolarHBondContact O-N 3.33Å; L215-A270 PolarHBondContact O-N 3.46Å
216	F	98.9	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150	169.3	73.3	-83.6	0	0	0	111.6	M159 G160 R161 I162 W269 A270 T272 M317 T376 V417	M159-F216 HydrophobicContact CE-CD1 4Å; M159-F216 HydrophobicContact CE-CE1 4.07Å; G160-F216 PolarHBondContact O-N 3.25Å; R161-F216 CarbonylContact C-O 3.57Å; R161-F216 VanDerWaalsContact CA-O 3.3Å; R161-F216 WeakPolarHBondContact CA-O 3.49Å; R161-F216 HydrophobicContact CB-CD1 4.42Å; R161-F216 HydrophobicContact CB-CD2 4.5Å; R161-F216 HydrophobicContact CB-CE1 3.79Å; R161-F216 HydrophobicContact CB-CE2 3.89Å; R161-F216 HydrophobicContact CB-CZ 3.5Å; R161-F216 VanDerWaalsContact CD-CE2 3.49Å; R161-F216 HydrophobicContact CG-CD2 4.08Å; R161-F216 HydrophobicContact CG-CE1 4.31Å; R161-F216 HydrophobicContact CG-CE2 3.46Å; R161-F216 VanDerWaalsContact CG-CE2 3.46Å; R161-F216 HydrophobicContact CG-CZ 3.61Å; I162-F216 PolarHBondContact N-O 2.66Å; F216-W269 HydrophobicContact CB-CE3 4.3Å; F216-A270 CarbonylContact C-O 3.53Å; F216-A270 WeakPolarHBondContact CA-O 3.32Å; F216-A270 HydrophobicContact CB-CB 3.85Å; F216-A270 WeakPolarHBondContact CB-O 3.35Å; F216-T272 HydrophobicContact CD2-CG2 4.21Å; F216-T272 HydrophobicContact CE2-CG2 4.39Å; F216-M317 HydrophobicContact CB-CE 4.22Å; F216-M317 HydrophobicContact CG-CE 4.28Å; F216-T376 HydrophobicContact CE2-CG2 3.76Å; F216-T376 HydrophobicContact CZ-CG2 3.82Å; F216-V417 HydrophobicContact CE1-CB 4.34Å; F216-V417 HydrophobicContact CE1-CG1 4.33Å; F216-V417 HydrophobicContact CE1-CG2 3.8Å; F216-V417 HydrophobicContact CZ-CB 4.32Å; F216-V417 HydrophobicContact CZ-CG1 4.27Å; F216-V417 HydrophobicContact CZ-CG2 4.24Å
217	A	98.9	Very high	98.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.2	-178	0	0	0	0	0	112.3	I162 M164 F257 I268 A270 V271 T272	I162-A217 HydrophobicContact CB-CB 4.35Å; I162-A217 WeakPolarHBondContact O-CA 3.49Å; I162-A217 WeakPolarHBondContact O-CB 2.97Å; M164-A217 HydrophobicContact CG-CB 3.68Å; M164-A217 HydrophobicContact SD-CB 4.05Å; A217-F257 HydrophobicContact CB-CD1 4.3Å; A217-F257 HydrophobicContact CB-CE1 3.31Å; A217-F257 HydrophobicContact CB-CZ 3.69Å; A217-I268 HydrophobicContact CB-CG2 4.43Å; A217-A270 PolarHBondContact N-O 2.83Å; A217-V271 HydrophobicContact CB-CG1 4.34Å; A217-V271 CarbonylContact O-C 3.48Å; A217-V271 WeakPolarHBondContact O-CA 3.44Å; A217-T272 PolarHBondContact O-N 3.23Å
218	S	98.9	Very high	98.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	129.6	-179.9	176.6	0	0	0	0	109.5	R161 I162 P163 M164 T272 N275 D320	R161-S218 PolarHBondContact NH2-OG 3.08Å; I162-S218 PolarHBondContact O-N 2.95Å; I162-S218 VanDerWaalsContact O-N 3.09Å; P163-S218 WeakPolarHBondContact CA-O 3.4Å; M164-S218 PolarHBondContact N-O 2.91Å; S218-T272 WeakPolarHBondContact CA-OG1 3.36Å; S218-T272 WeakPolarHBondContact CB-OG1 3.43Å; S218-T272 PolarHBondContact OG-OG1 3.27Å; S218-N275 WeakPolarHBondContact OG-CB 3.25Å; S218-D320 PolarHBondContact OG-OD2 2.9Å
219	P	98.8	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	139.7	171.4	32.8	-30.1	0	0	0	111.4	M164 W250 F254 T272 Q274 N275	M164-P219 HydrophobicContact CB-CB 4.01Å; M164-P219 HydrophobicContact SD-CB 4.33Å; M164-P219 HydrophobicContact SD-CG 4.28Å; P219-W250 HydrophobicContact CB-CH2 3.88Å; P219-W250 HydrophobicContact CB-CZ2 3.73Å; P219-W250 HydrophobicContact CG-CH2 4.37Å; P219-W250 HydrophobicContact CG-CZ2 3.76Å; P219-F254 HydrophobicContact CG-CE1 4.25Å; P219-F254 HydrophobicContact CG-CE2 4.06Å; P219-F254 HydrophobicContact CG-CZ 3.48Å; P219-F254 VanDerWaalsContact CG-CZ 3.48Å; P219-T272 WeakPolarHBondContact CD-O 3.3Å; P219-Q274 PolarHBondContact O-NE2 3.09Å; P219-N275 WeakPolarHBondContact O-CB 3.02Å; P219-N275 PolarHBondContact O-N 2.92Å
220	W	98.7	Very high	98.3	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.008	17%	0.17	C	C	.	.	S	Bend	trans	-80.4	-29.8	166.5	-89.3	-118.2	0	0	0	111.7	R161 P163 C167 Q274 N275 Q288 T289 M290 W419	R161-W220 VanDerWaalsContact CZ-CH2 3.44Å; P163-W220 HydrophobicContact CB-CE3 4.25Å; P163-W220 HydrophobicContact CB-CZ3 4.06Å; P163-W220 HydrophobicContact CG-CZ3 4.3Å; C167-W220 HydrophobicContact CB-CD2 3.46Å; C167-W220 VanDerWaalsContact CB-CD2 3.46Å; C167-W220 HydrophobicContact CB-CE3 3.77Å; C167-W220 HydrophobicContact CB-CG 3.8Å; C167-W220 HydrophobicContact CB-CZ2 4.26Å; C167-W220 HydrophobicContact CB-CZ3 4.31Å; W220-Q274 PolarHBondContact O-NE2 2.81Å; W220-N275 HydrophobicContact CD2-CB 3.86Å; W220-N275 VanDerWaalsContact CE2-CG 3.45Å; W220-N275 VanDerWaalsContact CE2-ND2 3.26Å; W220-N275 HydrophobicContact CE3-CB 3.98Å; W220-N275 HydrophobicContact CG-CB 4.29Å; W220-N275 HydrophobicContact CH2-CB 4.25Å; W220-N275 HydrophobicContact CZ2-CB 4.21Å; W220-N275 VanDerWaalsContact CZ2-CG 3.41Å; W220-N275 WeakPolarHBondContact CZ2-OD1 3.46Å; W220-N275 HydrophobicContact CZ3-CB 4.19Å; W220-N275 PolarHBondContact NE1-ND2 3.47Å; W220-Q288 HydrophobicContact CB-CB 3.5Å; W220-Q288 VanDerWaalsContact CB-CB 3.5Å; W220-Q288 HydrophobicContact CG-CB 4.27Å; W220-T289 CarbonylContact O-C 3.22Å; W220-T289 WeakPolarHBondContact O-CA 3.49Å; W220-T289 PolarHBondContact O-N 2.74Å; W220-M290 PolarHBondContact O-N 2.96Å; W220-W419 HydrophobicContact CH2-CE3 4.37Å; W220-W419 AromaticContact CH2-CH2 2.91Å; W220-W419 HydrophobicContact CH2-CH2 2.91Å; W220-W419 AromaticContact CH2-CZ2 3.7Å; W220-W419 HydrophobicContact CH2-CZ2 3.7Å; W220-W419 AromaticContact CH2-CZ3 3.3Å; W220-W419 HydrophobicContact CH2-CZ3 3.3Å; W220-W419 AromaticContact CZ2-CH2 3.04Å; W220-W419 HydrophobicContact CZ2-CH2 3.04Å; W220-W419 AromaticContact CZ2-CZ2 3.26Å; W220-W419 HydrophobicContact CZ2-CZ2 3.26Å; W220-W419 AromaticContact CZ2-CZ3 3.74Å; W220-W419 HydrophobicContact CZ2-CZ3 3.74Å; W220-W419 AromaticContact CZ3-CH2 3.81Å; W220-W419 HydrophobicContact CZ3-CH2 3.81Å; W220-W419 HydrophobicContact CZ3-CZ3 4.28Å
221	S	98.7	Very high	98.4	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.014	16%	0.162	C	C	.	.			trans	-161.4	155.5	178.7	-150.5	0	0	0	0	111.5	K227 M232 W250 T289	S221-K227 VanDerWaalsContact OG-CD 3.26Å; S221-K227 WeakPolarHBondContact OG-CD 3.48Å; S221-K227 PolarHBondContact OG-NZ 3.5Å; S221-M232 WeakPolarHBondContact CB-O 3.33Å; S221-M232 PolarHBondContact OG-O 3.35Å; S221-W250 WeakPolarHBondContact O-CH2 3.1Å; S221-T289 PolarHBondContact OG-O 3.21Å
222	A	98.7	Very high	98.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.			trans	-70.5	162.5	159.4	0	0	0	0	0	111	M226 K227 L238 W250 M290	A222-M226 HydrophobicContact CB-CB 4.19Å; A222-K227 HydrophobicContact CB-CG 4.47Å; A222-L238 HydrophobicContact CB-CD2 3.65Å; A222-W250 HydrophobicContact CB-CD2 3.78Å; A222-W250 HydrophobicContact CB-CE3 3.63Å; A222-W250 HydrophobicContact CB-CH2 4Å; A222-W250 HydrophobicContact CB-CZ2 4.08Å; A222-W250 HydrophobicContact CB-CZ3 3.77Å; A222-M290 HydrophobicContact CB-CE 4.33Å; A222-M290 HydrophobicContact CB-SD 3.62Å
223	P	98.7	Very high	98.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.			trans	-48.9	144.9	169	-25.5	31.9	0	0	0	111.8	S175 D177 W225 M226 Y253	S175-P223 WeakPolarHBondContact OG-CG 3.35Å; D177-P223 VanDerWaalsContact O-CB 3.26Å; D177-P223 WeakPolarHBondContact O-CB 3.38Å; D177-P223 WeakPolarHBondContact O-CG 3.42Å; P223-W225 HydrophobicContact CB-CG 4.46Å; P223-W225 PolarHBondContact O-N 3.06Å; P223-W225 VanDerWaalsContact O-N 3.14Å; P223-M226 HydrophobicContact CB-CG 4.39Å; P223-M226 HydrophobicContact CG-CE 4.11Å; P223-M226 HydrophobicContact CG-SD 4.29Å; P223-M226 WeakPolarHBondContact O-CB 3.47Å; P223-M226 PolarHBondContact O-N 2.7Å; P223-Y253 HydrophobicContact CG-CD2 4.39Å; P223-Y253 HydrophobicContact CG-CE2 3.88Å
224	G	98.4	Very high	98.4	Very high	12 Å²	12	24.1 Å²	24.1	12%	0.124	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-54.7	-38.7	-173.6	0	0	0	0	0	113.3	M226 K227 G230 K231	G224-M226 VanDerWaalsContact C-N 3.25Å; G224-M226 PolarHBondContact O-N 3.04Å; G224-K227 PolarHBondContact O-N 2.75Å; G224-K227 VanDerWaalsContact O-N 3.11Å; G224-G230 CarbonylContact O-C 3.54Å; G224-G230 VanDerWaalsContact O-C 3.22Å; G224-G230 VanDerWaalsContact O-CA 3.23Å; G224-G230 WeakPolarHBondContact O-CA 3.47Å; G224-K231 PolarHBondContact O-N 3.07Å
225	W	98.4	Very high	98.3	Very high	24 Å²	24	24.9 Å²	24.9	9%	0.091	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-68.4	-19.4	-179.7	71.3	-100.6	0	0	0	114.3	D177 V179 D180 F183 P223 K227 Y246 T249	D177-W225 PolarHBondContact O-NE1 2.71Å; V179-W225 PolarHBondContact O-NE1 3.35Å; D180-W225 HydrophobicContact CB-CB 4.34Å; D180-W225 WeakPolarHBondContact OD1-CB 3.31Å; F183-W225 HydrophobicContact CD1-CH2 4.27Å; F183-W225 HydrophobicContact CD1-CZ3 4.19Å; F183-W225 HydrophobicContact CE1-CH2 4.31Å; F183-W225 AromaticContact CE1-CZ3 3.78Å; F183-W225 HydrophobicContact CE1-CZ3 3.78Å; F183-W225 AromaticContact CZ-CZ3 3.95Å; F183-W225 HydrophobicContact CZ-CZ3 3.95Å; P223-W225 HydrophobicContact CB-CG 4.46Å; P223-W225 PolarHBondContact O-N 3.06Å; P223-W225 VanDerWaalsContact O-N 3.14Å; W225-K227 VanDerWaalsContact C-N 3.34Å; W225-Y246 HydrophobicContact CE3-CE1 4.04Å; W225-Y246 HydrophobicContact CZ3-CD1 4.21Å; W225-Y246 AromaticContact CZ3-CE1 3.88Å; W225-Y246 HydrophobicContact CZ3-CE1 3.88Å; W225-T249 HydrophobicContact CH2-CG2 4.45Å
226	M	98.8	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-83.8	-11.8	174.4	-62.5	-168.5	-172.3	0	0	112.9	L185 A222 P223 G224 L238 I239 Y246 T249 W250	L185-M226 HydrophobicContact CD2-CE 3.95Å; A222-M226 HydrophobicContact CB-CB 4.19Å; P223-M226 HydrophobicContact CB-CG 4.39Å; P223-M226 HydrophobicContact CG-CE 4.11Å; P223-M226 HydrophobicContact CG-SD 4.29Å; P223-M226 WeakPolarHBondContact O-CB 3.47Å; P223-M226 PolarHBondContact O-N 2.7Å; G224-M226 VanDerWaalsContact C-N 3.25Å; G224-M226 PolarHBondContact O-N 3.04Å; M226-L238 HydrophobicContact CB-CD2 4.03Å; M226-L238 WeakPolarHBondContact O-CA 3.19Å; M226-I239 WeakPolarHBondContact O-CG1 3.4Å; M226-I239 PolarHBondContact O-N 3.35Å; M226-Y246 HydrophobicContact CB-CD1 4.3Å; M226-Y246 HydrophobicContact CG-CD1 4.42Å; M226-T249 HydrophobicContact CE-CG2 3.52Å; M226-T249 HydrophobicContact SD-CG2 4.4Å; M226-W250 HydrophobicContact SD-CB 4.48Å; M226-W250 HydrophobicContact SD-CE3 4.26Å
227	K	98.5	Very high	98.2	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.013	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-100.3	147.2	-178.1	-70.9	179.1	61.3	-161.7	0	112.2	S221 A222 G224 W225 S229 G230 K231 M232 T237 T289 M290	S221-K227 VanDerWaalsContact OG-CD 3.26Å; S221-K227 WeakPolarHBondContact OG-CD 3.48Å; S221-K227 PolarHBondContact OG-NZ 3.5Å; A222-K227 HydrophobicContact CB-CG 4.47Å; G224-K227 PolarHBondContact O-N 2.75Å; G224-K227 VanDerWaalsContact O-N 3.11Å; W225-K227 VanDerWaalsContact C-N 3.34Å; K227-S229 PolarHBondContact O-N 2.99Å; K227-G230 PolarHBondContact O-N 2.99Å; K227-K231 WeakPolarHBondContact CD-O 3.41Å; K227-K231 VanDerWaalsContact CE-O 3.27Å; K227-K231 WeakPolarHBondContact CE-O 3.3Å; K227-K231 PolarHBondContact NZ-O 3.36Å; K227-M232 PolarHBondContact NZ-O 2.86Å; K227-M232 VanDerWaalsContact NZ-O 3.12Å; K227-T237 CarbonylContact C-O 3.54Å; K227-T237 VanDerWaalsContact CA-O 3.28Å; K227-T237 WeakPolarHBondContact CA-O 3.49Å; K227-T289 WeakPolarHBondContact CE-O 3.31Å; K227-T289 PolarHBondContact NZ-O 2.96Å; K227-M290 HydrophobicContact CD-CB 4.37Å; K227-M290 HydrophobicContact CD-CG 4.28Å; K227-M290 HydrophobicContact CD-SD 4.47Å; K227-M290 HydrophobicContact CG-CG 4.46Å; K227-M290 HydrophobicContact CG-SD 4.3Å
228	N	98.2	Very high	98.2	Very high	100 Å²	100	26 Å²	26	54%	0.535	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.2	177.4	65.8	-1.3	0	0	0	114	G236 T237 I239	N228-G236 WeakPolarHBondContact OD1-CA 3.49Å; N228-T237 PolarHBondContact N-O 3.07Å; N228-T237 PolarHBondContact ND2-OG1 3.02Å; N228-T237 PolarHBondContact OD1-N 3.41Å; N228-T237 PolarHBondContact OD1-O 2.66Å; N228-I239 HydrophobicContact CB-CG1 4.31Å
229	S	97.3	Very high	98.2	Very high	41 Å²	41	28.5 Å²	28.5	29%	0.287	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-12	174.4	62	0	0	0	0	113.4	K227 K231 N235	K227-S229 PolarHBondContact O-N 2.99Å; S229-K231 PolarHBondContact O-N 3.33Å; S229-K231 PolarHBondContact OG-N 3.37Å; S229-K231 PolarHBondContact OG-O 2.87Å; S229-N235 WeakPolarHBondContact CB-O 3.31Å
230	G	97.8	Very high	98.2	Very high	51 Å²	51	31.2 Å²	31.2	53%	0.526	19%	0.189	S	C	.	.	S	Bend	trans	66.2	12.1	-171.8	0	0	0	0	0	114	G224 K227	G224-G230 CarbonylContact O-C 3.54Å; G224-G230 VanDerWaalsContact O-C 3.22Å; G224-G230 VanDerWaalsContact O-CA 3.23Å; G224-G230 WeakPolarHBondContact O-CA 3.47Å; K227-G230 PolarHBondContact O-N 2.99Å
231	K	97.7	Very high	98.1	Very high	106 Å²	106	38.6 Å²	38.6	46%	0.461	22%	0.221	S	C	.	.	S	Bend	trans	-142.2	146.8	-170.7	-62.8	-179.5	-175	-176.8	0	111.4	G224 K227 S229 Y233	G224-K231 PolarHBondContact O-N 3.07Å; K227-K231 WeakPolarHBondContact CD-O 3.41Å; K227-K231 VanDerWaalsContact CE-O 3.27Å; K227-K231 WeakPolarHBondContact CE-O 3.3Å; K227-K231 PolarHBondContact NZ-O 3.36Å; S229-K231 PolarHBondContact O-N 3.33Å; S229-K231 PolarHBondContact OG-N 3.37Å; S229-K231 PolarHBondContact OG-O 2.87Å; K231-Y233 VanDerWaalsContact C-N 3.35Å; K231-Y233 HydrophobicContact CB-CD1 4.41Å; K231-Y233 HydrophobicContact CB-CE1 4.37Å; K231-Y233 HydrophobicContact CD-CE1 4.2Å
232	M	98.2	Very high	98.1	Very high	14 Å²	14	39.2 Å²	39.2	7%	0.069	23%	0.225	C	C	.	.	S	Bend	trans	-72.3	-27	174.9	-65	-177.4	72.6	0	0	113.1	Y174 S221 K227 Q288 T289	Y174-M232 WeakPolarHBondContact O-CE 3.46Å; S221-M232 WeakPolarHBondContact CB-O 3.33Å; S221-M232 PolarHBondContact OG-O 3.35Å; K227-M232 PolarHBondContact NZ-O 2.86Å; K227-M232 VanDerWaalsContact NZ-O 3.12Å; M232-Q288 HydrophobicContact CB-CG 4.22Å; M232-Q288 HydrophobicContact CE-CG 4.28Å; M232-Q288 WeakPolarHBondContact O-CA 3.43Å; M232-T289 PolarHBondContact O-N 3.27Å
233	Y	97.6	Very high	98.1	Very high	92 Å²	92	40.3 Å²	40.3	36%	0.361	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-107.9	168.6	177.9	68.8	-80.9	0	0	0	111.9	L173 K231 F287 W431	L173-Y233 HydrophobicContact CD1-CD1 3.6Å; L173-Y233 HydrophobicContact CD1-CE1 3.87Å; K231-Y233 VanDerWaalsContact C-N 3.35Å; K231-Y233 HydrophobicContact CB-CD1 4.41Å; K231-Y233 HydrophobicContact CB-CE1 4.37Å; K231-Y233 HydrophobicContact CD-CE1 4.2Å; Y233-F287 VanDerWaalsContact CA-O 3.28Å; Y233-F287 WeakPolarHBondContact CA-O 3.22Å; Y233-F287 VanDerWaalsContact CB-C 3.43Å; Y233-F287 WeakPolarHBondContact CB-O 3.16Å; Y233-W431 HydrophobicContact CD1-CH2 4.4Å; Y233-W431 HydrophobicContact CG-CH2 4.3Å
234	G	96.5	Very high	98.1	Very high	10 Å²	10	41.8 Å²	41.8	10%	0.103	25%	0.246	C	C	.	.	S	Bend	trans	72.9	167.7	-170.8	0	0	0	0	0	113	G236 Y285 T289	G234-G236 PolarHBondContact O-N 3.45Å; G234-Y285 WeakPolarHBondContact CA-O 3.28Å; G234-Y285 PolarHBondContact N-O 3.39Å; G234-T289 VanDerWaalsContact O-CG2 3.29Å; G234-T289 WeakPolarHBondContact O-CG2 3.4Å
235	N	97.4	Very high	98.1	Very high	65 Å²	65	46.8 Å²	46.8	35%	0.348	26%	0.264	S	S	.	.	S	Bend	trans	-57.2	139.9	178.8	59.7	-67.2	0	0	0	111.6	S229 G280 I282 Q284	S229-N235 WeakPolarHBondContact CB-O 3.31Å; N235-G280 CarbonylContact C-O 3.58Å; N235-G280 WeakPolarHBondContact CA-O 3.31Å; N235-G280 WeakPolarHBondContact CB-O 3.16Å; N235-I282 WeakPolarHBondContact CB-O 3.37Å; N235-Q284 PolarHBondContact OD1-N 3.38Å
236	G	98.1	Very high	98.1	Very high	4 Å²	4	47.7 Å²	47.7	4%	0.041	27%	0.268	C	S	.	.			trans	165.6	152.9	177	0	0	0	0	0	112.5	N228 G234 G280 G291	N228-G236 WeakPolarHBondContact OD1-CA 3.49Å; G234-G236 PolarHBondContact O-N 3.45Å; G236-G280 PolarHBondContact N-O 3.49Å; G236-G291 PolarHBondContact O-N 3.01Å
237	T	98.6	Very high	98.1	Very high	18 Å²	18	47.8 Å²	47.8	11%	0.11	27%	0.269	C	S	.	.			trans	-119.3	170	176.1	66.2	0	0	0	0	109.2	K227 N228 F281 G291	K227-T237 CarbonylContact C-O 3.54Å; K227-T237 VanDerWaalsContact CA-O 3.28Å; K227-T237 WeakPolarHBondContact CA-O 3.49Å; N228-T237 PolarHBondContact N-O 3.07Å; N228-T237 PolarHBondContact ND2-OG1 3.02Å; N228-T237 PolarHBondContact OD1-N 3.41Å; N228-T237 PolarHBondContact OD1-O 2.66Å; T237-F281 HydrophobicContact CG2-CE1 3.74Å; T237-F281 HydrophobicContact CG2-CZ 4.23Å; T237-G291 WeakPolarHBondContact CG2-O 3.09Å
238	L	98.6	Very high	98.1	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-54	147.5	164.4	-68.7	173.6	0	0	0	111	A222 M226 G240 Y247 W250 M290 F292	A222-L238 HydrophobicContact CB-CD2 3.65Å; M226-L238 HydrophobicContact CB-CD2 4.03Å; M226-L238 WeakPolarHBondContact O-CA 3.19Å; L238-G240 PolarHBondContact O-N 3.26Å; L238-Y247 HydrophobicContact CB-CD2 3.92Å; L238-Y247 HydrophobicContact CB-CE1 4.33Å; L238-Y247 HydrophobicContact CB-CE2 3.46Å; L238-Y247 VanDerWaalsContact CB-CE2 3.46Å; L238-Y247 HydrophobicContact CD1-CD1 3.78Å; L238-Y247 HydrophobicContact CD1-CD2 4.14Å; L238-Y247 HydrophobicContact CD1-CE1 3.86Å; L238-Y247 HydrophobicContact CD1-CE2 4.23Å; L238-Y247 HydrophobicContact CD1-CG 3.93Å; L238-Y247 HydrophobicContact CG-CE2 4.5Å; L238-W250 HydrophobicContact CD1-CB 3.97Å; L238-W250 HydrophobicContact CD1-CG 3.92Å; L238-W250 HydrophobicContact CD2-CB 4.25Å; L238-W250 HydrophobicContact CD2-CG 4.19Å; L238-M290 HydrophobicContact CD1-SD 4.34Å; L238-M290 HydrophobicContact CD2-SD 3.58Å; L238-M290 VanDerWaalsContact CD2-SD 3.58Å; L238-M290 HydrophobicContact CG-CE 4.3Å; L238-M290 HydrophobicContact CG-SD 3.53Å; L238-M290 VanDerWaalsContact CG-SD 3.53Å; L238-F292 HydrophobicContact CD1-CZ 4.15Å
239	I	98.6	Very high	98.2	Very high	53 Å²	53	48.7 Å²	48.7	27%	0.272	27%	0.269	S	S	.	.	S	Bend	trans	-68.9	128.2	176	-63.6	166.3	0	0	0	109.6	M226 N228 Y246	M226-I239 WeakPolarHBondContact O-CG1 3.4Å; M226-I239 PolarHBondContact O-N 3.35Å; N228-I239 HydrophobicContact CB-CG1 4.31Å; I239-Y246 HydrophobicContact CB-CD1 4.22Å; I239-Y246 HydrophobicContact CB-CD2 3.58Å; I239-Y246 HydrophobicContact CB-CE1 4.36Å; I239-Y246 HydrophobicContact CB-CE2 3.72Å; I239-Y246 HydrophobicContact CB-CG 3.85Å; I239-Y246 HydrophobicContact CD1-CD1 4.37Å; I239-Y246 HydrophobicContact CD1-CE1 3.86Å; I239-Y246 HydrophobicContact CD1-CE2 4.29Å; I239-Y246 HydrophobicContact CG2-CD2 3.62Å; I239-Y246 HydrophobicContact CG2-CE2 3.4Å; I239-Y246 HydrophobicContact CG2-CG 4.39Å; I239-Y246 WeakPolarHBondContact O-CB 3.17Å; I239-Y246 WeakPolarHBondContact O-CD2 3.3Å
240	G	98.1	Very high	98.2	Very high	58 Å²	58	46.8 Å²	46.8	60%	0.598	26%	0.255	S	S	*	.	S	Bend	trans	91.6	-139.9	176.4	0	0	0	0	0	113.2	L238	L238-G240 PolarHBondContact O-N 3.26Å
241	K	98.2	Very high	98.3	Very high	156 Å²	156	44.4 Å²	44.4	68%	0.678	23%	0.23	S	C	*	.			trans	-139.1	160.1	-176.3	60.8	178.3	177.4	178.6	0	110.8	G243 S244 Y247	K241-G243 PolarHBondContact O-N 3.21Å; K241-S244 PolarHBondContact N-OG 2.82Å; K241-S244 WeakPolarHBondContact O-CB 3.21Å; K241-S244 PolarHBondContact O-N 3.41Å; K241-S244 PolarHBondContact O-OG 2.91Å; K241-Y247 VanDerWaalsContact C-CE2 3.4Å; K241-Y247 WeakPolarHBondContact O-CD2 3.36Å
242	P	98.6	Very high	98.3	Very high	16 Å²	16	44 Å²	44	10%	0.104	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.1	139.1	170.1	-31.2	38.4	0	0	0	112.8	S244 Y247 D299 F300 M303 D304	P242-S244 VanDerWaalsContact C-N 3.3Å; P242-S244 PolarHBondContact O-N 2.99Å; P242-Y247 HydrophobicContact CB-CD1 4.17Å; P242-Y247 HydrophobicContact CB-CE1 4.41Å; P242-Y247 HydrophobicContact CG-CD1 3.86Å; P242-Y247 HydrophobicContact CG-CE1 3.61Å; P242-D299 HydrophobicContact CB-CB 3.72Å; P242-D299 HydrophobicContact CG-CB 3.69Å; P242-F300 HydrophobicContact CG-CB 4.34Å; P242-M303 HydrophobicContact CB-SD 4.04Å; P242-D304 WeakPolarHBondContact CA-OD2 3.24Å
243	G	98.3	Very high	98.4	Very high	22 Å²	22	43.4 Å²	43.4	23%	0.227	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	-11.7	-170.4	0	0	0	0	0	115.6	K241 K248 D304	K241-G243 PolarHBondContact O-N 3.21Å; G243-K248 WeakPolarHBondContact O-CE 3.2Å; G243-D304 WeakPolarHBondContact CA-OD1 3.48Å; G243-D304 PolarHBondContact N-OD1 2.74Å; G243-D304 VanDerWaalsContact N-OD1 3.16Å; G243-D304 PolarHBondContact N-OD2 2.68Å
244	S	98.4	Very high	98.4	Very high	31 Å²	31	39 Å²	39	22%	0.217	21%	0.21	C	C	.	.	S	Bend	trans	-79.3	168.2	176.5	73.4	0	0	0	0	112.4	K241 P242 Y246 Y247 K248	K241-S244 PolarHBondContact N-OG 2.82Å; K241-S244 WeakPolarHBondContact O-CB 3.21Å; K241-S244 PolarHBondContact O-N 3.41Å; K241-S244 PolarHBondContact O-OG 2.91Å; P242-S244 VanDerWaalsContact C-N 3.3Å; P242-S244 PolarHBondContact O-N 2.99Å; S244-Y246 VanDerWaalsContact C-N 3.32Å; S244-Y246 PolarHBondContact O-N 3.03Å; S244-Y247 PolarHBondContact O-N 2.99Å; S244-Y247 WeakPolarHBondContact OG-CD2 3.46Å; S244-K248 WeakPolarHBondContact O-CG 3.23Å; S244-K248 PolarHBondContact O-N 3.42Å
245	K	98.4	Very high	98.5	Very high	117 Å²	117	38.7 Å²	38.7	51%	0.509	21%	0.206	S	C	.	.	H	α-helix	trans	-56.5	-40	-175.7	66.9	176.1	-174.8	167.2	0	113.9	F183 T249	F183-K245 HydrophobicContact CD1-CB 4.46Å; F183-K245 HydrophobicContact CD1-CD 4.21Å; F183-K245 HydrophobicContact CD1-CG 4.32Å; F183-K245 HydrophobicContact CE1-CD 3.73Å; F183-K245 HydrophobicContact CE1-CG 3.9Å; F183-K245 HydrophobicContact CE2-CD 4.37Å; F183-K245 HydrophobicContact CZ-CD 3.85Å; F183-K245 VanDerWaalsContact CZ-CE 3.47Å; F183-K245 HydrophobicContact CZ-CG 4.47Å; F183-K245 VanDerWaalsContact CZ-NZ 3.31Å; K245-T249 WeakPolarHBondContact O-CB 3.26Å; K245-T249 PolarHBondContact O-N 3.48Å; K245-T249 PolarHBondContact O-OG1 2.97Å
246	Y	98.7	Very high	98.6	Very high	44 Å²	44	38.6 Å²	38.6	17%	0.173	20%	0.203	C	C	.	.	H	α-helix	trans	-70.2	-40.3	-179.6	-68.3	-84	0	0	0	111.8	F183 W225 M226 I239 S244 T249 W250	F183-Y246 AromaticContact CE1-CD1 3.71Å; F183-Y246 HydrophobicContact CE1-CD1 3.71Å; F183-Y246 HydrophobicContact CE1-CD2 4.46Å; F183-Y246 AromaticContact CE1-CE1 3.52Å; F183-Y246 HydrophobicContact CE1-CE1 3.52Å; F183-Y246 HydrophobicContact CE1-CE2 4.31Å; F183-Y246 HydrophobicContact CE1-CG 4.18Å; F183-Y246 AromaticContact CE1-CZ 3.85Å; F183-Y246 HydrophobicContact CZ-CD1 4.32Å; F183-Y246 AromaticContact CZ-CE1 3.66Å; F183-Y246 HydrophobicContact CZ-CE1 3.66Å; F183-Y246 HydrophobicContact CZ-CE2 4.36Å; F183-Y246 AromaticContact CZ-CZ 3.69Å; W225-Y246 HydrophobicContact CE3-CE1 4.04Å; W225-Y246 HydrophobicContact CZ3-CD1 4.21Å; W225-Y246 AromaticContact CZ3-CE1 3.88Å; W225-Y246 HydrophobicContact CZ3-CE1 3.88Å; M226-Y246 HydrophobicContact CB-CD1 4.3Å; M226-Y246 HydrophobicContact CG-CD1 4.42Å; I239-Y246 HydrophobicContact CB-CD1 4.22Å; I239-Y246 HydrophobicContact CB-CD2 3.58Å; I239-Y246 HydrophobicContact CB-CE1 4.36Å; I239-Y246 HydrophobicContact CB-CE2 3.72Å; I239-Y246 HydrophobicContact CB-CG 3.85Å; I239-Y246 HydrophobicContact CD1-CD1 4.37Å; I239-Y246 HydrophobicContact CD1-CE1 3.86Å; I239-Y246 HydrophobicContact CD1-CE2 4.29Å; I239-Y246 HydrophobicContact CG2-CD2 3.62Å; I239-Y246 HydrophobicContact CG2-CE2 3.4Å; I239-Y246 HydrophobicContact CG2-CG 4.39Å; I239-Y246 WeakPolarHBondContact O-CB 3.17Å; I239-Y246 WeakPolarHBondContact O-CD2 3.3Å; S244-Y246 VanDerWaalsContact C-N 3.32Å; S244-Y246 PolarHBondContact O-N 3.03Å; Y246-T249 PolarHBondContact O-N 3.34Å; Y246-W250 WeakPolarHBondContact O-CB 3.28Å; Y246-W250 PolarHBondContact O-N 2.89Å
247	Y	98.8	Very high	98.6	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-66.2	-42.3	175.9	-79.3	-106.4	0	0	0	111.7	L238 K241 P242 S244 W250 A251 F292 F300	L238-Y247 HydrophobicContact CB-CD2 3.92Å; L238-Y247 HydrophobicContact CB-CE1 4.33Å; L238-Y247 HydrophobicContact CB-CE2 3.46Å; L238-Y247 VanDerWaalsContact CB-CE2 3.46Å; L238-Y247 HydrophobicContact CD1-CD1 3.78Å; L238-Y247 HydrophobicContact CD1-CD2 4.14Å; L238-Y247 HydrophobicContact CD1-CE1 3.86Å; L238-Y247 HydrophobicContact CD1-CE2 4.23Å; L238-Y247 HydrophobicContact CD1-CG 3.93Å; L238-Y247 HydrophobicContact CG-CE2 4.5Å; K241-Y247 VanDerWaalsContact C-CE2 3.4Å; K241-Y247 WeakPolarHBondContact O-CD2 3.36Å; P242-Y247 HydrophobicContact CB-CD1 4.17Å; P242-Y247 HydrophobicContact CB-CE1 4.41Å; P242-Y247 HydrophobicContact CG-CD1 3.86Å; P242-Y247 HydrophobicContact CG-CE1 3.61Å; S244-Y247 PolarHBondContact O-N 2.99Å; S244-Y247 WeakPolarHBondContact OG-CD2 3.46Å; Y247-W250 PolarHBondContact O-N 2.82Å; Y247-A251 PolarHBondContact O-N 2.82Å; Y247-F292 AromaticContact CE1-CE1 3.87Å; Y247-F292 HydrophobicContact CE1-CE1 3.87Å; Y247-F292 HydrophobicContact CE1-CZ 4.39Å; Y247-F300 HydrophobicContact CD1-CB 4.13Å; Y247-F300 AromaticContact CD1-CD2 3.67Å; Y247-F300 HydrophobicContact CD1-CD2 3.67Å; Y247-F300 HydrophobicContact CD1-CE2 4.42Å; Y247-F300 HydrophobicContact CD1-CG 4.11Å; Y247-F300 HydrophobicContact CE1-CB 4.34Å; Y247-F300 WeakPolarHBondContact O-CE2 3.45Å
248	K	98.8	Very high	98.7	Very high	115 Å²	115	38 Å²	38	50%	0.5	20%	0.198	S	C	.	.	H	α-helix	trans	-61.8	-44.1	173.5	-72.1	-179.8	174.6	175.8	0	112.3	G243 S244 W250 A251 Q252 D304	G243-K248 WeakPolarHBondContact O-CE 3.2Å; S244-K248 WeakPolarHBondContact O-CG 3.23Å; S244-K248 PolarHBondContact O-N 3.42Å; K248-W250 VanDerWaalsContact C-N 3.33Å; K248-A251 PolarHBondContact O-N 3.19Å; K248-Q252 WeakPolarHBondContact O-CG 3.06Å; K248-Q252 PolarHBondContact O-N 2.76Å; K248-D304 WeakPolarHBondContact CG-OD1 3.29Å
249	T	98.8	Very high	98.7	Very high	8 Å²	8	42.1 Å²	42.1	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-43.2	177.7	-53.2	0	0	0	0	110.4	F183 L185 W225 M226 K245 Y246 A251 Q252 Y253	F183-T249 WeakPolarHBondContact CD1-OG1 3.47Å; L185-T249 HydrophobicContact CD1-CG2 4.39Å; L185-T249 HydrophobicContact CD2-CG2 3.74Å; L185-T249 HydrophobicContact CG-CG2 3.93Å; W225-T249 HydrophobicContact CH2-CG2 4.45Å; M226-T249 HydrophobicContact CE-CG2 3.52Å; M226-T249 HydrophobicContact SD-CG2 4.4Å; K245-T249 WeakPolarHBondContact O-CB 3.26Å; K245-T249 PolarHBondContact O-N 3.48Å; K245-T249 PolarHBondContact O-OG1 2.97Å; Y246-T249 PolarHBondContact O-N 3.34Å; T249-A251 PolarHBondContact O-N 3.4Å; T249-Q252 CarbonylContact O-C 3.57Å; T249-Q252 PolarHBondContact O-N 2.91Å; T249-Q252 VanDerWaalsContact O-N 3.14Å; T249-Y253 PolarHBondContact O-N 2.99Å
250	W	98.9	Very high	98.7	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-40.7	175.1	-174.6	-125.4	0	0	0	112.7	P219 S221 A222 M226 L238 Y246 Y247 K248 Q252 Y253 F254 M290 F300	P219-W250 HydrophobicContact CB-CH2 3.88Å; P219-W250 HydrophobicContact CB-CZ2 3.73Å; P219-W250 HydrophobicContact CG-CH2 4.37Å; P219-W250 HydrophobicContact CG-CZ2 3.76Å; S221-W250 WeakPolarHBondContact O-CH2 3.1Å; A222-W250 HydrophobicContact CB-CD2 3.78Å; A222-W250 HydrophobicContact CB-CE3 3.63Å; A222-W250 HydrophobicContact CB-CH2 4Å; A222-W250 HydrophobicContact CB-CZ2 4.08Å; A222-W250 HydrophobicContact CB-CZ3 3.77Å; M226-W250 HydrophobicContact SD-CB 4.48Å; M226-W250 HydrophobicContact SD-CE3 4.26Å; L238-W250 HydrophobicContact CD1-CB 3.97Å; L238-W250 HydrophobicContact CD1-CG 3.92Å; L238-W250 HydrophobicContact CD2-CB 4.25Å; L238-W250 HydrophobicContact CD2-CG 4.19Å; Y246-W250 WeakPolarHBondContact O-CB 3.28Å; Y246-W250 PolarHBondContact O-N 2.89Å; Y247-W250 PolarHBondContact O-N 2.82Å; K248-W250 VanDerWaalsContact C-N 3.33Å; W250-Q252 VanDerWaalsContact C-N 3.34Å; W250-Q252 PolarHBondContact O-N 2.9Å; W250-Y253 AromaticContact CE3-CD1 3.89Å; W250-Y253 HydrophobicContact CE3-CD1 3.89Å; W250-Y253 HydrophobicContact CE3-CD2 4.33Å; W250-Y253 AromaticContact CE3-CG 3.77Å; W250-Y253 HydrophobicContact CE3-CG 3.77Å; W250-Y253 AromaticContact CH2-CD1 3.89Å; W250-Y253 HydrophobicContact CH2-CD1 3.89Å; W250-Y253 AromaticContact CH2-CE1 3.92Å; W250-Y253 HydrophobicContact CH2-CE1 3.92Å; W250-Y253 AromaticContact CZ3-CD1 3.24Å; W250-Y253 HydrophobicContact CZ3-CD1 3.24Å; W250-Y253 HydrophobicContact CZ3-CD2 4.02Å; W250-Y253 AromaticContact CZ3-CE1 3.51Å; W250-Y253 HydrophobicContact CZ3-CE1 3.51Å; W250-Y253 HydrophobicContact CZ3-CE2 4.23Å; W250-Y253 AromaticContact CZ3-CG 3.53Å; W250-Y253 HydrophobicContact CZ3-CG 3.53Å; W250-Y253 AromaticContact CZ3-CZ 3.97Å; W250-Y253 VanDerWaalsContact O-CB 3.27Å; W250-Y253 WeakPolarHBondContact O-CB 3.47Å; W250-Y253 PolarHBondContact O-N 2.88Å; W250-F254 HydrophobicContact CD2-CE2 4.25Å; W250-F254 AromaticContact CE2-CE2 3.53Å; W250-F254 HydrophobicContact CH2-CE2 4.36Å; W250-F254 HydrophobicContact CZ2-CD2 4.41Å; W250-F254 AromaticContact CZ2-CE2 3.62Å; W250-F254 HydrophobicContact CZ2-CE2 3.62Å; W250-F254 HydrophobicContact CZ2-CZ 4.37Å; W250-F254 AromaticContact NE1-CE2 3.54Å; W250-F254 WeakPolarHBondContact O-CD2 3.23Å; W250-F254 PolarHBondContact O-N 3.09Å; W250-M290 HydrophobicContact CZ2-CE 4.17Å; W250-F300 AromaticContact CD1-CE1 3.89Å; W250-F300 AromaticContact CD1-CZ 3.4Å; W250-F300 VanDerWaalsContact CD1-CZ 3.4Å; W250-F300 HydrophobicContact CG-CZ 4.3Å
251	A	98.9	Very high	98.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-39.2	172.6	0	0	0	0	0	112.8	Y247 K248 T249 Y253 F254 A255 F300 D304 L305 A308	Y247-A251 PolarHBondContact O-N 2.82Å; K248-A251 PolarHBondContact O-N 3.19Å; T249-A251 PolarHBondContact O-N 3.4Å; A251-Y253 VanDerWaalsContact C-N 3.31Å; A251-Y253 PolarHBondContact O-N 3.43Å; A251-F254 WeakPolarHBondContact O-CB 3.41Å; A251-F254 PolarHBondContact O-N 3.2Å; A251-A255 PolarHBondContact O-N 3.1Å; A251-F300 HydrophobicContact CB-CE2 3.99Å; A251-F300 HydrophobicContact CB-CZ 4.33Å; A251-D304 HydrophobicContact CB-CB 3.87Å; A251-L305 HydrophobicContact CB-CB 4.49Å; A251-L305 HydrophobicContact CB-CD1 4.37Å; A251-A308 HydrophobicContact CB-CB 3.79Å
252	Q	98.8	Very high	98.7	Very high	97 Å²	97	33.4 Å²	33.4	45%	0.453	17%	0.171	S	C	.	.	H	α-helix	trans	-69.7	-27.9	174.8	-66.3	-56.3	-47.3	0	0	112.8	L185 K248 T249 W250 F254 A255 K256	L185-Q252 HydrophobicContact CD1-CB 3.79Å; K248-Q252 WeakPolarHBondContact O-CG 3.06Å; K248-Q252 PolarHBondContact O-N 2.76Å; T249-Q252 CarbonylContact O-C 3.57Å; T249-Q252 PolarHBondContact O-N 2.91Å; T249-Q252 VanDerWaalsContact O-N 3.14Å; W250-Q252 VanDerWaalsContact C-N 3.34Å; W250-Q252 PolarHBondContact O-N 2.9Å; Q252-F254 VanDerWaalsContact C-N 3.31Å; Q252-F254 PolarHBondContact O-N 3.36Å; Q252-A255 PolarHBondContact O-N 3.45Å; Q252-K256 PolarHBondContact O-N 2.95Å
253	Y	98.9	Very high	98.7	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-40.1	173.1	-175	-76.2	0	0	0	111.2	M164 Y176 D177 L185 F188 P223 T249 W250 A251 F257	M164-Y253 HydrophobicContact CE-CD1 4.18Å; M164-Y253 HydrophobicContact CE-CE1 4.25Å; Y176-Y253 VanDerWaalsContact CB-OH 3.26Å; Y176-Y253 WeakPolarHBondContact CB-OH 3.31Å; Y176-Y253 AromaticContact CD2-CE1 3.63Å; Y176-Y253 HydrophobicContact CD2-CE1 3.63Å; Y176-Y253 HydrophobicContact CD2-CE2 4.38Å; Y176-Y253 AromaticContact CD2-CZ 3.45Å; Y176-Y253 VanDerWaalsContact CD2-CZ 3.45Å; Y176-Y253 WeakPolarHBondContact CD2-OH 3.45Å; Y176-Y253 HydrophobicContact CE2-CE1 4.31Å; Y176-Y253 HydrophobicContact CG-CE1 4.49Å; Y176-Y253 AromaticContact CG-CZ 3.88Å; Y176-Y253 VanDerWaalsContact CG-OH 3.27Å; Y176-Y253 PolarHBondContact N-OH 2.92Å; D177-Y253 HydrophobicContact CB-CE2 4.25Å; L185-Y253 HydrophobicContact CD2-CD2 4.18Å; F188-Y253 AromaticContact CD2-CD2 3.67Å; F188-Y253 HydrophobicContact CD2-CD2 3.67Å; F188-Y253 AromaticContact CD2-CE2 3.82Å; F188-Y253 HydrophobicContact CD2-CE2 3.82Å; F188-Y253 HydrophobicContact CD2-CG 4.26Å; F188-Y253 HydrophobicContact CE2-CD1 4.01Å; F188-Y253 AromaticContact CE2-CD2 3.55Å; F188-Y253 HydrophobicContact CE2-CD2 3.55Å; F188-Y253 HydrophobicContact CE2-CE1 4.04Å; F188-Y253 AromaticContact CE2-CE2 3.59Å; F188-Y253 HydrophobicContact CE2-CE2 3.59Å; F188-Y253 AromaticContact CE2-CG 3.77Å; F188-Y253 HydrophobicContact CE2-CG 3.77Å; F188-Y253 AromaticContact CE2-CZ 3.86Å; P223-Y253 HydrophobicContact CG-CD2 4.39Å; P223-Y253 HydrophobicContact CG-CE2 3.88Å; T249-Y253 PolarHBondContact O-N 2.99Å; W250-Y253 AromaticContact CE3-CD1 3.89Å; W250-Y253 HydrophobicContact CE3-CD1 3.89Å; W250-Y253 HydrophobicContact CE3-CD2 4.33Å; W250-Y253 AromaticContact CE3-CG 3.77Å; W250-Y253 HydrophobicContact CE3-CG 3.77Å; W250-Y253 AromaticContact CH2-CD1 3.89Å; W250-Y253 HydrophobicContact CH2-CD1 3.89Å; W250-Y253 AromaticContact CH2-CE1 3.92Å; W250-Y253 HydrophobicContact CH2-CE1 3.92Å; W250-Y253 AromaticContact CZ3-CD1 3.24Å; W250-Y253 HydrophobicContact CZ3-CD1 3.24Å; W250-Y253 HydrophobicContact CZ3-CD2 4.02Å; W250-Y253 AromaticContact CZ3-CE1 3.51Å; W250-Y253 HydrophobicContact CZ3-CE1 3.51Å; W250-Y253 HydrophobicContact CZ3-CE2 4.23Å; W250-Y253 AromaticContact CZ3-CG 3.53Å; W250-Y253 HydrophobicContact CZ3-CG 3.53Å; W250-Y253 AromaticContact CZ3-CZ 3.97Å; W250-Y253 VanDerWaalsContact O-CB 3.27Å; W250-Y253 WeakPolarHBondContact O-CB 3.47Å; W250-Y253 PolarHBondContact O-N 2.88Å; A251-Y253 VanDerWaalsContact C-N 3.31Å; A251-Y253 PolarHBondContact O-N 3.43Å; Y253-F257 WeakPolarHBondContact O-CB 3.31Å; Y253-F257 PolarHBondContact O-N 3.49Å
