A0A087YNV9_POEFO Loading...

Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma

AlphaFold DB , UniProt , Accession A0A087YNV9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 418 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	33.6	Very low	31.9	Very low	245 Å²	245	131.5 Å²	131.5	100%	1.207	85%	0.851	S	S	*	*				0	136.1	0	-88.3	-169.6	179.6	0	0	108.3
2	A	33	Very low	32.4	Very low	99 Å²	99	130.3 Å²	130.3	82%	0.818	85%	0.848	S	S	*	*			trans	61	104.7	172.4	0	0	0	0	0	115.9
3	A	28.8	Very low	32.6	Very low	90 Å²	90	128.8 Å²	128.8	74%	0.744	84%	0.843	S	S	*	*				68.7	104.2	68.8	0	0	0	0	0	113.4
4	L	31.9	Very low	32.7	Very low	185 Å²	185	128.6 Å²	128.6	97%	0.969	84%	0.841	S	S	*	*				164.6	121.9	107.9	-86	164.1	0	0	0	109.4
5	G	28.3	Very low	33.1	Very low	73 Å²	73	131.3 Å²	131.3	75%	0.753	84%	0.841	S	S	*	*			trans	-155.1	113	178.6	0	0	0	0	0	111.7
6	N	30.7	Very low	33.1	Very low	164 Å²	164	131.3 Å²	131.3	88%	0.877	84%	0.838	S	S	*	*			trans	81.3	146.8	139.8	-134.1	25.8	0	0	0	123.5
7	S	30.6	Very low	33.4	Very low	101 Å²	101	131.3 Å²	131.3	71%	0.706	84%	0.835	S	S	*	*			trans	71.1	104.4	155.7	63.7	0	0	0	0	120.8
8	G	32.2	Very low	33.4	Very low	71 Å²	71	132.4 Å²	132.4	73%	0.732	83%	0.833	S	S	*	*				67.8	122.6	110.3	0	0	0	0	0	119.5
9	T	30.8	Very low	33.9	Very low	144 Å²	144	129.6 Å²	129.6	88%	0.883	82%	0.824	S	S	*	*			trans	-163.2	132	145.3	11.9	0	0	0	0	110.7
10	V	38.3	Very low	33.9	Very low	142 Å²	142	129.1 Å²	129.1	86%	0.861	82%	0.821	S	S	*	*			trans	-78.9	131	174.1	174.3	0	0	0	0	108.7
11	T	32.9	Very low	34.1	Very low	132 Å²	132	132.5 Å²	132.5	81%	0.81	82%	0.823	S	S	*	*			trans	-138.1	127.7	159	42.3	0	0	0	0	109.7
12	S	37.8	Very low	34.5	Very low	117 Å²	117	126.7 Å²	126.7	82%	0.818	80%	0.802	S	S	*	*			trans	-70.1	145.5	174.8	44.5	0	0	0	0	111
13	S	34.7	Very low	34.8	Very low	112 Å²	112	131.5 Å²	131.5	78%	0.783	80%	0.804	S	S	*	*			trans	-145	149.5	169.9	-73.9	0	0	0	0	110.5
14	P	34	Very low	35.4	Very low	126 Å²	126	133.4 Å²	133.4	82%	0.818	81%	0.807	S	S	*	*			trans	-86.9	168.4	-157.3	35	-35.2	0	0	0	114.4
15	M	39.7	Very low	35.6	Very low	169 Å²	169	133.6 Å²	133.6	83%	0.833	80%	0.8	S	S	*	*			trans	-42.8	139.9	179	-60.8	170.1	76	0	0	115.7
16	V	32.2	Very low	36.2	Very low	131 Å²	131	139.2 Å²	139.2	79%	0.794	80%	0.803	S	S	*	*			trans	-148	106.5	132.7	-176.8	0	0	0	0	108.3	L18	V16-L18 PolarHBondContact O-N 2.66Å
17	V	38.6	Very low	36.6	Very low	131 Å²	131	140.2 Å²	140.2	79%	0.794	80%	0.8	S	S	*	*			trans	-76	110	166.5	176.3	0	0	0	0	107.3	A19	V17-A19 PolarHBondContact O-N 3.25Å
18	L	33.7	Very low	36.8	Very low	152 Å²	152	143.6 Å²	143.6	80%	0.796	80%	0.804	S	S	*	*			trans	-69.4	112	171.3	-92.5	133.5	0	0	0	109.4	V16	V16-L18 PolarHBondContact O-N 2.66Å
19	A	42.6	Very low	37.4	Very low	79 Å²	79	149.4 Å²	149.4	65%	0.653	81%	0.81	S	S	*	*			trans	-61.3	138	169.4	0	0	0	0	0	110.6	V17 K21	V17-A19 PolarHBondContact O-N 3.25Å; A19-K21 PolarHBondContact O-N 2.76Å
20	P	34.8	Very low	37.7	Very low	118 Å²	118	148.4 Å²	148.4	77%	0.766	80%	0.803	S	S	*	*			trans	-70.5	118.7	179.3	27.1	-30.5	0	0	0	109.8	T22	P20-T22 PolarHBondContact O-N 3.41Å
21	K	38.1	Very low	37.7	Very low	201 Å²	201	150.2 Å²	150.2	87%	0.874	80%	0.802	S	S	*	*			trans	-69	95	171.8	-69.4	-177.7	178.1	178.8	0	109.4	A19 K23	A19-K21 PolarHBondContact O-N 2.76Å; K21-K23 PolarHBondContact O-N 2.61Å
22	T	41.2	Very low	37.9	Very low	124 Å²	124	151.1 Å²	151.1	76%	0.761	80%	0.797	S	S	*	*			trans	-69.1	110.3	165.2	33.9	0	0	0	0	108.7	P20 T24	P20-T22 PolarHBondContact O-N 3.41Å; T22-T24 PolarHBondContact O-N 3.46Å
23	K	39.4	Very low	38.2	Very low	200 Å²	200	155.7 Å²	155.7	87%	0.87	80%	0.802	S	S	*	*			trans	-68.3	98.5	170.2	-70.4	-177.9	179.4	178	0	108.2	K21 K25	K21-K23 PolarHBondContact O-N 2.61Å; K23-K25 PolarHBondContact O-N 3.03Å
24	T	40.1	Very low	39.1	Very low	129 Å²	129	155.5 Å²	155.5	79%	0.791	80%	0.796	S	S	*	*			trans	-65.3	99.6	165	35.5	0	0	0	0	108.2	T22 K26	T22-T24 PolarHBondContact O-N 3.46Å; T24-K26 PolarHBondContact O-N 2.87Å
25	K	37.1	Very low	40.3	Very low	190 Å²	190	154.4 Å²	154.4	83%	0.826	78%	0.779	S	S	*	*			trans	-63.6	104.2	165.6	-77.5	-175.2	177.4	179.6	0	106.7	K23 K27	K23-K25 PolarHBondContact O-N 3.03Å; K25-K27 PolarHBondContact O-N 3.23Å
26	K	40	Very low	41.7	Very low	190 Å²	190	148.9 Å²	148.9	83%	0.826	75%	0.754	S	S	*	*			trans	-55.8	103.1	163.7	-76.7	-174.5	175.9	-176.6	0	107	T24 H28	T24-K26 PolarHBondContact O-N 2.87Å; K26-H28 PolarHBondContact O-N 3.36Å
27	K	39.2	Very low	43.9	Very low	185 Å²	185	144 Å²	144	80%	0.804	72%	0.722	S	S	*	*			trans	-69.4	102.9	170.6	-71.2	-176	-179.9	177.2	0	106	K25 F29	K25-K27 PolarHBondContact O-N 3.23Å; K27-F29 PolarHBondContact O-N 3.45Å
28	H	35.6	Very low	45.8	Very low	172 Å²	172	144.7 Å²	144.7	80%	0.796	71%	0.711	S	S	*	*			trans	-64.6	104	162.9	-95.6	-80.8	0	0	0	107	K26 V30	K26-H28 PolarHBondContact O-N 3.36Å; H28-V30 PolarHBondContact O-N 2.88Å
29	F	43.8	Very low	47.9	Very low	194 Å²	194	138.5 Å²	138.5	85%	0.851	68%	0.681	S	S	*	*			trans	-68.9	100.6	162.7	-102.1	-91.4	0	0	0	107	K27 Q31	K27-F29 PolarHBondContact O-N 3.45Å; F29-Q31 PolarHBondContact O-N 2.87Å
30	V	37.8	Very low	49.7	Very low	123 Å²	123	140.7 Å²	140.7	75%	0.745	69%	0.692	S	S	*	*			trans	-70.7	113.4	163.2	178.8	0	0	0	0	105.6	H28 Q32	H28-V30 PolarHBondContact O-N 2.88Å; V30-Q32 PolarHBondContact O-N 3.34Å
31	Q	38.7	Very low	52.2	Low	179 Å²	179	137.8 Å²	137.8	84%	0.836	67%	0.668	S	S	*	*			trans	-58.4	113.9	171	-134.2	175.8	5.1	0	0	107.6	F29 K33	F29-Q31 PolarHBondContact O-N 2.87Å; Q31-K33 PolarHBondContact O-N 3.44Å
32	Q	37.2	Very low	54.7	Low	151 Å²	151	131.3 Å²	131.3	71%	0.706	65%	0.647	S	S	*	*			trans	-66.7	109.2	-176.7	-172.6	165.7	4.3	0	0	109.1	V30 V34 V36	V30-Q32 PolarHBondContact O-N 3.34Å; Q32-V34 PolarHBondContact O-N 2.94Å; Q32-V36 HydrophobicContact CG-CG2 4.44Å
33	K	43.2	Very low	57.1	Low	213 Å²	213	126.8 Å²	126.8	93%	0.926	62%	0.618	S	S	*	*			trans	-74.6	-0.3	-172.8	-71.2	-173.4	175.8	-177.2	0	115.1	Q31	Q31-K33 PolarHBondContact O-N 3.44Å
34	V	54.4	Low	59.6	Low	108 Å²	108	117.7 Å²	117.7	66%	0.655	58%	0.579	S	S	*	*	S	Bend	trans	-121.1	125.8	-174.5	-175.2	0	0	0	0	109.1	Q32 V36	Q32-V34 PolarHBondContact O-N 2.94Å; V34-V36 WeakPolarHBondContact O-CG2 3.35Å; V34-V36 PolarHBondContact O-N 3.26Å; V34-V36 VanDerWaalsContact O-N 3.12Å
35	K	59.4	Low	62.1	Low	104 Å²	104	111.8 Å²	111.8	45%	0.452	54%	0.542	S	S	.	.			trans	-57.3	116.5	172.2	-75.1	-170.9	-177.5	-177	0	108.5	F37 N52	K35-F37 HydrophobicContact CB-CE1 3.97Å; K35-F37 HydrophobicContact CB-CE2 4.45Å; K35-F37 HydrophobicContact CB-CZ 3.84Å; K35-F37 HydrophobicContact CD-CE1 4.09Å; K35-F37 HydrophobicContact CD-CZ 4.11Å; K35-N52 PolarHBondContact NZ-OD1 3.18Å
36	V	68.4	Low	64.9	Low	53 Å²	53	102.7 Å²	102.7	32%	0.321	50%	0.503	S	S	.	.			trans	-96.7	111.5	176.5	-172	0	0	0	0	108.1	Q32 V34 R38 N89	Q32-V36 HydrophobicContact CG-CG2 4.44Å; V34-V36 WeakPolarHBondContact O-CG2 3.35Å; V34-V36 PolarHBondContact O-N 3.26Å; V34-V36 VanDerWaalsContact O-N 3.12Å; V36-R38 VanDerWaalsContact C-N 3.31Å; V36-R38 HydrophobicContact CG1-CB 3.83Å; V36-R38 PolarHBondContact O-N 3.06Å; V36-R38 VanDerWaalsContact O-N 3.1Å; V36-N89 HydrophobicContact CG1-CB 4.13Å; V36-N89 VanDerWaalsContact CG1-CG 3.42Å; V36-N89 WeakPolarHBondContact CG1-OD1 3.24Å
37	F	78.4	Confident	67.6	Low	27 Å²	27	93.7 Å²	93.7	12%	0.118	46%	0.464	C	S	.	.			trans	-86.2	76.6	176.1	-52.4	-60.7	0	0	0	109.4	K35 I48 W49 N52 L90	K35-F37 HydrophobicContact CB-CE1 3.97Å; K35-F37 HydrophobicContact CB-CE2 4.45Å; K35-F37 HydrophobicContact CB-CZ 3.84Å; K35-F37 HydrophobicContact CD-CE1 4.09Å; K35-F37 HydrophobicContact CD-CZ 4.11Å; F37-I48 HydrophobicContact CD1-CB 4.44Å; F37-I48 HydrophobicContact CD1-CG2 3.52Å; F37-I48 HydrophobicContact CE1-CG2 4.16Å; F37-I48 HydrophobicContact CG-CG2 4.41Å; F37-W49 HydrophobicContact CB-CB 4.16Å; F37-W49 HydrophobicContact CD2-CB 4.14Å; F37-W49 AromaticContact CD2-CD1 3.73Å; F37-W49 HydrophobicContact CD2-CG 4.35Å; F37-W49 HydrophobicContact CG-CB 4.17Å; F37-N52 HydrophobicContact CE1-CB 3.91Å; F37-N52 HydrophobicContact CZ-CB 3.77Å; F37-N52 VanDerWaalsContact CZ-CG 3.46Å; F37-L90 HydrophobicContact CB-CD2 4.35Å
38	R	78.9	Confident	70.2	Confident	147 Å²	147	85 Å²	85	56%	0.555	43%	0.426	S	S	*	.			trans	-127.5	126	-178.6	-178.9	176.2	178.7	163.8	0.3	110.3	V36 N89 P126	V36-R38 VanDerWaalsContact C-N 3.31Å; V36-R38 HydrophobicContact CG1-CB 3.83Å; V36-R38 PolarHBondContact O-N 3.06Å; V36-R38 VanDerWaalsContact O-N 3.1Å; R38-N89 HydrophobicContact CB-CB 4.48Å; R38-P126 WeakPolarHBondContact O-CG 3.34Å
39	A	78.3	Confident	73.1	Confident	21 Å²	21	79 Å²	79	17%	0.174	40%	0.397	C	S	.	.			trans	-128.2	169.4	171.8	0	0	0	0	0	110	E41 V44 S45 P126	A39-E41 PolarHBondContact O-N 3.15Å; A39-V44 HydrophobicContact CB-CB 3.77Å; A39-V44 HydrophobicContact CB-CG1 3.62Å; A39-S45 PolarHBondContact N-OG 3.09Å; A39-P126 HydrophobicContact CB-CB 4.04Å; A39-P126 HydrophobicContact CB-CG 4.42Å
40	S	80.1	Confident	75.6	Confident	125 Å²	125	69.8 Å²	69.8	87%	0.874	36%	0.356	S	S	*	.	S	Bend	trans	-61.5	-35.1	172.8	48.2	0	0	0	0	111.9
41	E	86.9	Confident	78.5	Confident	57 Å²	57	64 Å²	64	27%	0.266	32%	0.321	S	S	.	.	S	Bend	trans	-102.6	132.3	-179.9	-61.1	-166.9	161.9	0	0	111.8	A39 I43 V44 S45 R129	A39-E41 PolarHBondContact O-N 3.15Å; E41-I43 VanDerWaalsContact C-N 3.28Å; E41-I43 PolarHBondContact O-N 2.86Å; E41-V44 HydrophobicContact CB-CB 4.37Å; E41-V44 HydrophobicContact CB-CG2 4.01Å; E41-V44 PolarHBondContact O-N 3.2Å; E41-S45 PolarHBondContact O-N 3.31Å; E41-S45 VanDerWaalsContact O-N 3.11Å; E41-S45 PolarHBondContact O-OG 2.86Å; E41-R129 IonicContact OE1-CZ 3.75Å; E41-R129 VanDerWaalsContact OE1-CZ 3.29Å; E41-R129 IonicContact OE1-NH1 3.72Å; E41-R129 IonicContact OE1-NH2 3.47Å; E41-R129 PolarHBondContact OE1-NH2 2.86Å; E41-R129 IonicContact OE2-NH2 2.85Å; E41-R129 PolarHBondContact OE2-NH2 2.82Å
42	P	90.8	Very high	81.2	Confident	66 Å²	66	56.5 Å²	56.5	43%	0.429	29%	0.287	S	S	.	.	H	α-helix	trans	-56.5	-39.5	177.5	-28.7	36.3	0	0	0	113.7	V44 S45 V46 P91 V191	P42-V44 VanDerWaalsContact C-N 3.34Å; P42-V44 PolarHBondContact O-N 3.05Å; P42-S45 PolarHBondContact O-N 3.29Å; P42-V46 WeakPolarHBondContact O-CG2 3.42Å; P42-V46 PolarHBondContact O-N 2.79Å; P42-P91 HydrophobicContact CB-CG 3.93Å; P42-V191 HydrophobicContact CB-CG1 3.87Å
43	I	91.4	Very high	84	Confident	29 Å²	29	51.6 Å²	51.6	15%	0.149	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-44.6	178.5	-67.9	169.4	0	0	0	110.6	E41 V46 F47 V189 V191 A196	E41-I43 VanDerWaalsContact C-N 3.28Å; E41-I43 PolarHBondContact O-N 2.86Å; I43-V46 PolarHBondContact O-N 2.88Å; I43-F47 WeakPolarHBondContact O-CB 3.47Å; I43-F47 PolarHBondContact O-N 3.17Å; I43-V189 HydrophobicContact CB-CG1 4.43Å; I43-V189 HydrophobicContact CG2-CB 4.27Å; I43-V189 HydrophobicContact CG2-CG1 4.02Å; I43-V191 HydrophobicContact CG1-CG2 4.41Å; I43-A196 HydrophobicContact CD1-CB 4.14Å; I43-A196 HydrophobicContact CG2-CB 3.86Å
44	V	92.6	Very high	86.6	Confident	9 Å²	9	41.8 Å²	41.8	6%	0.055	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-40.6	178.8	-179.9	0	0	0	0	110.8	A39 E41 P42 V46 F47 I48 L138 L140	A39-V44 HydrophobicContact CB-CB 3.77Å; A39-V44 HydrophobicContact CB-CG1 3.62Å; E41-V44 HydrophobicContact CB-CB 4.37Å; E41-V44 HydrophobicContact CB-CG2 4.01Å; E41-V44 PolarHBondContact O-N 3.2Å; P42-V44 VanDerWaalsContact C-N 3.34Å; P42-V44 PolarHBondContact O-N 3.05Å; V44-V46 PolarHBondContact O-N 3.15Å; V44-F47 WeakPolarHBondContact O-CB 3.32Å; V44-F47 PolarHBondContact O-N 3.03Å; V44-I48 HydrophobicContact CG1-CD1 3.92Å; V44-I48 HydrophobicContact CG1-CG1 4.36Å; V44-I48 WeakPolarHBondContact O-CD1 3.41Å; V44-I48 WeakPolarHBondContact O-CG1 3.5Å; V44-I48 PolarHBondContact O-N 3.39Å; V44-L138 HydrophobicContact CG2-CD2 4.48Å; V44-L140 HydrophobicContact CG1-CD1 4.46Å; V44-L140 HydrophobicContact CG2-CD1 3.74Å
45	S	92.8	Very high	88.5	Confident	4 Å²	4	37 Å²	37	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-60.8	-44.5	176.6	-54	0	0	0	0	112	A39 E41 P42 W49	A39-S45 PolarHBondContact N-OG 3.09Å; E41-S45 PolarHBondContact O-N 3.31Å; E41-S45 VanDerWaalsContact O-N 3.11Å; E41-S45 PolarHBondContact O-OG 2.86Å; P42-S45 PolarHBondContact O-N 3.29Å; S45-W49 WeakPolarHBondContact O-CB 3.27Å; S45-W49 PolarHBondContact O-N 3.11Å; S45-W49 VanDerWaalsContact O-N 3.08Å
46	V	95	Very high	90.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.7	-37.5	177	173.7	0	0	0	0	111.9	P42 I43 V44 W49 G50 P91 F94 V189 V191	P42-V46 WeakPolarHBondContact O-CG2 3.42Å; P42-V46 PolarHBondContact O-N 2.79Å; I43-V46 PolarHBondContact O-N 2.88Å; V44-V46 PolarHBondContact O-N 3.15Å; V46-W49 PolarHBondContact O-N 2.97Å; V46-G50 PolarHBondContact O-N 3.1Å; V46-P91 HydrophobicContact CG2-CG 3.82Å; V46-F94 HydrophobicContact CB-CD2 4.25Å; V46-F94 HydrophobicContact CB-CG 4.45Å; V46-F94 HydrophobicContact CG1-CB 4.14Å; V46-F94 HydrophobicContact CG1-CD2 3.35Å; V46-F94 HydrophobicContact CG1-CE2 3.89Å; V46-F94 HydrophobicContact CG1-CG 3.91Å; V46-F94 HydrophobicContact CG2-CB 3.81Å; V46-F94 HydrophobicContact CG2-CD1 3.95Å; V46-F94 HydrophobicContact CG2-CD2 3.86Å; V46-F94 HydrophobicContact CG2-CE1 4.46Å; V46-F94 HydrophobicContact CG2-CE2 4.38Å; V46-F94 HydrophobicContact CG2-CG 3.61Å; V46-V189 HydrophobicContact CB-CG1 3.78Å; V46-V189 HydrophobicContact CG1-CG1 3.61Å; V46-V191 HydrophobicContact CB-CG2 4.15Å; V46-V191 HydrophobicContact CG2-CG2 3.71Å
47	F	96.1	Very high	91.5	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-57.7	-51.8	173.4	168.9	-109	0	0	0	111.1	I43 V44 W49 G50 V51 L122 P127 I149 Y187 V189 L198 V200	I43-F47 WeakPolarHBondContact O-CB 3.47Å; I43-F47 PolarHBondContact O-N 3.17Å; V44-F47 WeakPolarHBondContact O-CB 3.32Å; V44-F47 PolarHBondContact O-N 3.03Å; F47-W49 PolarHBondContact O-N 3.08Å; F47-G50 PolarHBondContact O-N 2.92Å; F47-G50 VanDerWaalsContact O-N 3.16Å; F47-V51 HydrophobicContact CD2-CG2 3.99Å; F47-V51 HydrophobicContact CE1-CG2 4.35Å; F47-V51 HydrophobicContact CE2-CG2 3.53Å; F47-V51 HydrophobicContact CZ-CG2 3.74Å; F47-V51 WeakPolarHBondContact O-CG2 3.29Å; F47-V51 PolarHBondContact O-N 3.36Å; F47-L122 HydrophobicContact CE1-CD2 4.3Å; F47-L122 HydrophobicContact CZ-CD1 4.3Å; F47-L122 HydrophobicContact CZ-CD2 4.32Å; F47-P127 HydrophobicContact CE1-CG 4.38Å; F47-I149 HydrophobicContact CE1-CG1 3.97Å; F47-I149 HydrophobicContact CE1-CG2 4.32Å; F47-I149 HydrophobicContact CE2-CG2 4.47Å; F47-I149 HydrophobicContact CZ-CG1 3.94Å; F47-I149 HydrophobicContact CZ-CG2 4.06Å; F47-Y187 HydrophobicContact CD2-CD2 4.39Å; F47-Y187 AromaticContact CE2-CD2 3.68Å; F47-Y187 HydrophobicContact CE2-CD2 3.68Å; F47-Y187 HydrophobicContact CE2-CE2 4.04Å; F47-Y187 HydrophobicContact CE2-CG 4.31Å; F47-V189 HydrophobicContact CB-CG2 4.04Å; F47-L198 HydrophobicContact CB-CD1 3.94Å; F47-L198 HydrophobicContact CD2-CD1 3.5Å; F47-L198 HydrophobicContact CE2-CD1 4.18Å; F47-L198 HydrophobicContact CG-CD1 3.77Å; F47-V200 HydrophobicContact CE2-CG2 4.06Å; F47-V200 HydrophobicContact CZ-CG2 3.73Å
48	I	95.3	Very high	92.2	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-47.3	-179.8	-61.8	162.1	0	0	0	111	F37 V44 G50 V51 N52 T123 P126	F37-I48 HydrophobicContact CD1-CB 4.44Å; F37-I48 HydrophobicContact CD1-CG2 3.52Å; F37-I48 HydrophobicContact CE1-CG2 4.16Å; F37-I48 HydrophobicContact CG-CG2 4.41Å; V44-I48 HydrophobicContact CG1-CD1 3.92Å; V44-I48 HydrophobicContact CG1-CG1 4.36Å; V44-I48 WeakPolarHBondContact O-CD1 3.41Å; V44-I48 WeakPolarHBondContact O-CG1 3.5Å; V44-I48 PolarHBondContact O-N 3.39Å; I48-G50 VanDerWaalsContact C-N 3.28Å; I48-G50 PolarHBondContact O-N 2.9Å; I48-V51 PolarHBondContact O-N 3.02Å; I48-N52 WeakPolarHBondContact O-CB 3.44Å; I48-N52 PolarHBondContact O-N 3.02Å; I48-T123 HydrophobicContact CG2-CG2 3.82Å; I48-P126 HydrophobicContact CD1-CB 4.04Å; I48-P126 HydrophobicContact CD1-CG 4.41Å
49	W	95.9	Very high	92.9	Very high	46 Å²	46	32 Å²	32	17%	0.174	19%	0.187	C	C	.	.	H	α-helix	trans	-58.1	-43.8	176.2	173.8	88.5	0	0	0	111.5	F37 S45 V46 F47 N52 H53 V78 V80 L90 F94 F96	F37-W49 HydrophobicContact CB-CB 4.16Å; F37-W49 HydrophobicContact CD2-CB 4.14Å; F37-W49 AromaticContact CD2-CD1 3.73Å; F37-W49 HydrophobicContact CD2-CG 4.35Å; F37-W49 HydrophobicContact CG-CB 4.17Å; S45-W49 WeakPolarHBondContact O-CB 3.27Å; S45-W49 PolarHBondContact O-N 3.11Å; S45-W49 VanDerWaalsContact O-N 3.08Å; V46-W49 PolarHBondContact O-N 2.97Å; F47-W49 PolarHBondContact O-N 3.08Å; W49-N52 PolarHBondContact O-N 3.31Å; W49-H53 HydrophobicContact CH2-CB 4.41Å; W49-H53 AromaticContact CH2-CD2 3.65Å; W49-H53 HydrophobicContact CZ3-CB 4.49Å; W49-H53 WeakPolarHBondContact O-CB 3.46Å; W49-H53 PolarHBondContact O-N 2.9Å; W49-V78 HydrophobicContact CH2-CB 4.48Å; W49-V78 HydrophobicContact CH2-CG1 3.83Å; W49-V78 HydrophobicContact CZ3-CG1 4.4Å; W49-V80 HydrophobicContact CH2-CG2 3.53Å; W49-V80 HydrophobicContact CZ2-CG2 3.87Å; W49-V80 HydrophobicContact CZ3-CG2 4.16Å; W49-L90 HydrophobicContact CB-CD1 4.27Å; W49-L90 HydrophobicContact CB-CD2 3.98Å; W49-L90 HydrophobicContact CG-CD1 3.86Å; W49-L90 HydrophobicContact CG-CD2 4.41Å; W49-F94 HydrophobicContact CD2-CE2 4Å; W49-F94 AromaticContact CD2-CZ 3.96Å; W49-F94 HydrophobicContact CD2-CZ 3.96Å; W49-F94 AromaticContact CE3-CE2 3.46Å; W49-F94 HydrophobicContact CE3-CE2 3.46Å; W49-F94 VanDerWaalsContact CE3-CE2 3.46Å; W49-F94 AromaticContact CE3-CZ 3.92Å; W49-F94 HydrophobicContact CE3-CZ 3.92Å; W49-F94 HydrophobicContact CH2-CE2 4.1Å; W49-F94 HydrophobicContact CH2-CZ 4.42Å; W49-F94 HydrophobicContact CZ2-CZ 4.43Å; W49-F94 AromaticContact CZ3-CE2 3.55Å; W49-F94 HydrophobicContact CZ3-CE2 3.55Å; W49-F94 HydrophobicContact CZ3-CZ 4.18Å; W49-F96 HydrophobicContact CZ3-CB 4.23Å
50	G	97	Very high	93.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-66.5	-44.5	-177.5	0	0	0	0	0	112.5	V46 F47 I48 H53 S54 F96	V46-G50 PolarHBondContact O-N 3.1Å; F47-G50 PolarHBondContact O-N 2.92Å; F47-G50 VanDerWaalsContact O-N 3.16Å; I48-G50 VanDerWaalsContact C-N 3.28Å; I48-G50 PolarHBondContact O-N 2.9Å; G50-H53 PolarHBondContact O-N 3.47Å; G50-S54 WeakPolarHBondContact O-CB 3.31Å; G50-S54 PolarHBondContact O-N 3.4Å; G50-F96 VanDerWaalsContact C-CE1 3.48Å; G50-F96 WeakPolarHBondContact O-CE1 3.41Å
51	V	97.5	Very high	94.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-48	173.1	171.4	0	0	0	0	110.4	F47 I48 H53 S54 I55 Y118 L122 T123 Y187	F47-V51 HydrophobicContact CD2-CG2 3.99Å; F47-V51 HydrophobicContact CE1-CG2 4.35Å; F47-V51 HydrophobicContact CE2-CG2 3.53Å; F47-V51 HydrophobicContact CZ-CG2 3.74Å; F47-V51 WeakPolarHBondContact O-CG2 3.29Å; F47-V51 PolarHBondContact O-N 3.36Å; I48-V51 PolarHBondContact O-N 3.02Å; V51-H53 VanDerWaalsContact C-N 3.3Å; V51-H53 PolarHBondContact O-N 3.15Å; V51-S54 PolarHBondContact O-N 3.07Å; V51-I55 HydrophobicContact CG1-CG1 4.3Å; V51-I55 WeakPolarHBondContact O-CG1 3.33Å; V51-I55 PolarHBondContact O-N 2.87Å; V51-Y118 HydrophobicContact CG1-CE1 4.06Å; V51-L122 HydrophobicContact CG1-CB 4.16Å; V51-L122 HydrophobicContact CG1-CD1 3.83Å; V51-L122 HydrophobicContact CG2-CD1 4.27Å; V51-T123 HydrophobicContact CB-CG2 4.32Å; V51-T123 HydrophobicContact CG1-CG2 4.1Å; V51-Y187 HydrophobicContact CG2-CE2 4.33Å
52	N	96.2	Very high	94.6	Very high	23 Å²	23	38.3 Å²	38.3	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-56.9	-45.8	177.7	-179.8	90.6	0	0	0	111.4	K35 F37 I48 W49 N56 Q119 T123	K35-N52 PolarHBondContact NZ-OD1 3.18Å; F37-N52 HydrophobicContact CE1-CB 3.91Å; F37-N52 HydrophobicContact CZ-CB 3.77Å; F37-N52 VanDerWaalsContact CZ-CG 3.46Å; I48-N52 WeakPolarHBondContact O-CB 3.44Å; I48-N52 PolarHBondContact O-N 3.02Å; W49-N52 PolarHBondContact O-N 3.31Å; N52-N56 PolarHBondContact ND2-ND2 3.41Å; N52-N56 WeakPolarHBondContact O-CB 3.09Å; N52-N56 PolarHBondContact O-N 3.14Å; N52-N56 PolarHBondContact O-ND2 2.87Å; N52-Q119 PolarHBondContact O-NE2 3.15Å; N52-T123 HydrophobicContact CB-CG2 3.96Å
53	H	95.7	Very high	94.7	Very high	48 Å²	48	39.8 Å²	39.8	22%	0.222	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-49.6	177.5	179.9	39.6	0	0	0	112.6	W49 G50 V51 I55 N56 D57	W49-H53 HydrophobicContact CH2-CB 4.41Å; W49-H53 AromaticContact CH2-CD2 3.65Å; W49-H53 HydrophobicContact CZ3-CB 4.49Å; W49-H53 WeakPolarHBondContact O-CB 3.46Å; W49-H53 PolarHBondContact O-N 2.9Å; G50-H53 PolarHBondContact O-N 3.47Å; V51-H53 VanDerWaalsContact C-N 3.3Å; V51-H53 PolarHBondContact O-N 3.15Å; H53-I55 PolarHBondContact O-N 3.44Å; H53-N56 PolarHBondContact O-N 3.25Å; H53-D57 VanDerWaalsContact CE1-CG 3.42Å; H53-D57 IonicContact CE1-OD1 3.29Å; H53-D57 PolarHBondContact CE1-OD1 2.82Å; H53-D57 VanDerWaalsContact CE1-OD1 3.29Å; H53-D57 IonicContact CE1-OD2 3.39Å; H53-D57 PolarHBondContact CE1-OD2 3.15Å; H53-D57 IonicContact ND1-OD1 3.34Å; H53-D57 PolarHBondContact ND1-OD1 2.84Å; H53-D57 VanDerWaalsContact ND1-OD1 3.15Å; H53-D57 IonicContact ND1-OD2 3.93Å; H53-D57 IonicContact NE2-OD2 3.86Å; H53-D57 WeakPolarHBondContact O-CB 3.34Å; H53-D57 PolarHBondContact O-N 2.75Å
54	S	96.7	Very high	94.7	Very high	7 Å²	7	40.8 Å²	40.8	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-56.5	-48.2	180	-111.8	0	0	0	0	112.3	G50 V51 N56 D57 L58 E98	G50-S54 WeakPolarHBondContact O-CB 3.31Å; G50-S54 PolarHBondContact O-N 3.4Å; V51-S54 PolarHBondContact O-N 3.07Å; S54-N56 PolarHBondContact O-N 3.26Å; S54-D57 PolarHBondContact O-N 3.03Å; S54-L58 WeakPolarHBondContact O-CB 3.46Å; S54-L58 PolarHBondContact O-N 2.98Å; S54-E98 WeakPolarHBondContact CB-OE2 3.5Å; S54-E98 PolarHBondContact OG-OE2 3.49Å
55	I	96.1	Very high	94.7	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-66.5	-40	-178.8	-61.5	-49.7	0	0	0	111.5	V51 H53 L58 S59 D115 Y118 Q119	V51-I55 HydrophobicContact CG1-CG1 4.3Å; V51-I55 WeakPolarHBondContact O-CG1 3.33Å; V51-I55 PolarHBondContact O-N 2.87Å; H53-I55 PolarHBondContact O-N 3.44Å; I55-L58 PolarHBondContact O-N 3Å; I55-S59 WeakPolarHBondContact O-CB 3.32Å; I55-S59 PolarHBondContact O-N 2.77Å; I55-D115 HydrophobicContact CG2-CB 4.13Å; I55-Y118 HydrophobicContact CD1-CD1 4.01Å; I55-Y118 HydrophobicContact CD1-CE1 4.19Å; I55-Y118 HydrophobicContact CG1-CD1 4.16Å; I55-Y118 HydrophobicContact CG1-CE1 4.46Å; I55-Q119 HydrophobicContact CB-CB 4.24Å; I55-Q119 HydrophobicContact CB-CG 4.21Å; I55-Q119 HydrophobicContact CG1-CB 4.22Å; I55-Q119 HydrophobicContact CG1-CG 4.43Å; I55-Q119 HydrophobicContact CG2-CB 4.03Å; I55-Q119 HydrophobicContact CG2-CG 4.37Å
56	N	95.4	Very high	94.7	Very high	69 Å²	69	53.7 Å²	53.7	37%	0.369	30%	0.3	S	S	.	.	H	α-helix	trans	-65	-43.7	177.1	-70.5	-25.8	0	0	0	111.4	N52 H53 S54 S59 Q119	N52-N56 PolarHBondContact ND2-ND2 3.41Å; N52-N56 WeakPolarHBondContact O-CB 3.09Å; N52-N56 PolarHBondContact O-N 3.14Å; N52-N56 PolarHBondContact O-ND2 2.87Å; H53-N56 PolarHBondContact O-N 3.25Å; S54-N56 PolarHBondContact O-N 3.26Å; N56-S59 PolarHBondContact O-N 3.13Å; N56-S59 PolarHBondContact O-OG 3.01Å; N56-Q119 PolarHBondContact OD1-NE2 2.91Å
57	D	94.7	Very high	94.8	Very high	75 Å²	75	55.3 Å²	55.3	40%	0.401	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-44.1	177	-75.7	18.6	0	0	0	110.9	H53 S54 S59 Q60	H53-D57 VanDerWaalsContact CE1-CG 3.42Å; H53-D57 IonicContact CE1-OD1 3.29Å; H53-D57 PolarHBondContact CE1-OD1 2.82Å; H53-D57 VanDerWaalsContact CE1-OD1 3.29Å; H53-D57 IonicContact CE1-OD2 3.39Å; H53-D57 PolarHBondContact CE1-OD2 3.15Å; H53-D57 IonicContact ND1-OD1 3.34Å; H53-D57 PolarHBondContact ND1-OD1 2.84Å; H53-D57 VanDerWaalsContact ND1-OD1 3.15Å; H53-D57 IonicContact ND1-OD2 3.93Å; H53-D57 IonicContact NE2-OD2 3.86Å; H53-D57 WeakPolarHBondContact O-CB 3.34Å; H53-D57 PolarHBondContact O-N 2.75Å; S54-D57 PolarHBondContact O-N 3.03Å; D57-S59 VanDerWaalsContact C-N 3.28Å; D57-S59 PolarHBondContact O-N 3.1Å; D57-Q60 WeakPolarHBondContact O-CB 3.04Å; D57-Q60 PolarHBondContact O-N 2.98Å; D57-Q60 VanDerWaalsContact O-N 3.09Å
58	L	93.3	Very high	94.8	Very high	9 Å²	9	59.8 Å²	59.8	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-66.6	-29.1	-179.7	-167.6	61.2	0	0	0	112.7	S54 I55 Q60 V61 P101 R105	S54-L58 WeakPolarHBondContact O-CB 3.46Å; S54-L58 PolarHBondContact O-N 2.98Å; I55-L58 PolarHBondContact O-N 3Å; L58-Q60 PolarHBondContact O-N 3.31Å; L58-V61 HydrophobicContact CD1-CB 4.33Å; L58-V61 PolarHBondContact O-N 2.79Å; L58-P101 HydrophobicContact CD1-CB 4.28Å; L58-P101 HydrophobicContact CD2-CB 4.45Å; L58-R105 HydrophobicContact CD2-CB 3.81Å; L58-R105 HydrophobicContact CD2-CG 4.26Å; L58-R105 PolarHBondContact O-NH1 3.39Å
59	S	93.5	Very high	94.9	Very high	74 Å²	74	64.4 Å²	64.4	52%	0.517	36%	0.362	S	S	.	.	H	α-helix	trans	-62.3	-24.1	173.4	78.2	0	0	0	0	113.2	I55 N56 D57	I55-S59 WeakPolarHBondContact O-CB 3.32Å; I55-S59 PolarHBondContact O-N 2.77Å; N56-S59 PolarHBondContact O-N 3.13Å; N56-S59 PolarHBondContact O-OG 3.01Å; D57-S59 VanDerWaalsContact C-N 3.28Å; D57-S59 PolarHBondContact O-N 3.1Å
60	Q	94.3	Very high	94.9	Very high	161 Å²	161	67.9 Å²	67.9	75%	0.752	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-11.6	176.6	-53.9	-55.5	-53.2	0	0	112.5	D57 L58	D57-Q60 WeakPolarHBondContact O-CB 3.04Å; D57-Q60 PolarHBondContact O-N 2.98Å; D57-Q60 VanDerWaalsContact O-N 3.09Å; L58-Q60 PolarHBondContact O-N 3.31Å
61	V	94.1	Very high	95	Very high	65 Å²	65	69.3 Å²	69.3	39%	0.394	39%	0.392	S	S	.	.	S	Bend	trans	-91.8	125.6	178.9	-176.6	0	0	0	0	108.8	L58 R105	L58-V61 HydrophobicContact CD1-CB 4.33Å; L58-V61 PolarHBondContact O-N 2.79Å; V61-R105 PolarHBondContact O-NH1 2.86Å
62	P	92.5	Very high	95	Very high	110 Å²	110	70.8 Å²	70.8	71%	0.714	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-58.6	147.5	180	24.8	-34.2	0	0	0	111.6	P64 R105	P62-P64 WeakPolarHBondContact O-CD 3.3Å; P62-R105 PolarHBondContact O-NH2 2.88Å
63	V	92.4	Very high	95	Very high	97 Å²	97	77.1 Å²	77.1	59%	0.588	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-73.5	118.4	176.3	-175.9	0	0	0	0	109.1
64	P	91.9	Very high	95.1	Very high	50 Å²	50	76.6 Å²	76.6	33%	0.325	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-69.9	144.9	178.6	30.2	-34.9	0	0	0	110.3	P62 M66 L67 Q102 R105	P62-P64 WeakPolarHBondContact O-CD 3.3Å; P64-M66 VanDerWaalsContact C-N 3.27Å; P64-M66 PolarHBondContact O-N 2.6Å; P64-L67 HydrophobicContact CG-CD2 4.32Å; P64-Q102 VanDerWaalsContact CD-OE1 3.3Å; P64-R105 VanDerWaalsContact CD-NH2 3.3Å
65	V	91.8	Very high	95.1	Very high	149 Å²	149	80 Å²	80	90%	0.903	45%	0.446	S	S	*	.	S	Bend	trans	-65	-34.2	177.2	177.4	0	0	0	0	111.6
66	M	93.4	Very high	95.2	Very high	134 Å²	134	82.7 Å²	82.7	66%	0.66	46%	0.463	S	S	*	.	S	Bend	trans	-143.8	148.6	175.8	63	177.2	60	0	0	110	P64 L68	P64-M66 VanDerWaalsContact C-N 3.27Å; P64-M66 PolarHBondContact O-N 2.6Å; M66-L68 HydrophobicContact CG-CD2 4.47Å
67	L	96.9	Very high	95.3	Very high	34 Å²	34	84.8 Å²	84.8	18%	0.178	47%	0.468	C	S	.	.			trans	-77.2	138.4	171.6	-62.1	176.6	0	0	0	110.1	P64 D71 F72 Q102 V103 N106 H168	P64-L67 HydrophobicContact CG-CD2 4.32Å; L67-D71 WeakPolarHBondContact CA-OD2 3.41Å; L67-D71 HydrophobicContact CD2-CB 4.39Å; L67-F72 HydrophobicContact CB-CE2 4Å; L67-F72 HydrophobicContact CB-CZ 4.41Å; L67-F72 HydrophobicContact CD1-CE2 4.37Å; L67-F72 HydrophobicContact CD1-CZ 4.02Å; L67-Q102 HydrophobicContact CD2-CB 3.97Å; L67-V103 HydrophobicContact CD1-CB 4.37Å; L67-V103 HydrophobicContact CD1-CG1 4.3Å; L67-V103 HydrophobicContact CD1-CG2 4.23Å; L67-N106 HydrophobicContact CD1-CB 4.16Å; L67-H168 VanDerWaalsContact CD1-NE2 3.33Å; L67-H168 WeakPolarHBondContact CD1-NE2 3.46Å
68	L	96.7	Very high	95.4	Very high	95 Å²	95	82.7 Å²	82.7	50%	0.497	46%	0.458	S	S	.	.			trans	-100.1	158.9	176.1	-60.5	179.8	0	0	0	110.6	M66 D70 D71 F72	M66-L68 HydrophobicContact CG-CD2 4.47Å; L68-D70 PolarHBondContact O-N 3.34Å; L68-D70 VanDerWaalsContact O-N 3.09Å; L68-D71 PolarHBondContact N-OD2 3.11Å; L68-D71 WeakPolarHBondContact O-CB 2.96Å; L68-D71 PolarHBondContact O-N 2.81Å; L68-F72 WeakPolarHBondContact O-CD2 3.25Å
69	P	96.6	Very high	95.5	Very high	100 Å²	100	88.5 Å²	88.5	65%	0.649	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-54.6	-30.4	177.4	-28.2	36.3	0	0	0	114.5	D71 F72	P69-D71 VanDerWaalsContact C-N 3.32Å; P69-F72 PolarHBondContact O-N 3.09Å
70	D	97	Very high	95.5	Very high	120 Å²	120	86 Å²	86	64%	0.642	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-70.7	-26.7	178.2	-70.7	-20	0	0	0	112.7	L68 F72 K73 A74	L68-D70 PolarHBondContact O-N 3.34Å; L68-D70 VanDerWaalsContact O-N 3.09Å; D70-F72 PolarHBondContact O-N 2.94Å; D70-K73 CarbonylContact O-C 3.57Å; D70-K73 PolarHBondContact O-N 3.35Å; D70-A74 PolarHBondContact O-N 2.93Å
71	D	98	Very high	95.2	Very high	30 Å²	30	82.6 Å²	82.6	16%	0.16	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-63.1	-30.4	176.9	-66	-45.8	0	0	0	111.8	L67 L68 P69 K73 A74 Q102 V103	L67-D71 WeakPolarHBondContact CA-OD2 3.41Å; L67-D71 HydrophobicContact CD2-CB 4.39Å; L68-D71 PolarHBondContact N-OD2 3.11Å; L68-D71 WeakPolarHBondContact O-CB 2.96Å; L68-D71 PolarHBondContact O-N 2.81Å; P69-D71 VanDerWaalsContact C-N 3.32Å; D71-K73 PolarHBondContact O-N 3.49Å; D71-A74 PolarHBondContact O-N 3.47Å; D71-Q102 HydrophobicContact CB-CB 4.25Å; D71-V103 HydrophobicContact CB-CG2 4Å; D71-V103 WeakPolarHBondContact O-CG2 3.34Å
72	F	97.9	Very high	94.8	Very high	30 Å²	30	80.9 Å²	80.9	13%	0.132	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-77.6	-4.5	177.2	-65.9	-91	0	0	0	113.8	L67 L68 P69 D70 C100 V103 H161 L164 S165 H168	L67-F72 HydrophobicContact CB-CE2 4Å; L67-F72 HydrophobicContact CB-CZ 4.41Å; L67-F72 HydrophobicContact CD1-CE2 4.37Å; L67-F72 HydrophobicContact CD1-CZ 4.02Å; L68-F72 WeakPolarHBondContact O-CD2 3.25Å; P69-F72 PolarHBondContact O-N 3.09Å; D70-F72 PolarHBondContact O-N 2.94Å; F72-C100 PolarHBondContact O-SG 3.27Å; F72-V103 HydrophobicContact CD1-CG1 4Å; F72-V103 HydrophobicContact CD1-CG2 3.79Å; F72-V103 HydrophobicContact CD2-CG2 4.21Å; F72-V103 HydrophobicContact CE1-CB 4.38Å; F72-V103 HydrophobicContact CE1-CG1 3.53Å; F72-V103 HydrophobicContact CE1-CG2 3.87Å; F72-V103 HydrophobicContact CE2-CG2 4.29Å; F72-V103 HydrophobicContact CG-CG2 3.96Å; F72-V103 HydrophobicContact CZ-CG1 4.15Å; F72-V103 HydrophobicContact CZ-CG2 4.13Å; F72-H161 PolarHBondContact O-ND1 3.17Å; F72-L164 HydrophobicContact CD1-CB 4.32Å; F72-L164 HydrophobicContact CD1-CD2 4.08Å; F72-L164 HydrophobicContact CD1-CG 3.89Å; F72-L164 HydrophobicContact CE1-CG 4.25Å; F72-S165 VanDerWaalsContact CE1-CA 3.49Å; F72-H168 HydrophobicContact CE1-CB 3.92Å; F72-H168 HydrophobicContact CZ-CB 4.12Å
73	K	96.6	Very high	94.4	Very high	157 Å²	157	83.5 Å²	83.5	68%	0.683	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.9	-12.9	175.1	-60.9	176.1	-175.1	170.9	0	112.3	D70 D71	D70-K73 CarbonylContact O-C 3.57Å; D70-K73 PolarHBondContact O-N 3.35Å; D71-K73 PolarHBondContact O-N 3.49Å
