A0A077Z7J8_TRITR Loading...

type I protein arginine methyltransferase

AlphaFold DB , UniProt , Accession A0A077Z7J8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 590 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	30.6	Very low	25.1	Very low	246 Å²	246	145.1 Å²	145.1	100%	1.212	81%	0.811	S	S	*	*				0	137.7	0	-67.8	-165.7	-150.1	0	0	107.6
2	A	25.9	Very low	26	Very low	110 Å²	110	140.3 Å²	140.3	91%	0.909	78%	0.78	S	S	*	*			trans	-33.1	153	-176.1	0	0	0	0	0	116.4
3	G	25.3	Very low	26.3	Very low	65 Å²	65	137.8 Å²	137.8	67%	0.67	77%	0.77	S	S	*	*			cis	172.8	158	11.2	0	0	0	0	0	108.7
4	D	23.6	Very low	27	Very low	163 Å²	163	129.8 Å²	129.8	87%	0.872	73%	0.734	S	S	*	*			trans	34.8	94.7	155.1	-57.7	-22.9	0	0	0	119.1	A6	D4-A6 PolarHBondContact O-N 3.24Å
5	R	24.6	Very low	27.3	Very low	250 Å²	250	130.5 Å²	130.5	94%	0.943	73%	0.729	S	S	*	*			trans	-81.1	93.9	151.9	-82.6	-174.5	175.8	178.9	-1	108.6	V7	R5-V7 PolarHBondContact O-N 3.42Å
6	A	24.3	Very low	27.8	Very low	73 Å²	73	127.6 Å²	127.6	60%	0.603	71%	0.71	S	S	*	*			trans	-59.8	127.6	166.3	0	0	0	0	0	110.1	D4 F8	D4-A6 PolarHBondContact O-N 3.24Å; A6-F8 PolarHBondContact O-N 2.97Å
7	V	22.9	Very low	28.1	Very low	137 Å²	137	124 Å²	124	83%	0.83	70%	0.696	S	S	*	*			trans	-67.4	104.2	170	175.5	0	0	0	0	107.6	R5 Q9	R5-V7 PolarHBondContact O-N 3.42Å; V7-Q9 PolarHBondContact O-N 3.18Å
8	F	22.6	Very low	28.4	Very low	192 Å²	192	123.3 Å²	123.3	84%	0.842	70%	0.698	S	S	*	*			trans	-77.2	102	169.1	-87.2	-88.6	0	0	0	108.8	A6	A6-F8 PolarHBondContact O-N 2.97Å
9	Q	23.5	Very low	28.6	Very low	163 Å²	163	123.9 Å²	123.9	76%	0.762	70%	0.699	S	S	*	*			trans	-64.1	137.3	164.2	-95.9	174.7	-25.5	0	0	109.7	V7	V7-Q9 PolarHBondContact O-N 3.18Å
10	S	25.4	Very low	28.8	Very low	94 Å²	94	122.9 Å²	122.9	66%	0.657	69%	0.691	S	S	*	*			trans	-39	131	-174.6	56.5	0	0	0	0	115.9
11	V	27.7	Very low	28.8	Very low	103 Å²	103	124.6 Å²	124.6	62%	0.624	70%	0.698	S	S	*	*			trans	-108.6	116.9	165.4	178.1	0	0	0	0	107.8	L102	V11-L102 HydrophobicContact CG1-CB 4.39Å; V11-L102 HydrophobicContact CG1-CD1 3.64Å
12	M	35.5	Very low	29	Very low	88 Å²	88	117.4 Å²	117.4	43%	0.433	66%	0.663	S	S	.	*			trans	-91.7	136.1	170.7	-90.6	-154.2	-125.3	0	0	110.4
13	V	30.1	Very low	29.1	Very low	107 Å²	107	118.2 Å²	118.2	65%	0.648	65%	0.648	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.5	117.5	178.2	-179.8	0	0	0	0	108.7	L102	V13-L102 HydrophobicContact CG1-CD2 4.44Å; V13-L102 HydrophobicContact CG2-CD2 4.46Å
14	G	35.9	Very low	29.6	Very low	26 Å²	26	119 Å²	119	27%	0.268	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.5	132.9	171	0	0	0	0	0	111.6
15	Q	31.1	Very low	30	Very low	141 Å²	141	118.5 Å²	118.5	66%	0.659	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.8	134	166	-98.9	-173.9	-21.3	0	0	110
16	I	35.8	Very low	30.7	Very low	83 Å²	83	110.6 Å²	110.6	43%	0.426	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-88.4	126.7	173.7	-58	174.9	0	0	0	108.8	L20	I16-L20 HydrophobicContact CG2-CB 4.2Å; I16-L20 HydrophobicContact CG2-CD2 4.29Å
17	S	33.2	Very low	31.5	Very low	67 Å²	67	112.2 Å²	112.2	47%	0.469	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-61.8	143.8	176.1	172.9	0	0	0	0	112	D19 L20	S17-D19 PolarHBondContact O-N 2.86Å; S17-D19 VanDerWaalsContact O-N 3.15Å; S17-D19 PolarHBondContact OG-N 3.29Å; S17-L20 PolarHBondContact O-N 3.17Å
18	P	33.7	Very low	32.5	Very low	112 Å²	112	108.3 Å²	108.3	73%	0.727	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-11.2	176.6	26.1	-33.5	0	0	0	114.8
19	D	31	Very low	33.7	Very low	134 Å²	134	99.3 Å²	99.3	72%	0.717	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	6.6	-179.7	-61.7	-36.9	0	0	0	113.8	S17 N21	S17-D19 PolarHBondContact O-N 2.86Å; S17-D19 VanDerWaalsContact O-N 3.15Å; S17-D19 PolarHBondContact OG-N 3.29Å; D19-N21 PolarHBondContact O-N 3.23Å
20	L	33.7	Very low	34.7	Very low	103 Å²	103	95 Å²	95	54%	0.539	52%	0.52	S	S	.	.			trans	-83.7	89.9	169.8	-142.7	84.6	0	0	0	108.8	I16 S17 M22	I16-L20 HydrophobicContact CG2-CB 4.2Å; I16-L20 HydrophobicContact CG2-CD2 4.29Å; S17-L20 PolarHBondContact O-N 3.17Å; L20-M22 VanDerWaalsContact C-N 3.26Å; L20-M22 PolarHBondContact O-N 3.48Å
21	N	29.2	Very low	35.8	Very low	159 Å²	159	91.8 Å²	91.8	85%	0.85	50%	0.495	S	S	*	.			trans	-55.5	96.2	162.1	-100.9	-22.3	0	0	0	108	D19 E23	D19-N21 PolarHBondContact O-N 3.23Å; N21-E23 PolarHBondContact O-N 3.37Å
22	M	33.9	Very low	36.6	Very low	95 Å²	95	93.4 Å²	93.4	47%	0.468	49%	0.49	S	S	.	.			trans	-63.8	80.7	162.7	-95.3	173.7	58	0	0	107.3	L20 L24	L20-M22 VanDerWaalsContact C-N 3.26Å; L20-M22 PolarHBondContact O-N 3.48Å; M22-L24 HydrophobicContact CB-CG 4.28Å; M22-L24 HydrophobicContact CE-CD1 3.29Å; M22-L24 HydrophobicContact CE-CD2 3.92Å; M22-L24 HydrophobicContact CE-CG 3.64Å; M22-L24 PolarHBondContact O-N 3.24Å
23	E	28.4	Very low	37.1	Very low	128 Å²	128	90.1 Å²	90.1	60%	0.598	48%	0.475	S	S	*	.			trans	-70.4	79.4	158.2	-98.7	-160.8	130.4	0	0	107.8	N21 K25	N21-E23 PolarHBondContact O-N 3.37Å; E23-K25 PolarHBondContact O-N 2.69Å; E23-K25 IonicContact OE1-NZ 3.93Å; E23-K25 PolarHBondContact OE1-NZ 3.18Å
24	L	35.9	Very low	37.5	Very low	82 Å²	82	86.6 Å²	86.6	43%	0.429	46%	0.457	S	S	.	.			trans	-68.1	81.3	167.5	-77.4	165.6	0	0	0	108.8	M22 F117	M22-L24 HydrophobicContact CB-CG 4.28Å; M22-L24 HydrophobicContact CE-CD1 3.29Å; M22-L24 HydrophobicContact CE-CD2 3.92Å; M22-L24 HydrophobicContact CE-CG 3.64Å; M22-L24 PolarHBondContact O-N 3.24Å; L24-F117 HydrophobicContact CD2-CD1 4.23Å; L24-F117 HydrophobicContact CD2-CD2 3.89Å; L24-F117 HydrophobicContact CD2-CE1 4.3Å; L24-F117 HydrophobicContact CD2-CE2 3.96Å; L24-F117 HydrophobicContact CD2-CG 4.02Å; L24-F117 HydrophobicContact CD2-CZ 4.17Å
25	K	32.1	Very low	37.4	Very low	151 Å²	151	88.6 Å²	88.6	66%	0.657	46%	0.458	S	S	*	.			trans	-118.5	93	170.8	-74.2	178.2	178.7	161	0	109.6	E23	E23-K25 PolarHBondContact O-N 2.69Å; E23-K25 IonicContact OE1-NZ 3.93Å; E23-K25 PolarHBondContact OE1-NZ 3.18Å
26	S	39.1	Very low	37.8	Very low	84 Å²	84	86.6 Å²	86.6	59%	0.587	46%	0.46	S	S	*	.			trans	13.9	130	162.7	72	0	0	0	0	120.9
27	K	40.9	Very low	38	Very low	108 Å²	108	84.9 Å²	84.9	47%	0.47	45%	0.453	S	S	.	.	S	Bend		172.6	-22.6	92.4	-99.3	-168.7	178	-174.9	0	111.5
28	N	42.9	Very low	38.1	Very low	55 Å²	55	84.7 Å²	84.7	29%	0.294	45%	0.446	S	S	.	.	S	Bend	trans	-110.1	137.9	169.3	-67.7	-3.6	0	0	0	109.4	I30 D241	N28-I30 HydrophobicContact CB-CD1 4.04Å; N28-I30 HydrophobicContact CB-CG1 3.99Å; N28-I30 PolarHBondContact O-N 2.83Å; N28-D241 WeakPolarHBondContact ND2-CB 3.36Å; N28-D241 PolarHBondContact ND2-O 3.26Å
29	A	49.4	Very low	38.1	Very low	2 Å²	2	84.8 Å²	84.8	2%	0.017	44%	0.44	C	S	.	.			trans	-77.3	63.5	-177.3	0	0	0	0	0	110.8	L77 C121	A29-L77 HydrophobicContact CB-CB 3.66Å; A29-L77 HydrophobicContact CB-CD1 4.25Å; A29-L77 HydrophobicContact CB-CG 4.28Å; A29-L77 WeakPolarHBondContact O-CB 3.47Å; A29-L77 VanDerWaalsContact O-CG 3.22Å; A29-L77 WeakPolarHBondContact O-CG 3.36Å; A29-L77 PolarHBondContact O-N 3.26Å; A29-C121 HydrophobicContact CB-CB 3.69Å
30	I	43.6	Very low	38.1	Very low	73 Å²	73	80.6 Å²	80.6	37%	0.374	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120	179.9	-56.6	177.3	0	0	0	108.5	N28 F74 V75	N28-I30 HydrophobicContact CB-CD1 4.04Å; N28-I30 HydrophobicContact CB-CG1 3.99Å; N28-I30 PolarHBondContact O-N 2.83Å; I30-F74 HydrophobicContact CG2-CB 3.58Å; I30-F74 HydrophobicContact CG2-CD1 3.57Å; I30-F74 HydrophobicContact CG2-CG 3.99Å; I30-V75 WeakPolarHBondContact CA-O 3.27Å
31	I	49.2	Very low	37.8	Very low	27 Å²	27	79.5 Å²	79.5	14%	0.138	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.2	177.2	-58.3	169.8	0	0	0	109.9	V33 V75 L77 F103 F114	I31-V33 HydrophobicContact CB-CG2 4.48Å; I31-V33 HydrophobicContact CG2-CG2 4.01Å; I31-V75 PolarHBondContact N-O 2.98Å; I31-V75 PolarHBondContact O-N 3.05Å; I31-L77 HydrophobicContact CD1-CD1 3.23Å; I31-L77 HydrophobicContact CD1-CD2 4.36Å; I31-L77 HydrophobicContact CD1-CG 4.1Å; I31-L77 HydrophobicContact CG1-CD1 3.78Å; I31-L77 HydrophobicContact CG1-CG 4.44Å; I31-F103 HydrophobicContact CD1-CE1 4.02Å; I31-F103 HydrophobicContact CD1-CE2 4.12Å; I31-F103 HydrophobicContact CD1-CZ 3.5Å; I31-F103 VanDerWaalsContact CD1-CZ 3.5Å; I31-F103 HydrophobicContact CG2-CE1 3.98Å; I31-F103 HydrophobicContact CG2-CZ 4.29Å; I31-F114 HydrophobicContact CD1-CE2 3.47Å; I31-F114 VanDerWaalsContact CD1-CE2 3.47Å; I31-F114 HydrophobicContact CD1-CZ 3.58Å; I31-F114 HydrophobicContact CG1-CE2 4.46Å
32	R	43.7	Very low	37.7	Very low	137 Å²	137	78.1 Å²	78.1	52%	0.517	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.7	166.9	-101.7	-173.1	153.5	171.2	-6.7	110	V72 F74	R32-V72 HydrophobicContact CB-CG1 4.02Å; R32-V72 HydrophobicContact CG-CG1 3.61Å; R32-F74 HydrophobicContact CG-CD1 4.25Å; R32-F74 HydrophobicContact CG-CE1 3.78Å; R32-F74 HydrophobicContact CG-CZ 4.4Å
33	V	45.3	Very low	37.6	Very low	19 Å²	19	80.3 Å²	80.3	12%	0.115	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.1	175.8	-165.4	0	0	0	0	109.7	I31 V37 G73	I31-V33 HydrophobicContact CB-CG2 4.48Å; I31-V33 HydrophobicContact CG2-CG2 4.01Å; V33-V37 HydrophobicContact CG1-CB 3.71Å; V33-V37 HydrophobicContact CG1-CG1 3.82Å; V33-V37 HydrophobicContact CG1-CG2 3.96Å; V33-G73 PolarHBondContact N-O 3.06Å; V33-G73 PolarHBondContact O-N 3.02Å
34	A	39	Very low	37.6	Very low	33 Å²	33	83.2 Å²	83.2	27%	0.273	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	137.3	174.2	0	0	0	0	0	110.8	S36 V37 I70	A34-S36 PolarHBondContact O-N 3.17Å; A34-S36 VanDerWaalsContact O-N 3.17Å; A34-V37 VanDerWaalsContact O-CB 3.24Å; A34-V37 WeakPolarHBondContact O-CB 3.39Å; A34-V37 WeakPolarHBondContact O-CG2 3.49Å; A34-V37 PolarHBondContact O-N 3.04Å; A34-I70 HydrophobicContact CB-CG2 3.91Å
35	K	35.2	Very low	37.1	Very low	67 Å²	67	88.7 Å²	88.7	29%	0.291	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-64.5	-21.2	-174.1	-147	175.1	-170.5	171.3	0	114.2	V37 L38 I39 D71	K35-V37 PolarHBondContact O-N 3.11Å; K35-V37 VanDerWaalsContact O-N 3.11Å; K35-L38 PolarHBondContact O-N 3.42Å; K35-I39 HydrophobicContact CG-CD1 4.25Å; K35-I39 HydrophobicContact CG-CG1 4.48Å; K35-I39 PolarHBondContact O-N 2.87Å; K35-D71 HydrophobicContact CB-CB 4.07Å; K35-D71 WeakPolarHBondContact CB-O 3.38Å; K35-D71 HydrophobicContact CD-CB 3.93Å; K35-D71 VanDerWaalsContact CD-CG 3.43Å; K35-D71 WeakPolarHBondContact CD-OD2 3.33Å; K35-D71 WeakPolarHBondContact CE-OD2 3.24Å; K35-D71 PolarHBondContact N-O 2.88Å; K35-D71 IonicContact NZ-OD1 3.64Å; K35-D71 IonicContact NZ-OD2 2.79Å; K35-D71 PolarHBondContact NZ-OD2 3.47Å