254	F	98.9	Very high	98.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-47.3	171.1	-84.5	-108.2	0	0	0	112.1	M164 P219 W250 A251 Q252 K256 F257 V258 V271 T272 M273 L305 L309	M164-F254 HydrophobicContact CE-CB 4.44Å; M164-F254 HydrophobicContact CE-CD1 3.78Å; M164-F254 HydrophobicContact CE-CD2 4.06Å; M164-F254 HydrophobicContact CE-CE1 4.04Å; M164-F254 HydrophobicContact CE-CE2 4.31Å; M164-F254 HydrophobicContact CE-CG 3.82Å; M164-F254 HydrophobicContact CE-CZ 4.33Å; M164-F254 HydrophobicContact SD-CD1 3.92Å; M164-F254 HydrophobicContact SD-CE1 3.77Å; M164-F254 HydrophobicContact SD-CZ 4.31Å; P219-F254 HydrophobicContact CG-CE1 4.25Å; P219-F254 HydrophobicContact CG-CE2 4.06Å; P219-F254 HydrophobicContact CG-CZ 3.48Å; P219-F254 VanDerWaalsContact CG-CZ 3.48Å; W250-F254 HydrophobicContact CD2-CE2 4.25Å; W250-F254 AromaticContact CE2-CE2 3.53Å; W250-F254 HydrophobicContact CH2-CE2 4.36Å; W250-F254 HydrophobicContact CZ2-CD2 4.41Å; W250-F254 AromaticContact CZ2-CE2 3.62Å; W250-F254 HydrophobicContact CZ2-CE2 3.62Å; W250-F254 HydrophobicContact CZ2-CZ 4.37Å; W250-F254 AromaticContact NE1-CE2 3.54Å; W250-F254 WeakPolarHBondContact O-CD2 3.23Å; W250-F254 PolarHBondContact O-N 3.09Å; A251-F254 WeakPolarHBondContact O-CB 3.41Å; A251-F254 PolarHBondContact O-N 3.2Å; Q252-F254 VanDerWaalsContact C-N 3.31Å; Q252-F254 PolarHBondContact O-N 3.36Å; F254-K256 PolarHBondContact O-N 3.46Å; F254-F257 PolarHBondContact O-N 3.11Å; F254-V258 WeakPolarHBondContact O-CG2 3.48Å; F254-V258 PolarHBondContact O-N 2.86Å; F254-V271 HydrophobicContact CD1-CB 4.01Å; F254-V271 HydrophobicContact CD1-CG1 4.16Å; F254-V271 HydrophobicContact CD1-CG2 3.93Å; F254-V271 HydrophobicContact CE1-CB 3.97Å; F254-V271 HydrophobicContact CE1-CG2 4.08Å; F254-T272 VanDerWaalsContact CE1-O 3.3Å; F254-T272 WeakPolarHBondContact CE1-O 3.49Å; F254-M273 WeakPolarHBondContact CZ-O 3.42Å; F254-L305 HydrophobicContact CB-CD1 3.79Å; F254-L305 HydrophobicContact CD1-CD1 3.96Å; F254-L305 HydrophobicContact CD2-CD1 3.85Å; F254-L305 HydrophobicContact CE1-CD1 4.44Å; F254-L305 HydrophobicContact CE2-CD1 4.33Å; F254-L305 HydrophobicContact CG-CD1 3.61Å; F254-L309 HydrophobicContact CB-CD1 4.49Å; F254-L309 HydrophobicContact CB-CD2 4.17Å
255	A	98.8	Very high	98.7	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-48.4	179.2	0	0	0	0	0	111.2	A251 Q252 F257 V258 E259 L309 L312	A251-A255 PolarHBondContact O-N 3.1Å; Q252-A255 PolarHBondContact O-N 3.45Å; A255-F257 PolarHBondContact O-N 3.44Å; A255-V258 PolarHBondContact O-N 2.74Å; A255-E259 VanDerWaalsContact O-CG 3.31Å; A255-E259 WeakPolarHBondContact O-CG 3.24Å; A255-E259 PolarHBondContact O-N 2.6Å; A255-L309 HydrophobicContact CB-CD2 4.15Å; A255-L312 HydrophobicContact CB-CD1 3.84Å
256	K	98.7	Very high	98.7	Very high	63 Å²	63	39.8 Å²	39.8	27%	0.274	19%	0.192	S	C	.	.	H	α-helix	trans	-59.8	-41.9	175.6	-84.6	-168	148.4	98.4	0	113.1	N184 L185 F188 Q252 F254 E259 E260	N184-K256 PolarHBondContact O-NZ 3.26Å; L185-K256 HydrophobicContact CB-CD 3.63Å; L185-K256 HydrophobicContact CD1-CD 3.95Å; L185-K256 HydrophobicContact CG-CD 4.47Å; L185-K256 WeakPolarHBondContact O-CE 3.3Å; L185-K256 PolarHBondContact O-NZ 3.05Å; F188-K256 HydrophobicContact CB-CD 3.81Å; F188-K256 HydrophobicContact CD1-CB 4.02Å; F188-K256 HydrophobicContact CD1-CD 4.06Å; F188-K256 HydrophobicContact CD2-CB 4.22Å; F188-K256 HydrophobicContact CD2-CD 4.19Å; F188-K256 HydrophobicContact CE1-CB 3.89Å; F188-K256 HydrophobicContact CE2-CB 4.05Å; F188-K256 HydrophobicContact CG-CB 4.21Å; F188-K256 HydrophobicContact CG-CD 3.76Å; F188-K256 HydrophobicContact CZ-CB 3.91Å; Q252-K256 PolarHBondContact O-N 2.95Å; F254-K256 PolarHBondContact O-N 3.46Å; K256-E259 PolarHBondContact O-N 3.18Å; K256-E260 WeakPolarHBondContact O-CB 3.3Å; K256-E260 WeakPolarHBondContact O-CG 3.36Å; K256-E260 PolarHBondContact O-N 2.79Å
257	F	98.9	Very high	98.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.1	-48.1	174.9	168.1	-95.7	0	0	0	111.8	I162 M164 Y176 F188 L190 A217 Y253 F254 A255 E259 E260 Y261 I268	I162-F257 HydrophobicContact CG2-CZ 4.24Å; M164-F257 HydrophobicContact CE-CB 3.97Å; M164-F257 HydrophobicContact CE-CD1 4.03Å; M164-F257 HydrophobicContact CE-CG 3.98Å; M164-F257 HydrophobicContact CG-CD1 3.98Å; M164-F257 HydrophobicContact CG-CD2 4.24Å; M164-F257 HydrophobicContact CG-CE1 3.86Å; M164-F257 HydrophobicContact CG-CE2 4.06Å; M164-F257 HydrophobicContact CG-CG 4.17Å; M164-F257 HydrophobicContact CG-CZ 3.88Å; M164-F257 HydrophobicContact SD-CD1 4.11Å; M164-F257 HydrophobicContact SD-CE1 4.36Å; Y176-F257 HydrophobicContact CD2-CD2 4.31Å; Y176-F257 AromaticContact CE2-CD2 3.42Å; Y176-F257 HydrophobicContact CE2-CD2 3.42Å; Y176-F257 VanDerWaalsContact CE2-CD2 3.42Å; Y176-F257 HydrophobicContact CE2-CE2 4.02Å; Y176-F257 HydrophobicContact CE2-CG 4.33Å; F188-F257 HydrophobicContact CZ-CB 4.18Å; L190-F257 HydrophobicContact CD2-CD2 4.29Å; A217-F257 HydrophobicContact CB-CD1 4.3Å; A217-F257 HydrophobicContact CB-CE1 3.31Å; A217-F257 HydrophobicContact CB-CZ 3.69Å; Y253-F257 WeakPolarHBondContact O-CB 3.31Å; Y253-F257 PolarHBondContact O-N 3.49Å; F254-F257 PolarHBondContact O-N 3.11Å; A255-F257 PolarHBondContact O-N 3.44Å; F257-E259 VanDerWaalsContact C-N 3.34Å; F257-E259 PolarHBondContact O-N 3.44Å; F257-E260 PolarHBondContact O-N 2.76Å; F257-Y261 AromaticContact CD2-CD2 3.84Å; F257-Y261 HydrophobicContact CD2-CD2 3.84Å; F257-Y261 AromaticContact CD2-CE2 3.85Å; F257-Y261 HydrophobicContact CD2-CE2 3.85Å; F257-Y261 AromaticContact CE2-CD2 3.44Å; F257-Y261 HydrophobicContact CE2-CD2 3.44Å; F257-Y261 VanDerWaalsContact CE2-CD2 3.44Å; F257-Y261 AromaticContact CE2-CE2 3.17Å; F257-Y261 HydrophobicContact CE2-CE2 3.17Å; F257-Y261 HydrophobicContact CE2-CG 4.3Å; F257-Y261 AromaticContact CE2-CZ 3.83Å; F257-Y261 AromaticContact CZ-CD2 3.82Å; F257-Y261 HydrophobicContact CZ-CD2 3.82Å; F257-Y261 AromaticContact CZ-CE2 3.78Å; F257-Y261 HydrophobicContact CZ-CE2 3.78Å; F257-Y261 HydrophobicContact CZ-CG 4.23Å; F257-Y261 PolarHBondContact O-N 3.35Å; F257-I268 HydrophobicContact CE1-CD1 3.94Å; F257-I268 HydrophobicContact CE1-CG1 3.97Å; F257-I268 HydrophobicContact CZ-CD1 4.25Å
258	V	98.9	Very high	98.7	Very high	10 Å²	10	43 Å²	43	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-44.7	178.2	171.7	0	0	0	0	110.7	F254 A255 A262 I268 V271 L312 V314	F254-V258 WeakPolarHBondContact O-CG2 3.48Å; F254-V258 PolarHBondContact O-N 2.86Å; A255-V258 PolarHBondContact O-N 2.74Å; V258-A262 WeakPolarHBondContact O-CB 3.07Å; V258-A262 PolarHBondContact O-N 2.87Å; V258-I268 HydrophobicContact CG1-CB 4.36Å; V258-I268 HydrophobicContact CG2-CB 4.18Å; V258-I268 HydrophobicContact CG2-CG1 4.34Å; V258-I268 HydrophobicContact CG2-CG2 4.26Å; V258-V271 HydrophobicContact CG2-CG1 4.37Å; V258-L312 HydrophobicContact CB-CD1 4.27Å; V258-L312 HydrophobicContact CG1-CB 4.4Å; V258-L312 HydrophobicContact CG1-CD1 4.19Å; V258-V314 HydrophobicContact CG2-CG2 4.48Å
259	E	98.7	Very high	98.7	Very high	87 Å²	87	39.6 Å²	39.6	41%	0.407	20%	0.2	S	C	.	.	H	α-helix	trans	-65	-42.7	177.8	-71.1	172.6	169	0	0	112.7	A255 K256 F257 A262 K263 L312	A255-E259 VanDerWaalsContact O-CG 3.31Å; A255-E259 WeakPolarHBondContact O-CG 3.24Å; A255-E259 PolarHBondContact O-N 2.6Å; K256-E259 PolarHBondContact O-N 3.18Å; F257-E259 VanDerWaalsContact C-N 3.34Å; F257-E259 PolarHBondContact O-N 3.44Å; E259-A262 WeakPolarHBondContact O-CB 3.42Å; E259-A262 PolarHBondContact O-N 3.34Å; E259-K263 WeakPolarHBondContact O-CG 3.04Å; E259-K263 PolarHBondContact O-N 2.94Å; E259-L312 HydrophobicContact CG-CD1 4.49Å; E259-L312 HydrophobicContact CG-CD2 4.21Å
260	E	98.8	Very high	98.7	Very high	35 Å²	35	39.2 Å²	39.2	16%	0.164	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-40.9	178.3	-77.5	-55.3	130.1	0	0	112	F188 L190 K256 F257 A262 K263 R264	F188-E260 HydrophobicContact CD1-CG 4.4Å; F188-E260 HydrophobicContact CE1-CG 3.91Å; L190-E260 HydrophobicContact CD1-CB 4.01Å; L190-E260 HydrophobicContact CD2-CB 4.06Å; L190-E260 HydrophobicContact CG-CB 3.94Å; L190-E260 HydrophobicContact CG-CG 4.43Å; K256-E260 WeakPolarHBondContact O-CB 3.3Å; K256-E260 WeakPolarHBondContact O-CG 3.36Å; K256-E260 PolarHBondContact O-N 2.79Å; F257-E260 PolarHBondContact O-N 2.76Å; E260-A262 VanDerWaalsContact C-N 3.35Å; E260-K263 PolarHBondContact O-N 3.41Å; E260-K263 IonicContact OE1-NZ 3.96Å; E260-K263 PolarHBondContact OE1-NZ 2.86Å; E260-R264 PolarHBondContact O-NH1 2.04Å; E260-R264 IonicContact OE2-CZ 2.92Å; E260-R264 IonicContact OE2-NH1 3.48Å; E260-R264 PolarHBondContact OE2-NH1 3.42Å; E260-R264 IonicContact OE2-NH2 2.65Å; E260-R264 PolarHBondContact OE2-NH2 3.47Å
261	Y	98.8	Very high	98.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-38.7	173.2	-92.3	-110.7	0	0	0	111.6	I162 L190 D194 I199 I202 F257 K263 R264 I266 I268	I162-Y261 HydrophobicContact CD1-CD1 4.31Å; I162-Y261 HydrophobicContact CD1-CE1 3.94Å; I162-Y261 HydrophobicContact CG2-CE1 4.24Å; L190-Y261 HydrophobicContact CD1-CD2 3.92Å; L190-Y261 HydrophobicContact CD1-CE2 3.8Å; L190-Y261 HydrophobicContact CD2-CD2 4.13Å; L190-Y261 HydrophobicContact CD2-CE2 3.87Å; D194-Y261 PolarHBondContact OD1-OH 3.19Å; I199-Y261 HydrophobicContact CG1-CE1 4.21Å; I202-Y261 HydrophobicContact CD1-CE1 4.26Å; F257-Y261 AromaticContact CD2-CD2 3.84Å; F257-Y261 HydrophobicContact CD2-CD2 3.84Å; F257-Y261 AromaticContact CD2-CE2 3.85Å; F257-Y261 HydrophobicContact CD2-CE2 3.85Å; F257-Y261 AromaticContact CE2-CD2 3.44Å; F257-Y261 HydrophobicContact CE2-CD2 3.44Å; F257-Y261 VanDerWaalsContact CE2-CD2 3.44Å; F257-Y261 AromaticContact CE2-CE2 3.17Å; F257-Y261 HydrophobicContact CE2-CE2 3.17Å; F257-Y261 HydrophobicContact CE2-CG 4.3Å; F257-Y261 AromaticContact CE2-CZ 3.83Å; F257-Y261 AromaticContact CZ-CD2 3.82Å; F257-Y261 HydrophobicContact CZ-CD2 3.82Å; F257-Y261 AromaticContact CZ-CE2 3.78Å; F257-Y261 HydrophobicContact CZ-CE2 3.78Å; F257-Y261 HydrophobicContact CZ-CG 4.23Å; F257-Y261 PolarHBondContact O-N 3.35Å; Y261-K263 PolarHBondContact O-N 3.5Å; Y261-R264 CarbonylContact O-C 3.44Å; Y261-R264 WeakPolarHBondContact O-CA 3.41Å; Y261-R264 WeakPolarHBondContact O-CB 3.36Å; Y261-R264 PolarHBondContact O-N 3.18Å; Y261-I266 CarbonylContact C-O 3.58Å; Y261-I266 HydrophobicContact CD1-CB 4.02Å; Y261-I266 HydrophobicContact CD1-CD1 4.16Å; Y261-I266 HydrophobicContact CD1-CG2 3.77Å; Y261-I266 HydrophobicContact CE1-CD1 4.41Å; Y261-I266 PolarHBondContact O-N 3.41Å; Y261-I268 HydrophobicContact CD1-CD1 4.02Å; Y261-I268 HydrophobicContact CG-CD1 4.17Å
262	A	98.6	Very high	98.8	Very high	49 Å²	49	39.1 Å²	39.1	41%	0.405	20%	0.198	S	C	.	.	H	α-helix	trans	-61.6	-40.1	175.5	0	0	0	0	0	112.6	V258 E259 E260 R264 N265 I266	V258-A262 WeakPolarHBondContact O-CB 3.07Å; V258-A262 PolarHBondContact O-N 2.87Å; E259-A262 WeakPolarHBondContact O-CB 3.42Å; E259-A262 PolarHBondContact O-N 3.34Å; E260-A262 VanDerWaalsContact C-N 3.35Å; A262-R264 PolarHBondContact O-N 3.33Å; A262-N265 PolarHBondContact O-N 2.91Å; A262-I266 WeakPolarHBondContact CA-O 3.49Å; A262-I266 PolarHBondContact N-O 3.46Å
263	K	98.6	Very high	98.7	Very high	143 Å²	143	34.5 Å²	34.5	62%	0.622	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.5	173.1	-72.4	171.3	-169.9	173.4	0	113.4	E259 E260 Y261	E259-K263 WeakPolarHBondContact O-CG 3.04Å; E259-K263 PolarHBondContact O-N 2.94Å; E260-K263 PolarHBondContact O-N 3.41Å; E260-K263 IonicContact OE1-NZ 3.96Å; E260-K263 PolarHBondContact OE1-NZ 2.86Å; Y261-K263 PolarHBondContact O-N 3.5Å
264	R	98.5	Very high	98.7	Very high	43 Å²	43	34.5 Å²	34.5	16%	0.162	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	14.1	178.6	-66.9	158.3	-179.2	72.2	-0.9	112.3	Y195 K203 E260 Y261 A262 I266	Y195-R264 VanDerWaalsContact CE1-NE 3.3Å; Y195-R264 PolarHBondContact OH-NH2 3.26Å; K203-R264 WeakPolarHBondContact CE-O 3.18Å; K203-R264 PolarHBondContact NZ-O 2.91Å; E260-R264 PolarHBondContact O-NH1 2.04Å; E260-R264 IonicContact OE2-CZ 2.92Å; E260-R264 IonicContact OE2-NH1 3.48Å; E260-R264 PolarHBondContact OE2-NH1 3.42Å; E260-R264 IonicContact OE2-NH2 2.65Å; E260-R264 PolarHBondContact OE2-NH2 3.47Å; Y261-R264 CarbonylContact O-C 3.44Å; Y261-R264 WeakPolarHBondContact O-CA 3.41Å; Y261-R264 WeakPolarHBondContact O-CB 3.36Å; Y261-R264 PolarHBondContact O-N 3.18Å; A262-R264 PolarHBondContact O-N 3.33Å; R264-I266 VanDerWaalsContact C-N 3.3Å
265	N	98.3	Very high	98.7	Very high	134 Å²	134	34.6 Å²	34.6	72%	0.717	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	30.5	-175.6	-56.8	-32.7	0	0	0	113.7	A262	A262-N265 PolarHBondContact O-N 2.91Å
266	I	98.7	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.			trans	-114.9	108.6	174.1	-61.3	171	0	0	0	108.7	I199 I202 K203 L215 Y261 A262 R264	I199-I266 HydrophobicContact CB-CD1 4.22Å; I199-I266 HydrophobicContact CG1-CD1 3.94Å; I199-I266 HydrophobicContact CG2-CD1 3.97Å; I202-I266 HydrophobicContact CB-CD1 4.2Å; I202-I266 HydrophobicContact CG2-CD1 3.81Å; I202-I266 HydrophobicContact CG2-CG1 4.08Å; I202-I266 HydrophobicContact CG2-CG2 4Å; K203-I266 HydrophobicContact CG-CD1 4.36Å; K203-I266 HydrophobicContact CG-CG1 4.47Å; L215-I266 HydrophobicContact CD1-CG2 3.33Å; Y261-I266 CarbonylContact C-O 3.58Å; Y261-I266 HydrophobicContact CD1-CB 4.02Å; Y261-I266 HydrophobicContact CD1-CD1 4.16Å; Y261-I266 HydrophobicContact CD1-CG2 3.77Å; Y261-I266 HydrophobicContact CE1-CD1 4.41Å; Y261-I266 PolarHBondContact O-N 3.41Å; A262-I266 WeakPolarHBondContact CA-O 3.49Å; A262-I266 PolarHBondContact N-O 3.46Å; R264-I266 VanDerWaalsContact C-N 3.3Å
267	T	98.5	Very high	98.7	Very high	108 Å²	108	32.3 Å²	32.3	66%	0.663	17%	0.166	S	C	*	.			trans	-83.3	121.3	177.2	-55.6	0	0	0	0	110.4	W269	T267-W269 PolarHBondContact O-N 2.82Å
268	I	98.9	Very high	98.7	Very high	6 Å²	6	34 Å²	34	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	114.8	170	-54.5	-56.9	0	0	0	108.5	I162 A217 F257 V258 Y261 A270 V271 V314	I162-I268 HydrophobicContact CD1-CD1 4.02Å; A217-I268 HydrophobicContact CB-CG2 4.43Å; F257-I268 HydrophobicContact CE1-CD1 3.94Å; F257-I268 HydrophobicContact CE1-CG1 3.97Å; F257-I268 HydrophobicContact CZ-CD1 4.25Å; V258-I268 HydrophobicContact CG1-CB 4.36Å; V258-I268 HydrophobicContact CG2-CB 4.18Å; V258-I268 HydrophobicContact CG2-CG1 4.34Å; V258-I268 HydrophobicContact CG2-CG2 4.26Å; Y261-I268 HydrophobicContact CD1-CD1 4.02Å; Y261-I268 HydrophobicContact CG-CD1 4.17Å; I268-A270 WeakPolarHBondContact CG2-O 3.39Å; I268-V271 HydrophobicContact CG2-CG1 3.95Å; I268-V314 HydrophobicContact CG2-CG2 4.07Å
269	W	98.8	Very high	98.7	Very high	43 Å²	43	33.9 Å²	33.9	16%	0.163	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-38.3	179.1	168.6	73.9	0	0	0	112.2	V120 M159 K214 L215 F216 T267 K315 M317 F345 I374	V120-W269 HydrophobicContact CG1-CH2 3.58Å; V120-W269 HydrophobicContact CG1-CZ2 3.77Å; V120-W269 HydrophobicContact CG1-CZ3 4.31Å; M159-W269 HydrophobicContact CE-CH2 4.43Å; M159-W269 HydrophobicContact CE-CZ3 3.81Å; K214-W269 HydrophobicContact CB-CB 4.15Å; K214-W269 HydrophobicContact CB-CD2 3.83Å; K214-W269 HydrophobicContact CB-CE3 3.94Å; K214-W269 HydrophobicContact CB-CG 3.9Å; K214-W269 HydrophobicContact CD-CD2 3.91Å; K214-W269 HydrophobicContact CD-CE3 4.41Å; K214-W269 HydrophobicContact CD-CG 4.24Å; K214-W269 HydrophobicContact CD-CZ2 4Å; K214-W269 HydrophobicContact CG-CD2 4.15Å; K214-W269 HydrophobicContact CG-CG 4.06Å; L215-W269 WeakPolarHBondContact O-CA 3.49Å; L215-W269 WeakPolarHBondContact O-CB 3.44Å; L215-W269 PolarHBondContact O-N 3.33Å; F216-W269 HydrophobicContact CB-CE3 4.3Å; T267-W269 PolarHBondContact O-N 2.82Å; W269-K315 HydrophobicContact CZ2-CD 3.83Å; W269-K315 PolarHBondContact O-N 3.06Å; W269-M317 HydrophobicContact CE3-CE 4.21Å; W269-M317 HydrophobicContact CH2-CE 3.81Å; W269-M317 HydrophobicContact CZ3-CE 3.3Å; W269-F345 AromaticContact CH2-CD2 3.99Å; W269-F345 HydrophobicContact CH2-CD2 3.99Å; W269-F345 HydrophobicContact CH2-CE1 4.5Å; W269-F345 AromaticContact CH2-CE2 3.31Å; W269-F345 HydrophobicContact CH2-CE2 3.31Å; W269-F345 AromaticContact CH2-CZ 3.65Å; W269-F345 HydrophobicContact CH2-CZ 3.65Å; W269-F345 HydrophobicContact CZ2-CD2 4.4Å; W269-F345 AromaticContact CZ2-CE2 3.34Å; W269-F345 HydrophobicContact CZ2-CE2 3.34Å; W269-F345 AromaticContact CZ2-CZ 3.55Å; W269-F345 HydrophobicContact CZ2-CZ 3.55Å; W269-F345 HydrophobicContact CZ3-CE2 4.41Å; W269-I374 HydrophobicContact CH2-CD1 3.85Å; W269-I374 HydrophobicContact CZ3-CD1 4.33Å
270	A	98.9	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	164.2	-179.9	0	0	0	0	0	112.8	L215 F216 A217 I268 K315 M317	L215-A270 PolarHBondContact O-N 3.46Å; F216-A270 CarbonylContact C-O 3.53Å; F216-A270 WeakPolarHBondContact CA-O 3.32Å; F216-A270 HydrophobicContact CB-CB 3.85Å; F216-A270 WeakPolarHBondContact CB-O 3.35Å; A217-A270 PolarHBondContact N-O 2.83Å; I268-A270 WeakPolarHBondContact CG2-O 3.39Å; A270-K315 CarbonylContact C-O 3.59Å; A270-K315 WeakPolarHBondContact CA-O 3.47Å; A270-K315 HydrophobicContact CB-CB 3.83Å; A270-M317 HydrophobicContact CB-CE 3.63Å; A270-M317 HydrophobicContact CB-CG 4.47Å
271	V	98.9	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.6	168.1	-62.8	0	0	0	0	110.3	A217 F254 V258 I268 L309 V314 K315 I316 M317	A217-V271 HydrophobicContact CB-CG1 4.34Å; A217-V271 CarbonylContact O-C 3.48Å; A217-V271 WeakPolarHBondContact O-CA 3.44Å; F254-V271 HydrophobicContact CD1-CB 4.01Å; F254-V271 HydrophobicContact CD1-CG1 4.16Å; F254-V271 HydrophobicContact CD1-CG2 3.93Å; F254-V271 HydrophobicContact CE1-CB 3.97Å; F254-V271 HydrophobicContact CE1-CG2 4.08Å; V258-V271 HydrophobicContact CG2-CG1 4.37Å; I268-V271 HydrophobicContact CG2-CG1 3.95Å; V271-L309 HydrophobicContact CG2-CD1 3.69Å; V271-V314 HydrophobicContact CG1-CG2 4.05Å; V271-V314 HydrophobicContact CG2-CG2 4.48Å; V271-K315 PolarHBondContact N-O 3.16Å; V271-I316 HydrophobicContact CG2-CG1 4.21Å; V271-I316 CarbonylContact O-C 3.54Å; V271-I316 WeakPolarHBondContact O-CA 3.32Å; V271-M317 PolarHBondContact O-N 3.24Å
272	T	98.9	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	149	162.4	74	0	0	0	0	108.4	F216 A217 S218 P219 F254 Q274 M317 D320 A347	F216-T272 HydrophobicContact CD2-CG2 4.21Å; F216-T272 HydrophobicContact CE2-CG2 4.39Å; A217-T272 PolarHBondContact O-N 3.23Å; S218-T272 WeakPolarHBondContact CA-OG1 3.36Å; S218-T272 WeakPolarHBondContact CB-OG1 3.43Å; S218-T272 PolarHBondContact OG-OG1 3.27Å; P219-T272 WeakPolarHBondContact CD-O 3.3Å; F254-T272 VanDerWaalsContact CE1-O 3.3Å; F254-T272 WeakPolarHBondContact CE1-O 3.49Å; T272-Q274 VanDerWaalsContact C-N 3.32Å; T272-Q274 PolarHBondContact O-N 3.17Å; T272-M317 HydrophobicContact CG2-CB 3.89Å; T272-M317 HydrophobicContact CG2-CG 4.29Å; T272-M317 HydrophobicContact CG2-SD 3.99Å; T272-D320 VanDerWaalsContact CB-OD2 3.23Å; T272-D320 WeakPolarHBondContact CB-OD2 3.46Å; T272-D320 HydrophobicContact CG2-CB 3.94Å; T272-D320 VanDerWaalsContact CG2-CG 3.44Å; T272-D320 WeakPolarHBondContact CG2-OD1 3.43Å; T272-D320 WeakPolarHBondContact CG2-OD2 3.17Å; T272-D320 PolarHBondContact OG1-OD2 2.66Å; T272-A347 HydrophobicContact CG2-CB 4.04Å
273	M	98.4	Very high	98.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-71.8	-28.7	-172.9	-59.5	-176	56.7	0	0	113.5	F254 Q297 F300 L301 L305 I316 M317 I318	F254-M273 WeakPolarHBondContact CZ-O 3.42Å; M273-Q297 HydrophobicContact CB-CG 4.34Å; M273-Q297 HydrophobicContact CE-CG 3.55Å; M273-Q297 VanDerWaalsContact CE-O 3.3Å; M273-Q297 WeakPolarHBondContact CE-O 3.23Å; M273-Q297 HydrophobicContact CG-CG 4.47Å; M273-Q297 HydrophobicContact SD-CG 3.42Å; M273-Q297 WeakPolarHBondContact SD-CG 3.23Å; M273-F300 HydrophobicContact CE-CB 4.24Å; M273-F300 HydrophobicContact CE-CD1 3.31Å; M273-F300 HydrophobicContact CE-CE1 3.97Å; M273-F300 HydrophobicContact CE-CG 4.1Å; M273-L301 HydrophobicContact CE-CB 3.72Å; M273-L301 HydrophobicContact CE-CD1 4.39Å; M273-L301 HydrophobicContact SD-CB 3.96Å; M273-L301 HydrophobicContact SD-CD1 4.05Å; M273-L301 HydrophobicContact SD-CD2 4.27Å; M273-L301 HydrophobicContact SD-CG 4.33Å; M273-L305 HydrophobicContact CB-CD2 4.24Å; M273-L305 HydrophobicContact CE-CD2 3.97Å; M273-L305 HydrophobicContact CG-CD2 3.64Å; M273-L305 HydrophobicContact SD-CD2 4.35Å; M273-I316 HydrophobicContact CG-CG2 3.74Å; M273-I316 HydrophobicContact SD-CG2 4.19Å; M273-M317 PolarHBondContact N-O 3.27Å; M273-I318 HydrophobicContact SD-CG2 4.18Å
274	Q	98.8	Very high	98.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.205	C	C	.	.			trans	-172.9	131.7	-177.1	173.1	56.6	45.8	0	0	108.5	P219 W220 T272 P277 M290 F292 D320	P219-Q274 PolarHBondContact O-NE2 3.09Å; W220-Q274 PolarHBondContact O-NE2 2.81Å; T272-Q274 VanDerWaalsContact C-N 3.32Å; T272-Q274 PolarHBondContact O-N 3.17Å; Q274-P277 HydrophobicContact CB-CB 4.24Å; Q274-P277 HydrophobicContact CG-CB 3.85Å; Q274-P277 WeakPolarHBondContact O-CD 3.48Å; Q274-M290 WeakPolarHBondContact CG-O 3.26Å; Q274-F292 HydrophobicContact CB-CD2 3.76Å; Q274-F292 HydrophobicContact CB-CE2 4.05Å; Q274-F292 HydrophobicContact CG-CD2 3.99Å; Q274-F292 HydrophobicContact CG-CE2 4.47Å; Q274-D320 WeakPolarHBondContact O-CB 2.97Å
275	N	98.9	Very high	98.3	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	20%	0.202	C	C	.	.	S	Bend	trans	-67.1	131.3	167.8	-175.3	73.4	0	0	0	111.3	R161 S218 P219 W220 H349 E377	R161-N275 PolarHBondContact NH2-OD1 3.46Å; S218-N275 WeakPolarHBondContact OG-CB 3.25Å; P219-N275 WeakPolarHBondContact O-CB 3.02Å; P219-N275 PolarHBondContact O-N 2.92Å; W220-N275 HydrophobicContact CD2-CB 3.86Å; W220-N275 VanDerWaalsContact CE2-CG 3.45Å; W220-N275 VanDerWaalsContact CE2-ND2 3.26Å; W220-N275 HydrophobicContact CE3-CB 3.98Å; W220-N275 HydrophobicContact CG-CB 4.29Å; W220-N275 HydrophobicContact CH2-CB 4.25Å; W220-N275 HydrophobicContact CZ2-CB 4.21Å; W220-N275 VanDerWaalsContact CZ2-CG 3.41Å; W220-N275 WeakPolarHBondContact CZ2-OD1 3.46Å; W220-N275 HydrophobicContact CZ3-CB 4.19Å; W220-N275 PolarHBondContact NE1-ND2 3.47Å; N275-H349 PolarHBondContact OD1-CE1 3.06Å; N275-H349 VanDerWaalsContact OD1-CE1 3.25Å; N275-E377 PolarHBondContact OD1-OE2 3.02Å
276	E	98.5	Very high	98.2	Very high	17 Å²	17	39 Å²	39	8%	0.079	19%	0.192	C	C	.	.	S	Bend	trans	39.5	58.4	176.5	-59.9	-165.1	153.7	0	0	113.9	T278 T279 Y285 D320 D321 H349	E276-T278 PolarHBondContact O-N 3.25Å; E276-T279 HydrophobicContact CB-CG2 3.69Å; E276-T279 WeakPolarHBondContact O-CB 3.38Å; E276-T279 PolarHBondContact O-N 2.7Å; E276-T279 PolarHBondContact O-OG1 2.66Å; E276-T279 WeakPolarHBondContact OE2-CG2 3.35Å; E276-Y285 PolarHBondContact OE2-OH 2.97Å; E276-D320 WeakPolarHBondContact CA-O 3.15Å; E276-D320 PolarHBondContact N-O 3.31Å; E276-D321 VanDerWaalsContact CA-OD2 3.3Å; E276-D321 WeakPolarHBondContact CA-OD2 3.09Å; E276-H349 VanDerWaalsContact CG-CE1 3.47Å; E276-H349 WeakPolarHBondContact CG-CE1 3.41Å; E276-H349 WeakPolarHBondContact CG-ND1 3.44Å; E276-H349 IonicContact OE1-CE1 3.8Å; E276-H349 IonicContact OE1-ND1 3.16Å; E276-H349 PolarHBondContact OE1-ND1 2.84Å; E276-H349 VanDerWaalsContact OE1-ND1 3.09Å
277	P	98.7	Very high	98.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.9	-172.6	24.8	-37.7	0	0	0	114.5	Q274 G291 F292 L319 D321 W329	Q274-P277 HydrophobicContact CB-CB 4.24Å; Q274-P277 HydrophobicContact CG-CB 3.85Å; Q274-P277 WeakPolarHBondContact O-CD 3.48Å; P277-G291 WeakPolarHBondContact O-CA 3.34Å; P277-F292 HydrophobicContact CB-CB 3.77Å; P277-F292 PolarHBondContact O-N 3.13Å; P277-L319 WeakPolarHBondContact CD-O 3.37Å; P277-L319 VanDerWaalsContact CG-O 3.23Å; P277-L319 WeakPolarHBondContact CG-O 3.48Å; P277-D321 WeakPolarHBondContact CD-OD2 3.46Å; P277-W329 HydrophobicContact CB-CH2 3.75Å; P277-W329 HydrophobicContact CB-CZ2 4.16Å; P277-W329 HydrophobicContact CG-CH2 3.35Å; P277-W329 HydrophobicContact CG-CZ2 3.6Å; P277-W329 HydrophobicContact CG-CZ3 4.23Å
278	T	98.4	Very high	98.2	Very high	36 Å²	36	34.8 Å²	34.8	22%	0.221	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-31.1	173.8	61	0	0	0	0	113.1	E276 G280 F281 D321 M325 W329	E276-T278 PolarHBondContact O-N 3.25Å; T278-G280 PolarHBondContact O-N 2.77Å; T278-F281 PolarHBondContact O-N 3.48Å; T278-F281 VanDerWaalsContact O-N 3.09Å; T278-D321 WeakPolarHBondContact CB-OD2 3.27Å; T278-D321 VanDerWaalsContact CG2-OD2 3.26Å; T278-D321 WeakPolarHBondContact CG2-OD2 3.42Å; T278-D321 PolarHBondContact N-OD2 2.9Å; T278-D321 VanDerWaalsContact N-OD2 3.13Å; T278-D321 PolarHBondContact OG1-OD2 3.06Å; T278-M325 HydrophobicContact CG2-CE 3.22Å; T278-M325 HydrophobicContact CG2-CG 4.15Å; T278-M325 HydrophobicContact CG2-SD 3.79Å; T278-W329 HydrophobicContact CG2-CZ3 3.86Å
279	T	98.2	Very high	98.1	Very high	8 Å²	8	34.5 Å²	34.5	5%	0.049	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-66.5	-24.6	-175.9	61.8	0	0	0	0	112.5	E276 F281 I282 Y285 T289	E276-T279 HydrophobicContact CB-CG2 3.69Å; E276-T279 WeakPolarHBondContact O-CB 3.38Å; E276-T279 PolarHBondContact O-N 2.7Å; E276-T279 PolarHBondContact O-OG1 2.66Å; E276-T279 WeakPolarHBondContact OE2-CG2 3.35Å; T279-F281 PolarHBondContact O-N 3.44Å; T279-F281 VanDerWaalsContact O-N 3.08Å; T279-I282 HydrophobicContact CG2-CD1 4.27Å; T279-I282 WeakPolarHBondContact O-CB 3.45Å; T279-I282 PolarHBondContact O-N 3.1Å; T279-Y285 VanDerWaalsContact CB-CE2 3.49Å; T279-Y285 HydrophobicContact CG2-CD2 4.24Å; T279-Y285 HydrophobicContact CG2-CE1 4.42Å; T279-Y285 HydrophobicContact CG2-CE2 3.49Å; T279-Y285 VanDerWaalsContact CG2-CE2 3.49Å; T279-T289 VanDerWaalsContact C-OG1 3.28Å; T279-T289 PolarHBondContact OG1-OG1 3.09Å
280	G	98.2	Very high	98.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-68.7	-5.7	175.7	0	0	0	0	0	114.2	N235 G236 T278 T289	N235-G280 CarbonylContact C-O 3.58Å; N235-G280 WeakPolarHBondContact CA-O 3.31Å; N235-G280 WeakPolarHBondContact CB-O 3.16Å; G236-G280 PolarHBondContact N-O 3.49Å; T278-G280 PolarHBondContact O-N 2.77Å; G280-T289 VanDerWaalsContact CA-OG1 3.25Å; G280-T289 WeakPolarHBondContact CA-OG1 3.3Å; G280-T289 PolarHBondContact N-OG1 2.65Å
281	F	98.3	Very high	98.1	Very high	105 Å²	105	32.5 Å²	32.5	46%	0.461	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-100.8	-5	169.4	-56	-69.4	0	0	0	113.4	T237 T278 T279 Y283 F292 M296	T237-F281 HydrophobicContact CG2-CE1 3.74Å; T237-F281 HydrophobicContact CG2-CZ 4.23Å; T278-F281 PolarHBondContact O-N 3.48Å; T278-F281 VanDerWaalsContact O-N 3.09Å; T279-F281 PolarHBondContact O-N 3.44Å; T279-F281 VanDerWaalsContact O-N 3.08Å; F281-Y283 PolarHBondContact O-N 2.99Å; F281-F292 VanDerWaalsContact CE2-C 3.44Å; F281-F292 WeakPolarHBondContact CE2-O 3.2Å; F281-M296 HydrophobicContact CZ-SD 4.35Å
282	I	97.9	Very high	98.1	Very high	86 Å²	86	32.6 Å²	32.6	44%	0.441	16%	0.156	S	C	.	.	S	Bend	trans	-81.6	118.3	178.3	-60.1	176.4	0	0	0	109.1	N235 T279 Q284 Y285	N235-I282 WeakPolarHBondContact CB-O 3.37Å; T279-I282 HydrophobicContact CG2-CD1 4.27Å; T279-I282 WeakPolarHBondContact O-CB 3.45Å; T279-I282 PolarHBondContact O-N 3.1Å; I282-Q284 PolarHBondContact O-N 3.47Å; I282-Y285 HydrophobicContact CB-CD2 4.09Å; I282-Y285 HydrophobicContact CD1-CD2 4.06Å; I282-Y285 HydrophobicContact CD1-CE2 4.3Å; I282-Y285 HydrophobicContact CG2-CD2 4.22Å; I282-Y285 PolarHBondContact O-N 2.91Å
283	Y	96.6	Very high	98.1	Very high	167 Å²	167	34.2 Å²	34.2	66%	0.655	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	129.5	178.3	-177.6	-109.7	0	0	0	111	F281 Y285	F281-Y283 PolarHBondContact O-N 2.99Å; Y283-Y285 PolarHBondContact O-N 2.92Å
284	Q	95.3	Very high	98.1	Very high	135 Å²	135	35.3 Å²	35.3	63%	0.631	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	33.5	-179	-65.3	-179.1	-16.2	0	0	114.9	N235 I282	N235-Q284 PolarHBondContact OD1-N 3.38Å; I282-Q284 PolarHBondContact O-N 3.47Å
285	Y	97.9	Very high	98.1	Very high	29 Å²	29	37.8 Å²	37.8	11%	0.114	19%	0.19	C	C	.	.			trans	-50.8	130.5	171.3	-166.2	-98.9	0	0	0	111.2	G234 E276 T279 I282 Y283 F287 T289	G234-Y285 WeakPolarHBondContact CA-O 3.28Å; G234-Y285 PolarHBondContact N-O 3.39Å; E276-Y285 PolarHBondContact OE2-OH 2.97Å; T279-Y285 VanDerWaalsContact CB-CE2 3.49Å; T279-Y285 HydrophobicContact CG2-CD2 4.24Å; T279-Y285 HydrophobicContact CG2-CE1 4.42Å; T279-Y285 HydrophobicContact CG2-CE2 3.49Å; T279-Y285 VanDerWaalsContact CG2-CE2 3.49Å; I282-Y285 HydrophobicContact CB-CD2 4.09Å; I282-Y285 HydrophobicContact CD1-CD2 4.06Å; I282-Y285 HydrophobicContact CD1-CE2 4.3Å; I282-Y285 HydrophobicContact CG2-CD2 4.22Å; I282-Y285 PolarHBondContact O-N 2.91Å; Y283-Y285 PolarHBondContact O-N 2.92Å; Y285-F287 HydrophobicContact CD1-CD2 4.36Å; Y285-F287 HydrophobicContact CD1-CE2 4.48Å; Y285-F287 HydrophobicContact CE1-CD1 4.21Å; Y285-F287 AromaticContact CE1-CD2 3.54Å; Y285-F287 HydrophobicContact CE1-CD2 3.54Å; Y285-F287 HydrophobicContact CE1-CE1 4.02Å; Y285-F287 AromaticContact CE1-CE2 3.32Å; Y285-F287 HydrophobicContact CE1-CE2 3.32Å; Y285-F287 HydrophobicContact CE1-CG 4.01Å; Y285-F287 AromaticContact CE1-CZ 3.59Å; Y285-F287 HydrophobicContact CE1-CZ 3.59Å; Y285-F287 AromaticContact CZ-CE2 3.66Å; Y285-F287 AromaticContact CZ-CZ 3.51Å; Y285-F287 PolarHBondContact O-N 2.69Å; Y285-F287 WeakPolarHBondContact OH-CE2 3.37Å; Y285-F287 WeakPolarHBondContact OH-CZ 3.46Å; Y285-T289 HydrophobicContact CD1-CG2 3.63Å; Y285-T289 HydrophobicContact CE1-CG2 4.48Å; Y285-T289 HydrophobicContact CG-CG2 4.11Å
286	P	96.7	Very high	98.1	Very high	76 Å²	76	40.4 Å²	40.4	49%	0.494	20%	0.203	S	C	.	.	S	Bend	trans	-72.5	-26.4	-157.5	20.8	-29.7	0	0	0	114.6	V432	P286-V432 WeakPolarHBondContact O-CG1 3.27Å
287	F	97.6	Very high	98.1	Very high	18 Å²	18	39.6 Å²	39.6	8%	0.079	20%	0.2	C	C	.	.	S	Bend	trans	-129.6	-173.3	-176.2	50.4	-95.4	0	0	0	112.6	D168 Y233 Y285 T289 W431 V432	D168-F287 HydrophobicContact CB-CB 3.96Å; D168-F287 HydrophobicContact CB-CD1 4.14Å; D168-F287 HydrophobicContact CB-CD2 3.67Å; D168-F287 HydrophobicContact CB-CE2 4.09Å; D168-F287 HydrophobicContact CB-CG 3.67Å; D168-F287 HydrophobicContact CB-CZ 4.49Å; Y233-F287 VanDerWaalsContact CA-O 3.28Å; Y233-F287 WeakPolarHBondContact CA-O 3.22Å; Y233-F287 VanDerWaalsContact CB-C 3.43Å; Y233-F287 WeakPolarHBondContact CB-O 3.16Å; Y285-F287 HydrophobicContact CD1-CD2 4.36Å; Y285-F287 HydrophobicContact CD1-CE2 4.48Å; Y285-F287 HydrophobicContact CE1-CD1 4.21Å; Y285-F287 AromaticContact CE1-CD2 3.54Å; Y285-F287 HydrophobicContact CE1-CD2 3.54Å; Y285-F287 HydrophobicContact CE1-CE1 4.02Å; Y285-F287 AromaticContact CE1-CE2 3.32Å; Y285-F287 HydrophobicContact CE1-CE2 3.32Å; Y285-F287 HydrophobicContact CE1-CG 4.01Å; Y285-F287 AromaticContact CE1-CZ 3.59Å; Y285-F287 HydrophobicContact CE1-CZ 3.59Å; Y285-F287 AromaticContact CZ-CE2 3.66Å; Y285-F287 AromaticContact CZ-CZ 3.51Å; Y285-F287 PolarHBondContact O-N 2.69Å; Y285-F287 WeakPolarHBondContact OH-CE2 3.37Å; Y285-F287 WeakPolarHBondContact OH-CZ 3.46Å; F287-T289 PolarHBondContact O-N 3.07Å; F287-W431 HydrophobicContact CB-CZ2 3.79Å; F287-V432 HydrophobicContact CB-CG1 4.08Å; F287-V432 HydrophobicContact CB-CG2 3.97Å; F287-V432 HydrophobicContact CD1-CG2 3.85Å; F287-V432 HydrophobicContact CG-CG2 4.3Å
288	Q	98.4	Very high	98.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-52.7	128.9	-176.5	-61.5	94.5	-43.2	0	0	110.8	S166 C167 L173 W220 M232	S166-Q288 PolarHBondContact OG-NE2 3.2Å; C167-Q288 PolarHBondContact O-NE2 3.21Å; C167-Q288 PolarHBondContact O-OE1 2.87Å; L173-Q288 HydrophobicContact CD2-CG 3.41Å; L173-Q288 VanDerWaalsContact CD2-CG 3.41Å; W220-Q288 HydrophobicContact CB-CB 3.5Å; W220-Q288 VanDerWaalsContact CB-CB 3.5Å; W220-Q288 HydrophobicContact CG-CB 4.27Å; M232-Q288 HydrophobicContact CB-CG 4.22Å; M232-Q288 HydrophobicContact CE-CG 4.28Å; M232-Q288 WeakPolarHBondContact O-CA 3.43Å
289	T	98.6	Very high	98.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.			trans	-157.5	159.9	178.4	-179.3	0	0	0	0	110.4	W220 S221 K227 M232 G234 T279 G280 Y285 F287	W220-T289 CarbonylContact O-C 3.22Å; W220-T289 WeakPolarHBondContact O-CA 3.49Å; W220-T289 PolarHBondContact O-N 2.74Å; S221-T289 PolarHBondContact OG-O 3.21Å; K227-T289 WeakPolarHBondContact CE-O 3.31Å; K227-T289 PolarHBondContact NZ-O 2.96Å; M232-T289 PolarHBondContact O-N 3.27Å; G234-T289 VanDerWaalsContact O-CG2 3.29Å; G234-T289 WeakPolarHBondContact O-CG2 3.4Å; T279-T289 VanDerWaalsContact C-OG1 3.28Å; T279-T289 PolarHBondContact OG1-OG1 3.09Å; G280-T289 VanDerWaalsContact CA-OG1 3.25Å; G280-T289 WeakPolarHBondContact CA-OG1 3.3Å; G280-T289 PolarHBondContact N-OG1 2.65Å; Y285-T289 HydrophobicContact CD1-CG2 3.63Å; Y285-T289 HydrophobicContact CE1-CG2 4.48Å; Y285-T289 HydrophobicContact CG-CG2 4.11Å; F287-T289 PolarHBondContact O-N 3.07Å
290	M	98.6	Very high	98.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.			trans	-151.2	134.8	167.7	-178.1	176.8	66.4	0	0	111.1	W220 A222 K227 L238 W250 Q274 F292	W220-M290 PolarHBondContact O-N 2.96Å; A222-M290 HydrophobicContact CB-CE 4.33Å; A222-M290 HydrophobicContact CB-SD 3.62Å; K227-M290 HydrophobicContact CD-CB 4.37Å; K227-M290 HydrophobicContact CD-CG 4.28Å; K227-M290 HydrophobicContact CD-SD 4.47Å; K227-M290 HydrophobicContact CG-CG 4.46Å; K227-M290 HydrophobicContact CG-SD 4.3Å; L238-M290 HydrophobicContact CD1-SD 4.34Å; L238-M290 HydrophobicContact CD2-SD 3.58Å; L238-M290 VanDerWaalsContact CD2-SD 3.58Å; L238-M290 HydrophobicContact CG-CE 4.3Å; L238-M290 HydrophobicContact CG-SD 3.53Å; L238-M290 VanDerWaalsContact CG-SD 3.53Å; W250-M290 HydrophobicContact CZ2-CE 4.17Å; Q274-M290 WeakPolarHBondContact CG-O 3.26Å; M290-F292 HydrophobicContact CE-CD2 4.25Å; M290-F292 HydrophobicContact CE-CE2 3.44Å; M290-F292 VanDerWaalsContact CE-CE2 3.44Å; M290-F292 HydrophobicContact CE-CZ 4.19Å