74	A	97.6	Very high	93.7	Very high	36 Å²	36	85.1 Å²	85.1	30%	0.298	45%	0.448	S	S	.	.			trans	-60.4	150.8	-179.9	0	0	0	0	0	111.6	D70 D71 C100	D70-A74 PolarHBondContact O-N 2.93Å; D71-A74 PolarHBondContact O-N 3.47Å; A74-C100 WeakPolarHBondContact O-CA 3.11Å; A74-C100 PolarHBondContact O-N 2.9Å
75	N	97.4	Very high	93	Very high	79 Å²	79	89.5 Å²	89.5	42%	0.422	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	150.9	172.3	62.1	100.3	0	0	0	110.5	K97 E98	N75-K97 HydrophobicContact CB-CG 4.41Å; N75-K97 VanDerWaalsContact CG-CE 3.41Å; N75-K97 VanDerWaalsContact OD1-CE 3.27Å; N75-K97 WeakPolarHBondContact OD1-CE 3.44Å; N75-E98 CarbonylContact C-O 3.57Å; N75-E98 WeakPolarHBondContact CA-O 3.42Å; N75-E98 VanDerWaalsContact CB-O 3.29Å; N75-E98 WeakPolarHBondContact CB-O 3.44Å
76	T	97.3	Very high	92.3	Very high	63 Å²	63	85.2 Å²	85.2	39%	0.387	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.6	172.7	-59.1	0	0	0	0	108	V78 K97 E98	T76-V78 HydrophobicContact CG2-CG2 4.47Å; T76-K97 CarbonylContact O-C 3.58Å; T76-K97 VanDerWaalsContact O-CA 3.22Å; T76-K97 WeakPolarHBondContact O-CA 3.41Å; T76-E98 PolarHBondContact N-O 3.43Å; T76-E98 PolarHBondContact O-N 3.23Å
77	K	97.1	Very high	91.5	Very high	112 Å²	112	85.4 Å²	85.4	49%	0.487	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.1	180	-174.4	-178.5	-179	-178.1	0	110.6	F96 K97	K77-F96 CarbonylContact C-O 3.58Å; K77-F96 WeakPolarHBondContact CA-O 3.33Å; K77-K97 HydrophobicContact CB-CB 4.47Å; K77-K97 HydrophobicContact CB-CG 4.43Å; K77-K97 HydrophobicContact CG-CB 4.36Å
78	V	96.6	Very high	90.5	Very high	31 Å²	31	91.1 Å²	91.1	19%	0.188	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.7	179.2	-170.7	0	0	0	0	108.7	W49 T76 V80 K95 F96	W49-V78 HydrophobicContact CH2-CB 4.48Å; W49-V78 HydrophobicContact CH2-CG1 3.83Å; W49-V78 HydrophobicContact CZ3-CG1 4.4Å; T76-V78 HydrophobicContact CG2-CG2 4.47Å; V78-V80 HydrophobicContact CG1-CG2 4.22Å; V78-K95 CarbonylContact O-C 3.49Å; V78-K95 VanDerWaalsContact O-CA 3.29Å; V78-K95 WeakPolarHBondContact O-CA 3.2Å; V78-F96 PolarHBondContact N-O 3.38Å; V78-F96 PolarHBondContact O-N 3.06Å
79	K	95.5	Very high	89.8	Confident	131 Å²	131	88.5 Å²	88.5	57%	0.57	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	121.4	175.1	-178.4	-176.6	-179.1	-168.4	0	108.1	K95	K79-K95 HydrophobicContact CB-CG 4.21Å; K79-K95 HydrophobicContact CG-CG 3.95Å
80	V	93	Very high	89.4	Confident	23 Å²	23	84.2 Å²	84.2	14%	0.139	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.5	-179.6	-179.7	0	0	0	0	109.1	W49 V78 N82 H93 F94	W49-V80 HydrophobicContact CH2-CG2 3.53Å; W49-V80 HydrophobicContact CZ2-CG2 3.87Å; W49-V80 HydrophobicContact CZ3-CG2 4.16Å; V78-V80 HydrophobicContact CG1-CG2 4.22Å; V80-N82 WeakPolarHBondContact CG1-OD1 3.39Å; V80-H93 WeakPolarHBondContact O-CA 3.37Å; V80-F94 HydrophobicContact CB-CD1 4.11Å; V80-F94 HydrophobicContact CB-CD2 4.15Å; V80-F94 HydrophobicContact CB-CE1 3.65Å; V80-F94 HydrophobicContact CB-CE2 3.7Å; V80-F94 HydrophobicContact CB-CG 4.35Å; V80-F94 HydrophobicContact CB-CZ 3.44Å; V80-F94 VanDerWaalsContact CB-CZ 3.44Å; V80-F94 HydrophobicContact CG1-CD1 4.4Å; V80-F94 HydrophobicContact CG1-CE1 3.65Å; V80-F94 HydrophobicContact CG1-CE2 4.45Å; V80-F94 HydrophobicContact CG1-CZ 3.69Å; V80-F94 HydrophobicContact CG2-CD2 4.29Å; V80-F94 HydrophobicContact CG2-CE1 4.24Å; V80-F94 HydrophobicContact CG2-CE2 3.52Å; V80-F94 HydrophobicContact CG2-CZ 3.49Å; V80-F94 VanDerWaalsContact CG2-CZ 3.49Å; V80-F94 PolarHBondContact N-O 3.01Å; V80-F94 PolarHBondContact O-N 3.35Å; V80-F94 VanDerWaalsContact O-N 3.11Å
81	N	89.1	Confident	89	Confident	88 Å²	88	79.5 Å²	79.5	47%	0.471	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	96.5	175.3	-55.6	-74	0	0	0	108.4	G92 H93	N81-G92 CarbonylContact C-O 3.57Å; N81-H93 PolarHBondContact OD1-ND1 3.47Å
82	N	85.9	Confident	88.5	Confident	29 Å²	29	79 Å²	79	16%	0.155	39%	0.393	C	S	.	.			trans	-91	116.8	-179.5	-67.1	-26.2	0	0	0	110	V80 G92	V80-N82 WeakPolarHBondContact CG1-OD1 3.39Å; N82-G92 PolarHBondContact N-O 3.47Å
83	H	84.4	Confident	88.2	Confident	165 Å²	165	82.6 Å²	82.6	76%	0.764	41%	0.41	S	S	*	.	S	Bend	trans	-100	111.1	171.1	-170.5	70.9	0	0	0	109.5	F85	H83-F85 PolarHBondContact O-N 2.96Å; H83-F85 VanDerWaalsContact O-N 3.16Å
84	L	76.5	Confident	88.1	Confident	132 Å²	132	75.3 Å²	75.3	69%	0.691	38%	0.378	S	S	*	.	S	Bend	trans	56	28.2	179	-57	174.4	0	0	0	114.9
85	F	77.5	Confident	88.1	Confident	141 Å²	141	77.1 Å²	77.1	62%	0.618	38%	0.38	S	S	*	.	S	Bend	trans	-129.8	137.3	-178.7	-179.5	-104.4	0	0	0	111.4	H83 K87	H83-F85 PolarHBondContact O-N 2.96Å; H83-F85 VanDerWaalsContact O-N 3.16Å; F85-K87 PolarHBondContact O-N 2.91Å
86	N	78.1	Confident	88.1	Confident	60 Å²	60	73.5 Å²	73.5	32%	0.321	36%	0.36	S	S	.	.	S	Bend	trans	49.7	27.7	173.6	-161.7	30	0	0	0	116.3	E88 N89 L90	N86-E88 PolarHBondContact O-N 3.46Å; N86-E88 VanDerWaalsContact O-N 3.12Å; N86-N89 PolarHBondContact O-N 3.06Å; N86-N89 WeakPolarHBondContact OD1-CB 3.49Å; N86-N89 PolarHBondContact OD1-ND2 3.46Å; N86-L90 PolarHBondContact O-N 3.5Å; N86-L90 VanDerWaalsContact O-N 3.17Å
87	K	75.1	Confident	88.2	Confident	137 Å²	137	72 Å²	72	60%	0.596	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.7	-177.5	-70.4	-170.8	172.1	-172.8	0	114	F85 N89	F85-K87 PolarHBondContact O-N 2.91Å; K87-N89 VanDerWaalsContact C-N 3.34Å
88	E	77.4	Confident	88.3	Confident	155 Å²	155	66.9 Å²	66.9	72%	0.724	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-21.1	-178.6	-59.1	-175.4	-170.7	0	0	113.3	N86	N86-E88 PolarHBondContact O-N 3.46Å; N86-E88 VanDerWaalsContact O-N 3.12Å
89	N	81.9	Confident	88.4	Confident	40 Å²	40	66.2 Å²	66.2	21%	0.214	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-38.7	-173.5	-57.2	-47.7	0	0	0	112.6	V36 R38 N86 K87	V36-N89 HydrophobicContact CG1-CB 4.13Å; V36-N89 VanDerWaalsContact CG1-CG 3.42Å; V36-N89 WeakPolarHBondContact CG1-OD1 3.24Å; R38-N89 HydrophobicContact CB-CB 4.48Å; N86-N89 PolarHBondContact O-N 3.06Å; N86-N89 WeakPolarHBondContact OD1-CB 3.49Å; N86-N89 PolarHBondContact OD1-ND2 3.46Å; K87-N89 VanDerWaalsContact C-N 3.34Å
90	L	87.6	Confident	88.5	Confident	10 Å²	10	60 Å²	60	5%	0.052	29%	0.293	C	S	.	.	S	Bend	trans	-125.4	150.3	-178.1	-69.6	172.2	0	0	0	111.6	F37 W49 N86 F94	F37-L90 HydrophobicContact CB-CD2 4.35Å; W49-L90 HydrophobicContact CB-CD1 4.27Å; W49-L90 HydrophobicContact CB-CD2 3.98Å; W49-L90 HydrophobicContact CG-CD1 3.86Å; W49-L90 HydrophobicContact CG-CD2 4.41Å; N86-L90 PolarHBondContact O-N 3.5Å; N86-L90 VanDerWaalsContact O-N 3.17Å; L90-F94 HydrophobicContact CB-CE1 4.15Å; L90-F94 HydrophobicContact CD1-CE1 4.38Å; L90-F94 HydrophobicContact CD1-CZ 4.3Å
91	P	87.8	Confident	88.7	Confident	20 Å²	20	59.3 Å²	59.3	13%	0.13	29%	0.289	C	S	.	.			trans	-56.5	152.1	172.1	-24.6	35.8	0	0	0	112.3	P42 V46 H93 F94 V191	P42-P91 HydrophobicContact CB-CG 3.93Å; V46-P91 HydrophobicContact CG2-CG 3.82Å; P91-H93 VanDerWaalsContact C-N 3.29Å; P91-H93 PolarHBondContact O-N 3.42Å; P91-F94 HydrophobicContact CB-CD1 4.29Å; P91-F94 WeakPolarHBondContact O-CD1 3.23Å; P91-V191 HydrophobicContact CB-CG1 3.76Å; P91-V191 HydrophobicContact CG-CG1 3.61Å; P91-V191 HydrophobicContact CG-CG2 4.35Å
92	G	87.6	Confident	89.2	Confident	21 Å²	21	56.3 Å²	56.3	22%	0.216	27%	0.272	C	S	.	.	S	Bend	trans	-63.7	-35.1	177.5	0	0	0	0	0	112.7	N81 N82	N81-G92 CarbonylContact C-O 3.57Å; N82-G92 PolarHBondContact N-O 3.47Å
93	H	91.8	Very high	89.8	Confident	104 Å²	104	55 Å²	55	48%	0.481	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	124.5	-179.5	-59.2	-78.1	0	0	0	110.2	V80 N81 P91	V80-H93 WeakPolarHBondContact O-CA 3.37Å; N81-H93 PolarHBondContact OD1-ND1 3.47Å; P91-H93 VanDerWaalsContact C-N 3.29Å; P91-H93 PolarHBondContact O-N 3.42Å
94	F	95.3	Very high	90.5	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.022	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	165	175.9	63.4	-94.2	0	0	0	112	V46 W49 V80 L90 P91 S190 V191	V46-F94 HydrophobicContact CB-CD2 4.25Å; V46-F94 HydrophobicContact CB-CG 4.45Å; V46-F94 HydrophobicContact CG1-CB 4.14Å; V46-F94 HydrophobicContact CG1-CD2 3.35Å; V46-F94 HydrophobicContact CG1-CE2 3.89Å; V46-F94 HydrophobicContact CG1-CG 3.91Å; V46-F94 HydrophobicContact CG2-CB 3.81Å; V46-F94 HydrophobicContact CG2-CD1 3.95Å; V46-F94 HydrophobicContact CG2-CD2 3.86Å; V46-F94 HydrophobicContact CG2-CE1 4.46Å; V46-F94 HydrophobicContact CG2-CE2 4.38Å; V46-F94 HydrophobicContact CG2-CG 3.61Å; W49-F94 HydrophobicContact CD2-CE2 4Å; W49-F94 AromaticContact CD2-CZ 3.96Å; W49-F94 HydrophobicContact CD2-CZ 3.96Å; W49-F94 AromaticContact CE3-CE2 3.46Å; W49-F94 HydrophobicContact CE3-CE2 3.46Å; W49-F94 VanDerWaalsContact CE3-CE2 3.46Å; W49-F94 AromaticContact CE3-CZ 3.92Å; W49-F94 HydrophobicContact CE3-CZ 3.92Å; W49-F94 HydrophobicContact CH2-CE2 4.1Å; W49-F94 HydrophobicContact CH2-CZ 4.42Å; W49-F94 HydrophobicContact CZ2-CZ 4.43Å; W49-F94 AromaticContact CZ3-CE2 3.55Å; W49-F94 HydrophobicContact CZ3-CE2 3.55Å; W49-F94 HydrophobicContact CZ3-CZ 4.18Å; V80-F94 HydrophobicContact CB-CD1 4.11Å; V80-F94 HydrophobicContact CB-CD2 4.15Å; V80-F94 HydrophobicContact CB-CE1 3.65Å; V80-F94 HydrophobicContact CB-CE2 3.7Å; V80-F94 HydrophobicContact CB-CG 4.35Å; V80-F94 HydrophobicContact CB-CZ 3.44Å; V80-F94 VanDerWaalsContact CB-CZ 3.44Å; V80-F94 HydrophobicContact CG1-CD1 4.4Å; V80-F94 HydrophobicContact CG1-CE1 3.65Å; V80-F94 HydrophobicContact CG1-CE2 4.45Å; V80-F94 HydrophobicContact CG1-CZ 3.69Å; V80-F94 HydrophobicContact CG2-CD2 4.29Å; V80-F94 HydrophobicContact CG2-CE1 4.24Å; V80-F94 HydrophobicContact CG2-CE2 3.52Å; V80-F94 HydrophobicContact CG2-CZ 3.49Å; V80-F94 VanDerWaalsContact CG2-CZ 3.49Å; V80-F94 PolarHBondContact N-O 3.01Å; V80-F94 PolarHBondContact O-N 3.35Å; V80-F94 VanDerWaalsContact O-N 3.11Å; L90-F94 HydrophobicContact CB-CE1 4.15Å; L90-F94 HydrophobicContact CD1-CE1 4.38Å; L90-F94 HydrophobicContact CD1-CZ 4.3Å; P91-F94 HydrophobicContact CB-CD1 4.29Å; P91-F94 WeakPolarHBondContact O-CD1 3.23Å; F94-S190 CarbonylContact C-O 3.52Å; F94-S190 WeakPolarHBondContact CA-O 3.16Å; F94-S190 VanDerWaalsContact CB-O 3.3Å; F94-S190 WeakPolarHBondContact CB-O 3.18Å; F94-V191 HydrophobicContact CB-CG2 4.2Å
95	K	97.1	Very high	91.5	Very high	74 Å²	74	41.7 Å²	41.7	32%	0.322	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.5	172.4	-58.5	165.4	-171.2	159.4	0	108.9	V78 K79 S190	V78-K95 CarbonylContact O-C 3.49Å; V78-K95 VanDerWaalsContact O-CA 3.29Å; V78-K95 WeakPolarHBondContact O-CA 3.2Å; K79-K95 HydrophobicContact CB-CG 4.21Å; K79-K95 HydrophobicContact CG-CG 3.95Å; K95-S190 PolarHBondContact N-O 2.92Å; K95-S190 PolarHBondContact O-N 3.14Å
96	F	98.1	Very high	92.5	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.013	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.1	170.3	-178.1	-99.5	0	0	0	108.2	W49 G50 K77 V78 E98 Y187 R188 V189	W49-F96 HydrophobicContact CZ3-CB 4.23Å; G50-F96 VanDerWaalsContact C-CE1 3.48Å; G50-F96 WeakPolarHBondContact O-CE1 3.41Å; K77-F96 CarbonylContact C-O 3.58Å; K77-F96 WeakPolarHBondContact CA-O 3.33Å; V78-F96 PolarHBondContact N-O 3.38Å; V78-F96 PolarHBondContact O-N 3.06Å; F96-E98 HydrophobicContact CE1-CB 4.25Å; F96-Y187 HydrophobicContact CE1-CD1 4.07Å; F96-Y187 HydrophobicContact CE1-CE1 4.48Å; F96-Y187 AromaticContact CE2-CD1 3.93Å; F96-Y187 HydrophobicContact CE2-CD1 3.93Å; F96-Y187 HydrophobicContact CE2-CG 4.23Å; F96-Y187 AromaticContact CZ-CD1 3.28Å; F96-Y187 HydrophobicContact CZ-CD1 3.28Å; F96-Y187 AromaticContact CZ-CE1 3.81Å; F96-Y187 HydrophobicContact CZ-CE1 3.81Å; F96-Y187 HydrophobicContact CZ-CG 4.02Å; F96-R188 CarbonylContact C-O 3.6Å; F96-V189 HydrophobicContact CD2-CG2 4.07Å; F96-V189 HydrophobicContact CE2-CG2 4.38Å
97	K	98.5	Very high	93.5	Very high	32 Å²	32	33.4 Å²	33.4	14%	0.139	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.2	174.4	179.2	-177.3	176.1	-177.3	0	109	N75 T76 K77 Y99 Y187 R188	N75-K97 HydrophobicContact CB-CG 4.41Å; N75-K97 VanDerWaalsContact CG-CE 3.41Å; N75-K97 VanDerWaalsContact OD1-CE 3.27Å; N75-K97 WeakPolarHBondContact OD1-CE 3.44Å; T76-K97 CarbonylContact O-C 3.58Å; T76-K97 VanDerWaalsContact O-CA 3.22Å; T76-K97 WeakPolarHBondContact O-CA 3.41Å; K77-K97 HydrophobicContact CB-CB 4.47Å; K77-K97 HydrophobicContact CB-CG 4.43Å; K77-K97 HydrophobicContact CG-CB 4.36Å; K97-Y99 HydrophobicContact CD-CE1 4.03Å; K97-Y99 HydrophobicContact CD-CE2 4.14Å; K97-Y99 VanDerWaalsContact CE-CE1 3.4Å; K97-Y99 HydrophobicContact CG-CE2 4.32Å; K97-Y187 CarbonylContact O-C 3.58Å; K97-Y187 VanDerWaalsContact O-CA 3.25Å; K97-Y187 WeakPolarHBondContact O-CA 3.4Å; K97-R188 HydrophobicContact CB-CB 4.24Å; K97-R188 PolarHBondContact N-O 3.48Å; K97-R188 PolarHBondContact O-N 2.85Å
98	E	98.6	Very high	94.6	Very high	3 Å²	3	26.9 Å²	26.9	1%	0.014	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.6	167.4	-178.4	174.3	-137.8	0	0	109.3	S54 N75 T76 F96 P101 Y187	S54-E98 WeakPolarHBondContact CB-OE2 3.5Å; S54-E98 PolarHBondContact OG-OE2 3.49Å; N75-E98 CarbonylContact C-O 3.57Å; N75-E98 WeakPolarHBondContact CA-O 3.42Å; N75-E98 VanDerWaalsContact CB-O 3.29Å; N75-E98 WeakPolarHBondContact CB-O 3.44Å; T76-E98 PolarHBondContact N-O 3.43Å; T76-E98 PolarHBondContact O-N 3.23Å; F96-E98 HydrophobicContact CE1-CB 4.25Å; E98-P101 HydrophobicContact CB-CG 4.44Å; E98-P101 HydrophobicContact CG-CB 4.31Å; E98-P101 HydrophobicContact CG-CG 3.96Å; E98-P101 WeakPolarHBondContact OE2-CB 3.31Å; E98-Y187 HydrophobicContact CB-CD1 4Å; E98-Y187 HydrophobicContact CB-CE1 4.06Å; E98-Y187 HydrophobicContact CG-CD1 4.01Å; E98-Y187 HydrophobicContact CG-CE1 3.66Å
99	Y	98.7	Very high	95.5	Very high	17 Å²	17	25.3 Å²	25.3	7%	0.067	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139.4	175.7	-64	-95.5	0	0	0	109.9	K97 F104 V157 H161 M186 R188	K97-Y99 HydrophobicContact CD-CE1 4.03Å; K97-Y99 HydrophobicContact CD-CE2 4.14Å; K97-Y99 VanDerWaalsContact CE-CE1 3.4Å; K97-Y99 HydrophobicContact CG-CE2 4.32Å; Y99-F104 WeakPolarHBondContact O-CD2 3.22Å; Y99-F104 WeakPolarHBondContact O-CE2 3.48Å; Y99-V157 HydrophobicContact CE1-CG1 4.11Å; Y99-H161 AromaticContact CD1-NE2 3.27Å; Y99-H161 VanDerWaalsContact CD1-NE2 3.27Å; Y99-H161 WeakPolarHBondContact CD1-NE2 3.24Å; Y99-H161 AromaticContact CE1-NE2 3.92Å; Y99-M186 HydrophobicContact CD1-CE 4.25Å; Y99-M186 HydrophobicContact CD2-CE 4.24Å; Y99-M186 HydrophobicContact CD2-CG 4.14Å; Y99-M186 WeakPolarHBondContact CD2-O 3.36Å; Y99-M186 HydrophobicContact CG-CE 3.78Å; Y99-M186 PolarHBondContact N-O 3.31Å; Y99-R188 HydrophobicContact CE2-CB 3.78Å
100	C	98.4	Very high	96.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	44.9	53.7	175.4	-49.6	0	0	0	0	115.3	F72 A74 Q102 V103 F104 H161 L164	F72-C100 PolarHBondContact O-SG 3.27Å; A74-C100 WeakPolarHBondContact O-CA 3.11Å; A74-C100 PolarHBondContact O-N 2.9Å; C100-Q102 VanDerWaalsContact C-N 3.29Å; C100-Q102 PolarHBondContact O-N 2.82Å; C100-Q102 VanDerWaalsContact O-N 3.15Å; C100-V103 HydrophobicContact CB-CB 3.92Å; C100-V103 HydrophobicContact CB-CG2 3.88Å; C100-V103 PolarHBondContact O-N 3.05Å; C100-F104 HydrophobicContact CB-CD2 4.1Å; C100-F104 HydrophobicContact CB-CE2 4.11Å; C100-F104 WeakPolarHBondContact O-CD2 3.3Å; C100-F104 PolarHBondContact O-N 3.01Å; C100-F104 VanDerWaalsContact O-N 3.11Å; C100-H161 PolarHBondContact SG-CE1 3.48Å; C100-L164 HydrophobicContact CB-CD2 3.82Å; C100-L164 VanDerWaalsContact SG-CD2 3.57Å
101	P	98.2	Very high	96.6	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.065	13%	0.132	C	C	.	.	H	α-helix	trans	-54.5	-41.8	-170.2	-23.9	32.1	0	0	0	113.9	L58 E98 R105	L58-P101 HydrophobicContact CD1-CB 4.28Å; L58-P101 HydrophobicContact CD2-CB 4.45Å; E98-P101 HydrophobicContact CB-CG 4.44Å; E98-P101 HydrophobicContact CG-CB 4.31Å; E98-P101 HydrophobicContact CG-CG 3.96Å; E98-P101 WeakPolarHBondContact OE2-CB 3.31Å; P101-R105 WeakPolarHBondContact O-CB 3.38Å; P101-R105 PolarHBondContact O-N 2.79Å
102	Q	98.1	Very high	97	Very high	25 Å²	25	30.1 Å²	30.1	12%	0.117	16%	0.158	C	C	.	.	H	α-helix	trans	-66.3	-38.6	179.6	-69.8	-60.4	-20.8	0	0	113.1	P64 L67 D71 C100 R105 N106	P64-Q102 VanDerWaalsContact CD-OE1 3.3Å; L67-Q102 HydrophobicContact CD2-CB 3.97Å; D71-Q102 HydrophobicContact CB-CB 4.25Å; C100-Q102 VanDerWaalsContact C-N 3.29Å; C100-Q102 PolarHBondContact O-N 2.82Å; C100-Q102 VanDerWaalsContact O-N 3.15Å; Q102-R105 VanDerWaalsContact OE1-NE 3.17Å; Q102-N106 PolarHBondContact O-N 2.85Å
103	V	98.6	Very high	97.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-48.2	178.9	-175.3	0	0	0	0	109.9	L67 D71 F72 C100 R105 N106 L107 L164	L67-V103 HydrophobicContact CD1-CB 4.37Å; L67-V103 HydrophobicContact CD1-CG1 4.3Å; L67-V103 HydrophobicContact CD1-CG2 4.23Å; D71-V103 HydrophobicContact CB-CG2 4Å; D71-V103 WeakPolarHBondContact O-CG2 3.34Å; F72-V103 HydrophobicContact CD1-CG1 4Å; F72-V103 HydrophobicContact CD1-CG2 3.79Å; F72-V103 HydrophobicContact CD2-CG2 4.21Å; F72-V103 HydrophobicContact CE1-CB 4.38Å; F72-V103 HydrophobicContact CE1-CG1 3.53Å; F72-V103 HydrophobicContact CE1-CG2 3.87Å; F72-V103 HydrophobicContact CE2-CG2 4.29Å; F72-V103 HydrophobicContact CG-CG2 3.96Å; F72-V103 HydrophobicContact CZ-CG1 4.15Å; F72-V103 HydrophobicContact CZ-CG2 4.13Å; C100-V103 HydrophobicContact CB-CB 3.92Å; C100-V103 HydrophobicContact CB-CG2 3.88Å; C100-V103 PolarHBondContact O-N 3.05Å; V103-R105 PolarHBondContact O-N 3.28Å; V103-N106 PolarHBondContact O-N 3.37Å; V103-L107 HydrophobicContact CG1-CD1 4.24Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 2.91Å; V103-L164 HydrophobicContact CB-CD2 4.48Å; V103-L164 HydrophobicContact CG1-CD1 4.15Å; V103-L164 HydrophobicContact CG1-CD2 4.09Å; V103-L164 HydrophobicContact CG1-CG 4.01Å
104	F	98.6	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.8	-30.6	179.1	-74.6	-68.7	0	0	0	113.3	Y99 C100 L107 R108 L164 F183 M186	Y99-F104 WeakPolarHBondContact O-CD2 3.22Å; Y99-F104 WeakPolarHBondContact O-CE2 3.48Å; C100-F104 HydrophobicContact CB-CD2 4.1Å; C100-F104 HydrophobicContact CB-CE2 4.11Å; C100-F104 WeakPolarHBondContact O-CD2 3.3Å; C100-F104 PolarHBondContact O-N 3.01Å; C100-F104 VanDerWaalsContact O-N 3.11Å; F104-L107 HydrophobicContact CD1-CD1 3.89Å; F104-L107 HydrophobicContact CE1-CD1 4.17Å; F104-L107 PolarHBondContact O-N 3.32Å; F104-R108 WeakPolarHBondContact O-CG 3.43Å; F104-R108 PolarHBondContact O-N 3.23Å; F104-R108 PolarHBondContact O-NE 2.94Å; F104-L164 HydrophobicContact CE1-CD1 4.36Å; F104-L164 HydrophobicContact CE2-CD2 4.44Å; F104-L164 HydrophobicContact CZ-CD1 4.11Å; F104-F183 HydrophobicContact CE1-CB 3.99Å; F104-M186 HydrophobicContact CE2-CB 3.69Å; F104-M186 HydrophobicContact CZ-CB 3.66Å
105	R	98.3	Very high	97.5	Very high	19 Å²	19	31.2 Å²	31.2	7%	0.072	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-48.5	167.5	178.5	167.3	67.5	166.7	8.9	112	L58 V61 P62 P64 P101 Q102 V103 L107 R108 E109	L58-R105 HydrophobicContact CD2-CB 3.81Å; L58-R105 HydrophobicContact CD2-CG 4.26Å; L58-R105 PolarHBondContact O-NH1 3.39Å; V61-R105 PolarHBondContact O-NH1 2.86Å; P62-R105 PolarHBondContact O-NH2 2.88Å; P64-R105 VanDerWaalsContact CD-NH2 3.3Å; P101-R105 WeakPolarHBondContact O-CB 3.38Å; P101-R105 PolarHBondContact O-N 2.79Å; Q102-R105 VanDerWaalsContact OE1-NE 3.17Å; V103-R105 PolarHBondContact O-N 3.28Å; R105-L107 VanDerWaalsContact C-N 3.32Å; R105-L107 PolarHBondContact O-N 2.92Å; R105-R108 PolarHBondContact O-N 2.68Å; R105-E109 PolarHBondContact O-N 3.43Å; R105-E109 VanDerWaalsContact O-N 3.09Å
106	N	98.3	Very high	97.3	Very high	26 Å²	26	31.6 Å²	31.6	14%	0.139	17%	0.165	C	C	.	.	H	α-helix	trans	-68.6	-31.3	178.4	-171.8	-114.8	0	0	0	112.7	L67 Q102 V103 E109 R110 H168	L67-N106 HydrophobicContact CD1-CB 4.16Å; Q102-N106 PolarHBondContact O-N 2.85Å; V103-N106 PolarHBondContact O-N 3.37Å; N106-E109 PolarHBondContact ND2-OE2 3.43Å; N106-R110 VanDerWaalsContact O-CG 3.27Å; N106-R110 WeakPolarHBondContact O-CG 3.38Å; N106-R110 PolarHBondContact O-N 2.96Å; N106-R110 PolarHBondContact OD1-NE 3.44Å; N106-H168 PolarHBondContact OD1-NE2 3.21Å
107	L	98.6	Very high	97	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-45.5	171.9	-74.7	169.9	0	0	0	111.6	V103 F104 R105 E109 R110 F111 L164 Y167 I171	V103-L107 HydrophobicContact CG1-CD1 4.24Å; V103-L107 WeakPolarHBondContact O-CG 3.49Å; V103-L107 PolarHBondContact O-N 2.91Å; F104-L107 HydrophobicContact CD1-CD1 3.89Å; F104-L107 HydrophobicContact CE1-CD1 4.17Å; F104-L107 PolarHBondContact O-N 3.32Å; R105-L107 VanDerWaalsContact C-N 3.32Å; R105-L107 PolarHBondContact O-N 2.92Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 3.45Å; L107-R110 PolarHBondContact O-N 3.37Å; L107-R110 VanDerWaalsContact O-N 3.14Å; L107-F111 HydrophobicContact CB-CD2 4.42Å; L107-F111 HydrophobicContact CB-CE2 4.16Å; L107-F111 HydrophobicContact CD2-CE2 4.21Å; L107-F111 HydrophobicContact CD2-CZ 4.5Å; L107-F111 WeakPolarHBondContact O-CD2 3.1Å; L107-F111 WeakPolarHBondContact O-CG 3.44Å; L107-F111 PolarHBondContact O-N 3.28Å; L107-L164 HydrophobicContact CD1-CD1 4.26Å; L107-Y167 HydrophobicContact CD1-CD1 4.24Å; L107-Y167 HydrophobicContact CD1-CE1 3.92Å; L107-Y167 HydrophobicContact CD2-CD1 4.19Å; L107-Y167 HydrophobicContact CD2-CE1 3.77Å; L107-I171 HydrophobicContact CD2-CB 4.19Å; L107-I171 HydrophobicContact CD2-CG1 4.11Å; L107-I171 HydrophobicContact CD2-CG2 4.14Å
108	R	98.2	Very high	96.9	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-56.1	-47.4	175.5	-75.9	-178.2	-67.5	144	6.3	111.5	F104 R105 R110 F111 G112 I113 D115 Y118 L184	F104-R108 WeakPolarHBondContact O-CG 3.43Å; F104-R108 PolarHBondContact O-N 3.23Å; F104-R108 PolarHBondContact O-NE 2.94Å; R105-R108 PolarHBondContact O-N 2.68Å; R108-R110 PolarHBondContact O-N 2.99Å; R108-F111 CarbonylContact O-C 3.57Å; R108-F111 PolarHBondContact O-N 3.09Å; R108-F111 VanDerWaalsContact O-N 3.15Å; R108-G112 PolarHBondContact O-N 3.03Å; R108-I113 CarbonylContact C-O 3.51Å; R108-I113 HydrophobicContact CB-CB 4.38Å; R108-I113 PolarHBondContact O-N 2.98Å; R108-D115 IonicContact CZ-OD1 3.11Å; R108-D115 IonicContact CZ-OD2 2.92Å; R108-D115 IonicContact NE-OD1 2.7Å; R108-D115 IonicContact NH1-OD1 2.68Å; R108-D115 PolarHBondContact NH1-OD1 3.42Å; R108-D115 IonicContact NH1-OD2 3.25Å; R108-D115 PolarHBondContact NH1-OD2 2.72Å; R108-D115 IonicContact NH2-OD1 2.67Å; R108-D115 PolarHBondContact NH2-OD1 3.11Å; R108-D115 VanDerWaalsContact NH2-OD1 3.07Å; R108-D115 IonicContact NH2-OD2 3.91Å; R108-D115 PolarHBondContact NH2-OD2 3.04Å; R108-Y118 VanDerWaalsContact NH1-CD1 3.29Å; R108-L184 WeakPolarHBondContact CD-O 3.29Å; R108-L184 HydrophobicContact CG-CB 3.92Å; R108-L184 HydrophobicContact CG-CD2 4.03Å; R108-L184 HydrophobicContact CG-CG 4.49Å
109	E	96.3	Very high	96.8	Very high	121 Å²	121	31.1 Å²	31.1	57%	0.565	16%	0.164	S	C	*	.	H	α-helix	trans	-56.4	-47.2	173.9	-177.8	-174.1	-167.5	0	0	112.3	R105 N106 L107 F111 G112	R105-E109 PolarHBondContact O-N 3.43Å; R105-E109 VanDerWaalsContact O-N 3.09Å; N106-E109 PolarHBondContact ND2-OE2 3.43Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 3.45Å; E109-F111 PolarHBondContact O-N 3.4Å; E109-G112 PolarHBondContact O-N 3.3Å
110	R	96.8	Very high	96.5	Very high	90 Å²	90	31.1 Å²	31.1	34%	0.34	17%	0.165	S	C	.	.	H	α-helix	trans	-65.7	-24.4	179.1	-73.7	177.5	-174.6	-72.2	-5.8	114.1	N106 L107 R108 G112 I171	N106-R110 VanDerWaalsContact O-CG 3.27Å; N106-R110 WeakPolarHBondContact O-CG 3.38Å; N106-R110 PolarHBondContact O-N 2.96Å; N106-R110 PolarHBondContact OD1-NE 3.44Å; L107-R110 PolarHBondContact O-N 3.37Å; L107-R110 VanDerWaalsContact O-N 3.14Å; R108-R110 PolarHBondContact O-N 2.99Å; R110-G112 VanDerWaalsContact C-N 3.32Å; R110-I171 HydrophobicContact CB-CG2 4Å
111	F	97.3	Very high	96.3	Very high	14 Å²	14	31.1 Å²	31.1	6%	0.061	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	7.2	173.9	-63.4	-48.3	0	0	0	113.2	L107 R108 E109 I113 Y167 I171 T178 Q182 L184 R202	L107-F111 HydrophobicContact CB-CD2 4.42Å; L107-F111 HydrophobicContact CB-CE2 4.16Å; L107-F111 HydrophobicContact CD2-CE2 4.21Å; L107-F111 HydrophobicContact CD2-CZ 4.5Å; L107-F111 WeakPolarHBondContact O-CD2 3.1Å; L107-F111 WeakPolarHBondContact O-CG 3.44Å; L107-F111 PolarHBondContact O-N 3.28Å; R108-F111 CarbonylContact O-C 3.57Å; R108-F111 PolarHBondContact O-N 3.09Å; R108-F111 VanDerWaalsContact O-N 3.15Å; E109-F111 PolarHBondContact O-N 3.4Å; F111-I113 VanDerWaalsContact C-N 3.3Å; F111-I113 HydrophobicContact CB-CD1 4.49Å; F111-I113 HydrophobicContact CB-CG1 4.45Å; F111-I113 PolarHBondContact O-N 3.15Å; F111-Y167 WeakPolarHBondContact CZ-OH 3.47Å; F111-I171 HydrophobicContact CD1-CG2 4.48Å; F111-I171 HydrophobicContact CE1-CD1 3.9Å; F111-I171 HydrophobicContact CE1-CG1 4.26Å; F111-I171 HydrophobicContact CE1-CG2 3.7Å; F111-I171 HydrophobicContact CZ-CB 4.47Å; F111-I171 HydrophobicContact CZ-CD1 3.73Å; F111-I171 HydrophobicContact CZ-CG1 3.8Å; F111-I171 HydrophobicContact CZ-CG2 3.77Å; F111-T178 HydrophobicContact CE1-CG2 4.38Å; F111-Q182 HydrophobicContact CD1-CB 4.17Å; F111-Q182 VanDerWaalsContact CD1-CD 3.41Å; F111-Q182 HydrophobicContact CD1-CG 3.65Å; F111-Q182 HydrophobicContact CD2-CB 3.83Å; F111-Q182 HydrophobicContact CD2-CG 4.24Å; F111-Q182 HydrophobicContact CE1-CB 4.1Å; F111-Q182 HydrophobicContact CE1-CG 3.53Å; F111-Q182 HydrophobicContact CE2-CB 3.73Å; F111-Q182 HydrophobicContact CE2-CG 4.12Å; F111-Q182 HydrophobicContact CG-CB 4.05Å; F111-Q182 HydrophobicContact CG-CG 4.02Å; F111-Q182 HydrophobicContact CZ-CB 3.87Å; F111-Q182 HydrophobicContact CZ-CG 3.77Å; F111-L184 HydrophobicContact CD2-CD2 3.63Å; F111-L184 HydrophobicContact CE2-CD2 4.34Å; F111-L184 HydrophobicContact CG-CD2 4.47Å; F111-R202 PolarHBondContact O-NH2 3.42Å
112	G	95.4	Very high	96.1	Very high	67 Å²	67	30.6 Å²	30.6	69%	0.691	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	32.8	-179.7	0	0	0	0	0	112.9	R108 E109 R110	R108-G112 PolarHBondContact O-N 3.03Å; E109-G112 PolarHBondContact O-N 3.3Å; R110-G112 VanDerWaalsContact C-N 3.32Å
113	I	95.5	Very high	95.8	Very high	6 Å²	6	29.8 Å²	29.8	3%	0.031	16%	0.159	C	C	.	.			trans	-109.8	116.5	176.3	-60.7	178.9	0	0	0	108.2	R108 F111 Y118 L184 R202 I329	R108-I113 CarbonylContact C-O 3.51Å; R108-I113 HydrophobicContact CB-CB 4.38Å; R108-I113 PolarHBondContact O-N 2.98Å; F111-I113 VanDerWaalsContact C-N 3.3Å; F111-I113 HydrophobicContact CB-CD1 4.49Å; F111-I113 HydrophobicContact CB-CG1 4.45Å; F111-I113 PolarHBondContact O-N 3.15Å; I113-Y118 HydrophobicContact CG2-CD2 4.49Å; I113-L184 HydrophobicContact CD1-CD1 3.45Å; I113-L184 VanDerWaalsContact CD1-CD1 3.45Å; I113-L184 HydrophobicContact CD1-CD2 3.76Å; I113-L184 HydrophobicContact CD1-CG 4.25Å; I113-R202 VanDerWaalsContact CG1-NH2 3.3Å; I113-I329 HydrophobicContact CD1-CD1 4.35Å; I113-I329 HydrophobicContact CG1-CD1 4.5Å; I113-I329 HydrophobicContact CG2-CD1 3.87Å; I113-I329 HydrophobicContact CG2-CG1 4.36Å
114	E	94.1	Very high	95.4	Very high	109 Å²	109	36.2 Å²	36.2	51%	0.509	18%	0.183	S	C	.	.			trans	-72.8	144.8	174	-62.8	-170.1	-174.8	0	0	111.3	L116 D117 Y118	E114-L116 PolarHBondContact O-N 3.01Å; E114-D117 HydrophobicContact CB-CB 4.37Å; E114-D117 PolarHBondContact O-N 2.93Å; E114-Y118 WeakPolarHBondContact O-CB 3.27Å; E114-Y118 PolarHBondContact O-N 2.89Å
115	D	95.2	Very high	95	Very high	38 Å²	38	38.7 Å²	38.7	20%	0.203	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-36.2	-177.9	-88	26.5	0	0	0	112.4	I55 R108 Q119	I55-D115 HydrophobicContact CG2-CB 4.13Å; R108-D115 IonicContact CZ-OD1 3.11Å; R108-D115 IonicContact CZ-OD2 2.92Å; R108-D115 IonicContact NE-OD1 2.7Å; R108-D115 IonicContact NH1-OD1 2.68Å; R108-D115 PolarHBondContact NH1-OD1 3.42Å; R108-D115 IonicContact NH1-OD2 3.25Å; R108-D115 PolarHBondContact NH1-OD2 2.72Å; R108-D115 IonicContact NH2-OD1 2.67Å; R108-D115 PolarHBondContact NH2-OD1 3.11Å; R108-D115 VanDerWaalsContact NH2-OD1 3.07Å; R108-D115 IonicContact NH2-OD2 3.91Å; R108-D115 PolarHBondContact NH2-OD2 3.04Å; D115-Q119 WeakPolarHBondContact O-CB 3.49Å; D115-Q119 PolarHBondContact O-N 3.14Å
116	L	93.2	Very high	94.5	Very high	82 Å²	82	40.2 Å²	40.2	43%	0.429	21%	0.213	S	C	.	.	H	α-helix	trans	-70.3	-44.1	178.4	-175.2	60.4	0	0	0	111.4	E114 Y118 Q119 V120	E114-L116 PolarHBondContact O-N 3.01Å; L116-Y118 VanDerWaalsContact C-N 3.35Å; L116-Y118 PolarHBondContact O-N 2.91Å; L116-Q119 WeakPolarHBondContact O-CB 3.38Å; L116-Q119 PolarHBondContact O-N 3.3Å; L116-V120 HydrophobicContact CD1-CG2 4.46Å; L116-V120 WeakPolarHBondContact O-CG2 3.37Å; L116-V120 PolarHBondContact O-N 3.35Å
117	D	92.8	Very high	94.2	Very high	21 Å²	21	39.5 Å²	39.5	11%	0.112	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-44.3	177.4	-68.9	-21.6	0	0	0	110.9	E114 Q119 V120 S121 I329	E114-D117 HydrophobicContact CB-CB 4.37Å; E114-D117 PolarHBondContact O-N 2.93Å; D117-Q119 VanDerWaalsContact C-N 3.32Å; D117-Q119 PolarHBondContact O-N 3.41Å; D117-V120 PolarHBondContact O-N 2.96Å; D117-S121 WeakPolarHBondContact O-CB 3.25Å; D117-S121 PolarHBondContact O-N 3.25Å; D117-S121 PolarHBondContact O-OG 3.45Å; D117-S121 VanDerWaalsContact O-OG 3.1Å; D117-I329 HydrophobicContact CB-CG1 3.76Å
118	Y	96.6	Very high	93.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-54.7	-46.9	172.1	177.8	-100.1	0	0	0	112.2	V51 I55 R108 I113 E114 L116 L122 L147 L184 Y187 V200	V51-Y118 HydrophobicContact CG1-CE1 4.06Å; I55-Y118 HydrophobicContact CD1-CD1 4.01Å; I55-Y118 HydrophobicContact CD1-CE1 4.19Å; I55-Y118 HydrophobicContact CG1-CD1 4.16Å; I55-Y118 HydrophobicContact CG1-CE1 4.46Å; R108-Y118 VanDerWaalsContact NH1-CD1 3.29Å; I113-Y118 HydrophobicContact CG2-CD2 4.49Å; E114-Y118 WeakPolarHBondContact O-CB 3.27Å; E114-Y118 PolarHBondContact O-N 2.89Å; L116-Y118 VanDerWaalsContact C-N 3.35Å; L116-Y118 PolarHBondContact O-N 2.91Å; Y118-L122 HydrophobicContact CD1-CD1 4.18Å; Y118-L122 HydrophobicContact CD2-CD1 4.2Å; Y118-L122 HydrophobicContact CE1-CD1 3.6Å; Y118-L122 HydrophobicContact CE2-CD1 3.63Å; Y118-L122 HydrophobicContact CG-CD1 4.45Å; Y118-L122 PolarHBondContact O-N 3.23Å; Y118-L122 WeakPolarHBondContact OH-CD1 3.2Å; Y118-L147 HydrophobicContact CD2-CD1 3.7Å; Y118-L147 HydrophobicContact CE2-CD1 3.9Å; Y118-L184 HydrophobicContact CD2-CB 4.33Å; Y118-L184 HydrophobicContact CD2-CD1 4.28Å; Y118-L184 HydrophobicContact CE2-CB 3.71Å; Y118-L184 HydrophobicContact CE2-CD1 4.17Å; Y118-Y187 PolarHBondContact OH-OH 2.91Å; Y118-V200 HydrophobicContact CE2-CB 4.39Å; Y118-V200 HydrophobicContact CE2-CG1 3.72Å; Y118-V200 WeakPolarHBondContact OH-CB 3.24Å