36	S	37.9	Very low	36.8	Very low	100 Å²	100	85 Å²	85	70%	0.699	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-59.2	-18	169.2	54.1	0	0	0	0	113.3	A34	A34-S36 PolarHBondContact O-N 3.17Å; A34-S36 VanDerWaalsContact O-N 3.17Å
37	V	40.8	Very low	36.1	Very low	47 Å²	47	89.9 Å²	89.9	29%	0.285	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-86.7	-14.7	174.3	-173.8	0	0	0	0	112.1	V33 A34 K35	V33-V37 HydrophobicContact CG1-CB 3.71Å; V33-V37 HydrophobicContact CG1-CG1 3.82Å; V33-V37 HydrophobicContact CG1-CG2 3.96Å; A34-V37 VanDerWaalsContact O-CB 3.24Å; A34-V37 WeakPolarHBondContact O-CB 3.39Å; A34-V37 WeakPolarHBondContact O-CG2 3.49Å; A34-V37 PolarHBondContact O-N 3.04Å; K35-V37 PolarHBondContact O-N 3.11Å; K35-V37 VanDerWaalsContact O-N 3.11Å
38	L	35.5	Very low	35.4	Very low	62 Å²	62	92.7 Å²	92.7	33%	0.325	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-23.3	-171.1	-74.1	164.1	0	0	0	114.4	K35 V75	K35-L38 PolarHBondContact O-N 3.42Å; L38-V75 HydrophobicContact CD2-CG2 4.38Å
39	I	33.5	Very low	34.6	Very low	115 Å²	115	95.4 Å²	95.4	59%	0.59	55%	0.552	S	S	*	*			trans	-98.2	120.2	-170.5	-53.8	175.8	0	0	0	111.9	K35	K35-I39 HydrophobicContact CG-CD1 4.25Å; K35-I39 HydrophobicContact CG-CG1 4.48Å; K35-I39 PolarHBondContact O-N 2.87Å
40	G	30.1	Very low	33.4	Very low	45 Å²	45	102.5 Å²	102.5	46%	0.464	59%	0.589	S	S	.	*			trans	-143.8	89.2	164.1	0	0	0	0	0	108.5	R99	G40-R99 PolarHBondContact O-NH2 2.77Å
41	A	27.8	Very low	32.5	Very low	80 Å²	80	108 Å²	108	66%	0.661	61%	0.614	S	S	*	*			trans	-136.5	146.3	163.1	0	0	0	0	0	107.1
42	P	27.6	Very low	31.3	Very low	131 Å²	131	114.6 Å²	114.6	85%	0.851	65%	0.648	S	S	*	*			trans	-69.9	144.5	-160.4	29.5	-33.8	0	0	0	112.3
43	T	31.2	Very low	30.5	Very low	141 Å²	141	113 Å²	113	87%	0.865	66%	0.658	S	S	*	*			trans	-63.7	132.3	176.6	46.1	0	0	0	0	112.4
44	E	28.4	Very low	29.5	Very low	189 Å²	189	118.2 Å²	118.2	88%	0.883	70%	0.695	S	S	*	*			trans	-106.8	122.4	147.2	-85	-171.9	167.1	0	0	109.1
45	E	26.5	Very low	28.8	Very low	197 Å²	197	120.9 Å²	120.9	92%	0.921	71%	0.712	S	S	*	*	S	Bend	trans	47.9	112.1	156.1	-58.9	-168.8	160.1	0	0	120.7
46	G	25.3	Very low	28.3	Very low	74 Å²	74	121.9 Å²	121.9	76%	0.763	74%	0.741	S	S	*	*			trans	143.5	85.8	149.2	0	0	0	0	0	115.7
47	M	24.1	Very low	27.6	Very low	185 Å²	185	122.2 Å²	122.2	91%	0.911	74%	0.739	S	S	*	*			trans	47.4	106.4	153.9	-63.8	-160.7	170.2	0	0	118.9
48	I	26.9	Very low	26.9	Very low	168 Å²	168	127 Å²	127	86%	0.862	76%	0.761	S	S	*	*				-159.2	132.5	125.2	-85.5	135.7	0	0	0	107.1
49	S	24.7	Very low	26.4	Very low	112 Å²	112	127.3 Å²	127.3	78%	0.783	77%	0.769	S	S	*	*			trans	-62.2	128.6	-176.5	47.6	0	0	0	0	113.7
50	N	24.6	Very low	26	Very low	150 Å²	150	129.1 Å²	129.1	80%	0.802	78%	0.778	S	S	*	*			trans	-82.4	105.7	168.4	-83.6	-30.7	0	0	0	110.7	L52	N50-L52 HydrophobicContact CB-CD1 4.42Å
51	E	26.1	Very low	25.8	Very low	190 Å²	190	134.1 Å²	134.1	89%	0.888	79%	0.789	S	S	*	*			trans	-99.3	104.9	146.6	-84.1	-168	160.7	0	0	108.2	S53	E51-S53 PolarHBondContact O-N 2.94Å
52	L	24.2	Very low	25.7	Very low	165 Å²	165	135.1 Å²	135.1	86%	0.864	79%	0.788	S	S	*	*			trans	-68.3	109	167.2	-84.9	100.2	0	0	0	108.7	N50	N50-L52 HydrophobicContact CB-CD1 4.42Å
53	S	25.9	Very low	25.6	Very low	103 Å²	103	136.9 Å²	136.9	72%	0.72	79%	0.791	S	S	*	*			trans	-105	137.9	157.7	70.7	0	0	0	0	110.3	E51 S55	E51-S53 PolarHBondContact O-N 2.94Å; S53-S55 PolarHBondContact O-N 3.09Å
54	S	24.9	Very low	25.5	Very low	128 Å²	128	134.7 Å²	134.7	90%	0.895	78%	0.782	S	S	*	*	S	Bend	trans	-73.6	76.2	-170.7	49.6	0	0	0	0	112.7
55	S	24.6	Very low	25.4	Very low	90 Å²	90	132.1 Å²	132.1	63%	0.629	78%	0.784	S	S	*	*			trans	-175.1	105.7	158.8	40.1	0	0	0	0	108.7	S53 V57	S53-S55 PolarHBondContact O-N 3.09Å; S55-V57 VanDerWaalsContact C-N 3.35Å; S55-V57 PolarHBondContact O-N 3.42Å
56	G	24.2	Very low	25.3	Very low	88 Å²	88	126 Å²	126	91%	0.907	77%	0.767	S	S	*	*			trans	-69.4	85.8	179.1	0	0	0	0	0	112.1
57	V	23.6	Very low	25.4	Very low	107 Å²	107	128.4 Å²	128.4	65%	0.648	77%	0.773	S	S	*	*			trans	-144.7	112.6	170.4	-176.9	0	0	0	0	109	S55 S59	S55-V57 VanDerWaalsContact C-N 3.35Å; S55-V57 PolarHBondContact O-N 3.42Å; V57-S59 PolarHBondContact O-N 2.75Å
58	I	25.3	Very low	25.6	Very low	148 Å²	148	125.2 Å²	125.2	76%	0.759	76%	0.763	S	S	*	*			trans	-84.1	107.7	163.7	-63.4	173.2	0	0	0	106.7	I60	I58-I60 HydrophobicContact CG2-CG1 4.13Å
59	S	24.1	Very low	25.6	Very low	68 Å²	68	122.9 Å²	122.9	48%	0.476	76%	0.759	S	S	.	*			trans	-98.9	120	169.2	-177	0	0	0	0	108.5	V57	V57-S59 PolarHBondContact O-N 2.75Å
60	I	26.8	Very low	25.9	Very low	153 Å²	153	123.9 Å²	123.9	79%	0.785	75%	0.754	S	S	*	*			trans	-100.4	103.9	170.3	-53.5	178.2	0	0	0	107.2	I58	I58-I60 HydrophobicContact CG2-CG1 4.13Å
61	H	24.5	Very low	26.4	Very low	149 Å²	149	121.1 Å²	121.1	69%	0.69	74%	0.739	S	S	*	*			trans	-79	133.7	172.4	-88.4	-81.7	0	0	0	110.6	N63	H61-N63 PolarHBondContact O-N 3.35Å
62	P	25.8	Very low	26.9	Very low	101 Å²	101	114.7 Å²	114.7	66%	0.656	71%	0.713	S	S	*	*	S	Bend	trans	-82.1	85.8	173.3	32.9	-28.4	0	0	0	108.1
63	N	25.5	Very low	27.6	Very low	168 Å²	168	107.5 Å²	107.5	90%	0.898	68%	0.679	S	S	*	*			trans	-161.8	30.2	164.6	-99.1	-13.9	0	0	0	113.1	H61	H61-N63 PolarHBondContact O-N 3.35Å
64	S	29	Very low	28.6	Very low	96 Å²	96	107.5 Å²	107.5	67%	0.671	67%	0.666	S	S	*	*			trans	-112.8	115.4	167.1	64.7	0	0	0	0	110.2	A66	S64-A66 PolarHBondContact O-N 3.39Å
65	S	26.1	Very low	29.9	Very low	134 Å²	134	102.1 Å²	102.1	94%	0.937	63%	0.627	S	S	*	*			trans	-65.4	74.7	169.3	52.7	0	0	0	0	110.8
66	A	26	Very low	31.4	Very low	68 Å²	68	99.8 Å²	99.8	56%	0.562	61%	0.611	S	S	*	*			trans	-153.9	102.7	166.7	0	0	0	0	0	107.8	S64 V68	S64-A66 PolarHBondContact O-N 3.39Å; A66-V68 PolarHBondContact O-N 2.78Å
67	S	27.2	Very low	33.2	Very low	126 Å²	126	95.9 Å²	95.9	88%	0.881	57%	0.569	S	S	*	*			trans	-73.5	91.2	175.6	52	0	0	0	0	109.8
68	V	27	Very low	34.9	Very low	118 Å²	118	94.3 Å²	94.3	72%	0.715	56%	0.558	S	S	*	*			trans	-86.9	125.7	164.9	-177	0	0	0	0	107.7	A66 I70	A66-V68 PolarHBondContact O-N 2.78Å; V68-I70 PolarHBondContact O-N 3.09Å
69	P	27.8	Very low	36.6	Very low	119 Å²	119	93 Å²	93	77%	0.773	55%	0.552	S	S	*	*			trans	-65.7	122.9	177.7	22.8	-26.8	0	0	0	109.9	D71	P69-D71 PolarHBondContact O-N 3.04Å
70	I	31.6	Very low	38.8	Very low	132 Å²	132	89.8 Å²	89.8	68%	0.677	53%	0.529	S	S	*	.			trans	-76.5	108.8	174.5	-59	172.5	0	0	0	107.2	A34 V68 V72	A34-I70 HydrophobicContact CB-CG2 3.91Å; V68-I70 PolarHBondContact O-N 3.09Å; I70-V72 WeakPolarHBondContact O-CG2 3.39Å; I70-V72 PolarHBondContact O-N 3.28Å
71	D	33.2	Very low	41.1	Very low	92 Å²	92	86.2 Å²	86.2	49%	0.492	51%	0.512	S	S	.	.			trans	-70.3	123.9	173	-155.9	-5.4	0	0	0	108.6	K35 P69	K35-D71 HydrophobicContact CB-CB 4.07Å; K35-D71 WeakPolarHBondContact CB-O 3.38Å; K35-D71 HydrophobicContact CD-CB 3.93Å; K35-D71 VanDerWaalsContact CD-CG 3.43Å; K35-D71 WeakPolarHBondContact CD-OD2 3.33Å; K35-D71 WeakPolarHBondContact CE-OD2 3.24Å; K35-D71 PolarHBondContact N-O 2.88Å; K35-D71 IonicContact NZ-OD1 3.64Å; K35-D71 IonicContact NZ-OD2 2.79Å; K35-D71 PolarHBondContact NZ-OD2 3.47Å; P69-D71 PolarHBondContact O-N 3.04Å
72	V	37.9	Very low	43.9	Very low	55 Å²	55	82.2 Å²	82.2	33%	0.333	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.2	-167.6	-156.2	0	0	0	0	110	R32 I70	R32-V72 HydrophobicContact CB-CG1 4.02Å; R32-V72 HydrophobicContact CG-CG1 3.61Å; I70-V72 WeakPolarHBondContact O-CG2 3.39Å; I70-V72 PolarHBondContact O-N 3.28Å
73	G	39.1	Very low	46.5	Very low	14 Å²	14	84.6 Å²	84.6	14%	0.144	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	159	173	0	0	0	0	0	112.6	V33	V33-G73 PolarHBondContact N-O 3.06Å; V33-G73 PolarHBondContact O-N 3.02Å
74	F	46.8	Very low	49.2	Very low	104 Å²	104	81.6 Å²	81.6	46%	0.456	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.6	175.8	-67.1	-78.3	0	0	0	109.4	I30 R32	I30-F74 HydrophobicContact CG2-CB 3.58Å; I30-F74 HydrophobicContact CG2-CD1 3.57Å; I30-F74 HydrophobicContact CG2-CG 3.99Å; R32-F74 HydrophobicContact CG-CD1 4.25Å; R32-F74 HydrophobicContact CG-CE1 3.78Å; R32-F74 HydrophobicContact CG-CZ 4.4Å
75	V	51.6	Low	51.4	Low	14 Å²	14	83.4 Å²	83.4	9%	0.085	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.5	175.7	-177.6	0	0	0	0	109.1	I30 I31 L38 L77 P94 I101	I30-V75 WeakPolarHBondContact CA-O 3.27Å; I31-V75 PolarHBondContact N-O 2.98Å; I31-V75 PolarHBondContact O-N 3.05Å; L38-V75 HydrophobicContact CD2-CG2 4.38Å; V75-L77 HydrophobicContact CG1-CD2 4.24Å; V75-P94 HydrophobicContact CG1-CB 4.18Å; V75-P94 HydrophobicContact CG1-CG 3.73Å; V75-I101 HydrophobicContact CB-CD1 4.32Å; V75-I101 HydrophobicContact CG1-CD1 3.89Å; V75-I101 HydrophobicContact CG2-CD1 4.05Å
76	S	55.7	Low	54.1	Low	42 Å²	42	79.9 Å²	79.9	29%	0.294	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	134.1	167.8	168.5	0	0	0	0	109.9	D78	S76-D78 PolarHBondContact OG-N 3.37Å; S76-D78 PolarHBondContact OG-OD2 2.92Å
77	L	61.8	Low	56.7	Low	5 Å²	5	82.5 Å²	82.5	3%	0.026	45%	0.449	C	S	.	.			trans	-105.1	16	176.4	-54	177.1	0	0	0	113.1	A29 I31 V75 N79 S80 V92 P94 F118	A29-L77 HydrophobicContact CB-CB 3.66Å; A29-L77 HydrophobicContact CB-CD1 4.25Å; A29-L77 HydrophobicContact CB-CG 4.28Å; A29-L77 WeakPolarHBondContact O-CB 3.47Å; A29-L77 VanDerWaalsContact O-CG 3.22Å; A29-L77 WeakPolarHBondContact O-CG 3.36Å; A29-L77 PolarHBondContact O-N 3.26Å; I31-L77 HydrophobicContact CD1-CD1 3.23Å; I31-L77 HydrophobicContact CD1-CD2 4.36Å; I31-L77 HydrophobicContact CD1-CG 4.1Å; I31-L77 HydrophobicContact CG1-CD1 3.78Å; I31-L77 HydrophobicContact CG1-CG 4.44Å; V75-L77 HydrophobicContact CG1-CD2 4.24Å; L77-N79 PolarHBondContact O-N 3.33Å; L77-S80 VanDerWaalsContact CA-OG 3.28Å; L77-S80 WeakPolarHBondContact CA-OG 3.43Å; L77-S80 WeakPolarHBondContact O-CB 3.4Å; L77-S80 PolarHBondContact O-N 3.31Å; L77-S80 VanDerWaalsContact O-N 3.17Å; L77-S80 PolarHBondContact O-OG 2.67Å; L77-V92 HydrophobicContact CD2-CG1 3.61Å; L77-P94 HydrophobicContact CD2-CG 4.49Å; L77-F118 HydrophobicContact CB-CD2 4.48Å; L77-F118 HydrophobicContact CB-CE2 3.84Å; L77-F118 HydrophobicContact CD1-CD2 3.62Å; L77-F118 HydrophobicContact CD1-CE2 3.62Å; L77-F118 HydrophobicContact CD2-CE2 4.42Å; L77-F118 HydrophobicContact CG-CE2 4.17Å