291	G	98.6	Very high	98.2	Very high	1 Å²	1	42 Å²	42	1%	0.01	21%	0.206	C	C	.	.			trans	-80.2	128.1	-172.9	0	0	0	0	0	112.9	G236 T237 P277	G236-G291 PolarHBondContact O-N 3.01Å; T237-G291 WeakPolarHBondContact CG2-O 3.09Å; P277-G291 WeakPolarHBondContact O-CA 3.34Å
292	F	98.7	Very high	98.2	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	20%	0.196	C	C	.	.			trans	-127.7	129.6	158.9	-80.6	-84.8	0	0	0	109.1	L238 Y247 Q274 P277 F281 M290 M296 Q297 F300 W329	L238-F292 HydrophobicContact CD1-CZ 4.15Å; Y247-F292 AromaticContact CE1-CE1 3.87Å; Y247-F292 HydrophobicContact CE1-CE1 3.87Å; Y247-F292 HydrophobicContact CE1-CZ 4.39Å; Q274-F292 HydrophobicContact CB-CD2 3.76Å; Q274-F292 HydrophobicContact CB-CE2 4.05Å; Q274-F292 HydrophobicContact CG-CD2 3.99Å; Q274-F292 HydrophobicContact CG-CE2 4.47Å; P277-F292 HydrophobicContact CB-CB 3.77Å; P277-F292 PolarHBondContact O-N 3.13Å; F281-F292 VanDerWaalsContact CE2-C 3.44Å; F281-F292 WeakPolarHBondContact CE2-O 3.2Å; M290-F292 HydrophobicContact CE-CD2 4.25Å; M290-F292 HydrophobicContact CE-CE2 3.44Å; M290-F292 VanDerWaalsContact CE-CE2 3.44Å; M290-F292 HydrophobicContact CE-CZ 4.19Å; F292-M296 HydrophobicContact CD1-CB 3.75Å; F292-Q297 HydrophobicContact CB-CB 4.23Å; F292-Q297 HydrophobicContact CD1-CB 4.4Å; F292-F300 HydrophobicContact CE1-CB 3.68Å; F292-F300 AromaticContact CE1-CD1 3.66Å; F292-F300 HydrophobicContact CE1-CD1 3.66Å; F292-F300 AromaticContact CE1-CG 3.82Å; F292-F300 HydrophobicContact CE1-CG 3.82Å; F292-F300 HydrophobicContact CE2-CD1 4.31Å; F292-F300 HydrophobicContact CZ-CB 4.3Å; F292-F300 AromaticContact CZ-CD1 3.41Å; F292-F300 HydrophobicContact CZ-CD1 3.41Å; F292-F300 VanDerWaalsContact CZ-CD1 3.41Å; F292-F300 AromaticContact CZ-CE1 3.9Å; F292-F300 HydrophobicContact CZ-CE1 3.9Å; F292-F300 AromaticContact CZ-CG 3.92Å; F292-F300 HydrophobicContact CZ-CG 3.92Å; F292-W329 WeakPolarHBondContact O-CH2 3.26Å
293	S	98.5	Very high	98.3	Very high	35 Å²	35	40.1 Å²	40.1	25%	0.245	20%	0.197	C	C	.	.			trans	-80.1	162.3	160.9	63.9	0	0	0	0	109.6	P295 M296 Q297	S293-P295 VanDerWaalsContact C-N 3.35Å; S293-M296 WeakPolarHBondContact O-CA 3.01Å; S293-M296 WeakPolarHBondContact O-CB 3.32Å; S293-M296 PolarHBondContact O-N 3.21Å; S293-M296 WeakPolarHBondContact OG-CG 3.44Å; S293-M296 PolarHBondContact OG-N 3.05Å; S293-M296 PolarHBondContact OG-SD 2.65Å; S293-M296 VanDerWaalsContact OG-SD 3.4Å; S293-Q297 PolarHBondContact O-N 2.95Å
294	P	98.8	Very high	98.4	Very high	22 Å²	22	32.4 Å²	32.4	14%	0.143	17%	0.167	C	C	.	.	H	α-helix	trans	-53.6	-43.5	176.6	-17.9	22.8	0	0	0	113.7	M296 Q297 R298 W329 V332	P294-M296 PolarHBondContact O-N 2.69Å; P294-Q297 PolarHBondContact O-N 3.47Å; P294-R298 WeakPolarHBondContact O-CB 3.26Å; P294-R298 PolarHBondContact O-N 2.89Å; P294-W329 HydrophobicContact CB-CD2 4.04Å; P294-W329 HydrophobicContact CB-CE3 4.31Å; P294-W329 HydrophobicContact CB-CG 4.26Å; P294-W329 HydrophobicContact CG-CD2 3.78Å; P294-W329 HydrophobicContact CG-CE3 3.55Å; P294-W329 HydrophobicContact CG-CG 4.29Å; P294-W329 HydrophobicContact CG-CZ3 3.96Å; P294-V332 HydrophobicContact CB-CB 3.72Å; P294-V332 HydrophobicContact CB-CG1 3.71Å; P294-V332 HydrophobicContact CB-CG2 4.1Å
295	P	98.8	Very high	98.5	Very high	53 Å²	53	26 Å²	26	34%	0.344	14%	0.137	S	C	.	.	H	α-helix	trans	-63.6	-38	173.5	-24.2	35.5	0	0	0	113.7	S293 R298 D299 V332	S293-P295 VanDerWaalsContact C-N 3.35Å; P295-R298 PolarHBondContact O-N 3.13Å; P295-D299 WeakPolarHBondContact O-CB 3.46Å; P295-D299 VanDerWaalsContact O-CG 3.26Å; P295-D299 PolarHBondContact O-N 3.35Å; P295-V332 HydrophobicContact CG-CG1 4.03Å
296	M	98.7	Very high	98.6	Very high	57 Å²	57	24.6 Å²	24.6	28%	0.281	13%	0.132	S	C	.	.	H	α-helix	trans	-65.3	-41.3	176	-71.2	167.7	156.6	0	0	111.5	F281 F292 S293 P294 D299 F300	F281-M296 HydrophobicContact CZ-SD 4.35Å; F292-M296 HydrophobicContact CD1-CB 3.75Å; S293-M296 WeakPolarHBondContact O-CA 3.01Å; S293-M296 WeakPolarHBondContact O-CB 3.32Å; S293-M296 PolarHBondContact O-N 3.21Å; S293-M296 WeakPolarHBondContact OG-CG 3.44Å; S293-M296 PolarHBondContact OG-N 3.05Å; S293-M296 PolarHBondContact OG-SD 2.65Å; S293-M296 VanDerWaalsContact OG-SD 3.4Å; P294-M296 PolarHBondContact O-N 2.69Å; M296-D299 PolarHBondContact O-N 3.05Å; M296-F300 VanDerWaalsContact O-CB 3.24Å; M296-F300 WeakPolarHBondContact O-CB 3.29Å; M296-F300 PolarHBondContact O-N 3.18Å
297	Q	98.8	Very high	98.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-46.4	177.6	-168.7	179.8	87.5	0	0	110.4	M273 F292 S293 P294 D299 F300 L301 I318 W329	M273-Q297 HydrophobicContact CB-CG 4.34Å; M273-Q297 HydrophobicContact CE-CG 3.55Å; M273-Q297 VanDerWaalsContact CE-O 3.3Å; M273-Q297 WeakPolarHBondContact CE-O 3.23Å; M273-Q297 HydrophobicContact CG-CG 4.47Å; M273-Q297 HydrophobicContact SD-CG 3.42Å; M273-Q297 WeakPolarHBondContact SD-CG 3.23Å; F292-Q297 HydrophobicContact CB-CB 4.23Å; F292-Q297 HydrophobicContact CD1-CB 4.4Å; S293-Q297 PolarHBondContact O-N 2.95Å; P294-Q297 PolarHBondContact O-N 3.47Å; Q297-D299 VanDerWaalsContact C-N 3.35Å; Q297-D299 PolarHBondContact O-N 3.32Å; Q297-F300 PolarHBondContact O-N 2.87Å; Q297-L301 WeakPolarHBondContact O-CB 3.35Å; Q297-L301 PolarHBondContact O-N 3.49Å; Q297-I318 VanDerWaalsContact OE1-CB 3.29Å; Q297-W329 HydrophobicContact CB-CZ2 4.05Å; Q297-W329 HydrophobicContact CG-CZ2 4.48Å
298	R	98.8	Very high	98.7	Very high	59 Å²	59	24.3 Å²	24.3	22%	0.223	13%	0.133	C	C	.	.	H	α-helix	trans	-53.5	-50.4	173.5	178.3	-160	69.4	-162.3	-3.3	112	P294 P295 L301 K302 V332 V333 D336 A339	P294-R298 WeakPolarHBondContact O-CB 3.26Å; P294-R298 PolarHBondContact O-N 2.89Å; P295-R298 PolarHBondContact O-N 3.13Å; R298-L301 WeakPolarHBondContact O-CB 3.47Å; R298-L301 PolarHBondContact O-N 3.33Å; R298-K302 PolarHBondContact O-N 3.22Å; R298-V332 WeakPolarHBondContact CD-O 3.32Å; R298-V333 HydrophobicContact CB-CB 4.45Å; R298-V333 HydrophobicContact CB-CG1 4.42Å; R298-V333 HydrophobicContact CB-CG2 4.13Å; R298-D336 WeakPolarHBondContact CD-OD2 3.3Å; R298-D336 HydrophobicContact CG-CB 3.86Å; R298-D336 IonicContact NE-OD2 3.08Å; R298-A339 HydrophobicContact CG-CB 3.69Å
299	D	98.9	Very high	98.7	Very high	36 Å²	36	24.5 Å²	24.5	19%	0.193	13%	0.134	C	C	.	.	H	α-helix	trans	-71.9	-39	-175	-69.1	-18.7	0	0	0	111.6	P242 P295 M296 Q297 L301 K302 M303	P242-D299 HydrophobicContact CB-CB 3.72Å; P242-D299 HydrophobicContact CG-CB 3.69Å; P295-D299 WeakPolarHBondContact O-CB 3.46Å; P295-D299 VanDerWaalsContact O-CG 3.26Å; P295-D299 PolarHBondContact O-N 3.35Å; M296-D299 PolarHBondContact O-N 3.05Å; Q297-D299 VanDerWaalsContact C-N 3.35Å; Q297-D299 PolarHBondContact O-N 3.32Å; D299-L301 VanDerWaalsContact C-N 3.31Å; D299-L301 PolarHBondContact O-N 3.05Å; D299-K302 PolarHBondContact O-N 3.2Å; D299-K302 WeakPolarHBondContact OD1-CE 3.4Å; D299-K302 IonicContact OD1-NZ 3.27Å; D299-K302 PolarHBondContact OD1-NZ 3.32Å; D299-M303 HydrophobicContact CB-SD 4.44Å; D299-M303 WeakPolarHBondContact O-CB 3.33Å; D299-M303 VanDerWaalsContact O-CG 3.23Å; D299-M303 WeakPolarHBondContact O-CG 3.37Å; D299-M303 PolarHBondContact O-N 3.39Å
300	F	98.9	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-40.4	171.8	175.3	-130.9	0	0	0	111.8	P242 Y247 W250 A251 M273 F292 M296 Q297 D304 L305	P242-F300 HydrophobicContact CG-CB 4.34Å; Y247-F300 HydrophobicContact CD1-CB 4.13Å; Y247-F300 AromaticContact CD1-CD2 3.67Å; Y247-F300 HydrophobicContact CD1-CD2 3.67Å; Y247-F300 HydrophobicContact CD1-CE2 4.42Å; Y247-F300 HydrophobicContact CD1-CG 4.11Å; Y247-F300 HydrophobicContact CE1-CB 4.34Å; Y247-F300 WeakPolarHBondContact O-CE2 3.45Å; W250-F300 AromaticContact CD1-CE1 3.89Å; W250-F300 AromaticContact CD1-CZ 3.4Å; W250-F300 VanDerWaalsContact CD1-CZ 3.4Å; W250-F300 HydrophobicContact CG-CZ 4.3Å; A251-F300 HydrophobicContact CB-CE2 3.99Å; A251-F300 HydrophobicContact CB-CZ 4.33Å; M273-F300 HydrophobicContact CE-CB 4.24Å; M273-F300 HydrophobicContact CE-CD1 3.31Å; M273-F300 HydrophobicContact CE-CE1 3.97Å; M273-F300 HydrophobicContact CE-CG 4.1Å; F292-F300 HydrophobicContact CE1-CB 3.68Å; F292-F300 AromaticContact CE1-CD1 3.66Å; F292-F300 HydrophobicContact CE1-CD1 3.66Å; F292-F300 AromaticContact CE1-CG 3.82Å; F292-F300 HydrophobicContact CE1-CG 3.82Å; F292-F300 HydrophobicContact CE2-CD1 4.31Å; F292-F300 HydrophobicContact CZ-CB 4.3Å; F292-F300 AromaticContact CZ-CD1 3.41Å; F292-F300 HydrophobicContact CZ-CD1 3.41Å; F292-F300 VanDerWaalsContact CZ-CD1 3.41Å; F292-F300 AromaticContact CZ-CE1 3.9Å; F292-F300 HydrophobicContact CZ-CE1 3.9Å; F292-F300 AromaticContact CZ-CG 3.92Å; F292-F300 HydrophobicContact CZ-CG 3.92Å; M296-F300 VanDerWaalsContact O-CB 3.24Å; M296-F300 WeakPolarHBondContact O-CB 3.29Å; M296-F300 PolarHBondContact O-N 3.18Å; Q297-F300 PolarHBondContact O-N 2.87Å; F300-D304 HydrophobicContact CD2-CB 3.65Å; F300-D304 HydrophobicContact CE2-CB 3.76Å; F300-D304 PolarHBondContact O-N 3.03Å; F300-L305 HydrophobicContact CD1-CB 4.33Å; F300-L305 HydrophobicContact CD2-CB 4.47Å; F300-L305 HydrophobicContact CE1-CB 3.89Å; F300-L305 HydrophobicContact CE1-CD1 4.41Å; F300-L305 HydrophobicContact CE1-CD2 3.96Å; F300-L305 HydrophobicContact CE1-CG 4.31Å; F300-L305 HydrophobicContact CE2-CB 4.08Å; F300-L305 HydrophobicContact CZ-CB 3.75Å; F300-L305 HydrophobicContact CZ-CD1 4.08Å; F300-L305 HydrophobicContact CZ-CD2 4.42Å; F300-L305 HydrophobicContact CZ-CG 4.29Å; F300-L305 PolarHBondContact O-N 3.07Å
301	L	98.9	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-61.2	-54.5	177.6	-177.2	55.9	0	0	0	111.4	M273 Q297 R298 D299 G306 I316 I318 V333 A339 F342 V343	M273-L301 HydrophobicContact CE-CB 3.72Å; M273-L301 HydrophobicContact CE-CD1 4.39Å; M273-L301 HydrophobicContact SD-CB 3.96Å; M273-L301 HydrophobicContact SD-CD1 4.05Å; M273-L301 HydrophobicContact SD-CD2 4.27Å; M273-L301 HydrophobicContact SD-CG 4.33Å; Q297-L301 WeakPolarHBondContact O-CB 3.35Å; Q297-L301 PolarHBondContact O-N 3.49Å; R298-L301 WeakPolarHBondContact O-CB 3.47Å; R298-L301 PolarHBondContact O-N 3.33Å; D299-L301 VanDerWaalsContact C-N 3.31Å; D299-L301 PolarHBondContact O-N 3.05Å; L301-G306 VanDerWaalsContact O-CA 3.3Å; L301-G306 WeakPolarHBondContact O-CA 3.29Å; L301-G306 PolarHBondContact O-N 3.43Å; L301-I316 HydrophobicContact CD1-CB 4.43Å; L301-I316 HydrophobicContact CD1-CD1 3.69Å; L301-I316 HydrophobicContact CD1-CG2 3.87Å; L301-I318 HydrophobicContact CD2-CG2 4.2Å; L301-V333 HydrophobicContact CD2-CG1 4.22Å; L301-A339 HydrophobicContact CD2-CB 4.25Å; L301-A339 WeakPolarHBondContact CD2-O 3.47Å; L301-F342 HydrophobicContact CD1-CB 3.71Å; L301-F342 HydrophobicContact CD1-CG 4.41Å; L301-F342 HydrophobicContact CD2-CB 4.22Å; L301-F342 HydrophobicContact CG-CB 3.97Å; L301-F342 HydrophobicContact CG-CD2 4.35Å; L301-V343 HydrophobicContact CD2-CG2 3.4Å; L301-V343 VanDerWaalsContact CD2-CG2 3.4Å
302	K	98.7	Very high	98.4	Very high	56 Å²	56	34.2 Å²	34.2	24%	0.243	21%	0.214	C	C	.	.	I	π-helix	trans	-74.3	-30.4	-173.5	75.9	-173.2	175.6	-168	0	113.6	R298 D299 P307 D336 E338 A339	R298-K302 PolarHBondContact O-N 3.22Å; D299-K302 PolarHBondContact O-N 3.2Å; D299-K302 WeakPolarHBondContact OD1-CE 3.4Å; D299-K302 IonicContact OD1-NZ 3.27Å; D299-K302 PolarHBondContact OD1-NZ 3.32Å; K302-P307 WeakPolarHBondContact O-CG 3.15Å; K302-D336 IonicContact NZ-OD2 3.88Å; K302-D336 PolarHBondContact NZ-OD2 3Å; K302-E338 HydrophobicContact CB-CB 4.05Å; K302-E338 HydrophobicContact CD-CB 4.05Å; K302-A339 HydrophobicContact CB-CB 4.14Å
303	M	98.8	Very high	98.3	Very high	95 Å²	95	41.7 Å²	41.7	47%	0.468	25%	0.254	S	S	.	.	I	π-helix	trans	-94.8	-30.6	-172.9	-61	-178.5	69	0	0	113.7	P242 D299	P242-M303 HydrophobicContact CB-SD 4.04Å; D299-M303 HydrophobicContact CB-SD 4.44Å; D299-M303 WeakPolarHBondContact O-CB 3.33Å; D299-M303 VanDerWaalsContact O-CG 3.23Å; D299-M303 WeakPolarHBondContact O-CG 3.37Å; D299-M303 PolarHBondContact O-N 3.39Å
304	D	98.9	Very high	98.3	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.032	25%	0.247	C	C	.	.	I	π-helix	trans	-128.8	-65.7	-169	-51	-72.3	0	0	0	112	P242 G243 K248 A251 F300 P307 A308	P242-D304 WeakPolarHBondContact CA-OD2 3.24Å; G243-D304 WeakPolarHBondContact CA-OD1 3.48Å; G243-D304 PolarHBondContact N-OD1 2.74Å; G243-D304 VanDerWaalsContact N-OD1 3.16Å; G243-D304 PolarHBondContact N-OD2 2.68Å; K248-D304 WeakPolarHBondContact CG-OD1 3.29Å; A251-D304 HydrophobicContact CB-CB 3.87Å; F300-D304 HydrophobicContact CD2-CB 3.65Å; F300-D304 HydrophobicContact CE2-CB 3.76Å; F300-D304 PolarHBondContact O-N 3.03Å; D304-P307 WeakPolarHBondContact O-CD 3.42Å; D304-A308 VanDerWaalsContact O-CB 3.3Å; D304-A308 WeakPolarHBondContact O-CB 3.4Å; D304-A308 PolarHBondContact O-N 2.94Å
305	L	98.9	Very high	98.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-67.7	-48.6	-170.2	-172.3	68.7	0	0	0	112.9	A251 F254 M273 F300 A308 L309 I316	A251-L305 HydrophobicContact CB-CB 4.49Å; A251-L305 HydrophobicContact CB-CD1 4.37Å; F254-L305 HydrophobicContact CB-CD1 3.79Å; F254-L305 HydrophobicContact CD1-CD1 3.96Å; F254-L305 HydrophobicContact CD2-CD1 3.85Å; F254-L305 HydrophobicContact CE1-CD1 4.44Å; F254-L305 HydrophobicContact CE2-CD1 4.33Å; F254-L305 HydrophobicContact CG-CD1 3.61Å; M273-L305 HydrophobicContact CB-CD2 4.24Å; M273-L305 HydrophobicContact CE-CD2 3.97Å; M273-L305 HydrophobicContact CG-CD2 3.64Å; M273-L305 HydrophobicContact SD-CD2 4.35Å; F300-L305 HydrophobicContact CD1-CB 4.33Å; F300-L305 HydrophobicContact CD2-CB 4.47Å; F300-L305 HydrophobicContact CE1-CB 3.89Å; F300-L305 HydrophobicContact CE1-CD1 4.41Å; F300-L305 HydrophobicContact CE1-CD2 3.96Å; F300-L305 HydrophobicContact CE1-CG 4.31Å; F300-L305 HydrophobicContact CE2-CB 4.08Å; F300-L305 HydrophobicContact CZ-CB 3.75Å; F300-L305 HydrophobicContact CZ-CD1 4.08Å; F300-L305 HydrophobicContact CZ-CD2 4.42Å; F300-L305 HydrophobicContact CZ-CG 4.29Å; F300-L305 PolarHBondContact O-N 3.07Å; L305-A308 PolarHBondContact O-N 3.19Å; L305-L309 HydrophobicContact CD1-CD1 3.74Å; L305-L309 HydrophobicContact CD1-CG 4.12Å; L305-L309 HydrophobicContact CG-CD1 3.93Å; L305-L309 HydrophobicContact CG-CG 4.42Å; L305-L309 WeakPolarHBondContact O-CB 3.34Å; L305-L309 WeakPolarHBondContact O-CG 3.49Å; L305-L309 PolarHBondContact O-N 2.83Å; L305-I316 HydrophobicContact CD2-CD1 4.34Å; L305-I316 HydrophobicContact CD2-CG2 4.26Å; L305-I316 HydrophobicContact CG-CD1 4.25Å
306	G	98.7	Very high	98.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.2	-53.6	178	0	0	0	0	0	111.9	L301 A308 L309 A310 F342	L301-G306 VanDerWaalsContact O-CA 3.3Å; L301-G306 WeakPolarHBondContact O-CA 3.29Å; L301-G306 PolarHBondContact O-N 3.43Å; G306-A308 VanDerWaalsContact C-N 3.35Å; G306-A308 PolarHBondContact O-N 3.1Å; G306-L309 PolarHBondContact O-N 2.82Å; G306-A310 PolarHBondContact O-N 2.88Å; G306-F342 VanDerWaalsContact CA-CD1 3.5Å; G306-F342 WeakPolarHBondContact O-CE1 3.32Å
307	P	98.6	Very high	98.3	Very high	69 Å²	69	38.7 Å²	38.7	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-56.9	-41	173.3	-28.5	36.3	0	0	0	114.5	K302 D304 L309 F342	K302-P307 WeakPolarHBondContact O-CG 3.15Å; D304-P307 WeakPolarHBondContact O-CD 3.42Å; P307-L309 VanDerWaalsContact C-N 3.3Å; P307-L309 PolarHBondContact O-N 2.89Å; P307-F342 HydrophobicContact CG-CZ 4.24Å
308	A	98.6	Very high	98.3	Very high	19 Å²	19	38.7 Å²	38.7	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-31.6	179.6	0	0	0	0	0	113.1	A251 D304 L305 G306	A251-A308 HydrophobicContact CB-CB 3.79Å; D304-A308 VanDerWaalsContact O-CB 3.3Å; D304-A308 WeakPolarHBondContact O-CB 3.4Å; D304-A308 PolarHBondContact O-N 2.94Å; L305-A308 PolarHBondContact O-N 3.19Å; G306-A308 VanDerWaalsContact C-N 3.35Å; G306-A308 PolarHBondContact O-N 3.1Å
309	L	98.7	Very high	98.3	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-98.8	-9.2	-175.8	-63.6	-173.2	0	0	0	114.4	F254 A255 V271 L305 G306 P307 G311 L312 V314 I316	F254-L309 HydrophobicContact CB-CD1 4.49Å; F254-L309 HydrophobicContact CB-CD2 4.17Å; A255-L309 HydrophobicContact CB-CD2 4.15Å; V271-L309 HydrophobicContact CG2-CD1 3.69Å; L305-L309 HydrophobicContact CD1-CD1 3.74Å; L305-L309 HydrophobicContact CD1-CG 4.12Å; L305-L309 HydrophobicContact CG-CD1 3.93Å; L305-L309 HydrophobicContact CG-CG 4.42Å; L305-L309 WeakPolarHBondContact O-CB 3.34Å; L305-L309 WeakPolarHBondContact O-CG 3.49Å; L305-L309 PolarHBondContact O-N 2.83Å; G306-L309 PolarHBondContact O-N 2.82Å; P307-L309 VanDerWaalsContact C-N 3.3Å; P307-L309 PolarHBondContact O-N 2.89Å; L309-G311 PolarHBondContact O-N 3.07Å; L309-L312 HydrophobicContact CD2-CD1 3.97Å; L309-L312 PolarHBondContact O-N 2.73Å; L309-V314 HydrophobicContact CB-CG1 3.7Å; L309-V314 HydrophobicContact CD1-CG1 3.82Å; L309-V314 HydrophobicContact CD2-CG1 4.06Å; L309-V314 HydrophobicContact CG-CG1 4.06Å; L309-I316 HydrophobicContact CB-CD1 4.38Å; L309-I316 HydrophobicContact CD1-CD1 3.95Å; L309-I316 HydrophobicContact CD1-CG1 4.09Å
310	A	96.4	Very high	98.3	Very high	74 Å²	74	34.2 Å²	34.2	61%	0.612	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.4	-174.2	0	0	0	0	0	114.2	G306	G306-A310 PolarHBondContact O-N 2.88Å
311	G	95	Very high	98.3	Very high	76 Å²	76	34.3 Å²	34.3	78%	0.784	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.6	178.8	0	0	0	0	0	115.6	L309	L309-G311 PolarHBondContact O-N 3.07Å
312	L	97.8	Very high	98.2	Very high	55 Å²	55	34.9 Å²	34.9	29%	0.288	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	1.4	-170.3	-62.7	-179.6	0	0	0	114.1	A255 V258 E259 L309 V314	A255-L312 HydrophobicContact CB-CD1 3.84Å; V258-L312 HydrophobicContact CB-CD1 4.27Å; V258-L312 HydrophobicContact CG1-CB 4.4Å; V258-L312 HydrophobicContact CG1-CD1 4.19Å; E259-L312 HydrophobicContact CG-CD1 4.49Å; E259-L312 HydrophobicContact CG-CD2 4.21Å; L309-L312 HydrophobicContact CD2-CD1 3.97Å; L309-L312 PolarHBondContact O-N 2.73Å; L312-V314 HydrophobicContact CB-CG1 4.24Å; L312-V314 PolarHBondContact O-N 2.89Å
313	N	95.8	Very high	98.1	Very high	158 Å²	158	32.8 Å²	32.8	85%	0.845	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	37.4	-178.2	-169.2	34.9	0	0	0	113.5
314	V	98.6	Very high	98	Very high	16 Å²	16	32.5 Å²	32.5	10%	0.097	20%	0.203	C	C	.	.			trans	-105.1	135	177.1	65.1	0	0	0	0	109.6	V258 I268 V271 L309 L312	V258-V314 HydrophobicContact CG2-CG2 4.48Å; I268-V314 HydrophobicContact CG2-CG2 4.07Å; V271-V314 HydrophobicContact CG1-CG2 4.05Å; V271-V314 HydrophobicContact CG2-CG2 4.48Å; L309-V314 HydrophobicContact CB-CG1 3.7Å; L309-V314 HydrophobicContact CD1-CG1 3.82Å; L309-V314 HydrophobicContact CD2-CG1 4.06Å; L309-V314 HydrophobicContact CG-CG1 4.06Å; L312-V314 HydrophobicContact CB-CG1 4.24Å; L312-V314 PolarHBondContact O-N 2.89Å
315	K	98.8	Very high	98	Very high	83 Å²	83	34.7 Å²	34.7	36%	0.361	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	151.1	177.5	-64.9	-176.4	-179.3	-78.5	0	110.8	W269 A270 V271 S344 F345	W269-K315 HydrophobicContact CZ2-CD 3.83Å; W269-K315 PolarHBondContact O-N 3.06Å; A270-K315 CarbonylContact C-O 3.59Å; A270-K315 WeakPolarHBondContact CA-O 3.47Å; A270-K315 HydrophobicContact CB-CB 3.83Å; V271-K315 PolarHBondContact N-O 3.16Å; K315-S344 WeakPolarHBondContact CB-OG 3.43Å; K315-F345 HydrophobicContact CD-CE2 3.65Å; K315-F345 HydrophobicContact CD-CZ 4.4Å
316	I	98.9	Very high	97.9	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.2	177.3	-55.8	175.1	0	0	0	110	V271 M273 L301 L305 L309 F342 S344	V271-I316 HydrophobicContact CG2-CG1 4.21Å; V271-I316 CarbonylContact O-C 3.54Å; V271-I316 WeakPolarHBondContact O-CA 3.32Å; M273-I316 HydrophobicContact CG-CG2 3.74Å; M273-I316 HydrophobicContact SD-CG2 4.19Å; L301-I316 HydrophobicContact CD1-CB 4.43Å; L301-I316 HydrophobicContact CD1-CD1 3.69Å; L301-I316 HydrophobicContact CD1-CG2 3.87Å; L305-I316 HydrophobicContact CD2-CD1 4.34Å; L305-I316 HydrophobicContact CD2-CG2 4.26Å; L305-I316 HydrophobicContact CG-CD1 4.25Å; L309-I316 HydrophobicContact CB-CD1 4.38Å; L309-I316 HydrophobicContact CD1-CD1 3.95Å; L309-I316 HydrophobicContact CD1-CG1 4.09Å; I316-F342 HydrophobicContact CD1-CB 4.38Å; I316-S344 PolarHBondContact O-N 3.37Å
317	M	98.9	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.1	173.6	-46.7	-170.7	-179.3	0	0	110.6	F216 W269 A270 V271 T272 M273 F345 A347 I374 T376	F216-M317 HydrophobicContact CB-CE 4.22Å; F216-M317 HydrophobicContact CG-CE 4.28Å; W269-M317 HydrophobicContact CE3-CE 4.21Å; W269-M317 HydrophobicContact CH2-CE 3.81Å; W269-M317 HydrophobicContact CZ3-CE 3.3Å; A270-M317 HydrophobicContact CB-CE 3.63Å; A270-M317 HydrophobicContact CB-CG 4.47Å; V271-M317 PolarHBondContact O-N 3.24Å; T272-M317 HydrophobicContact CG2-CB 3.89Å; T272-M317 HydrophobicContact CG2-CG 4.29Å; T272-M317 HydrophobicContact CG2-SD 3.99Å; M273-M317 PolarHBondContact N-O 3.27Å; M317-F345 VanDerWaalsContact CA-O 3.3Å; M317-F345 WeakPolarHBondContact CA-O 3.01Å; M317-F345 HydrophobicContact CB-CB 4.44Å; M317-F345 HydrophobicContact CE-CD2 4.1Å; M317-F345 HydrophobicContact CG-CB 4Å; M317-F345 HydrophobicContact CG-CD2 4.28Å; M317-F345 HydrophobicContact SD-CB 4.37Å; M317-A347 HydrophobicContact CB-CB 3.98Å; M317-A347 HydrophobicContact SD-CB 4.18Å; M317-I374 HydrophobicContact CE-CD1 3.92Å; M317-T376 HydrophobicContact SD-CG2 4.02Å
318	I	98.9	Very high	97.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	171.9	176.8	64.9	166	0	0	0	110.8	M273 Q297 L301 D320 V333 L334 V343 F345 I346 A347	M273-I318 HydrophobicContact SD-CG2 4.18Å; Q297-I318 VanDerWaalsContact OE1-CB 3.29Å; L301-I318 HydrophobicContact CD2-CG2 4.2Å; I318-D320 PolarHBondContact O-N 2.8Å; I318-V333 HydrophobicContact CD1-CB 3.92Å; I318-V333 HydrophobicContact CD1-CG1 4.05Å; I318-V333 HydrophobicContact CD1-CG2 4.43Å; I318-V333 HydrophobicContact CG2-CG1 3.94Å; I318-L334 HydrophobicContact CD1-CD1 4.31Å; I318-L334 HydrophobicContact CD1-CD2 4.02Å; I318-L334 HydrophobicContact CD1-CG 3.97Å; I318-V343 HydrophobicContact CD1-CG1 4.28Å; I318-V343 HydrophobicContact CG1-CG1 4.03Å; I318-V343 HydrophobicContact CG2-CB 4.37Å; I318-V343 HydrophobicContact CG2-CG1 3.88Å; I318-V343 HydrophobicContact CG2-CG2 3.57Å; I318-F345 PolarHBondContact N-O 2.89Å; I318-F345 VanDerWaalsContact N-O 3.08Å; I318-I346 HydrophobicContact CD1-CG1 4.06Å; I318-I346 HydrophobicContact CG1-CB 4.47Å; I318-I346 HydrophobicContact CG1-CG1 3.93Å; I318-A347 PolarHBondContact O-N 2.77Å
319	L	98.8	Very high	97.9	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.8	-83.2	-176.9	-178	63.4	0	0	0	113.6	P277 D321 M325 L326 W329 I346 A347 V348	P277-L319 WeakPolarHBondContact CD-O 3.37Å; P277-L319 VanDerWaalsContact CG-O 3.23Å; P277-L319 WeakPolarHBondContact CG-O 3.48Å; L319-D321 VanDerWaalsContact C-N 3.3Å; L319-D321 HydrophobicContact CD1-CB 3.62Å; L319-D321 HydrophobicContact CG-CB 4.02Å; L319-D321 PolarHBondContact O-N 2.97Å; L319-M325 HydrophobicContact CD1-CB 3.58Å; L319-M325 HydrophobicContact CD1-CG 4.05Å; L319-L326 HydrophobicContact CD2-CD1 4.1Å; L319-L326 HydrophobicContact CD2-CD2 3.75Å; L319-L326 HydrophobicContact CD2-CG 3.73Å; L319-W329 HydrophobicContact CB-CG 4.34Å; L319-W329 HydrophobicContact CD1-CB 4.05Å; L319-W329 HydrophobicContact CD1-CD2 3.6Å; L319-W329 HydrophobicContact CD1-CE3 3.87Å; L319-W329 HydrophobicContact CD1-CG 3.67Å; L319-I346 HydrophobicContact CB-CG2 4.26Å; L319-I346 HydrophobicContact CD2-CG2 4.11Å; L319-A347 WeakPolarHBondContact CB-O 3.01Å; L319-A347 WeakPolarHBondContact CD2-O 3.43Å; L319-A347 WeakPolarHBondContact CG-O 3.44Å; L319-V348 HydrophobicContact CD2-CG2 4.34Å
320	D	98.8	Very high	97.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.4	48.4	-172.6	-154.9	41.8	0	0	0	111.7	R161 S218 T272 Q274 E276 I318 A347 H349 T376	R161-D320 IonicContact NH2-OD1 3.68Å; R161-D320 IonicContact NH2-OD2 3.57Å; R161-D320 PolarHBondContact NH2-OD2 3.21Å; S218-D320 PolarHBondContact OG-OD2 2.9Å; T272-D320 VanDerWaalsContact CB-OD2 3.23Å; T272-D320 WeakPolarHBondContact CB-OD2 3.46Å; T272-D320 HydrophobicContact CG2-CB 3.94Å; T272-D320 VanDerWaalsContact CG2-CG 3.44Å; T272-D320 WeakPolarHBondContact CG2-OD1 3.43Å; T272-D320 WeakPolarHBondContact CG2-OD2 3.17Å; T272-D320 PolarHBondContact OG1-OD2 2.66Å; Q274-D320 WeakPolarHBondContact O-CB 2.97Å; E276-D320 WeakPolarHBondContact CA-O 3.15Å; E276-D320 PolarHBondContact N-O 3.31Å; I318-D320 PolarHBondContact O-N 2.8Å; D320-A347 WeakPolarHBondContact CA-O 3.35Å; D320-A347 HydrophobicContact CB-CB 3.84Å; D320-A347 PolarHBondContact N-O 3.42Å; D320-H349 PolarHBondContact O-CE1 3.28Å; D320-H349 PolarHBondContact O-NE2 2.75Å; D320-H349 IonicContact OD1-CD2 3.65Å; D320-H349 IonicContact OD1-NE2 2.74Å; D320-H349 PolarHBondContact OD1-NE2 3.4Å; D320-T376 WeakPolarHBondContact OD1-CB 3.45Å; D320-T376 PolarHBondContact OD1-OG1 3.14Å
321	D	98.6	Very high	98	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.011	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	-176.2	-176.8	-147.9	-46.2	0	0	0	108.8	E276 P277 T278 L319 V348 H349	E276-D321 VanDerWaalsContact CA-OD2 3.3Å; E276-D321 WeakPolarHBondContact CA-OD2 3.09Å; P277-D321 WeakPolarHBondContact CD-OD2 3.46Å; T278-D321 WeakPolarHBondContact CB-OD2 3.27Å; T278-D321 VanDerWaalsContact CG2-OD2 3.26Å; T278-D321 WeakPolarHBondContact CG2-OD2 3.42Å; T278-D321 PolarHBondContact N-OD2 2.9Å; T278-D321 VanDerWaalsContact N-OD2 3.13Å; T278-D321 PolarHBondContact OG1-OD2 3.06Å; L319-D321 VanDerWaalsContact C-N 3.3Å; L319-D321 HydrophobicContact CD1-CB 3.62Å; L319-D321 HydrophobicContact CG-CB 4.02Å; L319-D321 PolarHBondContact O-N 2.97Å; D321-V348 CarbonylContact O-C 3.16Å; D321-V348 VanDerWaalsContact O-CA 3.3Å; D321-V348 WeakPolarHBondContact O-CA 3.27Å; D321-H349 PolarHBondContact O-N 2.66Å
322	N	97.8	Very high	98.2	Very high	11 Å²	11	35.8 Å²	35.8	6%	0.059	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	149.1	-174.6	-66.3	-86.9	0	0	0	113.7	L324 M325 Y351 L352	N322-L324 PolarHBondContact O-N 3.08Å; N322-M325 WeakPolarHBondContact O-CG 3.47Å; N322-M325 PolarHBondContact O-N 2.96Å; N322-Y351 WeakPolarHBondContact OD1-CB 3.11Å; N322-Y351 PolarHBondContact OD1-N 3.07Å; N322-L352 HydrophobicContact CB-CB 4.03Å; N322-L352 HydrophobicContact CB-CD1 4.07Å; N322-L352 HydrophobicContact CB-CG 4.18Å; N322-L352 PolarHBondContact OD1-N 3.29Å
323	R	96.4	Very high	98.2	Very high	12 Å²	12	33.2 Å²	33.2	5%	0.045	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-58.3	-20.1	179.6	76.2	175.9	-177.6	-160.2	4.8	114.9	M325 L326 V348 D353 T356 L361 E407	R323-M325 PolarHBondContact O-N 3.32Å; R323-L326 WeakPolarHBondContact O-CB 3.36Å; R323-L326 PolarHBondContact O-N 2.97Å; R323-V348 HydrophobicContact CB-CG1 3.76Å; R323-D353 WeakPolarHBondContact CD-OD1 3.38Å; R323-D353 WeakPolarHBondContact CG-OD1 3.37Å; R323-D353 VanDerWaalsContact CZ-CB 3.45Å; R323-D353 VanDerWaalsContact CZ-O 3.32Å; R323-D353 IonicContact CZ-OD1 2.64Å; R323-D353 PolarHBondContact NE-O 2.83Å; R323-D353 IonicContact NE-OD1 3.38Å; R323-D353 PolarHBondContact NE-OD1 3.43Å; R323-D353 IonicContact NH1-OD1 3.41Å; R323-D353 IonicContact NH1-OD2 3.44Å; R323-D353 PolarHBondContact NH2-O 2.81Å; R323-T356 HydrophobicContact CG-CG2 4.03Å; R323-T356 PolarHBondContact NE-O 3.36Å; R323-T356 PolarHBondContact NH2-O 2.79Å; R323-L361 HydrophobicContact CB-CD2 3.95Å; R323-E407 IonicContact CZ-OE2 3.97Å; R323-E407 IonicContact NH1-OE2 3.97Å; R323-E407 PolarHBondContact NH1-OE2 3.33Å; R323-E407 IonicContact NH2-OE2 3.44Å; R323-E407 PolarHBondContact NH2-OE2 2.53Å
324	L	96.5	Very high	98.4	Very high	89 Å²	89	26.1 Å²	26.1	47%	0.466	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-52.8	-26.9	173.1	-179.9	63.1	0	0	0	113.1	N322 L326 L352 T356	N322-L324 PolarHBondContact O-N 3.08Å; L324-L326 VanDerWaalsContact C-N 3.27Å; L324-L326 PolarHBondContact O-N 3.43Å; L324-L352 HydrophobicContact CD2-CD1 4.26Å; L324-T356 WeakPolarHBondContact CA-OG1 3.48Å; L324-T356 WeakPolarHBondContact CB-OG1 3.26Å; L324-T356 WeakPolarHBondContact CD1-OG1 3.3Å
325	M	97.7	Very high	98.4	Very high	53 Å²	53	31 Å²	31	26%	0.261	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-80.5	-9	-179	-55.5	-52.3	-73.4	0	0	113.3	T278 L319 N322 R323 K328 W329	T278-M325 HydrophobicContact CG2-CE 3.22Å; T278-M325 HydrophobicContact CG2-CG 4.15Å; T278-M325 HydrophobicContact CG2-SD 3.79Å; L319-M325 HydrophobicContact CD1-CB 3.58Å; L319-M325 HydrophobicContact CD1-CG 4.05Å; N322-M325 WeakPolarHBondContact O-CG 3.47Å; N322-M325 PolarHBondContact O-N 2.96Å; R323-M325 PolarHBondContact O-N 3.32Å; M325-K328 PolarHBondContact O-N 2.82Å; M325-W329 HydrophobicContact CB-CB 4.23Å; M325-W329 HydrophobicContact CB-CE3 4.19Å; M325-W329 HydrophobicContact CE-CE3 3.68Å; M325-W329 HydrophobicContact CE-CZ3 3.79Å; M325-W329 HydrophobicContact CG-CE3 4.46Å; M325-W329 WeakPolarHBondContact O-CB 3.45Å; M325-W329 PolarHBondContact O-N 3.39Å
326	L	98.3	Very high	98.4	Very high	8 Å²	8	28.6 Å²	28.6	4%	0.042	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	150	-179.3	-66	177.9	0	0	0	112	L319 R323 L324 A330 I346 V348 L361 T364 M373	L319-L326 HydrophobicContact CD2-CD1 4.1Å; L319-L326 HydrophobicContact CD2-CD2 3.75Å; L319-L326 HydrophobicContact CD2-CG 3.73Å; R323-L326 WeakPolarHBondContact O-CB 3.36Å; R323-L326 PolarHBondContact O-N 2.97Å; L324-L326 VanDerWaalsContact C-N 3.27Å; L324-L326 PolarHBondContact O-N 3.43Å; L326-A330 HydrophobicContact CD2-CB 3.84Å; L326-I346 HydrophobicContact CD1-CG2 4.23Å; L326-I346 HydrophobicContact CD2-CG2 4.07Å; L326-V348 HydrophobicContact CD1-CG2 3.93Å; L326-L361 HydrophobicContact CD1-CD2 4.14Å; L326-T364 WeakPolarHBondContact CB-OG1 3.45Å; L326-T364 HydrophobicContact CD1-CG2 4.37Å; L326-T364 HydrophobicContact CD2-CG2 4.07Å; L326-M373 HydrophobicContact CD1-SD 4.31Å
327	P	97.5	Very high	98.3	Very high	27 Å²	27	32.4 Å²	32.4	18%	0.175	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	cis	-81.5	-8.5	-0.8	33.9	-37.3	0	0	0	113.6	W329 A330 D331 T364	P327-W329 VanDerWaalsContact C-N 3.3Å; P327-W329 PolarHBondContact O-N 2.98Å; P327-W329 VanDerWaalsContact O-N 3.17Å; P327-A330 WeakPolarHBondContact O-CB 3.25Å; P327-A330 PolarHBondContact O-N 2.98Å; P327-D331 PolarHBondContact O-N 2.01Å; P327-T364 WeakPolarHBondContact CA-OG1 3.2Å; P327-T364 WeakPolarHBondContact CB-OG1 3.4Å
328	K	98.3	Very high	98.3	Very high	151 Å²	151	37 Å²	37	66%	0.657	19%	0.194	S	C	*	.	H	α-helix	trans	-54.7	-42.4	-168.3	-178.9	178.6	178.5	-179.2	0	113.3	M325 D331 V332	M325-K328 PolarHBondContact O-N 2.82Å; K328-D331 PolarHBondContact O-N 3.04Å; K328-V332 WeakPolarHBondContact O-CG2 3.33Å; K328-V332 PolarHBondContact O-N 3.07Å; K328-V332 VanDerWaalsContact O-N 3.07Å
329	W	98.7	Very high	98.3	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-48.1	178.5	-164.9	-68.7	0	0	0	111.7	P277 T278 F292 P294 Q297 L319 M325 P327 V332 V333	P277-W329 HydrophobicContact CB-CH2 3.75Å; P277-W329 HydrophobicContact CB-CZ2 4.16Å; P277-W329 HydrophobicContact CG-CH2 3.35Å; P277-W329 HydrophobicContact CG-CZ2 3.6Å; P277-W329 HydrophobicContact CG-CZ3 4.23Å; T278-W329 HydrophobicContact CG2-CZ3 3.86Å; F292-W329 WeakPolarHBondContact O-CH2 3.26Å; P294-W329 HydrophobicContact CB-CD2 4.04Å; P294-W329 HydrophobicContact CB-CE3 4.31Å; P294-W329 HydrophobicContact CB-CG 4.26Å; P294-W329 HydrophobicContact CG-CD2 3.78Å; P294-W329 HydrophobicContact CG-CE3 3.55Å; P294-W329 HydrophobicContact CG-CG 4.29Å; P294-W329 HydrophobicContact CG-CZ3 3.96Å; Q297-W329 HydrophobicContact CB-CZ2 4.05Å; Q297-W329 HydrophobicContact CG-CZ2 4.48Å; L319-W329 HydrophobicContact CB-CG 4.34Å; L319-W329 HydrophobicContact CD1-CB 4.05Å; L319-W329 HydrophobicContact CD1-CD2 3.6Å; L319-W329 HydrophobicContact CD1-CE3 3.87Å; L319-W329 HydrophobicContact CD1-CG 3.67Å; M325-W329 HydrophobicContact CB-CB 4.23Å; M325-W329 HydrophobicContact CB-CE3 4.19Å; M325-W329 HydrophobicContact CE-CE3 3.68Å; M325-W329 HydrophobicContact CE-CZ3 3.79Å; M325-W329 HydrophobicContact CG-CE3 4.46Å; M325-W329 WeakPolarHBondContact O-CB 3.45Å; M325-W329 PolarHBondContact O-N 3.39Å; P327-W329 VanDerWaalsContact C-N 3.3Å; P327-W329 PolarHBondContact O-N 2.98Å; P327-W329 VanDerWaalsContact O-N 3.17Å; W329-V332 PolarHBondContact O-N 3.31Å; W329-V333 WeakPolarHBondContact O-CG2 3.39Å; W329-V333 PolarHBondContact O-N 2.95Å
330	A	98.8	Very high	98.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-46.9	176.4	0	0	0	0	0	110.8	L326 P327 V332 V333 L334 I346 T364	L326-A330 HydrophobicContact CD2-CB 3.84Å; P327-A330 WeakPolarHBondContact O-CB 3.25Å; P327-A330 PolarHBondContact O-N 2.98Å; A330-V332 VanDerWaalsContact C-N 3.33Å; A330-V332 PolarHBondContact O-N 3.09Å; A330-V333 PolarHBondContact O-N 3.01Å; A330-L334 HydrophobicContact CB-CD1 4.02Å; A330-L334 WeakPolarHBondContact O-CB 3.21Å; A330-L334 VanDerWaalsContact O-CG 3.3Å; A330-L334 WeakPolarHBondContact O-CG 3.31Å; A330-L334 PolarHBondContact O-N 2.54Å; A330-I346 HydrophobicContact CB-CD1 3.85Å; A330-T364 HydrophobicContact CB-CG2 3.98Å