119	Q	95.5	Very high	93	Very high	7 Å²	7	51 Å²	51	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-44.3	177.3	-169.7	-165.6	61.9	0	0	111.2	N52 I55 N56 D115 L116 D117 L122 T123	N52-Q119 PolarHBondContact O-NE2 3.15Å; I55-Q119 HydrophobicContact CB-CB 4.24Å; I55-Q119 HydrophobicContact CB-CG 4.21Å; I55-Q119 HydrophobicContact CG1-CB 4.22Å; I55-Q119 HydrophobicContact CG1-CG 4.43Å; I55-Q119 HydrophobicContact CG2-CB 4.03Å; I55-Q119 HydrophobicContact CG2-CG 4.37Å; N56-Q119 PolarHBondContact OD1-NE2 2.91Å; D115-Q119 WeakPolarHBondContact O-CB 3.49Å; D115-Q119 PolarHBondContact O-N 3.14Å; L116-Q119 WeakPolarHBondContact O-CB 3.38Å; L116-Q119 PolarHBondContact O-N 3.3Å; D117-Q119 VanDerWaalsContact C-N 3.32Å; D117-Q119 PolarHBondContact O-N 3.41Å; Q119-L122 PolarHBondContact O-N 3.44Å; Q119-T123 HydrophobicContact CG-CG2 4.16Å; Q119-T123 WeakPolarHBondContact O-CB 3.28Å; Q119-T123 WeakPolarHBondContact O-CG2 3.43Å; Q119-T123 PolarHBondContact O-N 2.97Å; Q119-T123 PolarHBondContact O-OG1 2.79Å
120	V	92.9	Very high	91.9	Very high	17 Å²	17	46 Å²	46	10%	0.103	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-51.1	-179.9	172.2	0	0	0	0	110	L116 D117 L122 T123 R124 Y143 G328	L116-V120 HydrophobicContact CD1-CG2 4.46Å; L116-V120 WeakPolarHBondContact O-CG2 3.37Å; L116-V120 PolarHBondContact O-N 3.35Å; D117-V120 PolarHBondContact O-N 2.96Å; V120-L122 PolarHBondContact O-N 2.75Å; V120-L122 VanDerWaalsContact O-N 3.16Å; V120-T123 PolarHBondContact O-N 2.81Å; V120-R124 HydrophobicContact CG1-CB 4.19Å; V120-R124 VanDerWaalsContact O-CB 3.3Å; V120-R124 WeakPolarHBondContact O-CB 3.42Å; V120-R124 PolarHBondContact O-N 3.13Å; V120-Y143 WeakPolarHBondContact O-CE1 3.43Å; V120-G328 VanDerWaalsContact CG1-CA 3.5Å
121	S	93.7	Very high	90.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-53.2	-36	178.8	-65.6	0	0	0	0	113.1	D117 S142 Y143 D144 I329	D117-S121 WeakPolarHBondContact O-CB 3.25Å; D117-S121 PolarHBondContact O-N 3.25Å; D117-S121 PolarHBondContact O-OG 3.45Å; D117-S121 VanDerWaalsContact O-OG 3.1Å; S121-S142 WeakPolarHBondContact O-CB 3.36Å; S121-Y143 WeakPolarHBondContact O-CD1 3.41Å; S121-Y143 WeakPolarHBondContact O-CE1 3.5Å; S121-D144 VanDerWaalsContact CB-OD2 3.31Å; S121-D144 WeakPolarHBondContact CB-OD2 3.36Å; S121-D144 PolarHBondContact OG-OD2 3.07Å; S121-I329 PolarHBondContact OG-N 3.05Å
122	L	94.5	Very high	88.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-90.9	-19.8	179.4	-66.6	174	0	0	0	114.8	F47 V51 Y118 Q119 V120 L147 I149 V200	F47-L122 HydrophobicContact CE1-CD2 4.3Å; F47-L122 HydrophobicContact CZ-CD1 4.3Å; F47-L122 HydrophobicContact CZ-CD2 4.32Å; V51-L122 HydrophobicContact CG1-CB 4.16Å; V51-L122 HydrophobicContact CG1-CD1 3.83Å; V51-L122 HydrophobicContact CG2-CD1 4.27Å; Y118-L122 HydrophobicContact CD1-CD1 4.18Å; Y118-L122 HydrophobicContact CD2-CD1 4.2Å; Y118-L122 HydrophobicContact CE1-CD1 3.6Å; Y118-L122 HydrophobicContact CE2-CD1 3.63Å; Y118-L122 HydrophobicContact CG-CD1 4.45Å; Y118-L122 PolarHBondContact O-N 3.23Å; Y118-L122 WeakPolarHBondContact OH-CD1 3.2Å; Q119-L122 PolarHBondContact O-N 3.44Å; V120-L122 PolarHBondContact O-N 2.75Å; V120-L122 VanDerWaalsContact O-N 3.16Å; L122-L147 HydrophobicContact CD1-CD1 4.3Å; L122-L147 HydrophobicContact CD2-CB 4.49Å; L122-L147 HydrophobicContact CD2-CD1 4Å; L122-L147 HydrophobicContact CG-CD1 3.9Å; L122-I149 HydrophobicContact CD2-CD1 3.76Å; L122-I149 HydrophobicContact CD2-CG1 3.95Å; L122-V200 HydrophobicContact CD1-CG1 4.24Å; L122-V200 HydrophobicContact CD1-CG2 4.41Å; L122-V200 HydrophobicContact CD2-CG1 4.36Å
123	T	92.6	Very high	86.4	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.043	25%	0.251	C	S	.	.	H	α-helix	trans	-122.8	-14.3	-165.8	74.7	0	0	0	0	116.4	I48 V51 N52 Q119 V120	I48-T123 HydrophobicContact CG2-CG2 3.82Å; V51-T123 HydrophobicContact CB-CG2 4.32Å; V51-T123 HydrophobicContact CG1-CG2 4.1Å; N52-T123 HydrophobicContact CB-CG2 3.96Å; Q119-T123 HydrophobicContact CG-CG2 4.16Å; Q119-T123 WeakPolarHBondContact O-CB 3.28Å; Q119-T123 WeakPolarHBondContact O-CG2 3.43Å; Q119-T123 PolarHBondContact O-N 2.97Å; Q119-T123 PolarHBondContact O-OG1 2.79Å; V120-T123 PolarHBondContact O-N 2.81Å
124	R	89.4	Confident	84.3	Confident	136 Å²	136	53 Å²	53	51%	0.513	28%	0.28	S	S	.	.	S	Bend	trans	-66.3	-42	178.4	-173.7	-178.3	-176.5	179.3	2.2	111.9	V120 Y143	V120-R124 HydrophobicContact CG1-CB 4.19Å; V120-R124 VanDerWaalsContact O-CB 3.3Å; V120-R124 WeakPolarHBondContact O-CB 3.42Å; V120-R124 PolarHBondContact O-N 3.13Å; R124-Y143 HydrophobicContact CB-CD1 4.15Å; R124-Y143 HydrophobicContact CB-CE1 3.56Å; R124-Y143 VanDerWaalsContact CD-OH 3.29Å; R124-Y143 WeakPolarHBondContact CD-OH 3.36Å; R124-Y143 HydrophobicContact CG-CE1 4.36Å
125	S	89.3	Confident	82.3	Confident	51 Å²	51	50 Å²	50	36%	0.357	28%	0.279	S	S	.	.	S	Bend	trans	-139	150.1	176.1	-67.1	0	0	0	0	109.3
126	P	88.8	Confident	80.3	Confident	52 Å²	52	58.1 Å²	58.1	34%	0.338	32%	0.316	S	S	.	.			trans	-58.7	135.7	179.2	-25	35.4	0	0	0	112.1	R38 A39 I48	R38-P126 WeakPolarHBondContact O-CG 3.34Å; A39-P126 HydrophobicContact CB-CB 4.04Å; A39-P126 HydrophobicContact CB-CG 4.42Å; I48-P126 HydrophobicContact CD1-CB 4.04Å; I48-P126 HydrophobicContact CD1-CG 4.41Å
127	P	91.3	Very high	79	Confident	11 Å²	11	57 Å²	57	7%	0.071	31%	0.314	C	S	.	.			trans	-56.3	142.1	169.8	-25.5	35.1	0	0	0	111.6	F47 L140 N141 I149	F47-P127 HydrophobicContact CE1-CG 4.38Å; P127-L140 HydrophobicContact CB-CB 3.84Å; P127-L140 HydrophobicContact CB-CD1 4.05Å; P127-N141 CarbonylContact C-O 3.54Å; P127-N141 WeakPolarHBondContact CA-O 3.46Å; P127-N141 WeakPolarHBondContact CB-O 3.36Å; P127-I149 HydrophobicContact CB-CD1 3.84Å; P127-I149 HydrophobicContact CG-CD1 3.99Å
128	V	88.1	Confident	78.3	Confident	95 Å²	95	56.6 Å²	56.6	58%	0.576	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	142	-174.8	-173.3	0	0	0	0	108.9	S130 L140 N141	V128-S130 PolarHBondContact O-N 3.04Å; V128-L140 CarbonylContact O-C 3.58Å; V128-L140 VanDerWaalsContact O-CA 3.3Å; V128-L140 WeakPolarHBondContact O-CA 3.44Å; V128-N141 PolarHBondContact N-O 3.28Å; V128-N141 PolarHBondContact O-N 3.13Å
129	R	83.9	Confident	78	Confident	148 Å²	148	58.7 Å²	58.7	56%	0.558	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.5	135.3	172.5	-80.2	-172.7	169.8	158.7	1.2	110.3	E41 A131 L138 L140	E41-R129 IonicContact OE1-CZ 3.75Å; E41-R129 VanDerWaalsContact OE1-CZ 3.29Å; E41-R129 IonicContact OE1-NH1 3.72Å; E41-R129 IonicContact OE1-NH2 3.47Å; E41-R129 PolarHBondContact OE1-NH2 2.86Å; E41-R129 IonicContact OE2-NH2 2.85Å; E41-R129 PolarHBondContact OE2-NH2 2.82Å; R129-A131 PolarHBondContact O-N 2.79Å; R129-L138 HydrophobicContact CG-CD1 4.45Å; R129-L140 HydrophobicContact CB-CD2 4.27Å; R129-L140 HydrophobicContact CG-CD2 3.54Å
130	S	73.7	Confident	77.8	Confident	16 Å²	16	58.7 Å²	58.7	11%	0.112	32%	0.323	C	S	.	.			trans	-63.5	131.4	174.1	-168.8	0	0	0	0	109.3	V128 D132 D133 L139	V128-S130 PolarHBondContact O-N 3.04Å; S130-D132 PolarHBondContact O-N 3.05Å; S130-D132 VanDerWaalsContact O-N 3.15Å; S130-D133 PolarHBondContact O-N 3.31Å; S130-L139 PolarHBondContact N-O 3.49Å
131	A	60.9	Low	77.8	Confident	100 Å²	100	59.2 Å²	59.2	83%	0.826	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.4	177.7	0	0	0	0	0	112.3	R129 D133	R129-A131 PolarHBondContact O-N 2.79Å; A131-D133 VanDerWaalsContact C-N 3.3Å; A131-D133 PolarHBondContact O-N 3.05Å
132	D	57.1	Low	77.8	Confident	47 Å²	47	59.3 Å²	59.3	25%	0.251	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.6	179.2	-71.3	-13.3	0	0	0	113.9	S130 K214	S130-D132 PolarHBondContact O-N 3.05Å; S130-D132 VanDerWaalsContact O-N 3.15Å; D132-K214 IonicContact OD1-NZ 3.05Å; D132-K214 IonicContact OD2-NZ 3.51Å; D132-K214 PolarHBondContact OD2-NZ 3.25Å
133	D	54.6	Low	77.6	Confident	39 Å²	39	62.2 Å²	62.2	21%	0.209	34%	0.338	C	S	.	.			trans	-97.2	99.9	-171.3	-169.8	28.7	0	0	0	112	S130 A131 G135 S137 L139	S130-D133 PolarHBondContact O-N 3.31Å; A131-D133 VanDerWaalsContact C-N 3.3Å; A131-D133 PolarHBondContact O-N 3.05Å; D133-G135 WeakPolarHBondContact OD1-CA 3.42Å; D133-G135 PolarHBondContact OD1-N 3.39Å; D133-S137 VanDerWaalsContact OD2-O 3.05Å; D133-L139 HydrophobicContact CB-CB 4.01Å; D133-L139 VanDerWaalsContact OD2-CB 3.25Å; D133-L139 WeakPolarHBondContact OD2-CB 3.27Å; D133-L139 PolarHBondContact OD2-N 2.63Å
134	Q	51.6	Low	77.5	Confident	137 Å²	137	62.7 Å²	62.7	64%	0.64	34%	0.34	S	S	*	.			trans	-105.9	14.9	160.3	-66.7	-176.9	19.3	0	0	111.2
135	G	52.5	Low	77.6	Confident	47 Å²	47	62.6 Å²	62.6	49%	0.485	34%	0.34	S	S	.	.	S	Bend	trans	-72.4	167	176.5	0	0	0	0	0	112.1	D133 S137	D133-G135 WeakPolarHBondContact OD1-CA 3.42Å; D133-G135 PolarHBondContact OD1-N 3.39Å; G135-S137 VanDerWaalsContact C-N 3.29Å
136	E	53.4	Low	77.8	Confident	208 Å²	208	60.5 Å²	60.5	97%	0.972	33%	0.325	S	S	*	.	S	Bend	trans	-74.6	-19.6	175.8	-66.1	-176.1	165	0	0	112.7
137	S	65.9	Low	78.1	Confident	57 Å²	57	58 Å²	58	40%	0.399	31%	0.308	S	S	.	.	S	Bend	trans	-98.2	124	-177.1	63.1	0	0	0	0	111.9	D133 G135 L139	D133-S137 VanDerWaalsContact OD2-O 3.05Å; G135-S137 VanDerWaalsContact C-N 3.29Å; S137-L139 PolarHBondContact O-N 2.85Å; S137-L139 VanDerWaalsContact O-N 3.11Å
138	L	78.8	Confident	78.3	Confident	13 Å²	13	58.1 Å²	58.1	7%	0.068	31%	0.309	C	S	.	.			trans	-55.9	111	-178	-168.7	75.1	0	0	0	112.9	V44 R129 L140 Q151	V44-L138 HydrophobicContact CG2-CD2 4.48Å; R129-L138 HydrophobicContact CG-CD1 4.45Å; L138-L140 HydrophobicContact CD1-CD2 3.81Å; L138-L140 HydrophobicContact CD1-CG 4.36Å; L138-L140 HydrophobicContact CD2-CD1 3.93Å; L138-L140 HydrophobicContact CD2-CD2 4.49Å; L138-L140 HydrophobicContact CD2-CG 4.21Å; L138-L140 HydrophobicContact CG-CD1 4.18Å; L138-L140 HydrophobicContact CG-CD2 3.91Å; L138-L140 HydrophobicContact CG-CG 3.9Å; L138-Q151 HydrophobicContact CB-CB 3.8Å; L138-Q151 PolarHBondContact O-N 3.46Å
139	L	88.6	Confident	78.7	Confident	45 Å²	45	53.6 Å²	53.6	24%	0.236	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	114	168	-167.8	71	0	0	0	110.7	S130 D133 S137 V148 K150	S130-L139 PolarHBondContact N-O 3.49Å; D133-L139 HydrophobicContact CB-CB 4.01Å; D133-L139 VanDerWaalsContact OD2-CB 3.25Å; D133-L139 WeakPolarHBondContact OD2-CB 3.27Å; D133-L139 PolarHBondContact OD2-N 2.63Å; S137-L139 PolarHBondContact O-N 2.85Å; S137-L139 VanDerWaalsContact O-N 3.11Å; L139-V148 HydrophobicContact CD1-CG1 3.47Å; L139-V148 VanDerWaalsContact CD1-CG1 3.47Å; L139-V148 HydrophobicContact CG-CG1 4.24Å; L139-K150 HydrophobicContact CD1-CB 3.87Å; L139-K150 HydrophobicContact CD1-CD 4.45Å; L139-K150 HydrophobicContact CD1-CG 4.07Å
140	L	92.1	Very high	79.2	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148	179.9	-48.7	175.5	0	0	0	110.9	V44 P127 V128 R129 L138 V148 I149	V44-L140 HydrophobicContact CG1-CD1 4.46Å; V44-L140 HydrophobicContact CG2-CD1 3.74Å; P127-L140 HydrophobicContact CB-CB 3.84Å; P127-L140 HydrophobicContact CB-CD1 4.05Å; V128-L140 CarbonylContact O-C 3.58Å; V128-L140 VanDerWaalsContact O-CA 3.3Å; V128-L140 WeakPolarHBondContact O-CA 3.44Å; R129-L140 HydrophobicContact CB-CD2 4.27Å; R129-L140 HydrophobicContact CG-CD2 3.54Å; L138-L140 HydrophobicContact CD1-CD2 3.81Å; L138-L140 HydrophobicContact CD1-CG 4.36Å; L138-L140 HydrophobicContact CD2-CD1 3.93Å; L138-L140 HydrophobicContact CD2-CD2 4.49Å; L138-L140 HydrophobicContact CD2-CG 4.21Å; L138-L140 HydrophobicContact CG-CD1 4.18Å; L138-L140 HydrophobicContact CG-CD2 3.91Å; L138-L140 HydrophobicContact CG-CG 3.9Å; L140-V148 CarbonylContact O-C 3.52Å; L140-V148 WeakPolarHBondContact O-CA 3.03Å; L140-I149 HydrophobicContact CB-CB 4.21Å; L140-I149 HydrophobicContact CB-CD1 4.11Å; L140-I149 PolarHBondContact N-O 2.64Å; L140-I149 PolarHBondContact O-N 3.03Å
141	N	92.9	Very high	80.2	Confident	29 Å²	29	51.8 Å²	51.8	16%	0.155	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	143.5	167.4	-64.4	-35.1	0	0	0	109.3	P127 V128 L147	P127-N141 CarbonylContact C-O 3.54Å; P127-N141 WeakPolarHBondContact CA-O 3.46Å; P127-N141 WeakPolarHBondContact CB-O 3.36Å; V128-N141 PolarHBondContact N-O 3.28Å; V128-N141 PolarHBondContact O-N 3.13Å; N141-L147 WeakPolarHBondContact CA-O 3.22Å
142	S	94.3	Very high	81.7	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.014	24%	0.241	C	C	.	.			trans	-57.1	158.6	165.7	58.3	0	0	0	0	110.6	S121 D144 R145 T146 L147	S121-S142 WeakPolarHBondContact O-CB 3.36Å; S142-D144 VanDerWaalsContact CB-OD1 3.26Å; S142-D144 WeakPolarHBondContact CB-OD1 3.36Å; S142-D144 PolarHBondContact O-N 3.4Å; S142-D144 PolarHBondContact OG-OD1 3.43Å; S142-R145 WeakPolarHBondContact O-CA 3.45Å; S142-R145 PolarHBondContact O-N 2.69Å; S142-R145 PolarHBondContact OG-N 3.02Å; S142-T146 PolarHBondContact OG-N 3.42Å; S142-L147 PolarHBondContact N-O 2.85Å; S142-L147 PolarHBondContact OG-N 3.28Å; S142-L147 PolarHBondContact OG-O 3.02Å
143	Y	89.6	Confident	83.5	Confident	61 Å²	61	47.6 Å²	47.6	24%	0.239	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.7	-177.1	80.1	-90.8	0	0	0	112.8	V120 S121 R124 R145 E327	V120-Y143 WeakPolarHBondContact O-CE1 3.43Å; S121-Y143 WeakPolarHBondContact O-CD1 3.41Å; S121-Y143 WeakPolarHBondContact O-CE1 3.5Å; R124-Y143 HydrophobicContact CB-CD1 4.15Å; R124-Y143 HydrophobicContact CB-CE1 3.56Å; R124-Y143 VanDerWaalsContact CD-OH 3.29Å; R124-Y143 WeakPolarHBondContact CD-OH 3.36Å; R124-Y143 HydrophobicContact CG-CE1 4.36Å; Y143-R145 VanDerWaalsContact C-N 3.29Å; Y143-E327 PolarHBondContact OH-O 2.82Å
144	D	89.8	Confident	85.3	Confident	17 Å²	17	48.4 Å²	48.4	9%	0.091	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	4	177.5	66.4	-8	0	0	0	112.4	S121 S142 T146 H207 A330	S121-D144 VanDerWaalsContact CB-OD2 3.31Å; S121-D144 WeakPolarHBondContact CB-OD2 3.36Å; S121-D144 PolarHBondContact OG-OD2 3.07Å; S142-D144 VanDerWaalsContact CB-OD1 3.26Å; S142-D144 WeakPolarHBondContact CB-OD1 3.36Å; S142-D144 PolarHBondContact O-N 3.4Å; S142-D144 PolarHBondContact OG-OD1 3.43Å; D144-T146 HydrophobicContact CB-CG2 4.36Å; D144-T146 PolarHBondContact O-N 3.27Å; D144-T146 PolarHBondContact OD1-N 2.73Å; D144-T146 PolarHBondContact OD1-OG1 3.15Å; D144-T146 PolarHBondContact OD2-OG1 3.02Å; D144-H207 WeakPolarHBondContact O-CB 3.44Å; D144-A330 HydrophobicContact CB-CB 4.21Å
145	R	91.8	Very high	87.2	Confident	133 Å²	133	47.6 Å²	47.6	50%	0.502	25%	0.249	S	C	.	.	S	Bend	trans	58.3	15.3	178.7	-55.3	-173.3	-68.6	-152.5	0.4	115.1	S142 Y143 N203 H207	S142-R145 WeakPolarHBondContact O-CA 3.45Å; S142-R145 PolarHBondContact O-N 2.69Å; S142-R145 PolarHBondContact OG-N 3.02Å; Y143-R145 VanDerWaalsContact C-N 3.29Å; R145-N203 WeakPolarHBondContact O-CB 3.41Å; R145-N203 PolarHBondContact O-ND2 3.45Å; R145-H207 HydrophobicContact CB-CB 4.17Å; R145-H207 PolarHBondContact NE-O 2.84Å; R145-H207 PolarHBondContact NH2-O 3.15Å
146	T	93.8	Very high	89.1	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.043	24%	0.237	C	C	.	.	S	Bend	trans	-84.7	-22.5	179.1	62.6	0	0	0	0	113.2	S142 D144 N203 H207 I329 A330 V348	S142-T146 PolarHBondContact OG-N 3.42Å; D144-T146 HydrophobicContact CB-CG2 4.36Å; D144-T146 PolarHBondContact O-N 3.27Å; D144-T146 PolarHBondContact OD1-N 2.73Å; D144-T146 PolarHBondContact OD1-OG1 3.15Å; D144-T146 PolarHBondContact OD2-OG1 3.02Å; T146-N203 WeakPolarHBondContact O-CB 3.41Å; T146-N203 PolarHBondContact O-N 2.85Å; T146-H207 HydrophobicContact CG2-CB 3.97Å; T146-I329 HydrophobicContact CG2-CB 4.14Å; T146-I329 HydrophobicContact CG2-CG2 4.15Å; T146-A330 HydrophobicContact CG2-CB 4.23Å; T146-V348 HydrophobicContact CG2-CG1 4.24Å
147	L	96.3	Very high	91.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150	-177	-55.9	-179.5	0	0	0	111.6	Y118 L122 N141 S142 L184 V200 M201 I329	Y118-L147 HydrophobicContact CD2-CD1 3.7Å; Y118-L147 HydrophobicContact CE2-CD1 3.9Å; L122-L147 HydrophobicContact CD1-CD1 4.3Å; L122-L147 HydrophobicContact CD2-CB 4.49Å; L122-L147 HydrophobicContact CD2-CD1 4Å; L122-L147 HydrophobicContact CG-CD1 3.9Å; N141-L147 WeakPolarHBondContact CA-O 3.22Å; S142-L147 PolarHBondContact N-O 2.85Å; S142-L147 PolarHBondContact OG-N 3.28Å; S142-L147 PolarHBondContact OG-O 3.02Å; L147-L184 HydrophobicContact CD2-CD1 3.37Å; L147-V200 HydrophobicContact CB-CG1 4.35Å; L147-V200 HydrophobicContact CD1-CG1 4.26Å; L147-M201 WeakPolarHBondContact CA-O 3.49Å; L147-I329 HydrophobicContact CD1-CD1 4.2Å; L147-I329 HydrophobicContact CD2-CD1 3.87Å; L147-I329 HydrophobicContact CG-CD1 4.07Å
148	V	95.6	Very high	92.5	Very high	13 Å²	13	37.7 Å²	37.7	8%	0.079	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.3	173.9	176.3	0	0	0	0	108.9	L139 L140 V200 M201 N203	L139-V148 HydrophobicContact CD1-CG1 3.47Å; L139-V148 VanDerWaalsContact CD1-CG1 3.47Å; L139-V148 HydrophobicContact CG-CG1 4.24Å; L140-V148 CarbonylContact O-C 3.52Å; L140-V148 WeakPolarHBondContact O-CA 3.03Å; V148-V200 WeakPolarHBondContact O-CA 3.29Å; V148-M201 HydrophobicContact CB-CE 4.41Å; V148-M201 HydrophobicContact CB-CG 4.19Å; V148-M201 HydrophobicContact CG1-CE 3.86Å; V148-M201 PolarHBondContact N-O 3.1Å; V148-M201 PolarHBondContact O-N 2.87Å; V148-N203 HydrophobicContact CG2-CB 3.86Å
149	I	96.4	Very high	93.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.5	171.9	-50	94.3	0	0	0	107.4	F47 L122 P127 L140 L198 I199 V200	F47-I149 HydrophobicContact CE1-CG1 3.97Å; F47-I149 HydrophobicContact CE1-CG2 4.32Å; F47-I149 HydrophobicContact CE2-CG2 4.47Å; F47-I149 HydrophobicContact CZ-CG1 3.94Å; F47-I149 HydrophobicContact CZ-CG2 4.06Å; L122-I149 HydrophobicContact CD2-CD1 3.76Å; L122-I149 HydrophobicContact CD2-CG1 3.95Å; P127-I149 HydrophobicContact CB-CD1 3.84Å; P127-I149 HydrophobicContact CG-CD1 3.99Å; L140-I149 HydrophobicContact CB-CB 4.21Å; L140-I149 HydrophobicContact CB-CD1 4.11Å; L140-I149 PolarHBondContact N-O 2.64Å; L140-I149 PolarHBondContact O-N 3.03Å; I149-L198 HydrophobicContact CG2-CB 4.13Å; I149-L198 HydrophobicContact CG2-CD1 4.5Å; I149-L198 HydrophobicContact CG2-CD2 4.26Å; I149-I199 WeakPolarHBondContact CA-O 3.23Å; I149-V200 HydrophobicContact CG1-CG2 4.01Å; I149-V200 HydrophobicContact CG2-CG2 4.29Å
150	K	93.8	Very high	93.4	Very high	61 Å²	61	36.8 Å²	36.8	27%	0.265	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.9	179.1	-176.5	173.2	-179.3	177.6	0	109.5	L139 I152 L198 I199 M201 D371	L139-K150 HydrophobicContact CD1-CB 3.87Å; L139-K150 HydrophobicContact CD1-CD 4.45Å; L139-K150 HydrophobicContact CD1-CG 4.07Å; K150-I152 HydrophobicContact CG-CG2 4.23Å; K150-L198 WeakPolarHBondContact O-CA 3.49Å; K150-I199 HydrophobicContact CB-CG2 4.04Å; K150-I199 PolarHBondContact N-O 3.27Å; K150-I199 PolarHBondContact O-N 3.49Å; K150-M201 HydrophobicContact CB-CE 3.92Å; K150-M201 HydrophobicContact CD-CE 4.05Å; K150-D371 IonicContact NZ-OD1 3.87Å; K150-D371 PolarHBondContact NZ-OD1 3.06Å
151	Q	94	Very high	93.6	Very high	64 Å²	64	39.3 Å²	39.3	30%	0.299	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.3	165.5	-179.6	174.2	-16.6	0	0	109.8	L138 Y197 L198	L138-Q151 HydrophobicContact CB-CB 3.8Å; L138-Q151 PolarHBondContact O-N 3.46Å; Q151-Y197 VanDerWaalsContact CA-O 3.31Å; Q151-Y197 WeakPolarHBondContact CA-O 3.37Å; Q151-L198 HydrophobicContact CB-CD2 4.01Å
152	I	93.5	Very high	93.6	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.082	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	164.2	-178.4	59.6	169.4	0	0	0	110.3	K150 D156 V157 M186 Y197 I199	K150-I152 HydrophobicContact CG-CG2 4.23Å; I152-D156 HydrophobicContact CB-CB 3.82Å; I152-D156 HydrophobicContact CD1-CB 4.12Å; I152-D156 HydrophobicContact CG1-CB 4.37Å; I152-V157 HydrophobicContact CD1-CG2 3.56Å; I152-V157 HydrophobicContact CG1-CG2 4.06Å; I152-M186 HydrophobicContact CD1-SD 4.46Å; I152-Y197 PolarHBondContact N-O 3.22Å; I152-Y197 WeakPolarHBondContact O-CB 3.04Å; I152-I199 HydrophobicContact CD1-CB 4.06Å; I152-I199 HydrophobicContact CD1-CG2 4.37Å; I152-I199 HydrophobicContact CG2-CG2 3.71Å
153	S	93.1	Very high	93.6	Very high	44 Å²	44	43 Å²	43	31%	0.308	22%	0.22	S	C	.	.			trans	-78	168.2	175.6	67.5	0	0	0	0	111.8	E155 D156 V157	S153-E155 WeakPolarHBondContact CB-OE2 3.25Å; S153-E155 PolarHBondContact O-N 3.2Å; S153-D156 WeakPolarHBondContact CB-OD2 3.33Å; S153-D156 PolarHBondContact N-OD2 3.21Å; S153-D156 PolarHBondContact O-N 2.93Å; S153-D156 PolarHBondContact OG-N 3.45Å; S153-D156 PolarHBondContact OG-OD2 3.04Å; S153-V157 PolarHBondContact O-N 3.35Å
154	S	93.5	Very high	94	Very high	55 Å²	55	40 Å²	40	39%	0.385	21%	0.208	S	C	.	.	H	α-helix	trans	-67.3	-28.8	173.5	65.7	0	0	0	0	112.3	V157 A158	S154-V157 PolarHBondContact O-N 3.21Å; S154-A158 PolarHBondContact O-N 3.22Å
155	E	91.6	Very high	94.4	Very high	121 Å²	121	41.1 Å²	41.1	57%	0.565	22%	0.217	S	C	*	.	H	α-helix	trans	-66.9	-46	174.5	-66.4	76.7	179.8	0	0	110.2	S153 V157 A158 D159	S153-E155 WeakPolarHBondContact CB-OE2 3.25Å; S153-E155 PolarHBondContact O-N 3.2Å; E155-V157 VanDerWaalsContact C-N 3.26Å; E155-V157 PolarHBondContact O-N 2.98Å; E155-A158 WeakPolarHBondContact O-CA 3.36Å; E155-A158 WeakPolarHBondContact O-CB 3.47Å; E155-A158 PolarHBondContact O-N 3.15Å; E155-D159 PolarHBondContact O-N 3.27Å
156	D	93.1	Very high	94.6	Very high	46 Å²	46	38 Å²	38	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-60.5	-35.4	175.3	-65.2	-47.5	0	0	0	112.1	I152 S153 D159 M160 L373	I152-D156 HydrophobicContact CB-CB 3.82Å; I152-D156 HydrophobicContact CD1-CB 4.12Å; I152-D156 HydrophobicContact CG1-CB 4.37Å; S153-D156 WeakPolarHBondContact CB-OD2 3.33Å; S153-D156 PolarHBondContact N-OD2 3.21Å; S153-D156 PolarHBondContact O-N 2.93Å; S153-D156 PolarHBondContact OG-N 3.45Å; S153-D156 PolarHBondContact OG-OD2 3.04Å; D156-D159 PolarHBondContact O-N 3.07Å; D156-M160 VanDerWaalsContact O-CB 3.31Å; D156-M160 WeakPolarHBondContact O-CB 3.27Å; D156-M160 PolarHBondContact O-N 2.77Å; D156-L373 HydrophobicContact CB-CD1 4.23Å
157	V	95.8	Very high	94.9	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.055	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-41.2	174.1	171.5	0	0	0	0	111	Y99 I152 S153 S154 E155 H161 M186 Y197	Y99-V157 HydrophobicContact CE1-CG1 4.11Å; I152-V157 HydrophobicContact CD1-CG2 3.56Å; I152-V157 HydrophobicContact CG1-CG2 4.06Å; S153-V157 PolarHBondContact O-N 3.35Å; S154-V157 PolarHBondContact O-N 3.21Å; E155-V157 VanDerWaalsContact C-N 3.26Å; E155-V157 PolarHBondContact O-N 2.98Å; V157-H161 PolarHBondContact O-CD2 3.28Å; V157-H161 VanDerWaalsContact O-CD2 3.28Å; V157-H161 PolarHBondContact O-N 3.35Å; V157-M186 HydrophobicContact CB-SD 4.34Å; V157-M186 HydrophobicContact CG1-CE 3.97Å; V157-M186 HydrophobicContact CG1-SD 4.04Å; V157-M186 HydrophobicContact CG2-SD 4.13Å; V157-Y197 HydrophobicContact CG2-CD1 3.72Å; V157-Y197 HydrophobicContact CG2-CG 4Å
158	A	93.6	Very high	95	Very high	48 Å²	48	38.8 Å²	38.8	40%	0.397	21%	0.211	S	C	.	.	H	α-helix	trans	-66	-43.5	175.6	0	0	0	0	0	111.2	S154 E155 M160 H161 N162	S154-A158 PolarHBondContact O-N 3.22Å; E155-A158 WeakPolarHBondContact O-CA 3.36Å; E155-A158 WeakPolarHBondContact O-CB 3.47Å; E155-A158 PolarHBondContact O-N 3.15Å; A158-M160 VanDerWaalsContact C-N 3.35Å; A158-M160 PolarHBondContact O-N 2.91Å; A158-H161 WeakPolarHBondContact O-CB 3.43Å; A158-H161 PolarHBondContact O-N 3.4Å; A158-N162 VanDerWaalsContact O-CG 3.23Å; A158-N162 PolarHBondContact O-N 2.81Å; A158-N162 PolarHBondContact O-ND2 3Å
159	D	91.9	Very high	95.1	Very high	39 Å²	39	42.5 Å²	42.5	21%	0.209	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-39	176.6	-74.5	-22.8	0	0	0	112	E155 D156 N162 I163	E155-D159 PolarHBondContact O-N 3.27Å; D156-D159 PolarHBondContact O-N 3.07Å; D159-N162 WeakPolarHBondContact O-CB 3.48Å; D159-N162 PolarHBondContact O-N 3.44Å; D159-I163 PolarHBondContact O-N 3.38Å
160	M	95.3	Very high	95.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.5	-48.3	171.6	178	53.9	78.1	0	0	111.2	D156 A158 N162 I163 L164 F183 M186 I199 L373	D156-M160 VanDerWaalsContact O-CB 3.31Å; D156-M160 WeakPolarHBondContact O-CB 3.27Å; D156-M160 PolarHBondContact O-N 2.77Å; A158-M160 VanDerWaalsContact C-N 3.35Å; A158-M160 PolarHBondContact O-N 2.91Å; M160-N162 PolarHBondContact O-N 3.46Å; M160-I163 WeakPolarHBondContact O-CG1 3.36Å; M160-I163 PolarHBondContact O-N 2.98Å; M160-I163 VanDerWaalsContact O-N 3.09Å; M160-I163 HydrophobicContact SD-CD1 4.36Å; M160-I163 HydrophobicContact SD-CG1 4.14Å; M160-L164 VanDerWaalsContact O-CB 3.31Å; M160-L164 WeakPolarHBondContact O-CB 3.49Å; M160-L164 PolarHBondContact O-N 3.39Å; M160-L164 HydrophobicContact SD-CD1 4.22Å; M160-F183 HydrophobicContact CE-CD1 3.85Å; M160-F183 HydrophobicContact CE-CD2 3.43Å; M160-F183 VanDerWaalsContact CE-CD2 3.43Å; M160-F183 HydrophobicContact CE-CE1 3.77Å; M160-F183 HydrophobicContact CE-CE2 3.36Å; M160-F183 HydrophobicContact CE-CG 3.68Å; M160-F183 HydrophobicContact CE-CZ 3.52Å; M160-F183 HydrophobicContact SD-CD2 4.32Å; M160-F183 HydrophobicContact SD-CE2 4.49Å; M160-M186 HydrophobicContact CB-SD 3.97Å; M160-M186 HydrophobicContact CG-CE 4.14Å; M160-M186 HydrophobicContact CG-SD 3.71Å; M160-I199 HydrophobicContact CE-CD1 3.46Å; M160-I199 VanDerWaalsContact CE-CD1 3.46Å; M160-L373 HydrophobicContact CB-CD2 4.45Å; M160-L373 HydrophobicContact CE-CD1 4.28Å; M160-L373 HydrophobicContact CE-CD2 3.7Å; M160-L373 HydrophobicContact SD-CD2 4.45Å
161	H	95.3	Very high	95.4	Very high	60 Å²	60	40.6 Å²	40.6	28%	0.278	22%	0.22	S	C	.	.	H	α-helix	trans	-58.9	-34.6	176	-88.1	-70.1	0	0	0	113	F72 Y99 C100 V157 A158 I163	F72-H161 PolarHBondContact O-ND1 3.17Å; Y99-H161 AromaticContact CD1-NE2 3.27Å; Y99-H161 VanDerWaalsContact CD1-NE2 3.27Å; Y99-H161 WeakPolarHBondContact CD1-NE2 3.24Å; Y99-H161 AromaticContact CE1-NE2 3.92Å; C100-H161 PolarHBondContact SG-CE1 3.48Å; V157-H161 PolarHBondContact O-CD2 3.28Å; V157-H161 VanDerWaalsContact O-CD2 3.28Å; V157-H161 PolarHBondContact O-N 3.35Å; A158-H161 WeakPolarHBondContact O-CB 3.43Å; A158-H161 PolarHBondContact O-N 3.4Å; H161-I163 VanDerWaalsContact C-N 3.28Å; H161-I163 PolarHBondContact O-N 2.76Å
162	N	92.7	Very high	95.5	Very high	100 Å²	100	40 Å²	40	54%	0.535	22%	0.22	S	C	.	.	H	α-helix	trans	-67.5	-27.3	177.8	-67.9	-28.7	0	0	0	113.1	A158 D159 M160	A158-N162 VanDerWaalsContact O-CG 3.23Å; A158-N162 PolarHBondContact O-N 2.81Å; A158-N162 PolarHBondContact O-ND2 3Å; D159-N162 WeakPolarHBondContact O-CB 3.48Å; D159-N162 PolarHBondContact O-N 3.44Å; M160-N162 PolarHBondContact O-N 3.46Å
163	I	95.1	Very high	95.7	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-107.2	-12.9	-177	69.7	166.6	0	0	0	113.8	D159 M160 H161 S165 E166 Y167 L274 I276 L373	D159-I163 PolarHBondContact O-N 3.38Å; M160-I163 WeakPolarHBondContact O-CG1 3.36Å; M160-I163 PolarHBondContact O-N 2.98Å; M160-I163 VanDerWaalsContact O-N 3.09Å; M160-I163 HydrophobicContact SD-CD1 4.36Å; M160-I163 HydrophobicContact SD-CG1 4.14Å; H161-I163 VanDerWaalsContact C-N 3.28Å; H161-I163 PolarHBondContact O-N 2.76Å; I163-S165 VanDerWaalsContact C-N 3.29Å; I163-S165 PolarHBondContact O-N 3.33Å; I163-E166 PolarHBondContact O-N 3.42Å; I163-Y167 VanDerWaalsContact O-CB 3.3Å; I163-Y167 WeakPolarHBondContact O-CB 3.4Å; I163-Y167 PolarHBondContact O-N 3.25Å; I163-L274 HydrophobicContact CB-CD1 3.87Å; I163-L274 HydrophobicContact CG2-CD1 3.88Å; I163-I276 HydrophobicContact CD1-CD1 4.45Å; I163-I276 HydrophobicContact CG2-CD1 4.37Å; I163-L373 HydrophobicContact CD1-CD2 3.58Å; I163-L373 HydrophobicContact CG1-CD2 4.48Å
164	L	97.5	Very high	95.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-36.7	-166.5	-175.4	62.9	0	0	0	113.2	F72 C100 V103 F104 L107 M160 H168	F72-L164 HydrophobicContact CD1-CB 4.32Å; F72-L164 HydrophobicContact CD1-CD2 4.08Å; F72-L164 HydrophobicContact CD1-CG 3.89Å; F72-L164 HydrophobicContact CE1-CG 4.25Å; C100-L164 HydrophobicContact CB-CD2 3.82Å; C100-L164 VanDerWaalsContact SG-CD2 3.57Å; V103-L164 HydrophobicContact CB-CD2 4.48Å; V103-L164 HydrophobicContact CG1-CD1 4.15Å; V103-L164 HydrophobicContact CG1-CD2 4.09Å; V103-L164 HydrophobicContact CG1-CG 4.01Å; F104-L164 HydrophobicContact CE1-CD1 4.36Å; F104-L164 HydrophobicContact CE2-CD2 4.44Å; F104-L164 HydrophobicContact CZ-CD1 4.11Å; L107-L164 HydrophobicContact CD1-CD1 4.26Å; M160-L164 VanDerWaalsContact O-CB 3.31Å; M160-L164 WeakPolarHBondContact O-CB 3.49Å; M160-L164 PolarHBondContact O-N 3.39Å; M160-L164 HydrophobicContact SD-CD1 4.22Å; L164-H168 WeakPolarHBondContact O-CB 3.48Å; L164-H168 PolarHBondContact O-N 3.05Å
165	S	97.8	Very high	96	Very high	40 Å²	40	50.6 Å²	50.6	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-49	177.5	175.4	0	0	0	0	111.4	F72 I163 H168 Q169	F72-S165 VanDerWaalsContact CE1-CA 3.49Å; I163-S165 VanDerWaalsContact C-N 3.29Å; I163-S165 PolarHBondContact O-N 3.33Å; S165-H168 PolarHBondContact O-N 2.79Å; S165-Q169 WeakPolarHBondContact O-CG 3.47Å; S165-Q169 PolarHBondContact O-N 3.01Å
166	E	97.7	Very high	96.1	Very high	68 Å²	68	45.3 Å²	45.3	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-67.7	-39.4	178.9	-69.3	79.2	178.9	0	0	111.5	I163 Q169 H170 F270 L274	I163-E166 PolarHBondContact O-N 3.42Å; E166-Q169 PolarHBondContact O-N 3.45Å; E166-H170 WeakPolarHBondContact O-CB 3.36Å; E166-H170 PolarHBondContact O-N 2.94Å; E166-F270 HydrophobicContact CB-CE2 4.06Å; E166-F270 WeakPolarHBondContact O-CE2 3.43Å; E166-L274 HydrophobicContact CB-CD1 4.46Å; E166-L274 HydrophobicContact CB-CD2 3.91Å; E166-L274 HydrophobicContact CG-CD2 3.95Å
167	Y	98.4	Very high	96.2	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-51.7	173.3	174.7	-98.5	0	0	0	110.6	L107 F111 I163 Q169 H170 I171 L180 P181 Q182 F183 F270	L107-Y167 HydrophobicContact CD1-CD1 4.24Å; L107-Y167 HydrophobicContact CD1-CE1 3.92Å; L107-Y167 HydrophobicContact CD2-CD1 4.19Å; L107-Y167 HydrophobicContact CD2-CE1 3.77Å; F111-Y167 WeakPolarHBondContact CZ-OH 3.47Å; I163-Y167 VanDerWaalsContact O-CB 3.3Å; I163-Y167 WeakPolarHBondContact O-CB 3.4Å; I163-Y167 PolarHBondContact O-N 3.25Å; Y167-Q169 VanDerWaalsContact C-N 3.31Å; Y167-Q169 PolarHBondContact O-N 3.44Å; Y167-H170 WeakPolarHBondContact O-CB 3.47Å; Y167-H170 PolarHBondContact O-N 3.25Å; Y167-I171 HydrophobicContact CD1-CG1 4.19Å; Y167-I171 HydrophobicContact CD2-CG1 4.43Å; Y167-I171 HydrophobicContact CE1-CD1 4.46Å; Y167-I171 HydrophobicContact CE1-CG1 3.8Å; Y167-I171 HydrophobicContact CE2-CD1 3.95Å; Y167-I171 HydrophobicContact CE2-CG1 4.08Å; Y167-I171 HydrophobicContact CG-CG1 4.49Å; Y167-I171 WeakPolarHBondContact O-CG1 3.36Å; Y167-I171 PolarHBondContact O-N 3.23Å; Y167-L180 HydrophobicContact CE2-CB 4.43Å; Y167-L180 HydrophobicContact CE2-CD1 4.4Å; Y167-P181 PolarHBondContact OH-O 3.13Å; Y167-Q182 WeakPolarHBondContact OH-CA 3.48Å; Y167-F183 HydrophobicContact CD1-CD2 4.39Å; Y167-F183 HydrophobicContact CD2-CD2 4.41Å; Y167-F183 HydrophobicContact CD2-CE2 4.48Å; Y167-F183 HydrophobicContact CE1-CB 4.41Å; Y167-F183 AromaticContact CE1-CD2 3.84Å; Y167-F183 HydrophobicContact CE1-CD2 3.84Å; Y167-F183 AromaticContact CE2-CD2 3.84Å; Y167-F183 HydrophobicContact CE2-CD2 3.84Å; Y167-F183 HydrophobicContact CE2-CE2 4.04Å; Y167-F183 AromaticContact CZ-CD2 3.53Å; Y167-F183 PolarHBondContact OH-N 2.65Å; Y167-F183 VanDerWaalsContact OH-N 3.13Å; Y167-F270 HydrophobicContact CD2-CE1 4.42Å; Y167-F270 HydrophobicContact CD2-CZ 4.4Å