78	D	59.3	Low	59.1	Low	75 Å²	75	80.8 Å²	80.8	40%	0.401	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	137	178.5	-59.4	-36	0	0	0	110.1	S76 S80 S95	S76-D78 PolarHBondContact OG-N 3.37Å; S76-D78 PolarHBondContact OG-OD2 2.92Å; D78-S80 PolarHBondContact O-N 3.49Å; D78-S80 PolarHBondContact O-OG 3.34Å; D78-S95 PolarHBondContact O-OG 2.79Å
79	N	62.2	Low	61.6	Low	120 Å²	120	76.6 Å²	76.6	64%	0.642	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	23.9	-174.8	-65.4	-46	0	0	0	115.8	L77	L77-N79 PolarHBondContact O-N 3.33Å
80	S	70.9	Confident	63.9	Low	0 Å²	0	71 Å²	71	0%	0	37%	0.365	C	S	.	.			trans	-88.8	147.4	-176.9	-55.4	0	0	0	0	111.7	L77 D78 R93 P94 S95 F118 R122	L77-S80 VanDerWaalsContact CA-OG 3.28Å; L77-S80 WeakPolarHBondContact CA-OG 3.43Å; L77-S80 WeakPolarHBondContact O-CB 3.4Å; L77-S80 PolarHBondContact O-N 3.31Å; L77-S80 VanDerWaalsContact O-N 3.17Å; L77-S80 PolarHBondContact O-OG 2.67Å; D78-S80 PolarHBondContact O-N 3.49Å; D78-S80 PolarHBondContact O-OG 3.34Å; S80-R93 WeakPolarHBondContact CA-O 3.34Å; S80-R93 VanDerWaalsContact CB-O 3.26Å; S80-R93 WeakPolarHBondContact CB-O 3.46Å; S80-P94 VanDerWaalsContact OG-CA 3.23Å; S80-P94 WeakPolarHBondContact OG-CA 3.33Å; S80-S95 PolarHBondContact OG-N 3.25Å; S80-F118 WeakPolarHBondContact O-CE1 3.42Å; S80-F118 VanDerWaalsContact O-CZ 3.32Å; S80-F118 WeakPolarHBondContact O-CZ 3.43Å; S80-R122 PolarHBondContact O-NH1 3.49Å
81	D	75	Confident	66.4	Low	78 Å²	78	66.2 Å²	66.2	42%	0.417	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	148.8	172.9	-73.5	-38.4	0	0	0	110.3	Y83 V92 R93 R122	D81-Y83 HydrophobicContact CB-CE2 4.43Å; D81-V92 CarbonylContact O-C 3.53Å; D81-V92 WeakPolarHBondContact O-CA 3.42Å; D81-R93 PolarHBondContact N-O 3.27Å; D81-R93 PolarHBondContact O-N 3.37Å; D81-R122 IonicContact OD1-CZ 3.59Å; D81-R122 IonicContact OD1-NH1 3.27Å; D81-R122 PolarHBondContact OD1-NH1 2.87Å
82	Y	82.5	Confident	68.6	Low	66 Å²	66	61.8 Å²	61.8	26%	0.259	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.9	171.3	83	-82.2	0	0	0	111.8	V90 V91 V115 F118 N119	Y82-V90 HydrophobicContact CD2-CG1 3.91Å; Y82-V90 HydrophobicContact CG-CG1 4.45Å; Y82-V91 CarbonylContact C-O 3.58Å; Y82-V91 WeakPolarHBondContact CA-O 3.45Å; Y82-V91 WeakPolarHBondContact CB-O 3.26Å; Y82-V115 HydrophobicContact CD2-CG2 4.25Å; Y82-V115 HydrophobicContact CE1-CG1 4.49Å; Y82-V115 HydrophobicContact CE2-CB 4.36Å; Y82-V115 HydrophobicContact CE2-CG1 3.62Å; Y82-V115 HydrophobicContact CE2-CG2 3.85Å; Y82-V115 WeakPolarHBondContact OH-CG1 3.21Å; Y82-F118 AromaticContact CD1-CD1 3.36Å; Y82-F118 HydrophobicContact CD1-CD1 3.36Å; Y82-F118 AromaticContact CD1-CE1 3.46Å; Y82-F118 HydrophobicContact CD1-CE1 3.46Å; Y82-F118 VanDerWaalsContact CD1-CE1 3.46Å; Y82-F118 HydrophobicContact CD1-CG 4.3Å; Y82-F118 HydrophobicContact CD1-CZ 4.44Å; Y82-F118 AromaticContact CE1-CD1 3.97Å; Y82-F118 HydrophobicContact CE1-CD1 3.97Å; Y82-F118 HydrophobicContact CE1-CE1 4.37Å; Y82-F118 HydrophobicContact CG-CD1 4.05Å; Y82-F118 HydrophobicContact CG-CE1 4.13Å; Y82-N119 VanDerWaalsContact CE1-OD1 3.3Å; Y82-N119 WeakPolarHBondContact CE1-OD1 3.04Å; Y82-N119 PolarHBondContact OH-ND2 3.29Å
83	Y	81.4	Confident	70.3	Confident	151 Å²	151	66 Å²	66	59%	0.592	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.2	175.1	-61.8	-86.6	0	0	0	109	D81 V91	D81-Y83 HydrophobicContact CB-CE2 4.43Å; Y83-V91 PolarHBondContact N-O 3.27Å; Y83-V91 PolarHBondContact O-N 3.38Å
84	R	80.6	Confident	71.7	Confident	105 Å²	105	65.4 Å²	65.4	40%	0.396	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.2	176.3	-161.3	179.3	-177.6	160.2	8.7	109.6	G86 E87 N108 N112	R84-G86 WeakPolarHBondContact CG-O 3.23Å; R84-G86 PolarHBondContact NE-O 3.27Å; R84-E87 PolarHBondContact NH2-O 3.48Å; R84-N108 PolarHBondContact NH2-OD1 2.83Å; R84-N112 PolarHBondContact NH1-OD1 3.49Å; R84-N112 PolarHBondContact NH2-OD1 3.16Å
85	M	76.9	Confident	72.6	Confident	134 Å²	134	64.1 Å²	64.1	66%	0.66	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	95.4	177.2	-170.4	174.7	-179.9	0	0	109	V89	M85-V89 HydrophobicContact CB-CB 4.24Å; M85-V89 HydrophobicContact CB-CG1 4.3Å; M85-V89 PolarHBondContact N-O 2.98Å; M85-V89 WeakPolarHBondContact O-CB 3.46Å
86	G	81.8	Confident	72.8	Confident	59 Å²	59	68.1 Å²	68.1	61%	0.608	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	-160.5	-172.7	0	0	0	0	0	113.2	R84	R84-G86 WeakPolarHBondContact CG-O 3.23Å; R84-G86 PolarHBondContact NE-O 3.27Å
87	E	80.2	Confident	73	Confident	124 Å²	124	69 Å²	69	58%	0.579	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-27.2	-172	-67.1	-163.2	176.5	0	0	114.1	R84 N108 A111	R84-E87 PolarHBondContact NH2-O 3.48Å; E87-N108 HydrophobicContact CB-CB 4.09Å; E87-N108 PolarHBondContact O-OD1 3.16Å; E87-N108 PolarHBondContact OE2-ND2 2.84Å; E87-A111 WeakPolarHBondContact O-CB 3.45Å
88	Q	78.7	Confident	72.6	Confident	89 Å²	89	73.5 Å²	73.5	42%	0.416	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-1.2	-164.8	-70	-179.2	-19.1	0	0	114.3	F105 K106	Q88-F105 WeakPolarHBondContact O-CD2 3.4Å; Q88-F105 PolarHBondContact O-N 3.29Å; Q88-K106 PolarHBondContact NE2-O 3.46Å
89	V	78.3	Confident	72.7	Confident	31 Å²	31	75.3 Å²	75.3	19%	0.188	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.9	-176.9	-176.7	0	0	0	0	111	M85 L102 F103	M85-V89 HydrophobicContact CB-CB 4.24Å; M85-V89 HydrophobicContact CB-CG1 4.3Å; M85-V89 PolarHBondContact N-O 2.98Å; M85-V89 WeakPolarHBondContact O-CB 3.46Å; V89-L102 HydrophobicContact CG1-CD1 3.83Å; V89-L102 HydrophobicContact CG1-CD2 3.64Å; V89-L102 HydrophobicContact CG1-CG 3.55Å; V89-F103 CarbonylContact C-O 3.58Å; V89-F103 WeakPolarHBondContact CA-O 3.38Å
90	V	77.4	Confident	73.1	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.3	175.9	-175.5	0	0	0	0	108.6	Y82 V92 F103 F105 A111 F114 V115	Y82-V90 HydrophobicContact CD2-CG1 3.91Å; Y82-V90 HydrophobicContact CG-CG1 4.45Å; V90-V92 HydrophobicContact CG1-CG2 4.16Å; V90-F103 PolarHBondContact N-O 3.34Å; V90-F103 WeakPolarHBondContact O-CB 3.4Å; V90-F103 PolarHBondContact O-N 3.29Å; V90-F105 HydrophobicContact CB-CE2 3.96Å; V90-F105 HydrophobicContact CG2-CD2 4.26Å; V90-F105 HydrophobicContact CG2-CE2 3.67Å; V90-A111 HydrophobicContact CG2-CB 4.48Å; V90-F114 HydrophobicContact CB-CD1 4.13Å; V90-F114 HydrophobicContact CB-CE1 4.17Å; V90-F114 HydrophobicContact CG1-CD1 3.95Å; V90-F114 HydrophobicContact CG1-CE1 3.76Å; V90-F114 HydrophobicContact CG2-CD1 4.17Å; V90-V115 HydrophobicContact CG1-CG2 4.18Å; V90-V115 HydrophobicContact CG2-CG2 3.66Å
91	V	83.2	Confident	73.2	Confident	32 Å²	32	73.3 Å²	73.3	19%	0.194	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.4	175.4	-178.2	0	0	0	0	108	Y82 Y83 A100 I101 L102	Y82-V91 CarbonylContact C-O 3.58Å; Y82-V91 WeakPolarHBondContact CA-O 3.45Å; Y82-V91 WeakPolarHBondContact CB-O 3.26Å; Y83-V91 PolarHBondContact N-O 3.27Å; Y83-V91 PolarHBondContact O-N 3.38Å; V91-A100 HydrophobicContact CG1-CB 3.74Å; V91-I101 CarbonylContact C-O 3.54Å; V91-I101 WeakPolarHBondContact CA-O 3.47Å; V91-L102 HydrophobicContact CG2-CB 4.37Å; V91-L102 HydrophobicContact CG2-CD1 4.05Å; V91-L102 HydrophobicContact CG2-CG 4.11Å
92	V	79.5	Confident	73.4	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.2	179	179.1	0	0	0	0	109	L77 D81 V90 P94 A100 I101 F103 F114 F118	L77-V92 HydrophobicContact CD2-CG1 3.61Å; D81-V92 CarbonylContact O-C 3.53Å; D81-V92 WeakPolarHBondContact O-CA 3.42Å; V90-V92 HydrophobicContact CG1-CG2 4.16Å; V92-P94 WeakPolarHBondContact O-CD 3.5Å; V92-A100 CarbonylContact O-C 3.57Å; V92-A100 WeakPolarHBondContact O-CA 3.14Å; V92-I101 PolarHBondContact N-O 2.93Å; V92-I101 PolarHBondContact O-N 2.81Å; V92-F103 HydrophobicContact CB-CD2 4.45Å; V92-F103 HydrophobicContact CB-CE2 3.95Å; V92-F103 HydrophobicContact CG2-CD2 3.87Å; V92-F103 HydrophobicContact CG2-CE2 3.68Å; V92-F114 HydrophobicContact CG2-CE1 3.93Å; V92-F114 HydrophobicContact CG2-CZ 4.14Å; V92-F118 HydrophobicContact CB-CE2 4.41Å; V92-F118 HydrophobicContact CG1-CD2 4.44Å; V92-F118 HydrophobicContact CG1-CE2 3.47Å; V92-F118 VanDerWaalsContact CG1-CE2 3.47Å; V92-F118 HydrophobicContact CG1-CZ 3.92Å; V92-F118 HydrophobicContact CG2-CD2 4.27Å; V92-F118 HydrophobicContact CG2-CE2 4Å
93	R	74.5	Confident	73.1	Confident	143 Å²	143	68.4 Å²	68.4	54%	0.54	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	103	173.8	-176.2	-179.4	180	150.6	1.3	109.1	S80 D81 A100	S80-R93 WeakPolarHBondContact CA-O 3.34Å; S80-R93 VanDerWaalsContact CB-O 3.26Å; S80-R93 WeakPolarHBondContact CB-O 3.46Å; D81-R93 PolarHBondContact N-O 3.27Å; D81-R93 PolarHBondContact O-N 3.37Å; R93-A100 HydrophobicContact CB-CB 4.49Å
94	P	68.1	Low	72.9	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.006	35%	0.347	C	S	.	.			trans	-58.5	139	175.1	-22.7	33.8	0	0	0	112.1	V75 L77 S80 V92 S96 N97 R99 I101	V75-P94 HydrophobicContact CG1-CB 4.18Å; V75-P94 HydrophobicContact CG1-CG 3.73Å; L77-P94 HydrophobicContact CD2-CG 4.49Å; S80-P94 VanDerWaalsContact OG-CA 3.23Å; S80-P94 WeakPolarHBondContact OG-CA 3.33Å; V92-P94 WeakPolarHBondContact O-CD 3.5Å; P94-S96 PolarHBondContact O-N 2.79Å; P94-N97 HydrophobicContact CB-CB 3.93Å; P94-N97 HydrophobicContact CG-CB 4.28Å; P94-N97 PolarHBondContact O-N 2.88Å; P94-R99 WeakPolarHBondContact CD-O 3.39Å; P94-I101 HydrophobicContact CG-CD1 3.91Å; P94-I101 HydrophobicContact CG-CG1 4.44Å
95	S	65.2	Low	72.6	Confident	77 Å²	77	58.6 Å²	58.6	54%	0.538	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-31.1	176.6	58.9	0	0	0	0	112.6	D78 S80	D78-S95 PolarHBondContact O-OG 2.79Å; S80-S95 PolarHBondContact OG-N 3.25Å
96	S	56.8	Low	72.3	Confident	98 Å²	98	60.8 Å²	60.8	69%	0.685	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-3	179.4	56.7	0	0	0	0	114.5	P94	P94-S96 PolarHBondContact O-N 2.79Å
97	N	58.3	Low	71.8	Confident	62 Å²	62	60.7 Å²	60.7	33%	0.332	32%	0.322	S	S	.	.			trans	-132.2	140.3	-173.6	-157.6	-35.5	0	0	0	112.4	P94 R99	P94-N97 HydrophobicContact CB-CB 3.93Å; P94-N97 HydrophobicContact CG-CB 4.28Å; P94-N97 PolarHBondContact O-N 2.88Å; N97-R99 VanDerWaalsContact C-N 3.26Å; N97-R99 PolarHBondContact O-N 2.77Å; N97-R99 PolarHBondContact OD1-N 2.81Å; N97-R99 VanDerWaalsContact OD1-N 3.09Å
98	S	54.5	Low	71.8	Confident	98 Å²	98	57 Å²	57	69%	0.685	31%	0.306	S	S	*	.	S	Bend	trans	-77.4	-8.2	176.7	46	0	0	0	0	113.6