331	D	98.8	Very high	98.2	Very high	36 Å²	36	45.3 Å²	45.3	19%	0.193	23%	0.229	C	C	.	.	H	α-helix	trans	-56.7	-43.9	178.1	-69.2	-18.8	0	0	0	112.6	P327 K328 V333 N335 R367 H368	P327-D331 PolarHBondContact O-N 2.01Å; K328-D331 PolarHBondContact O-N 3.04Å; D331-V333 PolarHBondContact O-N 3.42Å; D331-N335 WeakPolarHBondContact O-CB 3.32Å; D331-N335 PolarHBondContact O-N 3.25Å; D331-N335 PolarHBondContact O-ND2 2.94Å; D331-R367 VanDerWaalsContact OD1-CD 3.3Å; D331-R367 WeakPolarHBondContact OD1-CD 3.34Å; D331-R367 IonicContact OD2-NE 3.55Å; D331-H368 IonicContact OD1-CD2 2.89Å; D331-H368 IonicContact OD1-CE1 3.65Å; D331-H368 IonicContact OD1-NE2 2.73Å; D331-H368 PolarHBondContact OD1-NE2 3.39Å
332	V	98.8	Very high	98.2	Very high	41 Å²	41	47.2 Å²	47.2	25%	0.248	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-38.9	-179	172	0	0	0	0	111.9	P294 P295 R298 K328 W329 A330	P294-V332 HydrophobicContact CB-CB 3.72Å; P294-V332 HydrophobicContact CB-CG1 3.71Å; P294-V332 HydrophobicContact CB-CG2 4.1Å; P295-V332 HydrophobicContact CG-CG1 4.03Å; R298-V332 WeakPolarHBondContact CD-O 3.32Å; K328-V332 WeakPolarHBondContact O-CG2 3.33Å; K328-V332 PolarHBondContact O-N 3.07Å; K328-V332 VanDerWaalsContact O-N 3.07Å; W329-V332 PolarHBondContact O-N 3.31Å; A330-V332 VanDerWaalsContact C-N 3.33Å; A330-V332 PolarHBondContact O-N 3.09Å
333	V	98.8	Very high	98.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-83.4	-43.7	-176.4	-177.3	0	0	0	0	111.7	R298 L301 I318 W329 A330 D331 A339 V343	R298-V333 HydrophobicContact CB-CB 4.45Å; R298-V333 HydrophobicContact CB-CG1 4.42Å; R298-V333 HydrophobicContact CB-CG2 4.13Å; L301-V333 HydrophobicContact CD2-CG1 4.22Å; I318-V333 HydrophobicContact CD1-CB 3.92Å; I318-V333 HydrophobicContact CD1-CG1 4.05Å; I318-V333 HydrophobicContact CD1-CG2 4.43Å; I318-V333 HydrophobicContact CG2-CG1 3.94Å; W329-V333 WeakPolarHBondContact O-CG2 3.39Å; W329-V333 PolarHBondContact O-N 2.95Å; A330-V333 PolarHBondContact O-N 3.01Å; D331-V333 PolarHBondContact O-N 3.42Å; V333-A339 HydrophobicContact CG1-CB 4.29Å; V333-V343 HydrophobicContact CG1-CG2 4.22Å
334	L	98.8	Very high	98.4	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-84.2	-22.2	-171	-60.3	177.5	0	0	0	113.7	I318 A330 D336 R340 V343 I346 H368 V371	I318-L334 HydrophobicContact CD1-CD1 4.31Å; I318-L334 HydrophobicContact CD1-CD2 4.02Å; I318-L334 HydrophobicContact CD1-CG 3.97Å; A330-L334 HydrophobicContact CB-CD1 4.02Å; A330-L334 WeakPolarHBondContact O-CB 3.21Å; A330-L334 VanDerWaalsContact O-CG 3.3Å; A330-L334 WeakPolarHBondContact O-CG 3.31Å; A330-L334 PolarHBondContact O-N 2.54Å; L334-D336 PolarHBondContact O-N 2.86Å; L334-R340 WeakPolarHBondContact O-CB 3.42Å; L334-V343 HydrophobicContact CD2-CB 3.76Å; L334-V343 HydrophobicContact CD2-CG1 3.79Å; L334-V343 HydrophobicContact CD2-CG2 3.78Å; L334-I346 HydrophobicContact CD1-CD1 4.09Å; L334-I346 HydrophobicContact CD1-CG1 4.48Å; L334-H368 WeakPolarHBondContact CB-ND1 3.39Å; L334-H368 HydrophobicContact CD1-CB 3.68Å; L334-V371 HydrophobicContact CD1-CB 4.18Å; L334-V371 HydrophobicContact CD1-CG1 4.33Å; L334-V371 HydrophobicContact CD1-CG2 3.97Å; L334-V371 HydrophobicContact CD2-CG2 4.1Å
335	N	98.6	Very high	98.5	Very high	120 Å²	120	44.5 Å²	44.5	64%	0.642	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.2	172.5	-68.8	-27.7	0	0	0	113.4	D331	D331-N335 WeakPolarHBondContact O-CB 3.32Å; D331-N335 PolarHBondContact O-N 3.25Å; D331-N335 PolarHBondContact O-ND2 2.94Å
336	D	98.7	Very high	98.6	Very high	31 Å²	31	42 Å²	42	17%	0.166	21%	0.214	C	C	.	.	S	Bend	trans	-93.1	110.2	169.9	-178.8	-39.5	0	0	0	109	R298 K302 L334 E338 A339 R340	R298-D336 WeakPolarHBondContact CD-OD2 3.3Å; R298-D336 HydrophobicContact CG-CB 3.86Å; R298-D336 IonicContact NE-OD2 3.08Å; K302-D336 IonicContact NZ-OD2 3.88Å; K302-D336 PolarHBondContact NZ-OD2 3Å; L334-D336 PolarHBondContact O-N 2.86Å; D336-E338 PolarHBondContact O-N 3.06Å; D336-E338 WeakPolarHBondContact OD1-CB 3.5Å; D336-E338 PolarHBondContact OD1-N 2.99Å; D336-A339 HydrophobicContact CB-CB 4.21Å; D336-A339 PolarHBondContact O-N 2.9Å; D336-A339 VanDerWaalsContact O-N 3.13Å; D336-A339 PolarHBondContact OD1-N 2.71Å; D336-R340 VanDerWaalsContact O-CB 3.28Å; D336-R340 WeakPolarHBondContact O-CB 3.49Å; D336-R340 PolarHBondContact O-N 2.76Å
337	S	98.4	Very high	98.6	Very high	86 Å²	86	41.6 Å²	41.6	60%	0.601	21%	0.212	S	C	*	.	H	α-helix	trans	-58.8	-32	-175.5	57.8	0	0	0	0	113.7	K341	S337-K341 PolarHBondContact O-N 3.19Å
338	E	98.6	Very high	98.7	Very high	95 Å²	95	40.5 Å²	40.5	44%	0.444	21%	0.205	S	C	.	.	H	α-helix	trans	-75.4	-29.5	-179.3	-66.7	-54.6	120.8	0	0	112.3	K302 D336 K341 F342	K302-E338 HydrophobicContact CB-CB 4.05Å; K302-E338 HydrophobicContact CD-CB 4.05Å; D336-E338 PolarHBondContact O-N 3.06Å; D336-E338 WeakPolarHBondContact OD1-CB 3.5Å; D336-E338 PolarHBondContact OD1-N 2.99Å; E338-K341 WeakPolarHBondContact O-CE 3.41Å; E338-K341 WeakPolarHBondContact O-CG 3.48Å; E338-K341 IonicContact OE2-NZ 3.41Å; E338-K341 PolarHBondContact OE2-NZ 3.31Å; E338-F342 WeakPolarHBondContact O-CD2 3.34Å; E338-F342 WeakPolarHBondContact O-CE2 3.36Å
339	A	98.7	Very high	98.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-80.1	-46.6	170.1	0	0	0	0	0	111.1	R298 L301 K302 V333 D336 K341 F342	R298-A339 HydrophobicContact CG-CB 3.69Å; L301-A339 HydrophobicContact CD2-CB 4.25Å; L301-A339 WeakPolarHBondContact CD2-O 3.47Å; K302-A339 HydrophobicContact CB-CB 4.14Å; V333-A339 HydrophobicContact CG1-CB 4.29Å; D336-A339 HydrophobicContact CB-CB 4.21Å; D336-A339 PolarHBondContact O-N 2.9Å; D336-A339 VanDerWaalsContact O-N 3.13Å; D336-A339 PolarHBondContact OD1-N 2.71Å; A339-K341 VanDerWaalsContact C-N 3.26Å; A339-K341 PolarHBondContact O-N 3.02Å; A339-K341 VanDerWaalsContact O-N 3.16Å; A339-F342 PolarHBondContact O-N 3.07Å
340	R	98.5	Very high	98.6	Very high	56 Å²	56	34.4 Å²	34.4	21%	0.211	18%	0.178	C	C	.	.	H	α-helix	trans	-50.7	-41.8	-176.9	172.9	60.8	-166.9	91.7	-4.7	113	L334 D336 F342 V343 D370 V371	L334-R340 WeakPolarHBondContact O-CB 3.42Å; D336-R340 VanDerWaalsContact O-CB 3.28Å; D336-R340 WeakPolarHBondContact O-CB 3.49Å; D336-R340 PolarHBondContact O-N 2.76Å; R340-F342 PolarHBondContact O-N 2.77Å; R340-F342 VanDerWaalsContact O-N 3.07Å; R340-V343 PolarHBondContact NH1-O 3.02Å; R340-V343 PolarHBondContact O-N 3.13Å; R340-D370 IonicContact CZ-OD2 3.93Å; R340-D370 IonicContact NE-OD2 2.68Å; R340-D370 IonicContact NH2-OD1 3.56Å; R340-D370 IonicContact NH2-OD2 3.77Å; R340-D370 PolarHBondContact NH2-OD2 3.16Å; R340-V371 VanDerWaalsContact CZ-CG2 3.46Å
341	K	97.9	Very high	98.4	Very high	123 Å²	123	35.6 Å²	35.6	54%	0.535	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.3	-177.9	73.5	-170.5	-177.6	-171.8	0	114.3	S337 E338 A339	S337-K341 PolarHBondContact O-N 3.19Å; E338-K341 WeakPolarHBondContact O-CE 3.41Å; E338-K341 WeakPolarHBondContact O-CG 3.48Å; E338-K341 IonicContact OE2-NZ 3.41Å; E338-K341 PolarHBondContact OE2-NZ 3.31Å; A339-K341 VanDerWaalsContact C-N 3.26Å; A339-K341 PolarHBondContact O-N 3.02Å; A339-K341 VanDerWaalsContact O-N 3.16Å
342	F	98.6	Very high	98.2	Very high	42 Å²	42	36.6 Å²	36.6	18%	0.184	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-17.3	178	-62.6	-67.4	0	0	0	113.5	L301 G306 P307 I316 E338 A339 R340	L301-F342 HydrophobicContact CD1-CB 3.71Å; L301-F342 HydrophobicContact CD1-CG 4.41Å; L301-F342 HydrophobicContact CD2-CB 4.22Å; L301-F342 HydrophobicContact CG-CB 3.97Å; L301-F342 HydrophobicContact CG-CD2 4.35Å; G306-F342 VanDerWaalsContact CA-CD1 3.5Å; G306-F342 WeakPolarHBondContact O-CE1 3.32Å; P307-F342 HydrophobicContact CG-CZ 4.24Å; I316-F342 HydrophobicContact CD1-CB 4.38Å; E338-F342 WeakPolarHBondContact O-CD2 3.34Å; E338-F342 WeakPolarHBondContact O-CE2 3.36Å; A339-F342 PolarHBondContact O-N 3.07Å; R340-F342 PolarHBondContact O-N 2.77Å; R340-F342 VanDerWaalsContact O-N 3.07Å
343	V	98.8	Very high	98	Very high	8 Å²	8	35.5 Å²	35.5	5%	0.048	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.9	-175.4	-173.6	0	0	0	0	111.1	L301 I318 V333 L334 R340 V371	L301-V343 HydrophobicContact CD2-CG2 3.4Å; L301-V343 VanDerWaalsContact CD2-CG2 3.4Å; I318-V343 HydrophobicContact CD1-CG1 4.28Å; I318-V343 HydrophobicContact CG1-CG1 4.03Å; I318-V343 HydrophobicContact CG2-CB 4.37Å; I318-V343 HydrophobicContact CG2-CG1 3.88Å; I318-V343 HydrophobicContact CG2-CG2 3.57Å; V333-V343 HydrophobicContact CG1-CG2 4.22Å; L334-V343 HydrophobicContact CD2-CB 3.76Å; L334-V343 HydrophobicContact CD2-CG1 3.79Å; L334-V343 HydrophobicContact CD2-CG2 3.78Å; R340-V343 PolarHBondContact NH1-O 3.02Å; R340-V343 PolarHBondContact O-N 3.13Å; V343-V371 HydrophobicContact CG1-CG1 4.02Å
344	S	98.6	Very high	97.6	Very high	33 Å²	33	43 Å²	43	23%	0.231	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-35.3	173.4	-64.7	0	0	0	0	113.6	K315 I316	K315-S344 WeakPolarHBondContact CB-OG 3.43Å; I316-S344 PolarHBondContact O-N 3.37Å
345	F	98.8	Very high	97.2	Very high	13 Å²	13	48.5 Å²	48.5	6%	0.057	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	161.4	-177.7	-56.4	-87	0	0	0	111.9	V120 W269 K315 M317 I318 P372 I374 V414	V120-F345 HydrophobicContact CG2-CE1 3.95Å; V120-F345 HydrophobicContact CG2-CZ 4.11Å; W269-F345 AromaticContact CH2-CD2 3.99Å; W269-F345 HydrophobicContact CH2-CD2 3.99Å; W269-F345 HydrophobicContact CH2-CE1 4.5Å; W269-F345 AromaticContact CH2-CE2 3.31Å; W269-F345 HydrophobicContact CH2-CE2 3.31Å; W269-F345 AromaticContact CH2-CZ 3.65Å; W269-F345 HydrophobicContact CH2-CZ 3.65Å; W269-F345 HydrophobicContact CZ2-CD2 4.4Å; W269-F345 AromaticContact CZ2-CE2 3.34Å; W269-F345 HydrophobicContact CZ2-CE2 3.34Å; W269-F345 AromaticContact CZ2-CZ 3.55Å; W269-F345 HydrophobicContact CZ2-CZ 3.55Å; W269-F345 HydrophobicContact CZ3-CE2 4.41Å; K315-F345 HydrophobicContact CD-CE2 3.65Å; K315-F345 HydrophobicContact CD-CZ 4.4Å; M317-F345 VanDerWaalsContact CA-O 3.3Å; M317-F345 WeakPolarHBondContact CA-O 3.01Å; M317-F345 HydrophobicContact CB-CB 4.44Å; M317-F345 HydrophobicContact CE-CD2 4.1Å; M317-F345 HydrophobicContact CG-CB 4Å; M317-F345 HydrophobicContact CG-CD2 4.28Å; M317-F345 HydrophobicContact SD-CB 4.37Å; I318-F345 PolarHBondContact N-O 2.89Å; I318-F345 VanDerWaalsContact N-O 3.08Å; F345-P372 VanDerWaalsContact CA-O 3.28Å; F345-P372 WeakPolarHBondContact CA-O 3.07Å; F345-P372 HydrophobicContact CD1-CB 4.12Å; F345-P372 HydrophobicContact CD1-CG 3.57Å; F345-P372 HydrophobicContact CE1-CB 4.31Å; F345-P372 HydrophobicContact CE1-CG 3.56Å; F345-I374 HydrophobicContact CB-CD1 4.35Å; F345-I374 HydrophobicContact CD1-CD1 3.55Å; F345-I374 HydrophobicContact CD1-CG1 3.89Å; F345-I374 HydrophobicContact CD2-CD1 4.2Å; F345-I374 HydrophobicContact CE1-CD1 3.85Å; F345-I374 HydrophobicContact CE1-CG1 4.45Å; F345-I374 HydrophobicContact CE2-CD1 4.42Å; F345-I374 HydrophobicContact CG-CD1 3.78Å; F345-I374 HydrophobicContact CG-CG1 4.31Å; F345-I374 HydrophobicContact CZ-CD1 4.29Å; F345-V414 HydrophobicContact CD1-CG2 4.19Å; F345-V414 HydrophobicContact CE1-CG2 3.95Å
346	I	98.9	Very high	96.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.4	163.3	-62.2	160.8	0	0	0	107.5	I318 L319 L326 A330 L334 V348 T364 V371 P372 M373 I374	I318-I346 HydrophobicContact CD1-CG1 4.06Å; I318-I346 HydrophobicContact CG1-CB 4.47Å; I318-I346 HydrophobicContact CG1-CG1 3.93Å; L319-I346 HydrophobicContact CB-CG2 4.26Å; L319-I346 HydrophobicContact CD2-CG2 4.11Å; L326-I346 HydrophobicContact CD1-CG2 4.23Å; L326-I346 HydrophobicContact CD2-CG2 4.07Å; A330-I346 HydrophobicContact CB-CD1 3.85Å; L334-I346 HydrophobicContact CD1-CD1 4.09Å; L334-I346 HydrophobicContact CD1-CG1 4.48Å; I346-V348 HydrophobicContact CG2-CG2 3.97Å; I346-T364 HydrophobicContact CD1-CG2 3.81Å; I346-V371 HydrophobicContact CD1-CG1 4.14Å; I346-V371 HydrophobicContact CG1-CG1 3.83Å; I346-P372 PolarHBondContact N-O 3.24Å; I346-M373 HydrophobicContact CB-CG 3.96Å; I346-M373 HydrophobicContact CD1-CG 4.37Å; I346-M373 HydrophobicContact CG2-CG 4.32Å; I346-M373 CarbonylContact O-C 3.58Å; I346-M373 VanDerWaalsContact O-CA 3.31Å; I346-M373 WeakPolarHBondContact O-CA 3.44Å; I346-I374 PolarHBondContact O-N 3.35Å
347	A	98.9	Very high	96.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.9	176.2	0	0	0	0	0	110.2	T272 M317 I318 L319 D320 I374 T376	T272-A347 HydrophobicContact CG2-CB 4.04Å; M317-A347 HydrophobicContact CB-CB 3.98Å; M317-A347 HydrophobicContact SD-CB 4.18Å; I318-A347 PolarHBondContact O-N 2.77Å; L319-A347 WeakPolarHBondContact CB-O 3.01Å; L319-A347 WeakPolarHBondContact CD2-O 3.43Å; L319-A347 WeakPolarHBondContact CG-O 3.44Å; D320-A347 WeakPolarHBondContact CA-O 3.35Å; D320-A347 HydrophobicContact CB-CB 3.84Å; D320-A347 PolarHBondContact N-O 3.42Å; A347-I374 WeakPolarHBondContact CA-O 2.99Å; A347-T376 HydrophobicContact CB-CG2 3.51Å
348	V	98.8	Very high	96	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.8	-173.6	-170.9	0	0	0	0	111	L319 D321 R323 L326 I346 I374 G375 T376 F413	L319-V348 HydrophobicContact CD2-CG2 4.34Å; D321-V348 CarbonylContact O-C 3.16Å; D321-V348 VanDerWaalsContact O-CA 3.3Å; D321-V348 WeakPolarHBondContact O-CA 3.27Å; R323-V348 HydrophobicContact CB-CG1 3.76Å; L326-V348 HydrophobicContact CD1-CG2 3.93Å; I346-V348 HydrophobicContact CG2-CG2 3.97Å; V348-I374 PolarHBondContact N-O 3.5Å; V348-G375 CarbonylContact O-C 3.57Å; V348-G375 VanDerWaalsContact O-CA 3.32Å; V348-G375 WeakPolarHBondContact O-CA 3.42Å; V348-T376 PolarHBondContact O-N 2.9Å; V348-F413 HydrophobicContact CB-CE1 3.91Å; V348-F413 HydrophobicContact CB-CZ 3.7Å; V348-F413 HydrophobicContact CG1-CZ 4.05Å; V348-F413 HydrophobicContact CG2-CE1 4.28Å; V348-F413 HydrophobicContact CG2-CZ 3.77Å
349	H	98.5	Very high	95.7	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	152.5	173.5	-62.7	-171.1	0	0	0	111.3	N275 E276 D320 D321 Y351 T376 E377	N275-H349 PolarHBondContact OD1-CE1 3.06Å; N275-H349 VanDerWaalsContact OD1-CE1 3.25Å; E276-H349 VanDerWaalsContact CG-CE1 3.47Å; E276-H349 WeakPolarHBondContact CG-CE1 3.41Å; E276-H349 WeakPolarHBondContact CG-ND1 3.44Å; E276-H349 IonicContact OE1-CE1 3.8Å; E276-H349 IonicContact OE1-ND1 3.16Å; E276-H349 PolarHBondContact OE1-ND1 2.84Å; E276-H349 VanDerWaalsContact OE1-ND1 3.09Å; D320-H349 PolarHBondContact O-CE1 3.28Å; D320-H349 PolarHBondContact O-NE2 2.75Å; D320-H349 IonicContact OD1-CD2 3.65Å; D320-H349 IonicContact OD1-NE2 2.74Å; D320-H349 PolarHBondContact OD1-NE2 3.4Å; D321-H349 PolarHBondContact O-N 2.66Å; H349-Y351 HydrophobicContact CB-CD2 4.06Å; H349-Y351 HydrophobicContact CB-CE2 4.46Å; H349-T376 PolarHBondContact CD2-OG1 3.45Å; H349-E377 WeakPolarHBondContact CA-O 3.35Å; H349-E377 HydrophobicContact CB-CB 4.36Å; H349-E377 VanDerWaalsContact CD2-CB 3.44Å; H349-E377 WeakPolarHBondContact CD2-CB 3.42Å; H349-E377 IonicContact CE1-OE2 3.65Å; H349-E377 PolarHBondContact CE1-OE2 3.24Å; H349-E377 IonicContact ND1-OE2 3.53Å; H349-E377 WeakPolarHBondContact NE2-CB 3.34Å; H349-E377 IonicContact NE2-OE2 3.99Å
350	W	97.2	Very high	95.5	Very high	22 Å²	22	46 Å²	46	8%	0.083	24%	0.235	C	C	.	.	S	Bend	trans	-89.3	-7.9	-173.9	89.3	-24.2	0	0	0	115.8	L352 D353 E377 A378 C379 E380 W382 Y401 W416	W350-L352 VanDerWaalsContact C-N 3.31Å; W350-L352 PolarHBondContact O-N 3.2Å; W350-D353 WeakPolarHBondContact O-CB 3.44Å; W350-D353 PolarHBondContact O-N 2.86Å; W350-D353 VanDerWaalsContact O-N 3.16Å; W350-E377 PolarHBondContact N-O 2.88Å; W350-A378 HydrophobicContact CB-CB 4Å; W350-A378 HydrophobicContact CD2-CB 3.42Å; W350-A378 VanDerWaalsContact CD2-CB 3.42Å; W350-A378 HydrophobicContact CE3-CB 3.79Å; W350-A378 HydrophobicContact CG-CB 3.45Å; W350-A378 VanDerWaalsContact CG-CB 3.45Å; W350-C379 WeakPolarHBondContact CZ2-O 3.49Å; W350-C379 VanDerWaalsContact NE1-N 3.17Å; W350-C379 PolarHBondContact NE1-O 3.35Å; W350-E380 HydrophobicContact CH2-CG 3.7Å; W350-E380 WeakPolarHBondContact CH2-OE1 3.28Å; W350-E380 HydrophobicContact CZ2-CG 3.76Å; W350-W382 AromaticContact NE1-NE1 3.97Å; W350-Y401 AromaticContact CH2-CD2 3.63Å; W350-Y401 HydrophobicContact CH2-CD2 3.63Å; W350-Y401 AromaticContact CH2-CE2 3.6Å; W350-Y401 HydrophobicContact CH2-CE2 3.6Å; W350-Y401 HydrophobicContact CZ2-CE2 4.29Å; W350-Y401 AromaticContact CZ3-CD2 3.97Å; W350-Y401 HydrophobicContact CZ3-CD2 3.97Å; W350-Y401 HydrophobicContact CZ3-CE2 4.24Å; W350-Y401 HydrophobicContact CZ3-CG 4.5Å; W350-W416 AromaticContact CE3-CZ2 3.9Å; W350-W416 HydrophobicContact CE3-CZ2 3.9Å; W350-W416 HydrophobicContact CZ3-CZ2 4.16Å
351	Y	95.7	Very high	95.4	Very high	26 Å²	26	43.3 Å²	43.3	10%	0.102	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.5	-160.2	-62.4	-66.8	0	0	0	113.8	N322 H349 E377 C379 W382	N322-Y351 WeakPolarHBondContact OD1-CB 3.11Å; N322-Y351 PolarHBondContact OD1-N 3.07Å; H349-Y351 HydrophobicContact CB-CD2 4.06Å; H349-Y351 HydrophobicContact CB-CE2 4.46Å; Y351-E377 HydrophobicContact CE2-CB 4.34Å; Y351-E377 HydrophobicContact CE2-CG 3.87Å; Y351-E377 VanDerWaalsContact CE2-OE1 3.31Å; Y351-E377 WeakPolarHBondContact CE2-OE1 3.47Å; Y351-E377 PolarHBondContact OH-OE1 3.04Å; Y351-C379 PolarHBondContact OH-SG 3.49Å; Y351-W382 AromaticContact CD1-CD1 3.69Å; Y351-W382 AromaticContact CD1-CD2 3.7Å; Y351-W382 HydrophobicContact CD1-CD2 3.7Å; Y351-W382 AromaticContact CD1-CE2 3.55Å; Y351-W382 HydrophobicContact CD1-CE3 4.42Å; Y351-W382 AromaticContact CD1-CG 3.78Å; Y351-W382 HydrophobicContact CD1-CG 3.78Å; Y351-W382 HydrophobicContact CD1-CZ2 4.12Å; Y351-W382 AromaticContact CD1-NE1 3.52Å; Y351-W382 HydrophobicContact CE1-CB 4.45Å; Y351-W382 AromaticContact CE1-CD1 3.76Å; Y351-W382 HydrophobicContact CE1-CD2 4.32Å; Y351-W382 AromaticContact CE1-CG 3.91Å; Y351-W382 HydrophobicContact CE1-CG 3.91Å; Y351-W382 WeakPolarHBondContact O-CH2 3.43Å; Y351-W382 WeakPolarHBondContact O-CZ2 3.48Å
352	L	94.2	Very high	95.3	Very high	56 Å²	56	39.9 Å²	39.9	29%	0.293	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	23.9	178	-56.6	-180	0	0	0	113.5	N322 L324 W350 E354 L355	N322-L352 HydrophobicContact CB-CB 4.03Å; N322-L352 HydrophobicContact CB-CD1 4.07Å; N322-L352 HydrophobicContact CB-CG 4.18Å; N322-L352 PolarHBondContact OD1-N 3.29Å; L324-L352 HydrophobicContact CD2-CD1 4.26Å; W350-L352 VanDerWaalsContact C-N 3.31Å; W350-L352 PolarHBondContact O-N 3.2Å; L352-E354 VanDerWaalsContact C-N 3.26Å; L352-E354 PolarHBondContact O-N 2.77Å; L352-L355 HydrophobicContact CB-CD1 4.44Å; L352-L355 HydrophobicContact CD2-CD1 4.08Å; L352-L355 PolarHBondContact O-N 3.42Å
353	D	94.4	Very high	95.2	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.102	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-58.8	-38.6	-178.4	-80.5	0.6	0	0	0	112.3	R323 W350 L355 T356	R323-D353 WeakPolarHBondContact CD-OD1 3.38Å; R323-D353 WeakPolarHBondContact CG-OD1 3.37Å; R323-D353 VanDerWaalsContact CZ-CB 3.45Å; R323-D353 VanDerWaalsContact CZ-O 3.32Å; R323-D353 IonicContact CZ-OD1 2.64Å; R323-D353 PolarHBondContact NE-O 2.83Å; R323-D353 IonicContact NE-OD1 3.38Å; R323-D353 PolarHBondContact NE-OD1 3.43Å; R323-D353 IonicContact NH1-OD1 3.41Å; R323-D353 IonicContact NH1-OD2 3.44Å; R323-D353 PolarHBondContact NH2-O 2.81Å; W350-D353 WeakPolarHBondContact O-CB 3.44Å; W350-D353 PolarHBondContact O-N 2.86Å; W350-D353 VanDerWaalsContact O-N 3.16Å; D353-L355 PolarHBondContact O-N 2.94Å; D353-L355 VanDerWaalsContact O-N 3.08Å; D353-T356 PolarHBondContact O-N 2.83Å; D353-T356 VanDerWaalsContact O-N 3.09Å
354	E	90	Very high	95.2	Very high	156 Å²	156	38.8 Å²	38.8	73%	0.729	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-60.7	-22.4	178.5	-67.2	175.3	174.7	0	0	113.9	L352 K383	L352-E354 VanDerWaalsContact C-N 3.26Å; L352-E354 PolarHBondContact O-N 2.77Å; E354-K383 IonicContact OE1-NZ 3.27Å; E354-K383 PolarHBondContact OE1-NZ 3.06Å; E354-K383 IonicContact OE2-NZ 3.87Å; E354-K383 PolarHBondContact OE2-NZ 3.25Å
355	L	91.1	Very high	95.2	Very high	125 Å²	125	38.5 Å²	38.5	65%	0.654	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-90.1	-11.2	-179.3	-58.4	-175.4	0	0	0	113.5	L352 D353	L352-L355 HydrophobicContact CB-CD1 4.44Å; L352-L355 HydrophobicContact CD2-CD1 4.08Å; L352-L355 PolarHBondContact O-N 3.42Å; D353-L355 PolarHBondContact O-N 2.94Å; D353-L355 VanDerWaalsContact O-N 3.08Å
356	T	89.6	Confident	95.2	Very high	10 Å²	10	42.8 Å²	42.8	6%	0.061	23%	0.228	C	C	.	.	S	Bend	trans	-133.8	124.2	-171.6	-51	0	0	0	0	109.2	R323 L324 D353 T360	R323-T356 HydrophobicContact CG-CG2 4.03Å; R323-T356 PolarHBondContact NE-O 3.36Å; R323-T356 PolarHBondContact NH2-O 2.79Å; L324-T356 WeakPolarHBondContact CA-OG1 3.48Å; L324-T356 WeakPolarHBondContact CB-OG1 3.26Å; L324-T356 WeakPolarHBondContact CD1-OG1 3.3Å; D353-T356 PolarHBondContact O-N 2.83Å; D353-T356 VanDerWaalsContact O-N 3.09Å; T356-T360 HydrophobicContact CG2-CG2 3.52Å; T356-T360 WeakPolarHBondContact CG2-OG1 3.29Å
357	P	90.4	Very high	95.1	Very high	86 Å²	86	49.1 Å²	49.1	56%	0.558	25%	0.252	S	S	*	.			trans	-67.9	147.9	178.7	28.2	-33.9	0	0	0	111.5	L359 T360	P357-L359 PolarHBondContact O-N 3.07Å; P357-L359 VanDerWaalsContact O-N 3.08Å; P357-T360 HydrophobicContact CG-CG2 4.35Å; P357-T360 WeakPolarHBondContact O-CB 3.29Å; P357-T360 WeakPolarHBondContact O-CG2 3.04Å; P357-T360 PolarHBondContact O-N 3.01Å; P357-T360 PolarHBondContact O-OG1 3.16Å
358	S	88.9	Confident	95.1	Very high	30 Å²	30	49.6 Å²	49.6	21%	0.21	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.5	176.1	40.7	0	0	0	0	114.4	T360 L361 Q362 E407 N411	S358-T360 PolarHBondContact O-N 3.3Å; S358-T360 VanDerWaalsContact O-N 3.08Å; S358-L361 VanDerWaalsContact O-CB 3.28Å; S358-L361 WeakPolarHBondContact O-CB 3.48Å; S358-L361 PolarHBondContact O-N 2.8Å; S358-Q362 PolarHBondContact O-N 2.98Å; S358-E407 WeakPolarHBondContact CB-OE1 3.45Å; S358-E407 PolarHBondContact OG-OE1 3.5Å; S358-N411 PolarHBondContact O-OD1 3.33Å
359	L	92.3	Very high	95.1	Very high	127 Å²	127	53.3 Å²	53.3	67%	0.665	28%	0.278	S	S	*	.	H	α-helix	trans	-53.4	-28.6	169.8	-176.6	63	0	0	0	112.8	P357 L361 Q362 A363	P357-L359 PolarHBondContact O-N 3.07Å; P357-L359 VanDerWaalsContact O-N 3.08Å; L359-L361 VanDerWaalsContact C-N 3.28Å; L359-L361 PolarHBondContact O-N 3.24Å; L359-Q362 PolarHBondContact O-N 3.2Å; L359-A363 VanDerWaalsContact O-CB 3.31Å; L359-A363 WeakPolarHBondContact O-CB 2.96Å; L359-A363 PolarHBondContact O-N 2.94Å
360	T	95.3	Very high	95	Very high	27 Å²	27	58 Å²	58	17%	0.166	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-33.2	174.7	56.5	0	0	0	0	113	T356 P357 S358 T364	T356-T360 HydrophobicContact CG2-CG2 3.52Å; T356-T360 WeakPolarHBondContact CG2-OG1 3.29Å; P357-T360 HydrophobicContact CG-CG2 4.35Å; P357-T360 WeakPolarHBondContact O-CB 3.29Å; P357-T360 WeakPolarHBondContact O-CG2 3.04Å; P357-T360 PolarHBondContact O-N 3.01Å; P357-T360 PolarHBondContact O-OG1 3.16Å; S358-T360 PolarHBondContact O-N 3.3Å; S358-T360 VanDerWaalsContact O-N 3.08Å; T360-T364 WeakPolarHBondContact O-CB 2.99Å; T360-T364 PolarHBondContact O-N 3.27Å; T360-T364 PolarHBondContact O-OG1 3.12Å
361	L	97	Very high	95	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.4	-47.8	177.4	-56.1	177	0	0	0	110.4	R323 L326 S358 L359 A363 T364 H365 M373 N411 F413	R323-L361 HydrophobicContact CB-CD2 3.95Å; L326-L361 HydrophobicContact CD1-CD2 4.14Å; S358-L361 VanDerWaalsContact O-CB 3.28Å; S358-L361 WeakPolarHBondContact O-CB 3.48Å; S358-L361 PolarHBondContact O-N 2.8Å; L359-L361 VanDerWaalsContact C-N 3.28Å; L359-L361 PolarHBondContact O-N 3.24Å; L361-A363 VanDerWaalsContact C-N 3.32Å; L361-A363 PolarHBondContact O-N 3.13Å; L361-T364 WeakPolarHBondContact O-CB 3.36Å; L361-T364 PolarHBondContact O-N 2.84Å; L361-T364 VanDerWaalsContact O-N 3.13Å; L361-H365 PolarHBondContact O-N 3.42Å; L361-M373 HydrophobicContact CB-CE 4.28Å; L361-M373 HydrophobicContact CD2-SD 4.21Å; L361-N411 HydrophobicContact CB-CB 3.72Å; L361-N411 HydrophobicContact CD1-CB 3.92Å; L361-N411 HydrophobicContact CG-CB 4.49Å; L361-F413 HydrophobicContact CD1-CE2 3.88Å; L361-F413 HydrophobicContact CD1-CZ 4.44Å; L361-F413 HydrophobicContact CD2-CE2 3.94Å; L361-F413 HydrophobicContact CD2-CZ 4.23Å; L361-F413 HydrophobicContact CG-CE2 4.35Å
362	Q	95.4	Very high	95.1	Very high	51 Å²	51	57.7 Å²	57.7	24%	0.238	31%	0.308	C	S	.	.	H	α-helix	trans	-56.7	-47.2	172.8	-178.6	63.4	55.7	0	0	111.2	S358 L359 T364 H365 D366 W412	S358-Q362 PolarHBondContact O-N 2.98Å; L359-Q362 PolarHBondContact O-N 3.2Å; Q362-T364 PolarHBondContact O-N 2.9Å; Q362-H365 PolarHBondContact O-N 3.02Å; Q362-D366 PolarHBondContact NE2-OD1 3.11Å; Q362-D366 PolarHBondContact O-N 3.07Å; Q362-W412 VanDerWaalsContact CD-NE1 3.34Å
363	A	97.3	Very high	95.3	Very high	25 Å²	25	55.1 Å²	55.1	21%	0.207	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-24.7	-179.7	0	0	0	0	0	113	L359 L361 R367	L359-A363 VanDerWaalsContact O-CB 3.31Å; L359-A363 WeakPolarHBondContact O-CB 2.96Å; L359-A363 PolarHBondContact O-N 2.94Å; L361-A363 VanDerWaalsContact C-N 3.32Å; L361-A363 PolarHBondContact O-N 3.13Å; A363-R367 WeakPolarHBondContact O-CG 3.45Å; A363-R367 PolarHBondContact O-N 3.25Å; A363-R367 PolarHBondContact O-NH1 3.12Å
364	T	98.5	Very high	95.6	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-72.7	-47.2	172	-59.3	0	0	0	0	110.4	L326 P327 A330 I346 T360 L361 Q362 D366 R367 H368 M373	L326-T364 WeakPolarHBondContact CB-OG1 3.45Å; L326-T364 HydrophobicContact CD1-CG2 4.37Å; L326-T364 HydrophobicContact CD2-CG2 4.07Å; P327-T364 WeakPolarHBondContact CA-OG1 3.2Å; P327-T364 WeakPolarHBondContact CB-OG1 3.4Å; A330-T364 HydrophobicContact CB-CG2 3.98Å; I346-T364 HydrophobicContact CD1-CG2 3.81Å; T360-T364 WeakPolarHBondContact O-CB 2.99Å; T360-T364 PolarHBondContact O-N 3.27Å; T360-T364 PolarHBondContact O-OG1 3.12Å; L361-T364 WeakPolarHBondContact O-CB 3.36Å; L361-T364 PolarHBondContact O-N 2.84Å; L361-T364 VanDerWaalsContact O-N 3.13Å; Q362-T364 PolarHBondContact O-N 2.9Å; T364-D366 PolarHBondContact O-N 2.95Å; T364-R367 PolarHBondContact O-N 2.69Å; T364-H368 PolarHBondContact O-N 3.42Å; T364-M373 HydrophobicContact CG2-SD 4.37Å
365	H	98.2	Very high	96	Very high	27 Å²	27	47 Å²	47	13%	0.125	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-43.6	175	178.7	72.7	0	0	0	112	L361 Q362 R367 H368 P369 M373 W412	L361-H365 PolarHBondContact O-N 3.42Å; Q362-H365 PolarHBondContact O-N 3.02Å; H365-R367 PolarHBondContact O-N 2.78Å; H365-H368 CarbonylContact O-C 3.57Å; H365-H368 PolarHBondContact O-N 3.42Å; H365-H368 VanDerWaalsContact O-N 3.14Å; H365-P369 PolarHBondContact CE1-O 3.19Å; H365-P369 WeakPolarHBondContact O-CA 3.39Å; H365-P369 WeakPolarHBondContact O-CB 3.28Å; H365-P369 WeakPolarHBondContact O-CD 3.46Å; H365-M373 HydrophobicContact CB-CE 4.34Å; H365-W412 HydrophobicContact CB-CB 4.15Å; H365-W412 HydrophobicContact CB-CD2 4.49Å; H365-W412 HydrophobicContact CB-CG 3.79Å; H365-W412 AromaticContact CD2-CD1 3.63Å; H365-W412 AromaticContact CD2-CD2 3.41Å; H365-W412 VanDerWaalsContact CD2-CD2 3.41Å; H365-W412 AromaticContact CD2-CE2 3.31Å; H365-W412 AromaticContact CD2-CG 3.64Å; H365-W412 AromaticContact CD2-CZ2 3.83Å; H365-W412 AromaticContact CD2-NE1 3.46Å; H365-W412 PolarHBondContact CD2-NE1 3.46Å; H365-W412 AromaticContact CE1-CD2 3.68Å; H365-W412 AromaticContact CE1-CE3 3.58Å; H365-W412 AromaticContact CG-CD1 3.48Å; H365-W412 VanDerWaalsContact CG-CD1 3.48Å; H365-W412 AromaticContact CG-CD2 3.65Å; H365-W412 AromaticContact CG-CE2 3.93Å; H365-W412 AromaticContact CG-CG 3.39Å; H365-W412 AromaticContact CG-NE1 3.83Å; H365-W412 AromaticContact ND1-CD2 3.82Å; H365-W412 AromaticContact ND1-CG 3.68Å; H365-W412 AromaticContact NE2-CD2 3.44Å; H365-W412 AromaticContact NE2-CE2 3.57Å; H365-W412 AromaticContact NE2-CE3 3.5Å; H365-W412 AromaticContact NE2-CH2 3.83Å; H365-W412 AromaticContact NE2-CZ2 3.79Å; H365-W412 AromaticContact NE2-CZ3 3.69Å
366	D	98	Very high	96.3	Very high	104 Å²	104	41 Å²	41	56%	0.556	23%	0.225	S	C	*	.	H	α-helix	trans	-60.9	-30.8	179.3	-66.5	-22	0	0	0	112.8	Q362 T364	Q362-D366 PolarHBondContact NE2-OD1 3.11Å; Q362-D366 PolarHBondContact O-N 3.07Å; T364-D366 PolarHBondContact O-N 2.95Å
367	R	98.4	Very high	96.8	Very high	134 Å²	134	41 Å²	41	51%	0.506	23%	0.225	S	C	.	.	H	α-helix	trans	-81.6	-34.6	176.3	-71.2	179.5	179.6	85	-3.2	112.7	D331 A363 T364 H365	D331-R367 VanDerWaalsContact OD1-CD 3.3Å; D331-R367 WeakPolarHBondContact OD1-CD 3.34Å; D331-R367 IonicContact OD2-NE 3.55Å; A363-R367 WeakPolarHBondContact O-CG 3.45Å; A363-R367 PolarHBondContact O-N 3.25Å; A363-R367 PolarHBondContact O-NH1 3.12Å; T364-R367 PolarHBondContact O-N 2.69Å; H365-R367 PolarHBondContact O-N 2.78Å
368	H	98.3	Very high	97.2	Very high	10 Å²	10	37 Å²	37	5%	0.046	20%	0.198	C	C	.	.	S	Bend	trans	-132.7	63.9	-175.7	-54.6	-72.8	0	0	0	111.2	D331 L334 T364 H365 D370 V371	D331-H368 IonicContact OD1-CD2 2.89Å; D331-H368 IonicContact OD1-CE1 3.65Å; D331-H368 IonicContact OD1-NE2 2.73Å; D331-H368 PolarHBondContact OD1-NE2 3.39Å; L334-H368 WeakPolarHBondContact CB-ND1 3.39Å; L334-H368 HydrophobicContact CD1-CB 3.68Å; T364-H368 PolarHBondContact O-N 3.42Å; H365-H368 CarbonylContact O-C 3.57Å; H365-H368 PolarHBondContact O-N 3.42Å; H365-H368 VanDerWaalsContact O-N 3.14Å; H368-D370 PolarHBondContact O-N 3.16Å; H368-D370 VanDerWaalsContact O-N 3.12Å; H368-V371 HydrophobicContact CB-CB 4.47Å; H368-V371 PolarHBondContact O-N 2.88Å; H368-V371 VanDerWaalsContact O-N 3.11Å
369	P	97.6	Very high	97.6	Very high	81 Å²	81	35.5 Å²	35.5	53%	0.526	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-17	-167.8	26.1	-35.9	0	0	0	113.9	H365	H365-P369 PolarHBondContact CE1-O 3.19Å; H365-P369 WeakPolarHBondContact O-CA 3.39Å; H365-P369 WeakPolarHBondContact O-CB 3.28Å; H365-P369 WeakPolarHBondContact O-CD 3.46Å
370	D	96.6	Very high	97.9	Very high	102 Å²	102	29.8 Å²	29.8	55%	0.545	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	0.5	179.8	63.9	-25.5	0	0	0	113.5	R340 H368 P372	R340-D370 IonicContact CZ-OD2 3.93Å; R340-D370 IonicContact NE-OD2 2.68Å; R340-D370 IonicContact NH2-OD1 3.56Å; R340-D370 IonicContact NH2-OD2 3.77Å; R340-D370 PolarHBondContact NH2-OD2 3.16Å; H368-D370 PolarHBondContact O-N 3.16Å; H368-D370 VanDerWaalsContact O-N 3.12Å; D370-P372 WeakPolarHBondContact O-CD 3.47Å
371	V	98.4	Very high	98	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	15%	0.15	C	C	.	.	S	Bend	trans	-116.7	97.1	176.4	-170.8	0	0	0	0	110.3	L334 R340 V343 I346 H368	L334-V371 HydrophobicContact CD1-CB 4.18Å; L334-V371 HydrophobicContact CD1-CG1 4.33Å; L334-V371 HydrophobicContact CD1-CG2 3.97Å; L334-V371 HydrophobicContact CD2-CG2 4.1Å; R340-V371 VanDerWaalsContact CZ-CG2 3.46Å; V343-V371 HydrophobicContact CG1-CG1 4.02Å; I346-V371 HydrophobicContact CD1-CG1 4.14Å; I346-V371 HydrophobicContact CG1-CG1 3.83Å; H368-V371 HydrophobicContact CB-CB 4.47Å; H368-V371 PolarHBondContact O-N 2.88Å; H368-V371 VanDerWaalsContact O-N 3.11Å
372	P	97.8	Very high	97.9	Very high	38 Å²	38	31.6 Å²	31.6	25%	0.247	16%	0.162	C	C	.	.			trans	-68.5	156.6	179.6	21.2	-26.5	0	0	0	113	F345 I346 D370 V414	F345-P372 VanDerWaalsContact CA-O 3.28Å; F345-P372 WeakPolarHBondContact CA-O 3.07Å; F345-P372 HydrophobicContact CD1-CB 4.12Å; F345-P372 HydrophobicContact CD1-CG 3.57Å; F345-P372 HydrophobicContact CE1-CB 4.31Å; F345-P372 HydrophobicContact CE1-CG 3.56Å; I346-P372 PolarHBondContact N-O 3.24Å; D370-P372 WeakPolarHBondContact O-CD 3.47Å; P372-V414 HydrophobicContact CB-CB 4.49Å; P372-V414 HydrophobicContact CB-CG1 3.69Å; P372-V414 HydrophobicContact CB-CG2 3.94Å
373	M	98.8	Very high	97.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	146.9	179	-70.7	173.4	-71.3	0	0	111.7	L326 I346 L361 T364 H365 N411 W412 F413 V414	L326-M373 HydrophobicContact CD1-SD 4.31Å; I346-M373 HydrophobicContact CB-CG 3.96Å; I346-M373 HydrophobicContact CD1-CG 4.37Å; I346-M373 HydrophobicContact CG2-CG 4.32Å; I346-M373 CarbonylContact O-C 3.58Å; I346-M373 VanDerWaalsContact O-CA 3.31Å; I346-M373 WeakPolarHBondContact O-CA 3.44Å; L361-M373 HydrophobicContact CB-CE 4.28Å; L361-M373 HydrophobicContact CD2-SD 4.21Å; T364-M373 HydrophobicContact CG2-SD 4.37Å; H365-M373 HydrophobicContact CB-CE 4.34Å; M373-N411 WeakPolarHBondContact CE-O 3.32Å; M373-W412 HydrophobicContact CE-CB 3.97Å; M373-F413 HydrophobicContact CB-CD1 4.34Å; M373-F413 HydrophobicContact CB-CD2 3.58Å; M373-F413 HydrophobicContact CB-CE1 4.33Å; M373-F413 HydrophobicContact CB-CE2 3.56Å; M373-F413 HydrophobicContact CB-CG 3.97Å; M373-F413 HydrophobicContact CB-CZ 3.96Å; M373-F413 HydrophobicContact CE-CD2 4.16Å; M373-F413 HydrophobicContact CE-CE2 4.03Å; M373-F413 HydrophobicContact CG-CE2 4.19Å; M373-F413 CarbonylContact O-C 3.51Å; M373-F413 VanDerWaalsContact O-CA 3.25Å; M373-F413 WeakPolarHBondContact O-CA 3.47Å; M373-F413 HydrophobicContact SD-CD2 4.36Å; M373-F413 HydrophobicContact SD-CE2 3.73Å; M373-F413 HydrophobicContact SD-CZ 4.43Å; M373-V414 WeakPolarHBondContact O-CG2 3.25Å; M373-V414 PolarHBondContact O-N 3.02Å