168	H	98.5	Very high	96.3	Very high	19 Å²	19	45.8 Å²	45.8	9%	0.088	24%	0.243	C	C	.	.	H	α-helix	trans	-55.4	-46.5	176.6	175.5	-89.7	0	0	0	111.9	L67 F72 N106 L164 S165 H170 I171 V172	L67-H168 VanDerWaalsContact CD1-NE2 3.33Å; L67-H168 WeakPolarHBondContact CD1-NE2 3.46Å; F72-H168 HydrophobicContact CE1-CB 3.92Å; F72-H168 HydrophobicContact CZ-CB 4.12Å; N106-H168 PolarHBondContact OD1-NE2 3.21Å; L164-H168 WeakPolarHBondContact O-CB 3.48Å; L164-H168 PolarHBondContact O-N 3.05Å; S165-H168 PolarHBondContact O-N 2.79Å; H168-H170 VanDerWaalsContact C-N 3.31Å; H168-H170 PolarHBondContact O-N 3.19Å; H168-I171 PolarHBondContact O-N 3.1Å; H168-V172 VanDerWaalsContact CE1-CG2 3.44Å; H168-V172 WeakPolarHBondContact CE1-CG2 3.36Å; H168-V172 WeakPolarHBondContact O-CG2 3.45Å; H168-V172 PolarHBondContact O-N 2.98Å
169	Q	97.9	Very high	96.5	Very high	91 Å²	91	44 Å²	44	43%	0.425	23%	0.227	S	C	.	.	H	α-helix	trans	-61.2	-37.9	176.5	-71	175.8	20.8	0	0	113.1	S165 E166 Y167 V172 K173	S165-Q169 WeakPolarHBondContact O-CG 3.47Å; S165-Q169 PolarHBondContact O-N 3.01Å; E166-Q169 PolarHBondContact O-N 3.45Å; Y167-Q169 VanDerWaalsContact C-N 3.31Å; Y167-Q169 PolarHBondContact O-N 3.44Å; Q169-V172 PolarHBondContact O-N 2.91Å; Q169-K173 VanDerWaalsContact O-CG 3.3Å; Q169-K173 WeakPolarHBondContact O-CG 3.33Å; Q169-K173 PolarHBondContact O-N 3.41Å; Q169-K173 VanDerWaalsContact O-N 3.08Å
170	H	98.3	Very high	96.8	Very high	23 Å²	23	42.2 Å²	42.2	11%	0.106	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-47.9	174.8	-175.7	70.5	0	0	0	111	E166 Y167 H168 V172 K173 C174 D267 F270	E166-H170 WeakPolarHBondContact O-CB 3.36Å; E166-H170 PolarHBondContact O-N 2.94Å; Y167-H170 WeakPolarHBondContact O-CB 3.47Å; Y167-H170 PolarHBondContact O-N 3.25Å; H168-H170 VanDerWaalsContact C-N 3.31Å; H168-H170 PolarHBondContact O-N 3.19Å; H170-V172 VanDerWaalsContact C-N 3.31Å; H170-V172 PolarHBondContact O-N 3.02Å; H170-K173 PolarHBondContact O-N 2.84Å; H170-K173 VanDerWaalsContact O-N 3.1Å; H170-C174 PolarHBondContact O-N 2.89Å; H170-C174 PolarHBondContact O-SG 3.04Å; H170-D267 IonicContact CD2-OD1 3.66Å; H170-D267 IonicContact CE1-OD1 2.94Å; H170-D267 IonicContact NE2-OD1 2.97Å; H170-D267 PolarHBondContact NE2-OD1 2.7Å; H170-F270 HydrophobicContact CB-CD2 3.71Å; H170-F270 HydrophobicContact CB-CE2 3.75Å; H170-F270 HydrophobicContact CB-CG 4.24Å; H170-F270 HydrophobicContact CB-CZ 4.32Å; H170-F270 AromaticContact CG-CD2 3.78Å; H170-F270 AromaticContact CG-CG 3.84Å; H170-F270 AromaticContact ND1-CD2 3.94Å; H170-F270 AromaticContact ND1-CG 3.9Å
171	I	98.3	Very high	96.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.9	-39.8	176.8	-61	-48.6	0	0	0	111.9	L107 R110 F111 Y167 H168 H175 G176 T178	L107-I171 HydrophobicContact CD2-CB 4.19Å; L107-I171 HydrophobicContact CD2-CG1 4.11Å; L107-I171 HydrophobicContact CD2-CG2 4.14Å; R110-I171 HydrophobicContact CB-CG2 4Å; F111-I171 HydrophobicContact CD1-CG2 4.48Å; F111-I171 HydrophobicContact CE1-CD1 3.9Å; F111-I171 HydrophobicContact CE1-CG1 4.26Å; F111-I171 HydrophobicContact CE1-CG2 3.7Å; F111-I171 HydrophobicContact CZ-CB 4.47Å; F111-I171 HydrophobicContact CZ-CD1 3.73Å; F111-I171 HydrophobicContact CZ-CG1 3.8Å; F111-I171 HydrophobicContact CZ-CG2 3.77Å; Y167-I171 HydrophobicContact CD1-CG1 4.19Å; Y167-I171 HydrophobicContact CD2-CG1 4.43Å; Y167-I171 HydrophobicContact CE1-CD1 4.46Å; Y167-I171 HydrophobicContact CE1-CG1 3.8Å; Y167-I171 HydrophobicContact CE2-CD1 3.95Å; Y167-I171 HydrophobicContact CE2-CG1 4.08Å; Y167-I171 HydrophobicContact CG-CG1 4.49Å; Y167-I171 WeakPolarHBondContact O-CG1 3.36Å; Y167-I171 PolarHBondContact O-N 3.23Å; H168-I171 PolarHBondContact O-N 3.1Å; I171-H175 PolarHBondContact O-N 3Å; I171-G176 PolarHBondContact O-N 3.47Å; I171-T178 HydrophobicContact CD1-CG2 3.63Å
172	V	97.1	Very high	97.1	Very high	50 Å²	50	40 Å²	40	30%	0.303	21%	0.208	S	C	.	.	H	α-helix	trans	-60.6	-47	174.2	176.8	0	0	0	0	110.8	H168 Q169 H170 H175	H168-V172 VanDerWaalsContact CE1-CG2 3.44Å; H168-V172 WeakPolarHBondContact CE1-CG2 3.36Å; H168-V172 WeakPolarHBondContact O-CG2 3.45Å; H168-V172 PolarHBondContact O-N 2.98Å; Q169-V172 PolarHBondContact O-N 2.91Å; H170-V172 VanDerWaalsContact C-N 3.31Å; H170-V172 PolarHBondContact O-N 3.02Å; V172-H175 PolarHBondContact O-N 2.85Å
173	K	97.3	Very high	97.3	Very high	152 Å²	152	35.6 Å²	35.6	66%	0.661	18%	0.184	S	C	*	.	H	α-helix	trans	-68.6	-41	-177.4	-73.3	172.2	-177.6	177.3	0	112.7	Q169 H170 H175	Q169-K173 VanDerWaalsContact O-CG 3.3Å; Q169-K173 WeakPolarHBondContact O-CG 3.33Å; Q169-K173 PolarHBondContact O-N 3.41Å; Q169-K173 VanDerWaalsContact O-N 3.08Å; H170-K173 PolarHBondContact O-N 2.84Å; H170-K173 VanDerWaalsContact O-N 3.1Å; K173-H175 VanDerWaalsContact C-N 3.26Å; K173-H175 PolarHBondContact O-CE1 2.8Å; K173-H175 PolarHBondContact O-N 3.42Å; K173-H175 PolarHBondContact O-ND1 3.29Å
174	C	96.1	Very high	97.5	Very high	24 Å²	24	35.3 Å²	35.3	16%	0.162	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	3.3	178.1	72.9	0	0	0	0	113.5	H170 G176 S177	H170-C174 PolarHBondContact O-N 2.89Å; H170-C174 PolarHBondContact O-SG 3.04Å; C174-G176 VanDerWaalsContact C-N 3.25Å; C174-G176 PolarHBondContact O-N 3.24Å; C174-S177 WeakPolarHBondContact O-CB 3.46Å; C174-S177 PolarHBondContact O-N 3.5Å
175	H	95.9	Very high	97.6	Very high	163 Å²	163	35.3 Å²	35.3	76%	0.755	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	40.6	178.9	-56.4	59.7	0	0	0	112.2	I171 V172 K173 S177	I171-H175 PolarHBondContact O-N 3Å; V172-H175 PolarHBondContact O-N 2.85Å; K173-H175 VanDerWaalsContact C-N 3.26Å; K173-H175 PolarHBondContact O-CE1 2.8Å; K173-H175 PolarHBondContact O-N 3.42Å; K173-H175 PolarHBondContact O-ND1 3.29Å; H175-S177 PolarHBondContact O-N 3.45Å; H175-S177 VanDerWaalsContact O-N 3.14Å
176	G	94.3	Very high	97.6	Very high	10 Å²	10	33.4 Å²	33.4	10%	0.103	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-10	-177.2	0	0	0	0	0	115.5	I171 C174 T178	I171-G176 PolarHBondContact O-N 3.47Å; C174-G176 VanDerWaalsContact C-N 3.25Å; C174-G176 PolarHBondContact O-N 3.24Å; G176-T178 PolarHBondContact O-N 3.01Å; G176-T178 VanDerWaalsContact O-N 3.11Å
177	S	95.2	Very high	97.6	Very high	55 Å²	55	30.1 Å²	30.1	39%	0.385	15%	0.154	S	C	.	.			trans	-81.4	90.4	178.1	171.2	0	0	0	0	111.1	C174 H175 K263	C174-S177 WeakPolarHBondContact O-CB 3.46Å; C174-S177 PolarHBondContact O-N 3.5Å; H175-S177 PolarHBondContact O-N 3.45Å; H175-S177 VanDerWaalsContact O-N 3.14Å; S177-K263 VanDerWaalsContact OG-CE 3.25Å; S177-K263 WeakPolarHBondContact OG-CE 3.44Å
178	T	97.9	Very high	97.6	Very high	9 Å²	9	31.7 Å²	31.7	6%	0.055	16%	0.16	C	C	.	.			trans	-141.6	155.5	-179.7	-177.5	0	0	0	0	111	F111 I171 G176 L180 D267	F111-T178 HydrophobicContact CE1-CG2 4.38Å; I171-T178 HydrophobicContact CD1-CG2 3.63Å; G176-T178 PolarHBondContact O-N 3.01Å; G176-T178 VanDerWaalsContact O-N 3.11Å; T178-L180 HydrophobicContact CG2-CB 4.24Å; T178-L180 WeakPolarHBondContact OG1-CB 3.33Å; T178-L180 WeakPolarHBondContact OG1-CG 3.35Å; T178-L180 PolarHBondContact OG1-N 3.43Å; T178-D267 PolarHBondContact OG1-OD1 3.39Å; T178-D267 PolarHBondContact OG1-OD2 3.3Å
179	L	98.3	Very high	97.6	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.052	16%	0.156	C	C	.	.	S	Bend	trans	-88.7	-9.5	167.6	-61	178.8	0	0	0	112.2	F260 K263 L264 D267 G368 L369	L179-F260 HydrophobicContact CD1-CD2 4.02Å; L179-F260 HydrophobicContact CD1-CE1 4.33Å; L179-F260 HydrophobicContact CD1-CE2 3.51Å; L179-F260 HydrophobicContact CD1-CZ 3.69Å; L179-F260 HydrophobicContact CD2-CD2 4.11Å; L179-F260 HydrophobicContact CD2-CE2 3.78Å; L179-F260 HydrophobicContact CG-CE2 4.32Å; L179-K263 HydrophobicContact CD1-CB 4.37Å; L179-K263 HydrophobicContact CG-CB 4.15Å; L179-L264 HydrophobicContact CD1-CB 3.87Å; L179-L264 HydrophobicContact CD1-CD1 3.72Å; L179-L264 HydrophobicContact CD1-CG 4.44Å; L179-D267 WeakPolarHBondContact CA-OD2 3.4Å; L179-D267 WeakPolarHBondContact CB-OD2 3.21Å; L179-D267 PolarHBondContact N-OD2 2.93Å; L179-G368 CarbonylContact O-C 3.42Å; L179-G368 WeakPolarHBondContact O-CA 3.41Å; L179-L369 HydrophobicContact CB-CD1 4.35Å; L179-L369 HydrophobicContact CB-CG 4.18Å; L179-L369 PolarHBondContact O-N 3.45Å
180	L	98.3	Very high	97.5	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.138	C	C	.	.	S	Bend	trans	-62.5	157.5	175.4	-63.9	169.8	0	0	0	111.3	Y167 T178 Q182 D267 F270 L271 Y351 L369 V372	Y167-L180 HydrophobicContact CE2-CB 4.43Å; Y167-L180 HydrophobicContact CE2-CD1 4.4Å; T178-L180 HydrophobicContact CG2-CB 4.24Å; T178-L180 WeakPolarHBondContact OG1-CB 3.33Å; T178-L180 WeakPolarHBondContact OG1-CG 3.35Å; T178-L180 PolarHBondContact OG1-N 3.43Å; L180-Q182 PolarHBondContact O-N 2.94Å; L180-D267 HydrophobicContact CD1-CB 4.41Å; L180-D267 HydrophobicContact CD2-CB 4.29Å; L180-D267 HydrophobicContact CG-CB 4.01Å; L180-F270 HydrophobicContact CD1-CD1 3.64Å; L180-F270 HydrophobicContact CD1-CE1 3.8Å; L180-L271 HydrophobicContact CD2-CD1 4Å; L180-L271 HydrophobicContact CD2-CD2 3.88Å; L180-L271 HydrophobicContact CD2-CG 4.05Å; L180-Y351 PolarHBondContact O-OH 3.3Å; L180-L369 HydrophobicContact CD2-CB 4.36Å; L180-L369 HydrophobicContact CD2-CD1 3.79Å; L180-L369 HydrophobicContact CG-CD1 4.46Å; L180-V372 HydrophobicContact CD2-CG1 3.96Å
181	P	97.9	Very high	97.2	Very high	8 Å²	8	25.9 Å²	25.9	5%	0.052	13%	0.134	C	C	.	.			trans	-56.8	131.5	169.5	-22.7	34.5	0	0	0	110.1	Y167 F183 M201 L369 V372	Y167-P181 PolarHBondContact OH-O 3.13Å; P181-F183 HydrophobicContact CB-CD1 4.28Å; P181-F183 HydrophobicContact CB-CE1 3.71Å; P181-F183 HydrophobicContact CB-CE2 4.33Å; P181-F183 HydrophobicContact CB-CZ 3.74Å; P181-F183 HydrophobicContact CG-CE1 4.42Å; P181-F183 HydrophobicContact CG-CZ 4.11Å; P181-F183 PolarHBondContact O-N 2.84Å; P181-M201 HydrophobicContact CB-SD 4.11Å; P181-L369 VanDerWaalsContact CD-O 3.23Å; P181-L369 WeakPolarHBondContact CD-O 3.22Å; P181-L369 VanDerWaalsContact CG-O 3.29Å; P181-L369 WeakPolarHBondContact CG-O 3.36Å; P181-V372 HydrophobicContact CG-CG2 3.86Å
182	Q	98	Very high	96.7	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.033	16%	0.164	C	C	.	.			trans	-84.8	96	175.4	-67	-175.6	0.7	0	0	108.9	F111 Y167 L180 L184 M201 R202 Y351	F111-Q182 HydrophobicContact CD1-CB 4.17Å; F111-Q182 VanDerWaalsContact CD1-CD 3.41Å; F111-Q182 HydrophobicContact CD1-CG 3.65Å; F111-Q182 HydrophobicContact CD2-CB 3.83Å; F111-Q182 HydrophobicContact CD2-CG 4.24Å; F111-Q182 HydrophobicContact CE1-CB 4.1Å; F111-Q182 HydrophobicContact CE1-CG 3.53Å; F111-Q182 HydrophobicContact CE2-CB 3.73Å; F111-Q182 HydrophobicContact CE2-CG 4.12Å; F111-Q182 HydrophobicContact CG-CB 4.05Å; F111-Q182 HydrophobicContact CG-CG 4.02Å; F111-Q182 HydrophobicContact CZ-CB 3.87Å; F111-Q182 HydrophobicContact CZ-CG 3.77Å; Y167-Q182 WeakPolarHBondContact OH-CA 3.48Å; L180-Q182 PolarHBondContact O-N 2.94Å; Q182-L184 HydrophobicContact CB-CD2 4.46Å; Q182-L184 WeakPolarHBondContact O-CG 3.42Å; Q182-M201 WeakPolarHBondContact O-CA 3.28Å; Q182-M201 VanDerWaalsContact O-CB 3.28Å; Q182-M201 WeakPolarHBondContact O-CB 3.43Å; Q182-R202 HydrophobicContact CB-CB 4.01Å; Q182-R202 PolarHBondContact O-N 3.19Å; Q182-R202 VanDerWaalsContact O-N 3.14Å; Q182-R202 VanDerWaalsContact OE1-CD 3.29Å; Q182-Y351 WeakPolarHBondContact CG-OH 3.46Å
183	F	98.4	Very high	95.9	Very high	7 Å²	7	35.2 Å²	35.2	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.2	-178.8	-56.4	-62.7	0	0	0	111	F104 M160 Y167 P181 I199 M201 V372	F104-F183 HydrophobicContact CE1-CB 3.99Å; M160-F183 HydrophobicContact CE-CD1 3.85Å; M160-F183 HydrophobicContact CE-CD2 3.43Å; M160-F183 VanDerWaalsContact CE-CD2 3.43Å; M160-F183 HydrophobicContact CE-CE1 3.77Å; M160-F183 HydrophobicContact CE-CE2 3.36Å; M160-F183 HydrophobicContact CE-CG 3.68Å; M160-F183 HydrophobicContact CE-CZ 3.52Å; M160-F183 HydrophobicContact SD-CD2 4.32Å; M160-F183 HydrophobicContact SD-CE2 4.49Å; Y167-F183 HydrophobicContact CD1-CD2 4.39Å; Y167-F183 HydrophobicContact CD2-CD2 4.41Å; Y167-F183 HydrophobicContact CD2-CE2 4.48Å; Y167-F183 HydrophobicContact CE1-CB 4.41Å; Y167-F183 AromaticContact CE1-CD2 3.84Å; Y167-F183 HydrophobicContact CE1-CD2 3.84Å; Y167-F183 AromaticContact CE2-CD2 3.84Å; Y167-F183 HydrophobicContact CE2-CD2 3.84Å; Y167-F183 HydrophobicContact CE2-CE2 4.04Å; Y167-F183 AromaticContact CZ-CD2 3.53Å; Y167-F183 PolarHBondContact OH-N 2.65Å; Y167-F183 VanDerWaalsContact OH-N 3.13Å; P181-F183 HydrophobicContact CB-CD1 4.28Å; P181-F183 HydrophobicContact CB-CE1 3.71Å; P181-F183 HydrophobicContact CB-CE2 4.33Å; P181-F183 HydrophobicContact CB-CZ 3.74Å; P181-F183 HydrophobicContact CG-CE1 4.42Å; P181-F183 HydrophobicContact CG-CZ 4.11Å; P181-F183 PolarHBondContact O-N 2.84Å; F183-I199 HydrophobicContact CB-CD1 4.48Å; F183-I199 HydrophobicContact CD1-CD1 3.34Å; F183-I199 HydrophobicContact CD1-CG1 3.96Å; F183-I199 HydrophobicContact CE1-CD1 3.68Å; F183-I199 HydrophobicContact CG-CD1 4.04Å; F183-M201 HydrophobicContact CD1-CB 4.3Å; F183-M201 HydrophobicContact CE1-SD 4.35Å; F183-V372 HydrophobicContact CE2-CG2 4.3Å; F183-V372 HydrophobicContact CZ-CG2 3.92Å
184	L	98.6	Very high	95.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-17.5	-169.1	-53	179.9	0	0	0	113.6	R108 F111 I113 Y118 L147 Q182 V200	R108-L184 WeakPolarHBondContact CD-O 3.29Å; R108-L184 HydrophobicContact CG-CB 3.92Å; R108-L184 HydrophobicContact CG-CD2 4.03Å; R108-L184 HydrophobicContact CG-CG 4.49Å; F111-L184 HydrophobicContact CD2-CD2 3.63Å; F111-L184 HydrophobicContact CE2-CD2 4.34Å; F111-L184 HydrophobicContact CG-CD2 4.47Å; I113-L184 HydrophobicContact CD1-CD1 3.45Å; I113-L184 VanDerWaalsContact CD1-CD1 3.45Å; I113-L184 HydrophobicContact CD1-CD2 3.76Å; I113-L184 HydrophobicContact CD1-CG 4.25Å; Y118-L184 HydrophobicContact CD2-CB 4.33Å; Y118-L184 HydrophobicContact CD2-CD1 4.28Å; Y118-L184 HydrophobicContact CE2-CB 3.71Å; Y118-L184 HydrophobicContact CE2-CD1 4.17Å; L147-L184 HydrophobicContact CD2-CD1 3.37Å; Q182-L184 HydrophobicContact CB-CD2 4.46Å; Q182-L184 WeakPolarHBondContact O-CG 3.42Å; L184-V200 HydrophobicContact CB-CG1 4.49Å; L184-V200 PolarHBondContact N-O 2.95Å
185	G	98.5	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	149.5	177.6	0	0	0	0	0	111.4	V200	G185-V200 PolarHBondContact N-O 3.39Å; G185-V200 PolarHBondContact O-N 3.02Å
186	M	98.6	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129.3	176.5	-174.8	172	68.5	0	0	109.6	Y99 F104 I152 V157 M160 L198	Y99-M186 HydrophobicContact CD1-CE 4.25Å; Y99-M186 HydrophobicContact CD2-CE 4.24Å; Y99-M186 HydrophobicContact CD2-CG 4.14Å; Y99-M186 WeakPolarHBondContact CD2-O 3.36Å; Y99-M186 HydrophobicContact CG-CE 3.78Å; Y99-M186 PolarHBondContact N-O 3.31Å; F104-M186 HydrophobicContact CE2-CB 3.69Å; F104-M186 HydrophobicContact CZ-CB 3.66Å; I152-M186 HydrophobicContact CD1-SD 4.46Å; V157-M186 HydrophobicContact CB-SD 4.34Å; V157-M186 HydrophobicContact CG1-CE 3.97Å; V157-M186 HydrophobicContact CG1-SD 4.04Å; V157-M186 HydrophobicContact CG2-SD 4.13Å; M160-M186 HydrophobicContact CB-SD 3.97Å; M160-M186 HydrophobicContact CG-CE 4.14Å; M160-M186 HydrophobicContact CG-SD 3.71Å; M186-L198 WeakPolarHBondContact CA-O 3.4Å
187	Y	98.6	Very high	95.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154.2	-166.6	-51.8	-75.7	0	0	0	111.9	F47 V51 F96 K97 E98 Y118 Y197 L198 V200	F47-Y187 HydrophobicContact CD2-CD2 4.39Å; F47-Y187 AromaticContact CE2-CD2 3.68Å; F47-Y187 HydrophobicContact CE2-CD2 3.68Å; F47-Y187 HydrophobicContact CE2-CE2 4.04Å; F47-Y187 HydrophobicContact CE2-CG 4.31Å; V51-Y187 HydrophobicContact CG2-CE2 4.33Å; F96-Y187 HydrophobicContact CE1-CD1 4.07Å; F96-Y187 HydrophobicContact CE1-CE1 4.48Å; F96-Y187 AromaticContact CE2-CD1 3.93Å; F96-Y187 HydrophobicContact CE2-CD1 3.93Å; F96-Y187 HydrophobicContact CE2-CG 4.23Å; F96-Y187 AromaticContact CZ-CD1 3.28Å; F96-Y187 HydrophobicContact CZ-CD1 3.28Å; F96-Y187 AromaticContact CZ-CE1 3.81Å; F96-Y187 HydrophobicContact CZ-CE1 3.81Å; F96-Y187 HydrophobicContact CZ-CG 4.02Å; K97-Y187 CarbonylContact O-C 3.58Å; K97-Y187 VanDerWaalsContact O-CA 3.25Å; K97-Y187 WeakPolarHBondContact O-CA 3.4Å; E98-Y187 HydrophobicContact CB-CD1 4Å; E98-Y187 HydrophobicContact CB-CE1 4.06Å; E98-Y187 HydrophobicContact CG-CD1 4.01Å; E98-Y187 HydrophobicContact CG-CE1 3.66Å; Y118-Y187 PolarHBondContact OH-OH 2.91Å; Y187-Y197 WeakPolarHBondContact O-CA 3.33Å; Y187-L198 PolarHBondContact N-O 2.77Å; Y187-L198 PolarHBondContact O-N 3.18Å; Y187-V200 HydrophobicContact CD2-CG2 4.12Å; Y187-V200 HydrophobicContact CE2-CB 4.48Å; Y187-V200 HydrophobicContact CE2-CG2 3.7Å
188	R	98.3	Very high	95.7	Very high	36 Å²	36	28.7 Å²	28.7	14%	0.136	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.5	162.3	178.5	-175.7	69	174.4	-6.7	109.5	F96 K97 Y99 E195 A196 Y197	F96-R188 CarbonylContact C-O 3.6Å; K97-R188 HydrophobicContact CB-CB 4.24Å; K97-R188 PolarHBondContact N-O 3.48Å; K97-R188 PolarHBondContact O-N 2.85Å; Y99-R188 HydrophobicContact CE2-CB 3.78Å; R188-E195 IonicContact CZ-OE1 2.64Å; R188-E195 IonicContact NH1-OE1 3.53Å; R188-E195 PolarHBondContact NH1-OE1 3.43Å; R188-E195 IonicContact NH1-OE2 3.79Å; R188-E195 PolarHBondContact NH1-OE2 3.07Å; R188-A196 WeakPolarHBondContact CA-O 3.34Å; R188-Y197 HydrophobicContact CB-CD1 3.93Å; R188-Y197 HydrophobicContact CB-CE1 4.12Å; R188-Y197 VanDerWaalsContact CD-CE1 3.46Å; R188-Y197 HydrophobicContact CG-CD1 3.97Å; R188-Y197 HydrophobicContact CG-CE1 3.83Å
189	V	97.4	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.8	173.8	174.5	0	0	0	0	108.2	I43 V46 F47 F96 V191 E195 A196 L198	I43-V189 HydrophobicContact CB-CG1 4.43Å; I43-V189 HydrophobicContact CG2-CB 4.27Å; I43-V189 HydrophobicContact CG2-CG1 4.02Å; V46-V189 HydrophobicContact CB-CG1 3.78Å; V46-V189 HydrophobicContact CG1-CG1 3.61Å; F47-V189 HydrophobicContact CB-CG2 4.04Å; F96-V189 HydrophobicContact CD2-CG2 4.07Å; F96-V189 HydrophobicContact CE2-CG2 4.38Å; V189-V191 HydrophobicContact CG1-CG2 3.97Å; V189-E195 CarbonylContact O-C 3.55Å; V189-E195 WeakPolarHBondContact O-CA 3.47Å; V189-A196 PolarHBondContact N-O 2.94Å; V189-A196 PolarHBondContact O-N 2.81Å; V189-L198 HydrophobicContact CG2-CD1 4.05Å
190	S	96.1	Very high	95.7	Very high	7 Å²	7	27.9 Å²	27.9	5%	0.049	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.2	171.6	-38.9	0	0	0	0	110.8	F94 K95 E194	F94-S190 CarbonylContact C-O 3.52Å; F94-S190 WeakPolarHBondContact CA-O 3.16Å; F94-S190 VanDerWaalsContact CB-O 3.3Å; F94-S190 WeakPolarHBondContact CB-O 3.18Å; K95-S190 PolarHBondContact N-O 2.92Å; K95-S190 PolarHBondContact O-N 3.14Å; S190-E194 CarbonylContact C-O 3.58Å; S190-E194 WeakPolarHBondContact CA-O 3.26Å
191	V	93.3	Very high	95.7	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.9	177.6	-175.1	0	0	0	0	108.1	P42 I43 V46 P91 F94 V189 S193 E194	P42-V191 HydrophobicContact CB-CG1 3.87Å; I43-V191 HydrophobicContact CG1-CG2 4.41Å; V46-V191 HydrophobicContact CB-CG2 4.15Å; V46-V191 HydrophobicContact CG2-CG2 3.71Å; P91-V191 HydrophobicContact CB-CG1 3.76Å; P91-V191 HydrophobicContact CG-CG1 3.61Å; P91-V191 HydrophobicContact CG-CG2 4.35Å; F94-V191 HydrophobicContact CB-CG2 4.2Å; V189-V191 HydrophobicContact CG1-CG2 3.97Å; V191-S193 PolarHBondContact O-N 3.19Å; V191-E194 PolarHBondContact N-O 2.82Å; V191-E194 WeakPolarHBondContact O-CB 3.39Å; V191-E194 PolarHBondContact O-N 2.89Å
192	D	85.9	Confident	95.6	Very high	119 Å²	119	29.5 Å²	29.5	64%	0.636	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	31.6	175.7	-59.5	-33.8	0	0	0	115.6	E194	D192-E194 VanDerWaalsContact C-N 3.33Å
193	S	81.7	Confident	95.4	Very high	126 Å²	126	30.1 Å²	30.1	88%	0.881	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.8	0.8	-177.3	-39.9	0	0	0	0	116.2	V191	V191-S193 PolarHBondContact O-N 3.19Å
194	E	90.7	Very high	95.2	Very high	135 Å²	135	30.8 Å²	30.8	63%	0.631	16%	0.161	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.2	165	-62	-175.8	168.5	0	0	109.6	S190 V191 D192	S190-E194 CarbonylContact C-O 3.58Å; S190-E194 WeakPolarHBondContact CA-O 3.26Å; V191-E194 PolarHBondContact N-O 2.82Å; V191-E194 WeakPolarHBondContact O-CB 3.39Å; V191-E194 PolarHBondContact O-N 2.89Å; D192-E194 VanDerWaalsContact C-N 3.33Å
195	E	94.1	Very high	95	Very high	87 Å²	87	32.4 Å²	32.4	41%	0.407	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131	175.2	-59.3	-162	151.4	0	0	109.9	R188 V189 Y197	R188-E195 IonicContact CZ-OE1 2.64Å; R188-E195 IonicContact NH1-OE1 3.53Å; R188-E195 PolarHBondContact NH1-OE1 3.43Å; R188-E195 IonicContact NH1-OE2 3.79Å; R188-E195 PolarHBondContact NH1-OE2 3.07Å; V189-E195 CarbonylContact O-C 3.55Å; V189-E195 WeakPolarHBondContact O-CA 3.47Å; E195-Y197 HydrophobicContact CB-CE2 4.46Å; E195-Y197 PolarHBondContact OE2-OH 2.84Å
196	A	95.3	Very high	94.6	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.2	171.6	0	0	0	0	0	109.6	I43 R188 V189	I43-A196 HydrophobicContact CD1-CB 4.14Å; I43-A196 HydrophobicContact CG2-CB 3.86Å; R188-A196 WeakPolarHBondContact CA-O 3.34Å; V189-A196 PolarHBondContact N-O 2.94Å; V189-A196 PolarHBondContact O-N 2.81Å
197	Y	97	Very high	94.1	Very high	39 Å²	39	33.5 Å²	33.5	15%	0.153	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.4	174.1	-56.4	-93.5	0	0	0	108.2	Q151 I152 V157 Y187 R188 E195	Q151-Y197 VanDerWaalsContact CA-O 3.31Å; Q151-Y197 WeakPolarHBondContact CA-O 3.37Å; I152-Y197 PolarHBondContact N-O 3.22Å; I152-Y197 WeakPolarHBondContact O-CB 3.04Å; V157-Y197 HydrophobicContact CG2-CD1 3.72Å; V157-Y197 HydrophobicContact CG2-CG 4Å; Y187-Y197 WeakPolarHBondContact O-CA 3.33Å; R188-Y197 HydrophobicContact CB-CD1 3.93Å; R188-Y197 HydrophobicContact CB-CE1 4.12Å; R188-Y197 VanDerWaalsContact CD-CE1 3.46Å; R188-Y197 HydrophobicContact CG-CD1 3.97Å; R188-Y197 HydrophobicContact CG-CE1 3.83Å; E195-Y197 HydrophobicContact CB-CE2 4.46Å; E195-Y197 PolarHBondContact OE2-OH 2.84Å
198	L	97.6	Very high	93.6	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.2	-172.2	-59	173.1	0	0	0	109	F47 I149 K150 Q151 M186 Y187 V189	F47-L198 HydrophobicContact CB-CD1 3.94Å; F47-L198 HydrophobicContact CD2-CD1 3.5Å; F47-L198 HydrophobicContact CE2-CD1 4.18Å; F47-L198 HydrophobicContact CG-CD1 3.77Å; I149-L198 HydrophobicContact CG2-CB 4.13Å; I149-L198 HydrophobicContact CG2-CD1 4.5Å; I149-L198 HydrophobicContact CG2-CD2 4.26Å; K150-L198 WeakPolarHBondContact O-CA 3.49Å; Q151-L198 HydrophobicContact CB-CD2 4.01Å; M186-L198 WeakPolarHBondContact CA-O 3.4Å; Y187-L198 PolarHBondContact N-O 2.77Å; Y187-L198 PolarHBondContact O-N 3.18Å; V189-L198 HydrophobicContact CG2-CD1 4.05Å
199	I	97.8	Very high	93.3	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.4	168.8	-163.7	164.5	0	0	0	109.5	I149 K150 I152 M160 F183	I149-I199 WeakPolarHBondContact CA-O 3.23Å; K150-I199 HydrophobicContact CB-CG2 4.04Å; K150-I199 PolarHBondContact N-O 3.27Å; K150-I199 PolarHBondContact O-N 3.49Å; I152-I199 HydrophobicContact CD1-CB 4.06Å; I152-I199 HydrophobicContact CD1-CG2 4.37Å; I152-I199 HydrophobicContact CG2-CG2 3.71Å; M160-I199 HydrophobicContact CE-CD1 3.46Å; M160-I199 VanDerWaalsContact CE-CD1 3.46Å; F183-I199 HydrophobicContact CB-CD1 4.48Å; F183-I199 HydrophobicContact CD1-CD1 3.34Å; F183-I199 HydrophobicContact CD1-CG1 3.96Å; F183-I199 HydrophobicContact CE1-CD1 3.68Å; F183-I199 HydrophobicContact CG-CD1 4.04Å
200	V	98.4	Very high	93.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.2	176	-176	0	0	0	0	108.7	F47 Y118 L122 L147 V148 I149 L184 G185 Y187	F47-V200 HydrophobicContact CE2-CG2 4.06Å; F47-V200 HydrophobicContact CZ-CG2 3.73Å; Y118-V200 HydrophobicContact CE2-CB 4.39Å; Y118-V200 HydrophobicContact CE2-CG1 3.72Å; Y118-V200 WeakPolarHBondContact OH-CB 3.24Å; L122-V200 HydrophobicContact CD1-CG1 4.24Å; L122-V200 HydrophobicContact CD1-CG2 4.41Å; L122-V200 HydrophobicContact CD2-CG1 4.36Å; L147-V200 HydrophobicContact CB-CG1 4.35Å; L147-V200 HydrophobicContact CD1-CG1 4.26Å; V148-V200 WeakPolarHBondContact O-CA 3.29Å; I149-V200 HydrophobicContact CG1-CG2 4.01Å; I149-V200 HydrophobicContact CG2-CG2 4.29Å; L184-V200 HydrophobicContact CB-CG1 4.49Å; L184-V200 PolarHBondContact N-O 2.95Å; G185-V200 PolarHBondContact N-O 3.39Å; G185-V200 PolarHBondContact O-N 3.02Å; Y187-V200 HydrophobicContact CD2-CG2 4.12Å; Y187-V200 HydrophobicContact CE2-CB 4.48Å; Y187-V200 HydrophobicContact CE2-CG2 3.7Å
201	M	97.4	Very high	93	Very high	32 Å²	32	41.7 Å²	41.7	16%	0.158	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	160.3	177.9	56.4	-167.1	168.1	0	0	111.2	L147 V148 K150 P181 Q182 F183	L147-M201 WeakPolarHBondContact CA-O 3.49Å; V148-M201 HydrophobicContact CB-CE 4.41Å; V148-M201 HydrophobicContact CB-CG 4.19Å; V148-M201 HydrophobicContact CG1-CE 3.86Å; V148-M201 PolarHBondContact N-O 3.1Å; V148-M201 PolarHBondContact O-N 2.87Å; K150-M201 HydrophobicContact CB-CE 3.92Å; K150-M201 HydrophobicContact CD-CE 4.05Å; P181-M201 HydrophobicContact CB-SD 4.11Å; Q182-M201 WeakPolarHBondContact O-CA 3.28Å; Q182-M201 VanDerWaalsContact O-CB 3.28Å; Q182-M201 WeakPolarHBondContact O-CB 3.43Å; F183-M201 HydrophobicContact CD1-CB 4.3Å; F183-M201 HydrophobicContact CE1-SD 4.35Å
202	R	96.6	Very high	93.1	Very high	11 Å²	11	42.4 Å²	42.4	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	141	173.3	-169.7	-177.7	-79	-111.9	3.8	110	F111 I113 Q182 Y347 V348	F111-R202 PolarHBondContact O-NH2 3.42Å; I113-R202 VanDerWaalsContact CG1-NH2 3.3Å; Q182-R202 HydrophobicContact CB-CB 4.01Å; Q182-R202 PolarHBondContact O-N 3.19Å; Q182-R202 VanDerWaalsContact O-N 3.14Å; Q182-R202 VanDerWaalsContact OE1-CD 3.29Å; R202-Y347 PolarHBondContact NH1-O 2.98Å; R202-V348 PolarHBondContact NH1-O 3.28Å
203	N	94	Very high	93.6	Very high	21 Å²	21	39.3 Å²	39.3	11%	0.112	20%	0.198	C	C	.	.			trans	-66.7	134.5	171.2	-167.6	-3.9	0	0	0	109.9	R145 T146 V148 F205	R145-N203 WeakPolarHBondContact O-CB 3.41Å; R145-N203 PolarHBondContact O-ND2 3.45Å; T146-N203 WeakPolarHBondContact O-CB 3.41Å; T146-N203 PolarHBondContact O-N 2.85Å; V148-N203 HydrophobicContact CG2-CB 3.86Å; N203-F205 PolarHBondContact OD1-N 3.08Å; N203-F205 VanDerWaalsContact OD1-N 3.08Å
204	M	93.9	Very high	94.3	Very high	20 Å²	20	33.9 Å²	33.9	10%	0.099	16%	0.159	C	C	.	.	S	Bend	trans	-79.5	-28.8	179.1	-61.5	175.9	64.1	0	0	112	L282 Y351 G368 I370	M204-L282 HydrophobicContact CE-CB 3.9Å; M204-L282 HydrophobicContact CE-CD2 4.23Å; M204-L282 HydrophobicContact SD-CD2 3.98Å; M204-Y351 HydrophobicContact CB-CD2 4.18Å; M204-Y351 HydrophobicContact CB-CE2 4.41Å; M204-Y351 HydrophobicContact CG-CD2 4.31Å; M204-Y351 HydrophobicContact CG-CE2 4.06Å; M204-G368 VanDerWaalsContact CE-O 3.31Å; M204-G368 WeakPolarHBondContact CE-O 3.49Å; M204-I370 HydrophobicContact CE-CG2 3.79Å; M204-I370 HydrophobicContact SD-CG2 3.26Å; M204-I370 WeakPolarHBondContact SD-CG2 3.48Å
205	F	94.2	Very high	94.6	Very high	35 Å²	35	27.5 Å²	27.5	15%	0.154	13%	0.129	C	C	.	.	S	Bend	trans	-89.9	156.7	175.2	-56.7	-34.5	0	0	0	110.6	N203 V211 K214 L282 F366	N203-F205 PolarHBondContact OD1-N 3.08Å; N203-F205 VanDerWaalsContact OD1-N 3.08Å; F205-V211 HydrophobicContact CB-CG2 3.94Å; F205-V211 HydrophobicContact CD1-CG2 3.91Å; F205-V211 HydrophobicContact CD2-CG2 4.15Å; F205-V211 HydrophobicContact CE1-CG2 4.45Å; F205-V211 HydrophobicContact CG-CG2 3.74Å; F205-K214 HydrophobicContact CE2-CD 4.05Å; F205-K214 HydrophobicContact CZ-CD 3.98Å; F205-K214 HydrophobicContact CZ-CG 4.12Å; F205-L282 HydrophobicContact CE1-CD2 3.99Å; F205-L282 HydrophobicContact CE1-CG 4.06Å; F205-L282 HydrophobicContact CE2-CD2 4.24Å; F205-L282 HydrophobicContact CZ-CD1 4.12Å; F205-L282 HydrophobicContact CZ-CD2 3.56Å; F205-L282 HydrophobicContact CZ-CG 3.78Å; F205-F366 HydrophobicContact CD1-CB 3.75Å; F205-F366 HydrophobicContact CD1-CG 4.28Å; F205-F366 HydrophobicContact CE1-CB 4.33Å
206	S	91	Very high	94.7	Very high	10 Å²	10	24.5 Å²	24.5	7%	0.07	12%	0.115	C	C	.	.			trans	-62.7	144.9	177.4	-179.6	0	0	0	0	111.4	R208 L209 D349	S206-R208 PolarHBondContact O-N 2.82Å; S206-R208 PolarHBondContact OG-N 3.35Å; S206-L209 PolarHBondContact OG-N 3.47Å; S206-D349 WeakPolarHBondContact CA-OD1 3.49Å; S206-D349 VanDerWaalsContact CB-OD2 3.27Å; S206-D349 WeakPolarHBondContact CB-OD2 3.42Å; S206-D349 VanDerWaalsContact OG-CG 3.29Å; S206-D349 PolarHBondContact OG-OD1 3.49Å; S206-D349 PolarHBondContact OG-OD2 3.07Å
207	H	86.9	Confident	94.7	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.056	12%	0.115	C	C	.	.	S	Bend	trans	-70.1	-18.7	169.2	67.3	-68	0	0	0	113.1	D144 R145 T146 M333 V348 D349	D144-H207 WeakPolarHBondContact O-CB 3.44Å; R145-H207 HydrophobicContact CB-CB 4.17Å; R145-H207 PolarHBondContact NE-O 2.84Å; R145-H207 PolarHBondContact NH2-O 3.15Å; T146-H207 HydrophobicContact CG2-CB 3.97Å; H207-M333 PolarHBondContact NE2-SD 3.41Å; H207-V348 WeakPolarHBondContact ND1-CG1 3.4Å; H207-D349 IonicContact CE1-OD1 3.31Å; H207-D349 IonicContact ND1-OD1 3.01Å; H207-D349 PolarHBondContact ND1-OD1 3.38Å; H207-D349 IonicContact ND1-OD2 3.96Å
208	R	89.3	Confident	94.6	Very high	103 Å²	103	24.3 Å²	24.3	39%	0.389	12%	0.115	S	C	.	.	S	Bend	trans	-113.3	-48.7	-178.2	-75.1	176.4	72.9	-115.3	1.2	113.4	S206 V210 L339 E343	S206-R208 PolarHBondContact O-N 2.82Å; S206-R208 PolarHBondContact OG-N 3.35Å; R208-V210 PolarHBondContact O-N 3.26Å; R208-L339 VanDerWaalsContact NH1-CB 3.28Å; R208-L339 VanDerWaalsContact NH1-CD1 3.3Å; R208-L339 PolarHBondContact NH2-O 3.07Å; R208-E343 PolarHBondContact NH1-O 3.06Å
209	L	91.8	Very high	94.2	Very high	17 Å²	17	24.5 Å²	24.5	9%	0.089	12%	0.118	C	C	.	.	S	Bend	trans	-80.7	118.1	-172.3	-56.8	-176.8	0	0	0	111	S206 H286 F344 V364 F366	S206-L209 PolarHBondContact OG-N 3.47Å; L209-H286 HydrophobicContact CB-CB 4.32Å; L209-F344 HydrophobicContact CD1-CB 4.03Å; L209-F344 HydrophobicContact CD1-CD1 4.3Å; L209-V364 HydrophobicContact CD1-CB 4.26Å; L209-V364 HydrophobicContact CD1-CG1 4.22Å; L209-V364 HydrophobicContact CD1-CG2 4.06Å; L209-F366 HydrophobicContact CB-CE2 4.38Å; L209-F366 HydrophobicContact CB-CZ 4.04Å; L209-F366 HydrophobicContact CD1-CZ 4.12Å
210	V	91.9	Very high	93.5	Very high	80 Å²	80	25.2 Å²	25.2	49%	0.485	12%	0.123	S	C	.	.	P	Polyproline II helix	trans	-67.6	130.6	-179.1	179.4	0	0	0	0	110.9	R208 H212 H286	R208-V210 PolarHBondContact O-N 3.26Å; V210-H212 PolarHBondContact O-CE1 3.48Å; V210-H212 VanDerWaalsContact O-CE1 3.27Å; V210-H212 PolarHBondContact O-ND1 2.91Å; V210-H212 VanDerWaalsContact O-ND1 3.15Å; V210-H286 PolarHBondContact N-ND1 3.1Å; V210-H286 WeakPolarHBondContact O-CB 3.43Å; V210-H286 PolarHBondContact O-ND1 2.87Å
211	V	94.6	Very high	92.5	Very high	16 Å²	16	28.3 Å²	28.3	10%	0.097	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-84	123.6	174.1	176	0	0	0	0	109.1	F205 R213 K214 L235 F366	F205-V211 HydrophobicContact CB-CG2 3.94Å; F205-V211 HydrophobicContact CD1-CG2 3.91Å; F205-V211 HydrophobicContact CD2-CG2 4.15Å; F205-V211 HydrophobicContact CE1-CG2 4.45Å; F205-V211 HydrophobicContact CG-CG2 3.74Å; V211-R213 WeakPolarHBondContact CG1-O 3.41Å; V211-K214 HydrophobicContact CG1-CB 4.48Å; V211-L235 HydrophobicContact CB-CD2 4.45Å; V211-L235 HydrophobicContact CG1-CD2 4.36Å; V211-F366 HydrophobicContact CG2-CD2 4.18Å; V211-F366 HydrophobicContact CG2-CE2 4.48Å