99	R	60	Low	71.4	Confident	114 Å²	114	55.8 Å²	55.8	43%	0.43	31%	0.308	S	S	.	.	S	Bend	trans	-109.4	138.7	-178.6	-64.2	-178.6	179.2	166.9	0.6	112.4	G40 P94 N97	G40-R99 PolarHBondContact O-NH2 2.77Å; P94-R99 WeakPolarHBondContact CD-O 3.39Å; N97-R99 VanDerWaalsContact C-N 3.26Å; N97-R99 PolarHBondContact O-N 2.77Å; N97-R99 PolarHBondContact OD1-N 2.81Å; N97-R99 VanDerWaalsContact OD1-N 3.09Å
100	A	70.6	Confident	71	Confident	55 Å²	55	56.8 Å²	56.8	46%	0.455	31%	0.312	S	S	.	.			trans	-85.2	144	172.4	0	0	0	0	0	111	V91 V92 R93	V91-A100 HydrophobicContact CG1-CB 3.74Å; V92-A100 CarbonylContact O-C 3.57Å; V92-A100 WeakPolarHBondContact O-CA 3.14Å; R93-A100 HydrophobicContact CB-CB 4.49Å
101	I	73.8	Confident	70.6	Confident	22 Å²	22	56.8 Å²	56.8	11%	0.113	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.1	179.2	-54.8	173.9	0	0	0	108	V75 V91 V92 P94 F103	V75-I101 HydrophobicContact CB-CD1 4.32Å; V75-I101 HydrophobicContact CG1-CD1 3.89Å; V75-I101 HydrophobicContact CG2-CD1 4.05Å; V91-I101 CarbonylContact C-O 3.54Å; V91-I101 WeakPolarHBondContact CA-O 3.47Å; V92-I101 PolarHBondContact N-O 2.93Å; V92-I101 PolarHBondContact O-N 2.81Å; P94-I101 HydrophobicContact CG-CD1 3.91Å; P94-I101 HydrophobicContact CG-CG1 4.44Å; I101-F103 HydrophobicContact CB-CE2 4.06Å; I101-F103 HydrophobicContact CB-CZ 4.33Å; I101-F103 HydrophobicContact CG2-CD2 4.28Å; I101-F103 HydrophobicContact CG2-CE1 4.12Å; I101-F103 HydrophobicContact CG2-CE2 3.64Å; I101-F103 HydrophobicContact CG2-CZ 3.55Å
102	L	79.2	Confident	70.3	Confident	26 Å²	26	58.4 Å²	58.4	14%	0.136	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.7	177.6	-174.1	152.3	0	0	0	110.2	V11 V13 V89 V91	V11-L102 HydrophobicContact CG1-CB 4.39Å; V11-L102 HydrophobicContact CG1-CD1 3.64Å; V13-L102 HydrophobicContact CG1-CD2 4.44Å; V13-L102 HydrophobicContact CG2-CD2 4.46Å; V89-L102 HydrophobicContact CG1-CD1 3.83Å; V89-L102 HydrophobicContact CG1-CD2 3.64Å; V89-L102 HydrophobicContact CG1-CG 3.55Å; V91-L102 HydrophobicContact CG2-CB 4.37Å; V91-L102 HydrophobicContact CG2-CD1 4.05Å; V91-L102 HydrophobicContact CG2-CG 4.11Å
103	F	76.6	Confident	69.8	Low	15 Å²	15	65.7 Å²	65.7	7%	0.066	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.1	173.8	-61.4	-82.6	0	0	0	109.7	I31 V89 V90 V92 I101 F105 F114	I31-F103 HydrophobicContact CD1-CE1 4.02Å; I31-F103 HydrophobicContact CD1-CE2 4.12Å; I31-F103 HydrophobicContact CD1-CZ 3.5Å; I31-F103 VanDerWaalsContact CD1-CZ 3.5Å; I31-F103 HydrophobicContact CG2-CE1 3.98Å; I31-F103 HydrophobicContact CG2-CZ 4.29Å; V89-F103 CarbonylContact C-O 3.58Å; V89-F103 WeakPolarHBondContact CA-O 3.38Å; V90-F103 PolarHBondContact N-O 3.34Å; V90-F103 WeakPolarHBondContact O-CB 3.4Å; V90-F103 PolarHBondContact O-N 3.29Å; V92-F103 HydrophobicContact CB-CD2 4.45Å; V92-F103 HydrophobicContact CB-CE2 3.95Å; V92-F103 HydrophobicContact CG2-CD2 3.87Å; V92-F103 HydrophobicContact CG2-CE2 3.68Å; I101-F103 HydrophobicContact CB-CE2 4.06Å; I101-F103 HydrophobicContact CB-CZ 4.33Å; I101-F103 HydrophobicContact CG2-CD2 4.28Å; I101-F103 HydrophobicContact CG2-CE1 4.12Å; I101-F103 HydrophobicContact CG2-CE2 3.64Å; I101-F103 HydrophobicContact CG2-CZ 3.55Å; F103-F105 HydrophobicContact CB-CD2 4.47Å; F103-F105 HydrophobicContact CB-CE2 3.52Å; F103-F105 HydrophobicContact CB-CZ 3.64Å; F103-F105 HydrophobicContact CG-CZ 4.4Å; F103-F114 HydrophobicContact CD1-CZ 4.44Å; F103-F114 HydrophobicContact CD2-CE1 4.01Å; F103-F114 AromaticContact CD2-CZ 3.71Å; F103-F114 HydrophobicContact CD2-CZ 3.71Å; F103-F114 HydrophobicContact CE1-CZ 4.5Å; F103-F114 HydrophobicContact CE2-CE1 4.41Å; F103-F114 AromaticContact CE2-CZ 3.76Å; F103-F114 HydrophobicContact CE2-CZ 3.76Å; F103-F114 HydrophobicContact CG-CE1 4.42Å; F103-F114 HydrophobicContact CG-CZ 4.07Å; F103-F114 HydrophobicContact CZ-CZ 4.17Å
104	S	76.7	Confident	69.8	Low	36 Å²	36	59.4 Å²	59.4	25%	0.252	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.5	172.5	-173.8	0	0	0	0	110
105	F	75.1	Confident	70.2	Confident	15 Å²	15	60 Å²	60	7%	0.066	33%	0.328	C	S	.	.			trans	-105.1	147	-177.1	-60.5	-87.5	0	0	0	111.1	Q88 V90 F103 N107 D110 A111 F114	Q88-F105 WeakPolarHBondContact O-CD2 3.4Å; Q88-F105 PolarHBondContact O-N 3.29Å; V90-F105 HydrophobicContact CB-CE2 3.96Å; V90-F105 HydrophobicContact CG2-CD2 4.26Å; V90-F105 HydrophobicContact CG2-CE2 3.67Å; F103-F105 HydrophobicContact CB-CD2 4.47Å; F103-F105 HydrophobicContact CB-CE2 3.52Å; F103-F105 HydrophobicContact CB-CZ 3.64Å; F103-F105 HydrophobicContact CG-CZ 4.4Å; F105-N107 PolarHBondContact O-N 2.97Å; F105-D110 HydrophobicContact CB-CB 4.24Å; F105-D110 HydrophobicContact CD1-CB 4.05Å; F105-D110 HydrophobicContact CG-CB 4.5Å; F105-A111 HydrophobicContact CB-CB 3.97Å; F105-A111 HydrophobicContact CD2-CB 3.56Å; F105-A111 HydrophobicContact CE2-CB 4.3Å; F105-A111 HydrophobicContact CG-CB 3.83Å; F105-F114 HydrophobicContact CE1-CB 3.63Å; F105-F114 HydrophobicContact CE1-CD2 4.1Å; F105-F114 AromaticContact CE1-CG 3.89Å; F105-F114 HydrophobicContact CE1-CG 3.89Å; F105-F114 HydrophobicContact CE2-CB 4.2Å; F105-F114 HydrophobicContact CE2-CD1 4.12Å; F105-F114 HydrophobicContact CE2-CG 4.16Å; F105-F114 HydrophobicContact CZ-CB 3.4Å; F105-F114 VanDerWaalsContact CZ-CB 3.4Å; F105-F114 AromaticContact CZ-CD1 3.64Å; F105-F114 HydrophobicContact CZ-CD1 3.64Å; F105-F114 AromaticContact CZ-CD2 3.71Å; F105-F114 HydrophobicContact CZ-CD2 3.71Å; F105-F114 HydrophobicContact CZ-CE1 4.31Å; F105-F114 HydrophobicContact CZ-CE2 4.36Å; F105-F114 AromaticContact CZ-CG 3.29Å; F105-F114 HydrophobicContact CZ-CG 3.29Å
106	K	69.8	Low	70.3	Confident	180 Å²	180	58.7 Å²	58.7	78%	0.783	32%	0.321	S	S	*	.	S	Bend	trans	-64	-28.5	-179.9	-172.7	176.5	179.8	179.9	0	112.9	Q88	Q88-K106 PolarHBondContact NE2-O 3.46Å
107	N	72.4	Confident	70.8	Confident	57 Å²	57	56.1 Å²	56.1	31%	0.305	30%	0.298	S	S	.	.	S	Bend	trans	-148.9	162.9	179.9	62	67	0	0	0	111	F105 S109 D110 A111	F105-N107 PolarHBondContact O-N 2.97Å; N107-S109 VanDerWaalsContact C-N 3.26Å; N107-S109 PolarHBondContact O-N 2.85Å; N107-S109 WeakPolarHBondContact OD1-CA 3.48Å; N107-S109 VanDerWaalsContact OD1-CB 3.24Å; N107-S109 WeakPolarHBondContact OD1-CB 3.47Å; N107-S109 PolarHBondContact OD1-N 2.83Å; N107-S109 VanDerWaalsContact OD1-N 3.07Å; N107-D110 PolarHBondContact ND2-OD2 3.01Å; N107-D110 PolarHBondContact O-N 3.48Å; N107-D110 PolarHBondContact OD1-N 2.84Å; N107-D110 PolarHBondContact OD1-OD2 3.11Å; N107-A111 PolarHBondContact O-N 2.93Å
108	N	78.4	Confident	71.4	Confident	45 Å²	45	53.4 Å²	53.4	24%	0.241	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-31	-179.8	-173.5	-7.5	0	0	0	112	R84 E87 D110 A111 N112	R84-N108 PolarHBondContact NH2-OD1 2.83Å; E87-N108 HydrophobicContact CB-CB 4.09Å; E87-N108 PolarHBondContact O-OD1 3.16Å; E87-N108 PolarHBondContact OE2-ND2 2.84Å; N108-D110 PolarHBondContact O-N 2.89Å; N108-A111 PolarHBondContact O-N 3.27Å; N108-N112 WeakPolarHBondContact O-CB 3.3Å; N108-N112 PolarHBondContact O-N 2.88Å; N108-N112 PolarHBondContact O-ND2 2.87Å; N108-N112 PolarHBondContact OD1-ND2 3.24Å; N108-N112 PolarHBondContact OD1-OD1 3.17Å
109	S	71.4	Confident	72	Confident	64 Å²	64	51.3 Å²	51.3	45%	0.448	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-44.2	178.5	-164.9	0	0	0	0	112	N107 N112 R113	N107-S109 VanDerWaalsContact C-N 3.26Å; N107-S109 PolarHBondContact O-N 2.85Å; N107-S109 WeakPolarHBondContact OD1-CA 3.48Å; N107-S109 VanDerWaalsContact OD1-CB 3.24Å; N107-S109 WeakPolarHBondContact OD1-CB 3.47Å; N107-S109 PolarHBondContact OD1-N 2.83Å; N107-S109 VanDerWaalsContact OD1-N 3.07Å; S109-N112 PolarHBondContact O-N 3.42Å; S109-R113 WeakPolarHBondContact O-CG 3.22Å; S109-R113 PolarHBondContact O-N 3.24Å
110	D	69.4	Low	72.1	Confident	52 Å²	52	50.7 Å²	50.7	28%	0.278	27%	0.269	S	S	.	.	H	α-helix	trans	-69.6	-39	179.3	-65.4	-29.5	0	0	0	111.8	F105 N107 N108 N112 R113 F114	F105-D110 HydrophobicContact CB-CB 4.24Å; F105-D110 HydrophobicContact CD1-CB 4.05Å; F105-D110 HydrophobicContact CG-CB 4.5Å; N107-D110 PolarHBondContact ND2-OD2 3.01Å; N107-D110 PolarHBondContact O-N 3.48Å; N107-D110 PolarHBondContact OD1-N 2.84Å; N107-D110 PolarHBondContact OD1-OD2 3.11Å; N108-D110 PolarHBondContact O-N 2.89Å; D110-N112 VanDerWaalsContact C-N 3.35Å; D110-N112 PolarHBondContact O-N 2.97Å; D110-R113 PolarHBondContact O-N 3.03Å; D110-R113 IonicContact OD1-NH1 2.71Å; D110-R113 PolarHBondContact OD1-NH1 3.32Å; D110-F114 PolarHBondContact O-N 3.31Å
111	A	69.9	Low	71.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.9	-43	171.9	0	0	0	0	0	111.8	E87 V90 F105 N107 N108 F114 V115	E87-A111 WeakPolarHBondContact O-CB 3.45Å; V90-A111 HydrophobicContact CG2-CB 4.48Å; F105-A111 HydrophobicContact CB-CB 3.97Å; F105-A111 HydrophobicContact CD2-CB 3.56Å; F105-A111 HydrophobicContact CE2-CB 4.3Å; F105-A111 HydrophobicContact CG-CB 3.83Å; N107-A111 PolarHBondContact O-N 2.93Å; N108-A111 PolarHBondContact O-N 3.27Å; A111-F114 PolarHBondContact O-N 2.84Å; A111-V115 WeakPolarHBondContact O-CG2 3.35Å; A111-V115 PolarHBondContact O-N 3.17Å
112	N	76.2	Confident	70.7	Confident	66 Å²	66	54 Å²	54	35%	0.353	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-41.1	176.2	-72.4	-34.7	0	0	0	112	R84 N108 S109 D110 V115 A116	R84-N112 PolarHBondContact NH1-OD1 3.49Å; R84-N112 PolarHBondContact NH2-OD1 3.16Å; N108-N112 WeakPolarHBondContact O-CB 3.3Å; N108-N112 PolarHBondContact O-N 2.88Å; N108-N112 PolarHBondContact O-ND2 2.87Å; N108-N112 PolarHBondContact OD1-ND2 3.24Å; N108-N112 PolarHBondContact OD1-OD1 3.17Å; S109-N112 PolarHBondContact O-N 3.42Å; D110-N112 VanDerWaalsContact C-N 3.35Å; D110-N112 PolarHBondContact O-N 2.97Å; N112-V115 PolarHBondContact O-N 3.15Å; N112-A116 VanDerWaalsContact O-CB 3.3Å; N112-A116 WeakPolarHBondContact O-CB 3.32Å; N112-A116 PolarHBondContact O-N 2.78Å
113	R	69.5	Low	69.3	Low	153 Å²	153	57.2 Å²	57.2	58%	0.577	29%	0.293	S	S	*	.	H	α-helix	trans	-62.3	-43	175.3	-75.9	174.9	-178.6	165.4	-3.8	111.6	S109 D110 A116 F117	S109-R113 WeakPolarHBondContact O-CG 3.22Å; S109-R113 PolarHBondContact O-N 3.24Å; D110-R113 PolarHBondContact O-N 3.03Å; D110-R113 IonicContact OD1-NH1 2.71Å; D110-R113 PolarHBondContact OD1-NH1 3.32Å; R113-A116 PolarHBondContact O-N 2.71Å; R113-F117 WeakPolarHBondContact O-CB 3.42Å; R113-F117 PolarHBondContact O-N 2.9Å