374	I	98.9	Very high	97	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133	174.1	-64.1	-179.7	0	0	0	108.7	V120 M159 W269 M317 F345 I346 A347 V348 T376 V414	V120-I374 HydrophobicContact CG1-CD1 4.36Å; M159-I374 HydrophobicContact CE-CD1 4.38Å; M159-I374 HydrophobicContact CE-CG2 4.35Å; W269-I374 HydrophobicContact CH2-CD1 3.85Å; W269-I374 HydrophobicContact CZ3-CD1 4.33Å; M317-I374 HydrophobicContact CE-CD1 3.92Å; F345-I374 HydrophobicContact CB-CD1 4.35Å; F345-I374 HydrophobicContact CD1-CD1 3.55Å; F345-I374 HydrophobicContact CD1-CG1 3.89Å; F345-I374 HydrophobicContact CD2-CD1 4.2Å; F345-I374 HydrophobicContact CE1-CD1 3.85Å; F345-I374 HydrophobicContact CE1-CG1 4.45Å; F345-I374 HydrophobicContact CE2-CD1 4.42Å; F345-I374 HydrophobicContact CG-CD1 3.78Å; F345-I374 HydrophobicContact CG-CG1 4.31Å; F345-I374 HydrophobicContact CZ-CD1 4.29Å; I346-I374 PolarHBondContact O-N 3.35Å; A347-I374 WeakPolarHBondContact CA-O 2.99Å; V348-I374 PolarHBondContact N-O 3.5Å; I374-T376 HydrophobicContact CB-CG2 4.38Å; I374-T376 HydrophobicContact CG2-CG2 3.94Å; I374-T376 PolarHBondContact O-N 2.93Å; I374-V414 HydrophobicContact CD1-CG2 4.04Å; I374-V414 HydrophobicContact CG1-CG2 3.57Å
375	G	98.8	Very high	96.5	Very high	4 Å²	4	41.9 Å²	41.9	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	107.3	168	0	0	0	0	0	108.7	V348 G415 W416 V417	V348-G375 CarbonylContact O-C 3.57Å; V348-G375 VanDerWaalsContact O-CA 3.32Å; V348-G375 WeakPolarHBondContact O-CA 3.42Å; G375-G415 PolarHBondContact N-O 3.48Å; G375-W416 CarbonylContact O-C 3.52Å; G375-W416 VanDerWaalsContact O-CA 3.31Å; G375-W416 WeakPolarHBondContact O-CA 3.39Å; G375-V417 PolarHBondContact O-N 2.76Å
376	T	98.8	Very high	96	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-14.1	-172.3	48.2	0	0	0	0	113.8	R161 F216 M317 D320 A347 V348 H349 I374	R161-T376 VanDerWaalsContact CD-O 3.31Å; R161-T376 WeakPolarHBondContact CD-O 3.32Å; R161-T376 PolarHBondContact NH1-O 3.28Å; R161-T376 VanDerWaalsContact NH1-O 3.1Å; F216-T376 HydrophobicContact CE2-CG2 3.76Å; F216-T376 HydrophobicContact CZ-CG2 3.82Å; M317-T376 HydrophobicContact SD-CG2 4.02Å; D320-T376 WeakPolarHBondContact OD1-CB 3.45Å; D320-T376 PolarHBondContact OD1-OG1 3.14Å; A347-T376 HydrophobicContact CB-CG2 3.51Å; V348-T376 PolarHBondContact O-N 2.9Å; H349-T376 PolarHBondContact CD2-OG1 3.45Å; I374-T376 HydrophobicContact CB-CG2 4.38Å; I374-T376 HydrophobicContact CG2-CG2 3.94Å; I374-T376 PolarHBondContact O-N 2.93Å
377	E	98.8	Very high	95.7	Very high	11 Å²	11	42.2 Å²	42.2	5%	0.051	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	131.3	176.1	-157.8	172.5	135.8	0	0	111.9	R161 N275 H349 W350 Y351 W419	R161-E377 IonicContact CZ-OE2 2.68Å; R161-E377 VanDerWaalsContact NH1-CB 3.29Å; R161-E377 VanDerWaalsContact NH1-CG 3.32Å; R161-E377 IonicContact NH1-OE2 2.64Å; R161-E377 PolarHBondContact NH1-OE2 3.2Å; R161-E377 IonicContact NH2-OE2 3.62Å; R161-E377 PolarHBondContact NH2-OE2 3.32Å; N275-E377 PolarHBondContact OD1-OE2 3.02Å; H349-E377 WeakPolarHBondContact CA-O 3.35Å; H349-E377 HydrophobicContact CB-CB 4.36Å; H349-E377 VanDerWaalsContact CD2-CB 3.44Å; H349-E377 WeakPolarHBondContact CD2-CB 3.42Å; H349-E377 IonicContact CE1-OE2 3.65Å; H349-E377 PolarHBondContact CE1-OE2 3.24Å; H349-E377 IonicContact ND1-OE2 3.53Å; H349-E377 WeakPolarHBondContact NE2-CB 3.34Å; H349-E377 IonicContact NE2-OE2 3.99Å; W350-E377 PolarHBondContact N-O 2.88Å; Y351-E377 HydrophobicContact CE2-CB 4.34Å; Y351-E377 HydrophobicContact CE2-CG 3.87Å; Y351-E377 VanDerWaalsContact CE2-OE1 3.31Å; Y351-E377 WeakPolarHBondContact CE2-OE1 3.47Å; Y351-E377 PolarHBondContact OH-OE1 3.04Å; E377-W419 HydrophobicContact CG-CB 3.89Å; E377-W419 HydrophobicContact CG-CD2 3.72Å; E377-W419 HydrophobicContact CG-CE3 3.76Å; E377-W419 HydrophobicContact CG-CG 3.77Å
378	A	98.5	Very high	95.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.			trans	-159.8	139.4	171.3	0	0	0	0	0	110.7	W350 W416 V417 W419	W350-A378 HydrophobicContact CB-CB 4Å; W350-A378 HydrophobicContact CD2-CB 3.42Å; W350-A378 VanDerWaalsContact CD2-CB 3.42Å; W350-A378 HydrophobicContact CE3-CB 3.79Å; W350-A378 HydrophobicContact CG-CB 3.45Å; W350-A378 VanDerWaalsContact CG-CB 3.45Å; A378-W416 HydrophobicContact CB-CH2 3.32Å; A378-W416 HydrophobicContact CB-CZ2 3.07Å; A378-W416 HydrophobicContact CB-CZ3 4.21Å; A378-V417 PolarHBondContact N-O 3.24Å; A378-W419 WeakPolarHBondContact O-CB 3.28Å; A378-W419 PolarHBondContact O-N 3.06Å
379	C	98.3	Very high	95.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.			trans	-161.7	157.6	166.8	66.2	0	0	0	0	111.1	W350 Y351 W382 W419 V436	W350-C379 WeakPolarHBondContact CZ2-O 3.49Å; W350-C379 VanDerWaalsContact NE1-N 3.17Å; W350-C379 PolarHBondContact NE1-O 3.35Å; Y351-C379 PolarHBondContact OH-SG 3.49Å; C379-W382 PolarHBondContact O-NE1 3.21Å; C379-W419 HydrophobicContact CB-CB 3.94Å; C379-V436 HydrophobicContact CB-CG2 4.29Å
380	E	97.9	Very high	95.5	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.033	21%	0.207	C	C	.	.	S	Bend	trans	-91.6	169.5	172.7	-78.4	-77.8	171	0	0	111.9	W350 W382 R397 N400 Y401 D437	W350-E380 HydrophobicContact CH2-CG 3.7Å; W350-E380 WeakPolarHBondContact CH2-OE1 3.28Å; W350-E380 HydrophobicContact CZ2-CG 3.76Å; E380-W382 VanDerWaalsContact C-N 3.34Å; E380-R397 HydrophobicContact CB-CB 4.29Å; E380-R397 HydrophobicContact CB-CG 3.78Å; E380-R397 HydrophobicContact CG-CB 3.91Å; E380-R397 HydrophobicContact CG-CG 3.71Å; E380-N400 WeakPolarHBondContact OE1-CB 3.43Å; E380-N400 PolarHBondContact OE1-ND2 3.07Å; E380-Y401 HydrophobicContact CB-CE2 4.33Å; E380-Y401 HydrophobicContact CG-CD2 4.13Å; E380-Y401 HydrophobicContact CG-CE2 3.66Å; E380-D437 HydrophobicContact CB-CB 4.26Å; E380-D437 VanDerWaalsContact O-CB 3.32Å; E380-D437 WeakPolarHBondContact O-CB 3.39Å; E380-D437 PolarHBondContact O-N 3.18Å
381	G	97.3	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	78.2	19.6	174.8	0	0	0	0	0	114.3	E386 R388 G389	G381-E386 VanDerWaalsContact CA-OE1 3.26Å; G381-E386 WeakPolarHBondContact CA-OE1 3.38Å; G381-E386 PolarHBondContact N-OE1 3Å; G381-R388 VanDerWaalsContact O-CA 3.3Å; G381-R388 WeakPolarHBondContact O-CA 3.28Å; G381-G389 PolarHBondContact O-N 3.43Å
382	W	94.5	Very high	95.5	Very high	64 Å²	64	34.6 Å²	34.6	24%	0.242	19%	0.19	C	C	.	.			trans	-98.6	-25.7	176.5	66.6	-84.9	0	0	0	112.1	W350 Y351 C379 E380 E386 V436	W350-W382 AromaticContact NE1-NE1 3.97Å; Y351-W382 AromaticContact CD1-CD1 3.69Å; Y351-W382 AromaticContact CD1-CD2 3.7Å; Y351-W382 HydrophobicContact CD1-CD2 3.7Å; Y351-W382 AromaticContact CD1-CE2 3.55Å; Y351-W382 HydrophobicContact CD1-CE3 4.42Å; Y351-W382 AromaticContact CD1-CG 3.78Å; Y351-W382 HydrophobicContact CD1-CG 3.78Å; Y351-W382 HydrophobicContact CD1-CZ2 4.12Å; Y351-W382 AromaticContact CD1-NE1 3.52Å; Y351-W382 HydrophobicContact CE1-CB 4.45Å; Y351-W382 AromaticContact CE1-CD1 3.76Å; Y351-W382 HydrophobicContact CE1-CD2 4.32Å; Y351-W382 AromaticContact CE1-CG 3.91Å; Y351-W382 HydrophobicContact CE1-CG 3.91Å; Y351-W382 WeakPolarHBondContact O-CH2 3.43Å; Y351-W382 WeakPolarHBondContact O-CZ2 3.48Å; C379-W382 PolarHBondContact O-NE1 3.21Å; E380-W382 VanDerWaalsContact C-N 3.34Å; W382-E386 PolarHBondContact N-OE1 3.42Å; W382-V436 HydrophobicContact CB-CG1 3.91Å
383	K	91.1	Very high	95.6	Very high	31 Å²	31	32.8 Å²	32.8	14%	0.135	18%	0.178	C	C	.	.			trans	-70.1	139	-174.7	-58.8	-177.8	-178.7	178.9	0	110.4	E354 T385 E386	E354-K383 IonicContact OE1-NZ 3.27Å; E354-K383 PolarHBondContact OE1-NZ 3.06Å; E354-K383 IonicContact OE2-NZ 3.87Å; E354-K383 PolarHBondContact OE2-NZ 3.25Å; K383-T385 PolarHBondContact O-N 2.93Å; K383-E386 HydrophobicContact CB-CB 4.37Å; K383-E386 HydrophobicContact CB-CG 3.79Å; K383-E386 PolarHBondContact N-OE1 3.41Å; K383-E386 PolarHBondContact O-N 3.32Å
384	V	84.6	Confident	95.5	Very high	129 Å²	129	33.2 Å²	33.2	78%	0.782	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.1	173.8	-177.3	0	0	0	0	111.5	E386	V384-E386 VanDerWaalsContact C-N 3.33Å
385	T	86.4	Confident	95.5	Very high	134 Å²	134	33.9 Å²	33.9	82%	0.822	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-4.7	179.2	52	0	0	0	0	113.8	K383	K383-T385 PolarHBondContact O-N 2.93Å
386	E	88.2	Confident	95.4	Very high	54 Å²	54	38.5 Å²	38.5	25%	0.252	21%	0.208	S	C	.	.	S	Bend	trans	-124.4	173	179.3	82.1	-161.3	172.7	0	0	111.1	G381 W382 K383 V384 R388	G381-E386 VanDerWaalsContact CA-OE1 3.26Å; G381-E386 WeakPolarHBondContact CA-OE1 3.38Å; G381-E386 PolarHBondContact N-OE1 3Å; W382-E386 PolarHBondContact N-OE1 3.42Å; K383-E386 HydrophobicContact CB-CB 4.37Å; K383-E386 HydrophobicContact CB-CG 3.79Å; K383-E386 PolarHBondContact N-OE1 3.41Å; K383-E386 PolarHBondContact O-N 3.32Å; V384-E386 VanDerWaalsContact C-N 3.33Å; E386-R388 PolarHBondContact O-N 3.46Å
387	S	91	Very high	95.3	Very high	83 Å²	83	39 Å²	39	58%	0.58	21%	0.209	S	C	*	.			trans	-61.7	111.6	171.5	-61.5	0	0	0	0	109.9	R397	S387-R397 PolarHBondContact O-NH2 2.99Å
388	R	94.5	Very high	95.3	Very high	104 Å²	104	38.5 Å²	38.5	39%	0.392	21%	0.207	S	C	.	.			trans	-69.7	148.9	175	-70.5	-163	65	137	7.4	111.9	G381 E386 N434 F435	G381-R388 VanDerWaalsContact O-CA 3.3Å; G381-R388 WeakPolarHBondContact O-CA 3.28Å; E386-R388 PolarHBondContact O-N 3.46Å; R388-N434 PolarHBondContact NH2-OD1 3.28Å; R388-F435 PolarHBondContact NE-O 3.4Å; R388-F435 PolarHBondContact NH2-O 3.04Å
389	G	97.2	Very high	95.2	Very high	2 Å²	2	41 Å²	41	2%	0.021	22%	0.218	C	C	.	.	S	Bend	trans	74	-166.2	-177.4	0	0	0	0	0	113.3	G381 R397	G381-G389 PolarHBondContact O-N 3.43Å; G389-R397 PolarHBondContact O-NH1 3.42Å; G389-R397 PolarHBondContact O-NH2 3.47Å
390	P	98.2	Very high	95.2	Very high	27 Å²	27	42.7 Å²	42.7	18%	0.175	23%	0.227	C	C	.	.			trans	-68.7	142.6	-172.3	-22.7	35.2	0	0	0	114.8	D424 Q426 D437 I441	P390-D424 WeakPolarHBondContact CG-O 3.21Å; P390-Q426 VanDerWaalsContact CD-C 3.42Å; P390-Q426 WeakPolarHBondContact CD-O 3.42Å; P390-D437 VanDerWaalsContact CA-OD1 3.25Å; P390-D437 WeakPolarHBondContact CA-OD1 3.46Å; P390-D437 WeakPolarHBondContact CB-OD1 3.43Å; P390-I441 HydrophobicContact CB-CD1 3.71Å; P390-I441 HydrophobicContact CB-CG1 4.02Å; P390-I441 HydrophobicContact CG-CD1 3.53Å; P390-I441 HydrophobicContact CG-CG1 4.34Å
391	V	98.1	Very high	95.2	Very high	21 Å²	21	42.4 Å²	42.4	13%	0.127	23%	0.226	C	C	.	.			trans	-131	86.9	172.2	-179.4	0	0	0	0	107.4	H49 G393 S394 Q452	H49-V391 HydrophobicContact CB-CG1 3.68Å; H49-V391 VanDerWaalsContact CG-CG1 3.42Å; V391-G393 PolarHBondContact O-N 2.91Å; V391-S394 VanDerWaalsContact O-CB 3.23Å; V391-S394 WeakPolarHBondContact O-CB 3.31Å; V391-S394 PolarHBondContact O-N 2.97Å; V391-Q452 PolarHBondContact O-OE1 2.96Å; V391-Q452 VanDerWaalsContact O-OE1 3.13Å
392	L	98.5	Very high	95.3	Very high	16 Å²	16	42.4 Å²	42.4	8%	0.084	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	120.8	-170.3	-65.4	178.2	0	0	0	112	F47 H49 V53 L425 I441 Y450	F47-L392 HydrophobicContact CB-CB 4.09Å; F47-L392 HydrophobicContact CD1-CB 4.36Å; F47-L392 HydrophobicContact CD1-CD1 3.96Å; F47-L392 HydrophobicContact CD2-CB 3.7Å; F47-L392 HydrophobicContact CD2-CD1 4.12Å; F47-L392 HydrophobicContact CE1-CD1 3.63Å; F47-L392 HydrophobicContact CE2-CB 4.14Å; F47-L392 HydrophobicContact CE2-CD1 3.81Å; F47-L392 HydrophobicContact CG-CB 3.81Å; F47-L392 HydrophobicContact CG-CD1 4.18Å; F47-L392 HydrophobicContact CZ-CD1 3.53Å; H49-L392 PolarHBondContact CD2-O 3.17Å; V53-L392 HydrophobicContact CG1-CB 4.03Å; V53-L392 HydrophobicContact CG1-CD2 4.44Å; L392-L425 HydrophobicContact CD1-CD2 3.97Å; L392-I441 HydrophobicContact CD2-CB 3.79Å; L392-I441 HydrophobicContact CD2-CG1 3.82Å; L392-I441 HydrophobicContact CD2-CG2 3.99Å; L392-Y450 HydrophobicContact CD1-CD2 3.99Å; L392-Y450 HydrophobicContact CD1-CE2 4.15Å; L392-Y450 HydrophobicContact CD2-CD2 4.09Å; L392-Y450 HydrophobicContact CD2-CG 4.35Å
393	G	98.3	Very high	95.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	9.4	176.8	0	0	0	0	0	114.2	S51 V391 W395	S51-G393 CarbonylContact C-O 3.59Å; S51-G393 WeakPolarHBondContact CA-O 3.28Å; S51-G393 VanDerWaalsContact CB-O 3.28Å; S51-G393 WeakPolarHBondContact CB-O 3.3Å; S51-G393 PolarHBondContact N-O 3.43Å; S51-G393 VanDerWaalsContact N-O 3.13Å; S51-G393 WeakPolarHBondContact O-CA 2.94Å; V391-G393 PolarHBondContact O-N 2.91Å; G393-W395 PolarHBondContact O-N 2.78Å
394	S	98.2	Very high	95.7	Very high	11 Å²	11	42.9 Å²	42.9	8%	0.077	23%	0.228	C	C	.	.			trans	-61.2	107	179.9	-178	0	0	0	0	112.8	H49 V391 L396 R397 A398	H49-S394 WeakPolarHBondContact O-CA 3.11Å; V391-S394 VanDerWaalsContact O-CB 3.23Å; V391-S394 WeakPolarHBondContact O-CB 3.31Å; V391-S394 PolarHBondContact O-N 2.97Å; S394-L396 VanDerWaalsContact C-N 3.27Å; S394-L396 PolarHBondContact O-N 2.95Å; S394-R397 WeakPolarHBondContact OG-CG 3.39Å; S394-R397 PolarHBondContact OG-N 2.78Å; S394-A398 PolarHBondContact O-N 2.98Å
395	W	97.7	Very high	96.3	Very high	13 Å²	13	36.8 Å²	36.8	5%	0.049	19%	0.191	C	C	.	.	H	α-helix	trans	-67.8	-30.6	170.5	-173.9	-105.9	0	0	0	112.2	T80 G81 K82 G393 R397 A398 K399 I402 P453 S528	T80-W395 HydrophobicContact CG2-CH2 4.24Å; T80-W395 HydrophobicContact CG2-CZ3 4.03Å; G81-W395 VanDerWaalsContact C-CH2 3.47Å; G81-W395 VanDerWaalsContact CA-CH2 3.41Å; K82-W395 HydrophobicContact CB-CB 4.41Å; K82-W395 HydrophobicContact CB-CD2 3.63Å; K82-W395 HydrophobicContact CB-CE3 4.22Å; K82-W395 HydrophobicContact CB-CG 3.65Å; K82-W395 HydrophobicContact CD-CG 4.15Å; K82-W395 HydrophobicContact CG-CB 3.97Å; K82-W395 HydrophobicContact CG-CD2 4.19Å; K82-W395 HydrophobicContact CG-CG 3.67Å; G393-W395 PolarHBondContact O-N 2.78Å; W395-R397 VanDerWaalsContact C-N 3.31Å; W395-R397 PolarHBondContact O-N 3.18Å; W395-A398 HydrophobicContact CD2-CB 4.42Å; W395-A398 HydrophobicContact CE3-CB 4.02Å; W395-A398 HydrophobicContact CZ3-CB 4.2Å; W395-A398 WeakPolarHBondContact O-CB 3.35Å; W395-A398 PolarHBondContact O-N 2.81Å; W395-K399 PolarHBondContact O-N 2.85Å; W395-I402 HydrophobicContact CZ2-CD1 4.42Å; W395-P453 HydrophobicContact CE3-CB 4.09Å; W395-P453 HydrophobicContact CZ3-CB 4.36Å; W395-S528 VanDerWaalsContact CE2-O 3.26Å; W395-S528 WeakPolarHBondContact CZ2-O 3.21Å
396	L	96.7	Very high	96.9	Very high	102 Å²	102	30.4 Å²	30.4	53%	0.534	15%	0.152	S	C	.	.	H	α-helix	trans	-60	-43.4	178.1	178.5	60	0	0	0	111.2	S394 K399 N400	S394-L396 VanDerWaalsContact C-N 3.27Å; S394-L396 PolarHBondContact O-N 2.95Å; L396-K399 WeakPolarHBondContact O-CB 3.46Å; L396-K399 PolarHBondContact O-N 3.26Å; L396-N400 PolarHBondContact O-N 3.35Å
397	R	97.7	Very high	97.3	Very high	11 Å²	11	30.3 Å²	30.3	4%	0.042	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-42.7	176	-71.4	-176.2	172	174.7	-1.2	112	E380 S387 G389 S394 W395 K399 N400 Y401 D437 T454	E380-R397 HydrophobicContact CB-CB 4.29Å; E380-R397 HydrophobicContact CB-CG 3.78Å; E380-R397 HydrophobicContact CG-CB 3.91Å; E380-R397 HydrophobicContact CG-CG 3.71Å; S387-R397 PolarHBondContact O-NH2 2.99Å; G389-R397 PolarHBondContact O-NH1 3.42Å; G389-R397 PolarHBondContact O-NH2 3.47Å; S394-R397 WeakPolarHBondContact OG-CG 3.39Å; S394-R397 PolarHBondContact OG-N 2.78Å; W395-R397 VanDerWaalsContact C-N 3.31Å; W395-R397 PolarHBondContact O-N 3.18Å; R397-K399 VanDerWaalsContact C-N 3.31Å; R397-K399 PolarHBondContact O-N 3.39Å; R397-N400 PolarHBondContact O-N 3.31Å; R397-Y401 VanDerWaalsContact O-CD2 3.29Å; R397-Y401 WeakPolarHBondContact O-CD2 3.42Å; R397-Y401 PolarHBondContact O-N 3.3Å; R397-D437 WeakPolarHBondContact CD-OD2 3.41Å; R397-D437 IonicContact CZ-OD2 3.75Å; R397-D437 IonicContact NE-OD2 3.67Å; R397-D437 VanDerWaalsContact NH1-CB 3.27Å; R397-D437 IonicContact NH1-OD1 3.93Å; R397-D437 IonicContact NH1-OD2 2.76Å; R397-D437 PolarHBondContact NH1-OD2 2.86Å; R397-T454 HydrophobicContact CB-CG2 4.08Å
398	A	98.3	Very high	97.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-55.6	-45.5	171	0	0	0	0	0	112.3	S394 W395 N400 Y401 I402 P453 T454 V457	S394-A398 PolarHBondContact O-N 2.98Å; W395-A398 HydrophobicContact CD2-CB 4.42Å; W395-A398 HydrophobicContact CE3-CB 4.02Å; W395-A398 HydrophobicContact CZ3-CB 4.2Å; W395-A398 WeakPolarHBondContact O-CB 3.35Å; W395-A398 PolarHBondContact O-N 2.81Å; A398-N400 VanDerWaalsContact C-N 3.32Å; A398-N400 PolarHBondContact O-N 2.97Å; A398-Y401 WeakPolarHBondContact O-CB 3.36Å; A398-Y401 PolarHBondContact O-N 2.95Å; A398-I402 WeakPolarHBondContact O-CG1 3.5Å; A398-I402 PolarHBondContact O-N 2.95Å; A398-P453 HydrophobicContact CB-CB 3.56Å; A398-T454 HydrophobicContact CB-CG2 4.38Å; A398-V457 HydrophobicContact CB-CG2 3.79Å
399	K	97.4	Very high	97.8	Very high	52 Å²	52	21.9 Å²	21.9	23%	0.226	11%	0.107	C	C	.	.	H	α-helix	trans	-59.2	-41.7	177.1	-174.7	178.8	64.5	177.9	0	112.2	W395 L396 R397 I402 R403 E504	W395-K399 PolarHBondContact O-N 2.85Å; L396-K399 WeakPolarHBondContact O-CB 3.46Å; L396-K399 PolarHBondContact O-N 3.26Å; R397-K399 VanDerWaalsContact C-N 3.31Å; R397-K399 PolarHBondContact O-N 3.39Å; K399-I402 PolarHBondContact O-N 3.31Å; K399-R403 WeakPolarHBondContact O-CG 3.47Å; K399-R403 PolarHBondContact O-N 3.26Å; K399-E504 HydrophobicContact CD-CG 4.34Å
400	N	97.1	Very high	97.8	Very high	35 Å²	35	23.6 Å²	23.6	19%	0.187	12%	0.116	C	C	.	.	H	α-helix	trans	-66.3	-39.3	177.9	-67.9	-11.1	0	0	0	112.2	E380 L396 R397 A398 R403 S404	E380-N400 WeakPolarHBondContact OE1-CB 3.43Å; E380-N400 PolarHBondContact OE1-ND2 3.07Å; L396-N400 PolarHBondContact O-N 3.35Å; R397-N400 PolarHBondContact O-N 3.31Å; A398-N400 VanDerWaalsContact C-N 3.32Å; A398-N400 PolarHBondContact O-N 2.97Å; N400-R403 PolarHBondContact O-N 3.24Å; N400-S404 PolarHBondContact O-N 3.03Å
401	Y	98.6	Very high	97.7	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-59.4	-46.9	171.2	-86.5	-123.3	0	0	0	111.6	W350 E380 R397 A398 R403 S404 I405 W416 D418 P439 T454 L458	W350-Y401 AromaticContact CH2-CD2 3.63Å; W350-Y401 HydrophobicContact CH2-CD2 3.63Å; W350-Y401 AromaticContact CH2-CE2 3.6Å; W350-Y401 HydrophobicContact CH2-CE2 3.6Å; W350-Y401 HydrophobicContact CZ2-CE2 4.29Å; W350-Y401 AromaticContact CZ3-CD2 3.97Å; W350-Y401 HydrophobicContact CZ3-CD2 3.97Å; W350-Y401 HydrophobicContact CZ3-CE2 4.24Å; W350-Y401 HydrophobicContact CZ3-CG 4.5Å; E380-Y401 HydrophobicContact CB-CE2 4.33Å; E380-Y401 HydrophobicContact CG-CD2 4.13Å; E380-Y401 HydrophobicContact CG-CE2 3.66Å; R397-Y401 VanDerWaalsContact O-CD2 3.29Å; R397-Y401 WeakPolarHBondContact O-CD2 3.42Å; R397-Y401 PolarHBondContact O-N 3.3Å; A398-Y401 WeakPolarHBondContact O-CB 3.36Å; A398-Y401 PolarHBondContact O-N 2.95Å; Y401-R403 VanDerWaalsContact C-N 3.31Å; Y401-R403 PolarHBondContact O-N 3.4Å; Y401-S404 PolarHBondContact O-N 3.18Å; Y401-I405 WeakPolarHBondContact O-CB 3.31Å; Y401-I405 WeakPolarHBondContact O-CD1 3.48Å; Y401-I405 VanDerWaalsContact O-CG1 3.24Å; Y401-I405 WeakPolarHBondContact O-CG1 3.46Å; Y401-I405 PolarHBondContact O-N 3.07Å; Y401-W416 AromaticContact CD1-CH2 3.74Å; Y401-W416 HydrophobicContact CD1-CH2 3.74Å; Y401-W416 HydrophobicContact CD1-CZ3 4.24Å; Y401-W416 AromaticContact CE1-CH2 3.53Å; Y401-W416 HydrophobicContact CE1-CH2 3.53Å; Y401-W416 AromaticContact CE1-CZ3 3.99Å; Y401-W416 HydrophobicContact CE1-CZ3 3.99Å; Y401-W416 HydrophobicContact CG-CH2 4.49Å; Y401-D418 WeakPolarHBondContact CE1-OD1 3.49Å; Y401-D418 PolarHBondContact OH-OD1 2.91Å; Y401-P439 HydrophobicContact CE1-CG 4.37Å; Y401-T454 HydrophobicContact CD1-CG2 4.2Å; Y401-T454 HydrophobicContact CD2-CG2 3.64Å; Y401-T454 HydrophobicContact CE1-CG2 4.34Å; Y401-T454 HydrophobicContact CE2-CG2 3.78Å; Y401-T454 HydrophobicContact CG-CG2 3.86Å; Y401-L458 HydrophobicContact CD1-CD1 4.11Å; Y401-L458 HydrophobicContact CD1-CD2 4.27Å; Y401-L458 HydrophobicContact CD1-CG 4.07Å; Y401-L458 HydrophobicContact CE1-CD1 3.91Å; Y401-L458 HydrophobicContact CE1-CD2 4.49Å; Y401-L458 HydrophobicContact CE1-CG 4.33Å
402	I	98.6	Very high	97.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.7	-48.6	177	-60.7	162.4	0	0	0	109.9	W395 A398 K399 M406 V457 H502 I530	W395-I402 HydrophobicContact CZ2-CD1 4.42Å; A398-I402 WeakPolarHBondContact O-CG1 3.5Å; A398-I402 PolarHBondContact O-N 2.95Å; K399-I402 PolarHBondContact O-N 3.31Å; I402-M406 HydrophobicContact CG2-CG 4.17Å; I402-M406 HydrophobicContact CG2-SD 3.62Å; I402-M406 WeakPolarHBondContact O-CB 3.24Å; I402-M406 VanDerWaalsContact O-CG 3.27Å; I402-M406 WeakPolarHBondContact O-CG 3.5Å; I402-M406 PolarHBondContact O-N 2.72Å; I402-V457 HydrophobicContact CB-CG1 4.33Å; I402-V457 HydrophobicContact CD1-CG2 3.82Å; I402-V457 HydrophobicContact CG1-CB 4.15Å; I402-V457 HydrophobicContact CG1-CG1 3.42Å; I402-V457 VanDerWaalsContact CG1-CG1 3.42Å; I402-V457 HydrophobicContact CG1-CG2 3.59Å; I402-H502 HydrophobicContact CG2-CB 3.68Å; I402-H502 VanDerWaalsContact CG2-ND1 3.31Å; I402-H502 WeakPolarHBondContact CG2-ND1 3.44Å; I402-I530 HydrophobicContact CD1-CB 3.91Å; I402-I530 HydrophobicContact CD1-CG2 3.76Å; I402-I530 HydrophobicContact CG1-CB 4.43Å; I402-I530 HydrophobicContact CG1-CD1 4.1Å; I402-I530 HydrophobicContact CG1-CG2 4.3Å; I402-I530 HydrophobicContact CG2-CD1 3.89Å
403	R	96.7	Very high	97.7	Very high	95 Å²	95	23.7 Å²	23.7	36%	0.358	11%	0.111	S	C	.	.	H	α-helix	trans	-58.9	-50.7	-178.3	-77.7	173.8	172.5	-176.5	-7.1	112.5	K399 N400 Y401 E407 Q486 E504	K399-R403 WeakPolarHBondContact O-CG 3.47Å; K399-R403 PolarHBondContact O-N 3.26Å; N400-R403 PolarHBondContact O-N 3.24Å; Y401-R403 VanDerWaalsContact C-N 3.31Å; Y401-R403 PolarHBondContact O-N 3.4Å; R403-E407 VanDerWaalsContact O-CB 3.23Å; R403-E407 WeakPolarHBondContact O-CB 3.37Å; R403-E407 PolarHBondContact O-N 2.7Å; R403-Q486 PolarHBondContact O-NE2 3.31Å; R403-E504 VanDerWaalsContact CG-OE1 3.28Å; R403-E504 WeakPolarHBondContact CG-OE1 3.22Å; R403-E504 IonicContact CZ-OE1 2.75Å; R403-E504 IonicContact CZ-OE2 2.7Å; R403-E504 IonicContact NE-OE1 3.33Å; R403-E504 PolarHBondContact NE-OE1 2.97Å; R403-E504 IonicContact NE-OE2 3.26Å; R403-E504 PolarHBondContact NE-OE2 2.82Å; R403-E504 IonicContact NH2-OE1 2.92Å; R403-E504 IonicContact NH2-OE2 2.84Å; R403-E504 PolarHBondContact NH2-OE2 3.47Å
404	S	97.4	Very high	97.7	Very high	9 Å²	9	23.9 Å²	23.9	6%	0.063	11%	0.112	C	C	.	.	H	α-helix	trans	-63	-52.9	-179.1	168.9	0	0	0	0	110.9	N400 Y401 M406 E407 D408 W416	N400-S404 PolarHBondContact O-N 3.03Å; Y401-S404 PolarHBondContact O-N 3.18Å; S404-M406 VanDerWaalsContact C-N 3.33Å; S404-M406 PolarHBondContact O-N 2.81Å; S404-E407 PolarHBondContact O-N 3.09Å; S404-E407 VanDerWaalsContact O-N 3.13Å; S404-D408 WeakPolarHBondContact O-CB 3.47Å; S404-D408 PolarHBondContact O-N 2.69Å; S404-W416 PolarHBondContact OG-NE1 2.96Å
405	I	98.6	Very high	97.7	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-61.7	-42.3	-176.9	-60.9	165	0	0	0	110.7	F122 Y401 D408 L409 W416 L458 F461	F122-I405 HydrophobicContact CE1-CG2 4.25Å; Y401-I405 WeakPolarHBondContact O-CB 3.31Å; Y401-I405 WeakPolarHBondContact O-CD1 3.48Å; Y401-I405 VanDerWaalsContact O-CG1 3.24Å; Y401-I405 WeakPolarHBondContact O-CG1 3.46Å; Y401-I405 PolarHBondContact O-N 3.07Å; I405-D408 PolarHBondContact O-N 2.72Å; I405-L409 HydrophobicContact CG2-CD1 3.82Å; I405-L409 HydrophobicContact CG2-CG 4.18Å; I405-L409 WeakPolarHBondContact O-CB 3.32Å; I405-L409 WeakPolarHBondContact O-CG 3.33Å; I405-L409 PolarHBondContact O-N 3.3Å; I405-W416 HydrophobicContact CD1-CD2 4.23Å; I405-W416 HydrophobicContact CD1-CE3 4.3Å; I405-W416 HydrophobicContact CG1-CD2 3.75Å; I405-W416 HydrophobicContact CG1-CE3 4.33Å; I405-W416 HydrophobicContact CG1-CG 3.9Å; I405-W416 HydrophobicContact CG1-CZ2 4.14Å; I405-L458 HydrophobicContact CD1-CD2 3.91Å; I405-F461 HydrophobicContact CB-CD2 4.19Å; I405-F461 HydrophobicContact CB-CE1 4.44Å; I405-F461 HydrophobicContact CB-CE2 3.89Å; I405-F461 HydrophobicContact CB-CZ 4.02Å; I405-F461 HydrophobicContact CD1-CD2 3.71Å; I405-F461 HydrophobicContact CD1-CE2 3.74Å; I405-F461 HydrophobicContact CG1-CE2 4.43Å; I405-F461 HydrophobicContact CG2-CB 4.3Å; I405-F461 HydrophobicContact CG2-CD1 3.65Å; I405-F461 HydrophobicContact CG2-CD2 3.62Å; I405-F461 HydrophobicContact CG2-CE1 3.76Å; I405-F461 HydrophobicContact CG2-CE2 3.73Å; I405-F461 HydrophobicContact CG2-CG 3.57Å; I405-F461 HydrophobicContact CG2-CZ 3.81Å
406	M	98.1	Very high	97.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.1	-32	178.2	-67.3	-172.2	79.9	0	0	113.3	I402 S404 N410 F461 Q486 V488 I500 H502	I402-M406 HydrophobicContact CG2-CG 4.17Å; I402-M406 HydrophobicContact CG2-SD 3.62Å; I402-M406 WeakPolarHBondContact O-CB 3.24Å; I402-M406 VanDerWaalsContact O-CG 3.27Å; I402-M406 WeakPolarHBondContact O-CG 3.5Å; I402-M406 PolarHBondContact O-N 2.72Å; S404-M406 VanDerWaalsContact C-N 3.33Å; S404-M406 PolarHBondContact O-N 2.81Å; M406-N410 WeakPolarHBondContact O-CB 3.45Å; M406-N410 PolarHBondContact O-N 3.33Å; M406-N410 VanDerWaalsContact O-N 3.1Å; M406-N410 PolarHBondContact O-ND2 2.87Å; M406-F461 HydrophobicContact CG-CE1 3.87Å; M406-F461 HydrophobicContact CG-CZ 3.81Å; M406-Q486 HydrophobicContact CB-CB 4.29Å; M406-Q486 HydrophobicContact CE-CB 3.79Å; M406-Q486 WeakPolarHBondContact CE-O 3.38Å; M406-Q486 HydrophobicContact SD-CB 3.78Å; M406-V488 HydrophobicContact CE-CB 4.42Å; M406-V488 HydrophobicContact CE-CG1 4.09Å; M406-I500 HydrophobicContact CE-CG2 4.24Å; M406-I500 WeakPolarHBondContact CE-O 3.45Å; M406-I500 HydrophobicContact SD-CG2 4.44Å; M406-H502 HydrophobicContact CE-CB 4.46Å; M406-H502 HydrophobicContact SD-CB 3.6Å
407	E	96.2	Very high	97.9	Very high	52 Å²	52	18.1 Å²	18.1	24%	0.243	8%	0.082	C	C	.	.	H	α-helix	trans	-65.3	-50	172.3	-179.1	165.9	-110.7	0	0	110.3	R323 S358 R403 S404 L409 N410 N411	R323-E407 IonicContact CZ-OE2 3.97Å; R323-E407 IonicContact NH1-OE2 3.97Å; R323-E407 PolarHBondContact NH1-OE2 3.33Å; R323-E407 IonicContact NH2-OE2 3.44Å; R323-E407 PolarHBondContact NH2-OE2 2.53Å; S358-E407 WeakPolarHBondContact CB-OE1 3.45Å; S358-E407 PolarHBondContact OG-OE1 3.5Å; R403-E407 VanDerWaalsContact O-CB 3.23Å; R403-E407 WeakPolarHBondContact O-CB 3.37Å; R403-E407 PolarHBondContact O-N 2.7Å; S404-E407 PolarHBondContact O-N 3.09Å; S404-E407 VanDerWaalsContact O-N 3.13Å; E407-L409 PolarHBondContact O-N 3.26Å; E407-N410 PolarHBondContact O-N 3.08Å; E407-N410 VanDerWaalsContact O-N 3.16Å; E407-N411 WeakPolarHBondContact O-CB 3.46Å; E407-N411 PolarHBondContact O-N 2.68Å; E407-N411 PolarHBondContact O-ND2 2.72Å
408	D	97.8	Very high	97.9	Very high	8 Å²	8	17.6 Å²	17.6	4%	0.043	8%	0.08	C	C	.	.	H	α-helix	trans	-58.1	-50.1	178.1	-76.7	-6	0	0	0	111.7	S404 I405 N410 N411 W412 F413 W416	S404-D408 WeakPolarHBondContact O-CB 3.47Å; S404-D408 PolarHBondContact O-N 2.69Å; I405-D408 PolarHBondContact O-N 2.72Å; D408-N410 VanDerWaalsContact C-N 3.26Å; D408-N410 PolarHBondContact O-N 2.84Å; D408-N411 CarbonylContact O-C 3.59Å; D408-N411 WeakPolarHBondContact O-CA 3.39Å; D408-N411 PolarHBondContact O-N 2.64Å; D408-W412 PolarHBondContact O-N 3.18Å; D408-F413 HydrophobicContact CB-CB 3.8Å; D408-F413 HydrophobicContact CB-CD1 3.73Å; D408-F413 HydrophobicContact CB-CD2 4.02Å; D408-F413 HydrophobicContact CB-CE1 4.31Å; D408-F413 HydrophobicContact CB-CG 3.58Å; D408-F413 WeakPolarHBondContact O-CB 3.39Å; D408-F413 PolarHBondContact O-N 3.04Å; D408-W416 PolarHBondContact OD2-NE1 3.24Å
409	L	98.2	Very high	97.9	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-63	-32.4	178.3	-69.7	177.7	0	0	0	112.4	Q117 I119 F122 I405 E407 N411 F461 L465 R471 V488 F490	Q117-L409 PolarHBondContact NE2-O 3.46Å; I119-L409 HydrophobicContact CD1-CD2 3.64Å; F122-L409 HydrophobicContact CE1-CD2 4.45Å; F122-L409 HydrophobicContact CZ-CD1 4.37Å; F122-L409 HydrophobicContact CZ-CD2 4.11Å; I405-L409 HydrophobicContact CG2-CD1 3.82Å; I405-L409 HydrophobicContact CG2-CG 4.18Å; I405-L409 WeakPolarHBondContact O-CB 3.32Å; I405-L409 WeakPolarHBondContact O-CG 3.33Å; I405-L409 PolarHBondContact O-N 3.3Å; E407-L409 PolarHBondContact O-N 3.26Å; L409-N411 VanDerWaalsContact C-N 3.26Å; L409-F461 HydrophobicContact CD1-CD1 3.68Å; L409-F461 HydrophobicContact CD1-CE1 4.05Å; L409-L465 HydrophobicContact CD1-CD1 4.04Å; L409-R471 WeakPolarHBondContact O-CD 3.12Å; L409-R471 PolarHBondContact O-NE 2.88Å; L409-V488 HydrophobicContact CB-CG2 4.29Å; L409-V488 HydrophobicContact CD1-CG1 4.48Å; L409-F490 HydrophobicContact CB-CZ 4.29Å; L409-F490 HydrophobicContact CD1-CE2 4.25Å; L409-F490 HydrophobicContact CD1-CZ 4.15Å; L409-F490 HydrophobicContact CD2-CZ 4.13Å; L409-F490 HydrophobicContact CG-CZ 4.42Å
410	N	96.8	Very high	98	Very high	39 Å²	39	15.2 Å²	15.2	21%	0.209	7%	0.07	C	C	.	.	H	α-helix	trans	-75.4	-17.8	173.4	-82.2	-53.1	0	0	0	113.4	M406 E407 D408 R471 I487	M406-N410 WeakPolarHBondContact O-CB 3.45Å; M406-N410 PolarHBondContact O-N 3.33Å; M406-N410 VanDerWaalsContact O-N 3.1Å; M406-N410 PolarHBondContact O-ND2 2.87Å; E407-N410 PolarHBondContact O-N 3.08Å; E407-N410 VanDerWaalsContact O-N 3.16Å; D408-N410 VanDerWaalsContact C-N 3.26Å; D408-N410 PolarHBondContact O-N 2.84Å; N410-R471 PolarHBondContact O-NH1 3.42Å; N410-R471 PolarHBondContact O-NH2 3.34Å; N410-R471 PolarHBondContact OD1-NH1 3.12Å; N410-I487 PolarHBondContact ND2-O 3.11Å; N410-I487 PolarHBondContact OD1-O 2.83Å
411	N	96.6	Very high	98.1	Very high	22 Å²	22	13.6 Å²	13.6	12%	0.118	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	43.3	-179.5	-68.9	-80.7	0	0	0	112.8	S358 L361 M373 E407 D408 L409 F413	S358-N411 PolarHBondContact O-OD1 3.33Å; L361-N411 HydrophobicContact CB-CB 3.72Å; L361-N411 HydrophobicContact CD1-CB 3.92Å; L361-N411 HydrophobicContact CG-CB 4.49Å; M373-N411 WeakPolarHBondContact CE-O 3.32Å; E407-N411 WeakPolarHBondContact O-CB 3.46Å; E407-N411 PolarHBondContact O-N 2.68Å; E407-N411 PolarHBondContact O-ND2 2.72Å; D408-N411 CarbonylContact O-C 3.59Å; D408-N411 WeakPolarHBondContact O-CA 3.39Å; D408-N411 PolarHBondContact O-N 2.64Å; L409-N411 VanDerWaalsContact C-N 3.26Å; N411-F413 VanDerWaalsContact C-N 3.33Å; N411-F413 PolarHBondContact O-N 3.3Å
412	W	97.4	Very high	98.1	Very high	41 Å²	41	13.5 Å²	13.5	16%	0.155	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	14.1	167.4	-48.9	95	0	0	0	116.8	M116 Q117 Q362 H365 M373 D408	M116-W412 HydrophobicContact CB-CH2 4.06Å; M116-W412 HydrophobicContact CB-CZ3 3.66Å; M116-W412 HydrophobicContact CG-CH2 3.91Å; M116-W412 HydrophobicContact CG-CZ3 4.05Å; M116-W412 HydrophobicContact SD-CH2 4.33Å; Q117-W412 HydrophobicContact CB-CE3 4.13Å; Q362-W412 VanDerWaalsContact CD-NE1 3.34Å; H365-W412 HydrophobicContact CB-CB 4.15Å; H365-W412 HydrophobicContact CB-CD2 4.49Å; H365-W412 HydrophobicContact CB-CG 3.79Å; H365-W412 AromaticContact CD2-CD1 3.63Å; H365-W412 AromaticContact CD2-CD2 3.41Å; H365-W412 VanDerWaalsContact CD2-CD2 3.41Å; H365-W412 AromaticContact CD2-CE2 3.31Å; H365-W412 AromaticContact CD2-CG 3.64Å; H365-W412 AromaticContact CD2-CZ2 3.83Å; H365-W412 AromaticContact CD2-NE1 3.46Å; H365-W412 PolarHBondContact CD2-NE1 3.46Å; H365-W412 AromaticContact CE1-CD2 3.68Å; H365-W412 AromaticContact CE1-CE3 3.58Å; H365-W412 AromaticContact CG-CD1 3.48Å; H365-W412 VanDerWaalsContact CG-CD1 3.48Å; H365-W412 AromaticContact CG-CD2 3.65Å; H365-W412 AromaticContact CG-CE2 3.93Å; H365-W412 AromaticContact CG-CG 3.39Å; H365-W412 AromaticContact CG-NE1 3.83Å; H365-W412 AromaticContact ND1-CD2 3.82Å; H365-W412 AromaticContact ND1-CG 3.68Å; H365-W412 AromaticContact NE2-CD2 3.44Å; H365-W412 AromaticContact NE2-CE2 3.57Å; H365-W412 AromaticContact NE2-CE3 3.5Å; H365-W412 AromaticContact NE2-CH2 3.83Å; H365-W412 AromaticContact NE2-CZ2 3.79Å; H365-W412 AromaticContact NE2-CZ3 3.69Å; M373-W412 HydrophobicContact CE-CB 3.97Å; D408-W412 PolarHBondContact O-N 3.18Å
413	F	98.7	Very high	98.1	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.009	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.2	169.4	-77.1	-131.6	0	0	0	110.3	Q117 V348 L361 M373 D408 N411	Q117-F413 PolarHBondContact NE2-O 3.38Å; V348-F413 HydrophobicContact CB-CE1 3.91Å; V348-F413 HydrophobicContact CB-CZ 3.7Å; V348-F413 HydrophobicContact CG1-CZ 4.05Å; V348-F413 HydrophobicContact CG2-CE1 4.28Å; V348-F413 HydrophobicContact CG2-CZ 3.77Å; L361-F413 HydrophobicContact CD1-CE2 3.88Å; L361-F413 HydrophobicContact CD1-CZ 4.44Å; L361-F413 HydrophobicContact CD2-CE2 3.94Å; L361-F413 HydrophobicContact CD2-CZ 4.23Å; L361-F413 HydrophobicContact CG-CE2 4.35Å; M373-F413 HydrophobicContact CB-CD1 4.34Å; M373-F413 HydrophobicContact CB-CD2 3.58Å; M373-F413 HydrophobicContact CB-CE1 4.33Å; M373-F413 HydrophobicContact CB-CE2 3.56Å; M373-F413 HydrophobicContact CB-CG 3.97Å; M373-F413 HydrophobicContact CB-CZ 3.96Å; M373-F413 HydrophobicContact CE-CD2 4.16Å; M373-F413 HydrophobicContact CE-CE2 4.03Å; M373-F413 HydrophobicContact CG-CE2 4.19Å; M373-F413 CarbonylContact O-C 3.51Å; M373-F413 VanDerWaalsContact O-CA 3.25Å; M373-F413 WeakPolarHBondContact O-CA 3.47Å; M373-F413 HydrophobicContact SD-CD2 4.36Å; M373-F413 HydrophobicContact SD-CE2 3.73Å; M373-F413 HydrophobicContact SD-CZ 4.43Å; D408-F413 HydrophobicContact CB-CB 3.8Å; D408-F413 HydrophobicContact CB-CD1 3.73Å; D408-F413 HydrophobicContact CB-CD2 4.02Å; D408-F413 HydrophobicContact CB-CE1 4.31Å; D408-F413 HydrophobicContact CB-CG 3.58Å; D408-F413 WeakPolarHBondContact O-CB 3.39Å; D408-F413 PolarHBondContact O-N 3.04Å; N411-F413 VanDerWaalsContact C-N 3.33Å; N411-F413 PolarHBondContact O-N 3.3Å