212	H	95.4	Very high	91.5	Very high	18 Å²	18	30.7 Å²	30.7	8%	0.083	16%	0.155	C	C	.	.			trans	-103.1	-20.8	-178	-51.6	91.7	0	0	0	112.8	V210 L235 I285 H286 D287 E294	V210-H212 PolarHBondContact O-CE1 3.48Å; V210-H212 VanDerWaalsContact O-CE1 3.27Å; V210-H212 PolarHBondContact O-ND1 2.91Å; V210-H212 VanDerWaalsContact O-ND1 3.15Å; H212-L235 WeakPolarHBondContact O-CD1 3.5Å; H212-I285 PolarHBondContact N-O 3.27Å; H212-H286 AromaticContact CE1-CE1 3.89Å; H212-H286 AromaticContact CE1-ND1 3.42Å; H212-H286 PolarHBondContact CE1-ND1 3.02Å; H212-H286 AromaticContact ND1-ND1 3.89Å; H212-D287 PolarHBondContact CE1-O 3.2Å; H212-D287 PolarHBondContact ND1-N 3.36Å; H212-E294 IonicContact NE2-OE2 2.79Å
213	R	96.3	Very high	90.6	Very high	54 Å²	54	37 Å²	37	20%	0.204	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141	175.6	-72.8	171.4	-80.6	-176.3	-12.2	109.6	V211 Y215 G284 I285 D287 E363	V211-R213 WeakPolarHBondContact CG1-O 3.41Å; R213-Y215 HydrophobicContact CB-CE2 4.12Å; R213-G284 CarbonylContact O-C 3.5Å; R213-I285 HydrophobicContact CB-CB 4.17Å; R213-I285 HydrophobicContact CB-CD1 4.42Å; R213-I285 HydrophobicContact CB-CG1 4.43Å; R213-I285 PolarHBondContact N-O 3.31Å; R213-I285 PolarHBondContact O-N 2.92Å; R213-D287 IonicContact NH2-OD2 2.97Å; R213-E363 IonicContact CZ-OE1 2.72Å; R213-E363 IonicContact NH1-OE1 2.61Å; R213-E363 IonicContact NH2-OE1 2.83Å; R213-E363 PolarHBondContact NH2-OE1 3.35Å
214	K	96.4	Very high	90.3	Very high	12 Å²	12	37.2 Å²	37.2	5%	0.052	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	134	-175.9	-175.5	175.5	48.2	176.9	0	110.7	D132 F205 V211 T237 F238 L282 L283	D132-K214 IonicContact OD1-NZ 3.05Å; D132-K214 IonicContact OD2-NZ 3.51Å; D132-K214 PolarHBondContact OD2-NZ 3.25Å; F205-K214 HydrophobicContact CE2-CD 4.05Å; F205-K214 HydrophobicContact CZ-CD 3.98Å; F205-K214 HydrophobicContact CZ-CG 4.12Å; V211-K214 HydrophobicContact CG1-CB 4.48Å; K214-T237 HydrophobicContact CD-CG2 4.37Å; K214-T237 WeakPolarHBondContact CE-OG1 3.28Å; K214-T237 HydrophobicContact CG-CG2 4.24Å; K214-T237 PolarHBondContact NZ-OG1 2.83Å; K214-F238 PolarHBondContact O-N 3.01Å; K214-L282 HydrophobicContact CD-CD1 4.34Å; K214-L282 HydrophobicContact CG-CD1 4Å; K214-L283 CarbonylContact C-O 3.34Å; K214-L283 WeakPolarHBondContact CA-O 3.32Å
215	Y	96.9	Very high	90.2	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.008	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.5	179.2	-60.5	-93.8	0	0	0	111.2	R213 F238 F243 Q248 L283 I285	R213-Y215 HydrophobicContact CB-CE2 4.12Å; Y215-F238 CarbonylContact C-O 3.48Å; Y215-F238 VanDerWaalsContact CA-O 3.24Å; Y215-F238 WeakPolarHBondContact CA-O 3.47Å; Y215-F238 HydrophobicContact CD1-CB 3.32Å; Y215-F238 HydrophobicContact CD1-CG 4.36Å; Y215-F238 HydrophobicContact CE1-CB 3.47Å; Y215-F238 VanDerWaalsContact CE1-CB 3.47Å; Y215-F238 HydrophobicContact CE1-CD2 4.05Å; Y215-F238 HydrophobicContact CE1-CG 4.06Å; Y215-F238 HydrophobicContact CG-CB 4.15Å; Y215-F243 HydrophobicContact CD1-CB 3.8Å; Y215-F243 AromaticContact CD1-CD2 3.71Å; Y215-F243 HydrophobicContact CD1-CD2 3.71Å; Y215-F243 HydrophobicContact CD1-CG 4.27Å; Y215-F243 HydrophobicContact CD2-CD2 4.17Å; Y215-F243 HydrophobicContact CE1-CB 3.95Å; Y215-F243 AromaticContact CE1-CD2 3.91Å; Y215-F243 HydrophobicContact CE1-CD2 3.91Å; Y215-F243 HydrophobicContact CE1-CG 4.39Å; Y215-F243 HydrophobicContact CE2-CD2 4.33Å; Y215-F243 AromaticContact CG-CD2 3.87Å; Y215-F243 HydrophobicContact CG-CD2 3.87Å; Y215-Q248 HydrophobicContact CE2-CG 4.03Å; Y215-Q248 PolarHBondContact OH-OE1 3.1Å; Y215-L283 HydrophobicContact CD2-CD2 4.18Å; Y215-L283 HydrophobicContact CD2-CG 4.44Å; Y215-L283 PolarHBondContact N-O 3.27Å; Y215-L283 PolarHBondContact O-N 3.49Å; Y215-I285 HydrophobicContact CD2-CD1 4.36Å; Y215-I285 HydrophobicContact CE2-CD1 3.95Å
216	D	96.1	Very high	90	Very high	23 Å²	23	40.8 Å²	40.8	12%	0.123	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.5	165.7	174.1	-69.1	0	0	0	107.7	R224 T237 F238 K239 S280	D216-R224 PolarHBondContact O-NH2 2.87Å; D216-R224 IonicContact OD1-CZ 3.56Å; D216-R224 VanDerWaalsContact OD1-CZ 3.25Å; D216-R224 IonicContact OD1-NH1 3.51Å; D216-R224 PolarHBondContact OD1-NH1 3.28Å; D216-R224 IonicContact OD1-NH2 2.96Å; D216-R224 PolarHBondContact OD1-NH2 3.03Å; D216-T237 HydrophobicContact CB-CG2 4.03Å; D216-F238 PolarHBondContact N-O 2.72Å; D216-K239 WeakPolarHBondContact O-CA 3.12Å; D216-S280 VanDerWaalsContact CG-CB 3.49Å; D216-S280 WeakPolarHBondContact OD1-CB 3.43Å; D216-S280 PolarHBondContact OD1-OG 3.2Å; D216-S280 WeakPolarHBondContact OD2-CB 3.28Å; D216-S280 PolarHBondContact OD2-OG 2.91Å
217	L	96.3	Very high	90	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.6	-172.3	-58.2	178.5	0	0	0	111	F243 S280 L281 L283 F412 I413 I416	L217-F243 HydrophobicContact CD1-CD2 4.3Å; L217-F243 HydrophobicContact CD1-CE2 4.43Å; L217-F243 HydrophobicContact CD2-CB 3.96Å; L217-F243 HydrophobicContact CD2-CD2 4.2Å; L217-F243 HydrophobicContact CD2-CG 4.12Å; L217-S280 CarbonylContact O-C 3.59Å; L217-S280 VanDerWaalsContact O-CA 3.3Å; L217-S280 WeakPolarHBondContact O-CA 3.24Å; L217-L281 HydrophobicContact CB-CB 4.42Å; L217-L281 PolarHBondContact N-O 2.72Å; L217-L281 PolarHBondContact O-N 2.9Å; L217-L283 HydrophobicContact CD1-CD2 4.4Å; L217-F412 HydrophobicContact CB-CE1 4.09Å; L217-F412 HydrophobicContact CD1-CE1 4.32Å; L217-F412 HydrophobicContact CD2-CE1 4.15Å; L217-F412 HydrophobicContact CD2-CZ 4.48Å; L217-F412 HydrophobicContact CG-CE1 4.41Å; L217-I413 HydrophobicContact CB-CD1 4.1Å; L217-I413 HydrophobicContact CD1-CD1 4.33Å; L217-I416 HydrophobicContact CD1-CD1 4.25Å; L217-I416 HydrophobicContact CD1-CG2 4.35Å
218	K	93.9	Very high	90.2	Very high	38 Å²	38	48.6 Å²	48.6	17%	0.165	25%	0.254	C	S	.	.			trans	-122.7	-7.3	-180	-74.6	-170.1	-175.5	-166.1	0	113.8	S220 D240 D278 S280	K218-S220 VanDerWaalsContact C-N 3.28Å; K218-S220 PolarHBondContact O-N 3.17Å; K218-D240 PolarHBondContact N-OD1 3.48Å; K218-D240 PolarHBondContact N-OD2 3.47Å; K218-D278 VanDerWaalsContact CE-O 3.22Å; K218-D278 WeakPolarHBondContact CE-O 3.44Å; K218-D278 PolarHBondContact NZ-O 3.44Å; K218-S280 WeakPolarHBondContact CE-OG 3.45Å; K218-S280 WeakPolarHBondContact CG-OG 3.31Å
219	G	88.6	Confident	90.1	Very high	8 Å²	8	50.5 Å²	50.5	8%	0.082	27%	0.265	C	S	.	.	S	Bend	trans	71.5	18.5	-174.4	0	0	0	0	0	114.7	D240 R408 F412	G219-D240 WeakPolarHBondContact CA-OD1 3.41Å; G219-D240 PolarHBondContact N-OD1 2.57Å; G219-R408 WeakPolarHBondContact O-CD 3.36Å; G219-R408 WeakPolarHBondContact O-CG 3.47Å; G219-R408 PolarHBondContact O-NE 3.17Å; G219-F412 VanDerWaalsContact CA-CB 3.45Å
220	S	83.7	Confident	90	Very high	17 Å²	17	51.2 Å²	51.2	12%	0.119	27%	0.268	C	S	.	.			trans	-112.5	153.3	171.2	53.9	0	0	0	0	110.2	K218 R224 D240	K218-S220 VanDerWaalsContact C-N 3.28Å; K218-S220 PolarHBondContact O-N 3.17Å; S220-R224 WeakPolarHBondContact O-CB 3.26Å; S220-R224 VanDerWaalsContact O-CG 3.22Å; S220-R224 WeakPolarHBondContact O-CG 3.45Å; S220-R224 WeakPolarHBondContact OG-CG 3.34Å; S220-D240 WeakPolarHBondContact O-CB 3.45Å
221	L	76.6	Confident	90	Very high	65 Å²	65	54.4 Å²	54.4	34%	0.34	27%	0.271	S	S	.	.			trans	-106.9	-13.3	179.8	-56.9	177.2	0	0	0	113.6	D240 M241	L221-D240 HydrophobicContact CD2-CB 4.5Å; L221-M241 HydrophobicContact CB-SD 3.91Å; L221-M241 HydrophobicContact CD2-SD 3.71Å; L221-M241 HydrophobicContact CG-SD 4.26Å
222	V	77.6	Confident	89.8	Confident	82 Å²	82	61.3 Å²	61.3	50%	0.497	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	119.3	-177.5	-176.2	0	0	0	0	110.7	R224	V222-R224 WeakPolarHBondContact O-CG 3.44Å; V222-R224 PolarHBondContact O-N 3Å
223	D	77.4	Confident	89.4	Confident	143 Å²	143	62.8 Å²	62.8	77%	0.765	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	33.4	-176.8	-56.7	-31.1	0	0	0	113.9
224	R	87.9	Confident	89	Confident	26 Å²	26	69.8 Å²	69.8	10%	0.098	34%	0.344	C	S	.	.			trans	-112.4	46.2	-176.4	-64.1	-62.7	-65.2	178.2	-2.6	113	D216 S220 V222 K239 D240 M241	D216-R224 PolarHBondContact O-NH2 2.87Å; D216-R224 IonicContact OD1-CZ 3.56Å; D216-R224 VanDerWaalsContact OD1-CZ 3.25Å; D216-R224 IonicContact OD1-NH1 3.51Å; D216-R224 PolarHBondContact OD1-NH1 3.28Å; D216-R224 IonicContact OD1-NH2 2.96Å; D216-R224 PolarHBondContact OD1-NH2 3.03Å; S220-R224 WeakPolarHBondContact O-CB 3.26Å; S220-R224 VanDerWaalsContact O-CG 3.22Å; S220-R224 WeakPolarHBondContact O-CG 3.45Å; S220-R224 WeakPolarHBondContact OG-CG 3.34Å; V222-R224 WeakPolarHBondContact O-CG 3.44Å; V222-R224 PolarHBondContact O-N 3Å; R224-K239 VanDerWaalsContact C-CB 3.45Å; R224-K239 HydrophobicContact CB-CB 4.36Å; R224-K239 WeakPolarHBondContact O-CB 3.18Å; R224-D240 HydrophobicContact CB-CB 4.02Å; R224-D240 IonicContact CZ-OD2 3.15Å; R224-D240 IonicContact NE-OD2 3.21Å; R224-D240 PolarHBondContact NE-OD2 3.09Å; R224-D240 IonicContact NH2-OD2 3.29Å; R224-D240 PolarHBondContact NH2-OD2 3.42Å; R224-D240 PolarHBondContact O-N 3.38Å; R224-M241 VanDerWaalsContact O-CB 3.28Å; R224-M241 WeakPolarHBondContact O-CB 3.44Å; R224-M241 PolarHBondContact O-N 2.83Å
225	E	90.8	Very high	88.7	Confident	124 Å²	124	70.6 Å²	70.6	58%	0.579	35%	0.349	S	S	*	.	S	Bend	trans	-118	153.3	163.8	64.4	-173.2	-171	0	0	110.6	K239 M241 D242	E225-K239 WeakPolarHBondContact O-CD 3.23Å; E225-K239 WeakPolarHBondContact O-CE 3.29Å; E225-K239 PolarHBondContact O-NZ 3.29Å; E225-M241 HydrophobicContact CB-CB 4.31Å; E225-D242 WeakPolarHBondContact CA-OD2 3.47Å
226	A	90.3	Very high	88.5	Confident	6 Å²	6	71.3 Å²	71.3	5%	0.05	35%	0.354	C	S	.	.			trans	-66.2	136.4	171.9	0	0	0	0	0	110.2	E230 R231 F238 D242	A226-E230 HydrophobicContact CB-CB 4.38Å; A226-E230 HydrophobicContact CB-CG 4.33Å; A226-R231 HydrophobicContact CB-CG 3.82Å; A226-F238 HydrophobicContact CB-CD1 4.02Å; A226-D242 PolarHBondContact N-OD2 3.36Å
227	S	91	Very high	88.4	Confident	69 Å²	69	71.9 Å²	71.9	48%	0.483	36%	0.358	S	S	.	.			trans	-70	157.5	174.8	60.9	0	0	0	0	110.7	K229 E230 R231	S227-K229 PolarHBondContact O-N 3.28Å; S227-E230 WeakPolarHBondContact O-CA 3.42Å; S227-E230 WeakPolarHBondContact O-CB 3.36Å; S227-E230 PolarHBondContact O-N 2.97Å; S227-E230 PolarHBondContact OG-N 3.06Å; S227-R231 WeakPolarHBondContact O-CG 3.34Å; S227-R231 PolarHBondContact O-N 2.57Å
228	D	90.7	Very high	88.3	Confident	117 Å²	117	73.7 Å²	73.7	63%	0.626	37%	0.366	S	S	*	.	H	α-helix	trans	-55.4	-41.5	178.7	-62.7	-39.5	0	0	0	112.1	E230 R231 E232	D228-E230 VanDerWaalsContact C-N 3.31Å; D228-E230 PolarHBondContact O-N 3.21Å; D228-R231 PolarHBondContact O-N 3.44Å; D228-R231 VanDerWaalsContact O-N 3.12Å; D228-R231 IonicContact OD1-NH1 2.6Å; D228-E232 WeakPolarHBondContact O-CG 3.46Å; D228-E232 PolarHBondContact O-N 2.82Å; D228-E232 VanDerWaalsContact O-N 3.17Å
229	K	88.8	Confident	88.4	Confident	144 Å²	144	74.7 Å²	74.7	63%	0.626	37%	0.37	S	S	*	.	H	α-helix	trans	-60.2	-36.5	174.1	-173.6	-179	178.4	-173.9	0	113.3	S227	S227-K229 PolarHBondContact O-N 3.28Å
230	E	89.4	Confident	88.7	Confident	32 Å²	32	74.3 Å²	74.3	15%	0.15	37%	0.366	C	S	.	.	H	α-helix	trans	-71	-36.9	176.9	-175.5	64.6	-163.5	0	0	110.9	A226 S227 D228 E232 K233 P236 T237	A226-E230 HydrophobicContact CB-CB 4.38Å; A226-E230 HydrophobicContact CB-CG 4.33Å; S227-E230 WeakPolarHBondContact O-CA 3.42Å; S227-E230 WeakPolarHBondContact O-CB 3.36Å; S227-E230 PolarHBondContact O-N 2.97Å; S227-E230 PolarHBondContact OG-N 3.06Å; D228-E230 VanDerWaalsContact C-N 3.31Å; D228-E230 PolarHBondContact O-N 3.21Å; E230-E232 VanDerWaalsContact C-N 3.26Å; E230-E232 PolarHBondContact O-N 2.84Å; E230-K233 WeakPolarHBondContact O-CB 3.39Å; E230-K233 WeakPolarHBondContact O-CG 3.42Å; E230-K233 PolarHBondContact O-N 3.47Å; E230-K233 IonicContact OE1-NZ 3.48Å; E230-K233 WeakPolarHBondContact OE2-CE 3.31Å; E230-K233 IonicContact OE2-NZ 3.37Å; E230-K233 PolarHBondContact OE2-NZ 2.86Å; E230-P236 VanDerWaalsContact O-CB 3.31Å; E230-P236 WeakPolarHBondContact O-CB 3.26Å; E230-T237 WeakPolarHBondContact OE1-CB 3.33Å; E230-T237 PolarHBondContact OE1-N 3.02Å; E230-T237 PolarHBondContact OE1-OG1 2.87Å
231	R	91.2	Very high	89.1	Confident	146 Å²	146	75.9 Å²	75.9	55%	0.551	37%	0.372	S	S	*	.	H	α-helix	trans	-69.8	-21.4	-179.6	-64.8	174.7	71	-165.1	4.9	113.7	A226 S227 D228 K233 F238	A226-R231 HydrophobicContact CB-CG 3.82Å; S227-R231 WeakPolarHBondContact O-CG 3.34Å; S227-R231 PolarHBondContact O-N 2.57Å; D228-R231 PolarHBondContact O-N 3.44Å; D228-R231 VanDerWaalsContact O-N 3.12Å; D228-R231 IonicContact OD1-NH1 2.6Å; R231-K233 VanDerWaalsContact C-N 3.28Å; R231-F238 HydrophobicContact CG-CE1 4.4Å
232	E	90.1	Very high	89.9	Confident	162 Å²	162	73.6 Å²	73.6	76%	0.757	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.1	174.8	-72.8	172.5	-179.4	0	0	113.5	D228 E230	D228-E232 WeakPolarHBondContact O-CG 3.46Å; D228-E232 PolarHBondContact O-N 2.82Å; D228-E232 VanDerWaalsContact O-N 3.17Å; E230-E232 VanDerWaalsContact C-N 3.26Å; E230-E232 PolarHBondContact O-N 2.84Å
233	K	88.3	Confident	90.8	Very high	48 Å²	48	70 Å²	70	21%	0.209	34%	0.338	C	S	.	.	S	Bend	trans	-69.1	154.5	177.4	-64.6	-179	177.5	175.1	0	111.2	E230 R231 L235	E230-K233 WeakPolarHBondContact O-CB 3.39Å; E230-K233 WeakPolarHBondContact O-CG 3.42Å; E230-K233 PolarHBondContact O-N 3.47Å; E230-K233 IonicContact OE1-NZ 3.48Å; E230-K233 WeakPolarHBondContact OE2-CE 3.31Å; E230-K233 IonicContact OE2-NZ 3.37Å; E230-K233 PolarHBondContact OE2-NZ 2.86Å; R231-K233 VanDerWaalsContact C-N 3.28Å; K233-L235 VanDerWaalsContact C-N 3.29Å; K233-L235 PolarHBondContact O-N 3.26Å
234	E	87.6	Confident	91.5	Very high	202 Å²	202	69.3 Å²	69.3	94%	0.944	33%	0.325	S	S	*	.	S	Bend	trans	-59.2	-41.2	173.3	-172.2	179.7	-179.5	0	0	111.9
235	L	89.6	Confident	91.8	Very high	29 Å²	29	73 Å²	73	15%	0.152	35%	0.347	C	S	.	.	S	Bend	trans	-123.2	85	174.2	-173.1	63.4	0	0	0	111	V211 H212 K233	V211-L235 HydrophobicContact CB-CD2 4.45Å; V211-L235 HydrophobicContact CG1-CD2 4.36Å; H212-L235 WeakPolarHBondContact O-CD1 3.5Å; K233-L235 VanDerWaalsContact C-N 3.29Å; K233-L235 PolarHBondContact O-N 3.26Å
236	P	92.3	Very high	91.9	Very high	17 Å²	17	71.2 Å²	71.2	11%	0.11	34%	0.341	C	S	.	.			trans	-67.9	145.6	-179	28.9	-35.5	0	0	0	111.9	E230 F238	E230-P236 VanDerWaalsContact O-CB 3.31Å; E230-P236 WeakPolarHBondContact O-CB 3.26Å; P236-F238 HydrophobicContact CB-CE1 4.32Å; P236-F238 HydrophobicContact CB-CE2 4.4Å; P236-F238 HydrophobicContact CB-CZ 4.14Å; P236-F238 HydrophobicContact CG-CD2 4.35Å; P236-F238 HydrophobicContact CG-CE1 4.18Å; P236-F238 HydrophobicContact CG-CE2 3.62Å; P236-F238 HydrophobicContact CG-CZ 3.51Å; P236-F238 PolarHBondContact O-N 2.7Å
237	T	93.6	Very high	92	Very high	35 Å²	35	78.6 Å²	78.6	22%	0.215	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	94.7	170.3	-42.4	0	0	0	0	109.7	K214 D216 E230	K214-T237 HydrophobicContact CD-CG2 4.37Å; K214-T237 WeakPolarHBondContact CE-OG1 3.28Å; K214-T237 HydrophobicContact CG-CG2 4.24Å; K214-T237 PolarHBondContact NZ-OG1 2.83Å; D216-T237 HydrophobicContact CB-CG2 4.03Å; E230-T237 WeakPolarHBondContact OE1-CB 3.33Å; E230-T237 PolarHBondContact OE1-N 3.02Å; E230-T237 PolarHBondContact OE1-OG1 2.87Å
238	F	95.6	Very high	92.3	Very high	37 Å²	37	76.2 Å²	76.2	16%	0.162	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	162	176.5	-70	-56.9	0	0	0	112.1	K214 Y215 D216 A226 R231 P236 D242	K214-F238 PolarHBondContact O-N 3.01Å; Y215-F238 CarbonylContact C-O 3.48Å; Y215-F238 VanDerWaalsContact CA-O 3.24Å; Y215-F238 WeakPolarHBondContact CA-O 3.47Å; Y215-F238 HydrophobicContact CD1-CB 3.32Å; Y215-F238 HydrophobicContact CD1-CG 4.36Å; Y215-F238 HydrophobicContact CE1-CB 3.47Å; Y215-F238 VanDerWaalsContact CE1-CB 3.47Å; Y215-F238 HydrophobicContact CE1-CD2 4.05Å; Y215-F238 HydrophobicContact CE1-CG 4.06Å; Y215-F238 HydrophobicContact CG-CB 4.15Å; D216-F238 PolarHBondContact N-O 2.72Å; A226-F238 HydrophobicContact CB-CD1 4.02Å; R231-F238 HydrophobicContact CG-CE1 4.4Å; P236-F238 HydrophobicContact CB-CE1 4.32Å; P236-F238 HydrophobicContact CB-CE2 4.4Å; P236-F238 HydrophobicContact CB-CZ 4.14Å; P236-F238 HydrophobicContact CG-CD2 4.35Å; P236-F238 HydrophobicContact CG-CE1 4.18Å; P236-F238 HydrophobicContact CG-CE2 3.62Å; P236-F238 HydrophobicContact CG-CZ 3.51Å; P236-F238 PolarHBondContact O-N 2.7Å; F238-D242 HydrophobicContact CB-CB 3.75Å; F238-D242 HydrophobicContact CD1-CB 3.75Å; F238-D242 HydrophobicContact CG-CB 4.01Å
239	K	95.8	Very high	92.6	Very high	59 Å²	59	74 Å²	74	26%	0.257	34%	0.343	S	S	.	.			trans	-122.6	-169.8	179.7	-63.8	-175.9	-163.7	153.3	0	112	D216 R224 E225 M241 D242 F243	D216-K239 WeakPolarHBondContact O-CA 3.12Å; R224-K239 VanDerWaalsContact C-CB 3.45Å; R224-K239 HydrophobicContact CB-CB 4.36Å; R224-K239 WeakPolarHBondContact O-CB 3.18Å; E225-K239 WeakPolarHBondContact O-CD 3.23Å; E225-K239 WeakPolarHBondContact O-CE 3.29Å; E225-K239 PolarHBondContact O-NZ 3.29Å; K239-M241 PolarHBondContact O-N 2.61Å; K239-D242 PolarHBondContact N-OD2 3.36Å; K239-D242 PolarHBondContact O-N 3.27Å; K239-F243 WeakPolarHBondContact O-CB 3.33Å; K239-F243 PolarHBondContact O-N 2.96Å
240	D	94.2	Very high	93	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.9	-40.7	-173.1	-51.3	-116.5	0	0	0	113.9	K218 G219 S220 L221 R224 R244 F412	K218-D240 PolarHBondContact N-OD1 3.48Å; K218-D240 PolarHBondContact N-OD2 3.47Å; G219-D240 WeakPolarHBondContact CA-OD1 3.41Å; G219-D240 PolarHBondContact N-OD1 2.57Å; S220-D240 WeakPolarHBondContact O-CB 3.45Å; L221-D240 HydrophobicContact CD2-CB 4.5Å; R224-D240 HydrophobicContact CB-CB 4.02Å; R224-D240 IonicContact CZ-OD2 3.15Å; R224-D240 IonicContact NE-OD2 3.21Å; R224-D240 PolarHBondContact NE-OD2 3.09Å; R224-D240 IonicContact NH2-OD2 3.29Å; R224-D240 PolarHBondContact NH2-OD2 3.42Å; R224-D240 PolarHBondContact O-N 3.38Å; D240-R244 WeakPolarHBondContact O-CG 3.4Å; D240-R244 PolarHBondContact O-N 2.88Å; D240-R244 VanDerWaalsContact O-N 3.15Å; D240-F412 HydrophobicContact CB-CE2 4.45Å; D240-F412 HydrophobicContact CB-CZ 3.96Å
241	M	92.4	Very high	93.4	Very high	50 Å²	50	69 Å²	69	25%	0.246	32%	0.319	C	S	.	.	H	α-helix	trans	-70.3	-41.6	178.5	-72.1	-64.9	-71.2	0	0	111.2	L221 R224 E225 K239 F243 R244 N245	L221-M241 HydrophobicContact CB-SD 3.91Å; L221-M241 HydrophobicContact CD2-SD 3.71Å; L221-M241 HydrophobicContact CG-SD 4.26Å; R224-M241 VanDerWaalsContact O-CB 3.28Å; R224-M241 WeakPolarHBondContact O-CB 3.44Å; R224-M241 PolarHBondContact O-N 2.83Å; E225-M241 HydrophobicContact CB-CB 4.31Å; K239-M241 PolarHBondContact O-N 2.61Å; M241-F243 VanDerWaalsContact C-N 3.34Å; M241-F243 PolarHBondContact O-N 3.18Å; M241-R244 PolarHBondContact O-N 3.29Å; M241-N245 VanDerWaalsContact O-CB 3.32Å; M241-N245 WeakPolarHBondContact O-CB 3.42Å; M241-N245 PolarHBondContact O-N 3.25Å; M241-N245 PolarHBondContact O-ND2 3.34Å
242	D	94.5	Very high	93.7	Very high	17 Å²	17	62.8 Å²	62.8	9%	0.091	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-44.8	175.3	-54.9	-58.5	0	0	0	110.8	E225 A226 F238 K239 R244 N245 N246	E225-D242 WeakPolarHBondContact CA-OD2 3.47Å; A226-D242 PolarHBondContact N-OD2 3.36Å; F238-D242 HydrophobicContact CB-CB 3.75Å; F238-D242 HydrophobicContact CD1-CB 3.75Å; F238-D242 HydrophobicContact CG-CB 4.01Å; K239-D242 PolarHBondContact N-OD2 3.36Å; K239-D242 PolarHBondContact O-N 3.27Å; D242-R244 VanDerWaalsContact C-N 3.29Å; D242-R244 PolarHBondContact O-N 2.93Å; D242-N245 PolarHBondContact O-N 3.25Å; D242-N246 VanDerWaalsContact O-CB 3.23Å; D242-N246 WeakPolarHBondContact O-CB 3.47Å; D242-N246 PolarHBondContact O-N 3.5Å; D242-N246 PolarHBondContact O-ND2 2.96Å
243	F	95.8	Very high	94	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.035	28%	0.276	C	S	.	.	H	α-helix	trans	-55.8	-45.3	176.5	-173.7	-84.8	0	0	0	111.6	Y215 L217 K239 M241 M247 Q248 L283 I416	Y215-F243 HydrophobicContact CD1-CB 3.8Å; Y215-F243 AromaticContact CD1-CD2 3.71Å; Y215-F243 HydrophobicContact CD1-CD2 3.71Å; Y215-F243 HydrophobicContact CD1-CG 4.27Å; Y215-F243 HydrophobicContact CD2-CD2 4.17Å; Y215-F243 HydrophobicContact CE1-CB 3.95Å; Y215-F243 AromaticContact CE1-CD2 3.91Å; Y215-F243 HydrophobicContact CE1-CD2 3.91Å; Y215-F243 HydrophobicContact CE1-CG 4.39Å; Y215-F243 HydrophobicContact CE2-CD2 4.33Å; Y215-F243 AromaticContact CG-CD2 3.87Å; Y215-F243 HydrophobicContact CG-CD2 3.87Å; L217-F243 HydrophobicContact CD1-CD2 4.3Å; L217-F243 HydrophobicContact CD1-CE2 4.43Å; L217-F243 HydrophobicContact CD2-CB 3.96Å; L217-F243 HydrophobicContact CD2-CD2 4.2Å; L217-F243 HydrophobicContact CD2-CG 4.12Å; K239-F243 WeakPolarHBondContact O-CB 3.33Å; K239-F243 PolarHBondContact O-N 2.96Å; M241-F243 VanDerWaalsContact C-N 3.34Å; M241-F243 PolarHBondContact O-N 3.18Å; F243-M247 PolarHBondContact O-N 3.23Å; F243-Q248 HydrophobicContact CD1-CB 4.45Å; F243-Q248 HydrophobicContact CD2-CB 3.83Å; F243-Q248 HydrophobicContact CD2-CG 3.84Å; F243-Q248 HydrophobicContact CE1-CB 4.34Å; F243-Q248 WeakPolarHBondContact CE1-O 3.4Å; F243-Q248 HydrophobicContact CE2-CB 3.72Å; F243-Q248 HydrophobicContact CE2-CG 3.39Å; F243-Q248 HydrophobicContact CG-CB 4.19Å; F243-Q248 HydrophobicContact CZ-CB 3.97Å; F243-Q248 HydrophobicContact CZ-CG 3.89Å; F243-Q248 WeakPolarHBondContact CZ-O 3.3Å; F243-Q248 PolarHBondContact O-N 2.93Å; F243-L283 HydrophobicContact CD2-CD2 4.43Å; F243-L283 HydrophobicContact CE2-CD2 3.75Å; F243-I416 HydrophobicContact CE1-CB 3.82Å; F243-I416 HydrophobicContact CE1-CG2 3.94Å; F243-I416 HydrophobicContact CZ-CB 3.7Å; F243-I416 HydrophobicContact CZ-CG2 4.17Å
244	R	92.8	Very high	94.3	Very high	127 Å²	127	61.3 Å²	61.3	48%	0.479	30%	0.299	S	S	.	.	H	α-helix	trans	-68.5	-46	177.5	-72.6	179.4	64.9	-150.6	-3.2	112.6	D240 M241 D242 N246 M247	D240-R244 WeakPolarHBondContact O-CG 3.4Å; D240-R244 PolarHBondContact O-N 2.88Å; D240-R244 VanDerWaalsContact O-N 3.15Å; M241-R244 PolarHBondContact O-N 3.29Å; D242-R244 VanDerWaalsContact C-N 3.29Å; D242-R244 PolarHBondContact O-N 2.93Å; R244-N246 VanDerWaalsContact C-N 3.31Å; R244-N246 PolarHBondContact O-N 2.89Å; R244-M247 PolarHBondContact O-N 3.09Å
245	N	92.9	Very high	94.8	Very high	104 Å²	104	57.4 Å²	57.4	56%	0.556	28%	0.281	S	S	*	.	H	α-helix	trans	-66.2	-36.3	-177.3	-70.1	-14.7	0	0	0	111.6	M241 D242 M247	M241-N245 VanDerWaalsContact O-CB 3.32Å; M241-N245 WeakPolarHBondContact O-CB 3.42Å; M241-N245 PolarHBondContact O-N 3.25Å; M241-N245 PolarHBondContact O-ND2 3.34Å; D242-N245 PolarHBondContact O-N 3.25Å; N245-M247 PolarHBondContact O-N 3.49Å
246	N	93.6	Very high	95.1	Very high	87 Å²	87	58.5 Å²	58.5	47%	0.465	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-2.4	174.5	-66	-7.9	0	0	0	112.8	D242 R244 Q248	D242-N246 VanDerWaalsContact O-CB 3.23Å; D242-N246 WeakPolarHBondContact O-CB 3.47Å; D242-N246 PolarHBondContact O-N 3.5Å; D242-N246 PolarHBondContact O-ND2 2.96Å; R244-N246 VanDerWaalsContact C-N 3.31Å; R244-N246 PolarHBondContact O-N 2.89Å; N246-Q248 PolarHBondContact O-N 2.92Å; N246-Q248 VanDerWaalsContact O-N 3.13Å
247	M	93.1	Very high	95.3	Very high	160 Å²	160	60.4 Å²	60.4	79%	0.788	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	33.3	-173.4	-58.2	-178	-72	0	0	112.3	F243 R244 N245	F243-M247 PolarHBondContact O-N 3.23Å; R244-M247 PolarHBondContact O-N 3.09Å; N245-M247 PolarHBondContact O-N 3.49Å
248	Q	95.9	Very high	95.6	Very high	20 Å²	20	65.6 Å²	65.6	9%	0.093	31%	0.313	C	S	.	.			trans	-68	141.9	-178.3	-175.9	67.1	62.8	0	0	109.8	Y215 F243 N246 I285	Y215-Q248 HydrophobicContact CE2-CG 4.03Å; Y215-Q248 PolarHBondContact OH-OE1 3.1Å; F243-Q248 HydrophobicContact CD1-CB 4.45Å; F243-Q248 HydrophobicContact CD2-CB 3.83Å; F243-Q248 HydrophobicContact CD2-CG 3.84Å; F243-Q248 HydrophobicContact CE1-CB 4.34Å; F243-Q248 WeakPolarHBondContact CE1-O 3.4Å; F243-Q248 HydrophobicContact CE2-CB 3.72Å; F243-Q248 HydrophobicContact CE2-CG 3.39Å; F243-Q248 HydrophobicContact CG-CB 4.19Å; F243-Q248 HydrophobicContact CZ-CB 3.97Å; F243-Q248 HydrophobicContact CZ-CG 3.89Å; F243-Q248 WeakPolarHBondContact CZ-O 3.3Å; F243-Q248 PolarHBondContact O-N 2.93Å; N246-Q248 PolarHBondContact O-N 2.92Å; N246-Q248 VanDerWaalsContact O-N 3.13Å; Q248-I285 HydrophobicContact CG-CD1 4.17Å
249	K	96.7	Very high	95.6	Very high	71 Å²	71	68.9 Å²	68.9	31%	0.309	33%	0.327	S	S	.	.			trans	-137.6	158.2	175.4	-74.2	-63.7	-165.8	158.1	0	110.6	Y251 K415 I416 F417 A418	K249-Y251 HydrophobicContact CB-CD2 4.3Å; K249-Y251 HydrophobicContact CB-CE2 3.63Å; K249-K415 PolarHBondContact NZ-O 2.99Å; K249-I416 WeakPolarHBondContact CA-O 3.46Å; K249-I416 WeakPolarHBondContact CD-O 3.17Å; K249-F417 PolarHBondContact NZ-O 2.85Å; K249-A418 HydrophobicContact CB-CB 4.27Å
250	V	97.6	Very high	95.8	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-108.5	114.8	173.2	177.6	0	0	0	0	108	V252 L283 Y365 M367 I416 F417 A418	V250-V252 HydrophobicContact CG1-CG1 3.95Å; V250-L283 HydrophobicContact CG2-CD1 4.43Å; V250-L283 HydrophobicContact CG2-CD2 3.99Å; V250-Y365 HydrophobicContact CG1-CD1 4.16Å; V250-Y365 HydrophobicContact CG1-CD2 3.71Å; V250-Y365 HydrophobicContact CG1-CE1 4.24Å; V250-Y365 HydrophobicContact CG1-CE2 3.77Å; V250-Y365 HydrophobicContact CG1-CG 3.9Å; V250-Y365 HydrophobicContact CG2-CD1 4.42Å; V250-Y365 HydrophobicContact CG2-CE1 4.46Å; V250-M367 HydrophobicContact CG1-CE 4.1Å; V250-I416 HydrophobicContact CB-CG1 4.49Å; V250-I416 HydrophobicContact CG2-CD1 4.26Å; V250-I416 HydrophobicContact CG2-CG1 4.11Å; V250-I416 PolarHBondContact N-O 2.83Å; V250-F417 HydrophobicContact CB-CD1 3.82Å; V250-F417 HydrophobicContact CB-CE1 4.08Å; V250-F417 HydrophobicContact CG1-CD1 3.67Å; V250-F417 HydrophobicContact CG1-CE1 3.58Å; V250-F417 WeakPolarHBondContact O-CA 3.15Å; V250-A418 PolarHBondContact O-N 3.15Å
251	Y	97.7	Very high	95.9	Very high	69 Å²	69	67.9 Å²	67.9	27%	0.271	32%	0.324	S	S	.	.			trans	-100.6	90.4	-174.6	-64.1	-91.6	0	0	0	109.9	K249 S355 C356 A359 P360 Y365 A418	K249-Y251 HydrophobicContact CB-CD2 4.3Å; K249-Y251 HydrophobicContact CB-CE2 3.63Å; Y251-S355 CarbonylContact O-C 3.54Å; Y251-S355 WeakPolarHBondContact O-CA 3.2Å; Y251-C356 PolarHBondContact O-N 3.06Å; Y251-A359 HydrophobicContact CG-CB 4.07Å; Y251-P360 HydrophobicContact CD1-CG 4.5Å; Y251-P360 HydrophobicContact CE1-CG 3.9Å; Y251-P360 HydrophobicContact CE2-CG 4.1Å; Y251-Y365 PolarHBondContact N-OH 3.11Å; Y251-Y365 VanDerWaalsContact N-OH 3.13Å; Y251-A418 HydrophobicContact CD1-CB 3.33Å; Y251-A418 HydrophobicContact CE1-CB 3.38Å; Y251-A418 HydrophobicContact CG-CB 4.06Å
252	V	97.1	Very high	96.2	Very high	17 Å²	17	70.3 Å²	70.3	10%	0.103	33%	0.334	C	S	.	.			trans	-122	168.8	176.4	-62.4	0	0	0	0	109.7	V250 E256 K257 L353 Y365 F417	V250-V252 HydrophobicContact CG1-CG1 3.95Å; V252-E256 HydrophobicContact CB-CB 4.2Å; V252-E256 HydrophobicContact CG2-CB 4.44Å; V252-K257 HydrophobicContact CG2-CB 3.99Å; V252-L353 HydrophobicContact CG1-CB 4.26Å; V252-Y365 HydrophobicContact CG1-CD2 3.83Å; V252-Y365 HydrophobicContact CG1-CE2 3.93Å; V252-F417 HydrophobicContact CG2-CD1 3.6Å; V252-F417 HydrophobicContact CG2-CE1 3.77Å
253	T	96.7	Very high	96.4	Very high	51 Å²	51	73 Å²	73	31%	0.313	35%	0.346	S	S	.	.			trans	-69	155.2	174.3	61.9	0	0	0	0	111.1	E255 E256 K257 C356	T253-E255 PolarHBondContact O-N 3.28Å; T253-E256 PolarHBondContact N-OE2 3.09Å; T253-E256 PolarHBondContact O-N 3.05Å; T253-E256 WeakPolarHBondContact OG1-CB 3.31Å; T253-E256 VanDerWaalsContact OG1-CD 3.29Å; T253-E256 VanDerWaalsContact OG1-CG 3.24Å; T253-E256 WeakPolarHBondContact OG1-CG 3.46Å; T253-E256 PolarHBondContact OG1-N 3.27Å; T253-E256 PolarHBondContact OG1-OE2 3.02Å; T253-K257 WeakPolarHBondContact O-CB 3.46Å; T253-K257 PolarHBondContact O-N 3.41Å; T253-C356 HydrophobicContact CG2-CB 3.83Å
254	D	96	Very high	96.5	Very high	128 Å²	128	72.7 Å²	72.7	68%	0.684	34%	0.344	S	S	*	.	H	α-helix	trans	-58.1	-34.9	176.1	-75.9	-34.6	0	0	0	112	K257 E258	D254-K257 PolarHBondContact O-N 2.85Å; D254-E258 WeakPolarHBondContact O-CB 3.11Å; D254-E258 PolarHBondContact O-N 3.17Å
255	E	97	Very high	96.7	Very high	120 Å²	120	69 Å²	69	56%	0.561	33%	0.334	S	S	*	.	H	α-helix	trans	-66.4	-43.6	177.2	-168.9	-175.8	164.3	0	0	112.1	T253 E258 K259	T253-E255 PolarHBondContact O-N 3.28Å; E255-E258 PolarHBondContact O-N 2.74Å; E255-K259 HydrophobicContact CG-CD 4.49Å; E255-K259 WeakPolarHBondContact O-CB 3.44Å; E255-K259 VanDerWaalsContact O-CG 3.32Å; E255-K259 WeakPolarHBondContact O-CG 3.49Å; E255-K259 PolarHBondContact O-N 3.39Å; E255-K259 WeakPolarHBondContact OE1-CE 3.16Å; E255-K259 IonicContact OE1-NZ 2.66Å; E255-K259 PolarHBondContact OE1-NZ 2.92Å
256	E	96.3	Very high	97	Very high	52 Å²	52	69 Å²	69	24%	0.243	33%	0.329	C	S	.	.	H	α-helix	trans	-67	-39.5	175.7	-73.5	166.4	138.7	0	0	111.8	V252 T253 K259 F260 L353	V252-E256 HydrophobicContact CB-CB 4.2Å; V252-E256 HydrophobicContact CG2-CB 4.44Å; T253-E256 PolarHBondContact N-OE2 3.09Å; T253-E256 PolarHBondContact O-N 3.05Å; T253-E256 WeakPolarHBondContact OG1-CB 3.31Å; T253-E256 VanDerWaalsContact OG1-CD 3.29Å; T253-E256 VanDerWaalsContact OG1-CG 3.24Å; T253-E256 WeakPolarHBondContact OG1-CG 3.46Å; T253-E256 PolarHBondContact OG1-N 3.27Å; T253-E256 PolarHBondContact OG1-OE2 3.02Å; E256-K259 PolarHBondContact O-N 2.93Å; E256-F260 VanDerWaalsContact O-CB 3.29Å; E256-F260 WeakPolarHBondContact O-CB 3.43Å; E256-F260 PolarHBondContact O-N 3.39Å; E256-L353 HydrophobicContact CB-CD2 4.43Å
257	K	97.4	Very high	97.2	Very high	57 Å²	57	64.9 Å²	64.9	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-46.5	174.1	178.8	-178.8	178	177.5	0	111.3	V252 T253 D254 F260 M261 F417	V252-K257 HydrophobicContact CG2-CB 3.99Å; T253-K257 WeakPolarHBondContact O-CB 3.46Å; T253-K257 PolarHBondContact O-N 3.41Å; D254-K257 PolarHBondContact O-N 2.85Å; K257-F260 PolarHBondContact O-N 3.36Å; K257-M261 HydrophobicContact CG-CG 4.47Å; K257-M261 WeakPolarHBondContact O-CB 3.49Å; K257-M261 VanDerWaalsContact O-CG 3.27Å; K257-M261 WeakPolarHBondContact O-CG 3.38Å; K257-M261 PolarHBondContact O-N 3.38Å; K257-F417 HydrophobicContact CD-CB 3.88Å; K257-F417 HydrophobicContact CD-CD2 4.38Å; K257-F417 HydrophobicContact CD-CG 4.05Å; K257-F417 HydrophobicContact CG-CB 4.4Å; K257-F417 HydrophobicContact CG-CD1 4.36Å; K257-F417 HydrophobicContact CG-CD2 4.08Å; K257-F417 HydrophobicContact CG-CE2 4.49Å; K257-F417 HydrophobicContact CG-CG 4.01Å
258	E	97.8	Very high	97.4	Very high	144 Å²	144	57.3 Å²	57.3	67%	0.673	27%	0.27	S	S	*	.	H	α-helix	trans	-62	-48.4	178.1	-173.7	174	-167.6	0	0	111.1	D254 E255 F260 M261 E262	D254-E258 WeakPolarHBondContact O-CB 3.11Å; D254-E258 PolarHBondContact O-N 3.17Å; E255-E258 PolarHBondContact O-N 2.74Å; E258-F260 VanDerWaalsContact C-N 3.31Å; E258-F260 PolarHBondContact O-N 2.71Å; E258-M261 PolarHBondContact O-N 3.47Å; E258-E262 WeakPolarHBondContact O-CB 3.29Å; E258-E262 PolarHBondContact O-N 2.61Å