114	F	75	Confident	67.9	Low	12 Å²	12	59.4 Å²	59.4	5%	0.053	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-47.1	175.6	179.5	-94.6	0	0	0	112.1	I31 V90 V92 F103 F105 D110 A111 A116 F117 F118	I31-F114 HydrophobicContact CD1-CE2 3.47Å; I31-F114 VanDerWaalsContact CD1-CE2 3.47Å; I31-F114 HydrophobicContact CD1-CZ 3.58Å; I31-F114 HydrophobicContact CG1-CE2 4.46Å; V90-F114 HydrophobicContact CB-CD1 4.13Å; V90-F114 HydrophobicContact CB-CE1 4.17Å; V90-F114 HydrophobicContact CG1-CD1 3.95Å; V90-F114 HydrophobicContact CG1-CE1 3.76Å; V90-F114 HydrophobicContact CG2-CD1 4.17Å; V92-F114 HydrophobicContact CG2-CE1 3.93Å; V92-F114 HydrophobicContact CG2-CZ 4.14Å; F103-F114 HydrophobicContact CD1-CZ 4.44Å; F103-F114 HydrophobicContact CD2-CE1 4.01Å; F103-F114 AromaticContact CD2-CZ 3.71Å; F103-F114 HydrophobicContact CD2-CZ 3.71Å; F103-F114 HydrophobicContact CE1-CZ 4.5Å; F103-F114 HydrophobicContact CE2-CE1 4.41Å; F103-F114 AromaticContact CE2-CZ 3.76Å; F103-F114 HydrophobicContact CE2-CZ 3.76Å; F103-F114 HydrophobicContact CG-CE1 4.42Å; F103-F114 HydrophobicContact CG-CZ 4.07Å; F103-F114 HydrophobicContact CZ-CZ 4.17Å; F105-F114 HydrophobicContact CE1-CB 3.63Å; F105-F114 HydrophobicContact CE1-CD2 4.1Å; F105-F114 AromaticContact CE1-CG 3.89Å; F105-F114 HydrophobicContact CE1-CG 3.89Å; F105-F114 HydrophobicContact CE2-CB 4.2Å; F105-F114 HydrophobicContact CE2-CD1 4.12Å; F105-F114 HydrophobicContact CE2-CG 4.16Å; F105-F114 HydrophobicContact CZ-CB 3.4Å; F105-F114 VanDerWaalsContact CZ-CB 3.4Å; F105-F114 AromaticContact CZ-CD1 3.64Å; F105-F114 HydrophobicContact CZ-CD1 3.64Å; F105-F114 AromaticContact CZ-CD2 3.71Å; F105-F114 HydrophobicContact CZ-CD2 3.71Å; F105-F114 HydrophobicContact CZ-CE1 4.31Å; F105-F114 HydrophobicContact CZ-CE2 4.36Å; F105-F114 AromaticContact CZ-CG 3.29Å; F105-F114 HydrophobicContact CZ-CG 3.29Å; D110-F114 PolarHBondContact O-N 3.31Å; A111-F114 PolarHBondContact O-N 2.84Å; F114-A116 PolarHBondContact O-N 3.05Å; F114-F117 WeakPolarHBondContact O-CB 3.37Å; F114-F117 PolarHBondContact O-N 3.43Å; F114-F118 WeakPolarHBondContact O-CB 3.38Å; F114-F118 PolarHBondContact O-N 3.18Å
115	V	74.7	Confident	66.5	Low	14 Å²	14	63.6 Å²	63.6	9%	0.085	32%	0.322	C	S	.	.	H	α-helix	trans	-63.2	-41.7	177.1	168.7	0	0	0	0	111.7	Y82 V90 A111 N112 F117 F118 N119	Y82-V115 HydrophobicContact CD2-CG2 4.25Å; Y82-V115 HydrophobicContact CE1-CG1 4.49Å; Y82-V115 HydrophobicContact CE2-CB 4.36Å; Y82-V115 HydrophobicContact CE2-CG1 3.62Å; Y82-V115 HydrophobicContact CE2-CG2 3.85Å; Y82-V115 WeakPolarHBondContact OH-CG1 3.21Å; V90-V115 HydrophobicContact CG1-CG2 4.18Å; V90-V115 HydrophobicContact CG2-CG2 3.66Å; A111-V115 WeakPolarHBondContact O-CG2 3.35Å; A111-V115 PolarHBondContact O-N 3.17Å; N112-V115 PolarHBondContact O-N 3.15Å; V115-F117 VanDerWaalsContact C-N 3.33Å; V115-F117 PolarHBondContact O-N 2.85Å; V115-F118 PolarHBondContact O-N 2.96Å; V115-N119 WeakPolarHBondContact CG1-ND2 3.28Å; V115-N119 WeakPolarHBondContact O-CB 3.24Å; V115-N119 PolarHBondContact O-N 3.37Å; V115-N119 PolarHBondContact O-ND2 3.19Å; V115-N119 VanDerWaalsContact O-ND2 3.16Å
116	A	69.1	Low	65	Low	49 Å²	49	73.8 Å²	73.8	41%	0.405	36%	0.36	S	S	.	.	H	α-helix	trans	-62.4	-41.6	175.5	0	0	0	0	0	111.5	N112 R113 F114 N120	N112-A116 VanDerWaalsContact O-CB 3.3Å; N112-A116 WeakPolarHBondContact O-CB 3.32Å; N112-A116 PolarHBondContact O-N 2.78Å; R113-A116 PolarHBondContact O-N 2.71Å; F114-A116 PolarHBondContact O-N 3.05Å; A116-N120 VanDerWaalsContact O-CB 3.24Å; A116-N120 WeakPolarHBondContact O-CB 3.12Å; A116-N120 VanDerWaalsContact O-CG 3.25Å; A116-N120 PolarHBondContact O-N 3.17Å; A116-N120 PolarHBondContact O-ND2 3.18Å
117	F	66.9	Low	63.7	Low	44 Å²	44	70.9 Å²	70.9	19%	0.193	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-48.1	173.7	175.1	-96.5	0	0	0	111.9	L24 R113 F114 V115 N119 N120 C121	L24-F117 HydrophobicContact CD2-CD1 4.23Å; L24-F117 HydrophobicContact CD2-CD2 3.89Å; L24-F117 HydrophobicContact CD2-CE1 4.3Å; L24-F117 HydrophobicContact CD2-CE2 3.96Å; L24-F117 HydrophobicContact CD2-CG 4.02Å; L24-F117 HydrophobicContact CD2-CZ 4.17Å; R113-F117 WeakPolarHBondContact O-CB 3.42Å; R113-F117 PolarHBondContact O-N 2.9Å; F114-F117 WeakPolarHBondContact O-CB 3.37Å; F114-F117 PolarHBondContact O-N 3.43Å; V115-F117 VanDerWaalsContact C-N 3.33Å; V115-F117 PolarHBondContact O-N 2.85Å; F117-N119 VanDerWaalsContact C-N 3.34Å; F117-N119 PolarHBondContact O-N 3.31Å; F117-N120 CarbonylContact O-C 3.44Å; F117-N120 PolarHBondContact O-N 2.76Å; F117-N120 VanDerWaalsContact O-N 3.16Å; F117-C121 PolarHBondContact O-N 2.77Å; F117-C121 PolarHBondContact O-SG 3.42Å
118	F	70.5	Confident	62.7	Low	4 Å²	4	77 Å²	77	2%	0.018	38%	0.377	C	S	.	.	H	α-helix	trans	-57.7	-46.6	177.8	-170.6	-84	0	0	0	111.6	L77 S80 Y82 V92 F114 V115 C121 R122	L77-F118 HydrophobicContact CB-CD2 4.48Å; L77-F118 HydrophobicContact CB-CE2 3.84Å; L77-F118 HydrophobicContact CD1-CD2 3.62Å; L77-F118 HydrophobicContact CD1-CE2 3.62Å; L77-F118 HydrophobicContact CD2-CE2 4.42Å; L77-F118 HydrophobicContact CG-CE2 4.17Å; S80-F118 WeakPolarHBondContact O-CE1 3.42Å; S80-F118 VanDerWaalsContact O-CZ 3.32Å; S80-F118 WeakPolarHBondContact O-CZ 3.43Å; Y82-F118 AromaticContact CD1-CD1 3.36Å; Y82-F118 HydrophobicContact CD1-CD1 3.36Å; Y82-F118 AromaticContact CD1-CE1 3.46Å; Y82-F118 HydrophobicContact CD1-CE1 3.46Å; Y82-F118 VanDerWaalsContact CD1-CE1 3.46Å; Y82-F118 HydrophobicContact CD1-CG 4.3Å; Y82-F118 HydrophobicContact CD1-CZ 4.44Å; Y82-F118 AromaticContact CE1-CD1 3.97Å; Y82-F118 HydrophobicContact CE1-CD1 3.97Å; Y82-F118 HydrophobicContact CE1-CE1 4.37Å; Y82-F118 HydrophobicContact CG-CD1 4.05Å; Y82-F118 HydrophobicContact CG-CE1 4.13Å; V92-F118 HydrophobicContact CB-CE2 4.41Å; V92-F118 HydrophobicContact CG1-CD2 4.44Å; V92-F118 HydrophobicContact CG1-CE2 3.47Å; V92-F118 VanDerWaalsContact CG1-CE2 3.47Å; V92-F118 HydrophobicContact CG1-CZ 3.92Å; V92-F118 HydrophobicContact CG2-CD2 4.27Å; V92-F118 HydrophobicContact CG2-CE2 4Å; F114-F118 WeakPolarHBondContact O-CB 3.38Å; F114-F118 PolarHBondContact O-N 3.18Å; V115-F118 PolarHBondContact O-N 2.96Å; F118-C121 WeakPolarHBondContact O-CB 3.3Å; F118-C121 PolarHBondContact O-N 3.41Å; F118-C121 VanDerWaalsContact O-N 3.14Å; F118-R122 PolarHBondContact O-N 3.35Å; F118-R122 VanDerWaalsContact O-N 3.11Å
119	N	67.5	Low	61.5	Low	55 Å²	55	83.1 Å²	83.1	29%	0.294	40%	0.404	S	S	.	.	H	α-helix	trans	-64.8	-40.5	175.7	-76.7	-39.3	0	0	0	112.3	Y82 V115 F117 C121 R122 T123	Y82-N119 VanDerWaalsContact CE1-OD1 3.3Å; Y82-N119 WeakPolarHBondContact CE1-OD1 3.04Å; Y82-N119 PolarHBondContact OH-ND2 3.29Å; V115-N119 WeakPolarHBondContact CG1-ND2 3.28Å; V115-N119 WeakPolarHBondContact O-CB 3.24Å; V115-N119 PolarHBondContact O-N 3.37Å; V115-N119 PolarHBondContact O-ND2 3.19Å; V115-N119 VanDerWaalsContact O-ND2 3.16Å; F117-N119 VanDerWaalsContact C-N 3.34Å; F117-N119 PolarHBondContact O-N 3.31Å; N119-C121 PolarHBondContact O-N 3.48Å; N119-R122 PolarHBondContact O-N 3.29Å; N119-R122 VanDerWaalsContact O-N 3.15Å; N119-T123 WeakPolarHBondContact O-CG2 3.22Å; N119-T123 PolarHBondContact O-N 3.39Å; N119-T123 PolarHBondContact O-OG1 3.05Å; N119-T123 VanDerWaalsContact O-OG1 3.1Å
120	N	61	Low	60.9	Low	100 Å²	100	82.9 Å²	82.9	54%	0.535	40%	0.398	S	S	.	.	H	α-helix	trans	-66.5	-16.4	174.2	-80.9	-14.6	0	0	0	113.5	A116 F117 K124	A116-N120 VanDerWaalsContact O-CB 3.24Å; A116-N120 WeakPolarHBondContact O-CB 3.12Å; A116-N120 VanDerWaalsContact O-CG 3.25Å; A116-N120 PolarHBondContact O-N 3.17Å; A116-N120 PolarHBondContact O-ND2 3.18Å; F117-N120 CarbonylContact O-C 3.44Å; F117-N120 PolarHBondContact O-N 2.76Å; F117-N120 VanDerWaalsContact O-N 3.16Å; N120-K124 WeakPolarHBondContact O-CE 3.38Å; N120-K124 WeakPolarHBondContact O-CG 3.46Å
121	C	57.2	Low	60.8	Low	25 Å²	25	84.1 Å²	84.1	17%	0.169	40%	0.403	C	S	.	.	H	α-helix	trans	-84.1	-40.2	169.6	-62.1	0	0	0	0	110.9	A29 F117 F118 N119 T123 K124	A29-C121 HydrophobicContact CB-CB 3.69Å; F117-C121 PolarHBondContact O-N 2.77Å; F117-C121 PolarHBondContact O-SG 3.42Å; F118-C121 WeakPolarHBondContact O-CB 3.3Å; F118-C121 PolarHBondContact O-N 3.41Å; F118-C121 VanDerWaalsContact O-N 3.14Å; N119-C121 PolarHBondContact O-N 3.48Å; C121-T123 PolarHBondContact O-N 2.9Å; C121-K124 PolarHBondContact O-N 3.31Å
122	R	59	Low	61.3	Low	122 Å²	122	84.4 Å²	84.4	46%	0.46	41%	0.405	S	S	.	.	H	α-helix	trans	-65	-34.5	175	-98.6	179	78.2	139	-3.4	114.4	S80 D81 F118 N119 K124	S80-R122 PolarHBondContact O-NH1 3.49Å; D81-R122 IonicContact OD1-CZ 3.59Å; D81-R122 IonicContact OD1-NH1 3.27Å; D81-R122 PolarHBondContact OD1-NH1 2.87Å; F118-R122 PolarHBondContact O-N 3.35Å; F118-R122 VanDerWaalsContact O-N 3.11Å; N119-R122 PolarHBondContact O-N 3.29Å; N119-R122 VanDerWaalsContact O-N 3.15Å; R122-K124 VanDerWaalsContact C-N 3.27Å; R122-K124 PolarHBondContact O-N 2.94Å
123	T	49.5	Very low	61.8	Low	94 Å²	94	83 Å²	83	58%	0.577	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-78.8	-8.3	-176.1	51.5	0	0	0	0	113.7	N119 C121 D125	N119-T123 WeakPolarHBondContact O-CG2 3.22Å; N119-T123 PolarHBondContact O-N 3.39Å; N119-T123 PolarHBondContact O-OG1 3.05Å; N119-T123 VanDerWaalsContact O-OG1 3.1Å; C121-T123 PolarHBondContact O-N 2.9Å; T123-D125 VanDerWaalsContact C-N 3.26Å; T123-D125 PolarHBondContact O-N 3.07Å
124	K	46	Very low	62.8	Low	60 Å²	60	76.2 Å²	76.2	26%	0.261	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-72	-17	-179.9	-64.1	-167.3	164.9	-154.9	0	114.1	N120 C121 R122 R126 N130	N120-K124 WeakPolarHBondContact O-CE 3.38Å; N120-K124 WeakPolarHBondContact O-CG 3.46Å; C121-K124 PolarHBondContact O-N 3.31Å; R122-K124 VanDerWaalsContact C-N 3.27Å; R122-K124 PolarHBondContact O-N 2.94Å; K124-R126 PolarHBondContact O-N 3.36Å; K124-R126 VanDerWaalsContact O-N 3.14Å; K124-N130 HydrophobicContact CB-CB 3.73Å; K124-N130 HydrophobicContact CD-CB 3.75Å; K124-N130 WeakPolarHBondContact CD-OD1 3.45Å; K124-N130 VanDerWaalsContact CE-CG 3.48Å; K124-N130 WeakPolarHBondContact CE-OD1 3.49Å; K124-N130 HydrophobicContact CG-CB 3.88Å; K124-N130 VanDerWaalsContact CG-ND2 3.34Å; K124-N130 WeakPolarHBondContact CG-ND2 3.43Å; K124-N130 PolarHBondContact NZ-OD1 2.79Å
125	D	47.6	Very low	63.4	Low	124 Å²	124	77.2 Å²	77.2	66%	0.663	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-76.8	11.7	-180	-93.6	-24.9	0	0	0	115.6	T123	T123-D125 VanDerWaalsContact C-N 3.26Å; T123-D125 PolarHBondContact O-N 3.07Å