414	V	98.8	Very high	98.2	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.024	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-2.1	178.7	-59	0	0	0	0	112.6	Q117 E118 I119 V120 G121 F345 P372 M373 I374	Q117-V414 HydrophobicContact CB-CG1 3.9Å; Q117-V414 HydrophobicContact CG-CG1 3.87Å; E118-V414 VanDerWaalsContact O-CB 3.3Å; E118-V414 WeakPolarHBondContact O-CB 3.25Å; E118-V414 WeakPolarHBondContact O-CG1 3.5Å; I119-V414 CarbonylContact C-O 3.52Å; I119-V414 WeakPolarHBondContact CA-O 3.42Å; V120-V414 HydrophobicContact CB-CB 4.35Å; V120-V414 HydrophobicContact CB-CG2 4Å; V120-V414 HydrophobicContact CG2-CB 3.94Å; V120-V414 HydrophobicContact CG2-CG2 3.46Å; V120-V414 VanDerWaalsContact CG2-CG2 3.46Å; V120-V414 PolarHBondContact N-O 3.22Å; G121-V414 PolarHBondContact N-O 3.33Å; F345-V414 HydrophobicContact CD1-CG2 4.19Å; F345-V414 HydrophobicContact CE1-CG2 3.95Å; P372-V414 HydrophobicContact CB-CB 4.49Å; P372-V414 HydrophobicContact CB-CG1 3.69Å; P372-V414 HydrophobicContact CB-CG2 3.94Å; M373-V414 WeakPolarHBondContact O-CG2 3.25Å; M373-V414 PolarHBondContact O-N 3.02Å; I374-V414 HydrophobicContact CD1-CG2 4.04Å; I374-V414 HydrophobicContact CG1-CG2 3.57Å
415	G	98.8	Very high	98.3	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	166.4	175.3	0	0	0	0	0	112.8	G121 G375	G121-G415 WeakPolarHBondContact O-CA 3.36Å; G375-G415 PolarHBondContact N-O 3.48Å
416	W	98.8	Very high	98.2	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.015	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	132.2	-176.6	-162.6	101	0	0	0	110.5	G121 F122 G123 W350 G375 A378 Y401 S404 I405 D408 D418 L458	G121-W416 PolarHBondContact O-N 3.14Å; F122-W416 VanDerWaalsContact CA-O 3.31Å; F122-W416 WeakPolarHBondContact CA-O 3.18Å; F122-W416 HydrophobicContact CD1-CB 3.82Å; F122-W416 HydrophobicContact CE1-CB 4.03Å; G123-W416 PolarHBondContact N-O 3.45Å; G123-W416 VanDerWaalsContact N-O 3.14Å; W350-W416 AromaticContact CE3-CZ2 3.9Å; W350-W416 HydrophobicContact CE3-CZ2 3.9Å; W350-W416 HydrophobicContact CZ3-CZ2 4.16Å; G375-W416 CarbonylContact O-C 3.52Å; G375-W416 VanDerWaalsContact O-CA 3.31Å; G375-W416 WeakPolarHBondContact O-CA 3.39Å; A378-W416 HydrophobicContact CB-CH2 3.32Å; A378-W416 HydrophobicContact CB-CZ2 3.07Å; A378-W416 HydrophobicContact CB-CZ3 4.21Å; Y401-W416 AromaticContact CD1-CH2 3.74Å; Y401-W416 HydrophobicContact CD1-CH2 3.74Å; Y401-W416 HydrophobicContact CD1-CZ3 4.24Å; Y401-W416 AromaticContact CE1-CH2 3.53Å; Y401-W416 HydrophobicContact CE1-CH2 3.53Å; Y401-W416 AromaticContact CE1-CZ3 3.99Å; Y401-W416 HydrophobicContact CE1-CZ3 3.99Å; Y401-W416 HydrophobicContact CG-CH2 4.49Å; S404-W416 PolarHBondContact OG-NE1 2.96Å; I405-W416 HydrophobicContact CD1-CD2 4.23Å; I405-W416 HydrophobicContact CD1-CE3 4.3Å; I405-W416 HydrophobicContact CG1-CD2 3.75Å; I405-W416 HydrophobicContact CG1-CE3 4.33Å; I405-W416 HydrophobicContact CG1-CG 3.9Å; I405-W416 HydrophobicContact CG1-CZ2 4.14Å; D408-W416 PolarHBondContact OD2-NE1 3.24Å; W416-D418 HydrophobicContact CZ3-CB 3.89Å; W416-L458 HydrophobicContact CE3-CD2 3.79Å; W416-L458 HydrophobicContact CH2-CD2 4.5Å; W416-L458 HydrophobicContact CZ3-CD2 3.58Å
417	V	98.9	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.9	-174.6	173.5	0	0	0	0	111.6	G123 M159 R161 F216 G375 A378	G123-V417 WeakPolarHBondContact O-CA 3.37Å; M159-V417 HydrophobicContact CB-CG2 4.13Å; M159-V417 HydrophobicContact CE-CG2 4.44Å; M159-V417 HydrophobicContact SD-CG2 4.47Å; R161-V417 HydrophobicContact CB-CG1 4.01Å; F216-V417 HydrophobicContact CE1-CB 4.34Å; F216-V417 HydrophobicContact CE1-CG1 4.33Å; F216-V417 HydrophobicContact CE1-CG2 3.8Å; F216-V417 HydrophobicContact CZ-CB 4.32Å; F216-V417 HydrophobicContact CZ-CG1 4.27Å; F216-V417 HydrophobicContact CZ-CG2 4.24Å; G375-V417 PolarHBondContact O-N 2.76Å; A378-V417 PolarHBondContact N-O 3.24Å
418	D	98.7	Very high	98.3	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	146.7	174.1	-168.3	90.6	0	0	0	111.7	G123 G124 A125 Y401 W416 N420 P439	G123-D418 PolarHBondContact O-N 3.39Å; G124-D418 CarbonylContact C-O 3.55Å; G124-D418 VanDerWaalsContact CA-O 3.26Å; G124-D418 WeakPolarHBondContact CA-O 3.35Å; A125-D418 PolarHBondContact N-O 3.27Å; Y401-D418 WeakPolarHBondContact CE1-OD1 3.49Å; Y401-D418 PolarHBondContact OH-OD1 2.91Å; W416-D418 HydrophobicContact CZ3-CB 3.89Å; D418-N420 PolarHBondContact O-N 2.99Å; D418-N420 PolarHBondContact OD2-N 2.84Å; D418-P439 HydrophobicContact CB-CG 4.35Å; D418-P439 WeakPolarHBondContact OD1-CG 3.28Å; D418-P439 WeakPolarHBondContact OD2-CD 3.46Å
419	W	98.3	Very high	98.4	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.008	9%	0.094	C	C	.	.	S	Bend	trans	-69.8	-31.7	-173.9	-173.4	-145.9	0	0	0	114.1	A125 T127 R161 P163 C167 F169 W220 E377 A378 C379	A125-W419 HydrophobicContact CB-CE3 3.89Å; A125-W419 HydrophobicContact CB-CZ3 3.84Å; A125-W419 WeakPolarHBondContact CB-O 3.45Å; T127-W419 HydrophobicContact CG2-CH2 3.81Å; T127-W419 HydrophobicContact CG2-CZ2 4.15Å; T127-W419 HydrophobicContact CG2-CZ3 4.11Å; R161-W419 VanDerWaalsContact NH1-CE3 3.31Å; R161-W419 VanDerWaalsContact NH1-CZ3 3.32Å; P163-W419 HydrophobicContact CG-CH2 4.12Å; C167-W419 HydrophobicContact CB-CH2 4.41Å; C167-W419 HydrophobicContact CB-CZ2 4.43Å; F169-W419 AromaticContact CD2-CE2 3.77Å; F169-W419 AromaticContact CD2-CZ2 3.96Å; F169-W419 HydrophobicContact CD2-CZ2 3.96Å; F169-W419 AromaticContact CD2-NE1 3.18Å; F169-W419 AromaticContact CE2-CD1 3.69Å; F169-W419 AromaticContact CE2-NE1 3.16Å; W220-W419 HydrophobicContact CH2-CE3 4.37Å; W220-W419 AromaticContact CH2-CH2 2.91Å; W220-W419 HydrophobicContact CH2-CH2 2.91Å; W220-W419 AromaticContact CH2-CZ2 3.7Å; W220-W419 HydrophobicContact CH2-CZ2 3.7Å; W220-W419 AromaticContact CH2-CZ3 3.3Å; W220-W419 HydrophobicContact CH2-CZ3 3.3Å; W220-W419 AromaticContact CZ2-CH2 3.04Å; W220-W419 HydrophobicContact CZ2-CH2 3.04Å; W220-W419 AromaticContact CZ2-CZ2 3.26Å; W220-W419 HydrophobicContact CZ2-CZ2 3.26Å; W220-W419 AromaticContact CZ2-CZ3 3.74Å; W220-W419 HydrophobicContact CZ2-CZ3 3.74Å; W220-W419 AromaticContact CZ3-CH2 3.81Å; W220-W419 HydrophobicContact CZ3-CH2 3.81Å; W220-W419 HydrophobicContact CZ3-CZ3 4.28Å; E377-W419 HydrophobicContact CG-CB 3.89Å; E377-W419 HydrophobicContact CG-CD2 3.72Å; E377-W419 HydrophobicContact CG-CE3 3.76Å; E377-W419 HydrophobicContact CG-CG 3.77Å; A378-W419 WeakPolarHBondContact O-CB 3.28Å; A378-W419 PolarHBondContact O-N 3.06Å; C379-W419 HydrophobicContact CB-CB 3.94Å
420	N	98.7	Very high	98.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.			trans	-139.4	128.3	176.9	-71.5	-84	0	0	0	111.3	T127 D418 A422 L423 S438	T127-N420 WeakPolarHBondContact CB-OD1 3.17Å; T127-N420 WeakPolarHBondContact CG2-OD1 3.4Å; T127-N420 PolarHBondContact OG1-OD1 3.45Å; D418-N420 PolarHBondContact O-N 2.99Å; D418-N420 PolarHBondContact OD2-N 2.84Å; N420-A422 VanDerWaalsContact C-N 3.26Å; N420-A422 PolarHBondContact O-N 3.25Å; N420-L423 HydrophobicContact CB-CD1 3.98Å; N420-L423 HydrophobicContact CB-CD2 3.88Å; N420-L423 HydrophobicContact CB-CG 3.73Å; N420-S438 WeakPolarHBondContact O-CB 3.44Å
421	L	98.8	Very high	98.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.099	C	C	.	.	S	Bend	trans	-59.2	-39.1	171.1	-72.7	171.7	0	0	0	112	A125 F126 A130 Y149 Y150 Y157	A125-L421 WeakPolarHBondContact O-CG 3.45Å; A125-L421 PolarHBondContact O-N 2.98Å; F126-L421 HydrophobicContact CD1-CD1 3.61Å; F126-L421 HydrophobicContact CD2-CD1 4.27Å; F126-L421 HydrophobicContact CE1-CD1 3.52Å; F126-L421 HydrophobicContact CE2-CD1 4.19Å; F126-L421 HydrophobicContact CG-CD1 4Å; F126-L421 HydrophobicContact CZ-CD1 3.83Å; A130-L421 HydrophobicContact CB-CB 4.21Å; Y149-L421 HydrophobicContact CD1-CD2 4.2Å; Y149-L421 HydrophobicContact CD2-CD2 3.9Å; Y149-L421 HydrophobicContact CE1-CD2 4.35Å; Y149-L421 HydrophobicContact CE2-CB 4.23Å; Y149-L421 HydrophobicContact CE2-CD2 4.03Å; Y149-L421 WeakPolarHBondContact CE2-O 3.48Å; Y149-L421 HydrophobicContact CG-CD2 3.97Å; Y149-L421 PolarHBondContact OH-O 3.35Å; Y150-L421 HydrophobicContact CE2-CD1 4.33Å; Y150-L421 HydrophobicContact CE2-CD2 4.34Å; Y157-L421 HydrophobicContact CD2-CD2 4.01Å; Y157-L421 HydrophobicContact CE2-CD2 3.93Å
422	A	98.9	Very high	98.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.			trans	-154.5	141.4	179.5	0	0	0	0	0	111.4	A130 N133 L145 N420 I440 V442	A130-A422 VanDerWaalsContact CA-O 3.25Å; A130-A422 WeakPolarHBondContact CA-O 3.3Å; N133-A422 HydrophobicContact CB-CB 4.42Å; L145-A422 HydrophobicContact CD1-CB 4.12Å; N420-A422 VanDerWaalsContact C-N 3.26Å; N420-A422 PolarHBondContact O-N 3.25Å; A422-I440 WeakPolarHBondContact CA-O 3.19Å; A422-I440 HydrophobicContact CB-CG2 4.47Å; A422-V442 HydrophobicContact CB-CG2 4.17Å
423	L	98.9	Very high	98.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	165.1	172.3	-63.3	173.3	0	0	0	109.9	A129 N133 F169 N420 G428 V436 S438 I440 I441 V442	A129-L423 HydrophobicContact CB-CD2 3.8Å; N133-L423 WeakPolarHBondContact ND2-CA 3.31Å; F169-L423 HydrophobicContact CD1-CD2 3.59Å; F169-L423 HydrophobicContact CE1-CD1 3.87Å; F169-L423 HydrophobicContact CE1-CD2 3.63Å; F169-L423 HydrophobicContact CE1-CG 4.44Å; N420-L423 HydrophobicContact CB-CD1 3.98Å; N420-L423 HydrophobicContact CB-CD2 3.88Å; N420-L423 HydrophobicContact CB-CG 3.73Å; L423-G428 WeakPolarHBondContact CD2-O 3.13Å; L423-V436 HydrophobicContact CD1-CG2 3.75Å; L423-S438 WeakPolarHBondContact CB-OG 3.25Å; L423-S438 WeakPolarHBondContact CG-OG 3.14Å; L423-S438 PolarHBondContact N-OG 2.99Å; L423-I440 PolarHBondContact N-O 3.46Å; L423-I441 HydrophobicContact CB-CD1 4.34Å; L423-I441 CarbonylContact O-C 3.57Å; L423-I441 WeakPolarHBondContact O-CA 3.46Å; L423-V442 PolarHBondContact O-N 2.7Å
424	D	98.8	Very high	98.2	Very high	39 Å²	39	30.8 Å²	30.8	21%	0.209	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	179.7	173.4	63	19.9	0	0	0	112.4	N133 P390 Q426 G427 G428 V442	N133-D424 PolarHBondContact ND2-N 2.64Å; N133-D424 WeakPolarHBondContact OD1-CB 3.18Å; N133-D424 PolarHBondContact OD1-N 2.95Å; P390-D424 WeakPolarHBondContact CG-O 3.21Å; D424-Q426 PolarHBondContact O-N 2.92Å; D424-Q426 VanDerWaalsContact O-N 3.08Å; D424-Q426 WeakPolarHBondContact OD1-CA 3.4Å; D424-Q426 WeakPolarHBondContact OD1-CB 3.48Å; D424-Q426 PolarHBondContact OD1-N 3.13Å; D424-G427 PolarHBondContact O-N 3.48Å; D424-G427 PolarHBondContact OD1-N 2.93Å; D424-G428 PolarHBondContact N-O 3.49Å; D424-G428 PolarHBondContact OD1-N 3.31Å; D424-V442 WeakPolarHBondContact CA-O 3.32Å
425	L	98.4	Very high	98.1	Very high	89 Å²	89	32.4 Å²	32.4	47%	0.466	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.2	174.8	-70.8	172.7	0	0	0	114.7	L392 I441 V442 D443 Y450	L392-L425 HydrophobicContact CD1-CD2 3.97Å; L425-I441 HydrophobicContact CD2-CG2 3.92Å; L425-I441 HydrophobicContact CG-CG2 4.45Å; L425-V442 PolarHBondContact N-O 3.08Å; L425-D443 HydrophobicContact CD1-CB 4.07Å; L425-D443 HydrophobicContact CG-CB 4.29Å; L425-Y450 HydrophobicContact CD2-CD2 4.48Å; L425-Y450 HydrophobicContact CD2-CE2 4.15Å
426	Q	98	Very high	98.1	Very high	117 Å²	117	32.5 Å²	32.5	55%	0.547	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-20.9	175.3	176	165.1	82.8	0	0	112.1	P390 D424 F435	P390-Q426 VanDerWaalsContact CD-C 3.42Å; P390-Q426 WeakPolarHBondContact CD-O 3.42Å; D424-Q426 PolarHBondContact O-N 2.92Å; D424-Q426 VanDerWaalsContact O-N 3.08Å; D424-Q426 WeakPolarHBondContact OD1-CA 3.4Å; D424-Q426 WeakPolarHBondContact OD1-CB 3.48Å; D424-Q426 PolarHBondContact OD1-N 3.13Å; Q426-F435 VanDerWaalsContact CD-CE2 3.5Å; Q426-F435 VanDerWaalsContact CD-CZ 3.43Å; Q426-F435 HydrophobicContact CG-CD1 3.96Å; Q426-F435 HydrophobicContact CG-CD2 3.76Å; Q426-F435 HydrophobicContact CG-CE1 3.91Å; Q426-F435 HydrophobicContact CG-CE2 3.7Å; Q426-F435 HydrophobicContact CG-CG 3.89Å; Q426-F435 HydrophobicContact CG-CZ 3.79Å; Q426-F435 WeakPolarHBondContact O-CB 3.2Å
427	G	98.5	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	93.9	28.4	-175	0	0	0	0	0	113.6	F169 D424 F435 V436	F169-G427 WeakPolarHBondContact CE1-O 3.16Å; D424-G427 PolarHBondContact O-N 3.48Å; D424-G427 PolarHBondContact OD1-N 2.93Å; G427-F435 WeakPolarHBondContact O-CA 3.34Å; G427-V436 WeakPolarHBondContact CA-O 3.4Å; G427-V436 PolarHBondContact O-N 2.97Å
428	G	98.2	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.15	C	C	.	.			trans	-135.6	-157	-177.5	0	0	0	0	0	113.4	N133 L423 D424	N133-G428 PolarHBondContact ND2-O 3.41Å; L423-G428 WeakPolarHBondContact CD2-O 3.13Å; D424-G428 PolarHBondContact N-O 3.49Å; D424-G428 PolarHBondContact OD1-N 3.31Å
429	P	98.4	Very high	98.1	Very high	28 Å²	28	32.3 Å²	32.3	18%	0.182	15%	0.149	C	C	.	.			cis	-69.9	156.7	3.6	29	-36.9	0	0	0	113.8	A129 I132 T171	A129-P429 HydrophobicContact CB-CG 4.08Å; A129-P429 WeakPolarHBondContact CB-O 3.34Å; I132-P429 HydrophobicContact CB-CG 4.32Å; I132-P429 HydrophobicContact CD1-CG 3.66Å; I132-P429 HydrophobicContact CG2-CG 4.17Å; T171-P429 HydrophobicContact CG2-CB 4.01Å; T171-P429 HydrophobicContact CG2-CG 3.98Å
430	N	98	Very high	98.1	Very high	10 Å²	10	32.2 Å²	32.2	5%	0.053	15%	0.149	C	C	.	.			trans	-151.5	123.1	175.1	-178.2	-65	0	0	0	108.6	D168 F169 V432 R433 N434 F435	D168-N430 VanDerWaalsContact O-CA 3.32Å; D168-N430 WeakPolarHBondContact O-CA 3.3Å; D168-N430 PolarHBondContact O-ND2 2.94Å; D168-N430 VanDerWaalsContact O-ND2 3.07Å; D168-N430 PolarHBondContact O-OD1 3.02Å; D168-N430 PolarHBondContact OD2-ND2 3.32Å; F169-N430 HydrophobicContact CD1-CB 4.48Å; F169-N430 HydrophobicContact CE1-CB 4.47Å; F169-N430 WeakPolarHBondContact CE2-ND2 3.15Å; N430-V432 PolarHBondContact O-N 2.73Å; N430-V432 WeakPolarHBondContact OD1-CG2 3.4Å; N430-V432 PolarHBondContact OD1-N 3.13Å; N430-V432 VanDerWaalsContact OD1-N 3.17Å; N430-R433 PolarHBondContact O-N 2.86Å; N430-R433 PolarHBondContact OD1-N 3.16Å; N430-N434 PolarHBondContact ND2-O 2.77Å; N430-N434 WeakPolarHBondContact OD1-CB 3.21Å; N430-N434 PolarHBondContact OD1-N 2.9Å; N430-F435 HydrophobicContact CB-CD1 4.17Å; N430-F435 HydrophobicContact CB-CE1 4.23Å
431	W	97.5	Very high	98.1	Very high	74 Å²	74	32.2 Å²	32.2	28%	0.28	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-22.2	-168.4	72.4	-84.4	0	0	0	114	C167 D168 S170 L173 Y233 F287	C167-W431 PolarHBondContact O-NE1 3.23Å; D168-W431 VanDerWaalsContact O-CD1 3.31Å; D168-W431 PolarHBondContact O-N 3.42Å; S170-W431 VanDerWaalsContact O-CB 3.31Å; S170-W431 WeakPolarHBondContact O-CB 3.4Å; S170-W431 PolarHBondContact O-N 2.84Å; L173-W431 HydrophobicContact CD1-CH2 4.06Å; L173-W431 HydrophobicContact CD1-CZ2 4.34Å; L173-W431 HydrophobicContact CD1-CZ3 4.44Å; L173-W431 HydrophobicContact CD2-CD2 4.46Å; L173-W431 HydrophobicContact CD2-CH2 3.96Å; L173-W431 HydrophobicContact CD2-CZ2 3.38Å; L173-W431 HydrophobicContact CG-CH2 4.13Å; L173-W431 HydrophobicContact CG-CZ2 3.99Å; L173-W431 HydrophobicContact CG-CZ3 4.45Å; Y233-W431 HydrophobicContact CD1-CH2 4.4Å; Y233-W431 HydrophobicContact CG-CH2 4.3Å; F287-W431 HydrophobicContact CB-CZ2 3.79Å
432	V	97	Very high	98.1	Very high	42 Å²	42	32.2 Å²	32.2	26%	0.255	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	8.5	173.6	-66.1	0	0	0	0	113.4	D168 P286 F287 N430 N434	D168-V432 HydrophobicContact CB-CG2 4.46Å; P286-V432 WeakPolarHBondContact O-CG1 3.27Å; F287-V432 HydrophobicContact CB-CG1 4.08Å; F287-V432 HydrophobicContact CB-CG2 3.97Å; F287-V432 HydrophobicContact CD1-CG2 3.85Å; F287-V432 HydrophobicContact CG-CG2 4.3Å; N430-V432 PolarHBondContact O-N 2.73Å; N430-V432 WeakPolarHBondContact OD1-CG2 3.4Å; N430-V432 PolarHBondContact OD1-N 3.13Å; N430-V432 VanDerWaalsContact OD1-N 3.17Å; V432-N434 HydrophobicContact CG2-CB 3.78Å; V432-N434 PolarHBondContact O-N 2.97Å
433	R	96	Very high	98.1	Very high	199 Å²	199	32.8 Å²	32.8	75%	0.751	15%	0.152	S	C	*	.			trans	61	29.3	-176.9	-51.6	176.3	174.6	177.2	-3.1	113.3	N430 F435	N430-R433 PolarHBondContact O-N 2.86Å; N430-R433 PolarHBondContact OD1-N 3.16Å; R433-F435 HydrophobicContact CB-CD2 4.38Å; R433-F435 HydrophobicContact CB-CE2 3.74Å; R433-F435 HydrophobicContact CB-CZ 3.94Å; R433-F435 HydrophobicContact CG-CE2 4.26Å; R433-F435 HydrophobicContact CG-CZ 4.14Å; R433-F435 PolarHBondContact O-N 3.41Å
434	N	95.3	Very high	98	Very high	36 Å²	36	35.9 Å²	35.9	19%	0.193	17%	0.171	C	C	.	.			trans	-79.6	60.9	172.5	-175.4	48.4	0	0	0	110.6	D168 F169 R388 N430 V432	D168-N434 PolarHBondContact OD2-ND2 3.33Å; F169-N434 WeakPolarHBondContact CZ-O 3.43Å; R388-N434 PolarHBondContact NH2-OD1 3.28Å; N430-N434 PolarHBondContact ND2-O 2.77Å; N430-N434 WeakPolarHBondContact OD1-CB 3.21Å; N430-N434 PolarHBondContact OD1-N 2.9Å; V432-N434 HydrophobicContact CG2-CB 3.78Å; V432-N434 PolarHBondContact O-N 2.97Å
435	F	97.4	Very high	98	Very high	37 Å²	37	40.3 Å²	40.3	16%	0.162	20%	0.2	C	C	.	.			trans	-69	143.7	-176.6	-53.8	-57.4	0	0	0	112.4	R388 Q426 G427 N430 R433	R388-F435 PolarHBondContact NE-O 3.4Å; R388-F435 PolarHBondContact NH2-O 3.04Å; Q426-F435 VanDerWaalsContact CD-CE2 3.5Å; Q426-F435 VanDerWaalsContact CD-CZ 3.43Å; Q426-F435 HydrophobicContact CG-CD1 3.96Å; Q426-F435 HydrophobicContact CG-CD2 3.76Å; Q426-F435 HydrophobicContact CG-CE1 3.91Å; Q426-F435 HydrophobicContact CG-CE2 3.7Å; Q426-F435 HydrophobicContact CG-CG 3.89Å; Q426-F435 HydrophobicContact CG-CZ 3.79Å; Q426-F435 WeakPolarHBondContact O-CB 3.2Å; G427-F435 WeakPolarHBondContact O-CA 3.34Å; N430-F435 HydrophobicContact CB-CD1 4.17Å; N430-F435 HydrophobicContact CB-CE1 4.23Å; R433-F435 HydrophobicContact CB-CD2 4.38Å; R433-F435 HydrophobicContact CB-CE2 3.74Å; R433-F435 HydrophobicContact CB-CZ 3.94Å; R433-F435 HydrophobicContact CG-CE2 4.26Å; R433-F435 HydrophobicContact CG-CZ 4.14Å; R433-F435 PolarHBondContact O-N 3.41Å
436	V	98.4	Very high	97.9	Very high	3 Å²	3	41 Å²	41	2%	0.018	20%	0.204	C	C	.	.			trans	-142.1	179.2	-179.9	-53.8	0	0	0	0	110.7	F169 C379 W382 L423 G427	F169-V436 HydrophobicContact CE1-CG2 3.9Å; F169-V436 HydrophobicContact CE2-CG2 4.12Å; F169-V436 HydrophobicContact CZ-CB 4.19Å; F169-V436 HydrophobicContact CZ-CG1 4.07Å; F169-V436 HydrophobicContact CZ-CG2 3.28Å; C379-V436 HydrophobicContact CB-CG2 4.29Å; W382-V436 HydrophobicContact CB-CG1 3.91Å; L423-V436 HydrophobicContact CD1-CG2 3.75Å; G427-V436 WeakPolarHBondContact CA-O 3.4Å; G427-V436 PolarHBondContact O-N 2.97Å
437	D	98.3	Very high	98	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	19%	0.187	C	C	.	.			trans	-93	163.4	175.7	-155.6	7.6	0	0	0	112.9	E380 P390 R397 Q452	E380-D437 HydrophobicContact CB-CB 4.26Å; E380-D437 VanDerWaalsContact O-CB 3.32Å; E380-D437 WeakPolarHBondContact O-CB 3.39Å; E380-D437 PolarHBondContact O-N 3.18Å; P390-D437 VanDerWaalsContact CA-OD1 3.25Å; P390-D437 WeakPolarHBondContact CA-OD1 3.46Å; P390-D437 WeakPolarHBondContact CB-OD1 3.43Å; R397-D437 WeakPolarHBondContact CD-OD2 3.41Å; R397-D437 IonicContact CZ-OD2 3.75Å; R397-D437 IonicContact NE-OD2 3.67Å; R397-D437 VanDerWaalsContact NH1-CB 3.27Å; R397-D437 IonicContact NH1-OD1 3.93Å; R397-D437 IonicContact NH1-OD2 2.76Å; R397-D437 PolarHBondContact NH1-OD2 2.86Å; D437-Q452 PolarHBondContact OD1-NE2 3Å; D437-Q452 PolarHBondContact OD2-NE2 2.78Å
438	S	98.7	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.			trans	-145.2	156.6	171.2	56.5	0	0	0	0	112.4	N420 L423 I440 I441 Q452	N420-S438 WeakPolarHBondContact O-CB 3.44Å; L423-S438 WeakPolarHBondContact CB-OG 3.25Å; L423-S438 WeakPolarHBondContact CG-OG 3.14Å; L423-S438 PolarHBondContact N-OG 2.99Å; S438-I440 PolarHBondContact O-N 2.96Å; S438-I440 PolarHBondContact OG-O 3.44Å; S438-I441 VanDerWaalsContact OG-CD1 3.27Å; S438-I441 WeakPolarHBondContact OG-CD1 3.33Å; S438-Q452 PolarHBondContact O-NE2 3.46Å
439	P	98.8	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-62.5	-27.4	-177.5	-21.2	31.3	0	0	0	114.8	Y401 D418 Q452 T454 L458	Y401-P439 HydrophobicContact CE1-CG 4.37Å; D418-P439 HydrophobicContact CB-CG 4.35Å; D418-P439 WeakPolarHBondContact OD1-CG 3.28Å; D418-P439 WeakPolarHBondContact OD2-CD 3.46Å; P439-Q452 WeakPolarHBondContact O-CB 3.46Å; P439-Q452 PolarHBondContact O-N 3.08Å; P439-T454 WeakPolarHBondContact CA-OG1 3.41Å; P439-L458 HydrophobicContact CB-CD1 3.78Å; P439-L458 HydrophobicContact CG-CD1 3.35Å
440	I	98.9	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.2	167.8	-71	-176.5	0	0	0	109.7	L145 Y149 A422 L423 S438 F449 Y450 K451 Y455	L145-I440 HydrophobicContact CD1-CG2 4Å; L145-I440 HydrophobicContact CG-CD1 4.33Å; L145-I440 HydrophobicContact CG-CG2 4.21Å; Y149-I440 HydrophobicContact CD2-CD1 4.13Å; Y149-I440 HydrophobicContact CE2-CB 4.27Å; Y149-I440 HydrophobicContact CE2-CD1 3.44Å; Y149-I440 VanDerWaalsContact CE2-CD1 3.44Å; Y149-I440 HydrophobicContact CE2-CG1 3.97Å; Y149-I440 WeakPolarHBondContact OH-CG1 3.41Å; Y149-I440 PolarHBondContact OH-N 3.3Å; A422-I440 WeakPolarHBondContact CA-O 3.19Å; A422-I440 HydrophobicContact CB-CG2 4.47Å; L423-I440 PolarHBondContact N-O 3.46Å; S438-I440 PolarHBondContact O-N 2.96Å; S438-I440 PolarHBondContact OG-O 3.44Å; I440-F449 HydrophobicContact CD1-CD2 4.21Å; I440-F449 HydrophobicContact CD1-CE2 4.04Å; I440-F449 HydrophobicContact CG2-CB 3.92Å; I440-F449 HydrophobicContact CG2-CD2 3.61Å; I440-F449 HydrophobicContact CG2-CE2 4.43Å; I440-F449 HydrophobicContact CG2-CG 4.02Å; I440-Y450 WeakPolarHBondContact CA-O 3.48Å; I440-K451 HydrophobicContact CD1-CG 4.03Å; I440-K451 HydrophobicContact CG1-CG 3.97Å; I440-Y455 HydrophobicContact CD1-CD2 4.11Å; I440-Y455 HydrophobicContact CD1-CE2 4.24Å; I440-Y455 HydrophobicContact CG1-CD2 4.12Å
441	I	98.9	Very high	98.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.4	176.1	-58.7	-63.2	0	0	0	110.2	P390 L392 L423 L425 S438 F449 Y450 Q452	P390-I441 HydrophobicContact CB-CD1 3.71Å; P390-I441 HydrophobicContact CB-CG1 4.02Å; P390-I441 HydrophobicContact CG-CD1 3.53Å; P390-I441 HydrophobicContact CG-CG1 4.34Å; L392-I441 HydrophobicContact CD2-CB 3.79Å; L392-I441 HydrophobicContact CD2-CG1 3.82Å; L392-I441 HydrophobicContact CD2-CG2 3.99Å; L423-I441 HydrophobicContact CB-CD1 4.34Å; L423-I441 CarbonylContact O-C 3.57Å; L423-I441 WeakPolarHBondContact O-CA 3.46Å; L425-I441 HydrophobicContact CD2-CG2 3.92Å; L425-I441 HydrophobicContact CG-CG2 4.45Å; S438-I441 VanDerWaalsContact OG-CD1 3.27Å; S438-I441 WeakPolarHBondContact OG-CD1 3.33Å; I441-F449 CarbonylContact O-C 3.59Å; I441-F449 VanDerWaalsContact O-CA 3.26Å; I441-F449 WeakPolarHBondContact O-CA 3.31Å; I441-F449 WeakPolarHBondContact O-CB 3.23Å; I441-Y450 PolarHBondContact N-O 3.03Å; I441-Y450 PolarHBondContact O-N 3.26Å; I441-Q452 HydrophobicContact CG1-CG 4.23Å
442	V	98.9	Very high	98.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	130.2	-178	176.5	0	0	0	0	110.8	N133 L137 L145 A422 L423 D424 L425 F449	N133-V442 HydrophobicContact CB-CB 4.12Å; N133-V442 HydrophobicContact CB-CG2 3.98Å; L137-V442 HydrophobicContact CD1-CG1 4.14Å; L137-V442 HydrophobicContact CD1-CG2 4.1Å; L137-V442 HydrophobicContact CD2-CG1 3.85Å; L137-V442 HydrophobicContact CG-CG1 3.85Å; L145-V442 HydrophobicContact CD1-CG2 3.86Å; A422-V442 HydrophobicContact CB-CG2 4.17Å; L423-V442 PolarHBondContact O-N 2.7Å; D424-V442 WeakPolarHBondContact CA-O 3.32Å; L425-V442 PolarHBondContact N-O 3.08Å; V442-F449 HydrophobicContact CG2-CB 4.17Å
443	D	98.7	Very high	98.2	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.064	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	86.2	168.7	177.7	-2.8	0	0	0	108.5	L425 T445 N446 N447 V448 Y450	L425-D443 HydrophobicContact CD1-CB 4.07Å; L425-D443 HydrophobicContact CG-CB 4.29Å; D443-T445 PolarHBondContact O-N 2.96Å; D443-T445 PolarHBondContact OD1-N 2.95Å; D443-N446 PolarHBondContact O-N 2.64Å; D443-N446 PolarHBondContact OD1-N 3.38Å; D443-N446 PolarHBondContact OD1-ND2 3.08Å; D443-N446 PolarHBondContact OD2-ND2 2.7Å; D443-N447 PolarHBondContact O-N 2.84Å; D443-N447 VanDerWaalsContact O-N 3.1Å; D443-V448 CarbonylContact C-O 3.35Å; D443-V448 HydrophobicContact CB-CG2 3.8Å; D443-V448 PolarHBondContact N-O 3.33Å; D443-V448 PolarHBondContact O-N 2.75Å; D443-Y450 HydrophobicContact CB-CE2 3.77Å; D443-Y450 PolarHBondContact OD2-OH 2.72Å
444	T	97	Very high	98.3	Very high	65 Å²	65	22 Å²	22	40%	0.399	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-56	-35.8	-179	-58	0	0	0	0	112.5	S136 N446 N447	S136-T444 WeakPolarHBondContact CB-OG1 3.43Å; S136-T444 PolarHBondContact OG-OG1 3.35Å; T444-N446 PolarHBondContact O-N 3.04Å; T444-N447 PolarHBondContact O-N 2.98Å
445	T	97.7	Very high	98.5	Very high	132 Å²	132	20.2 Å²	20.2	81%	0.81	11%	0.114	S	C	*	.	G	3₁₀ helix	trans	-62.6	-37.1	-176.4	-55	0	0	0	0	111.3	D443	D443-T445 PolarHBondContact O-N 2.96Å; D443-T445 PolarHBondContact OD1-N 2.95Å
446	N	98	Very high	98.6	Very high	103 Å²	103	18.5 Å²	18.5	55%	0.551	11%	0.106	S	C	*	.	G	3₁₀ helix	trans	-99.3	1.5	-179.2	-65	-61.7	0	0	0	112.9	D443 T444 V448	D443-N446 PolarHBondContact O-N 2.64Å; D443-N446 PolarHBondContact OD1-N 3.38Å; D443-N446 PolarHBondContact OD1-ND2 3.08Å; D443-N446 PolarHBondContact OD2-ND2 2.7Å; T444-N446 PolarHBondContact O-N 3.04Å; N446-V448 HydrophobicContact CB-CG1 4.33Å; N446-V448 HydrophobicContact CB-CG2 3.95Å; N446-V448 WeakPolarHBondContact O-CG1 2.91Å; N446-V448 PolarHBondContact O-N 2.92Å
447	N	98.4	Very high	98.6	Very high	37 Å²	37	18.4 Å²	18.4	20%	0.198	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	42	-172.4	-169.6	46.9	0	0	0	112.4	E58 S138 D443 T444	E58-N447 PolarHBondContact OE1-ND2 3.05Å; S138-N447 PolarHBondContact N-OD1 3.48Å; S138-N447 PolarHBondContact OG-ND2 2.87Å; D443-N447 PolarHBondContact O-N 2.84Å; D443-N447 VanDerWaalsContact O-N 3.1Å; T444-N447 PolarHBondContact O-N 2.98Å
448	V	98.7	Very high	98.6	Very high	16 Å²	16	18.4 Å²	18.4	10%	0.097	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	161.3	177.3	-56.8	0	0	0	0	110.4	V55 C56 N57 D443 N446 Y450	V55-V448 HydrophobicContact CG1-CB 4.37Å; V55-V448 HydrophobicContact CG1-CG1 4.5Å; C56-V448 VanDerWaalsContact O-CA 3.3Å; C56-V448 WeakPolarHBondContact O-CA 3.15Å; C56-V448 VanDerWaalsContact O-CB 3.28Å; C56-V448 WeakPolarHBondContact O-CB 3.29Å; N57-V448 HydrophobicContact CB-CG1 3.75Å; D443-V448 CarbonylContact C-O 3.35Å; D443-V448 HydrophobicContact CB-CG2 3.8Å; D443-V448 PolarHBondContact N-O 3.33Å; D443-V448 PolarHBondContact O-N 2.75Å; N446-V448 HydrophobicContact CB-CG1 4.33Å; N446-V448 HydrophobicContact CB-CG2 3.95Å; N446-V448 WeakPolarHBondContact O-CG1 2.91Å; N446-V448 PolarHBondContact O-N 2.92Å; V448-Y450 HydrophobicContact CG2-CE1 4.31Å; V448-Y450 HydrophobicContact CG2-CE2 4.36Å
449	F	98.9	Very high	98.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	155.4	163.6	66.3	-96.4	0	0	0	110.9	C56 L137 M141 Q144 L145 I440 I441 V442 K451	C56-F449 HydrophobicContact CB-CD1 4.03Å; C56-F449 HydrophobicContact CB-CD2 3.86Å; C56-F449 HydrophobicContact CB-CE1 3.6Å; C56-F449 HydrophobicContact CB-CE2 3.44Å; C56-F449 VanDerWaalsContact CB-CE2 3.44Å; C56-F449 HydrophobicContact CB-CG 4.15Å; C56-F449 HydrophobicContact CB-CZ 3.29Å; C56-F449 PolarHBondContact N-O 3.15Å; C56-F449 PolarHBondContact O-N 2.73Å; C56-F449 VanDerWaalsContact O-N 3.1Å; C56-F449 VanDerWaalsContact SG-CE2 3.56Å; L137-F449 HydrophobicContact CD1-CD1 4.14Å; M141-F449 HydrophobicContact CE-CD1 3.41Å; M141-F449 VanDerWaalsContact CE-CD1 3.41Å; M141-F449 HydrophobicContact CE-CE1 3.42Å; M141-F449 VanDerWaalsContact CE-CE1 3.42Å; Q144-F449 HydrophobicContact CB-CE1 4.11Å; Q144-F449 HydrophobicContact CB-CZ 4.24Å; L145-F449 HydrophobicContact CB-CD1 4.16Å; L145-F449 HydrophobicContact CB-CE1 3.82Å; L145-F449 HydrophobicContact CB-CZ 4.08Å; L145-F449 HydrophobicContact CD1-CD1 4.35Å; L145-F449 HydrophobicContact CD1-CG 4.4Å; I440-F449 HydrophobicContact CD1-CD2 4.21Å; I440-F449 HydrophobicContact CD1-CE2 4.04Å; I440-F449 HydrophobicContact CG2-CB 3.92Å; I440-F449 HydrophobicContact CG2-CD2 3.61Å; I440-F449 HydrophobicContact CG2-CE2 4.43Å; I440-F449 HydrophobicContact CG2-CG 4.02Å; I441-F449 CarbonylContact O-C 3.59Å; I441-F449 VanDerWaalsContact O-CA 3.26Å; I441-F449 WeakPolarHBondContact O-CA 3.31Å; I441-F449 WeakPolarHBondContact O-CB 3.23Å; V442-F449 HydrophobicContact CG2-CB 4.17Å; F449-K451 HydrophobicContact CD2-CG 4.36Å; F449-K451 HydrophobicContact CE2-CD 4.49Å; F449-K451 HydrophobicContact CE2-CG 4.03Å
450	Y	98.8	Very high	98.6	Very high	9 Å²	9	18.4 Å²	18.4	4%	0.035	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.7	-178.4	-55.9	-67.4	0	0	0	109.2	K45 F47 V53 C54 V55 L392 L425 I440 I441 D443 V448	K45-Y450 HydrophobicContact CD-CE1 4.28Å; F47-Y450 HydrophobicContact CE2-CD1 4.34Å; F47-Y450 HydrophobicContact CE2-CE1 4.18Å; F47-Y450 HydrophobicContact CZ-CD1 4.48Å; F47-Y450 AromaticContact CZ-CE1 3.95Å; F47-Y450 HydrophobicContact CZ-CE1 3.95Å; F47-Y450 HydrophobicContact CZ-CE2 4.37Å; F47-Y450 AromaticContact CZ-CZ 3.89Å; V53-Y450 HydrophobicContact CG2-CD1 3.61Å; V53-Y450 HydrophobicContact CG2-CE1 4.46Å; V53-Y450 HydrophobicContact CG2-CG 4.09Å; C54-Y450 WeakPolarHBondContact O-CA 3.11Å; V55-Y450 HydrophobicContact CB-CD1 4.44Å; V55-Y450 HydrophobicContact CB-CE1 4.48Å; V55-Y450 HydrophobicContact CG1-CD1 4.39Å; V55-Y450 HydrophobicContact CG1-CE1 4.1Å; V55-Y450 HydrophobicContact CG2-CD1 3.94Å; V55-Y450 HydrophobicContact CG2-CE1 3.87Å; L392-Y450 HydrophobicContact CD1-CD2 3.99Å; L392-Y450 HydrophobicContact CD1-CE2 4.15Å; L392-Y450 HydrophobicContact CD2-CD2 4.09Å; L392-Y450 HydrophobicContact CD2-CG 4.35Å; L425-Y450 HydrophobicContact CD2-CD2 4.48Å; L425-Y450 HydrophobicContact CD2-CE2 4.15Å; I440-Y450 WeakPolarHBondContact CA-O 3.48Å; I441-Y450 PolarHBondContact N-O 3.03Å; I441-Y450 PolarHBondContact O-N 3.26Å; D443-Y450 HydrophobicContact CB-CE2 3.77Å; D443-Y450 PolarHBondContact OD2-OH 2.72Å; V448-Y450 HydrophobicContact CG2-CE1 4.31Å; V448-Y450 HydrophobicContact CG2-CE2 4.36Å
451	K	98.8	Very high	98.6	Very high	1 Å²	1	18.4 Å²	18.4	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	117.5	166.3	-67.2	169.3	-176	171.2	0	108.8	V53 C54 C61 D62 S148 I440 F449 Y455 Y456	V53-K451 WeakPolarHBondContact CA-O 3.47Å; V53-K451 WeakPolarHBondContact CB-O 3.23Å; C54-K451 HydrophobicContact CB-CB 4.37Å; C54-K451 PolarHBondContact N-O 2.95Å; C54-K451 PolarHBondContact O-N 3.18Å; C61-K451 PolarHBondContact SG-NZ 3.26Å; C61-K451 VanDerWaalsContact SG-NZ 3.42Å; D62-K451 PolarHBondContact O-NZ 3.25Å; D62-K451 VanDerWaalsContact OD1-CD 3.26Å; D62-K451 WeakPolarHBondContact OD1-CD 3.28Å; D62-K451 WeakPolarHBondContact OD1-CE 3.39Å; D62-K451 IonicContact OD1-NZ 3.82Å; D62-K451 PolarHBondContact OD1-NZ 3.5Å; D62-K451 IonicContact OD2-NZ 2.66Å; S148-K451 WeakPolarHBondContact OG-CE 3.38Å; S148-K451 PolarHBondContact OG-NZ 3.4Å; I440-K451 HydrophobicContact CD1-CG 4.03Å; I440-K451 HydrophobicContact CG1-CG 3.97Å; F449-K451 HydrophobicContact CD2-CG 4.36Å; F449-K451 HydrophobicContact CE2-CD 4.49Å; F449-K451 HydrophobicContact CE2-CG 4.03Å; K451-Y455 HydrophobicContact CB-CD1 3.98Å; K451-Y455 HydrophobicContact CB-CG 4.16Å; K451-Y455 HydrophobicContact CD-CD1 3.95Å; K451-Y455 HydrophobicContact CD-CE1 3.68Å; K451-Y455 HydrophobicContact CD-CE2 4.48Å; K451-Y455 HydrophobicContact CD-CG 4.48Å; K451-Y455 HydrophobicContact CG-CD1 4.11Å; K451-Y455 HydrophobicContact CG-CD2 4.47Å; K451-Y455 HydrophobicContact CG-CE1 4.29Å; K451-Y455 HydrophobicContact CG-CG 4.22Å; K451-Y456 HydrophobicContact CB-CE2 3.72Å; K451-Y456 WeakPolarHBondContact CB-OH 3.43Å; K451-Y456 VanDerWaalsContact CD-OH 3.25Å; K451-Y456 WeakPolarHBondContact CD-OH 3.45Å
452	Q	98.7	Very high	98.6	Very high	3 Å²	3	18.5 Å²	18.5	1%	0.014	11%	0.106	C	C	.	.			trans	-78.8	160.9	179.5	-62.2	-147.2	85.1	0	0	111.5	V53 V391 D437 S438 P439 I441 T454 Y455 Y456	V53-Q452 HydrophobicContact CG1-CG 4.5Å; V391-Q452 PolarHBondContact O-OE1 2.96Å; V391-Q452 VanDerWaalsContact O-OE1 3.13Å; D437-Q452 PolarHBondContact OD1-NE2 3Å; D437-Q452 PolarHBondContact OD2-NE2 2.78Å; S438-Q452 PolarHBondContact O-NE2 3.46Å; P439-Q452 WeakPolarHBondContact O-CB 3.46Å; P439-Q452 PolarHBondContact O-N 3.08Å; I441-Q452 HydrophobicContact CG1-CG 4.23Å; Q452-T454 WeakPolarHBondContact CB-OG1 3.39Å; Q452-T454 PolarHBondContact O-N 3.44Å; Q452-T454 VanDerWaalsContact O-N 3.07Å; Q452-Y455 WeakPolarHBondContact O-CB 3.35Å; Q452-Y455 PolarHBondContact O-N 3.3Å; Q452-Y456 VanDerWaalsContact O-CD2 3.27Å; Q452-Y456 WeakPolarHBondContact O-CD2 3.17Å
453	P	98.7	Very high	98.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-49.3	-33.6	171.1	-30.1	37.4	0	0	0	113.8	W395 A398 Y455 Y456 V457	W395-P453 HydrophobicContact CE3-CB 4.09Å; W395-P453 HydrophobicContact CZ3-CB 4.36Å; A398-P453 HydrophobicContact CB-CB 3.56Å; P453-Y455 VanDerWaalsContact C-N 3.34Å; P453-Y455 PolarHBondContact O-N 3.33Å; P453-Y456 PolarHBondContact O-N 2.87Å; P453-V457 WeakPolarHBondContact O-CG2 3.4Å; P453-V457 PolarHBondContact O-N 3.42Å