259	K	97.3	Very high	97.5	Very high	105 Å²	105	62 Å²	62	46%	0.457	29%	0.291	S	S	.	.	H	α-helix	trans	-58.2	-42.1	175.5	-73.1	172.5	-174	167	0	112.2	E255 E256 K263	E255-K259 HydrophobicContact CG-CD 4.49Å; E255-K259 WeakPolarHBondContact O-CB 3.44Å; E255-K259 VanDerWaalsContact O-CG 3.32Å; E255-K259 WeakPolarHBondContact O-CG 3.49Å; E255-K259 PolarHBondContact O-N 3.39Å; E255-K259 WeakPolarHBondContact OE1-CE 3.16Å; E255-K259 IonicContact OE1-NZ 2.66Å; E255-K259 PolarHBondContact OE1-NZ 2.92Å; E256-K259 PolarHBondContact O-N 2.93Å; K259-K263 WeakPolarHBondContact O-CG 3.36Å; K259-K263 PolarHBondContact O-N 3.42Å
260	F	98.3	Very high	97.5	Very high	9 Å²	9	59.4 Å²	59.4	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-48.6	176.9	177.3	-90.4	0	0	0	111.5	L179 E256 K257 E258 E262 K263 L264 L281 L353 M367 I413 F417	L179-F260 HydrophobicContact CD1-CD2 4.02Å; L179-F260 HydrophobicContact CD1-CE1 4.33Å; L179-F260 HydrophobicContact CD1-CE2 3.51Å; L179-F260 HydrophobicContact CD1-CZ 3.69Å; L179-F260 HydrophobicContact CD2-CD2 4.11Å; L179-F260 HydrophobicContact CD2-CE2 3.78Å; L179-F260 HydrophobicContact CG-CE2 4.32Å; E256-F260 VanDerWaalsContact O-CB 3.29Å; E256-F260 WeakPolarHBondContact O-CB 3.43Å; E256-F260 PolarHBondContact O-N 3.39Å; K257-F260 PolarHBondContact O-N 3.36Å; E258-F260 VanDerWaalsContact C-N 3.31Å; E258-F260 PolarHBondContact O-N 2.71Å; F260-E262 VanDerWaalsContact C-N 3.3Å; F260-E262 PolarHBondContact O-N 3.01Å; F260-K263 PolarHBondContact O-N 2.81Å; F260-L264 HydrophobicContact CE1-CD2 4.26Å; F260-L264 WeakPolarHBondContact O-CB 3.18Å; F260-L264 PolarHBondContact O-N 3.26Å; F260-L281 HydrophobicContact CZ-CD1 4Å; F260-L281 HydrophobicContact CZ-CD2 4.06Å; F260-L353 HydrophobicContact CB-CD1 4.24Å; F260-L353 HydrophobicContact CD2-CD1 3.84Å; F260-L353 HydrophobicContact CG-CD1 4.29Å; F260-M367 HydrophobicContact CD2-CE 4.35Å; F260-M367 HydrophobicContact CE2-CB 3.64Å; F260-M367 HydrophobicContact CE2-CE 4.16Å; F260-M367 HydrophobicContact CE2-SD 4.15Å; F260-M367 HydrophobicContact CZ-CB 4.03Å; F260-M367 HydrophobicContact CZ-SD 4.06Å; F260-I413 HydrophobicContact CE1-CG2 3.88Å; F260-F417 AromaticContact CD1-CE2 3.97Å; F260-F417 HydrophobicContact CD1-CE2 3.97Å; F260-F417 AromaticContact CD1-CZ 3.56Å; F260-F417 HydrophobicContact CD1-CZ 3.56Å; F260-F417 HydrophobicContact CE1-CE2 4.12Å; F260-F417 AromaticContact CE1-CZ 3.79Å; F260-F417 HydrophobicContact CE1-CZ 3.79Å; F260-F417 HydrophobicContact CG-CZ 4.19Å
261	M	98.3	Very high	97.4	Very high	29 Å²	29	59.5 Å²	59.5	14%	0.143	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-33.8	-179.6	-70.9	-58.3	-60.3	0	0	112.1	K257 E258 L264 N265 I413 F417	K257-M261 HydrophobicContact CG-CG 4.47Å; K257-M261 WeakPolarHBondContact O-CB 3.49Å; K257-M261 VanDerWaalsContact O-CG 3.27Å; K257-M261 WeakPolarHBondContact O-CG 3.38Å; K257-M261 PolarHBondContact O-N 3.38Å; E258-M261 PolarHBondContact O-N 3.47Å; M261-L264 HydrophobicContact CE-CD2 3.99Å; M261-L264 PolarHBondContact O-N 3.24Å; M261-L264 HydrophobicContact SD-CD2 3.91Å; M261-N265 WeakPolarHBondContact O-CB 3.37Å; M261-N265 PolarHBondContact O-N 3.49Å; M261-N265 PolarHBondContact O-ND2 2.87Å; M261-I413 HydrophobicContact SD-CG2 4.26Å; M261-F417 HydrophobicContact SD-CE2 4.17Å
262	E	97.9	Very high	97.3	Very high	101 Å²	101	57.2 Å²	57.2	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-46.6	173.8	-166	-166.3	158.7	0	0	111.8	E258 F260 N265 K266	E258-E262 WeakPolarHBondContact O-CB 3.29Å; E258-E262 PolarHBondContact O-N 2.61Å; F260-E262 VanDerWaalsContact C-N 3.3Å; F260-E262 PolarHBondContact O-N 3.01Å; E262-N265 PolarHBondContact O-N 3.41Å; E262-K266 WeakPolarHBondContact O-CG 3.43Å; E262-K266 PolarHBondContact O-N 2.98Å; E262-K266 VanDerWaalsContact O-N 3.15Å; E262-K266 WeakPolarHBondContact OE1-CE 3.37Å; E262-K266 IonicContact OE1-NZ 2.61Å; E262-K266 PolarHBondContact OE1-NZ 2.89Å
263	K	97.9	Very high	97.1	Very high	75 Å²	75	63.4 Å²	63.4	33%	0.326	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-49	174.4	-66.2	177.2	-164.1	-176.7	0	110.8	S177 L179 K259 F260 N265 K266 D267	S177-K263 VanDerWaalsContact OG-CE 3.25Å; S177-K263 WeakPolarHBondContact OG-CE 3.44Å; L179-K263 HydrophobicContact CD1-CB 4.37Å; L179-K263 HydrophobicContact CG-CB 4.15Å; K259-K263 WeakPolarHBondContact O-CG 3.36Å; K259-K263 PolarHBondContact O-N 3.42Å; F260-K263 PolarHBondContact O-N 2.81Å; K263-N265 VanDerWaalsContact C-N 3.29Å; K263-N265 PolarHBondContact O-N 2.9Å; K263-K266 PolarHBondContact O-N 2.74Å; K263-D267 VanDerWaalsContact O-CG 3.31Å; K263-D267 PolarHBondContact O-N 2.92Å
264	L	98.4	Very high	96.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56	-43.7	178.6	-170.5	73.9	0	0	0	111.8	L179 F260 M261 D267 V268 L281 L369 F409 I413	L179-L264 HydrophobicContact CD1-CB 3.87Å; L179-L264 HydrophobicContact CD1-CD1 3.72Å; L179-L264 HydrophobicContact CD1-CG 4.44Å; F260-L264 HydrophobicContact CE1-CD2 4.26Å; F260-L264 WeakPolarHBondContact O-CB 3.18Å; F260-L264 PolarHBondContact O-N 3.26Å; M261-L264 HydrophobicContact CE-CD2 3.99Å; M261-L264 PolarHBondContact O-N 3.24Å; M261-L264 HydrophobicContact SD-CD2 3.91Å; L264-D267 PolarHBondContact O-N 2.67Å; L264-V268 HydrophobicContact CD1-CG2 4.42Å; L264-V268 HydrophobicContact CG-CG2 4.29Å; L264-V268 VanDerWaalsContact O-CB 3.24Å; L264-V268 WeakPolarHBondContact O-CB 3.44Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 2.74Å; L264-L281 HydrophobicContact CD1-CD1 4.35Å; L264-L369 HydrophobicContact CD1-CD2 4.01Å; L264-L369 HydrophobicContact CD1-CG 4.44Å; L264-F409 HydrophobicContact CD1-CE1 3.87Å; L264-F409 HydrophobicContact CD1-CZ 4.45Å; L264-F409 HydrophobicContact CD2-CE1 4.49Å; L264-F409 HydrophobicContact CG-CE1 4.42Å; L264-I413 HydrophobicContact CD2-CB 3.93Å; L264-I413 HydrophobicContact CD2-CG1 4.41Å; L264-I413 HydrophobicContact CD2-CG2 3.6Å
265	N	97.9	Very high	96.7	Very high	51 Å²	51	62 Å²	62	27%	0.273	28%	0.284	S	S	.	.	H	α-helix	trans	-62	-48.8	178.6	-76.6	-33.1	0	0	0	111.7	M261 E262 K263 D267 V268 E269 R410	M261-N265 WeakPolarHBondContact O-CB 3.37Å; M261-N265 PolarHBondContact O-N 3.49Å; M261-N265 PolarHBondContact O-ND2 2.87Å; E262-N265 PolarHBondContact O-N 3.41Å; K263-N265 VanDerWaalsContact C-N 3.29Å; K263-N265 PolarHBondContact O-N 2.9Å; N265-D267 VanDerWaalsContact C-N 3.33Å; N265-D267 PolarHBondContact O-N 2.68Å; N265-V268 PolarHBondContact O-N 2.88Å; N265-E269 WeakPolarHBondContact O-CB 3.46Å; N265-E269 VanDerWaalsContact O-CG 3.25Å; N265-E269 WeakPolarHBondContact O-CG 3.3Å; N265-E269 PolarHBondContact O-N 2.89Å; N265-R410 WeakPolarHBondContact OD1-CD 3.43Å; N265-R410 PolarHBondContact OD1-NH1 3.18Å
266	K	98.1	Very high	96.3	Very high	102 Å²	102	56.4 Å²	56.4	44%	0.443	26%	0.258	S	S	.	.	H	α-helix	trans	-59.5	-43.6	178	-72.4	168.3	173.6	168.4	0	111.8	E262 K263 F270	E262-K266 WeakPolarHBondContact O-CG 3.43Å; E262-K266 PolarHBondContact O-N 2.98Å; E262-K266 VanDerWaalsContact O-N 3.15Å; E262-K266 WeakPolarHBondContact OE1-CE 3.37Å; E262-K266 IonicContact OE1-NZ 2.61Å; E262-K266 PolarHBondContact OE1-NZ 2.89Å; K263-K266 PolarHBondContact O-N 2.74Å; K266-F270 PolarHBondContact O-N 2.97Å; K266-F270 VanDerWaalsContact O-N 3.1Å
267	D	98.4	Very high	95.8	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-70.1	-42.8	-179.8	-66.3	-29.1	0	0	0	112	H170 T178 L179 L180 K263 L264 N265 E269 F270 L271 L369	H170-D267 IonicContact CD2-OD1 3.66Å; H170-D267 IonicContact CE1-OD1 2.94Å; H170-D267 IonicContact NE2-OD1 2.97Å; H170-D267 PolarHBondContact NE2-OD1 2.7Å; T178-D267 PolarHBondContact OG1-OD1 3.39Å; T178-D267 PolarHBondContact OG1-OD2 3.3Å; L179-D267 WeakPolarHBondContact CA-OD2 3.4Å; L179-D267 WeakPolarHBondContact CB-OD2 3.21Å; L179-D267 PolarHBondContact N-OD2 2.93Å; L180-D267 HydrophobicContact CD1-CB 4.41Å; L180-D267 HydrophobicContact CD2-CB 4.29Å; L180-D267 HydrophobicContact CG-CB 4.01Å; K263-D267 VanDerWaalsContact O-CG 3.31Å; K263-D267 PolarHBondContact O-N 2.92Å; L264-D267 PolarHBondContact O-N 2.67Å; N265-D267 VanDerWaalsContact C-N 3.33Å; N265-D267 PolarHBondContact O-N 2.68Å; D267-E269 PolarHBondContact O-N 3.3Å; D267-F270 WeakPolarHBondContact O-CB 3.39Å; D267-F270 PolarHBondContact O-N 3.05Å; D267-L271 WeakPolarHBondContact O-CG 3.33Å; D267-L271 PolarHBondContact O-N 2.87Å; D267-L369 HydrophobicContact CB-CD1 3.77Å
268	V	97.7	Very high	95.3	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-39.4	176.9	166.4	0	0	0	0	111.3	L264 N265 F270 L271 V272 Y279 A406 F409 R410	L264-V268 HydrophobicContact CD1-CG2 4.42Å; L264-V268 HydrophobicContact CG-CG2 4.29Å; L264-V268 VanDerWaalsContact O-CB 3.24Å; L264-V268 WeakPolarHBondContact O-CB 3.44Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 2.74Å; N265-V268 PolarHBondContact O-N 2.88Å; V268-F270 VanDerWaalsContact C-N 3.31Å; V268-F270 PolarHBondContact O-N 3.24Å; V268-L271 PolarHBondContact O-N 2.81Å; V268-V272 HydrophobicContact CG1-CG2 4.47Å; V268-V272 VanDerWaalsContact O-CG2 3.28Å; V268-V272 WeakPolarHBondContact O-CG2 3.22Å; V268-V272 PolarHBondContact O-N 2.8Å; V268-Y279 WeakPolarHBondContact CG1-OH 3.11Å; V268-Y279 HydrophobicContact CG2-CE2 4.14Å; V268-A406 HydrophobicContact CG1-CB 3.4Å; V268-F409 HydrophobicContact CG2-CD1 3.88Å; V268-F409 HydrophobicContact CG2-CE1 3.85Å; V268-R410 HydrophobicContact CB-CG 4.46Å; V268-R410 HydrophobicContact CG1-CG 4.15Å; V268-R410 HydrophobicContact CG2-CG 4.36Å
269	E	96.8	Very high	95.1	Very high	118 Å²	118	46 Å²	46	55%	0.551	21%	0.212	S	C	*	.	H	α-helix	trans	-61.7	-40.2	173.5	-76.7	172	-168.4	0	0	112.1	N265 D267 V272 K273	N265-E269 WeakPolarHBondContact O-CB 3.46Å; N265-E269 VanDerWaalsContact O-CG 3.25Å; N265-E269 WeakPolarHBondContact O-CG 3.3Å; N265-E269 PolarHBondContact O-N 2.89Å; D267-E269 PolarHBondContact O-N 3.3Å; E269-V272 PolarHBondContact O-N 3.27Å; E269-K273 PolarHBondContact O-N 2.85Å
270	F	97.1	Very high	95	Very high	18 Å²	18	41 Å²	41	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-60.8	-46.6	172.3	166.3	-99.3	0	0	0	112	E166 Y167 H170 L180 K266 D267 V268 V272 K273 L274	E166-F270 HydrophobicContact CB-CE2 4.06Å; E166-F270 WeakPolarHBondContact O-CE2 3.43Å; Y167-F270 HydrophobicContact CD2-CE1 4.42Å; Y167-F270 HydrophobicContact CD2-CZ 4.4Å; H170-F270 HydrophobicContact CB-CD2 3.71Å; H170-F270 HydrophobicContact CB-CE2 3.75Å; H170-F270 HydrophobicContact CB-CG 4.24Å; H170-F270 HydrophobicContact CB-CZ 4.32Å; H170-F270 AromaticContact CG-CD2 3.78Å; H170-F270 AromaticContact CG-CG 3.84Å; H170-F270 AromaticContact ND1-CD2 3.94Å; H170-F270 AromaticContact ND1-CG 3.9Å; L180-F270 HydrophobicContact CD1-CD1 3.64Å; L180-F270 HydrophobicContact CD1-CE1 3.8Å; K266-F270 PolarHBondContact O-N 2.97Å; K266-F270 VanDerWaalsContact O-N 3.1Å; D267-F270 WeakPolarHBondContact O-CB 3.39Å; D267-F270 PolarHBondContact O-N 3.05Å; V268-F270 VanDerWaalsContact C-N 3.31Å; V268-F270 PolarHBondContact O-N 3.24Å; F270-V272 PolarHBondContact O-N 3.37Å; F270-K273 WeakPolarHBondContact O-CB 3.36Å; F270-K273 PolarHBondContact O-N 3.31Å; F270-L274 HydrophobicContact CD1-CD1 4.43Å; F270-L274 HydrophobicContact CD2-CD1 4.36Å; F270-L274 HydrophobicContact CE1-CD1 3.69Å; F270-L274 HydrophobicContact CE2-CD1 3.6Å; F270-L274 HydrophobicContact CE2-CG 4.21Å; F270-L274 HydrophobicContact CZ-CD1 3.21Å; F270-L274 HydrophobicContact CZ-CG 4.26Å; F270-L274 PolarHBondContact O-N 2.82Å
271	L	96	Very high	95	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-62.5	-40.5	177.6	-66.1	176.9	0	0	0	112.2	L180 D267 V268 L274 K275 I276 Y279 L369 V372	L180-L271 HydrophobicContact CD2-CD1 4Å; L180-L271 HydrophobicContact CD2-CD2 3.88Å; L180-L271 HydrophobicContact CD2-CG 4.05Å; D267-L271 WeakPolarHBondContact O-CG 3.33Å; D267-L271 PolarHBondContact O-N 2.87Å; V268-L271 PolarHBondContact O-N 2.81Å; L271-L274 CarbonylContact O-C 3.53Å; L271-L274 PolarHBondContact O-N 3.35Å; L271-K275 PolarHBondContact O-N 3.35Å; L271-K275 VanDerWaalsContact O-N 3.09Å; L271-I276 HydrophobicContact CB-CB 4.29Å; L271-I276 HydrophobicContact CD2-CB 4.12Å; L271-I276 HydrophobicContact CD2-CD1 3.73Å; L271-I276 HydrophobicContact CD2-CG2 4.04Å; L271-I276 PolarHBondContact O-N 3.07Å; L271-Y279 HydrophobicContact CB-CD1 4.43Å; L271-Y279 HydrophobicContact CB-CE1 3.99Å; L271-Y279 HydrophobicContact CD1-CD1 3.67Å; L271-Y279 HydrophobicContact CD1-CD2 3.92Å; L271-Y279 HydrophobicContact CD1-CE1 3.77Å; L271-Y279 HydrophobicContact CD1-CE2 4.02Å; L271-Y279 HydrophobicContact CD1-CG 3.74Å; L271-L369 HydrophobicContact CD1-CD1 4.13Å; L271-V372 HydrophobicContact CD1-CG1 4.18Å; L271-V372 HydrophobicContact CD2-CB 3.96Å; L271-V372 HydrophobicContact CD2-CG1 4.18Å
272	V	94.9	Very high	95	Very high	22 Å²	22	40.3 Å²	40.3	13%	0.133	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-45.9	174.8	169.1	0	0	0	0	111.2	V268 E269 F270 L274 K275 E403 A406	V268-V272 HydrophobicContact CG1-CG2 4.47Å; V268-V272 VanDerWaalsContact O-CG2 3.28Å; V268-V272 WeakPolarHBondContact O-CG2 3.22Å; V268-V272 PolarHBondContact O-N 2.8Å; E269-V272 PolarHBondContact O-N 3.27Å; F270-V272 PolarHBondContact O-N 3.37Å; V272-L274 PolarHBondContact O-N 2.63Å; V272-K275 WeakPolarHBondContact O-CA 3.47Å; V272-K275 PolarHBondContact O-N 2.91Å; V272-E403 VanDerWaalsContact CG1-CD 3.45Å; V272-E403 HydrophobicContact CG1-CG 3.72Å; V272-E403 WeakPolarHBondContact CG1-OE1 3.43Å; V272-A406 HydrophobicContact CG2-CB 3.32Å
273	K	93.9	Very high	95	Very high	146 Å²	146	35.5 Å²	35.5	64%	0.635	16%	0.164	S	C	*	.	H	α-helix	trans	-56.8	-38.2	177.7	-177.5	-173.1	173.8	-168.2	0	111.8	E269 F270 K275	E269-K273 PolarHBondContact O-N 2.85Å; F270-K273 WeakPolarHBondContact O-CB 3.36Å; F270-K273 PolarHBondContact O-N 3.31Å; K273-K275 VanDerWaalsContact C-N 3.27Å
274	L	92.3	Very high	95	Very high	28 Å²	28	31.9 Å²	31.9	15%	0.147	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.7	177.3	-64	-176	0	0	0	113.9	I163 E166 F270 L271 V272 I276	I163-L274 HydrophobicContact CB-CD1 3.87Å; I163-L274 HydrophobicContact CG2-CD1 3.88Å; E166-L274 HydrophobicContact CB-CD1 4.46Å; E166-L274 HydrophobicContact CB-CD2 3.91Å; E166-L274 HydrophobicContact CG-CD2 3.95Å; F270-L274 HydrophobicContact CD1-CD1 4.43Å; F270-L274 HydrophobicContact CD2-CD1 4.36Å; F270-L274 HydrophobicContact CE1-CD1 3.69Å; F270-L274 HydrophobicContact CE2-CD1 3.6Å; F270-L274 HydrophobicContact CE2-CG 4.21Å; F270-L274 HydrophobicContact CZ-CD1 3.21Å; F270-L274 HydrophobicContact CZ-CG 4.26Å; F270-L274 PolarHBondContact O-N 2.82Å; L271-L274 CarbonylContact O-C 3.53Å; L271-L274 PolarHBondContact O-N 3.35Å; V272-L274 PolarHBondContact O-N 2.63Å; L274-I276 HydrophobicContact CB-CD1 3.6Å; L274-I276 HydrophobicContact CB-CG1 3.86Å; L274-I276 HydrophobicContact CD1-CD1 3.78Å; L274-I276 HydrophobicContact CG-CD1 4.36Å; L274-I276 PolarHBondContact O-N 2.97Å
275	K	90.4	Very high	95	Very high	123 Å²	123	31.9 Å²	31.9	54%	0.535	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	33.8	-176.6	-54.1	173.9	-178.2	167.8	0	112.3	L271 V272 K273 Y376 P402	L271-K275 PolarHBondContact O-N 3.35Å; L271-K275 VanDerWaalsContact O-N 3.09Å; V272-K275 WeakPolarHBondContact O-CA 3.47Å; V272-K275 PolarHBondContact O-N 2.91Å; K273-K275 VanDerWaalsContact C-N 3.27Å; K275-Y376 VanDerWaalsContact O-CB 3.26Å; K275-Y376 WeakPolarHBondContact O-CB 3.47Å; K275-Y376 PolarHBondContact O-N 3.16Å; K275-P402 HydrophobicContact CB-CG 4.36Å
276	I	90.1	Very high	94.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-84.1	139	174.3	-63.3	162.5	0	0	0	108.3	I163 L271 L274 Y279 V372	I163-I276 HydrophobicContact CD1-CD1 4.45Å; I163-I276 HydrophobicContact CG2-CD1 4.37Å; L271-I276 HydrophobicContact CB-CB 4.29Å; L271-I276 HydrophobicContact CD2-CB 4.12Å; L271-I276 HydrophobicContact CD2-CD1 3.73Å; L271-I276 HydrophobicContact CD2-CG2 4.04Å; L271-I276 PolarHBondContact O-N 3.07Å; L274-I276 HydrophobicContact CB-CD1 3.6Å; L274-I276 HydrophobicContact CB-CG1 3.86Å; L274-I276 HydrophobicContact CD1-CD1 3.78Å; L274-I276 HydrophobicContact CG-CD1 4.36Å; L274-I276 PolarHBondContact O-N 2.97Å; I276-Y279 HydrophobicContact CG2-CD1 4.24Å; I276-V372 WeakPolarHBondContact CD1-O 3.35Å; I276-V372 WeakPolarHBondContact CG2-O 3.25Å
277	M	85.8	Confident	94.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.12	C	C	.	.			trans	-142.8	176.1	-180	67	177.3	-67.2	0	0	111.1	Y279 T374 Y376 K380	M277-Y279 PolarHBondContact O-N 3.16Å; M277-T374 PolarHBondContact N-O 3.31Å; M277-T374 VanDerWaalsContact N-O 3.12Å; M277-Y376 HydrophobicContact SD-CD2 3.22Å; M277-Y376 WeakPolarHBondContact SD-CD2 3.45Å; M277-Y376 HydrophobicContact SD-CE2 3.97Å; M277-Y376 HydrophobicContact SD-CG 3.88Å; M277-K380 HydrophobicContact SD-CD 3.98Å
278	D	85.8	Confident	94.6	Very high	36 Å²	36	25.8 Å²	25.8	19%	0.193	12%	0.121	C	C	.	.			trans	62.4	18.7	179.4	-61.4	-36.8	0	0	0	114.9	K218 K380 Y405	K218-D278 VanDerWaalsContact CE-O 3.22Å; K218-D278 WeakPolarHBondContact CE-O 3.44Å; K218-D278 PolarHBondContact NZ-O 3.44Å; D278-K380 IonicContact OD2-NZ 2.68Å; D278-K380 PolarHBondContact OD2-NZ 3.45Å; D278-Y405 WeakPolarHBondContact CA-OH 3.41Å
279	Y	94.1	Very high	94.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.			trans	-74.9	145	172.2	52.1	-95.2	0	0	0	111.6	V268 L271 I276 M277 L369 I370 Y405 F409	V268-Y279 WeakPolarHBondContact CG1-OH 3.11Å; V268-Y279 HydrophobicContact CG2-CE2 4.14Å; L271-Y279 HydrophobicContact CB-CD1 4.43Å; L271-Y279 HydrophobicContact CB-CE1 3.99Å; L271-Y279 HydrophobicContact CD1-CD1 3.67Å; L271-Y279 HydrophobicContact CD1-CD2 3.92Å; L271-Y279 HydrophobicContact CD1-CE1 3.77Å; L271-Y279 HydrophobicContact CD1-CE2 4.02Å; L271-Y279 HydrophobicContact CD1-CG 3.74Å; I276-Y279 HydrophobicContact CG2-CD1 4.24Å; M277-Y279 PolarHBondContact O-N 3.16Å; Y279-L369 HydrophobicContact CD2-CD2 4.22Å; Y279-I370 WeakPolarHBondContact CA-O 3.39Å; Y279-I370 WeakPolarHBondContact CB-O 3.18Å; Y279-Y405 HydrophobicContact CD1-CD1 4.44Å; Y279-Y405 AromaticContact CD1-CE1 3.98Å; Y279-Y405 HydrophobicContact CD1-CE1 3.98Å; Y279-Y405 HydrophobicContact CD2-CE1 4.02Å; Y279-Y405 AromaticContact CE1-CD1 3.76Å; Y279-Y405 HydrophobicContact CE1-CD1 3.76Å; Y279-Y405 AromaticContact CE1-CE1 3.69Å; Y279-Y405 HydrophobicContact CE1-CE1 3.69Å; Y279-Y405 HydrophobicContact CE2-CD1 4.25Å; Y279-Y405 AromaticContact CE2-CE1 3.73Å; Y279-Y405 HydrophobicContact CE2-CE1 3.73Å; Y279-Y405 HydrophobicContact CG-CE1 4.14Å; Y279-Y405 AromaticContact CZ-CD1 3.65Å; Y279-Y405 AromaticContact CZ-CE1 3.56Å; Y279-Y405 PolarHBondContact O-OH 3.37Å; Y279-F409 HydrophobicContact CD2-CE1 4.26Å; Y279-F409 HydrophobicContact CD2-CE2 4.37Å; Y279-F409 HydrophobicContact CD2-CZ 4.18Å; Y279-F409 AromaticContact CE2-CD1 3.7Å; Y279-F409 HydrophobicContact CE2-CD1 3.7Å; Y279-F409 HydrophobicContact CE2-CD2 4.32Å; Y279-F409 AromaticContact CE2-CE1 3.77Å; Y279-F409 HydrophobicContact CE2-CE1 3.77Å; Y279-F409 HydrophobicContact CE2-CE2 4.41Å; Y279-F409 AromaticContact CE2-CG 3.97Å; Y279-F409 HydrophobicContact CE2-CG 3.97Å; Y279-F409 HydrophobicContact CE2-CZ 4.14Å
280	S	95.1	Very high	94.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	158	176.7	-45	0	0	0	0	111.4	D216 L217 K218 L369 I370	D216-S280 VanDerWaalsContact CG-CB 3.49Å; D216-S280 WeakPolarHBondContact OD1-CB 3.43Å; D216-S280 PolarHBondContact OD1-OG 3.2Å; D216-S280 WeakPolarHBondContact OD2-CB 3.28Å; D216-S280 PolarHBondContact OD2-OG 2.91Å; L217-S280 CarbonylContact O-C 3.59Å; L217-S280 VanDerWaalsContact O-CA 3.3Å; L217-S280 WeakPolarHBondContact O-CA 3.24Å; K218-S280 WeakPolarHBondContact CE-OG 3.45Å; K218-S280 WeakPolarHBondContact CG-OG 3.31Å; S280-L369 CarbonylContact O-C 3.56Å; S280-L369 VanDerWaalsContact O-CA 3.29Å; S280-L369 WeakPolarHBondContact O-CA 3.34Å; S280-I370 PolarHBondContact N-O 3.03Å; S280-I370 VanDerWaalsContact N-O 3.17Å; S280-I370 PolarHBondContact O-N 3.19Å
281	L	97.9	Very high	93.9	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	117.6	153.8	-168.9	79	0	0	0	108	L217 F260 L264 M367 G368 L369 F409 I413 I416	L217-L281 HydrophobicContact CB-CB 4.42Å; L217-L281 PolarHBondContact N-O 2.72Å; L217-L281 PolarHBondContact O-N 2.9Å; F260-L281 HydrophobicContact CZ-CD1 4Å; F260-L281 HydrophobicContact CZ-CD2 4.06Å; L264-L281 HydrophobicContact CD1-CD1 4.35Å; L281-M367 HydrophobicContact CD2-CG 4.49Å; L281-M367 HydrophobicContact CD2-SD 4.36Å; L281-G368 CarbonylContact C-O 3.53Å; L281-G368 WeakPolarHBondContact CA-O 3.27Å; L281-G368 WeakPolarHBondContact CD1-O 3.45Å; L281-L369 HydrophobicContact CD1-CD2 4.14Å; L281-F409 HydrophobicContact CB-CE2 4.15Å; L281-F409 HydrophobicContact CB-CZ 3.89Å; L281-I413 HydrophobicContact CB-CD1 3.87Å; L281-I413 HydrophobicContact CD2-CD1 3.67Å; L281-I413 HydrophobicContact CD2-CG1 4.35Å; L281-I413 HydrophobicContact CD2-CG2 4.08Å; L281-I413 HydrophobicContact CG-CD1 4.4Å; L281-I416 HydrophobicContact CD2-CD1 4.25Å
282	L	97.7	Very high	93.7	Very high	22 Å²	22	28.3 Å²	28.3	12%	0.115	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.5	168.1	-176.4	64.2	0	0	0	108.5	M204 F205 K214 M367 G368 I370	M204-L282 HydrophobicContact CE-CB 3.9Å; M204-L282 HydrophobicContact CE-CD2 4.23Å; M204-L282 HydrophobicContact SD-CD2 3.98Å; F205-L282 HydrophobicContact CE1-CD2 3.99Å; F205-L282 HydrophobicContact CE1-CG 4.06Å; F205-L282 HydrophobicContact CE2-CD2 4.24Å; F205-L282 HydrophobicContact CZ-CD1 4.12Å; F205-L282 HydrophobicContact CZ-CD2 3.56Å; F205-L282 HydrophobicContact CZ-CG 3.78Å; K214-L282 HydrophobicContact CD-CD1 4.34Å; K214-L282 HydrophobicContact CG-CD1 4Å; L282-M367 WeakPolarHBondContact O-CA 3.4Å; L282-G368 PolarHBondContact N-O 2.84Å; L282-G368 PolarHBondContact O-N 3.43Å; L282-I370 HydrophobicContact CB-CD1 4Å; L282-I370 HydrophobicContact CB-CG1 4.18Å; L282-I370 HydrophobicContact CB-CG2 3.9Å; L282-I370 HydrophobicContact CD1-CD1 4.43Å; L282-I370 HydrophobicContact CD2-CG2 4.16Å
283	L	98.3	Very high	93.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	114.8	176.3	167.3	64.5	0	0	0	109.3	K214 Y215 L217 F243 V250 I285 Y365 F366 M367	K214-L283 CarbonylContact C-O 3.34Å; K214-L283 WeakPolarHBondContact CA-O 3.32Å; Y215-L283 HydrophobicContact CD2-CD2 4.18Å; Y215-L283 HydrophobicContact CD2-CG 4.44Å; Y215-L283 PolarHBondContact N-O 3.27Å; Y215-L283 PolarHBondContact O-N 3.49Å; L217-L283 HydrophobicContact CD1-CD2 4.4Å; F243-L283 HydrophobicContact CD2-CD2 4.43Å; F243-L283 HydrophobicContact CE2-CD2 3.75Å; V250-L283 HydrophobicContact CG2-CD1 4.43Å; V250-L283 HydrophobicContact CG2-CD2 3.99Å; L283-I285 HydrophobicContact CD1-CG1 4.15Å; L283-I285 HydrophobicContact CD2-CD1 4.34Å; L283-I285 HydrophobicContact CD2-CG1 4.48Å; L283-I285 HydrophobicContact CG-CD1 4.5Å; L283-I285 HydrophobicContact CG-CG1 4.11Å; L283-Y365 HydrophobicContact CD1-CD1 4.28Å; L283-F366 CarbonylContact C-O 3.43Å; L283-F366 WeakPolarHBondContact CA-O 3.49Å; L283-M367 HydrophobicContact CB-CG 4.34Å; L283-M367 HydrophobicContact CD1-CG 3.4Å; L283-M367 HydrophobicContact CD1-SD 3.9Å; L283-M367 HydrophobicContact CG-CG 4.44Å
284	G	97.9	Very high	93.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	139.4	166.8	0	0	0	0	0	110.5	R213 Y365 F366	R213-G284 CarbonylContact O-C 3.5Å; G284-Y365 CarbonylContact O-C 3.49Å; G284-Y365 WeakPolarHBondContact O-CA 3.37Å; G284-F366 PolarHBondContact N-O 2.98Å; G284-F366 PolarHBondContact O-N 2.98Å
285	I	98	Very high	92.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.6	178.1	-46.5	-177.6	0	0	0	109	H212 R213 Y215 Q248 L283 E363 Y365	H212-I285 PolarHBondContact N-O 3.27Å; R213-I285 HydrophobicContact CB-CB 4.17Å; R213-I285 HydrophobicContact CB-CD1 4.42Å; R213-I285 HydrophobicContact CB-CG1 4.43Å; R213-I285 PolarHBondContact N-O 3.31Å; R213-I285 PolarHBondContact O-N 2.92Å; Y215-I285 HydrophobicContact CD2-CD1 4.36Å; Y215-I285 HydrophobicContact CE2-CD1 3.95Å; Q248-I285 HydrophobicContact CG-CD1 4.17Å; L283-I285 HydrophobicContact CD1-CG1 4.15Å; L283-I285 HydrophobicContact CD2-CD1 4.34Å; L283-I285 HydrophobicContact CD2-CG1 4.48Å; L283-I285 HydrophobicContact CG-CD1 4.5Å; L283-I285 HydrophobicContact CG-CG1 4.11Å; I285-E363 HydrophobicContact CG2-CB 4.1Å; I285-E363 HydrophobicContact CG2-CG 4.02Å; I285-Y365 HydrophobicContact CD1-CE1 4.46Å; I285-Y365 HydrophobicContact CG1-CD1 4.14Å; I285-Y365 HydrophobicContact CG1-CE1 4.49Å; I285-Y365 HydrophobicContact CG2-CD1 4.12Å; I285-Y365 HydrophobicContact CG2-CE1 4.02Å
286	H	97.1	Very high	92.4	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.028	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.9	167.1	171.7	80.2	0	0	0	109	L209 V210 H212 A291 E363 V364 F366	L209-H286 HydrophobicContact CB-CB 4.32Å; V210-H286 PolarHBondContact N-ND1 3.1Å; V210-H286 WeakPolarHBondContact O-CB 3.43Å; V210-H286 PolarHBondContact O-ND1 2.87Å; H212-H286 AromaticContact CE1-CE1 3.89Å; H212-H286 AromaticContact CE1-ND1 3.42Å; H212-H286 PolarHBondContact CE1-ND1 3.02Å; H212-H286 AromaticContact ND1-ND1 3.89Å; H286-A291 VanDerWaalsContact CE1-CB 3.4Å; H286-A291 WeakPolarHBondContact CE1-CB 3.14Å; H286-E363 CarbonylContact O-C 3.53Å; H286-E363 WeakPolarHBondContact O-CA 3.39Å; H286-V364 HydrophobicContact CB-CB 4.24Å; H286-V364 PolarHBondContact N-O 3.27Å; H286-V364 PolarHBondContact O-N 2.91Å; H286-F366 HydrophobicContact CB-CE2 4.04Å
287	D	96.1	Very high	92.1	Very high	17 Å²	17	41.6 Å²	41.6	9%	0.091	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.1	172.1	-178.4	-32.1	0	0	0	108.1	H212 R213 G289 R290 A291	H212-D287 PolarHBondContact CE1-O 3.2Å; H212-D287 PolarHBondContact ND1-N 3.36Å; R213-D287 IonicContact NH2-OD2 2.97Å; D287-G289 PolarHBondContact OD1-N 3.27Å; D287-R290 HydrophobicContact CB-CB 3.84Å; D287-R290 PolarHBondContact O-N 2.86Å; D287-R290 PolarHBondContact OD1-N 3.44Å; D287-A291 PolarHBondContact O-N 2.84Å
288	I	94.6	Very high	91.5	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-40.6	-174.3	-59.3	166.7	0	0	0	110.2	R290 A291 E292 P341 R362 V364	I288-R290 VanDerWaalsContact C-N 3.32Å; I288-R290 PolarHBondContact O-N 3.09Å; I288-A291 PolarHBondContact O-N 3.24Å; I288-E292 HydrophobicContact CG2-CG 4.37Å; I288-E292 VanDerWaalsContact O-CG 3.29Å; I288-E292 WeakPolarHBondContact O-CG 3.32Å; I288-E292 PolarHBondContact O-N 3.01Å; I288-P341 HydrophobicContact CG2-CB 3.99Å; I288-R362 HydrophobicContact CB-CB 4.09Å; I288-R362 WeakPolarHBondContact CB-O 3.2Å; I288-R362 HydrophobicContact CD1-CB 4.02Å; I288-R362 HydrophobicContact CG1-CB 4.48Å; I288-R362 WeakPolarHBondContact CG1-O 3.36Å; I288-R362 PolarHBondContact N-O 3.44Å; I288-V364 HydrophobicContact CD1-CG2 4.06Å; I288-V364 HydrophobicContact CG1-CG2 4.35Å
289	G	92.3	Very high	90.2	Very high	20 Å²	20	44.6 Å²	44.6	21%	0.206	22%	0.221	C	C	.	.	H	α-helix	trans	-72.7	-27.3	-178.1	0	0	0	0	0	112.9	D287 R293	D287-G289 PolarHBondContact OD1-N 3.27Å; G289-R293 PolarHBondContact O-N 3.2Å
290	R	93.1	Very high	88.3	Confident	110 Å²	110	51.1 Å²	51.1	42%	0.415	25%	0.251	S	S	.	.	H	α-helix	trans	-70.7	-46.8	169.8	-179	173.8	170.5	-175.5	-7.1	111.6	D287 I288 E292 R293 E294	D287-R290 HydrophobicContact CB-CB 3.84Å; D287-R290 PolarHBondContact O-N 2.86Å; D287-R290 PolarHBondContact OD1-N 3.44Å; I288-R290 VanDerWaalsContact C-N 3.32Å; I288-R290 PolarHBondContact O-N 3.09Å; R290-E292 VanDerWaalsContact C-N 3.35Å; R290-E292 PolarHBondContact O-N 3.02Å; R290-R293 PolarHBondContact O-N 2.82Å; R290-E294 HydrophobicContact CG-CG 4.46Å; R290-E294 WeakPolarHBondContact CG-OE1 3.15Å; R290-E294 IonicContact CZ-OE1 3.67Å; R290-E294 VanDerWaalsContact CZ-OE1 3.31Å; R290-E294 IonicContact NE-OE1 3.79Å; R290-E294 PolarHBondContact NE-OE1 3.35Å; R290-E294 IonicContact NH2-OE1 3.83Å; R290-E294 PolarHBondContact NH2-OE1 2.81Å; R290-E294 WeakPolarHBondContact O-CG 3.3Å; R290-E294 PolarHBondContact O-N 3.05Å
291	A	91.1	Very high	86.1	Confident	10 Å²	10	56.1 Å²	56.1	8%	0.083	28%	0.282	C	S	.	.	H	α-helix	trans	-61.2	-42.4	178.6	0	0	0	0	0	112.4	H286 D287 I288 R293 E294 E295	H286-A291 VanDerWaalsContact CE1-CB 3.4Å; H286-A291 WeakPolarHBondContact CE1-CB 3.14Å; D287-A291 PolarHBondContact O-N 2.84Å; I288-A291 PolarHBondContact O-N 3.24Å; A291-R293 VanDerWaalsContact C-N 3.29Å; A291-R293 PolarHBondContact O-N 3.34Å; A291-E294 PolarHBondContact O-N 3.12Å; A291-E295 WeakPolarHBondContact O-CG 3.4Å; A291-E295 PolarHBondContact O-N 3.31Å
292	E	90.6	Very high	83.6	Confident	50 Å²	50	58.8 Å²	58.8	23%	0.234	30%	0.301	C	S	.	.	H	α-helix	trans	-55.6	-43.5	175.4	-75	167.5	171.5	0	0	111.2	I288 R290 E295 E296 P341 R362	I288-E292 HydrophobicContact CG2-CG 4.37Å; I288-E292 VanDerWaalsContact O-CG 3.29Å; I288-E292 WeakPolarHBondContact O-CG 3.32Å; I288-E292 PolarHBondContact O-N 3.01Å; R290-E292 VanDerWaalsContact C-N 3.35Å; R290-E292 PolarHBondContact O-N 3.02Å; E292-E295 PolarHBondContact O-N 3.39Å; E292-E296 WeakPolarHBondContact O-CG 3.21Å; E292-E296 PolarHBondContact O-N 2.84Å; E292-P341 HydrophobicContact CG-CB 3.96Å; E292-P341 HydrophobicContact CG-CG 4.35Å; E292-P341 WeakPolarHBondContact OE1-CB 3.46Å; E292-R362 IonicContact OE1-CZ 3.43Å; E292-R362 IonicContact OE1-NH1 3.07Å; E292-R362 PolarHBondContact OE1-NH1 3.04Å; E292-R362 VanDerWaalsContact OE1-NH1 3.11Å; E292-R362 IonicContact OE1-NH2 2.9Å; E292-R362 PolarHBondContact OE1-NH2 2.84Å; E292-R362 IonicContact OE2-CZ 3.49Å; E292-R362 IonicContact OE2-NH1 3.11Å; E292-R362 PolarHBondContact OE2-NH1 3.03Å
293	R	90.3	Very high	80.8	Confident	140 Å²	140	63.3 Å²	63.3	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-68	-41.4	176.4	-73.3	-174.4	-67.5	-109.3	-4.6	113.5	G289 R290 A291 E295 E296 E297	G289-R293 PolarHBondContact O-N 3.2Å; R290-R293 PolarHBondContact O-N 2.82Å; A291-R293 VanDerWaalsContact C-N 3.29Å; A291-R293 PolarHBondContact O-N 3.34Å; R293-E295 VanDerWaalsContact C-N 3.27Å; R293-E295 PolarHBondContact O-N 2.54Å; R293-E296 PolarHBondContact O-N 3.27Å; R293-E297 WeakPolarHBondContact O-CB 3.44Å; R293-E297 WeakPolarHBondContact O-CG 3.1Å; R293-E297 PolarHBondContact O-N 3.15Å
294	E	88.3	Confident	78	Confident	69 Å²	69	71.6 Å²	71.6	32%	0.322	36%	0.363	S	S	.	.	H	α-helix	trans	-65.3	-33.4	178.1	-70	175.8	-179.8	0	0	111.3	H212 R290 A291 S298	H212-E294 IonicContact NE2-OE2 2.79Å; R290-E294 HydrophobicContact CG-CG 4.46Å; R290-E294 WeakPolarHBondContact CG-OE1 3.15Å; R290-E294 IonicContact CZ-OE1 3.67Å; R290-E294 VanDerWaalsContact CZ-OE1 3.31Å; R290-E294 IonicContact NE-OE1 3.79Å; R290-E294 PolarHBondContact NE-OE1 3.35Å; R290-E294 IonicContact NH2-OE1 3.83Å; R290-E294 PolarHBondContact NH2-OE1 2.81Å; R290-E294 WeakPolarHBondContact O-CG 3.3Å; R290-E294 PolarHBondContact O-N 3.05Å; A291-E294 PolarHBondContact O-N 3.12Å; E294-S298 WeakPolarHBondContact O-CB 3.47Å; E294-S298 PolarHBondContact O-N 2.67Å; E294-S298 VanDerWaalsContact O-N 3.07Å; E294-S298 PolarHBondContact O-OG 3.23Å