126	R	43.5	Very low	64	Low	230 Å²	230	81.7 Å²	81.7	87%	0.868	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-130.6	-6.2	178.5	-71.2	-168.8	177.1	-172.8	-0.9	117.6	K124	K124-R126 PolarHBondContact O-N 3.36Å; K124-R126 VanDerWaalsContact O-N 3.14Å
127	N	43.4	Very low	65.1	Low	118 Å²	118	80.4 Å²	80.4	63%	0.631	39%	0.393	S	S	*	.	S	Bend	trans	-132.4	130.2	177.4	-79.1	-19.3	0	0	0	111.1	E129 N130	N127-E129 PolarHBondContact O-N 3.04Å; N127-N130 PolarHBondContact O-N 3.46Å
128	K	51.7	Low	66.2	Low	186 Å²	186	78.6 Å²	78.6	81%	0.809	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-50.5	-12.4	-179.1	-73.5	-179.3	175.5	179.1	0	115.7	N130	K128-N130 PolarHBondContact O-N 2.73Å
129	E	52.1	Low	67.1	Low	174 Å²	174	80.7 Å²	80.7	81%	0.813	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-69.2	-12.4	-179.5	-67.5	-174.7	160.8	0	0	114.6	N127	N127-E129 PolarHBondContact O-N 3.04Å
130	N	58.5	Low	68	Low	58 Å²	58	83.6 Å²	83.6	31%	0.31	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-116	7.1	-179.4	-75.7	-62.4	0	0	0	115.5	K124 N127 K128	K124-N130 HydrophobicContact CB-CB 3.73Å; K124-N130 HydrophobicContact CD-CB 3.75Å; K124-N130 WeakPolarHBondContact CD-OD1 3.45Å; K124-N130 VanDerWaalsContact CE-CG 3.48Å; K124-N130 WeakPolarHBondContact CE-OD1 3.49Å; K124-N130 HydrophobicContact CG-CB 3.88Å; K124-N130 VanDerWaalsContact CG-ND2 3.34Å; K124-N130 WeakPolarHBondContact CG-ND2 3.43Å; K124-N130 PolarHBondContact NZ-OD1 2.79Å; N127-N130 PolarHBondContact O-N 3.46Å; K128-N130 PolarHBondContact O-N 2.73Å
131	M	67.1	Low	69.2	Low	78 Å²	78	83.3 Å²	83.3	38%	0.384	42%	0.415	S	S	.	.			trans	-60.7	140.8	174.9	-67	-89.7	-76.4	0	0	110.2	S135 L136	M131-S135 WeakPolarHBondContact CE-O 3.04Å; M131-L136 HydrophobicContact CB-CD1 4.47Å; M131-L136 HydrophobicContact CB-CD2 3.72Å; M131-L136 HydrophobicContact CB-CG 3.69Å; M131-L136 HydrophobicContact CG-CD2 4.36Å
132	S	82	Confident	70.7	Confident	7 Å²	7	82.6 Å²	82.6	5%	0.049	41%	0.41	C	S	.	.			trans	-65.8	160.7	173.7	79.2	0	0	0	0	111.2	F134 S135 L136 D241	S132-F134 PolarHBondContact O-N 3.41Å; S132-F134 PolarHBondContact OG-N 3.28Å; S132-S135 PolarHBondContact O-N 2.9Å; S132-S135 PolarHBondContact OG-N 2.86Å; S132-S135 PolarHBondContact OG-OG 3.23Å; S132-S135 VanDerWaalsContact OG-OG 3.11Å; S132-L136 WeakPolarHBondContact O-CB 3.23Å; S132-L136 VanDerWaalsContact O-CG 3.32Å; S132-L136 WeakPolarHBondContact O-CG 3.44Å; S132-L136 PolarHBondContact O-N 3.32Å; S132-D241 WeakPolarHBondContact CB-OD1 3.12Å; S132-D241 WeakPolarHBondContact CB-OD2 3.25Å; S132-D241 PolarHBondContact OG-OD2 2.7Å
133	A	87.1	Confident	72.1	Confident	37 Å²	37	77.3 Å²	77.3	31%	0.306	39%	0.392	S	S	.	.	H	α-helix	trans	-57.1	-35.4	174.8	0	0	0	0	0	111.1	R137 E240	A133-R137 WeakPolarHBondContact O-CD 3.4Å; A133-R137 VanDerWaalsContact O-CG 3.28Å; A133-R137 WeakPolarHBondContact O-CG 3.1Å; A133-R137 PolarHBondContact O-N 2.8Å; A133-E240 HydrophobicContact CB-CB 4.44Å; A133-E240 HydrophobicContact CB-CG 4.03Å
134	F	89.7	Confident	74	Confident	10 Å²	10	76.4 Å²	76.4	4%	0.044	39%	0.387	C	S	.	.	H	α-helix	trans	-65.8	-50.7	173.6	-174.3	-87.7	0	0	0	112.7	S132 L136 R137 T138 A143 F147 M238 E240 L443	S132-F134 PolarHBondContact O-N 3.41Å; S132-F134 PolarHBondContact OG-N 3.28Å; F134-L136 PolarHBondContact O-N 3.04Å; F134-R137 WeakPolarHBondContact O-CG 3.4Å; F134-R137 PolarHBondContact O-N 3.43Å; F134-R137 VanDerWaalsContact O-N 3.17Å; F134-T138 HydrophobicContact CE1-CG2 4.1Å; F134-T138 HydrophobicContact CZ-CG2 4.05Å; F134-T138 WeakPolarHBondContact O-CB 3.37Å; F134-T138 PolarHBondContact O-N 3.03Å; F134-T138 VanDerWaalsContact O-N 3.08Å; F134-T138 PolarHBondContact O-OG1 3.46Å; F134-A143 HydrophobicContact CE1-CB 3.67Å; F134-A143 HydrophobicContact CZ-CB 4.1Å; F134-F147 AromaticContact CE1-CE2 3.8Å; F134-F147 HydrophobicContact CE1-CE2 3.8Å; F134-F147 HydrophobicContact CE1-CZ 4.06Å; F134-F147 HydrophobicContact CE2-CZ 4.05Å; F134-F147 AromaticContact CZ-CE2 3.7Å; F134-F147 HydrophobicContact CZ-CE2 3.7Å; F134-F147 AromaticContact CZ-CZ 3.6Å; F134-F147 HydrophobicContact CZ-CZ 3.6Å; F134-M238 HydrophobicContact CB-SD 4.09Å; F134-M238 HydrophobicContact CD1-CE 4.38Å; F134-M238 HydrophobicContact CD1-SD 3.25Å; F134-M238 WeakPolarHBondContact CD1-SD 3.5Å; F134-M238 HydrophobicContact CD2-SD 4.43Å; F134-M238 HydrophobicContact CE1-SD 3.7Å; F134-M238 HydrophobicContact CG-SD 3.67Å; F134-M238 HydrophobicContact CZ-SD 4.46Å; F134-E240 HydrophobicContact CB-CB 4.38Å; F134-E240 HydrophobicContact CB-CG 4.05Å; F134-L443 HydrophobicContact CE2-CD2 4.03Å; F134-L443 HydrophobicContact CZ-CD2 4.15Å
135	S	87.3	Confident	76.1	Confident	33 Å²	33	79 Å²	79	23%	0.231	40%	0.399	C	S	.	.	H	α-helix	trans	-65.8	-26.4	-179.6	-56.6	0	0	0	0	112.9	M131 S132	M131-S135 WeakPolarHBondContact CE-O 3.04Å; S132-S135 PolarHBondContact O-N 2.9Å; S132-S135 PolarHBondContact OG-N 2.86Å; S132-S135 PolarHBondContact OG-OG 3.23Å; S132-S135 VanDerWaalsContact OG-OG 3.11Å
136	L	87.8	Confident	78.2	Confident	107 Å²	107	74.5 Å²	74.5	56%	0.56	37%	0.374	S	S	*	.	H	α-helix	trans	-70.3	-34.1	175.6	-75.6	169.1	0	0	0	112.8	M131 S132 F134	M131-L136 HydrophobicContact CB-CD1 4.47Å; M131-L136 HydrophobicContact CB-CD2 3.72Å; M131-L136 HydrophobicContact CB-CG 3.69Å; M131-L136 HydrophobicContact CG-CD2 4.36Å; S132-L136 WeakPolarHBondContact O-CB 3.23Å; S132-L136 VanDerWaalsContact O-CG 3.32Å; S132-L136 WeakPolarHBondContact O-CG 3.44Å; S132-L136 PolarHBondContact O-N 3.32Å; F134-L136 PolarHBondContact O-N 3.04Å
137	R	91.8	Very high	80.4	Confident	22 Å²	22	65.6 Å²	65.6	8%	0.083	34%	0.341	C	S	.	.	H	α-helix	trans	-99.6	-12.2	-171.9	71	-172.1	178.9	92.4	1.3	114.6	A133 F134 E240 R264 E267 S268	A133-R137 WeakPolarHBondContact O-CD 3.4Å; A133-R137 VanDerWaalsContact O-CG 3.28Å; A133-R137 WeakPolarHBondContact O-CG 3.1Å; A133-R137 PolarHBondContact O-N 2.8Å; F134-R137 WeakPolarHBondContact O-CG 3.4Å; F134-R137 PolarHBondContact O-N 3.43Å; F134-R137 VanDerWaalsContact O-N 3.17Å; R137-E240 IonicContact NH2-OE1 2.76Å; R137-E240 PolarHBondContact NH2-OE1 3.17Å; R137-E240 VanDerWaalsContact NH2-OE1 3.12Å; R137-R264 PolarHBondContact NH1-O 3.16Å; R137-R264 PolarHBondContact O-NH1 3.11Å; R137-E267 WeakPolarHBondContact CD-OE2 3.4Å; R137-E267 IonicContact CZ-OE2 2.74Å; R137-E267 IonicContact NE-OE2 2.65Å; R137-E267 PolarHBondContact NE-OE2 2.64Å; R137-E267 IonicContact NH1-OE1 3.84Å; R137-E267 IonicContact NH1-OE2 3.58Å; R137-E267 PolarHBondContact NH1-OE2 2.93Å; R137-S268 PolarHBondContact NH2-OG 3.48Å
138	T	90.1	Very high	82.6	Confident	7 Å²	7	65.8 Å²	65.8	4%	0.043	34%	0.338	C	S	.	.	S	Bend	trans	-124.8	138.4	-173.2	-55.4	0	0	0	0	111.1	F134 A143 K441 L443	F134-T138 HydrophobicContact CE1-CG2 4.1Å; F134-T138 HydrophobicContact CZ-CG2 4.05Å; F134-T138 WeakPolarHBondContact O-CB 3.37Å; F134-T138 PolarHBondContact O-N 3.03Å; F134-T138 VanDerWaalsContact O-N 3.08Å; F134-T138 PolarHBondContact O-OG1 3.46Å; T138-A143 HydrophobicContact CG2-CB 3.83Å; T138-K441 WeakPolarHBondContact CA-O 3.37Å; T138-L443 HydrophobicContact CG2-CD1 3.94Å; T138-L443 HydrophobicContact CG2-CD2 3.64Å; T138-L443 HydrophobicContact CG2-CG 3.56Å; T138-L443 VanDerWaalsContact OG1-CD2 3.3Å; T138-L443 WeakPolarHBondContact OG1-CD2 3.41Å
139	D	89	Confident	84.4	Confident	47 Å²	47	59.8 Å²	59.8	25%	0.251	31%	0.312	S	S	.	.			trans	-77.5	143.4	170.3	68.5	83.9	0	0	0	112.1	V141 S142 A143 K441	D139-V141 PolarHBondContact O-N 2.71Å; D139-V141 VanDerWaalsContact O-N 3.16Å; D139-V141 PolarHBondContact OD1-N 3.23Å; D139-S142 PolarHBondContact O-N 3.23Å; D139-S142 VanDerWaalsContact O-N 3.14Å; D139-S142 VanDerWaalsContact OD1-CB 3.23Å; D139-S142 WeakPolarHBondContact OD1-CB 3.49Å; D139-S142 PolarHBondContact OD1-N 3.11Å; D139-S142 PolarHBondContact OD1-OG 3.29Å; D139-S142 PolarHBondContact OD2-OG 2.98Å; D139-A143 PolarHBondContact O-N 3.39Å; D139-K441 HydrophobicContact CB-CB 4.38Å; D139-K441 PolarHBondContact N-O 3.41Å
140	D	85.8	Confident	86.3	Confident	117 Å²	117	53.1 Å²	53.1	63%	0.626	28%	0.28	S	S	*	.	H	α-helix	trans	-58.5	-33.3	-172.3	-62.9	-27	0	0	0	113.3	T144	D140-T144 WeakPolarHBondContact O-CB 3.4Å; D140-T144 PolarHBondContact O-N 3.26Å; D140-T144 PolarHBondContact O-OG1 3.43Å
141	V	87	Confident	87.9	Confident	94 Å²	94	50.9 Å²	50.9	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-68.1	-48.9	179.4	179.5	0	0	0	0	109.9	D139 T144 Q145	D139-V141 PolarHBondContact O-N 2.71Å; D139-V141 VanDerWaalsContact O-N 3.16Å; D139-V141 PolarHBondContact OD1-N 3.23Å; V141-T144 PolarHBondContact O-N 2.67Å; V141-Q145 WeakPolarHBondContact O-CG 3.35Å; V141-Q145 PolarHBondContact O-N 3.46Å
142	S	89.4	Confident	89.1	Confident	9 Å²	9	53 Å²	53	6%	0.063	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-41.2	177.9	-62.8	0	0	0	0	111.9	D139 Y146 R442	D139-S142 PolarHBondContact O-N 3.23Å; D139-S142 VanDerWaalsContact O-N 3.14Å; D139-S142 VanDerWaalsContact OD1-CB 3.23Å; D139-S142 WeakPolarHBondContact OD1-CB 3.49Å; D139-S142 PolarHBondContact OD1-N 3.11Å; D139-S142 PolarHBondContact OD1-OG 3.29Å; D139-S142 PolarHBondContact OD2-OG 2.98Å; S142-Y146 WeakPolarHBondContact O-CB 3.44Å; S142-Y146 PolarHBondContact O-N 2.83Å; S142-R442 WeakPolarHBondContact OG-CA 3.49Å
143	A	88.4	Confident	89.8	Confident	12 Å²	12	57.4 Å²	57.4	10%	0.099	30%	0.3	C	S	.	.	H	α-helix	trans	-59.8	-48.1	174.1	0	0	0	0	0	112	F134 T138 D139 Y146 F147	F134-A143 HydrophobicContact CE1-CB 3.67Å; F134-A143 HydrophobicContact CZ-CB 4.1Å; T138-A143 HydrophobicContact CG2-CB 3.83Å; D139-A143 PolarHBondContact O-N 3.39Å; A143-Y146 WeakPolarHBondContact O-CB 3.38Å; A143-Y146 PolarHBondContact O-N 3.31Å; A143-F147 HydrophobicContact CB-CE2 4.42Å; A143-F147 WeakPolarHBondContact O-CD2 3.47Å; A143-F147 PolarHBondContact O-N 3.41Å
144	T	89	Confident	90.2	Very high	74 Å²	74	58.6 Å²	58.6	45%	0.454	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-47.2	-179.1	-59	0	0	0	0	111.2	D140 V141 Y146 F147 Q148	D140-T144 WeakPolarHBondContact O-CB 3.4Å; D140-T144 PolarHBondContact O-N 3.26Å; D140-T144 PolarHBondContact O-OG1 3.43Å; V141-T144 PolarHBondContact O-N 2.67Å; T144-Y146 VanDerWaalsContact C-N 3.33Å; T144-Y146 PolarHBondContact O-N 2.98Å; T144-F147 PolarHBondContact O-N 3.25Å; T144-Q148 HydrophobicContact CG2-CG 4.42Å; T144-Q148 WeakPolarHBondContact O-CB 3.27Å; T144-Q148 VanDerWaalsContact O-CG 3.25Å; T144-Q148 WeakPolarHBondContact O-CG 3.28Å; T144-Q148 PolarHBondContact O-N 3.06Å