454	T	98.7	Very high	98.5	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-59.9	-36.6	175.2	46.8	0	0	0	0	113.1	R397 A398 Y401 P439 Q452 Y456 V457 L458	R397-T454 HydrophobicContact CB-CG2 4.08Å; A398-T454 HydrophobicContact CB-CG2 4.38Å; Y401-T454 HydrophobicContact CD1-CG2 4.2Å; Y401-T454 HydrophobicContact CD2-CG2 3.64Å; Y401-T454 HydrophobicContact CE1-CG2 4.34Å; Y401-T454 HydrophobicContact CE2-CG2 3.78Å; Y401-T454 HydrophobicContact CG-CG2 3.86Å; P439-T454 WeakPolarHBondContact CA-OG1 3.41Å; Q452-T454 WeakPolarHBondContact CB-OG1 3.39Å; Q452-T454 PolarHBondContact O-N 3.44Å; Q452-T454 VanDerWaalsContact O-N 3.07Å; T454-Y456 VanDerWaalsContact C-N 3.33Å; T454-Y456 PolarHBondContact O-N 2.78Å; T454-V457 WeakPolarHBondContact O-CB 3.31Å; T454-V457 PolarHBondContact O-N 3.46Å; T454-L458 WeakPolarHBondContact O-CD1 3.06Å; T454-L458 WeakPolarHBondContact O-CG 3.34Å; T454-L458 PolarHBondContact O-N 2.85Å
455	Y	98.9	Very high	98.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.6	-43.4	174.9	163.8	-86	0	0	0	111.5	S148 Y149 I155 I440 K451 Q452 P453 L458 G459	S148-Y455 WeakPolarHBondContact CB-OH 3.41Å; S148-Y455 PolarHBondContact O-OH 3.12Å; Y149-Y455 HydrophobicContact CD1-CD2 4.38Å; Y149-Y455 HydrophobicContact CD1-CE2 4.27Å; Y149-Y455 AromaticContact CE1-CD2 3.85Å; Y149-Y455 HydrophobicContact CE1-CD2 3.85Å; Y149-Y455 HydrophobicContact CE1-CE2 4.19Å; I155-Y455 HydrophobicContact CD1-CD2 3.81Å; I155-Y455 HydrophobicContact CD1-CE2 3.7Å; I155-Y455 HydrophobicContact CD1-CG 4.49Å; I155-Y455 HydrophobicContact CG1-CD2 4.5Å; I155-Y455 HydrophobicContact CG1-CE2 3.88Å; I155-Y455 HydrophobicContact CG2-CE1 3.9Å; I155-Y455 HydrophobicContact CG2-CE2 4.17Å; I440-Y455 HydrophobicContact CD1-CD2 4.11Å; I440-Y455 HydrophobicContact CD1-CE2 4.24Å; I440-Y455 HydrophobicContact CG1-CD2 4.12Å; K451-Y455 HydrophobicContact CB-CD1 3.98Å; K451-Y455 HydrophobicContact CB-CG 4.16Å; K451-Y455 HydrophobicContact CD-CD1 3.95Å; K451-Y455 HydrophobicContact CD-CE1 3.68Å; K451-Y455 HydrophobicContact CD-CE2 4.48Å; K451-Y455 HydrophobicContact CD-CG 4.48Å; K451-Y455 HydrophobicContact CG-CD1 4.11Å; K451-Y455 HydrophobicContact CG-CD2 4.47Å; K451-Y455 HydrophobicContact CG-CE1 4.29Å; K451-Y455 HydrophobicContact CG-CG 4.22Å; Q452-Y455 WeakPolarHBondContact O-CB 3.35Å; Q452-Y455 PolarHBondContact O-N 3.3Å; P453-Y455 VanDerWaalsContact C-N 3.34Å; P453-Y455 PolarHBondContact O-N 3.33Å; Y455-L458 WeakPolarHBondContact O-CB 3.41Å; Y455-L458 PolarHBondContact O-N 2.83Å; Y455-G459 PolarHBondContact O-N 2.98Å; Y455-G459 VanDerWaalsContact O-N 3.11Å
456	Y	98.7	Very high	98.6	Very high	1 Å²	1	10 Å²	10	0%	0.004	6%	0.055	C	C	.	.	H	α-helix	trans	-72.4	-36.6	-179.8	-61.5	-83.3	0	0	0	111.9	C54 D62 R86 L87 K451 Q452 P453 T454 L458 G459 H460	C54-Y456 HydrophobicContact CB-CE2 4.41Å; C54-Y456 WeakPolarHBondContact CB-OH 3.3Å; C54-Y456 VanDerWaalsContact SG-CZ 3.53Å; C54-Y456 PolarHBondContact SG-OH 2.75Å; D62-Y456 PolarHBondContact OD1-OH 3.01Å; D62-Y456 WeakPolarHBondContact OD2-CE1 3.45Å; D62-Y456 PolarHBondContact OD2-OH 2.91Å; R86-Y456 HydrophobicContact CB-CD1 3.67Å; R86-Y456 HydrophobicContact CB-CD2 4.4Å; R86-Y456 HydrophobicContact CB-CE1 3.66Å; R86-Y456 HydrophobicContact CB-CE2 4.4Å; R86-Y456 HydrophobicContact CB-CG 4.05Å; R86-Y456 VanDerWaalsContact CD-CE2 3.48Å; R86-Y456 HydrophobicContact CG-CD1 4.45Å; R86-Y456 HydrophobicContact CG-CD2 4.32Å; R86-Y456 HydrophobicContact CG-CE1 4.4Å; R86-Y456 HydrophobicContact CG-CE2 4.27Å; R86-Y456 HydrophobicContact CG-CG 4.41Å; L87-Y456 HydrophobicContact CB-CD1 4.48Å; L87-Y456 HydrophobicContact CD1-CD1 4.03Å; L87-Y456 HydrophobicContact CG-CD1 4.12Å; K451-Y456 HydrophobicContact CB-CE2 3.72Å; K451-Y456 WeakPolarHBondContact CB-OH 3.43Å; K451-Y456 VanDerWaalsContact CD-OH 3.25Å; K451-Y456 WeakPolarHBondContact CD-OH 3.45Å; Q452-Y456 VanDerWaalsContact O-CD2 3.27Å; Q452-Y456 WeakPolarHBondContact O-CD2 3.17Å; P453-Y456 PolarHBondContact O-N 2.87Å; T454-Y456 VanDerWaalsContact C-N 3.33Å; T454-Y456 PolarHBondContact O-N 2.78Å; Y456-L458 VanDerWaalsContact C-N 3.34Å; Y456-G459 WeakPolarHBondContact O-CA 3.32Å; Y456-G459 PolarHBondContact O-N 3.46Å; Y456-G459 VanDerWaalsContact O-N 3.12Å; Y456-H460 PolarHBondContact O-CD2 3.34Å; Y456-H460 VanDerWaalsContact O-CD2 3.25Å; Y456-H460 PolarHBondContact O-N 2.96Å
457	V	98.8	Very high	98.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-56.2	-49	170	165.7	0	0	0	0	110.8	A398 I402 P453 T454 G459 H460 F461 I530	A398-V457 HydrophobicContact CB-CG2 3.79Å; I402-V457 HydrophobicContact CB-CG1 4.33Å; I402-V457 HydrophobicContact CD1-CG2 3.82Å; I402-V457 HydrophobicContact CG1-CB 4.15Å; I402-V457 HydrophobicContact CG1-CG1 3.42Å; I402-V457 VanDerWaalsContact CG1-CG1 3.42Å; I402-V457 HydrophobicContact CG1-CG2 3.59Å; P453-V457 WeakPolarHBondContact O-CG2 3.4Å; P453-V457 PolarHBondContact O-N 3.42Å; T454-V457 WeakPolarHBondContact O-CB 3.31Å; T454-V457 PolarHBondContact O-N 3.46Å; V457-G459 PolarHBondContact O-N 2.97Å; V457-H460 WeakPolarHBondContact O-CB 3.36Å; V457-H460 PolarHBondContact O-N 2.96Å; V457-F461 HydrophobicContact CG1-CE2 4.01Å; V457-F461 WeakPolarHBondContact O-CD2 3.14Å; V457-F461 WeakPolarHBondContact O-CE2 3.42Å; V457-I530 HydrophobicContact CG2-CG2 4.49Å
458	L	98.9	Very high	98.6	Very high	2 Å²	2	4.8 Å²	4.8	1%	0.01	3%	0.029	C	C	.	.	H	α-helix	trans	-57.9	-35.7	176.4	-74.7	155.9	0	0	0	111.8	I155 Y157 Y401 I405 W416 P439 T454 Y455 Y456 H460 F461 S462	I155-L458 HydrophobicContact CD1-CB 4.11Å; Y157-L458 HydrophobicContact CE1-CB 4.33Å; Y157-L458 WeakPolarHBondContact OH-CD1 3.46Å; Y401-L458 HydrophobicContact CD1-CD1 4.11Å; Y401-L458 HydrophobicContact CD1-CD2 4.27Å; Y401-L458 HydrophobicContact CD1-CG 4.07Å; Y401-L458 HydrophobicContact CE1-CD1 3.91Å; Y401-L458 HydrophobicContact CE1-CD2 4.49Å; Y401-L458 HydrophobicContact CE1-CG 4.33Å; I405-L458 HydrophobicContact CD1-CD2 3.91Å; W416-L458 HydrophobicContact CE3-CD2 3.79Å; W416-L458 HydrophobicContact CH2-CD2 4.5Å; W416-L458 HydrophobicContact CZ3-CD2 3.58Å; P439-L458 HydrophobicContact CB-CD1 3.78Å; P439-L458 HydrophobicContact CG-CD1 3.35Å; T454-L458 WeakPolarHBondContact O-CD1 3.06Å; T454-L458 WeakPolarHBondContact O-CG 3.34Å; T454-L458 PolarHBondContact O-N 2.85Å; Y455-L458 WeakPolarHBondContact O-CB 3.41Å; Y455-L458 PolarHBondContact O-N 2.83Å; Y456-L458 VanDerWaalsContact C-N 3.34Å; L458-H460 VanDerWaalsContact C-N 3.31Å; L458-H460 PolarHBondContact O-N 3.14Å; L458-F461 PolarHBondContact O-N 3.2Å; L458-F461 VanDerWaalsContact O-N 3.16Å; L458-S462 WeakPolarHBondContact O-CB 3.43Å; L458-S462 PolarHBondContact O-N 3.17Å; L458-S462 PolarHBondContact O-OG 2.93Å
459	G	98.7	Very high	98.6	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-61.2	-30.9	174.6	0	0	0	0	0	115.4	I155 Y455 Y456 V457 F461 S462 K463	I155-G459 VanDerWaalsContact CG2-CA 3.47Å; Y455-G459 PolarHBondContact O-N 2.98Å; Y455-G459 VanDerWaalsContact O-N 3.11Å; Y456-G459 WeakPolarHBondContact O-CA 3.32Å; Y456-G459 PolarHBondContact O-N 3.46Å; Y456-G459 VanDerWaalsContact O-N 3.12Å; V457-G459 PolarHBondContact O-N 2.97Å; G459-F461 PolarHBondContact O-N 3.49Å; G459-S462 WeakPolarHBondContact CA-OG 3.31Å; G459-K463 VanDerWaalsContact O-CB 3.28Å; G459-K463 WeakPolarHBondContact O-CB 3.32Å; G459-K463 PolarHBondContact O-N 2.82Å
460	H	98.9	Very high	98.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.1	-26.7	175.4	-79.3	-92.2	0	0	0	112.8	Y78 T80 L87 Y456 V457 L458 I500 I530 T532	Y78-H460 PolarHBondContact O-CE1 2.9Å; Y78-H460 VanDerWaalsContact O-CE1 3.25Å; T80-H460 WeakPolarHBondContact CB-NE2 3.5Å; T80-H460 PolarHBondContact N-NE2 3.1Å; T80-H460 PolarHBondContact OG1-NE2 3.48Å; L87-H460 WeakPolarHBondContact CD2-NE2 3.35Å; Y456-H460 PolarHBondContact O-CD2 3.34Å; Y456-H460 VanDerWaalsContact O-CD2 3.25Å; Y456-H460 PolarHBondContact O-N 2.96Å; V457-H460 WeakPolarHBondContact O-CB 3.36Å; V457-H460 PolarHBondContact O-N 2.96Å; L458-H460 VanDerWaalsContact C-N 3.31Å; L458-H460 PolarHBondContact O-N 3.14Å; H460-I500 WeakPolarHBondContact O-CD1 3.38Å; H460-I530 HydrophobicContact CB-CD1 3.88Å; H460-I530 PolarHBondContact CE1-O 2.96Å; H460-T532 WeakPolarHBondContact CB-OG1 3.35Å; H460-T532 PolarHBondContact ND1-N 2.95Å; H460-T532 PolarHBondContact ND1-OG1 3.23Å; H460-T532 PolarHBondContact O-OG1 2.92Å
461	F	98.9	Very high	98.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-102.9	-54.1	-178.1	-50.1	-76.4	0	0	0	111.3	F122 I405 M406 L409 V457 L458 G459 K463 L465 I500 I530	F122-F461 HydrophobicContact CD1-CB 4.06Å; F122-F461 HydrophobicContact CD2-CB 4.48Å; F122-F461 HydrophobicContact CE1-CB 3.71Å; F122-F461 HydrophobicContact CE2-CB 4.16Å; F122-F461 HydrophobicContact CG-CB 4.44Å; F122-F461 HydrophobicContact CZ-CB 3.77Å; I405-F461 HydrophobicContact CB-CD2 4.19Å; I405-F461 HydrophobicContact CB-CE1 4.44Å; I405-F461 HydrophobicContact CB-CE2 3.89Å; I405-F461 HydrophobicContact CB-CZ 4.02Å; I405-F461 HydrophobicContact CD1-CD2 3.71Å; I405-F461 HydrophobicContact CD1-CE2 3.74Å; I405-F461 HydrophobicContact CG1-CE2 4.43Å; I405-F461 HydrophobicContact CG2-CB 4.3Å; I405-F461 HydrophobicContact CG2-CD1 3.65Å; I405-F461 HydrophobicContact CG2-CD2 3.62Å; I405-F461 HydrophobicContact CG2-CE1 3.76Å; I405-F461 HydrophobicContact CG2-CE2 3.73Å; I405-F461 HydrophobicContact CG2-CG 3.57Å; I405-F461 HydrophobicContact CG2-CZ 3.81Å; M406-F461 HydrophobicContact CG-CE1 3.87Å; M406-F461 HydrophobicContact CG-CZ 3.81Å; L409-F461 HydrophobicContact CD1-CD1 3.68Å; L409-F461 HydrophobicContact CD1-CE1 4.05Å; V457-F461 HydrophobicContact CG1-CE2 4.01Å; V457-F461 WeakPolarHBondContact O-CD2 3.14Å; V457-F461 WeakPolarHBondContact O-CE2 3.42Å; L458-F461 PolarHBondContact O-N 3.2Å; L458-F461 VanDerWaalsContact O-N 3.16Å; G459-F461 PolarHBondContact O-N 3.49Å; F461-K463 PolarHBondContact O-N 2.63Å; F461-L465 HydrophobicContact CB-CD1 4.45Å; F461-L465 HydrophobicContact CD1-CD1 4.24Å; F461-L465 WeakPolarHBondContact O-CA 3.44Å; F461-L465 WeakPolarHBondContact O-CB 3.33Å; F461-L465 PolarHBondContact O-N 3.47Å; F461-I500 HydrophobicContact CD1-CD1 3.64Å; F461-I500 HydrophobicContact CE1-CD1 3.8Å; F461-I500 HydrophobicContact CE1-CG2 4.15Å; F461-I530 HydrophobicContact CE2-CD1 4.26Å; F461-I530 HydrophobicContact CZ-CD1 3.86Å
462	S	98.7	Very high	98.6	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.014	4%	0.04	C	C	.	.	H	α-helix	trans	-58.5	-49.4	-177	48.5	0	0	0	0	113.6	I155 L458 G459	I155-S462 CarbonylContact O-C 3.57Å; I155-S462 VanDerWaalsContact O-CB 3.28Å; I155-S462 WeakPolarHBondContact O-CB 3.33Å; I155-S462 PolarHBondContact O-OG 3.43Å; L458-S462 WeakPolarHBondContact O-CB 3.43Å; L458-S462 PolarHBondContact O-N 3.17Å; L458-S462 PolarHBondContact O-OG 2.93Å; G459-S462 WeakPolarHBondContact CA-OG 3.31Å
463	K	97.9	Very high	98.5	Very high	8 Å²	8	8 Å²	8	4%	0.035	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-42.9	-177.1	-162.2	-178.8	-178.1	64.6	0	112.7	V64 P152 G154 I155 E156 G459 F461	V64-K463 HydrophobicContact CB-CD 4.27Å; V64-K463 HydrophobicContact CG1-CD 3.6Å; P152-K463 PolarHBondContact O-NZ 2.84Å; G154-K463 PolarHBondContact O-NZ 3.31Å; I155-K463 WeakPolarHBondContact O-CA 3.43Å; I155-K463 PolarHBondContact O-N 3.25Å; I155-K463 VanDerWaalsContact O-N 3.12Å; E156-K463 HydrophobicContact CB-CG 4.49Å; E156-K463 HydrophobicContact CG-CG 4.35Å; E156-K463 WeakPolarHBondContact OE2-CE 3.37Å; E156-K463 VanDerWaalsContact OE2-CG 3.25Å; E156-K463 WeakPolarHBondContact OE2-CG 3.46Å; E156-K463 IonicContact OE2-NZ 3.54Å; E156-K463 PolarHBondContact OE2-NZ 3.44Å; G459-K463 VanDerWaalsContact O-CB 3.28Å; G459-K463 WeakPolarHBondContact O-CB 3.32Å; G459-K463 PolarHBondContact O-N 2.82Å; F461-K463 PolarHBondContact O-N 2.63Å
464	F	98.4	Very high	98.3	Very high	1 Å²	1	10.1 Å²	10.1	0%	0.004	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-15.3	-169.9	-56.8	-59.5	0	0	0	114.2	Y78 L87 P466 R492 V498 T532 L534	Y78-F464 HydrophobicContact CD1-CE1 4.37Å; Y78-F464 HydrophobicContact CD1-CE2 4.32Å; Y78-F464 AromaticContact CD1-CZ 3.55Å; Y78-F464 HydrophobicContact CD1-CZ 3.55Å; Y78-F464 HydrophobicContact CD2-CD1 4.4Å; Y78-F464 AromaticContact CD2-CE1 3.52Å; Y78-F464 HydrophobicContact CD2-CE1 3.52Å; Y78-F464 AromaticContact CD2-CE2 3.95Å; Y78-F464 HydrophobicContact CD2-CE2 3.95Å; Y78-F464 AromaticContact CD2-CZ 3.26Å; Y78-F464 HydrophobicContact CD2-CZ 3.26Å; Y78-F464 HydrophobicContact CE1-CE1 4.27Å; Y78-F464 AromaticContact CE1-CZ 3.82Å; Y78-F464 HydrophobicContact CE1-CZ 3.82Å; Y78-F464 HydrophobicContact CE2-CD1 4.38Å; Y78-F464 AromaticContact CE2-CE1 3.39Å; Y78-F464 HydrophobicContact CE2-CE1 3.39Å; Y78-F464 AromaticContact CE2-CZ 3.54Å; Y78-F464 HydrophobicContact CE2-CZ 3.54Å; Y78-F464 HydrophobicContact CG-CE1 4.02Å; Y78-F464 AromaticContact CG-CE2 3.78Å; Y78-F464 HydrophobicContact CG-CE2 3.78Å; Y78-F464 AromaticContact CG-CZ 3.26Å; Y78-F464 HydrophobicContact CG-CZ 3.26Å; Y78-F464 AromaticContact CZ-CE1 3.8Å; Y78-F464 AromaticContact CZ-CZ 3.82Å; L87-F464 HydrophobicContact CD2-CE2 3.92Å; F464-P466 WeakPolarHBondContact O-CD 3.27Å; F464-R492 WeakPolarHBondContact O-CD 2.95Å; F464-R492 PolarHBondContact O-NH1 2.79Å; F464-V498 HydrophobicContact CB-CG1 4.25Å; F464-T532 HydrophobicContact CB-CG2 3.81Å; F464-T532 HydrophobicContact CD2-CG2 3.76Å; F464-T532 HydrophobicContact CG-CG2 3.85Å; F464-L534 HydrophobicContact CB-CD2 4.28Å; F464-L534 HydrophobicContact CD1-CD1 3.93Å; F464-L534 HydrophobicContact CD1-CD2 3.88Å; F464-L534 HydrophobicContact CE1-CD1 4.3Å; F464-L534 HydrophobicContact CG-CD1 4.27Å; F464-L534 HydrophobicContact CG-CD2 4.38Å
465	L	98.5	Very high	98.1	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-113.8	66.8	173.3	-50.2	179.1	0	0	0	110.1	I119 F122 L409 F461 F490 V498 I500	I119-L465 HydrophobicContact CG1-CB 4.42Å; I119-L465 WeakPolarHBondContact CG2-O 3.49Å; F122-L465 HydrophobicContact CE2-CB 3.98Å; F122-L465 HydrophobicContact CE2-CD1 4.48Å; F122-L465 HydrophobicContact CZ-CD1 4.29Å; L409-L465 HydrophobicContact CD1-CD1 4.04Å; F461-L465 HydrophobicContact CB-CD1 4.45Å; F461-L465 HydrophobicContact CD1-CD1 4.24Å; F461-L465 WeakPolarHBondContact O-CA 3.44Å; F461-L465 WeakPolarHBondContact O-CB 3.33Å; F461-L465 PolarHBondContact O-N 3.47Å; L465-F490 HydrophobicContact CD1-CD2 3.73Å; L465-F490 HydrophobicContact CD1-CE1 4.43Å; L465-F490 HydrophobicContact CD1-CE2 3.48Å; L465-F490 VanDerWaalsContact CD1-CE2 3.48Å; L465-F490 HydrophobicContact CD1-CG 4.3Å; L465-F490 HydrophobicContact CD1-CZ 3.9Å; L465-F490 HydrophobicContact CD2-CB 3.66Å; L465-F490 HydrophobicContact CD2-CD1 4.25Å; L465-F490 HydrophobicContact CD2-CD2 3.43Å; L465-F490 VanDerWaalsContact CD2-CD2 3.43Å; L465-F490 HydrophobicContact CD2-CE2 4.11Å; L465-F490 HydrophobicContact CD2-CG 3.53Å; L465-F490 HydrophobicContact CG-CD2 4.23Å; L465-F490 HydrophobicContact CG-CE2 4.45Å; L465-V498 HydrophobicContact CD2-CB 3.99Å; L465-V498 HydrophobicContact CD2-CG1 3.78Å; L465-V498 HydrophobicContact CD2-CG2 4.34Å; L465-I500 HydrophobicContact CD1-CD1 3.96Å; L465-I500 HydrophobicContact CD2-CD1 4.47Å; L465-I500 HydrophobicContact CG-CD1 4.27Å
466	P	97.9	Very high	97.7	Very high	24 Å²	24	13.9 Å²	13.9	16%	0.156	8%	0.078	C	C	.	.			trans	-60.9	159.5	178.5	28.2	-36.8	0	0	0	111	I211 F464 G468 S469 R492	I211-P466 HydrophobicContact CD1-CB 4.08Å; F464-P466 WeakPolarHBondContact O-CD 3.27Å; P466-G468 PolarHBondContact O-N 2.83Å; P466-S469 WeakPolarHBondContact CD-OG 3.49Å; P466-S469 WeakPolarHBondContact O-CB 3.22Å; P466-S469 PolarHBondContact O-N 3.04Å; P466-S469 PolarHBondContact O-OG 2.96Å; P466-R492 VanDerWaalsContact CD-NH1 3.26Å; P466-R492 HydrophobicContact CG-CG 4.45Å
467	P	98.7	Very high	97.1	Very high	27 Å²	27	19 Å²	19	18%	0.175	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	128.7	176.7	-28.7	35.7	0	0	0	112.1	I119 V120 T158 I211	I119-P467 CarbonylContact O-C 3.17Å; I119-P467 WeakPolarHBondContact O-CA 3.33Å; V120-P467 WeakPolarHBondContact O-CB 3.39Å; V120-P467 WeakPolarHBondContact O-CG 3.07Å; T158-P467 HydrophobicContact CG2-CG 3.91Å; I211-P467 HydrophobicContact CG2-CG 4.22Å
468	G	98.3	Very high	96	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.031	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.4	-7.2	-174.8	0	0	0	0	0	116.1	E118 I119 P466 K470 K493	E118-G468 VanDerWaalsContact OE1-CA 3.3Å; E118-G468 WeakPolarHBondContact OE1-CA 3.32Å; I119-G468 PolarHBondContact O-N 3.18Å; P466-G468 PolarHBondContact O-N 2.83Å; G468-K470 PolarHBondContact O-N 2.86Å; G468-K493 WeakPolarHBondContact O-CE 3.03Å
469	S	98.6	Very high	94.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	13%	0.129	C	C	.	.			trans	-64.7	131.8	171.1	-57	0	0	0	0	109.8	E118 I119 P466 K491	E118-S469 CarbonylContact C-O 3.48Å; E118-S469 WeakPolarHBondContact CA-O 3.38Å; I119-S469 WeakPolarHBondContact CG1-O 3.34Å; I119-S469 PolarHBondContact N-O 3.23Å; P466-S469 WeakPolarHBondContact CD-OG 3.49Å; P466-S469 WeakPolarHBondContact O-CB 3.22Å; P466-S469 PolarHBondContact O-N 3.04Å; P466-S469 PolarHBondContact O-OG 2.96Å; S469-K491 CarbonylContact C-O 3.51Å; S469-K491 WeakPolarHBondContact CA-O 3.31Å
470	K	98.6	Very high	92.8	Very high	68 Å²	68	25.7 Å²	25.7	30%	0.296	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.7	179.3	-68.7	-174.7	-178.9	-174.1	0	110.9	E115 Q117 E118 G468 F490 K491	E115-K470 HydrophobicContact CB-CD 4.2Å; E115-K470 HydrophobicContact CG-CD 4.37Å; E115-K470 WeakPolarHBondContact OE2-CD 3.48Å; E115-K470 WeakPolarHBondContact OE2-CE 3.4Å; E115-K470 IonicContact OE2-NZ 3.68Å; E115-K470 PolarHBondContact OE2-NZ 3.01Å; Q117-K470 WeakPolarHBondContact O-CA 3.37Å; E118-K470 HydrophobicContact CB-CG 4.14Å; E118-K470 HydrophobicContact CG-CG 4.28Å; G468-K470 PolarHBondContact O-N 2.86Å; K470-F490 VanDerWaalsContact C-CD1 3.45Å; K470-F490 CarbonylContact O-C 3.57Å; K470-F490 WeakPolarHBondContact O-CA 3.36Å; K470-K491 PolarHBondContact N-O 2.82Å; K470-K491 PolarHBondContact O-N 2.79Å
471	R	98.4	Very high	90.6	Very high	18 Å²	18	37.6 Å²	37.6	7%	0.068	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	139.1	173.9	-169.9	174.8	77.5	117.4	-9.9	109	E115 M116 Q117 L409 N410 V488 A489 F490	E115-R471 CarbonylContact C-O 3.42Å; E115-R471 WeakPolarHBondContact CA-O 3.27Å; M116-R471 HydrophobicContact CB-CB 4.19Å; M116-R471 PolarHBondContact N-O 2.97Å; M116-R471 PolarHBondContact SD-NE 3.3Å; M116-R471 PolarHBondContact SD-NH2 2.8Å; Q117-R471 PolarHBondContact O-N 3.49Å; L409-R471 WeakPolarHBondContact O-CD 3.12Å; L409-R471 PolarHBondContact O-NE 2.88Å; N410-R471 PolarHBondContact O-NH1 3.42Å; N410-R471 PolarHBondContact O-NH2 3.34Å; N410-R471 PolarHBondContact OD1-NH1 3.12Å; R471-V488 HydrophobicContact CG-CG2 4.07Å; R471-A489 WeakPolarHBondContact CA-O 3.45Å; R471-A489 WeakPolarHBondContact CG-O 3.37Å; R471-F490 VanDerWaalsContact CA-CD1 3.44Å; R471-F490 HydrophobicContact CB-CD1 3.93Å; R471-F490 HydrophobicContact CB-CE1 3.55Å; R471-F490 HydrophobicContact CB-CZ 4.04Å; R471-F490 HydrophobicContact CG-CE1 4.14Å; R471-F490 HydrophobicContact CG-CZ 4.13Å; R471-F490 VanDerWaalsContact N-CD1 3.32Å
472	I	97.8	Very high	88.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.4	173.7	58.7	176	0	0	0	109.6	L110 M112 E115 A489 K491 I497	L110-I472 HydrophobicContact CB-CD1 4.22Å; L110-I472 HydrophobicContact CD1-CD1 4.13Å; M112-I472 HydrophobicContact SD-CD1 3.82Å; E115-I472 HydrophobicContact CG-CG2 4.31Å; I472-A489 HydrophobicContact CD1-CB 4.06Å; I472-A489 HydrophobicContact CG1-CB 3.66Å; I472-A489 PolarHBondContact N-O 2.82Å; I472-K491 HydrophobicContact CG2-CB 4.08Å; I472-I497 HydrophobicContact CD1-CG2 4.3Å
473	A	96.7	Very high	87.4	Confident	8 Å²	8	45.5 Å²	45.5	7%	0.066	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	152	175.7	0	0	0	0	0	111.1	Q111 K114 M116	Q111-A473 HydrophobicContact CB-CB 4.1Å; Q111-A473 PolarHBondContact N-O 3.27Å; K114-A473 HydrophobicContact CB-CB 3.96Å; K114-A473 HydrophobicContact CD-CB 3.69Å; K114-A473 HydrophobicContact CG-CB 3.88Å; K114-A473 PolarHBondContact O-N 3Å; K114-A473 VanDerWaalsContact O-N 3.08Å; M116-A473 HydrophobicContact CE-CB 3.72Å; M116-A473 HydrophobicContact SD-CB 4.48Å
474	H	95.2	Very high	86.5	Confident	46 Å²	46	50.3 Å²	50.3	21%	0.213	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.9	175.8	63.1	-83.8	0	0	0	110	I108 S109 L110 I487	I108-H474 HydrophobicContact CG2-CB 4.44Å; S109-H474 CarbonylContact O-C 3.53Å; S109-H474 VanDerWaalsContact O-CA 3.23Å; S109-H474 WeakPolarHBondContact O-CA 3.31Å; L110-H474 HydrophobicContact CD2-CB 3.88Å; H474-I487 PolarHBondContact CE1-O 2.79Å
475	T	94.1	Very high	85.9	Confident	61 Å²	61	51.4 Å²	51.4	37%	0.374	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	145.2	164.4	53.3	0	0	0	0	108.8	I108 S109	I108-T475 CarbonylContact C-O 3.44Å; I108-T475 WeakPolarHBondContact CA-O 3.36Å; S109-T475 PolarHBondContact N-O 3.24Å; S109-T475 PolarHBondContact O-N 3.48Å
476	A	91.6	Very high	85.6	Confident	22 Å²	22	53.8 Å²	53.8	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	117.8	177.9	0	0	0	0	0	108.6	I106 V107 I108 L484 I487	I106-A476 HydrophobicContact CD1-CB 3.87Å; I106-A476 HydrophobicContact CG1-CB 4.22Å; V107-A476 WeakPolarHBondContact O-CA 3.4Å; I108-A476 HydrophobicContact CG1-CB 4.42Å; A476-L484 HydrophobicContact CB-CD2 4.42Å; A476-I487 HydrophobicContact CB-CD1 3.58Å
477	N	85.5	Confident	85.6	Confident	108 Å²	108	53 Å²	53	58%	0.578	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.7	177.8	-70	-36.8	0	0	0	108.7	V107	V107-N477 PolarHBondContact N-O 2.84Å; V107-N477 PolarHBondContact O-N 3.37Å
478	L	75.5	Confident	85.5	Confident	38 Å²	38	51.7 Å²	51.7	20%	0.199	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	130.4	177	-169.3	77.4	0	0	0	110.4	I106 G480 H482 L484	I106-L478 HydrophobicContact CB-CD1 3.98Å; I106-L478 HydrophobicContact CG1-CD1 4.38Å; L478-G480 VanDerWaalsContact C-N 3.32Å; L478-G480 WeakPolarHBondContact CD2-O 3.3Å; L478-G480 PolarHBondContact O-N 3.17Å; L478-H482 HydrophobicContact CD1-CB 4.5Å; L478-H482 HydrophobicContact CD2-CB 3.59Å; L478-H482 WeakPolarHBondContact CD2-O 3.29Å; L478-L484 HydrophobicContact CB-CD2 4.25Å
479	T	67.5	Low	85.6	Confident	52 Å²	52	51.5 Å²	51.5	32%	0.319	28%	0.275	S	S	.	.	S	Bend	trans	-87.2	64.4	168.9	60.9	0	0	0	0	110.6	G102 G104 S105	G102-T479 PolarHBondContact O-OG1 2.82Å; G104-T479 WeakPolarHBondContact CA-O 3.39Å; G104-T479 PolarHBondContact N-O 3.15Å; G104-T479 PolarHBondContact N-OG1 2.83Å; S105-T479 PolarHBondContact N-OG1 2.77Å; S105-T479 VanDerWaalsContact N-OG1 3.12Å; S105-T479 PolarHBondContact O-N 2.69Å; S105-T479 VanDerWaalsContact O-N 3.08Å; S105-T479 PolarHBondContact O-OG1 3.09Å
480	G	62.7	Low	85.6	Confident	53 Å²	53	51.5 Å²	51.5	55%	0.546	28%	0.275	S	S	.	.	S	Bend	trans	156.9	-159.4	-178.4	0	0	0	0	0	116.7	L478	L478-G480 VanDerWaalsContact C-N 3.32Å; L478-G480 WeakPolarHBondContact CD2-O 3.3Å; L478-G480 PolarHBondContact O-N 3.17Å
481	R	53	Low	85.5	Confident	249 Å²	249	50.7 Å²	50.7	94%	0.94	27%	0.272	S	S	*	.	S	Bend	trans	-108.9	62.1	-175.5	-72.3	-170.1	-178.8	-176.2	1.3	113.7
482	H	61	Low	85.4	Confident	75 Å²	75	51.3 Å²	51.3	35%	0.347	27%	0.274	S	S	.	.	S	Bend	trans	-124.6	157.6	170.8	-55.4	-87	0	0	0	110	L478 M505 E507	L478-H482 HydrophobicContact CD1-CB 4.5Å; L478-H482 HydrophobicContact CD2-CB 3.59Å; L478-H482 WeakPolarHBondContact CD2-O 3.29Å; H482-M505 HydrophobicContact CB-SD 3.98Å; H482-E507 IonicContact CE1-OE1 2.82Å; H482-E507 PolarHBondContact CE1-OE1 2.83Å; H482-E507 IonicContact ND1-OE1 2.75Å; H482-E507 PolarHBondContact ND1-OE1 3.03Å
483	S	70.5	Confident	85.3	Confident	94 Å²	94	58.4 Å²	58.4	66%	0.657	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-65.2	146.2	166.2	45	0	0	0	0	109.6
484	L	77.1	Confident	85.1	Confident	109 Å²	109	62.3 Å²	62.3	57%	0.571	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-64.8	130.6	174.2	-71.8	171.3	0	0	0	109.2	I106 A476 L478	I106-L484 HydrophobicContact CD1-CD2 4.01Å; A476-L484 HydrophobicContact CB-CD2 4.42Å; L478-L484 HydrophobicContact CB-CD2 4.25Å
485	P	86.2	Confident	85	Confident	24 Å²	24	61.5 Å²	61.5	16%	0.156	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-66.7	159.7	173.8	32.7	-38.3	0	0	0	110.3	I106 I487 V501 H502 L509	I106-P485 HydrophobicContact CD1-CG 3.5Å; I106-P485 VanDerWaalsContact CD1-CG 3.5Å; P485-I487 HydrophobicContact CG-CD1 3.86Å; P485-I487 HydrophobicContact CG-CG1 4.05Å; P485-I487 PolarHBondContact O-N 2.87Å; P485-V501 HydrophobicContact CB-CG1 4.38Å; P485-V501 HydrophobicContact CG-CG1 4.5Å; P485-H502 VanDerWaalsContact CB-O 3.27Å; P485-H502 WeakPolarHBondContact CB-O 3.49Å; P485-L509 HydrophobicContact CB-CD2 3.82Å; P485-L509 HydrophobicContact CG-CD2 3.78Å
486	Q	93	Very high	85.1	Confident	49 Å²	49	59.3 Å²	59.3	23%	0.229	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	130.5	166.7	-61	178.5	-65.5	0	0	108.6	R403 M406 H502	R403-Q486 PolarHBondContact O-NE2 3.31Å; M406-Q486 HydrophobicContact CB-CB 4.29Å; M406-Q486 HydrophobicContact CE-CB 3.79Å; M406-Q486 WeakPolarHBondContact CE-O 3.38Å; M406-Q486 HydrophobicContact SD-CB 3.78Å; Q486-H502 HydrophobicContact CB-CB 4.22Å; Q486-H502 PolarHBondContact O-N 2.88Å; Q486-H502 PolarHBondContact OE1-ND1 2.84Å
487	I	97.2	Very high	85.3	Confident	7 Å²	7	58.3 Å²	58.3	4%	0.036	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	141.8	-179.9	-63.4	158	0	0	0	108.1	I106 I108 N410 H474 A476 P485 L499 I500 V501	I106-I487 HydrophobicContact CD1-CD1 4.05Å; I108-I487 HydrophobicContact CD1-CD1 3.51Å; I108-I487 HydrophobicContact CD1-CG1 3.95Å; I108-I487 HydrophobicContact CD1-CG2 4.26Å; I108-I487 HydrophobicContact CG1-CD1 3.81Å; I108-I487 HydrophobicContact CG2-CG2 4.35Å; N410-I487 PolarHBondContact ND2-O 3.11Å; N410-I487 PolarHBondContact OD1-O 2.83Å; H474-I487 PolarHBondContact CE1-O 2.79Å; A476-I487 HydrophobicContact CB-CD1 3.58Å; P485-I487 HydrophobicContact CG-CD1 3.86Å; P485-I487 HydrophobicContact CG-CG1 4.05Å; P485-I487 PolarHBondContact O-N 2.87Å; I487-L499 HydrophobicContact CG2-CD1 3.6Å; I487-I500 WeakPolarHBondContact CA-O 3.19Å; I487-V501 HydrophobicContact CG1-CG1 4.3Å
488	V	98.2	Very high	85.9	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	145.1	163.6	70.7	0	0	0	0	109.3	M406 L409 R471 F490 I500	M406-V488 HydrophobicContact CE-CB 4.42Å; M406-V488 HydrophobicContact CE-CG1 4.09Å; L409-V488 HydrophobicContact CB-CG2 4.29Å; L409-V488 HydrophobicContact CD1-CG1 4.48Å; R471-V488 HydrophobicContact CG-CG2 4.07Å; V488-F490 HydrophobicContact CB-CE2 4.08Å; V488-F490 HydrophobicContact CG1-CD2 4.36Å; V488-F490 HydrophobicContact CG1-CE2 3.71Å; V488-F490 HydrophobicContact CG2-CD2 4.08Å; V488-F490 HydrophobicContact CG2-CE2 3.27Å; V488-F490 HydrophobicContact CG2-CZ 3.78Å; V488-I500 HydrophobicContact CG1-CB 3.9Å; V488-I500 HydrophobicContact CG1-CD1 4.27Å; V488-I500 HydrophobicContact CG1-CG1 4.36Å; V488-I500 PolarHBondContact N-O 3.45Å; V488-I500 PolarHBondContact O-N 3.03Å
489	A	98.5	Very high	87	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.3	-179.1	0	0	0	0	0	110.9	L110 R471 I472 V498 L499	L110-A489 HydrophobicContact CD2-CB 3.62Å; R471-A489 WeakPolarHBondContact CA-O 3.45Å; R471-A489 WeakPolarHBondContact CG-O 3.37Å; I472-A489 HydrophobicContact CD1-CB 4.06Å; I472-A489 HydrophobicContact CG1-CB 3.66Å; I472-A489 PolarHBondContact N-O 2.82Å; A489-V498 CarbonylContact C-O 3.51Å; A489-V498 VanDerWaalsContact CA-O 3.22Å; A489-V498 WeakPolarHBondContact CA-O 3.42Å; A489-L499 HydrophobicContact CB-CD1 4.17Å
490	F	98.6	Very high	88.5	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.2	-177.3	-68.7	-98.5	0	0	0	111.9	I119 L409 L465 K470 R471 V488 I497 V498	I119-F490 HydrophobicContact CD1-CE1 3.62Å; I119-F490 HydrophobicContact CD1-CZ 4.06Å; I119-F490 HydrophobicContact CG1-CD1 4.06Å; I119-F490 HydrophobicContact CG1-CE1 3.65Å; I119-F490 HydrophobicContact CG1-CZ 4.45Å; L409-F490 HydrophobicContact CB-CZ 4.29Å; L409-F490 HydrophobicContact CD1-CE2 4.25Å; L409-F490 HydrophobicContact CD1-CZ 4.15Å; L409-F490 HydrophobicContact CD2-CZ 4.13Å; L409-F490 HydrophobicContact CG-CZ 4.42Å; L465-F490 HydrophobicContact CD1-CD2 3.73Å; L465-F490 HydrophobicContact CD1-CE1 4.43Å; L465-F490 HydrophobicContact CD1-CE2 3.48Å; L465-F490 VanDerWaalsContact CD1-CE2 3.48Å; L465-F490 HydrophobicContact CD1-CG 4.3Å; L465-F490 HydrophobicContact CD1-CZ 3.9Å; L465-F490 HydrophobicContact CD2-CB 3.66Å; L465-F490 HydrophobicContact CD2-CD1 4.25Å; L465-F490 HydrophobicContact CD2-CD2 3.43Å; L465-F490 VanDerWaalsContact CD2-CD2 3.43Å; L465-F490 HydrophobicContact CD2-CE2 4.11Å; L465-F490 HydrophobicContact CD2-CG 3.53Å; L465-F490 HydrophobicContact CG-CD2 4.23Å; L465-F490 HydrophobicContact CG-CE2 4.45Å; K470-F490 VanDerWaalsContact C-CD1 3.45Å; K470-F490 CarbonylContact O-C 3.57Å; K470-F490 WeakPolarHBondContact O-CA 3.36Å; R471-F490 VanDerWaalsContact CA-CD1 3.44Å; R471-F490 HydrophobicContact CB-CD1 3.93Å; R471-F490 HydrophobicContact CB-CE1 3.55Å; R471-F490 HydrophobicContact CB-CZ 4.04Å; R471-F490 HydrophobicContact CG-CE1 4.14Å; R471-F490 HydrophobicContact CG-CZ 4.13Å; R471-F490 VanDerWaalsContact N-CD1 3.32Å; V488-F490 HydrophobicContact CB-CE2 4.08Å; V488-F490 HydrophobicContact CG1-CD2 4.36Å; V488-F490 HydrophobicContact CG1-CE2 3.71Å; V488-F490 HydrophobicContact CG2-CD2 4.08Å; V488-F490 HydrophobicContact CG2-CE2 3.27Å; V488-F490 HydrophobicContact CG2-CZ 3.78Å; F490-I497 WeakPolarHBondContact O-CA 3.23Å; F490-V498 HydrophobicContact CB-CB 4.37Å; F490-V498 PolarHBondContact N-O 3.49Å; F490-V498 PolarHBondContact O-N 3.36Å
491	K	97.5	Very high	90.2	Very high	52 Å²	52	46.4 Å²	46.4	23%	0.226	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.5	166.2	178.7	177.6	167.2	-167.5	0	109	E115 S469 K470 I472 I497	E115-K491 WeakPolarHBondContact OE1-CD 3.38Å; E115-K491 IonicContact OE1-NZ 3.31Å; E115-K491 PolarHBondContact OE1-NZ 2.82Å; S469-K491 CarbonylContact C-O 3.51Å; S469-K491 WeakPolarHBondContact CA-O 3.31Å; K470-K491 PolarHBondContact N-O 2.82Å; K470-K491 PolarHBondContact O-N 2.79Å; I472-K491 HydrophobicContact CG2-CB 4.08Å; K491-I497 HydrophobicContact CB-CD1 4.02Å; K491-I497 HydrophobicContact CG-CD1 4.01Å
492	R	96.8	Very high	92.4	Very high	30 Å²	30	34.6 Å²	34.6	11%	0.113	18%	0.184	C	C	.	.			trans	-88.6	157.2	176.4	-71.9	169.1	58.1	123.7	-2.6	110.8	F464 P466 D494 G495 L496 V498	F464-R492 WeakPolarHBondContact O-CD 2.95Å; F464-R492 PolarHBondContact O-NH1 2.79Å; P466-R492 VanDerWaalsContact CD-NH1 3.26Å; P466-R492 HydrophobicContact CG-CG 4.45Å; R492-D494 WeakPolarHBondContact CB-OD1 3.5Å; R492-D494 IonicContact CZ-OD2 2.77Å; R492-D494 VanDerWaalsContact CZ-OD2 3.26Å; R492-D494 IonicContact NE-OD1 3.51Å; R492-D494 PolarHBondContact NE-OD1 2.84Å; R492-D494 IonicContact NE-OD2 3.04Å; R492-D494 PolarHBondContact NE-OD2 3.18Å; R492-D494 IonicContact NH2-OD2 3.47Å; R492-D494 PolarHBondContact NH2-OD2 3.45Å; R492-D494 PolarHBondContact O-N 3.11Å; R492-G495 PolarHBondContact O-N 2.74Å; R492-G495 VanDerWaalsContact O-N 3.15Å; R492-L496 HydrophobicContact CB-CB 4.3Å; R492-L496 PolarHBondContact N-O 2.81Å; R492-V498 VanDerWaalsContact CD-CG2 3.41Å; R492-V498 HydrophobicContact CG-CG2 3.83Å
493	K	94.6	Very high	94	Very high	150 Å²	150	31.1 Å²	31.1	65%	0.652	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.6	177.9	-72.5	-178.7	174	165.3	0	113.6	E118 G468 G495	E118-K493 IonicContact OE1-NZ 2.84Å; E118-K493 PolarHBondContact OE1-NZ 2.89Å; G468-K493 WeakPolarHBondContact O-CE 3.03Å; K493-G495 VanDerWaalsContact C-N 3.26Å; K493-G495 PolarHBondContact O-N 2.8Å
494	D	93.3	Very high	95.1	Very high	89 Å²	89	29.8 Å²	29.8	48%	0.476	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5.1	175.7	58.1	12.7	0	0	0	113.5	R492 L496	R492-D494 WeakPolarHBondContact CB-OD1 3.5Å; R492-D494 IonicContact CZ-OD2 2.77Å; R492-D494 VanDerWaalsContact CZ-OD2 3.26Å; R492-D494 IonicContact NE-OD1 3.51Å; R492-D494 PolarHBondContact NE-OD1 2.84Å; R492-D494 IonicContact NE-OD2 3.04Å; R492-D494 PolarHBondContact NE-OD2 3.18Å; R492-D494 IonicContact NH2-OD2 3.47Å; R492-D494 PolarHBondContact NH2-OD2 3.45Å; R492-D494 PolarHBondContact O-N 3.11Å; D494-L496 WeakPolarHBondContact OD1-CB 3.44Å; D494-L496 WeakPolarHBondContact OD1-CG 3.19Å; D494-L496 PolarHBondContact OD1-N 3.05Å; D494-L496 VanDerWaalsContact OD1-N 3.17Å
495	G	92.6	Very high	95.8	Very high	29 Å²	29	26.5 Å²	26.5	30%	0.299	13%	0.133	S	C	.	.	S	Bend	trans	84.5	7.5	178.2	0	0	0	0	0	114.4	R492 K493 Q537	R492-G495 PolarHBondContact O-N 2.74Å; R492-G495 VanDerWaalsContact O-N 3.15Å; K493-G495 VanDerWaalsContact C-N 3.26Å; K493-G495 PolarHBondContact O-N 2.8Å; G495-Q537 WeakPolarHBondContact O-CB 3.31Å; G495-Q537 PolarHBondContact O-N 2.74Å