295	E	83.5	Confident	75.3	Confident	133 Å²	133	80.1 Å²	80.1	62%	0.621	40%	0.403	S	S	*	.	H	α-helix	trans	-69.1	-40.3	172.4	-74	179.4	-178.7	0	0	112.3	A291 E292 R293 S298 G299	A291-E295 WeakPolarHBondContact O-CG 3.4Å; A291-E295 PolarHBondContact O-N 3.31Å; E292-E295 PolarHBondContact O-N 3.39Å; R293-E295 VanDerWaalsContact C-N 3.27Å; R293-E295 PolarHBondContact O-N 2.54Å; E295-S298 WeakPolarHBondContact CA-OG 3.49Å; E295-S298 PolarHBondContact O-OG 2.98Å; E295-G299 PolarHBondContact O-N 2.81Å
296	E	83.9	Confident	72.5	Confident	130 Å²	130	87.4 Å²	87.4	61%	0.607	44%	0.437	S	S	*	.	H	α-helix	trans	-64.2	-49	174.5	-73.3	172	179.1	0	0	111.7	E292 R293 S298 G299 E300	E292-E296 WeakPolarHBondContact O-CG 3.21Å; E292-E296 PolarHBondContact O-N 2.84Å; R293-E296 PolarHBondContact O-N 3.27Å; E296-S298 VanDerWaalsContact C-N 3.34Å; E296-S298 PolarHBondContact O-N 2.73Å; E296-G299 PolarHBondContact O-N 3.33Å; E296-E300 WeakPolarHBondContact O-CG 3.26Å; E296-E300 PolarHBondContact O-N 2.96Å
297	E	82.5	Confident	69.5	Low	127 Å²	127	91.4 Å²	91.4	59%	0.593	47%	0.471	S	S	*	.	H	α-helix	trans	-62.7	-38.2	179.6	-72.8	175	-171.1	0	0	112.1	R293 V301	R293-E297 WeakPolarHBondContact O-CB 3.44Å; R293-E297 WeakPolarHBondContact O-CG 3.1Å; R293-E297 PolarHBondContact O-N 3.15Å; E297-V301 WeakPolarHBondContact O-CG2 3.4Å
298	S	73.3	Confident	66.7	Low	75 Å²	75	99.2 Å²	99.2	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-74.6	-32.2	176.2	55.5	0	0	0	0	113.2	E294 E295 E296 S302	E294-S298 WeakPolarHBondContact O-CB 3.47Å; E294-S298 PolarHBondContact O-N 2.67Å; E294-S298 VanDerWaalsContact O-N 3.07Å; E294-S298 PolarHBondContact O-OG 3.23Å; E295-S298 WeakPolarHBondContact CA-OG 3.49Å; E295-S298 PolarHBondContact O-OG 2.98Å; E296-S298 VanDerWaalsContact C-N 3.34Å; E296-S298 PolarHBondContact O-N 2.73Å; S298-S302 PolarHBondContact O-N 3.29Å
299	G	59.7	Low	63.8	Low	25 Å²	25	104.7 Å²	104.7	26%	0.258	55%	0.546	S	S	.	.	H	α-helix	trans	-68.5	-35.8	174.5	0	0	0	0	0	113.5	E295 E296 S302 N303	E295-G299 PolarHBondContact O-N 2.81Å; E296-G299 PolarHBondContact O-N 3.33Å; G299-S302 WeakPolarHBondContact CA-OG 3.22Å; G299-S302 PolarHBondContact O-N 3.29Å; G299-S302 PolarHBondContact O-OG 3.35Å; G299-N303 PolarHBondContact O-N 2.93Å; G299-N303 VanDerWaalsContact O-N 3.17Å; G299-N303 PolarHBondContact O-ND2 3.37Å
300	E	53	Low	61.2	Low	136 Å²	136	112.7 Å²	112.7	64%	0.636	58%	0.578	S	S	*	*	H	α-helix	trans	-65.2	-39	175.2	-74	-176.6	171.3	0	0	112.1	E296 S302 N303 E304	E296-E300 WeakPolarHBondContact O-CG 3.26Å; E296-E300 PolarHBondContact O-N 2.96Å; E300-S302 VanDerWaalsContact C-N 3.34Å; E300-S302 PolarHBondContact O-N 2.85Å; E300-N303 PolarHBondContact O-N 3.03Å; E300-E304 PolarHBondContact O-N 2.91Å
301	V	49.3	Very low	58.3	Low	105 Å²	105	115.3 Å²	115.3	64%	0.636	60%	0.6	S	S	*	*	H	α-helix	trans	-67.3	-32.9	177.1	179.2	0	0	0	0	112.1	E297	E297-V301 WeakPolarHBondContact O-CG2 3.4Å
302	S	44.9	Very low	55.4	Low	57 Å²	57	118.5 Å²	118.5	40%	0.399	63%	0.634	S	S	.	*	H	α-helix	trans	-74.4	-29.3	174.7	52.8	0	0	0	0	114	S298 G299 E300 E304 E305 E306	S298-S302 PolarHBondContact O-N 3.29Å; G299-S302 WeakPolarHBondContact CA-OG 3.22Å; G299-S302 PolarHBondContact O-N 3.29Å; G299-S302 PolarHBondContact O-OG 3.35Å; E300-S302 VanDerWaalsContact C-N 3.34Å; E300-S302 PolarHBondContact O-N 2.85Å; S302-E304 VanDerWaalsContact C-N 3.32Å; S302-E304 PolarHBondContact O-N 2.91Å; S302-E305 PolarHBondContact O-N 3.21Å; S302-E306 PolarHBondContact O-N 3.36Å
303	N	39.3	Very low	52.5	Low	116 Å²	116	124.6 Å²	124.6	62%	0.62	67%	0.668	S	S	*	*	H	α-helix	trans	-76.6	-17.2	-179.3	-80.1	-31.2	0	0	0	113.6	G299 E300	G299-N303 PolarHBondContact O-N 2.93Å; G299-N303 VanDerWaalsContact O-N 3.17Å; G299-N303 PolarHBondContact O-ND2 3.37Å; E300-N303 PolarHBondContact O-N 3.03Å
304	E	39.9	Very low	49.8	Very low	174 Å²	174	122.6 Å²	122.6	81%	0.813	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-21.7	172.7	-67.5	-169.8	174.8	0	0	112.9	E300 S302	E300-E304 PolarHBondContact O-N 2.91Å; S302-E304 VanDerWaalsContact C-N 3.32Å; S302-E304 PolarHBondContact O-N 2.91Å
305	E	41.2	Very low	47.1	Very low	180 Å²	180	125.4 Å²	125.4	84%	0.841	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-17.8	177	-66.8	-167	169.1	0	0	114	S302	S302-E305 PolarHBondContact O-N 3.21Å
306	E	38.9	Very low	44.6	Very low	153 Å²	153	122.3 Å²	122.3	72%	0.715	71%	0.708	S	S	*	*			trans	-100.9	14.1	-175.9	-70.5	-161.7	162.1	0	0	115.9	S302 E308	S302-E306 PolarHBondContact O-N 3.36Å; E306-E308 PolarHBondContact O-N 3.48Å
307	A	35	Very low	42.1	Very low	89 Å²	89	122.7 Å²	122.7	74%	0.736	72%	0.722	S	S	*	*	S	Bend	trans	-71.1	12.5	175.5	0	0	0	0	0	115.4
308	E	36.5	Very low	39.6	Very low	182 Å²	182	121.6 Å²	121.6	85%	0.85	74%	0.735	S	S	*	*	S	Bend	trans	-139.3	73.8	169.4	-72	-157.4	168.8	0	0	113	E306	E306-E308 PolarHBondContact O-N 3.48Å
309	S	33.2	Very low	37.6	Very low	118 Å²	118	123.2 Å²	123.2	83%	0.825	75%	0.753	S	S	*	*			trans	-177.9	80.8	141.5	-86.4	0	0	0	0	112.5	N311	S309-N311 PolarHBondContact O-N 2.88Å
310	E	37.6	Very low	36.4	Very low	187 Å²	187	125.7 Å²	125.7	87%	0.874	78%	0.779	S	S	*	*			trans	-77.6	113.6	153.9	-87.5	-163.5	145.9	0	0	109.5
311	N	33.3	Very low	35.3	Very low	165 Å²	165	124.6 Å²	124.6	88%	0.882	79%	0.786	S	S	*	*				170.8	114.3	129.2	-90.4	-46.5	0	0	0	111.6	S309	S309-N311 PolarHBondContact O-N 2.88Å
312	G	29.5	Very low	34.9	Very low	78 Å²	78	130.1 Å²	130.1	80%	0.804	80%	0.797	S	S	*	*			trans	-177.8	113.1	167.8	0	0	0	0	0	113.3
313	L	30.4	Very low	34.4	Very low	178 Å²	178	129.5 Å²	129.5	93%	0.932	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-57.1	137.3	-174.7	-74.1	124.3	0	0	0	115
314	A	32.3	Very low	34.7	Very low	97 Å²	97	128.6 Å²	128.6	80%	0.802	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-73.9	138.8	169.7	0	0	0	0	0	112.4
315	P	32.3	Very low	34.7	Very low	129 Å²	129	121 Å²	121	84%	0.838	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-91.2	131.1	159.3	12.5	5.8	0	0	0	110.4
316	G	30	Very low	35.4	Very low	67 Å²	67	117.2 Å²	117.2	69%	0.691	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-70.5	170.2	180	0	0	0	0	0	114.8
317	P	31.3	Very low	36.5	Very low	139 Å²	139	113.2 Å²	113.2	90%	0.903	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-80.7	127.4	-172.5	32	-31.4	0	0	0	111.2
318	A	29.9	Very low	37.9	Very low	104 Å²	104	109 Å²	109	86%	0.86	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-90.8	121.6	165.2	0	0	0	0	0	109.1
319	A	32	Very low	39.5	Very low	108 Å²	108	101.1 Å²	101.1	89%	0.893	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-77	142.2	179.5	0	0	0	0	0	112.5
320	G	34.9	Very low	40.8	Very low	78 Å²	78	96.7 Å²	96.7	80%	0.804	64%	0.636	S	S	*	*			trans	87.2	95.2	147.3	0	0	0	0	0	117.4
321	S	30.2	Very low	41.5	Very low	112 Å²	112	88 Å²	88	78%	0.783	60%	0.596	S	S	*	*			trans	-165.1	118.9	143.1	-167.3	0	0	0	0	109.5	G323	S321-G323 PolarHBondContact O-N 3.4Å; S321-G323 VanDerWaalsContact O-N 3.15Å
322	Y	39.7	Very low	42.3	Very low	221 Å²	221	86.2 Å²	86.2	87%	0.867	58%	0.578	S	S	*	*			trans	-66.4	108.2	165.8	-45.9	-85.2	0	0	0	107
323	G	35.4	Very low	43.4	Very low	45 Å²	45	84.2 Å²	84.2	46%	0.464	55%	0.549	S	S	.	.			trans	-160	141	-174.3	0	0	0	0	0	112.3	S321 S325	S321-G323 PolarHBondContact O-N 3.4Å; S321-G323 VanDerWaalsContact O-N 3.15Å; G323-S325 PolarHBondContact O-N 2.85Å
324	T	44.2	Very low	44.1	Very low	96 Å²	96	80.1 Å²	80.1	59%	0.589	54%	0.535	S	S	*	.			trans	-38.2	118.3	174.4	53	0	0	0	0	112
325	S	41.5	Very low	44.7	Very low	15 Å²	15	80 Å²	80	11%	0.105	53%	0.528	C	S	.	.			trans	-84.3	133.3	-175.4	-177.4	0	0	0	0	111.8	G323 E327 G331	G323-S325 PolarHBondContact O-N 2.85Å; S325-E327 PolarHBondContact O-N 2.78Å; S325-E327 PolarHBondContact OG-N 2.91Å; S325-E327 PolarHBondContact OG-OE2 2.91Å; S325-G331 VanDerWaalsContact CB-O 3.25Å; S325-G331 WeakPolarHBondContact CB-O 3.46Å; S325-G331 VanDerWaalsContact OG-CA 3.24Å; S325-G331 WeakPolarHBondContact OG-CA 3.44Å; S325-G331 PolarHBondContact OG-O 2.85Å
326	P	55.7	Low	45.4	Very low	101 Å²	101	78 Å²	78	66%	0.656	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-0.6	172.7	29.2	-35.3	0	0	0	113.7
327	E	62.6	Low	46.5	Very low	69 Å²	69	83.8 Å²	83.8	32%	0.322	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	0.2	-171.6	-71.9	139.5	-162.9	0	0	115.4	Y143 S325 S334	Y143-E327 PolarHBondContact OH-O 2.82Å; S325-E327 PolarHBondContact O-N 2.78Å; S325-E327 PolarHBondContact OG-N 2.91Å; S325-E327 PolarHBondContact OG-OE2 2.91Å; E327-S334 WeakPolarHBondContact OE2-CB 3.31Å; E327-S334 PolarHBondContact OE2-OG 3.41Å
328	G	63.5	Low	47.9	Very low	0 Å²	0	83.2 Å²	83.2	0%	0	52%	0.519	C	S	.	.			trans	89.4	-162.6	-179.8	0	0	0	0	0	112.4	V120 A330 G331	V120-G328 VanDerWaalsContact CG1-CA 3.5Å; G328-A330 PolarHBondContact O-N 2.98Å; G328-G331 WeakPolarHBondContact O-CA 3.36Å; G328-G331 PolarHBondContact O-N 3.47Å
329	I	70.2	Confident	50	Low	16 Å²	16	80.7 Å²	80.7	8%	0.082	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-56.6	-40.4	-178.8	-62.8	172.3	0	0	0	111	I113 D117 S121 T146 L147 G331	I113-I329 HydrophobicContact CD1-CD1 4.35Å; I113-I329 HydrophobicContact CG1-CD1 4.5Å; I113-I329 HydrophobicContact CG2-CD1 3.87Å; I113-I329 HydrophobicContact CG2-CG1 4.36Å; D117-I329 HydrophobicContact CB-CG1 3.76Å; S121-I329 PolarHBondContact OG-N 3.05Å; T146-I329 HydrophobicContact CG2-CB 4.14Å; T146-I329 HydrophobicContact CG2-CG2 4.15Å; L147-I329 HydrophobicContact CD1-CD1 4.2Å; L147-I329 HydrophobicContact CD2-CD1 3.87Å; L147-I329 HydrophobicContact CG-CD1 4.07Å; I329-G331 PolarHBondContact O-N 2.81Å
330	A	59.8	Low	52	Low	25 Å²	25	76.8 Å²	76.8	21%	0.207	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-70.8	-14.2	175.6	0	0	0	0	0	113.6	D144 T146 G328 M333	D144-A330 HydrophobicContact CB-CB 4.21Å; T146-A330 HydrophobicContact CG2-CB 4.23Å; G328-A330 PolarHBondContact O-N 2.98Å; A330-M333 VanDerWaalsContact O-CB 3.31Å; A330-M333 WeakPolarHBondContact O-CB 3.47Å; A330-M333 VanDerWaalsContact O-CG 3.3Å; A330-M333 WeakPolarHBondContact O-CG 3.43Å; A330-M333 PolarHBondContact O-N 3.12Å
331	G	53.4	Low	54.2	Low	4 Å²	4	76.5 Å²	76.5	4%	0.041	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-73.6	-24.1	-173.5	0	0	0	0	0	115.9	S325 G328 I329 M333	S325-G331 VanDerWaalsContact CB-O 3.25Å; S325-G331 WeakPolarHBondContact CB-O 3.46Å; S325-G331 VanDerWaalsContact OG-CA 3.24Å; S325-G331 WeakPolarHBondContact OG-CA 3.44Å; S325-G331 PolarHBondContact OG-O 2.85Å; G328-G331 WeakPolarHBondContact O-CA 3.36Å; G328-G331 PolarHBondContact O-N 3.47Å; I329-G331 PolarHBondContact O-N 2.81Å; G331-M333 PolarHBondContact O-N 3.22Å; G331-M333 VanDerWaalsContact O-N 3.09Å
332	Y	49.8	Very low	56.6	Low	128 Å²	128	71.3 Å²	71.3	50%	0.502	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-59.1	-21.2	173.7	-167.9	-102.4	0	0	0	111.8	S335	Y332-S335 PolarHBondContact O-OG 3.42Å; Y332-S335 VanDerWaalsContact O-OG 3.09Å
333	M	51.8	Low	59	Low	37 Å²	37	65 Å²	65	18%	0.182	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-86.3	-12.2	-169	-48.2	-172.4	86.3	0	0	114.7	H207 A330 G331 S335 C336 L339 D345 V348	H207-M333 PolarHBondContact NE2-SD 3.41Å; A330-M333 VanDerWaalsContact O-CB 3.31Å; A330-M333 WeakPolarHBondContact O-CB 3.47Å; A330-M333 VanDerWaalsContact O-CG 3.3Å; A330-M333 WeakPolarHBondContact O-CG 3.43Å; A330-M333 PolarHBondContact O-N 3.12Å; G331-M333 PolarHBondContact O-N 3.22Å; G331-M333 VanDerWaalsContact O-N 3.09Å; M333-S335 PolarHBondContact O-N 3.15Å; M333-S335 VanDerWaalsContact O-N 3.11Å; M333-C336 PolarHBondContact O-N 3.24Å; M333-L339 HydrophobicContact CE-CD1 3.82Å; M333-D345 HydrophobicContact CE-CB 3.21Å; M333-D345 WeakPolarHBondContact CE-OD2 3.5Å; M333-V348 HydrophobicContact CE-CG2 4.38Å; M333-V348 HydrophobicContact SD-CG2 4.02Å
334	S	46.5	Very low	61.6	Low	91 Å²	91	64.6 Å²	64.6	64%	0.636	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-66.9	-10.1	175.4	-55.9	0	0	0	0	113.1	E327	E327-S334 WeakPolarHBondContact OE2-CB 3.31Å; E327-S334 PolarHBondContact OE2-OG 3.41Å
335	S	44.1	Very low	63.7	Low	95 Å²	95	61.7 Å²	61.7	66%	0.664	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-98.8	-6.3	179.9	72.7	0	0	0	0	114.7	Y332 M333	Y332-S335 PolarHBondContact O-OG 3.42Å; Y332-S335 VanDerWaalsContact O-OG 3.09Å; M333-S335 PolarHBondContact O-N 3.15Å; M333-S335 VanDerWaalsContact O-N 3.11Å
336	C	45.9	Very low	65.9	Low	86 Å²	86	65 Å²	65	58%	0.581	37%	0.374	S	S	*	.	S	Bend	trans	-107.3	152.9	179.2	-76.3	0	0	0	0	110.9	M333	M333-C336 PolarHBondContact O-N 3.24Å
337	K	53.4	Low	67.4	Low	189 Å²	189	69.2 Å²	69.2	82%	0.822	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-47.4	142.6	177.6	-70.5	178.7	178.2	179.1	0	110.2	L339	K337-L339 PolarHBondContact O-N 3.12Å
338	P	62	Low	68.6	Low	128 Å²	128	66.6 Å²	66.6	83%	0.831	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-54.2	119.7	175	20.5	-29.5	0	0	0	108.8	G340	P338-G340 PolarHBondContact O-N 3.39Å
339	L	73.2	Confident	70	Confident	51 Å²	51	67 Å²	67	27%	0.267	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-62	127.1	179	-72.7	171.6	0	0	0	108.8	R208 M333 K337 E343	R208-L339 VanDerWaalsContact NH1-CB 3.28Å; R208-L339 VanDerWaalsContact NH1-CD1 3.3Å; R208-L339 PolarHBondContact NH2-O 3.07Å; M333-L339 HydrophobicContact CE-CD1 3.82Å; K337-L339 PolarHBondContact O-N 3.12Å; L339-E343 HydrophobicContact CB-CB 3.97Å; L339-E343 HydrophobicContact CD2-CB 3.98Å
340	G	74.9	Confident	71.1	Confident	26 Å²	26	68.6 Å²	68.6	27%	0.268	38%	0.379	S	S	.	.			trans	-70.7	178.9	180	0	0	0	0	0	113.6	P338 G342 E343	P338-G340 PolarHBondContact O-N 3.39Å; G340-G342 PolarHBondContact O-N 3.07Å; G340-E343 PolarHBondContact N-OE2 3.06Å; G340-E343 WeakPolarHBondContact O-CB 3.22Å; G340-E343 PolarHBondContact O-N 3.07Å
341	P	80.7	Confident	72.9	Confident	72 Å²	72	67.7 Å²	67.7	47%	0.468	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	123.4	-178.7	-26.8	35.3	0	0	0	113.2	I288 E292 E343	I288-P341 HydrophobicContact CG2-CB 3.99Å; E292-P341 HydrophobicContact CG-CB 3.96Å; E292-P341 HydrophobicContact CG-CG 4.35Å; E292-P341 WeakPolarHBondContact OE1-CB 3.46Å; P341-E343 PolarHBondContact O-N 3.04Å
342	G	80.9	Confident	74.9	Confident	2 Å²	2	68.2 Å²	68.2	2%	0.021	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	3.3	-176.6	0	0	0	0	0	115.3	G340 R354 V364	G340-G342 PolarHBondContact O-N 3.07Å; G342-R354 VanDerWaalsContact C-NH2 3.29Å; G342-R354 PolarHBondContact O-NH2 3.06Å; G342-V364 WeakPolarHBondContact O-CG2 3.44Å
343	E	88.9	Confident	77.2	Confident	88 Å²	88	63.6 Å²	63.6	41%	0.411	36%	0.359	S	S	.	.			trans	-75.6	134.9	169.9	-63.6	-173.8	167.3	0	0	111.2	R208 L339 G340 P341	R208-E343 PolarHBondContact NH1-O 3.06Å; L339-E343 HydrophobicContact CB-CB 3.97Å; L339-E343 HydrophobicContact CD2-CB 3.98Å; G340-E343 PolarHBondContact N-OE2 3.06Å; G340-E343 WeakPolarHBondContact O-CB 3.22Å; G340-E343 PolarHBondContact O-N 3.07Å; P341-E343 PolarHBondContact O-N 3.04Å
344	F	90	Very high	79.2	Confident	38 Å²	38	66.2 Å²	66.2	17%	0.167	37%	0.366	C	S	.	.			trans	-135.1	156.2	179.7	58.7	-95	0	0	0	109.3	L209 D349 A352 R354 V364	L209-F344 HydrophobicContact CD1-CB 4.03Å; L209-F344 HydrophobicContact CD1-CD1 4.3Å; F344-D349 HydrophobicContact CB-CB 4.24Å; F344-D349 WeakPolarHBondContact CB-OD2 2.8Å; F344-D349 HydrophobicContact CD2-CB 4.36Å; F344-A352 HydrophobicContact CD1-CB 4.21Å; F344-A352 HydrophobicContact CD2-CB 3.53Å; F344-A352 HydrophobicContact CE1-CB 4.06Å; F344-A352 HydrophobicContact CE2-CB 3.37Å; F344-A352 HydrophobicContact CG-CB 3.96Å; F344-A352 HydrophobicContact CZ-CB 3.65Å; F344-R354 HydrophobicContact CE1-CB 4.23Å; F344-V364 HydrophobicContact CD1-CG1 3.7Å; F344-V364 HydrophobicContact CD1-CG2 4.13Å; F344-V364 HydrophobicContact CE1-CG1 3.63Å; F344-V364 HydrophobicContact CE1-CG2 4.16Å
345	D	88.4	Confident	81.6	Confident	34 Å²	34	62.7 Å²	62.7	18%	0.182	34%	0.342	C	S	.	.			trans	-91.9	117.4	174.2	-177	-18.6	0	0	0	109.5	M333 Y347 V348 D349	M333-D345 HydrophobicContact CE-CB 3.21Å; M333-D345 WeakPolarHBondContact CE-OD2 3.5Å; D345-Y347 PolarHBondContact O-N 2.89Å; D345-Y347 VanDerWaalsContact O-N 3.15Å; D345-Y347 WeakPolarHBondContact OD1-CB 3.41Å; D345-Y347 VanDerWaalsContact OD1-CD2 3.31Å; D345-Y347 WeakPolarHBondContact OD1-CD2 3.44Å; D345-Y347 PolarHBondContact OD1-N 2.99Å; D345-V348 HydrophobicContact CB-CB 4.41Å; D345-V348 HydrophobicContact CB-CG2 4.31Å; D345-V348 PolarHBondContact O-N 3.01Å; D345-V348 VanDerWaalsContact O-N 3.1Å; D345-D349 PolarHBondContact O-N 2.92Å
346	P	88.4	Confident	84	Confident	84 Å²	84	59.6 Å²	59.6	55%	0.545	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.1	-179.3	28.4	-36.1	0	0	0	114.1	V350	P346-V350 WeakPolarHBondContact O-CG1 3.44Å
347	Y	86.4	Confident	86.1	Confident	191 Å²	191	61.5 Å²	61.5	75%	0.749	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-25.5	174.6	-64.2	-76.7	0	0	0	113	R202 D345 V350	R202-Y347 PolarHBondContact NH1-O 2.98Å; D345-Y347 PolarHBondContact O-N 2.89Å; D345-Y347 VanDerWaalsContact O-N 3.15Å; D345-Y347 WeakPolarHBondContact OD1-CB 3.41Å; D345-Y347 VanDerWaalsContact OD1-CD2 3.31Å; D345-Y347 WeakPolarHBondContact OD1-CD2 3.44Å; D345-Y347 PolarHBondContact OD1-N 2.99Å; Y347-V350 WeakPolarHBondContact O-CG1 3.38Å
348	V	87.8	Confident	87.8	Confident	14 Å²	14	56.5 Å²	56.5	9%	0.085	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-54.6	176.1	-175.7	0	0	0	0	109.8	T146 R202 H207 M333 D345 V350	T146-V348 HydrophobicContact CG2-CG1 4.24Å; R202-V348 PolarHBondContact NH1-O 3.28Å; H207-V348 WeakPolarHBondContact ND1-CG1 3.4Å; M333-V348 HydrophobicContact CE-CG2 4.38Å; M333-V348 HydrophobicContact SD-CG2 4.02Å; D345-V348 HydrophobicContact CB-CB 4.41Å; D345-V348 HydrophobicContact CB-CG2 4.31Å; D345-V348 PolarHBondContact O-N 3.01Å; D345-V348 VanDerWaalsContact O-N 3.1Å; V348-V350 VanDerWaalsContact C-N 3.28Å; V348-V350 PolarHBondContact O-N 3.41Å; V348-V350 VanDerWaalsContact O-N 3.13Å
349	D	92.6	Very high	89.3	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.043	30%	0.301	C	S	.	.	S	Bend	trans	-92.5	58.1	-176.5	-60.4	-20.8	0	0	0	110	S206 H207 F344 D345 Y351 A352 F366	S206-D349 WeakPolarHBondContact CA-OD1 3.49Å; S206-D349 VanDerWaalsContact CB-OD2 3.27Å; S206-D349 WeakPolarHBondContact CB-OD2 3.42Å; S206-D349 VanDerWaalsContact OG-CG 3.29Å; S206-D349 PolarHBondContact OG-OD1 3.49Å; S206-D349 PolarHBondContact OG-OD2 3.07Å; H207-D349 IonicContact CE1-OD1 3.31Å; H207-D349 IonicContact ND1-OD1 3.01Å; H207-D349 PolarHBondContact ND1-OD1 3.38Å; H207-D349 IonicContact ND1-OD2 3.96Å; F344-D349 HydrophobicContact CB-CB 4.24Å; F344-D349 WeakPolarHBondContact CB-OD2 2.8Å; F344-D349 HydrophobicContact CD2-CB 4.36Å; D345-D349 PolarHBondContact O-N 2.92Å; D349-Y351 PolarHBondContact O-N 2.69Å; D349-A352 HydrophobicContact CB-CB 4.16Å; D349-A352 WeakPolarHBondContact O-CB 3.41Å; D349-A352 PolarHBondContact O-N 3.37Å; D349-F366 HydrophobicContact CB-CE1 4.23Å
350	V	94.5	Very high	90.3	Very high	49 Å²	49	53.4 Å²	53.4	30%	0.297	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.3	-169.6	-58.2	0	0	0	0	115.3	P346 Y347 V348	P346-V350 WeakPolarHBondContact O-CG1 3.44Å; Y347-V350 WeakPolarHBondContact O-CG1 3.38Å; V348-V350 VanDerWaalsContact C-N 3.28Å; V348-V350 PolarHBondContact O-N 3.41Å; V348-V350 VanDerWaalsContact O-N 3.13Å
351	Y	96.5	Very high	91.2	Very high	7 Å²	7	56.2 Å²	56.2	3%	0.027	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	0.9	179.3	-60.4	-78.3	0	0	0	113.2	L180 Q182 M204 D349 F366 M367	L180-Y351 PolarHBondContact O-OH 3.3Å; Q182-Y351 WeakPolarHBondContact CG-OH 3.46Å; M204-Y351 HydrophobicContact CB-CD2 4.18Å; M204-Y351 HydrophobicContact CB-CE2 4.41Å; M204-Y351 HydrophobicContact CG-CD2 4.31Å; M204-Y351 HydrophobicContact CG-CE2 4.06Å; D349-Y351 PolarHBondContact O-N 2.69Å; Y351-F366 WeakPolarHBondContact O-CA 3.49Å; Y351-M367 WeakPolarHBondContact CD1-O 3.25Å; Y351-M367 PolarHBondContact O-N 3.28Å
352	A	96.9	Very high	91.8	Very high	14 Å²	14	58.8 Å²	58.8	12%	0.116	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	139.9	-174.2	0	0	0	0	0	112.9	F344 D349 V364 Y365 F366	F344-A352 HydrophobicContact CD1-CB 4.21Å; F344-A352 HydrophobicContact CD2-CB 3.53Å; F344-A352 HydrophobicContact CE1-CB 4.06Å; F344-A352 HydrophobicContact CE2-CB 3.37Å; F344-A352 HydrophobicContact CG-CB 3.96Å; F344-A352 HydrophobicContact CZ-CB 3.65Å; D349-A352 HydrophobicContact CB-CB 4.16Å; D349-A352 WeakPolarHBondContact O-CB 3.41Å; D349-A352 PolarHBondContact O-N 3.37Å; A352-V364 HydrophobicContact CB-CG1 4.12Å; A352-Y365 CarbonylContact C-O 3.59Å; A352-Y365 VanDerWaalsContact CA-O 3.23Å; A352-Y365 WeakPolarHBondContact CA-O 3.45Å; A352-F366 HydrophobicContact CB-CD1 3.87Å; A352-F366 HydrophobicContact CB-CE1 3.63Å
353	L	96.3	Very high	92.6	Very high	32 Å²	32	58.8 Å²	58.8	17%	0.168	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.6	170.5	-71.4	174.9	0	0	0	108.9	V252 E256 F260 Y365 M367	V252-L353 HydrophobicContact CG1-CB 4.26Å; E256-L353 HydrophobicContact CB-CD2 4.43Å; F260-L353 HydrophobicContact CB-CD1 4.24Å; F260-L353 HydrophobicContact CD2-CD1 3.84Å; F260-L353 HydrophobicContact CG-CD1 4.29Å; L353-Y365 PolarHBondContact N-O 3.48Å; L353-Y365 PolarHBondContact O-N 3.46Å; L353-M367 HydrophobicContact CB-CE 4.34Å; L353-M367 HydrophobicContact CD1-CE 3.37Å; L353-M367 HydrophobicContact CG-CE 4.31Å
354	R	95.7	Very high	93	Very high	92 Å²	92	54.6 Å²	54.6	35%	0.347	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	146.3	-179.9	-175.7	176.3	-76.9	-117.2	1.5	110.3	G342 F344	G342-R354 VanDerWaalsContact C-NH2 3.29Å; G342-R354 PolarHBondContact O-NH2 3.06Å; F344-R354 HydrophobicContact CE1-CB 4.23Å
355	S	95.9	Very high	93.4	Very high	17 Å²	17	52.8 Å²	52.8	12%	0.119	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-62.9	141.3	171.9	65.1	0	0	0	0	112.2	Y251 E363	Y251-S355 CarbonylContact O-C 3.54Å; Y251-S355 WeakPolarHBondContact O-CA 3.2Å; S355-E363 WeakPolarHBondContact CB-O 3.32Å; S355-E363 PolarHBondContact N-O 3.22Å; S355-E363 PolarHBondContact OG-N 3.49Å; S355-E363 PolarHBondContact OG-O 3.28Å
356	C	94.9	Very high	93.9	Very high	29 Å²	29	51.2 Å²	51.2	20%	0.196	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-66.7	156.1	178.1	63.2	0	0	0	0	112.7	Y251 T253 G358 A359	Y251-C356 PolarHBondContact O-N 3.06Å; T253-C356 HydrophobicContact CG2-CB 3.83Å; C356-G358 PolarHBondContact O-N 2.9Å; C356-A359 WeakPolarHBondContact O-CB 3.18Å; C356-A359 PolarHBondContact O-N 3.24Å; C356-A359 VanDerWaalsContact O-N 3.15Å
357	P	90.5	Very high	94.4	Very high	127 Å²	127	47.2 Å²	47.2	83%	0.825	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	127.8	172.3	-21.6	33.3	0	0	0	110.9
358	G	89.3	Confident	94.9	Very high	83 Å²	83	38.1 Å²	38.1	86%	0.856	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.5	1.6	-177.1	0	0	0	0	0	114.9	C356	C356-G358 PolarHBondContact O-N 2.9Å
359	A	93.5	Very high	95.4	Very high	20 Å²	20	37.5 Å²	37.5	17%	0.165	22%	0.222	C	C	.	.			trans	-56.3	146.3	167	0	0	0	0	0	111.1	Y251 C356 Q361	Y251-A359 HydrophobicContact CG-CB 4.07Å; C356-A359 WeakPolarHBondContact O-CB 3.18Å; C356-A359 PolarHBondContact O-N 3.24Å; C356-A359 VanDerWaalsContact O-N 3.15Å; A359-Q361 WeakPolarHBondContact CB-O 3.3Å; A359-Q361 PolarHBondContact O-N 2.72Å
360	P	93.4	Very high	95.5	Very high	95 Å²	95	38.5 Å²	38.5	62%	0.617	23%	0.227	S	C	*	.	S	Bend	trans	-58.9	-29.4	179.6	-24.8	34.3	0	0	0	113.9	Y251	Y251-P360 HydrophobicContact CD1-CG 4.5Å; Y251-P360 HydrophobicContact CE1-CG 3.9Å; Y251-P360 HydrophobicContact CE2-CG 4.1Å
361	Q	93.1	Very high	95.2	Very high	84 Å²	84	39.2 Å²	39.2	39%	0.393	23%	0.229	S	C	.	.	S	Bend	trans	-133.1	144.9	177.5	-66.7	-177	-31.6	0	0	109.3	A359 E363	A359-Q361 WeakPolarHBondContact CB-O 3.3Å; A359-Q361 PolarHBondContact O-N 2.72Å; Q361-E363 HydrophobicContact CB-CG 3.87Å; Q361-E363 PolarHBondContact O-N 3.4Å; Q361-E363 PolarHBondContact OE1-OE1 2.9Å
362	R	94.9	Very high	95	Very high	126 Å²	126	39.2 Å²	39.2	48%	0.475	23%	0.23	S	C	.	.			trans	-78.5	106.3	171.8	-76	169.8	60.1	-142.5	-0.3	108	I288 E292	I288-R362 HydrophobicContact CB-CB 4.09Å; I288-R362 WeakPolarHBondContact CB-O 3.2Å; I288-R362 HydrophobicContact CD1-CB 4.02Å; I288-R362 HydrophobicContact CG1-CB 4.48Å; I288-R362 WeakPolarHBondContact CG1-O 3.36Å; I288-R362 PolarHBondContact N-O 3.44Å; E292-R362 IonicContact OE1-CZ 3.43Å; E292-R362 IonicContact OE1-NH1 3.07Å; E292-R362 PolarHBondContact OE1-NH1 3.04Å; E292-R362 VanDerWaalsContact OE1-NH1 3.11Å; E292-R362 IonicContact OE1-NH2 2.9Å; E292-R362 PolarHBondContact OE1-NH2 2.84Å; E292-R362 IonicContact OE2-CZ 3.49Å; E292-R362 IonicContact OE2-NH1 3.11Å; E292-R362 PolarHBondContact OE2-NH1 3.03Å
363	E	97.1	Very high	94.3	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.4	-172.6	-64.9	177.6	150.9	0	0	112.2	R213 I285 H286 S355 Q361 Y365	R213-E363 IonicContact CZ-OE1 2.72Å; R213-E363 IonicContact NH1-OE1 2.61Å; R213-E363 IonicContact NH2-OE1 2.83Å; R213-E363 PolarHBondContact NH2-OE1 3.35Å; I285-E363 HydrophobicContact CG2-CB 4.1Å; I285-E363 HydrophobicContact CG2-CG 4.02Å; H286-E363 CarbonylContact O-C 3.53Å; H286-E363 WeakPolarHBondContact O-CA 3.39Å; S355-E363 WeakPolarHBondContact CB-O 3.32Å; S355-E363 PolarHBondContact N-O 3.22Å; S355-E363 PolarHBondContact OG-N 3.49Å; S355-E363 PolarHBondContact OG-O 3.28Å; Q361-E363 HydrophobicContact CB-CG 3.87Å; Q361-E363 PolarHBondContact O-N 3.4Å; Q361-E363 PolarHBondContact OE1-OE1 2.9Å; E363-Y365 HydrophobicContact CB-CE1 3.94Å; E363-Y365 HydrophobicContact CB-CE2 4.49Å; E363-Y365 WeakPolarHBondContact OE2-CE1 3.31Å; E363-Y365 PolarHBondContact OE2-OH 3.04Å
364	V	97.8	Very high	93.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.6	163.6	-177.8	0	0	0	0	108.2	L209 H286 I288 G342 F344 A352 F366	L209-V364 HydrophobicContact CD1-CB 4.26Å; L209-V364 HydrophobicContact CD1-CG1 4.22Å; L209-V364 HydrophobicContact CD1-CG2 4.06Å; H286-V364 HydrophobicContact CB-CB 4.24Å; H286-V364 PolarHBondContact N-O 3.27Å; H286-V364 PolarHBondContact O-N 2.91Å; I288-V364 HydrophobicContact CD1-CG2 4.06Å; I288-V364 HydrophobicContact CG1-CG2 4.35Å; G342-V364 WeakPolarHBondContact O-CG2 3.44Å; F344-V364 HydrophobicContact CD1-CG1 3.7Å; F344-V364 HydrophobicContact CD1-CG2 4.13Å; F344-V364 HydrophobicContact CE1-CG1 3.63Å; F344-V364 HydrophobicContact CE1-CG2 4.16Å; A352-V364 HydrophobicContact CB-CG1 4.12Å; V364-F366 HydrophobicContact CG1-CE1 4.26Å; V364-F366 HydrophobicContact CG1-CE2 4.09Å; V364-F366 HydrophobicContact CG1-CZ 3.78Å
365	Y	98.3	Very high	92.4	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.2	-179.3	-51.5	-69.1	0	0	0	110.1	V250 Y251 V252 L283 G284 I285 A352 L353 E363	V250-Y365 HydrophobicContact CG1-CD1 4.16Å; V250-Y365 HydrophobicContact CG1-CD2 3.71Å; V250-Y365 HydrophobicContact CG1-CE1 4.24Å; V250-Y365 HydrophobicContact CG1-CE2 3.77Å; V250-Y365 HydrophobicContact CG1-CG 3.9Å; V250-Y365 HydrophobicContact CG2-CD1 4.42Å; V250-Y365 HydrophobicContact CG2-CE1 4.46Å; Y251-Y365 PolarHBondContact N-OH 3.11Å; Y251-Y365 VanDerWaalsContact N-OH 3.13Å; V252-Y365 HydrophobicContact CG1-CD2 3.83Å; V252-Y365 HydrophobicContact CG1-CE2 3.93Å; L283-Y365 HydrophobicContact CD1-CD1 4.28Å; G284-Y365 CarbonylContact O-C 3.49Å; G284-Y365 WeakPolarHBondContact O-CA 3.37Å; I285-Y365 HydrophobicContact CD1-CE1 4.46Å; I285-Y365 HydrophobicContact CG1-CD1 4.14Å; I285-Y365 HydrophobicContact CG1-CE1 4.49Å; I285-Y365 HydrophobicContact CG2-CD1 4.12Å; I285-Y365 HydrophobicContact CG2-CE1 4.02Å; A352-Y365 CarbonylContact C-O 3.59Å; A352-Y365 VanDerWaalsContact CA-O 3.23Å; A352-Y365 WeakPolarHBondContact CA-O 3.45Å; L353-Y365 PolarHBondContact N-O 3.48Å; L353-Y365 PolarHBondContact O-N 3.46Å; E363-Y365 HydrophobicContact CB-CE1 3.94Å; E363-Y365 HydrophobicContact CB-CE2 4.49Å; E363-Y365 WeakPolarHBondContact OE2-CE1 3.31Å; E363-Y365 PolarHBondContact OE2-OH 3.04Å
366	F	98.3	Very high	91	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.9	171.1	-59.4	-80.8	0	0	0	108.5	F205 L209 V211 L283 G284 H286 D349 Y351 A352 V364	F205-F366 HydrophobicContact CD1-CB 3.75Å; F205-F366 HydrophobicContact CD1-CG 4.28Å; F205-F366 HydrophobicContact CE1-CB 4.33Å; L209-F366 HydrophobicContact CB-CE2 4.38Å; L209-F366 HydrophobicContact CB-CZ 4.04Å; L209-F366 HydrophobicContact CD1-CZ 4.12Å; V211-F366 HydrophobicContact CG2-CD2 4.18Å; V211-F366 HydrophobicContact CG2-CE2 4.48Å; L283-F366 CarbonylContact C-O 3.43Å; L283-F366 WeakPolarHBondContact CA-O 3.49Å; G284-F366 PolarHBondContact N-O 2.98Å; G284-F366 PolarHBondContact O-N 2.98Å; H286-F366 HydrophobicContact CB-CE2 4.04Å; D349-F366 HydrophobicContact CB-CE1 4.23Å; Y351-F366 WeakPolarHBondContact O-CA 3.49Å; A352-F366 HydrophobicContact CB-CD1 3.87Å; A352-F366 HydrophobicContact CB-CE1 3.63Å; V364-F366 HydrophobicContact CG1-CE1 4.26Å; V364-F366 HydrophobicContact CG1-CE2 4.09Å; V364-F366 HydrophobicContact CG1-CZ 3.78Å
367	M	98.3	Very high	89.4	Confident	1 Å²	1	41 Å²	41	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.3	-173.7	-69.8	-177.7	-78.4	0	0	112.3	V250 F260 L281 L282 L283 Y351 L353 F417	V250-M367 HydrophobicContact CG1-CE 4.1Å; F260-M367 HydrophobicContact CD2-CE 4.35Å; F260-M367 HydrophobicContact CE2-CB 3.64Å; F260-M367 HydrophobicContact CE2-CE 4.16Å; F260-M367 HydrophobicContact CE2-SD 4.15Å; F260-M367 HydrophobicContact CZ-CB 4.03Å; F260-M367 HydrophobicContact CZ-SD 4.06Å; L281-M367 HydrophobicContact CD2-CG 4.49Å; L281-M367 HydrophobicContact CD2-SD 4.36Å; L282-M367 WeakPolarHBondContact O-CA 3.4Å; L283-M367 HydrophobicContact CB-CG 4.34Å; L283-M367 HydrophobicContact CD1-CG 3.4Å; L283-M367 HydrophobicContact CD1-SD 3.9Å; L283-M367 HydrophobicContact CG-CG 4.44Å; Y351-M367 WeakPolarHBondContact CD1-O 3.25Å; Y351-M367 PolarHBondContact O-N 3.28Å; L353-M367 HydrophobicContact CB-CE 4.34Å; L353-M367 HydrophobicContact CD1-CE 3.37Å; L353-M367 HydrophobicContact CG-CE 4.31Å; M367-F417 HydrophobicContact CE-CE1 4.24Å; M367-F417 HydrophobicContact CE-CZ 4.41Å; M367-F417 HydrophobicContact SD-CZ 4.43Å
368	G	97.9	Very high	87.6	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	173.4	169.5	0	0	0	0	0	112.9	L179 M204 L281 L282	L179-G368 CarbonylContact O-C 3.42Å; L179-G368 WeakPolarHBondContact O-CA 3.41Å; M204-G368 VanDerWaalsContact CE-O 3.31Å; M204-G368 WeakPolarHBondContact CE-O 3.49Å; L281-G368 CarbonylContact C-O 3.53Å; L281-G368 WeakPolarHBondContact CA-O 3.27Å; L281-G368 WeakPolarHBondContact CD1-O 3.45Å; L282-G368 PolarHBondContact N-O 2.84Å; L282-G368 PolarHBondContact O-N 3.43Å