145	Q	89.6	Confident	90.3	Very high	114 Å²	114	59.1 Å²	59.1	53%	0.533	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-41.3	177.9	-72.8	177.3	-17.4	0	0	111.9	V141 Q148 F149	V141-Q145 WeakPolarHBondContact O-CG 3.35Å; V141-Q145 PolarHBondContact O-N 3.46Å; Q145-Q148 PolarHBondContact O-N 3.24Å; Q145-F149 WeakPolarHBondContact O-CB 3.21Å; Q145-F149 PolarHBondContact O-N 3.33Å
146	Y	92.2	Very high	90.6	Very high	31 Å²	31	58.2 Å²	58.2	12%	0.122	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-52.7	177.7	178.1	-93.7	0	0	0	112	S142 A143 T144 Q148 F149 Y150 E263 L443	S142-Y146 WeakPolarHBondContact O-CB 3.44Å; S142-Y146 PolarHBondContact O-N 2.83Å; A143-Y146 WeakPolarHBondContact O-CB 3.38Å; A143-Y146 PolarHBondContact O-N 3.31Å; T144-Y146 VanDerWaalsContact C-N 3.33Å; T144-Y146 PolarHBondContact O-N 2.98Å; Y146-Q148 VanDerWaalsContact C-N 3.35Å; Y146-Q148 PolarHBondContact O-N 3.14Å; Y146-F149 WeakPolarHBondContact O-CB 3.47Å; Y146-F149 PolarHBondContact O-N 2.8Å; Y146-Y150 HydrophobicContact CD1-CD2 4.21Å; Y146-Y150 HydrophobicContact CD2-CD2 4.19Å; Y146-Y150 AromaticContact CD2-CE2 3.88Å; Y146-Y150 HydrophobicContact CD2-CE2 3.88Å; Y146-Y150 AromaticContact CE1-CD2 3.87Å; Y146-Y150 HydrophobicContact CE1-CD2 3.87Å; Y146-Y150 HydrophobicContact CE1-CE2 4.08Å; Y146-Y150 AromaticContact CE2-CD2 3.89Å; Y146-Y150 HydrophobicContact CE2-CD2 3.89Å; Y146-Y150 AromaticContact CE2-CE2 3.31Å; Y146-Y150 HydrophobicContact CE2-CE2 3.31Å; Y146-Y150 HydrophobicContact CG-CD2 4.34Å; Y146-Y150 HydrophobicContact CG-CE2 4.49Å; Y146-Y150 AromaticContact CZ-CD2 3.69Å; Y146-Y150 AromaticContact CZ-CE2 3.4Å; Y146-Y150 VanDerWaalsContact CZ-CE2 3.4Å; Y146-Y150 WeakPolarHBondContact O-CD2 3.2Å; Y146-Y150 PolarHBondContact O-N 3.38Å; Y146-Y150 VanDerWaalsContact O-N 3.15Å; Y146-E263 HydrophobicContact CE2-CB 3.82Å; Y146-E263 HydrophobicContact CE2-CG 4.06Å; Y146-E263 WeakPolarHBondContact CE2-OE2 3.41Å; Y146-L443 HydrophobicContact CD1-CD1 4.18Å; Y146-L443 HydrophobicContact CD2-CD1 3.83Å; Y146-L443 HydrophobicContact CG-CD1 3.58Å
147	F	89.1	Confident	91	Very high	42 Å²	42	57.7 Å²	57.7	18%	0.184	30%	0.296	C	S	.	.	H	α-helix	trans	-70.1	-31.4	-179.8	-64.3	-53.3	0	0	0	112.8	F134 A143 T144 Y150 G151 A212 S213 M238	F134-F147 AromaticContact CE1-CE2 3.8Å; F134-F147 HydrophobicContact CE1-CE2 3.8Å; F134-F147 HydrophobicContact CE1-CZ 4.06Å; F134-F147 HydrophobicContact CE2-CZ 4.05Å; F134-F147 AromaticContact CZ-CE2 3.7Å; F134-F147 HydrophobicContact CZ-CE2 3.7Å; F134-F147 AromaticContact CZ-CZ 3.6Å; F134-F147 HydrophobicContact CZ-CZ 3.6Å; A143-F147 HydrophobicContact CB-CE2 4.42Å; A143-F147 WeakPolarHBondContact O-CD2 3.47Å; A143-F147 PolarHBondContact O-N 3.41Å; T144-F147 PolarHBondContact O-N 3.25Å; F147-Y150 PolarHBondContact O-N 3.07Å; F147-G151 PolarHBondContact O-N 3.29Å; F147-A212 HydrophobicContact CD1-CB 3.79Å; F147-A212 HydrophobicContact CE1-CB 3.41Å; F147-A212 VanDerWaalsContact CE1-CB 3.41Å; F147-A212 HydrophobicContact CZ-CB 3.82Å; F147-S213 WeakPolarHBondContact O-CB 3.38Å; F147-M238 HydrophobicContact CE2-CG 4.34Å; F147-M238 HydrophobicContact CE2-SD 4.03Å; F147-M238 HydrophobicContact CZ-CG 4.02Å; F147-M238 HydrophobicContact CZ-SD 4.14Å
148	Q	90.7	Very high	91	Very high	122 Å²	122	59 Å²	59	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-63.1	-42.4	171.3	-78	178.5	-10.2	0	0	111.7	T144 Q145 Y146 G151 F152	T144-Q148 HydrophobicContact CG2-CG 4.42Å; T144-Q148 WeakPolarHBondContact O-CB 3.27Å; T144-Q148 VanDerWaalsContact O-CG 3.25Å; T144-Q148 WeakPolarHBondContact O-CG 3.28Å; T144-Q148 PolarHBondContact O-N 3.06Å; Q145-Q148 PolarHBondContact O-N 3.24Å; Y146-Q148 VanDerWaalsContact C-N 3.35Å; Y146-Q148 PolarHBondContact O-N 3.14Å; Q148-G151 PolarHBondContact O-N 3.31Å; Q148-F152 WeakPolarHBondContact O-CD2 3.16Å; Q148-F152 WeakPolarHBondContact O-CE2 3.23Å
149	F	89.2	Confident	91.2	Very high	60 Å²	60	59.5 Å²	59.5	26%	0.263	31%	0.306	S	S	.	.	H	α-helix	trans	-58.6	-48.8	177.1	178.5	-95.5	0	0	0	111.5	Q145 Y146 G151 F152 Q155	Q145-F149 WeakPolarHBondContact O-CB 3.21Å; Q145-F149 PolarHBondContact O-N 3.33Å; Y146-F149 WeakPolarHBondContact O-CB 3.47Å; Y146-F149 PolarHBondContact O-N 2.8Å; F149-G151 PolarHBondContact O-N 3.33Å; F149-F152 PolarHBondContact O-N 2.78Å; F149-Q155 HydrophobicContact CD1-CG 4.27Å; F149-Q155 HydrophobicContact CD2-CG 4.17Å; F149-Q155 HydrophobicContact CE1-CB 4.25Å; F149-Q155 HydrophobicContact CE1-CG 3.92Å; F149-Q155 HydrophobicContact CE2-CG 3.82Å; F149-Q155 VanDerWaalsContact CE2-NE2 3.3Å; F149-Q155 HydrophobicContact CG-CG 4.39Å; F149-Q155 HydrophobicContact CZ-CB 4.38Å; F149-Q155 HydrophobicContact CZ-CG 3.68Å; F149-Q155 WeakPolarHBondContact O-CG 3.17Å
150	Y	91.6	Very high	91.4	Very high	35 Å²	35	60.9 Å²	60.9	14%	0.137	31%	0.312	C	S	.	.	H	α-helix	trans	-72.6	-15	178.9	-77.2	-67.8	0	0	0	114.6	Y146 F147 F152 Q156 M159 E263	Y146-Y150 HydrophobicContact CD1-CD2 4.21Å; Y146-Y150 HydrophobicContact CD2-CD2 4.19Å; Y146-Y150 AromaticContact CD2-CE2 3.88Å; Y146-Y150 HydrophobicContact CD2-CE2 3.88Å; Y146-Y150 AromaticContact CE1-CD2 3.87Å; Y146-Y150 HydrophobicContact CE1-CD2 3.87Å; Y146-Y150 HydrophobicContact CE1-CE2 4.08Å; Y146-Y150 AromaticContact CE2-CD2 3.89Å; Y146-Y150 HydrophobicContact CE2-CD2 3.89Å; Y146-Y150 AromaticContact CE2-CE2 3.31Å; Y146-Y150 HydrophobicContact CE2-CE2 3.31Å; Y146-Y150 HydrophobicContact CG-CD2 4.34Å; Y146-Y150 HydrophobicContact CG-CE2 4.49Å; Y146-Y150 AromaticContact CZ-CD2 3.69Å; Y146-Y150 AromaticContact CZ-CE2 3.4Å; Y146-Y150 VanDerWaalsContact CZ-CE2 3.4Å; Y146-Y150 WeakPolarHBondContact O-CD2 3.2Å; Y146-Y150 PolarHBondContact O-N 3.38Å; Y146-Y150 VanDerWaalsContact O-N 3.15Å; F147-Y150 PolarHBondContact O-N 3.07Å; Y150-F152 VanDerWaalsContact C-N 3.25Å; Y150-F152 PolarHBondContact O-N 3.17Å; Y150-Q156 PolarHBondContact O-NE2 3.2Å; Y150-M159 HydrophobicContact CD1-CE 3.95Å; Y150-M159 HydrophobicContact CE1-CE 3.87Å; Y150-M159 HydrophobicContact CE1-SD 3.86Å; Y150-E263 VanDerWaalsContact OH-CD 3.31Å; Y150-E263 PolarHBondContact OH-OE1 3.33Å; Y150-E263 PolarHBondContact OH-OE2 3.25Å
151	G	91.2	Very high	91.9	Very high	11 Å²	11	60.6 Å²	60.6	11%	0.113	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10	172.2	0	0	0	0	0	114.8	F147 Q148 F149 M215	F147-G151 PolarHBondContact O-N 3.29Å; Q148-G151 PolarHBondContact O-N 3.31Å; F149-G151 PolarHBondContact O-N 3.33Å; G151-M215 VanDerWaalsContact C-CE 3.43Å; G151-M215 WeakPolarHBondContact O-CE 3.43Å
152	F	93.2	Very high	92.3	Very high	123 Å²	123	56.8 Å²	56.8	54%	0.539	28%	0.284	S	S	.	.			trans	-87.1	129.1	177.6	-70.6	-72.4	0	0	0	112.6	Q148 F149 Y150 S154 Q155 Q156	Q148-F152 WeakPolarHBondContact O-CD2 3.16Å; Q148-F152 WeakPolarHBondContact O-CE2 3.23Å; F149-F152 PolarHBondContact O-N 2.78Å; Y150-F152 VanDerWaalsContact C-N 3.25Å; Y150-F152 PolarHBondContact O-N 3.17Å; F152-S154 PolarHBondContact O-N 2.79Å; F152-Q155 HydrophobicContact CB-CG 4.1Å; F152-Q155 PolarHBondContact O-N 3.29Å; F152-Q155 VanDerWaalsContact O-N 3.07Å; F152-Q156 PolarHBondContact O-N 2.81Å
153	L	95.8	Very high	92.6	Very high	99 Å²	99	63.9 Å²	63.9	52%	0.518	31%	0.314	S	S	.	.	H	α-helix	trans	-58.5	-33.8	175.3	-75.3	172.4	0	0	0	112.9	Q155 Q156 Q157 M215 H218	L153-Q155 VanDerWaalsContact C-N 3.27Å; L153-Q155 PolarHBondContact O-N 3.4Å; L153-Q156 PolarHBondContact O-N 2.89Å; L153-Q157 WeakPolarHBondContact O-CB 3.41Å; L153-Q157 PolarHBondContact O-N 2.95Å; L153-M215 HydrophobicContact CD2-CE 4.1Å; L153-M215 HydrophobicContact CD2-SD 3.86Å; L153-M215 HydrophobicContact CG-CE 4.37Å; L153-H218 HydrophobicContact CD2-CB 4.34Å
154	S	95.3	Very high	93.1	Very high	62 Å²	62	65 Å²	65	43%	0.434	32%	0.319	S	S	.	.	H	α-helix	trans	-62	-35.6	177.1	56.7	0	0	0	0	112.3	F152 Q157 N158	F152-S154 PolarHBondContact O-N 2.79Å; S154-Q157 PolarHBondContact O-N 2.57Å; S154-N158 PolarHBondContact O-N 3.21Å; S154-N158 PolarHBondContact O-ND2 2.74Å; S154-N158 PolarHBondContact O-OD1 2.75Å
155	Q	91.8	Very high	93.5	Very high	21 Å²	21	62.7 Å²	62.7	10%	0.098	30%	0.302	C	S	.	.	H	α-helix	trans	-72.6	-40.6	177.1	-58.3	-54.8	-13.1	0	0	111.5	F149 F152 L153 Q157 N158 M159	F149-Q155 HydrophobicContact CD1-CG 4.27Å; F149-Q155 HydrophobicContact CD2-CG 4.17Å; F149-Q155 HydrophobicContact CE1-CB 4.25Å; F149-Q155 HydrophobicContact CE1-CG 3.92Å; F149-Q155 HydrophobicContact CE2-CG 3.82Å; F149-Q155 VanDerWaalsContact CE2-NE2 3.3Å; F149-Q155 HydrophobicContact CG-CG 4.39Å; F149-Q155 HydrophobicContact CZ-CB 4.38Å; F149-Q155 HydrophobicContact CZ-CG 3.68Å; F149-Q155 WeakPolarHBondContact O-CG 3.17Å; F152-Q155 HydrophobicContact CB-CG 4.1Å; F152-Q155 PolarHBondContact O-N 3.29Å; F152-Q155 VanDerWaalsContact O-N 3.07Å; L153-Q155 VanDerWaalsContact C-N 3.27Å; L153-Q155 PolarHBondContact O-N 3.4Å; Q155-Q157 VanDerWaalsContact C-N 3.3Å; Q155-Q157 PolarHBondContact O-N 3.03Å; Q155-N158 WeakPolarHBondContact O-CB 3.19Å; Q155-N158 PolarHBondContact O-N 3.33Å; Q155-N158 PolarHBondContact OE1-ND2 2.82Å; Q155-N158 VanDerWaalsContact OE1-ND2 3.14Å; Q155-M159 WeakPolarHBondContact O-CG 3.39Å; Q155-M159 PolarHBondContact O-N 3.31Å; Q155-M159 VanDerWaalsContact O-N 3.13Å
156	Q	95.3	Very high	93.9	Very high	13 Å²	13	58.4 Å²	58.4	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-41.3	172.4	-59.6	-63.8	-30.4	0	0	111.6	Y150 F152 L153 M159 M160 M215	Y150-Q156 PolarHBondContact O-NE2 3.2Å; F152-Q156 PolarHBondContact O-N 2.81Å; L153-Q156 PolarHBondContact O-N 2.89Å; Q156-M159 HydrophobicContact CG-CE 4.47Å; Q156-M159 PolarHBondContact O-N 3.38Å; Q156-M159 VanDerWaalsContact OE1-CE 3.24Å; Q156-M160 WeakPolarHBondContact O-CB 3.33Å; Q156-M160 VanDerWaalsContact O-CG 3.27Å; Q156-M160 WeakPolarHBondContact O-CG 3.25Å; Q156-M160 PolarHBondContact O-N 2.82Å; Q156-M215 HydrophobicContact CG-CE 3.5Å; Q156-M215 VanDerWaalsContact CG-CE 3.5Å; Q156-M215 HydrophobicContact CG-CG 3.91Å; Q156-M215 HydrophobicContact CG-SD 3.72Å