496	L	95.5	Very high	96.1	Very high	16 Å²	16	32.2 Å²	32.2	8%	0.084	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	145.9	173.9	-59.5	-175.2	0	0	0	112.2	L67 M70 R492 D494 W535 K536	L67-L496 HydrophobicContact CD2-CD1 3.61Å; M70-L496 HydrophobicContact CE-CD1 3.54Å; M70-L496 HydrophobicContact CE-CD2 3.26Å; M70-L496 HydrophobicContact CE-CG 3.97Å; R492-L496 HydrophobicContact CB-CB 4.3Å; R492-L496 PolarHBondContact N-O 2.81Å; D494-L496 WeakPolarHBondContact OD1-CB 3.44Å; D494-L496 WeakPolarHBondContact OD1-CG 3.19Å; D494-L496 PolarHBondContact OD1-N 3.05Å; D494-L496 VanDerWaalsContact OD1-N 3.17Å; L496-W535 CarbonylContact C-O 3.48Å; L496-W535 WeakPolarHBondContact CA-O 3.47Å; L496-K536 HydrophobicContact CD2-CB 4.49Å; L496-K536 HydrophobicContact CD2-CG 3.83Å
497	I	97.1	Very high	96.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.1	167.6	-53.6	-53.9	0	0	0	108.1	L110 M112 I472 F490 K491 L534 W535 Q537	L110-I497 HydrophobicContact CD1-CG2 3.69Å; M112-I497 HydrophobicContact CE-CD1 3.21Å; M112-I497 HydrophobicContact CE-CG1 3.75Å; M112-I497 HydrophobicContact SD-CD1 4.22Å; I472-I497 HydrophobicContact CD1-CG2 4.3Å; F490-I497 WeakPolarHBondContact O-CA 3.23Å; K491-I497 HydrophobicContact CB-CD1 4.02Å; K491-I497 HydrophobicContact CG-CD1 4.01Å; I497-L534 VanDerWaalsContact O-CA 3.23Å; I497-L534 WeakPolarHBondContact O-CA 3.36Å; I497-W535 HydrophobicContact CB-CD2 4.12Å; I497-W535 HydrophobicContact CB-CH2 4.4Å; I497-W535 HydrophobicContact CB-CZ2 3.94Å; I497-W535 HydrophobicContact CG2-CD2 4.48Å; I497-W535 HydrophobicContact CG2-CH2 3.73Å; I497-W535 HydrophobicContact CG2-CZ2 3.48Å; I497-W535 VanDerWaalsContact CG2-CZ2 3.48Å; I497-W535 HydrophobicContact CG2-CZ3 4.31Å; I497-W535 PolarHBondContact N-O 2.86Å; I497-W535 PolarHBondContact O-N 3.14Å; I497-W535 VanDerWaalsContact O-N 3.09Å; I497-Q537 HydrophobicContact CD1-CB 4.06Å; I497-Q537 HydrophobicContact CD1-CG 4.36Å; I497-Q537 HydrophobicContact CG1-CB 4.03Å
498	V	98.3	Very high	95.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.9	179.3	-173.5	0	0	0	0	108	F464 L465 A489 F490 R492 I500 T532 V533 L534	F464-V498 HydrophobicContact CB-CG1 4.25Å; L465-V498 HydrophobicContact CD2-CB 3.99Å; L465-V498 HydrophobicContact CD2-CG1 3.78Å; L465-V498 HydrophobicContact CD2-CG2 4.34Å; A489-V498 CarbonylContact C-O 3.51Å; A489-V498 VanDerWaalsContact CA-O 3.22Å; A489-V498 WeakPolarHBondContact CA-O 3.42Å; F490-V498 HydrophobicContact CB-CB 4.37Å; F490-V498 PolarHBondContact N-O 3.49Å; F490-V498 PolarHBondContact O-N 3.36Å; R492-V498 VanDerWaalsContact CD-CG2 3.41Å; R492-V498 HydrophobicContact CG-CG2 3.83Å; V498-I500 HydrophobicContact CG1-CG1 4.17Å; V498-T532 HydrophobicContact CG1-CG2 3.42Å; V498-T532 VanDerWaalsContact CG1-CG2 3.42Å; V498-V533 WeakPolarHBondContact CA-O 3.39Å; V498-L534 HydrophobicContact CG1-CG 4.33Å; V498-L534 HydrophobicContact CG2-CD2 3.83Å; V498-L534 HydrophobicContact CG2-CG 4.14Å
499	L	98.6	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.3	172.9	175.4	64.7	0	0	0	108.6	I108 I487 A489 V501 V513 F523 T532 V533 W535	I108-L499 HydrophobicContact CD1-CD1 4.43Å; I108-L499 HydrophobicContact CD1-CD2 4.21Å; I108-L499 HydrophobicContact CG2-CD1 4.22Å; I487-L499 HydrophobicContact CG2-CD1 3.6Å; A489-L499 HydrophobicContact CB-CD1 4.17Å; L499-V501 HydrophobicContact CD1-CG2 4.2Å; L499-V501 HydrophobicContact CD2-CG2 4.11Å; L499-V501 HydrophobicContact CG-CG2 3.84Å; L499-V513 HydrophobicContact CD2-CG2 3.63Å; L499-F523 HydrophobicContact CD2-CE1 4.34Å; L499-F523 HydrophobicContact CD2-CZ 3.98Å; L499-T532 CarbonylContact O-C 3.57Å; L499-T532 WeakPolarHBondContact O-CA 3.22Å; L499-V533 PolarHBondContact N-O 3.4Å; L499-V533 PolarHBondContact O-N 2.95Å; L499-W535 HydrophobicContact CB-CH2 3.81Å; L499-W535 HydrophobicContact CB-CZ3 3.71Å; L499-W535 HydrophobicContact CD2-CH2 4.35Å
500	I	98.8	Very high	95.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.3	175.6	-53.5	179.6	0	0	0	108.1	M406 H460 F461 L465 I487 V488 V498 I530 Q531 T532	M406-I500 HydrophobicContact CE-CG2 4.24Å; M406-I500 WeakPolarHBondContact CE-O 3.45Å; M406-I500 HydrophobicContact SD-CG2 4.44Å; H460-I500 WeakPolarHBondContact O-CD1 3.38Å; F461-I500 HydrophobicContact CD1-CD1 3.64Å; F461-I500 HydrophobicContact CE1-CD1 3.8Å; F461-I500 HydrophobicContact CE1-CG2 4.15Å; L465-I500 HydrophobicContact CD1-CD1 3.96Å; L465-I500 HydrophobicContact CD2-CD1 4.47Å; L465-I500 HydrophobicContact CG-CD1 4.27Å; I487-I500 WeakPolarHBondContact CA-O 3.19Å; V488-I500 HydrophobicContact CG1-CB 3.9Å; V488-I500 HydrophobicContact CG1-CD1 4.27Å; V488-I500 HydrophobicContact CG1-CG1 4.36Å; V488-I500 PolarHBondContact N-O 3.45Å; V488-I500 PolarHBondContact O-N 3.03Å; V498-I500 HydrophobicContact CG1-CG1 4.17Å; I500-I530 HydrophobicContact CG2-CD1 3.67Å; I500-I530 HydrophobicContact CG2-CG1 3.87Å; I500-Q531 VanDerWaalsContact CA-O 3.32Å; I500-Q531 WeakPolarHBondContact CA-O 3.47Å; I500-T532 HydrophobicContact CG1-CG2 4.03Å
501	V	98.3	Very high	95.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.1	179.9	-170.7	0	0	0	0	109.3	I108 P485 I487 L499 L509 V511 F523 V525 I530 Q531	I108-V501 HydrophobicContact CD1-CG2 4.03Å; P485-V501 HydrophobicContact CB-CG1 4.38Å; P485-V501 HydrophobicContact CG-CG1 4.5Å; I487-V501 HydrophobicContact CG1-CG1 4.3Å; L499-V501 HydrophobicContact CD1-CG2 4.2Å; L499-V501 HydrophobicContact CD2-CG2 4.11Å; L499-V501 HydrophobicContact CG-CG2 3.84Å; V501-L509 HydrophobicContact CG1-CD2 4.23Å; V501-V511 HydrophobicContact CG1-CG2 4.44Å; V501-F523 HydrophobicContact CG2-CE2 4.38Å; V501-F523 HydrophobicContact CG2-CZ 4.22Å; V501-V525 HydrophobicContact CB-CG2 3.99Å; V501-V525 HydrophobicContact CG1-CG2 3.9Å; V501-I530 WeakPolarHBondContact O-CA 3.49Å; V501-Q531 PolarHBondContact N-O 3.08Å; V501-Q531 PolarHBondContact O-N 2.69Å
502	H	97.8	Very high	95	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.5	174.8	177.1	-152.8	0	0	0	110.3	I402 M406 P485 Q486 E504 S529	I402-H502 HydrophobicContact CG2-CB 3.68Å; I402-H502 VanDerWaalsContact CG2-ND1 3.31Å; I402-H502 WeakPolarHBondContact CG2-ND1 3.44Å; M406-H502 HydrophobicContact CE-CB 4.46Å; M406-H502 HydrophobicContact SD-CB 3.6Å; P485-H502 VanDerWaalsContact CB-O 3.27Å; P485-H502 WeakPolarHBondContact CB-O 3.49Å; Q486-H502 HydrophobicContact CB-CB 4.22Å; Q486-H502 PolarHBondContact O-N 2.88Å; Q486-H502 PolarHBondContact OE1-ND1 2.84Å; H502-E504 WeakPolarHBondContact CE1-CG 3.42Å; H502-E504 IonicContact CE1-OE1 2.81Å; H502-E504 PolarHBondContact CE1-OE1 3.04Å; H502-E504 IonicContact ND1-OE1 2.66Å; H502-E504 PolarHBondContact ND1-OE1 3.47Å; H502-E504 WeakPolarHBondContact NE2-CG 3.5Å; H502-S529 PolarHBondContact CD2-O 3.47Å
503	N	95.7	Very high	94.9	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	105	173	-177.8	16.6	0	0	0	110.4	M505 E507 L509 V525 P526 S528 S529	N503-M505 VanDerWaalsContact C-N 3.34Å; N503-M505 VanDerWaalsContact OD1-CB 3.3Å; N503-M505 WeakPolarHBondContact OD1-CB 3.39Å; N503-M505 WeakPolarHBondContact OD1-CE 3.46Å; N503-M505 PolarHBondContact OD1-N 2.75Å; N503-E507 PolarHBondContact ND2-O 3.4Å; N503-L509 HydrophobicContact CB-CB 4.2Å; N503-L509 HydrophobicContact CB-CD2 4.46Å; N503-L509 PolarHBondContact ND2-N 2.82Å; N503-V525 HydrophobicContact CB-CB 3.99Å; N503-V525 HydrophobicContact CB-CG1 3.53Å; N503-V525 PolarHBondContact ND2-O 2.83Å; N503-P526 PolarHBondContact ND2-O 3.13Å; N503-S528 CarbonylContact O-C 3.5Å; N503-S528 VanDerWaalsContact O-CA 3.23Å; N503-S528 WeakPolarHBondContact O-CA 3.44Å; N503-S528 PolarHBondContact O-N 2.9Å; N503-S529 PolarHBondContact N-O 3.49Å; N503-S529 PolarHBondContact O-N 2.69Å
504	E	93.5	Very high	94.8	Very high	67 Å²	67	32.6 Å²	32.6	31%	0.313	18%	0.181	S	C	.	.			trans	-84.8	-9.3	175.9	-68.4	-170.1	-174.1	0	0	114.1	K399 R403 H502	K399-E504 HydrophobicContact CD-CG 4.34Å; R403-E504 VanDerWaalsContact CG-OE1 3.28Å; R403-E504 WeakPolarHBondContact CG-OE1 3.22Å; R403-E504 IonicContact CZ-OE1 2.75Å; R403-E504 IonicContact CZ-OE2 2.7Å; R403-E504 IonicContact NE-OE1 3.33Å; R403-E504 PolarHBondContact NE-OE1 2.97Å; R403-E504 IonicContact NE-OE2 3.26Å; R403-E504 PolarHBondContact NE-OE2 2.82Å; R403-E504 IonicContact NH2-OE1 2.92Å; R403-E504 IonicContact NH2-OE2 2.84Å; R403-E504 PolarHBondContact NH2-OE2 3.47Å; H502-E504 WeakPolarHBondContact CE1-CG 3.42Å; H502-E504 IonicContact CE1-OE1 2.81Å; H502-E504 PolarHBondContact CE1-OE1 3.04Å; H502-E504 IonicContact ND1-OE1 2.66Å; H502-E504 PolarHBondContact ND1-OE1 3.47Å; H502-E504 WeakPolarHBondContact NE2-CG 3.5Å
505	M	92.1	Very high	94.7	Very high	39 Å²	39	29.4 Å²	29.4	19%	0.192	16%	0.164	C	C	.	.	S	Bend	trans	-73.8	157.6	-176.7	-54.4	-176.7	-65.2	0	0	110.3	H482 N503 E507 L509 A527 S528	H482-M505 HydrophobicContact CB-SD 3.98Å; N503-M505 VanDerWaalsContact C-N 3.34Å; N503-M505 VanDerWaalsContact OD1-CB 3.3Å; N503-M505 WeakPolarHBondContact OD1-CB 3.39Å; N503-M505 WeakPolarHBondContact OD1-CE 3.46Å; N503-M505 PolarHBondContact OD1-N 2.75Å; M505-E507 HydrophobicContact CB-CG 4.25Å; M505-E507 PolarHBondContact O-N 3.08Å; M505-L509 HydrophobicContact CE-CB 3.87Å; M505-L509 HydrophobicContact CE-CD1 3.76Å; M505-L509 HydrophobicContact CE-CG 4.27Å; M505-A527 CarbonylContact O-C 3.56Å; M505-A527 VanDerWaalsContact O-CA 3.31Å; M505-A527 WeakPolarHBondContact O-CA 3.33Å; M505-S528 PolarHBondContact O-N 2.96Å
506	E	92.1	Very high	94.3	Very high	144 Å²	144	31.2 Å²	31.2	67%	0.673	17%	0.17	S	C	*	.	S	Bend	trans	-82.3	8.4	174.4	-63	-67.3	170.3	0	0	112.3	K82 A527	K82-E506 IonicContact NZ-OE1 2.65Å; K82-E506 IonicContact NZ-OE2 3.09Å; E506-A527 WeakPolarHBondContact O-CB 3.15Å
507	E	92.6	Very high	93.7	Very high	98 Å²	98	36.1 Å²	36.1	46%	0.458	19%	0.193	S	C	.	.	S	Bend	trans	-127.5	153.5	174.6	67.1	-170.7	162.5	0	0	111.3	H482 N503 M505	H482-E507 IonicContact CE1-OE1 2.82Å; H482-E507 PolarHBondContact CE1-OE1 2.83Å; H482-E507 IonicContact ND1-OE1 2.75Å; H482-E507 PolarHBondContact ND1-OE1 3.03Å; N503-E507 PolarHBondContact ND2-O 3.4Å; M505-E507 HydrophobicContact CB-CG 4.25Å; M505-E507 PolarHBondContact O-N 3.08Å
508	P	93.6	Very high	92.9	Very high	77 Å²	77	40.4 Å²	40.4	50%	0.5	22%	0.223	S	C	.	.			trans	-61.4	142.2	175.4	-20.7	32.7	0	0	0	112.3	P510 S524 V525	P508-P510 WeakPolarHBondContact O-CD 3.44Å; P508-S524 WeakPolarHBondContact CB-OG 3.41Å; P508-V525 CarbonylContact C-O 3.56Å; P508-V525 WeakPolarHBondContact CA-O 3.23Å
509	L	92.4	Very high	92.4	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	108.6	178.2	172.7	67.8	0	0	0	110	I106 P485 V501 N503 M505 V511 S524 V525	I106-L509 HydrophobicContact CG2-CD1 4.17Å; I106-L509 HydrophobicContact CG2-CD2 4.37Å; I106-L509 HydrophobicContact CG2-CG 4.31Å; P485-L509 HydrophobicContact CB-CD2 3.82Å; P485-L509 HydrophobicContact CG-CD2 3.78Å; V501-L509 HydrophobicContact CG1-CD2 4.23Å; N503-L509 HydrophobicContact CB-CB 4.2Å; N503-L509 HydrophobicContact CB-CD2 4.46Å; N503-L509 PolarHBondContact ND2-N 2.82Å; M505-L509 HydrophobicContact CE-CB 3.87Å; M505-L509 HydrophobicContact CE-CD1 3.76Å; M505-L509 HydrophobicContact CE-CG 4.27Å; L509-V511 HydrophobicContact CD2-CG2 4.27Å; L509-V511 HydrophobicContact CG-CG2 4.15Å; L509-V511 PolarHBondContact O-N 2.86Å; L509-S524 WeakPolarHBondContact O-CA 3.4Å; L509-V525 HydrophobicContact CB-CB 4.35Å; L509-V525 PolarHBondContact N-O 2.97Å; L509-V525 PolarHBondContact O-N 2.88Å
510	P	93.8	Very high	92.1	Very high	59 Å²	59	42 Å²	42	38%	0.383	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.1	172.9	-16.5	31.5	0	0	0	111	S105 I106 P508	S105-P510 WeakPolarHBondContact CA-O 3.42Å; I106-P510 PolarHBondContact N-O 2.84Å; P508-P510 WeakPolarHBondContact O-CD 3.44Å
511	V	93.8	Very high	91.8	Very high	2 Å²	2	42 Å²	42	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.3	-179.8	-177.2	0	0	0	0	110	I106 I108 V501 L509 V513 F523 V525	I106-V511 HydrophobicContact CG2-CB 4.11Å; I106-V511 HydrophobicContact CG2-CG1 4.1Å; I106-V511 HydrophobicContact CG2-CG2 3.67Å; I108-V511 HydrophobicContact CD1-CG1 3.56Å; I108-V511 HydrophobicContact CG1-CG1 4.08Å; V501-V511 HydrophobicContact CG1-CG2 4.44Å; L509-V511 HydrophobicContact CD2-CG2 4.27Å; L509-V511 HydrophobicContact CG-CG2 4.15Å; L509-V511 PolarHBondContact O-N 2.86Å; V511-V513 HydrophobicContact CG1-CG2 4.16Å; V511-F523 HydrophobicContact CB-CD1 4.12Å; V511-F523 HydrophobicContact CB-CD2 4.06Å; V511-F523 HydrophobicContact CB-CE1 3.79Å; V511-F523 HydrophobicContact CB-CE2 3.72Å; V511-F523 HydrophobicContact CB-CG 4.26Å; V511-F523 HydrophobicContact CB-CZ 3.58Å; V511-F523 HydrophobicContact CG1-CD1 4.29Å; V511-F523 HydrophobicContact CG1-CE1 3.53Å; V511-F523 HydrophobicContact CG1-CE2 4.02Å; V511-F523 HydrophobicContact CG1-CZ 3.36Å; V511-F523 HydrophobicContact CG2-CD2 4.35Å; V511-F523 HydrophobicContact CG2-CE2 3.85Å; V511-F523 HydrophobicContact CG2-CZ 4.07Å; V511-F523 PolarHBondContact N-O 2.88Å; V511-F523 PolarHBondContact O-N 3.17Å; V511-V525 HydrophobicContact CG2-CG2 3.79Å
512	T	93.5	Very high	91.6	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.6	173.2	-60.6	0	0	0	0	109.3	I106 V107 I108 M520 L521 Y522	I106-T512 PolarHBondContact O-N 3.42Å; V107-T512 WeakPolarHBondContact CA-O 3.4Å; I108-T512 PolarHBondContact N-O 2.89Å; T512-M520 HydrophobicContact CG2-CE 3.13Å; T512-L521 WeakPolarHBondContact CA-O 3.46Å; T512-Y522 HydrophobicContact CG2-CD1 3.88Å; T512-Y522 HydrophobicContact CG2-CE1 3.51Å; T512-Y522 WeakPolarHBondContact OG1-CD1 3.37Å; T512-Y522 WeakPolarHBondContact OG1-CE1 3.16Å
513	V	94.2	Very high	91.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	111.8	175.5	-175.2	0	0	0	0	108.4	I108 L499 V511 L515 L521 F523 W535	I108-V513 HydrophobicContact CB-CG2 4.36Å; L499-V513 HydrophobicContact CD2-CG2 3.63Å; V511-V513 HydrophobicContact CG1-CG2 4.16Å; V513-L515 HydrophobicContact CG1-CD2 4.03Å; V513-L521 HydrophobicContact CB-CB 4.25Å; V513-L521 PolarHBondContact N-O 3.3Å; V513-L521 PolarHBondContact O-N 2.78Å; V513-F523 HydrophobicContact CG2-CE1 3.86Å; V513-W535 HydrophobicContact CG1-CH2 4.35Å; V513-W535 HydrophobicContact CG1-CZ2 4.3Å
514	P	92.6	Very high	91.4	Very high	53 Å²	53	48.7 Å²	48.7	34%	0.344	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	131.8	169.1	-17.6	31.5	0	0	0	110.5	V107 I108 M520	V107-P514 HydrophobicContact CG1-CG 3.91Å; I108-P514 WeakPolarHBondContact O-CD 3.36Å; P514-M520 HydrophobicContact CB-CE 4.24Å; P514-M520 HydrophobicContact CB-SD 4.13Å; P514-M520 HydrophobicContact CG-CE 4.08Å
515	L	91.4	Very high	91.6	Very high	21 Å²	21	45.5 Å²	45.5	11%	0.11	25%	0.25	C	S	.	.			trans	-116.1	167	179.3	-61.4	-179.8	0	0	0	110.6	F94 V513 N519 L521 W535	F94-L515 HydrophobicContact CD1-CD1 3.53Å; F94-L515 HydrophobicContact CD2-CD1 4.01Å; F94-L515 HydrophobicContact CE1-CD1 3.51Å; F94-L515 HydrophobicContact CE2-CD1 4Å; F94-L515 HydrophobicContact CG-CD1 3.8Å; F94-L515 HydrophobicContact CZ-CD1 3.76Å; V513-L515 HydrophobicContact CG1-CD2 4.03Å; L515-N519 WeakPolarHBondContact CA-O 3.34Å; L515-N519 HydrophobicContact CB-CB 3.96Å; L515-N519 WeakPolarHBondContact CB-O 3.42Å; L515-N519 HydrophobicContact CD1-CB 4.46Å; L515-N519 PolarHBondContact N-O 2.8Å; L515-L521 HydrophobicContact CD1-CB 3.89Å; L515-L521 HydrophobicContact CG-CB 4.33Å; L515-W535 HydrophobicContact CD2-CZ2 3.96Å
516	P	85	Confident	91.8	Very high	67 Å²	67	45.6 Å²	45.6	44%	0.435	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-53.5	162.9	169.8	-26.3	36	0	0	0	113.3	S518 N519	P516-S518 PolarHBondContact O-N 3.05Å; P516-N519 WeakPolarHBondContact O-CB 3Å; P516-N519 PolarHBondContact O-N 3.44Å; P516-N519 VanDerWaalsContact O-N 3.14Å
517	H	81.7	Confident	92	Very high	120 Å²	120	40 Å²	40	56%	0.556	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	58.7	27.9	176.7	-52.5	-64.7	0	0	0	115.5	N519	H517-N519 PolarHBondContact O-N 2.96Å
518	S	81.5	Confident	92.2	Very high	91 Å²	91	35.8 Å²	35.8	64%	0.636	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	60.1	24.2	-176.9	-53.2	0	0	0	0	113.5	A97 P516	A97-S518 VanDerWaalsContact CB-O 3.31Å; A97-S518 WeakPolarHBondContact CB-O 3.23Å; A97-S518 PolarHBondContact N-O 2.84Å; P516-S518 PolarHBondContact O-N 3.05Å
519	N	88.4	Confident	92.4	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.037	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	154.4	168.9	-73.3	-29.6	0	0	0	110.4	F94 T95 L515 P516 H517	F94-N519 HydrophobicContact CB-CB 4.36Å; T95-N519 CarbonylContact O-C 3.53Å; T95-N519 WeakPolarHBondContact O-CA 3.34Å; L515-N519 WeakPolarHBondContact CA-O 3.34Å; L515-N519 HydrophobicContact CB-CB 3.96Å; L515-N519 WeakPolarHBondContact CB-O 3.42Å; L515-N519 HydrophobicContact CD1-CB 4.46Å; L515-N519 PolarHBondContact N-O 2.8Å; P516-N519 WeakPolarHBondContact O-CB 3Å; P516-N519 PolarHBondContact O-N 3.44Å; P516-N519 VanDerWaalsContact O-N 3.14Å; H517-N519 PolarHBondContact O-N 2.96Å
520	M	91	Very high	92.7	Very high	26 Å²	26	32 Å²	32	13%	0.128	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.9	178.7	-58.8	-62.1	-60	0	0	108.4	T95 A97 T512 P514 Y522	T95-M520 PolarHBondContact N-O 3.34Å; T95-M520 PolarHBondContact O-N 2.76Å; T95-M520 PolarHBondContact OG1-O 3.4Å; T95-M520 VanDerWaalsContact OG1-O 3.13Å; A97-M520 HydrophobicContact CB-CG 3.82Å; A97-M520 HydrophobicContact CB-SD 4.31Å; T512-M520 HydrophobicContact CG2-CE 3.13Å; P514-M520 HydrophobicContact CB-CE 4.24Å; P514-M520 HydrophobicContact CB-SD 4.13Å; P514-M520 HydrophobicContact CG-CE 4.08Å; M520-Y522 HydrophobicContact CB-CD2 4.07Å; M520-Y522 HydrophobicContact CB-CE1 4.5Å; M520-Y522 HydrophobicContact CB-CE2 3.37Å; M520-Y522 HydrophobicContact CG-CE2 4.19Å
521	L	93.5	Very high	92.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.3	168.3	174.4	64.8	0	0	0	108.7	A75 L92 F94 T512 V513 L515 F523 V533 W535	A75-L521 HydrophobicContact CB-CD1 3.91Å; A75-L521 HydrophobicContact CB-CD2 4.04Å; L92-L521 HydrophobicContact CB-CD1 4.07Å; L92-L521 HydrophobicContact CD1-CD1 4.05Å; F94-L521 HydrophobicContact CD1-CB 4.37Å; F94-L521 HydrophobicContact CD1-CD1 4.21Å; F94-L521 HydrophobicContact CE1-CD1 4.34Å; T512-L521 WeakPolarHBondContact CA-O 3.46Å; V513-L521 HydrophobicContact CB-CB 4.25Å; V513-L521 PolarHBondContact N-O 3.3Å; V513-L521 PolarHBondContact O-N 2.78Å; L515-L521 HydrophobicContact CD1-CB 3.89Å; L515-L521 HydrophobicContact CG-CB 4.33Å; L521-F523 HydrophobicContact CD2-CD1 4.46Å; L521-F523 HydrophobicContact CD2-CE1 4.41Å; L521-F523 HydrophobicContact CG-CD1 4.1Å; L521-F523 HydrophobicContact CG-CE1 4.44Å; L521-V533 HydrophobicContact CD2-CG1 3.84Å; L521-W535 HydrophobicContact CD2-CE3 4.19Å; L521-W535 HydrophobicContact CD2-CZ3 4.3Å
522	Y	93.3	Very high	93.1	Very high	67 Å²	67	29.7 Å²	29.7	26%	0.263	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.6	177.4	-61	-79.5	0	0	0	109.3	T95 R99 T512 M520	T95-Y522 WeakPolarHBondContact OG1-CD2 3.37Å; T95-Y522 WeakPolarHBondContact OG1-CE2 3.28Å; R99-Y522 PolarHBondContact O-OH 2.93Å; T512-Y522 HydrophobicContact CG2-CD1 3.88Å; T512-Y522 HydrophobicContact CG2-CE1 3.51Å; T512-Y522 WeakPolarHBondContact OG1-CD1 3.37Å; T512-Y522 WeakPolarHBondContact OG1-CE1 3.16Å; M520-Y522 HydrophobicContact CB-CD2 4.07Å; M520-Y522 HydrophobicContact CB-CE1 4.5Å; M520-Y522 HydrophobicContact CB-CE2 3.37Å; M520-Y522 HydrophobicContact CG-CE2 4.19Å
523	F	95.1	Very high	93.4	Very high	21 Å²	21	29.4 Å²	29.4	9%	0.092	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	169.9	174	62.1	-81.7	0	0	0	110.9	L92 L499 V501 V511 V513 L521 V525 V533	L92-F523 HydrophobicContact CD1-CB 3.5Å; L92-F523 HydrophobicContact CD1-CG 4.34Å; L499-F523 HydrophobicContact CD2-CE1 4.34Å; L499-F523 HydrophobicContact CD2-CZ 3.98Å; V501-F523 HydrophobicContact CG2-CE2 4.38Å; V501-F523 HydrophobicContact CG2-CZ 4.22Å; V511-F523 HydrophobicContact CB-CD1 4.12Å; V511-F523 HydrophobicContact CB-CD2 4.06Å; V511-F523 HydrophobicContact CB-CE1 3.79Å; V511-F523 HydrophobicContact CB-CE2 3.72Å; V511-F523 HydrophobicContact CB-CG 4.26Å; V511-F523 HydrophobicContact CB-CZ 3.58Å; V511-F523 HydrophobicContact CG1-CD1 4.29Å; V511-F523 HydrophobicContact CG1-CE1 3.53Å; V511-F523 HydrophobicContact CG1-CE2 4.02Å; V511-F523 HydrophobicContact CG1-CZ 3.36Å; V511-F523 HydrophobicContact CG2-CD2 4.35Å; V511-F523 HydrophobicContact CG2-CE2 3.85Å; V511-F523 HydrophobicContact CG2-CZ 4.07Å; V511-F523 PolarHBondContact N-O 2.88Å; V511-F523 PolarHBondContact O-N 3.17Å; V513-F523 HydrophobicContact CG2-CE1 3.86Å; L521-F523 HydrophobicContact CD2-CD1 4.46Å; L521-F523 HydrophobicContact CD2-CE1 4.41Å; L521-F523 HydrophobicContact CG-CD1 4.1Å; L521-F523 HydrophobicContact CG-CE1 4.44Å; F523-V525 HydrophobicContact CD2-CG2 3.96Å; F523-V525 HydrophobicContact CE2-CG2 3.63Å; F523-V533 HydrophobicContact CD2-CG2 4.24Å; F523-V533 HydrophobicContact CE1-CG2 4.27Å; F523-V533 HydrophobicContact CE2-CG2 3.79Å; F523-V533 HydrophobicContact CZ-CG2 3.8Å
524	S	94.9	Very high	93.5	Very high	56 Å²	56	29.4 Å²	29.4	39%	0.392	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.5	174.4	-172.2	0	0	0	0	108.4	P508 L509 P526 Q531	P508-S524 WeakPolarHBondContact CB-OG 3.41Å; L509-S524 WeakPolarHBondContact O-CA 3.4Å; S524-P526 WeakPolarHBondContact O-CD 3.38Å; S524-Q531 PolarHBondContact O-OE1 3.1Å
525	V	96.6	Very high	93.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.5	174.3	-172.2	0	0	0	0	107.2	V501 N503 P508 L509 V511 F523 S529 Q531	V501-V525 HydrophobicContact CB-CG2 3.99Å; V501-V525 HydrophobicContact CG1-CG2 3.9Å; N503-V525 HydrophobicContact CB-CB 3.99Å; N503-V525 HydrophobicContact CB-CG1 3.53Å; N503-V525 PolarHBondContact ND2-O 2.83Å; P508-V525 CarbonylContact C-O 3.56Å; P508-V525 WeakPolarHBondContact CA-O 3.23Å; L509-V525 HydrophobicContact CB-CB 4.35Å; L509-V525 PolarHBondContact N-O 2.97Å; L509-V525 PolarHBondContact O-N 2.88Å; V511-V525 HydrophobicContact CG2-CG2 3.79Å; F523-V525 HydrophobicContact CD2-CG2 3.96Å; F523-V525 HydrophobicContact CE2-CG2 3.63Å; V525-S529 WeakPolarHBondContact CG1-OG 3.28Å; V525-Q531 HydrophobicContact CG1-CB 4.32Å; V525-Q531 HydrophobicContact CG1-CG 4.13Å; V525-Q531 HydrophobicContact CG2-CB 4.48Å
526	P	97	Very high	93.8	Very high	40 Å²	40	29.7 Å²	29.7	26%	0.26	17%	0.166	S	C	.	.			trans	-54.9	159.8	-178.1	-26.6	34.6	0	0	0	113.4	T79 N503 S524 S529 Q531	T79-P526 HydrophobicContact CG2-CG 4.19Å; N503-P526 PolarHBondContact ND2-O 3.13Å; S524-P526 WeakPolarHBondContact O-CD 3.38Å; P526-S529 VanDerWaalsContact C-OG 3.32Å; P526-S529 WeakPolarHBondContact CD-OG 3.44Å; P526-S529 WeakPolarHBondContact O-CB 3.18Å; P526-S529 PolarHBondContact O-OG 3.29Å; P526-Q531 VanDerWaalsContact CD-NE2 3.31Å
527	A	95.6	Very high	93.7	Very high	28 Å²	28	29 Å²	29	23%	0.231	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	140.7	172.3	0	0	0	0	0	111.3	M505 E506 S529	M505-A527 CarbonylContact O-C 3.56Å; M505-A527 VanDerWaalsContact O-CA 3.31Å; M505-A527 WeakPolarHBondContact O-CA 3.33Å; E506-A527 WeakPolarHBondContact O-CB 3.15Å; A527-S529 PolarHBondContact O-N 3.12Å
528	S	96.6	Very high	93.2	Very high	9 Å²	9	27.4 Å²	27.4	6%	0.063	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	58.4	178.3	-73.9	0	0	0	0	112.2	K82 W395 N503 M505	K82-S528 PolarHBondContact N-O 2.91Å; W395-S528 VanDerWaalsContact CE2-O 3.26Å; W395-S528 WeakPolarHBondContact CZ2-O 3.21Å; N503-S528 CarbonylContact O-C 3.5Å; N503-S528 VanDerWaalsContact O-CA 3.23Å; N503-S528 WeakPolarHBondContact O-CA 3.44Å; N503-S528 PolarHBondContact O-N 2.9Å; M505-S528 PolarHBondContact O-N 2.96Å
529	S	97.9	Very high	91.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	163.9	-175.4	78.8	0	0	0	0	113.1	T80 H502 N503 V525 P526 A527	T80-S529 CarbonylContact O-C 3.52Å; T80-S529 WeakPolarHBondContact O-CA 3.46Å; T80-S529 VanDerWaalsContact O-CB 3.32Å; T80-S529 WeakPolarHBondContact O-CB 3.31Å; H502-S529 PolarHBondContact CD2-O 3.47Å; N503-S529 PolarHBondContact N-O 3.49Å; N503-S529 PolarHBondContact O-N 2.69Å; V525-S529 WeakPolarHBondContact CG1-OG 3.28Å; P526-S529 VanDerWaalsContact C-OG 3.32Å; P526-S529 WeakPolarHBondContact CD-OG 3.44Å; P526-S529 WeakPolarHBondContact O-CB 3.18Å; P526-S529 PolarHBondContact O-OG 3.29Å; A527-S529 PolarHBondContact O-N 3.12Å
530	I	98.7	Very high	89.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.6	171	177.7	172.9	0	0	0	108.6	T80 I402 V457 H460 F461 I500 V501	T80-I530 PolarHBondContact N-O 2.95Å; T80-I530 PolarHBondContact O-N 2.94Å; I402-I530 HydrophobicContact CD1-CB 3.91Å; I402-I530 HydrophobicContact CD1-CG2 3.76Å; I402-I530 HydrophobicContact CG1-CB 4.43Å; I402-I530 HydrophobicContact CG1-CD1 4.1Å; I402-I530 HydrophobicContact CG1-CG2 4.3Å; I402-I530 HydrophobicContact CG2-CD1 3.89Å; V457-I530 HydrophobicContact CG2-CG2 4.49Å; H460-I530 HydrophobicContact CB-CD1 3.88Å; H460-I530 PolarHBondContact CE1-O 2.96Å; F461-I530 HydrophobicContact CE2-CD1 4.26Å; F461-I530 HydrophobicContact CZ-CD1 3.86Å; I500-I530 HydrophobicContact CG2-CD1 3.67Å; I500-I530 HydrophobicContact CG2-CG1 3.87Å; V501-I530 WeakPolarHBondContact O-CA 3.49Å
531	Q	98.6	Very high	86.6	Confident	12 Å²	12	31.6 Å²	31.6	6%	0.056	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.8	172.7	-78.6	-173.7	-21.3	0	0	111.2	V77 Y78 T79 I500 V501 S524 V525 P526	V77-Q531 HydrophobicContact CG1-CB 4.19Å; V77-Q531 HydrophobicContact CG1-CG 4.01Å; Y78-Q531 VanDerWaalsContact O-CA 3.31Å; Y78-Q531 WeakPolarHBondContact O-CA 3.12Å; T79-Q531 HydrophobicContact CG2-CG 3.92Å; T79-Q531 WeakPolarHBondContact OG1-CG 3.48Å; T79-Q531 PolarHBondContact OG1-NE2 2.96Å; I500-Q531 VanDerWaalsContact CA-O 3.32Å; I500-Q531 WeakPolarHBondContact CA-O 3.47Å; V501-Q531 PolarHBondContact N-O 3.08Å; V501-Q531 PolarHBondContact O-N 2.69Å; S524-Q531 PolarHBondContact O-OE1 3.1Å; V525-Q531 HydrophobicContact CG1-CB 4.32Å; V525-Q531 HydrophobicContact CG1-CG 4.13Å; V525-Q531 HydrophobicContact CG2-CB 4.48Å; P526-Q531 VanDerWaalsContact CD-NE2 3.31Å
532	T	98.7	Very high	83.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122	163.6	-60.5	0	0	0	0	108.1	V77 Y78 H460 F464 V498 L499 I500 L534	V77-T532 CarbonylContact C-O 3.52Å; V77-T532 WeakPolarHBondContact CA-O 3.5Å; Y78-T532 PolarHBondContact N-O 3.35Å; Y78-T532 PolarHBondContact O-N 3.11Å; H460-T532 WeakPolarHBondContact CB-OG1 3.35Å; H460-T532 PolarHBondContact ND1-N 2.95Å; H460-T532 PolarHBondContact ND1-OG1 3.23Å; H460-T532 PolarHBondContact O-OG1 2.92Å; F464-T532 HydrophobicContact CB-CG2 3.81Å; F464-T532 HydrophobicContact CD2-CG2 3.76Å; F464-T532 HydrophobicContact CG-CG2 3.85Å; V498-T532 HydrophobicContact CG1-CG2 3.42Å; V498-T532 VanDerWaalsContact CG1-CG2 3.42Å; L499-T532 CarbonylContact O-C 3.57Å; L499-T532 WeakPolarHBondContact O-CA 3.22Å; I500-T532 HydrophobicContact CG1-CG2 4.03Å; T532-L534 HydrophobicContact CG2-CD1 3.67Å; T532-L534 HydrophobicContact CG2-CG 4.2Å
533	V	98.4	Very high	83.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	126	178.7	-171	0	0	0	0	108.7	A75 V76 V77 V498 L499 L521 F523 W535	A75-V533 HydrophobicContact CB-CG1 3.9Å; V76-V533 CarbonylContact O-C 3.58Å; V76-V533 WeakPolarHBondContact O-CA 3.35Å; V77-V533 HydrophobicContact CG1-CG2 4.2Å; V77-V533 HydrophobicContact CG2-CB 4.45Å; V77-V533 HydrophobicContact CG2-CG1 3.99Å; V77-V533 HydrophobicContact CG2-CG2 4.04Å; V498-V533 WeakPolarHBondContact CA-O 3.39Å; L499-V533 PolarHBondContact N-O 3.4Å; L499-V533 PolarHBondContact O-N 2.95Å; L521-V533 HydrophobicContact CD2-CG1 3.84Å; F523-V533 HydrophobicContact CD2-CG2 4.24Å; F523-V533 HydrophobicContact CE1-CG2 4.27Å; F523-V533 HydrophobicContact CE2-CG2 3.79Å; F523-V533 HydrophobicContact CZ-CG2 3.8Å; V533-W535 HydrophobicContact CB-CZ3 4.31Å; V533-W535 HydrophobicContact CG1-CE3 4.08Å; V533-W535 HydrophobicContact CG1-CZ3 4.12Å
534	L	97.8	Very high	82.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.1	-178.3	-57.1	93.9	0	0	0	111.1	L67 M70 A75 V76 Y78 F464 I497 V498 T532	L67-L534 HydrophobicContact CD1-CD2 4.19Å; L67-L534 HydrophobicContact CD2-CD2 3.73Å; M70-L534 HydrophobicContact CE-CB 4.03Å; M70-L534 HydrophobicContact SD-CB 4.24Å; M70-L534 VanDerWaalsContact SD-O 3.4Å; A75-L534 CarbonylContact C-O 3.45Å; A75-L534 WeakPolarHBondContact CA-O 3.35Å; A75-L534 WeakPolarHBondContact CB-O 3.44Å; V76-L534 PolarHBondContact N-O 3.2Å; V76-L534 PolarHBondContact O-N 3.44Å; Y78-L534 HydrophobicContact CD2-CD1 3.85Å; Y78-L534 HydrophobicContact CE2-CD1 4.08Å; F464-L534 HydrophobicContact CB-CD2 4.28Å; F464-L534 HydrophobicContact CD1-CD1 3.93Å; F464-L534 HydrophobicContact CD1-CD2 3.88Å; F464-L534 HydrophobicContact CE1-CD1 4.3Å; F464-L534 HydrophobicContact CG-CD1 4.27Å; F464-L534 HydrophobicContact CG-CD2 4.38Å; I497-L534 VanDerWaalsContact O-CA 3.23Å; I497-L534 WeakPolarHBondContact O-CA 3.36Å; V498-L534 HydrophobicContact CG1-CG 4.33Å; V498-L534 HydrophobicContact CG2-CD2 3.83Å; V498-L534 HydrophobicContact CG2-CG 4.14Å; T532-L534 HydrophobicContact CG2-CD1 3.67Å; T532-L534 HydrophobicContact CG2-CG 4.2Å
535	W	95.9	Very high	81.9	Confident	8 Å²	8	38.2 Å²	38.2	3%	0.03	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	165.2	172.6	66.6	101	0	0	0	111.9	A75 F94 L110 L496 I497 L499 V513 L515 L521 V533	A75-W535 HydrophobicContact CB-CB 4.06Å; F94-W535 HydrophobicContact CE1-CB 4.26Å; F94-W535 HydrophobicContact CE1-CG 4.48Å; F94-W535 HydrophobicContact CZ-CB 3.83Å; F94-W535 AromaticContact CZ-CD1 3.98Å; F94-W535 HydrophobicContact CZ-CG 4.09Å; L110-W535 HydrophobicContact CD1-CH2 3.78Å; L110-W535 HydrophobicContact CD1-CZ2 3.56Å; L496-W535 CarbonylContact C-O 3.48Å; L496-W535 WeakPolarHBondContact CA-O 3.47Å; I497-W535 HydrophobicContact CB-CD2 4.12Å; I497-W535 HydrophobicContact CB-CH2 4.4Å; I497-W535 HydrophobicContact CB-CZ2 3.94Å; I497-W535 HydrophobicContact CG2-CD2 4.48Å; I497-W535 HydrophobicContact CG2-CH2 3.73Å; I497-W535 HydrophobicContact CG2-CZ2 3.48Å; I497-W535 VanDerWaalsContact CG2-CZ2 3.48Å; I497-W535 HydrophobicContact CG2-CZ3 4.31Å; I497-W535 PolarHBondContact N-O 2.86Å; I497-W535 PolarHBondContact O-N 3.14Å; I497-W535 VanDerWaalsContact O-N 3.09Å; L499-W535 HydrophobicContact CB-CH2 3.81Å; L499-W535 HydrophobicContact CB-CZ3 3.71Å; L499-W535 HydrophobicContact CD2-CH2 4.35Å; V513-W535 HydrophobicContact CG1-CH2 4.35Å; V513-W535 HydrophobicContact CG1-CZ2 4.3Å; L515-W535 HydrophobicContact CD2-CZ2 3.96Å; L521-W535 HydrophobicContact CD2-CE3 4.19Å; L521-W535 HydrophobicContact CD2-CZ3 4.3Å; V533-W535 HydrophobicContact CB-CZ3 4.31Å; V533-W535 HydrophobicContact CG1-CE3 4.08Å; V533-W535 HydrophobicContact CG1-CZ3 4.12Å
536	K	93.1	Very high	81.1	Confident	72 Å²	72	40.5 Å²	40.5	31%	0.313	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137.7	175.4	-71.1	178.7	179.4	165.3	0	111.6	M70 D72 L496 D538	M70-K536 WeakPolarHBondContact O-CE 3.43Å; M70-K536 PolarHBondContact O-NZ 2.75Å; D72-K536 VanDerWaalsContact OD1-CD 3.23Å; D72-K536 WeakPolarHBondContact OD1-CD 3.48Å; D72-K536 IonicContact OD1-NZ 3.63Å; D72-K536 PolarHBondContact OD1-NZ 2.92Å; L496-K536 HydrophobicContact CD2-CB 4.49Å; L496-K536 HydrophobicContact CD2-CG 3.83Å; K536-D538 VanDerWaalsContact C-N 3.33Å; K536-D538 PolarHBondContact O-N 3.22Å
537	Q	83.2	Confident	80.1	Confident	53 Å²	53	40.5 Å²	40.5	25%	0.248	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-43.4	179	175.2	170.1	0.6	0	0	113.8	M112 G495 I497 G539	M112-Q537 HydrophobicContact CE-CB 4.42Å; M112-Q537 HydrophobicContact CE-CG 3.6Å; G495-Q537 WeakPolarHBondContact O-CB 3.31Å; G495-Q537 PolarHBondContact O-N 2.74Å; I497-Q537 HydrophobicContact CD1-CB 4.06Å; I497-Q537 HydrophobicContact CD1-CG 4.36Å; I497-Q537 HydrophobicContact CG1-CB 4.03Å; Q537-G539 PolarHBondContact O-N 3.38Å
538	D	70.4	Confident	79.1	Confident	85 Å²	85	41.3 Å²	41.3	46%	0.455	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-19.1	-167.9	-92.9	14.9	0	0	0	114.3	K536 K540	K536-D538 VanDerWaalsContact C-N 3.33Å; K536-D538 PolarHBondContact O-N 3.22Å; D538-K540 HydrophobicContact CB-CD 4.2Å; D538-K540 HydrophobicContact CB-CG 4.13Å; D538-K540 PolarHBondContact O-N 2.86Å; D538-K540 WeakPolarHBondContact OD2-CE 3.06Å; D538-K540 IonicContact OD2-NZ 2.76Å; D538-K540 PolarHBondContact OD2-NZ 2.83Å
539	G	52.4	Low	77.8	Confident	5 Å²	5	43.6 Å²	43.6	5%	0.052	24%	0.236	C	C	.	.			trans	46.1	22.4	179.2	0	0	0	0	0	115.3	Q537 I541	Q537-G539 PolarHBondContact O-N 3.38Å; G539-I541 PolarHBondContact O-N 3.46Å
540	K	38.3	Very low	76.3	Confident	113 Å²	113	47 Å²	47	49%	0.491	25%	0.254	S	S	.	.			trans	-75	124.4	-169	-85	175.1	-176.9	149.2	0	109.1	D72 D538 S542	D72-K540 WeakPolarHBondContact CB-O 3.39Å; D538-K540 HydrophobicContact CB-CD 4.2Å; D538-K540 HydrophobicContact CB-CG 4.13Å; D538-K540 PolarHBondContact O-N 2.86Å; D538-K540 WeakPolarHBondContact OD2-CE 3.06Å; D538-K540 IonicContact OD2-NZ 2.76Å; D538-K540 PolarHBondContact OD2-NZ 2.83Å; K540-S542 PolarHBondContact O-N 3.2Å
541	I	33.4	Very low	74.4	Confident	95 Å²	95	50.9 Å²	50.9	49%	0.487	28%	0.276	S	S	.	.			trans	-73.6	116.9	160.9	-58.8	167.3	0	0	0	105.5	G539	G539-I541 PolarHBondContact O-N 3.46Å
542	S	32.3	Very low	72.2	Confident	168 Å²	168	54.5 Å²	54.5	100%	1.175	30%	0.295	S	S	*	.			trans	-59.3	0	167	64.5	0	0	0	0	111.2	K540	K540-S542 PolarHBondContact O-N 3.2Å

Retrieved 542 of 542 residues in 517.7 ms (Link to these results)

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