369	L	97.9	Very high	86.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	138.7	-177.6	-63	171.6	0	0	0	110.8	L179 L180 P181 L264 D267 L271 Y279 S280 L281 V372 F409	L179-L369 HydrophobicContact CB-CD1 4.35Å; L179-L369 HydrophobicContact CB-CG 4.18Å; L179-L369 PolarHBondContact O-N 3.45Å; L180-L369 HydrophobicContact CD2-CB 4.36Å; L180-L369 HydrophobicContact CD2-CD1 3.79Å; L180-L369 HydrophobicContact CG-CD1 4.46Å; P181-L369 VanDerWaalsContact CD-O 3.23Å; P181-L369 WeakPolarHBondContact CD-O 3.22Å; P181-L369 VanDerWaalsContact CG-O 3.29Å; P181-L369 WeakPolarHBondContact CG-O 3.36Å; L264-L369 HydrophobicContact CD1-CD2 4.01Å; L264-L369 HydrophobicContact CD1-CG 4.44Å; D267-L369 HydrophobicContact CB-CD1 3.77Å; L271-L369 HydrophobicContact CD1-CD1 4.13Å; Y279-L369 HydrophobicContact CD2-CD2 4.22Å; S280-L369 CarbonylContact O-C 3.56Å; S280-L369 VanDerWaalsContact O-CA 3.29Å; S280-L369 WeakPolarHBondContact O-CA 3.34Å; L281-L369 HydrophobicContact CD1-CD2 4.14Å; L369-V372 HydrophobicContact CB-CG1 4.19Å; L369-F409 HydrophobicContact CD2-CE1 3.76Å; L369-F409 HydrophobicContact CD2-CZ 3.47Å; L369-F409 VanDerWaalsContact CD2-CZ 3.47Å
370	I	94.7	Very high	84.4	Confident	29 Å²	29	45.3 Å²	45.3	15%	0.149	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	166.7	176.1	59.7	165.8	0	0	0	111.7	M204 Y279 S280 L282 V372	M204-I370 HydrophobicContact CE-CG2 3.79Å; M204-I370 HydrophobicContact SD-CG2 3.26Å; M204-I370 WeakPolarHBondContact SD-CG2 3.48Å; Y279-I370 WeakPolarHBondContact CA-O 3.39Å; Y279-I370 WeakPolarHBondContact CB-O 3.18Å; S280-I370 PolarHBondContact N-O 3.03Å; S280-I370 VanDerWaalsContact N-O 3.17Å; S280-I370 PolarHBondContact O-N 3.19Å; L282-I370 HydrophobicContact CB-CD1 4Å; L282-I370 HydrophobicContact CB-CG1 4.18Å; L282-I370 HydrophobicContact CB-CG2 3.9Å; L282-I370 HydrophobicContact CD1-CD1 4.43Å; L282-I370 HydrophobicContact CD2-CG2 4.16Å; I370-V372 VanDerWaalsContact C-N 3.33Å; I370-V372 PolarHBondContact O-N 3.44Å
371	D	88.6	Confident	82.6	Confident	65 Å²	65	45.3 Å²	45.3	35%	0.348	22%	0.217	S	C	.	.			trans	55.8	41.9	178.6	-64.3	-24.1	0	0	0	114.4	K150 L373	K150-D371 IonicContact NZ-OD1 3.87Å; K150-D371 PolarHBondContact NZ-OD1 3.06Å; D371-L373 VanDerWaalsContact C-N 3.28Å; D371-L373 PolarHBondContact O-N 3.25Å
372	V	91.1	Very high	80.7	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.042	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	18.1	-175.9	-57.1	0	0	0	0	114.9	L180 P181 F183 L271 I276 L369 I370	L180-V372 HydrophobicContact CD2-CG1 3.96Å; P181-V372 HydrophobicContact CG-CG2 3.86Å; F183-V372 HydrophobicContact CE2-CG2 4.3Å; F183-V372 HydrophobicContact CZ-CG2 3.92Å; L271-V372 HydrophobicContact CD1-CG1 4.18Å; L271-V372 HydrophobicContact CD2-CB 3.96Å; L271-V372 HydrophobicContact CD2-CG1 4.18Å; I276-V372 WeakPolarHBondContact CD1-O 3.35Å; I276-V372 WeakPolarHBondContact CG2-O 3.25Å; L369-V372 HydrophobicContact CB-CG1 4.19Å; I370-V372 VanDerWaalsContact C-N 3.33Å; I370-V372 PolarHBondContact O-N 3.44Å
373	L	83.9	Confident	79.1	Confident	20 Å²	20	40.1 Å²	40.1	11%	0.105	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-9.4	178.4	-64.4	-178.2	0	0	0	113.6	D156 M160 I163 D371 Q375	D156-L373 HydrophobicContact CB-CD1 4.23Å; M160-L373 HydrophobicContact CB-CD2 4.45Å; M160-L373 HydrophobicContact CE-CD1 4.28Å; M160-L373 HydrophobicContact CE-CD2 3.7Å; M160-L373 HydrophobicContact SD-CD2 4.45Å; I163-L373 HydrophobicContact CD1-CD2 3.58Å; I163-L373 HydrophobicContact CG1-CD2 4.48Å; D371-L373 VanDerWaalsContact C-N 3.28Å; D371-L373 PolarHBondContact O-N 3.25Å; L373-Q375 PolarHBondContact O-N 3.04Å
374	T	76.9	Confident	77.1	Confident	53 Å²	53	42 Å²	42	33%	0.325	22%	0.224	S	C	.	.			trans	-77.7	98.6	-175.3	-54.6	0	0	0	0	111.6	M277	M277-T374 PolarHBondContact N-O 3.31Å; M277-T374 VanDerWaalsContact N-O 3.12Å
375	Q	74.6	Confident	75.3	Confident	59 Å²	59	44.5 Å²	44.5	28%	0.276	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-76.6	148	177	-60.5	-168	15.7	0	0	112.8	L373 D377	L373-Q375 PolarHBondContact O-N 3.04Å; Q375-D377 PolarHBondContact O-N 3.38Å
376	Y	65.8	Low	73.3	Confident	26 Å²	26	47.5 Å²	47.5	10%	0.102	27%	0.27	C	S	.	.			trans	-78.6	85.1	171.5	-174.7	-122.5	0	0	0	111.2	K275 M277 K380 K381 P402	K275-Y376 VanDerWaalsContact O-CB 3.26Å; K275-Y376 WeakPolarHBondContact O-CB 3.47Å; K275-Y376 PolarHBondContact O-N 3.16Å; M277-Y376 HydrophobicContact SD-CD2 3.22Å; M277-Y376 WeakPolarHBondContact SD-CD2 3.45Å; M277-Y376 HydrophobicContact SD-CE2 3.97Å; M277-Y376 HydrophobicContact SD-CG 3.88Å; Y376-K380 HydrophobicContact CD2-CB 3.52Å; Y376-K380 HydrophobicContact CD2-CD 4.35Å; Y376-K380 HydrophobicContact CE2-CB 3.66Å; Y376-K381 HydrophobicContact CD1-CG 4.04Å; Y376-K381 HydrophobicContact CE1-CD 4.14Å; Y376-K381 HydrophobicContact CE1-CG 3.32Å; Y376-K381 HydrophobicContact CE2-CG 4.22Å; Y376-K381 VanDerWaalsContact CZ-CG 3.45Å; Y376-K381 WeakPolarHBondContact OH-CA 3.45Å; Y376-P402 HydrophobicContact CD1-CG 4.37Å; Y376-P402 HydrophobicContact CG-CG 4.49Å
377	D	60.9	Low	71.5	Confident	64 Å²	64	51.2 Å²	51.2	34%	0.342	29%	0.286	S	S	.	.			trans	-80.1	177.6	178.9	102.3	-29.2	0	0	0	113.6	Q375 K379 K380 K381	Q375-D377 PolarHBondContact O-N 3.38Å; D377-K379 VanDerWaalsContact C-N 3.34Å; D377-K379 VanDerWaalsContact CG-N 3.35Å; D377-K379 PolarHBondContact O-N 2.88Å; D377-K379 VanDerWaalsContact OD1-CA 3.25Å; D377-K379 WeakPolarHBondContact OD1-CA 3.42Å; D377-K379 WeakPolarHBondContact OD1-CB 3.38Å; D377-K379 PolarHBondContact OD1-N 2.82Å; D377-K379 WeakPolarHBondContact OD2-CG 3.49Å; D377-K380 PolarHBondContact O-N 2.65Å; D377-K380 PolarHBondContact OD1-N 2.87Å; D377-K381 WeakPolarHBondContact O-CG 3.29Å; D377-K381 PolarHBondContact O-N 2.79Å
378	T	52.4	Low	69.5	Low	104 Å²	104	53.1 Å²	53.1	64%	0.638	30%	0.298	S	S	*	.	H	α-helix	trans	-64.2	-29	177.3	49.9	0	0	0	0	114.4	K381 A382	T378-K381 WeakPolarHBondContact O-CB 3.27Å; T378-K381 PolarHBondContact O-N 2.81Å; T378-A382 PolarHBondContact O-N 2.88Å
379	K	58.1	Low	67.7	Low	166 Å²	166	59.4 Å²	59.4	72%	0.722	34%	0.336	S	S	*	.	H	α-helix	trans	-67.8	-39.9	172.2	-58.3	173.4	179.4	172.1	0	111	D377 A382 A383	D377-K379 VanDerWaalsContact C-N 3.34Å; D377-K379 VanDerWaalsContact CG-N 3.35Å; D377-K379 PolarHBondContact O-N 2.88Å; D377-K379 VanDerWaalsContact OD1-CA 3.25Å; D377-K379 WeakPolarHBondContact OD1-CA 3.42Å; D377-K379 WeakPolarHBondContact OD1-CB 3.38Å; D377-K379 PolarHBondContact OD1-N 2.82Å; D377-K379 WeakPolarHBondContact OD2-CG 3.49Å; K379-A382 PolarHBondContact O-N 2.84Å; K379-A383 WeakPolarHBondContact O-CB 3.47Å; K379-A383 PolarHBondContact O-N 3.08Å
380	K	57.8	Low	65.6	Low	49 Å²	49	67.4 Å²	67.4	21%	0.213	37%	0.37	C	S	.	.	H	α-helix	trans	-70	-32	173.6	-72.2	-160.3	176.3	-173.6	0	112.8	M277 D278 Y376 D377 A383 H384	M277-K380 HydrophobicContact SD-CD 3.98Å; D278-K380 IonicContact OD2-NZ 2.68Å; D278-K380 PolarHBondContact OD2-NZ 3.45Å; Y376-K380 HydrophobicContact CD2-CB 3.52Å; Y376-K380 HydrophobicContact CD2-CD 4.35Å; Y376-K380 HydrophobicContact CE2-CB 3.66Å; D377-K380 PolarHBondContact O-N 2.65Å; D377-K380 PolarHBondContact OD1-N 2.87Å; K380-A383 PolarHBondContact O-N 2.91Å; K380-H384 WeakPolarHBondContact O-CB 3.22Å; K380-H384 PolarHBondContact O-N 3.49Å
381	K	55.9	Low	63.6	Low	96 Å²	96	71.2 Å²	71.2	42%	0.417	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-44	169.1	-71	173.9	-173.4	176.1	0	112.3	Y376 D377 T378 H384 A385	Y376-K381 HydrophobicContact CD1-CG 4.04Å; Y376-K381 HydrophobicContact CE1-CD 4.14Å; Y376-K381 HydrophobicContact CE1-CG 3.32Å; Y376-K381 HydrophobicContact CE2-CG 4.22Å; Y376-K381 VanDerWaalsContact CZ-CG 3.45Å; Y376-K381 WeakPolarHBondContact OH-CA 3.45Å; D377-K381 WeakPolarHBondContact O-CG 3.29Å; D377-K381 PolarHBondContact O-N 2.79Å; T378-K381 WeakPolarHBondContact O-CB 3.27Å; T378-K381 PolarHBondContact O-N 2.81Å; K381-H384 PolarHBondContact O-N 2.86Å; K381-A385 WeakPolarHBondContact O-CB 3.22Å; K381-A385 PolarHBondContact O-N 3.16Å
382	A	54.3	Low	61.6	Low	61 Å²	61	69.8 Å²	69.8	50%	0.504	39%	0.388	S	S	.	.	H	α-helix	trans	-64.8	-41.6	175.2	0	0	0	0	0	111.9	T378 K379 A385 A386	T378-A382 PolarHBondContact O-N 2.88Å; K379-A382 PolarHBondContact O-N 2.84Å; A382-A385 PolarHBondContact O-N 2.96Å; A382-A386 WeakPolarHBondContact O-CB 3.27Å; A382-A386 PolarHBondContact O-N 2.96Å
383	A	59.7	Low	59.5	Low	39 Å²	39	74.4 Å²	74.4	32%	0.322	43%	0.427	S	S	.	.	H	α-helix	trans	-63.6	-42.3	175	0	0	0	0	0	112.4	K379 K380 A386 K387	K379-A383 WeakPolarHBondContact O-CB 3.47Å; K379-A383 PolarHBondContact O-N 3.08Å; K380-A383 PolarHBondContact O-N 2.91Å; A383-A386 PolarHBondContact O-N 2.68Å; A383-K387 WeakPolarHBondContact O-CB 3.37Å; A383-K387 WeakPolarHBondContact O-CG 3.39Å; A383-K387 PolarHBondContact O-N 3.45Å
384	H	56.6	Low	57.6	Low	41 Å²	41	77.3 Å²	77.3	19%	0.19	46%	0.462	C	S	.	.	H	α-helix	trans	-60.3	-49.3	173.8	-177.4	-55	0	0	0	110.9	K380 K381 A386 K387 T388 T399	K380-H384 WeakPolarHBondContact O-CB 3.22Å; K380-H384 PolarHBondContact O-N 3.49Å; K381-H384 PolarHBondContact O-N 2.86Å; H384-A386 PolarHBondContact O-N 3.38Å; H384-K387 PolarHBondContact O-N 2.95Å; H384-T388 PolarHBondContact CE1-OG1 3.11Å; H384-T388 VanDerWaalsContact CE1-OG1 3.31Å; H384-T388 PolarHBondContact ND1-OG1 3.29Å; H384-T388 VanDerWaalsContact ND1-OG1 3.1Å; H384-T388 WeakPolarHBondContact O-CB 3.5Å; H384-T388 PolarHBondContact O-N 2.85Å; H384-T388 PolarHBondContact O-OG1 3.17Å; H384-T399 WeakPolarHBondContact CA-OG1 3.31Å; H384-T399 VanDerWaalsContact CD2-C 3.44Å; H384-T399 PolarHBondContact CD2-O 2.9Å; H384-T399 PolarHBondContact NE2-O 3.46Å
385	A	58.4	Low	56.1	Low	53 Å²	53	76.7 Å²	76.7	44%	0.438	46%	0.462	S	S	.	.	H	α-helix	trans	-58.8	-47.2	178.5	0	0	0	0	0	111.2	K381 A382 K387 T388 V389	K381-A385 WeakPolarHBondContact O-CB 3.22Å; K381-A385 PolarHBondContact O-N 3.16Å; A382-A385 PolarHBondContact O-N 2.96Å; A385-K387 PolarHBondContact O-N 3.26Å; A385-T388 PolarHBondContact O-N 3.11Å; A385-V389 VanDerWaalsContact O-CG2 3.27Å; A385-V389 WeakPolarHBondContact O-CG2 3.25Å; A385-V389 PolarHBondContact O-N 3.45Å; A385-V389 VanDerWaalsContact O-N 3.07Å
386	A	57.8	Low	54.8	Low	63 Å²	63	79.7 Å²	79.7	52%	0.521	48%	0.476	S	S	.	.	H	α-helix	trans	-62.7	-43.6	178.2	0	0	0	0	0	112.8	A382 A383 H384 V389 K390	A382-A386 WeakPolarHBondContact O-CB 3.27Å; A382-A386 PolarHBondContact O-N 2.96Å; A383-A386 PolarHBondContact O-N 2.68Å; H384-A386 PolarHBondContact O-N 3.38Å; A386-V389 PolarHBondContact O-N 3.22Å; A386-K390 PolarHBondContact O-N 2.98Å; A386-K390 VanDerWaalsContact O-N 3.15Å
387	K	60.1	Low	54.1	Low	80 Å²	80	79.2 Å²	79.2	35%	0.348	48%	0.475	S	S	.	.	H	α-helix	trans	-69.8	-34.5	178.9	-72.5	-173.5	-172.5	-177.7	0	112.6	A383 H384 A385 K390 H391 I397 S398	A383-K387 WeakPolarHBondContact O-CB 3.37Å; A383-K387 WeakPolarHBondContact O-CG 3.39Å; A383-K387 PolarHBondContact O-N 3.45Å; H384-K387 PolarHBondContact O-N 2.95Å; A385-K387 PolarHBondContact O-N 3.26Å; K387-K390 PolarHBondContact O-N 3.34Å; K387-H391 PolarHBondContact O-N 2.91Å; K387-H391 PolarHBondContact O-ND1 3.23Å; K387-I397 HydrophobicContact CB-CD1 4.33Å; K387-I397 HydrophobicContact CB-CG2 3.58Å; K387-I397 HydrophobicContact CD-CG2 3.61Å; K387-I397 HydrophobicContact CG-CG2 4.25Å; K387-S398 PolarHBondContact NZ-OG 3Å; K387-S398 VanDerWaalsContact NZ-OG 3.16Å
388	T	56.6	Low	53.5	Low	41 Å²	41	79.1 Å²	79.1	25%	0.252	48%	0.479	S	S	.	.	H	α-helix	trans	-65.9	-40.8	176.3	-54.9	0	0	0	0	111.1	H384 A385 K390 G392	H384-T388 PolarHBondContact CE1-OG1 3.11Å; H384-T388 VanDerWaalsContact CE1-OG1 3.31Å; H384-T388 PolarHBondContact ND1-OG1 3.29Å; H384-T388 VanDerWaalsContact ND1-OG1 3.1Å; H384-T388 WeakPolarHBondContact O-CB 3.5Å; H384-T388 PolarHBondContact O-N 2.85Å; H384-T388 PolarHBondContact O-OG1 3.17Å; A385-T388 PolarHBondContact O-N 3.11Å; T388-K390 VanDerWaalsContact C-N 3.3Å; T388-K390 PolarHBondContact O-N 3.01Å; T388-G392 WeakPolarHBondContact O-CA 3.4Å; T388-G392 PolarHBondContact O-N 3.1Å
389	V	59.3	Low	53.7	Low	131 Å²	131	74.6 Å²	74.6	79%	0.794	45%	0.452	S	S	*	.	H	α-helix	trans	-65.6	-33.9	175.1	172.4	0	0	0	0	111.5	A385 A386	A385-V389 VanDerWaalsContact O-CG2 3.27Å; A385-V389 WeakPolarHBondContact O-CG2 3.25Å; A385-V389 PolarHBondContact O-N 3.45Å; A385-V389 VanDerWaalsContact O-N 3.07Å; A386-V389 PolarHBondContact O-N 3.22Å
390	K	54.6	Low	54.1	Low	168 Å²	168	67.5 Å²	67.5	73%	0.73	42%	0.422	S	S	*	.	H	α-helix	trans	-82	-35.2	-177.6	-170.1	175.9	177.9	-175.5	0	114.6	A386 K387 T388	A386-K390 PolarHBondContact O-N 2.98Å; A386-K390 VanDerWaalsContact O-N 3.15Å; K387-K390 PolarHBondContact O-N 3.34Å; T388-K390 VanDerWaalsContact C-N 3.3Å; T388-K390 PolarHBondContact O-N 3.01Å
391	H	53.2	Low	55.2	Low	109 Å²	109	69.4 Å²	69.4	51%	0.505	43%	0.432	S	S	.	.	H	α-helix	trans	-112.9	-0.5	-172.4	-55.3	86.5	0	0	0	114.2	K387 A395	K387-H391 PolarHBondContact O-N 2.91Å; K387-H391 PolarHBondContact O-ND1 3.23Å; H391-A395 HydrophobicContact CB-CB 3.67Å; H391-A395 WeakPolarHBondContact O-CB 3.48Å
392	G	44.7	Very low	56.6	Low	35 Å²	35	64.9 Å²	64.9	36%	0.361	41%	0.412	S	S	.	.			trans	81.3	157.3	-177.7	0	0	0	0	0	113.1	T388 G394 A395	T388-G392 WeakPolarHBondContact O-CA 3.4Å; T388-G392 PolarHBondContact O-N 3.1Å; G392-G394 PolarHBondContact O-N 3.24Å; G392-A395 PolarHBondContact O-N 3.33Å
393	A	47.2	Very low	58.3	Low	105 Å²	105	66.6 Å²	66.6	87%	0.868	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.8	-172.6	0	0	0	0	0	115.4
394	G	45.3	Very low	59.7	Low	80 Å²	80	70.2 Å²	70.2	83%	0.825	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	3.3	-177.7	0	0	0	0	0	115.4	G392	G392-G394 PolarHBondContact O-N 3.24Å
395	A	45.2	Very low	61.3	Low	41 Å²	41	68.3 Å²	68.3	34%	0.339	41%	0.411	S	S	.	.	S	Bend	trans	-77.8	138.1	176.5	0	0	0	0	0	111.1	H391 G392 I397	H391-A395 HydrophobicContact CB-CB 3.67Å; H391-A395 WeakPolarHBondContact O-CB 3.48Å; G392-A395 PolarHBondContact O-N 3.33Å; A395-I397 VanDerWaalsContact C-N 3.27Å; A395-I397 HydrophobicContact CB-CD1 4.38Å; A395-I397 HydrophobicContact CB-CG1 4.01Å; A395-I397 WeakPolarHBondContact O-CG1 3.41Å; A395-I397 PolarHBondContact O-N 3.41Å
396	E	47.3	Very low	63	Low	122 Å²	122	65.9 Å²	65.9	57%	0.57	39%	0.391	S	S	*	.			trans	-67	86.4	168.1	-74.2	-166.1	163.3	0	0	109.7
397	I	51.5	Low	64.8	Low	15 Å²	15	69 Å²	69	8%	0.077	39%	0.393	C	S	.	.			trans	-86.6	142.7	-179.3	-63.3	162	0	0	0	109.2	K387 A395 T399 V400	K387-I397 HydrophobicContact CB-CD1 4.33Å; K387-I397 HydrophobicContact CB-CG2 3.58Å; K387-I397 HydrophobicContact CD-CG2 3.61Å; K387-I397 HydrophobicContact CG-CG2 4.25Å; A395-I397 VanDerWaalsContact C-N 3.27Å; A395-I397 HydrophobicContact CB-CD1 4.38Å; A395-I397 HydrophobicContact CB-CG1 4.01Å; A395-I397 WeakPolarHBondContact O-CG1 3.41Å; A395-I397 PolarHBondContact O-N 3.41Å; I397-T399 VanDerWaalsContact C-N 3.26Å; I397-T399 WeakPolarHBondContact CG2-OG1 3.49Å; I397-T399 PolarHBondContact O-N 3.33Å; I397-V400 WeakPolarHBondContact O-CG1 3.32Å
398	S	48.4	Very low	66.4	Low	62 Å²	62	67.2 Å²	67.2	43%	0.434	38%	0.384	S	S	.	.	S	Bend	trans	-62.1	-33.1	179.9	87.6	0	0	0	0	113.1	K387	K387-S398 PolarHBondContact NZ-OG 3Å; K387-S398 VanDerWaalsContact NZ-OG 3.16Å
399	T	55.4	Low	68.2	Low	9 Å²	9	65.2 Å²	65.2	6%	0.055	37%	0.372	C	S	.	.	S	Bend	trans	-95.4	100.4	173.7	48.1	0	0	0	0	108.3	H384 I397	H384-T399 WeakPolarHBondContact CA-OG1 3.31Å; H384-T399 VanDerWaalsContact CD2-C 3.44Å; H384-T399 PolarHBondContact CD2-O 2.9Å; H384-T399 PolarHBondContact NE2-O 3.46Å; I397-T399 VanDerWaalsContact C-N 3.26Å; I397-T399 WeakPolarHBondContact CG2-OG1 3.49Å; I397-T399 PolarHBondContact O-N 3.33Å
400	V	67.4	Low	70	Confident	17 Å²	17	62.2 Å²	62.2	10%	0.103	35%	0.346	C	S	.	.			trans	-118.8	157.4	173.8	-81.9	0	0	0	0	109.6	I397 Q404 Y405	I397-V400 WeakPolarHBondContact O-CG1 3.32Å; V400-Q404 HydrophobicContact CB-CB 4.26Å; V400-Y405 HydrophobicContact CG2-CD2 4.04Å; V400-Y405 HydrophobicContact CG2-CG 4.49Å
401	H	79.9	Confident	72	Confident	89 Å²	89	57.8 Å²	57.8	41%	0.412	33%	0.33	S	S	.	.			trans	-55.5	142.2	174.8	-161.7	-87.9	0	0	0	110.7	E403 Q404 Y405	H401-E403 VanDerWaalsContact C-N 3.26Å; H401-E403 IonicContact CE1-OE2 2.72Å; H401-E403 PolarHBondContact CE1-OE2 2.81Å; H401-E403 IonicContact CG-OE2 2.67Å; H401-E403 IonicContact ND1-OE2 3.72Å; H401-E403 PolarHBondContact ND1-OE2 3.44Å; H401-E403 PolarHBondContact O-N 2.92Å; H401-E403 VanDerWaalsContact O-N 3.1Å; H401-Q404 HydrophobicContact CB-CG 4.38Å; H401-Q404 WeakPolarHBondContact O-CB 3.47Å; H401-Q404 PolarHBondContact O-N 3.39Å; H401-Y405 PolarHBondContact O-N 2.87Å
402	P	85.4	Confident	74	Confident	2 Å²	2	54 Å²	54	1%	0.013	31%	0.312	C	S	.	.	H	α-helix	trans	-49.8	-40.2	-175.2	-31.6	36.3	0	0	0	115	K275 Y376 Q404 Y405 A406	K275-P402 HydrophobicContact CB-CG 4.36Å; Y376-P402 HydrophobicContact CD1-CG 4.37Å; Y376-P402 HydrophobicContact CG-CG 4.49Å; P402-Q404 PolarHBondContact O-N 3.34Å; P402-Y405 WeakPolarHBondContact O-CB 3.48Å; P402-Y405 PolarHBondContact O-N 2.84Å; P402-A406 WeakPolarHBondContact O-CB 3.47Å; P402-A406 PolarHBondContact O-N 3.44Å
403	E	89.3	Confident	76.5	Confident	96 Å²	96	52.3 Å²	52.3	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-64.9	-39.4	177.9	-76.2	75	175	0	0	112.3	V272 H401 K407	V272-E403 VanDerWaalsContact CG1-CD 3.45Å; V272-E403 HydrophobicContact CG1-CG 3.72Å; V272-E403 WeakPolarHBondContact CG1-OE1 3.43Å; H401-E403 VanDerWaalsContact C-N 3.26Å; H401-E403 IonicContact CE1-OE2 2.72Å; H401-E403 PolarHBondContact CE1-OE2 2.81Å; H401-E403 IonicContact CG-OE2 2.67Å; H401-E403 IonicContact ND1-OE2 3.72Å; H401-E403 PolarHBondContact ND1-OE2 3.44Å; H401-E403 PolarHBondContact O-N 2.92Å; H401-E403 VanDerWaalsContact O-N 3.1Å; E403-K407 WeakPolarHBondContact O-CB 3.08Å; E403-K407 PolarHBondContact O-N 3.15Å
404	Q	89.8	Confident	78.9	Confident	116 Å²	116	49.4 Å²	49.4	54%	0.542	27%	0.268	S	S	.	.	H	α-helix	trans	-70.9	-41.8	176.2	-66.9	178.2	-2	0	0	110.6	V400 H401 P402 K407 R408	V400-Q404 HydrophobicContact CB-CB 4.26Å; H401-Q404 HydrophobicContact CB-CG 4.38Å; H401-Q404 WeakPolarHBondContact O-CB 3.47Å; H401-Q404 PolarHBondContact O-N 3.39Å; P402-Q404 PolarHBondContact O-N 3.34Å; Q404-K407 PolarHBondContact O-N 3.02Å; Q404-R408 WeakPolarHBondContact O-CB 3.13Å; Q404-R408 PolarHBondContact O-N 2.92Å
405	Y	90.7	Very high	81.3	Confident	1 Å²	1	52.3 Å²	52.3	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-55.6	-52.9	172.9	-174.4	-88.2	0	0	0	110.7	D278 Y279 V400 H401 P402 K407 R408 F409	D278-Y405 WeakPolarHBondContact CA-OH 3.41Å; Y279-Y405 HydrophobicContact CD1-CD1 4.44Å; Y279-Y405 AromaticContact CD1-CE1 3.98Å; Y279-Y405 HydrophobicContact CD1-CE1 3.98Å; Y279-Y405 HydrophobicContact CD2-CE1 4.02Å; Y279-Y405 AromaticContact CE1-CD1 3.76Å; Y279-Y405 HydrophobicContact CE1-CD1 3.76Å; Y279-Y405 AromaticContact CE1-CE1 3.69Å; Y279-Y405 HydrophobicContact CE1-CE1 3.69Å; Y279-Y405 HydrophobicContact CE2-CD1 4.25Å; Y279-Y405 AromaticContact CE2-CE1 3.73Å; Y279-Y405 HydrophobicContact CE2-CE1 3.73Å; Y279-Y405 HydrophobicContact CG-CE1 4.14Å; Y279-Y405 AromaticContact CZ-CD1 3.65Å; Y279-Y405 AromaticContact CZ-CE1 3.56Å; Y279-Y405 PolarHBondContact O-OH 3.37Å; V400-Y405 HydrophobicContact CG2-CD2 4.04Å; V400-Y405 HydrophobicContact CG2-CG 4.49Å; H401-Y405 PolarHBondContact O-N 2.87Å; P402-Y405 WeakPolarHBondContact O-CB 3.48Å; P402-Y405 PolarHBondContact O-N 2.84Å; Y405-K407 PolarHBondContact O-N 2.86Å; Y405-R408 PolarHBondContact O-N 2.84Å; Y405-F409 HydrophobicContact CE1-CB 4.39Å; Y405-F409 VanDerWaalsContact O-CB 3.26Å; Y405-F409 WeakPolarHBondContact O-CB 3.47Å; Y405-F409 PolarHBondContact O-N 3Å
406	A	93.9	Very high	83.8	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-41.8	-179.7	0	0	0	0	0	113.1	V268 V272 P402 R410	V268-A406 HydrophobicContact CG1-CB 3.4Å; V272-A406 HydrophobicContact CG2-CB 3.32Å; P402-A406 WeakPolarHBondContact O-CB 3.47Å; P402-A406 PolarHBondContact O-N 3.44Å; A406-R410 WeakPolarHBondContact O-CB 3.5Å; A406-R410 VanDerWaalsContact O-CG 3.28Å; A406-R410 WeakPolarHBondContact O-CG 3.47Å; A406-R410 PolarHBondContact O-N 3.21Å; A406-R410 PolarHBondContact O-NE 3.46Å
407	K	94.7	Very high	86.1	Confident	129 Å²	129	45 Å²	45	56%	0.561	22%	0.217	S	C	*	.	H	α-helix	trans	-62.3	-52.7	175.5	-175.4	-179.8	177.8	-175.4	0	111	E403 Q404 Y405 F409 R410 D411	E403-K407 WeakPolarHBondContact O-CB 3.08Å; E403-K407 PolarHBondContact O-N 3.15Å; Q404-K407 PolarHBondContact O-N 3.02Å; Y405-K407 PolarHBondContact O-N 2.86Å; K407-F409 VanDerWaalsContact C-N 3.31Å; K407-F409 PolarHBondContact O-N 2.86Å; K407-R410 PolarHBondContact O-N 3.4Å; K407-D411 WeakPolarHBondContact O-CB 3.17Å; K407-D411 PolarHBondContact O-N 3.31Å
408	R	93.9	Very high	88	Confident	42 Å²	42	48.6 Å²	48.6	16%	0.158	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-45.7	178.7	-177.1	-171.3	68.2	-159.9	-2.6	111.7	G219 Q404 Y405 D411 F412	G219-R408 WeakPolarHBondContact O-CD 3.36Å; G219-R408 WeakPolarHBondContact O-CG 3.47Å; G219-R408 PolarHBondContact O-NE 3.17Å; Q404-R408 WeakPolarHBondContact O-CB 3.13Å; Q404-R408 PolarHBondContact O-N 2.92Å; Y405-R408 PolarHBondContact O-N 2.84Å; R408-D411 PolarHBondContact O-N 3.48Å; R408-F412 WeakPolarHBondContact O-CB 3.29Å; R408-F412 PolarHBondContact O-N 2.86Å
409	F	95.9	Very high	90	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.8	-53	178.4	177.1	-100.5	0	0	0	111.3	L264 V268 Y279 L281 L369 Y405 K407 D411 F412 I413	L264-F409 HydrophobicContact CD1-CE1 3.87Å; L264-F409 HydrophobicContact CD1-CZ 4.45Å; L264-F409 HydrophobicContact CD2-CE1 4.49Å; L264-F409 HydrophobicContact CG-CE1 4.42Å; V268-F409 HydrophobicContact CG2-CD1 3.88Å; V268-F409 HydrophobicContact CG2-CE1 3.85Å; Y279-F409 HydrophobicContact CD2-CE1 4.26Å; Y279-F409 HydrophobicContact CD2-CE2 4.37Å; Y279-F409 HydrophobicContact CD2-CZ 4.18Å; Y279-F409 AromaticContact CE2-CD1 3.7Å; Y279-F409 HydrophobicContact CE2-CD1 3.7Å; Y279-F409 HydrophobicContact CE2-CD2 4.32Å; Y279-F409 AromaticContact CE2-CE1 3.77Å; Y279-F409 HydrophobicContact CE2-CE1 3.77Å; Y279-F409 HydrophobicContact CE2-CE2 4.41Å; Y279-F409 AromaticContact CE2-CG 3.97Å; Y279-F409 HydrophobicContact CE2-CG 3.97Å; Y279-F409 HydrophobicContact CE2-CZ 4.14Å; L281-F409 HydrophobicContact CB-CE2 4.15Å; L281-F409 HydrophobicContact CB-CZ 3.89Å; L369-F409 HydrophobicContact CD2-CE1 3.76Å; L369-F409 HydrophobicContact CD2-CZ 3.47Å; L369-F409 VanDerWaalsContact CD2-CZ 3.47Å; Y405-F409 HydrophobicContact CE1-CB 4.39Å; Y405-F409 VanDerWaalsContact O-CB 3.26Å; Y405-F409 WeakPolarHBondContact O-CB 3.47Å; Y405-F409 PolarHBondContact O-N 3Å; K407-F409 VanDerWaalsContact C-N 3.31Å; K407-F409 PolarHBondContact O-N 2.86Å; F409-D411 PolarHBondContact O-N 2.6Å; F409-F412 PolarHBondContact O-N 3.12Å; F409-I413 HydrophobicContact CD1-CG1 4.45Å; F409-I413 HydrophobicContact CD2-CG1 4.38Å; F409-I413 HydrophobicContact CE1-CG1 4.18Å; F409-I413 HydrophobicContact CE2-CD1 4.3Å; F409-I413 HydrophobicContact CE2-CG1 4.08Å; F409-I413 HydrophobicContact CZ-CD1 4.47Å; F409-I413 HydrophobicContact CZ-CG1 3.98Å; F409-I413 WeakPolarHBondContact O-CG1 3.38Å; F409-I413 PolarHBondContact O-N 3.23Å
410	R	96.8	Very high	91.8	Very high	68 Å²	68	50 Å²	50	26%	0.257	25%	0.25	S	C	.	.	H	α-helix	trans	-60	-44.5	177.9	-72.8	-175.1	-71.9	178.8	0	112.9	N265 V268 A406 K407 F412 I413 S414	N265-R410 WeakPolarHBondContact OD1-CD 3.43Å; N265-R410 PolarHBondContact OD1-NH1 3.18Å; V268-R410 HydrophobicContact CB-CG 4.46Å; V268-R410 HydrophobicContact CG1-CG 4.15Å; V268-R410 HydrophobicContact CG2-CG 4.36Å; A406-R410 WeakPolarHBondContact O-CB 3.5Å; A406-R410 VanDerWaalsContact O-CG 3.28Å; A406-R410 WeakPolarHBondContact O-CG 3.47Å; A406-R410 PolarHBondContact O-N 3.21Å; A406-R410 PolarHBondContact O-NE 3.46Å; K407-R410 PolarHBondContact O-N 3.4Å; R410-F412 VanDerWaalsContact C-N 3.29Å; R410-F412 PolarHBondContact O-N 2.88Å; R410-I413 PolarHBondContact O-N 3.44Å; R410-S414 WeakPolarHBondContact O-CB 3.33Å; R410-S414 PolarHBondContact O-N 3Å
411	D	96.1	Very high	93.2	Very high	74 Å²	74	51.8 Å²	51.8	40%	0.396	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-40.7	179.1	-70.8	-13.5	0	0	0	111	K407 R408 F409 S414 K415	K407-D411 WeakPolarHBondContact O-CB 3.17Å; K407-D411 PolarHBondContact O-N 3.31Å; R408-D411 PolarHBondContact O-N 3.48Å; F409-D411 PolarHBondContact O-N 2.6Å; D411-S414 PolarHBondContact O-OG 3.41Å; D411-K415 WeakPolarHBondContact O-CD 3.48Å; D411-K415 WeakPolarHBondContact O-CG 3.46Å
412	F	95.9	Very high	93.9	Very high	30 Å²	30	49.6 Å²	49.6	13%	0.132	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-50.7	175.6	-179.8	-96.8	0	0	0	112.2	L217 G219 D240 R408 F409 R410 S414 K415 I416	L217-F412 HydrophobicContact CB-CE1 4.09Å; L217-F412 HydrophobicContact CD1-CE1 4.32Å; L217-F412 HydrophobicContact CD2-CE1 4.15Å; L217-F412 HydrophobicContact CD2-CZ 4.48Å; L217-F412 HydrophobicContact CG-CE1 4.41Å; G219-F412 VanDerWaalsContact CA-CB 3.45Å; D240-F412 HydrophobicContact CB-CE2 4.45Å; D240-F412 HydrophobicContact CB-CZ 3.96Å; R408-F412 WeakPolarHBondContact O-CB 3.29Å; R408-F412 PolarHBondContact O-N 2.86Å; F409-F412 PolarHBondContact O-N 3.12Å; R410-F412 VanDerWaalsContact C-N 3.29Å; R410-F412 PolarHBondContact O-N 2.88Å; F412-S414 VanDerWaalsContact C-N 3.27Å; F412-S414 PolarHBondContact O-N 2.74Å; F412-K415 WeakPolarHBondContact O-CB 3.46Å; F412-K415 PolarHBondContact O-N 3.16Å; F412-I416 HydrophobicContact CD1-CG2 4.24Å; F412-I416 HydrophobicContact CE1-CG2 3.95Å; F412-I416 HydrophobicContact CZ-CG2 4.47Å; F412-I416 PolarHBondContact O-N 2.94Å
413	I	97.4	Very high	94.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-37.8	-179.5	-62.7	-54.7	0	0	0	111.1	L217 F260 M261 L264 L281 F409 R410 K415 I416 F417	L217-I413 HydrophobicContact CB-CD1 4.1Å; L217-I413 HydrophobicContact CD1-CD1 4.33Å; F260-I413 HydrophobicContact CE1-CG2 3.88Å; M261-I413 HydrophobicContact SD-CG2 4.26Å; L264-I413 HydrophobicContact CD2-CB 3.93Å; L264-I413 HydrophobicContact CD2-CG1 4.41Å; L264-I413 HydrophobicContact CD2-CG2 3.6Å; L281-I413 HydrophobicContact CB-CD1 3.87Å; L281-I413 HydrophobicContact CD2-CD1 3.67Å; L281-I413 HydrophobicContact CD2-CG1 4.35Å; L281-I413 HydrophobicContact CD2-CG2 4.08Å; L281-I413 HydrophobicContact CG-CD1 4.4Å; F409-I413 HydrophobicContact CD1-CG1 4.45Å; F409-I413 HydrophobicContact CD2-CG1 4.38Å; F409-I413 HydrophobicContact CE1-CG1 4.18Å; F409-I413 HydrophobicContact CE2-CD1 4.3Å; F409-I413 HydrophobicContact CE2-CG1 4.08Å; F409-I413 HydrophobicContact CZ-CD1 4.47Å; F409-I413 HydrophobicContact CZ-CG1 3.98Å; F409-I413 WeakPolarHBondContact O-CG1 3.38Å; F409-I413 PolarHBondContact O-N 3.23Å; R410-I413 PolarHBondContact O-N 3.44Å; I413-K415 PolarHBondContact O-N 2.98Å; I413-K415 VanDerWaalsContact O-N 3.07Å; I413-I416 HydrophobicContact CD1-CD1 4.34Å; I413-I416 HydrophobicContact CG2-CD1 4.12Å; I413-I416 VanDerWaalsContact O-CG1 3.27Å; I413-I416 WeakPolarHBondContact O-CG1 3.3Å; I413-I416 PolarHBondContact O-N 3.11Å; I413-I416 VanDerWaalsContact O-N 3.15Å; I413-F417 HydrophobicContact CG2-CE2 4.29Å; I413-F417 WeakPolarHBondContact O-CD2 3.5Å
414	S	96.9	Very high	94.8	Very high	43 Å²	43	49.7 Å²	49.7	30%	0.301	25%	0.251	S	S	.	.	H	α-helix	trans	-58.5	-26	175.8	77.2	0	0	0	0	113.9	R410 D411 F412	R410-S414 WeakPolarHBondContact O-CB 3.33Å; R410-S414 PolarHBondContact O-N 3Å; D411-S414 PolarHBondContact O-OG 3.41Å; F412-S414 VanDerWaalsContact C-N 3.27Å; F412-S414 PolarHBondContact O-N 2.74Å
415	K	95.8	Very high	95.2	Very high	142 Å²	142	45 Å²	45	62%	0.617	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-7.8	-177	-65.5	169.5	-174.8	174.4	0	113.8	K249 D411 F412 I413 F417	K249-K415 PolarHBondContact NZ-O 2.99Å; D411-K415 WeakPolarHBondContact O-CD 3.48Å; D411-K415 WeakPolarHBondContact O-CG 3.46Å; F412-K415 WeakPolarHBondContact O-CB 3.46Å; F412-K415 PolarHBondContact O-N 3.16Å; I413-K415 PolarHBondContact O-N 2.98Å; I413-K415 VanDerWaalsContact O-N 3.07Å; K415-F417 VanDerWaalsContact C-N 3.27Å
416	I	96.4	Very high	95.5	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-24.6	177.1	81.4	-173.1	0	0	0	111.6	L217 F243 K249 V250 L281 F412 I413	L217-I416 HydrophobicContact CD1-CD1 4.25Å; L217-I416 HydrophobicContact CD1-CG2 4.35Å; F243-I416 HydrophobicContact CE1-CB 3.82Å; F243-I416 HydrophobicContact CE1-CG2 3.94Å; F243-I416 HydrophobicContact CZ-CB 3.7Å; F243-I416 HydrophobicContact CZ-CG2 4.17Å; K249-I416 WeakPolarHBondContact CA-O 3.46Å; K249-I416 WeakPolarHBondContact CD-O 3.17Å; V250-I416 HydrophobicContact CB-CG1 4.49Å; V250-I416 HydrophobicContact CG2-CD1 4.26Å; V250-I416 HydrophobicContact CG2-CG1 4.11Å; V250-I416 PolarHBondContact N-O 2.83Å; L281-I416 HydrophobicContact CD2-CD1 4.25Å; F412-I416 HydrophobicContact CD1-CG2 4.24Å; F412-I416 HydrophobicContact CE1-CG2 3.95Å; F412-I416 HydrophobicContact CZ-CG2 4.47Å; F412-I416 PolarHBondContact O-N 2.94Å; I413-I416 HydrophobicContact CD1-CD1 4.34Å; I413-I416 HydrophobicContact CG2-CD1 4.12Å; I413-I416 VanDerWaalsContact O-CG1 3.27Å; I413-I416 WeakPolarHBondContact O-CG1 3.3Å; I413-I416 PolarHBondContact O-N 3.11Å; I413-I416 VanDerWaalsContact O-N 3.15Å
417	F	96.8	Very high	95.7	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.026	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-70.7	146.9	175.2	-60.8	-77.9	0	0	0	111	K249 V250 V252 K257 F260 M261 M367 I413 K415	K249-F417 PolarHBondContact NZ-O 2.85Å; V250-F417 HydrophobicContact CB-CD1 3.82Å; V250-F417 HydrophobicContact CB-CE1 4.08Å; V250-F417 HydrophobicContact CG1-CD1 3.67Å; V250-F417 HydrophobicContact CG1-CE1 3.58Å; V250-F417 WeakPolarHBondContact O-CA 3.15Å; V252-F417 HydrophobicContact CG2-CD1 3.6Å; V252-F417 HydrophobicContact CG2-CE1 3.77Å; K257-F417 HydrophobicContact CD-CB 3.88Å; K257-F417 HydrophobicContact CD-CD2 4.38Å; K257-F417 HydrophobicContact CD-CG 4.05Å; K257-F417 HydrophobicContact CG-CB 4.4Å; K257-F417 HydrophobicContact CG-CD1 4.36Å; K257-F417 HydrophobicContact CG-CD2 4.08Å; K257-F417 HydrophobicContact CG-CE2 4.49Å; K257-F417 HydrophobicContact CG-CG 4.01Å; F260-F417 AromaticContact CD1-CE2 3.97Å; F260-F417 HydrophobicContact CD1-CE2 3.97Å; F260-F417 AromaticContact CD1-CZ 3.56Å; F260-F417 HydrophobicContact CD1-CZ 3.56Å; F260-F417 HydrophobicContact CE1-CE2 4.12Å; F260-F417 AromaticContact CE1-CZ 3.79Å; F260-F417 HydrophobicContact CE1-CZ 3.79Å; F260-F417 HydrophobicContact CG-CZ 4.19Å; M261-F417 HydrophobicContact SD-CE2 4.17Å; M367-F417 HydrophobicContact CE-CE1 4.24Å; M367-F417 HydrophobicContact CE-CZ 4.41Å; M367-F417 HydrophobicContact SD-CZ 4.43Å; I413-F417 HydrophobicContact CG2-CE2 4.29Å; I413-F417 WeakPolarHBondContact O-CD2 3.5Å; K415-F417 VanDerWaalsContact C-N 3.27Å
418	A	91.5	Very high	95.8	Very high	91 Å²	91	45.4 Å²	45.4	75%	0.752	24%	0.241	S	C	*	.			trans	-73.7	0	174.3	0	0	0	0	0	112	K249 V250 Y251	K249-A418 HydrophobicContact CB-CB 4.27Å; V250-A418 PolarHBondContact O-N 3.15Å; Y251-A418 HydrophobicContact CD1-CB 3.33Å; Y251-A418 HydrophobicContact CE1-CB 3.38Å; Y251-A418 HydrophobicContact CG-CB 4.06Å

Retrieved 418 of 418 residues in 608.6 ms (Link to these results)

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