157	Q	95.6	Very high	94.2	Very high	97 Å²	97	58.3 Å²	58.3	45%	0.453	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-45.6	175	179.5	-178.7	-20.3	0	0	111.6	L153 S154 Q155 M159 M160 Q161	L153-Q157 WeakPolarHBondContact O-CB 3.41Å; L153-Q157 PolarHBondContact O-N 2.95Å; S154-Q157 PolarHBondContact O-N 2.57Å; Q155-Q157 VanDerWaalsContact C-N 3.3Å; Q155-Q157 PolarHBondContact O-N 3.03Å; Q157-M159 VanDerWaalsContact C-N 3.25Å; Q157-M159 PolarHBondContact O-N 2.9Å; Q157-M160 PolarHBondContact O-N 3.33Å; Q157-M160 VanDerWaalsContact O-N 3.16Å; Q157-Q161 HydrophobicContact CG-CG 3.99Å; Q157-Q161 VanDerWaalsContact NE2-OE1 3.15Å; Q157-Q161 WeakPolarHBondContact O-CB 3.35Å; Q157-Q161 WeakPolarHBondContact O-CG 3.46Å; Q157-Q161 PolarHBondContact O-N 3.23Å
158	N	91.1	Very high	94.6	Very high	48 Å²	48	57.3 Å²	57.3	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-55.3	-44.2	177.4	-70.1	-21.2	0	0	0	111.3	S154 Q155 D162	S154-N158 PolarHBondContact O-N 3.21Å; S154-N158 PolarHBondContact O-ND2 2.74Å; S154-N158 PolarHBondContact O-OD1 2.75Å; Q155-N158 WeakPolarHBondContact O-CB 3.19Å; Q155-N158 PolarHBondContact O-N 3.33Å; Q155-N158 PolarHBondContact OE1-ND2 2.82Å; Q155-N158 VanDerWaalsContact OE1-ND2 3.14Å; N158-D162 PolarHBondContact O-N 2.87Å
159	M	94.1	Very high	95	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.089	26%	0.258	C	S	.	.	H	α-helix	trans	-66.6	-42.9	176.9	-68.3	-170.3	-66.8	0	0	112.7	Y150 Q155 Q156 Q157 D162 R165 T166	Y150-M159 HydrophobicContact CD1-CE 3.95Å; Y150-M159 HydrophobicContact CE1-CE 3.87Å; Y150-M159 HydrophobicContact CE1-SD 3.86Å; Q155-M159 WeakPolarHBondContact O-CG 3.39Å; Q155-M159 PolarHBondContact O-N 3.31Å; Q155-M159 VanDerWaalsContact O-N 3.13Å; Q156-M159 HydrophobicContact CG-CE 4.47Å; Q156-M159 PolarHBondContact O-N 3.38Å; Q156-M159 VanDerWaalsContact OE1-CE 3.24Å; Q157-M159 VanDerWaalsContact C-N 3.25Å; Q157-M159 PolarHBondContact O-N 2.9Å; M159-D162 PolarHBondContact O-N 3.17Å; M159-R165 PolarHBondContact SD-NH1 3.35Å; M159-T166 PolarHBondContact O-OG1 3.5Å
160	M	94	Very high	95.4	Very high	77 Å²	77	51.9 Å²	51.9	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-72.7	-27.3	-179.6	-70.7	174.1	61.4	0	0	113.4	Q156 Q157 D162 T166 S192 I194	Q156-M160 WeakPolarHBondContact O-CB 3.33Å; Q156-M160 VanDerWaalsContact O-CG 3.27Å; Q156-M160 WeakPolarHBondContact O-CG 3.25Å; Q156-M160 PolarHBondContact O-N 2.82Å; Q157-M160 PolarHBondContact O-N 3.33Å; Q157-M160 VanDerWaalsContact O-N 3.16Å; M160-D162 VanDerWaalsContact C-N 3.33Å; M160-T166 PolarHBondContact O-OG1 3.25Å; M160-S192 PolarHBondContact SD-OG 2.93Å; M160-I194 HydrophobicContact CE-CD1 4.3Å; M160-I194 HydrophobicContact CE-CG1 4.49Å
161	Q	95.7	Very high	95.8	Very high	110 Å²	110	57.9 Å²	57.9	51%	0.514	28%	0.283	S	S	.	.	H	α-helix	trans	-79.4	-15.6	176.2	-74.8	-172.2	-52.4	0	0	113.1	Q157 F163	Q157-Q161 HydrophobicContact CG-CG 3.99Å; Q157-Q161 VanDerWaalsContact NE2-OE1 3.15Å; Q157-Q161 WeakPolarHBondContact O-CB 3.35Å; Q157-Q161 WeakPolarHBondContact O-CG 3.46Å; Q157-Q161 PolarHBondContact O-N 3.23Å; Q161-F163 VanDerWaalsContact C-N 3.3Å; Q161-F163 PolarHBondContact O-N 2.78Å
162	D	95.6	Very high	96.1	Very high	14 Å²	14	57.3 Å²	57.3	8%	0.075	28%	0.277	C	S	.	.			trans	-66.3	96	163.2	-174	-25.9	0	0	0	108.6	N158 M159 M160 V164 R165 T166 T410 H411	N158-D162 PolarHBondContact O-N 2.87Å; M159-D162 PolarHBondContact O-N 3.17Å; M160-D162 VanDerWaalsContact C-N 3.33Å; D162-V164 VanDerWaalsContact C-N 3.34Å; D162-V164 PolarHBondContact OD1-N 3.15Å; D162-R165 HydrophobicContact CB-CB 3.86Å; D162-R165 VanDerWaalsContact CG-CB 3.45Å; D162-R165 PolarHBondContact O-N 3.14Å; D162-R165 WeakPolarHBondContact OD1-CB 3.41Å; D162-R165 PolarHBondContact OD1-N 2.9Å; D162-T166 WeakPolarHBondContact O-CB 3.24Å; D162-T166 PolarHBondContact O-N 2.87Å; D162-T166 PolarHBondContact O-OG1 2.9Å; D162-T166 VanDerWaalsContact O-OG1 3.12Å; D162-T410 WeakPolarHBondContact OD2-CA 3.46Å; D162-T410 WeakPolarHBondContact OD2-CB 3.37Å; D162-H411 IonicContact OD2-CE1 2.74Å; D162-H411 IonicContact OD2-CG 3.47Å; D162-H411 PolarHBondContact OD2-N 3.16Å; D162-H411 IonicContact OD2-ND1 3.66Å; D162-H411 PolarHBondContact OD2-ND1 3.43Å
163	F	96.8	Very high	96.4	Very high	159 Å²	159	51.5 Å²	51.5	70%	0.697	25%	0.252	S	S	*	.	H	α-helix	trans	-64.5	-39.9	-176.8	-179.7	-97.1	0	0	0	111.5	Q161 T166 S167	Q161-F163 VanDerWaalsContact C-N 3.3Å; Q161-F163 PolarHBondContact O-N 2.78Å; F163-T166 PolarHBondContact O-N 2.95Å; F163-S167 WeakPolarHBondContact O-CB 3.39Å; F163-S167 PolarHBondContact O-N 3.44Å; F163-S167 PolarHBondContact O-OG 3.11Å
164	V	97.5	Very high	96.5	Very high	34 Å²	34	49.8 Å²	49.8	21%	0.206	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-49.2	179.9	177.1	0	0	0	0	109.1	D162 T168 P408 T410	D162-V164 VanDerWaalsContact C-N 3.34Å; D162-V164 PolarHBondContact OD1-N 3.15Å; V164-T168 WeakPolarHBondContact O-CB 3.41Å; V164-T168 PolarHBondContact O-N 2.93Å; V164-T168 VanDerWaalsContact O-N 3.12Å; V164-T168 PolarHBondContact O-OG1 3.12Å; V164-P408 HydrophobicContact CG2-CB 3.98Å; V164-T410 HydrophobicContact CB-CG2 4.02Å; V164-T410 HydrophobicContact CG1-CG2 3.82Å
165	R	97.9	Very high	96.7	Very high	26 Å²	26	50.2 Å²	50.2	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-54.5	-63.2	173.9	169.5	-176.7	168.2	151.6	5.9	111.3	M159 D162 S167 T168 Y169 E254 H411 W412	M159-R165 PolarHBondContact SD-NH1 3.35Å; D162-R165 HydrophobicContact CB-CB 3.86Å; D162-R165 VanDerWaalsContact CG-CB 3.45Å; D162-R165 PolarHBondContact O-N 3.14Å; D162-R165 WeakPolarHBondContact OD1-CB 3.41Å; D162-R165 PolarHBondContact OD1-N 2.9Å; R165-S167 PolarHBondContact O-N 3.49Å; R165-T168 PolarHBondContact O-N 2.82Å; R165-Y169 WeakPolarHBondContact O-CD2 3.36Å; R165-Y169 PolarHBondContact O-N 3.32Å; R165-E254 IonicContact CZ-OE2 3.81Å; R165-E254 IonicContact NE-OE2 2.91Å; R165-E254 IonicContact NH1-OE2 3.44Å; R165-E254 PolarHBondContact NH1-OE2 2.83Å; R165-E254 VanDerWaalsContact NH2-CG 3.35Å; R165-E254 IonicContact NH2-OE2 2.74Å; R165-E254 PolarHBondContact NH2-OE2 3.48Å; R165-H411 PolarHBondContact NH1-CE1 3.03Å; R165-H411 PolarHBondContact NH1-NE2 3.48Å; R165-W412 HydrophobicContact CB-CH2 3.99Å; R165-W412 HydrophobicContact CB-CZ3 3.88Å; R165-W412 HydrophobicContact CG-CH2 3.69Å; R165-W412 HydrophobicContact CG-CZ3 4.13Å
166	T	97.8	Very high	97	Very high	24 Å²	24	49.2 Å²	49.2	15%	0.147	23%	0.233	C	C	.	.	H	α-helix	trans	-67.1	-42.8	-167.3	-58.6	0	0	0	0	112	M159 M160 D162 F163 Q170 I194 F198	M159-T166 PolarHBondContact O-OG1 3.5Å; M160-T166 PolarHBondContact O-OG1 3.25Å; D162-T166 WeakPolarHBondContact O-CB 3.24Å; D162-T166 PolarHBondContact O-N 2.87Å; D162-T166 PolarHBondContact O-OG1 2.9Å; D162-T166 VanDerWaalsContact O-OG1 3.12Å; F163-T166 PolarHBondContact O-N 2.95Å; T166-Q170 PolarHBondContact O-N 3.16Å; T166-I194 HydrophobicContact CG2-CG1 4.34Å; T166-F198 HydrophobicContact CG2-CE2 4.14Å; T166-F198 HydrophobicContact CG2-CZ 3.75Å
167	S	98	Very high	97.1	Very high	29 Å²	29	50.7 Å²	50.7	20%	0.203	25%	0.245	C	C	.	.	H	α-helix	trans	-70.1	-32.4	179.5	69.6	0	0	0	0	112.8	F163 R165 Q170 R171	F163-S167 WeakPolarHBondContact O-CB 3.39Å; F163-S167 PolarHBondContact O-N 3.44Å; F163-S167 PolarHBondContact O-OG 3.11Å; R165-S167 PolarHBondContact O-N 3.49Å; S167-Q170 PolarHBondContact O-N 3.42Å; S167-R171 VanDerWaalsContact O-CB 3.24Å; S167-R171 WeakPolarHBondContact O-CB 3.3Å; S167-R171 PolarHBondContact O-N 2.87Å
168	T	98.7	Very high	97.3	Very high	21 Å²	21	52.1 Å²	52.1	13%	0.129	25%	0.252	C	S	.	.	H	α-helix	trans	-70.1	-41.2	177.8	-57.1	0	0	0	0	111.2	V164 R165 R171 A172 F392 V399 W400 L401	V164-T168 WeakPolarHBondContact O-CB 3.41Å; V164-T168 PolarHBondContact O-N 2.93Å; V164-T168 VanDerWaalsContact O-N 3.12Å; V164-T168 PolarHBondContact O-OG1 3.12Å; R165-T168 PolarHBondContact O-N 2.82Å; T168-R171 PolarHBondContact O-N 3.25Å; T168-A172 WeakPolarHBondContact O-CB 3.36Å; T168-A172 PolarHBondContact O-N 2.9Å; T168-F392 HydrophobicContact CG2-CE2 4.41Å; T168-V399 HydrophobicContact CG2-CG1 3.77Å; T168-W400 WeakPolarHBondContact CG2-O 3.32Å; T168-L401 HydrophobicContact CG2-CB 3.74Å; T168-L401 HydrophobicContact CG2-CG 4.46Å
169	Y	98.8	Very high	97.6	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-47.6	170.7	-92.4	-87.3	0	0	0	111.9	R165 R171 A172 V173 L195 I252 S253 E254 M256 F392 L401	R165-Y169 WeakPolarHBondContact O-CD2 3.36Å; R165-Y169 PolarHBondContact O-N 3.32Å; Y169-R171 VanDerWaalsContact C-N 3.33Å; Y169-R171 PolarHBondContact O-N 3.37Å; Y169-A172 PolarHBondContact O-N 2.81Å; Y169-V173 WeakPolarHBondContact O-CG2 3.47Å; Y169-V173 PolarHBondContact O-N 3.13Å; Y169-L195 HydrophobicContact CD1-CD1 3.99Å; Y169-L195 HydrophobicContact CD1-CD2 3.67Å; Y169-L195 HydrophobicContact CD1-CG 4.49Å; Y169-L195 HydrophobicContact CE1-CD1 3.97Å; Y169-L195 HydrophobicContact CE1-CD2 4.45Å; Y169-L195 HydrophobicContact CG-CD2 3.78Å; Y169-I252 HydrophobicContact CD1-CD1 4.33Å; Y169-I252 HydrophobicContact CD1-CG1 4.48Å; Y169-I252 HydrophobicContact CE1-CG1 4.44Å; Y169-S253 VanDerWaalsContact CE1-O 3.22Å; Y169-S253 WeakPolarHBondContact CE1-O 3.16Å; Y169-S253 PolarHBondContact OH-O 3.46Å; Y169-E254 HydrophobicContact CE2-CB 4.26Å; Y169-E254 HydrophobicContact CE2-CG 3.84Å; Y169-E254 WeakPolarHBondContact OH-CA 3.35Å; Y169-M256 HydrophobicContact CE2-CE 4.1Å; Y169-M256 WeakPolarHBondContact OH-CE 3.37Å; Y169-F392 AromaticContact CD1-CE1 3.88Å; Y169-F392 HydrophobicContact CD1-CE1 3.88Å; Y169-F392 AromaticContact CD1-CZ 3.94Å; Y169-F392 HydrophobicContact CD1-CZ 3.94Å; Y169-F392 HydrophobicContact CD2-CZ 4.23Å; Y169-F392 AromaticContact CE1-CE1 3.54Å; Y169-F392 HydrophobicContact CE1-CE1 3.54Å; Y169-F392 AromaticContact CE1-CZ 3.7Å; Y169-F392 HydrophobicContact CE1-CZ 3.7Å; Y169-F392 AromaticContact CE2-CZ 3.99Å; Y169-F392 HydrophobicContact CE2-CZ 3.99Å; Y169-F392 HydrophobicContact CG-CZ 4.21Å; Y169-F392 AromaticContact CZ-CE1 3.96Å; Y169-F392 AromaticContact CZ-CZ 3.71Å; Y169-L401 HydrophobicContact CD2-CD1 4.08Å; Y169-L401 HydrophobicContact CE2-CD1 3.93Å
170	Q	98.7	Very high	97.9	Very high	68 Å²	68	49.4 Å²	49.4	32%	0.318	24%	0.238	S	C	.	.	H	α-helix	trans	-57.4	-49	176.8	-169	179.9	31	0	0	110.8	T166 S167 A172 V173 H174 F198 Q201	T166-Q170 PolarHBondContact O-N 3.16Å; S167-Q170 PolarHBondContact O-N 3.42Å; Q170-A172 PolarHBondContact O-N 3.25Å; Q170-V173 PolarHBondContact O-N 2.76Å; Q170-H174 WeakPolarHBondContact CG-CE1 3.42Å; Q170-H174 WeakPolarHBondContact O-CB 3.22Å; Q170-H174 PolarHBondContact O-N 2.78Å; Q170-H174 PolarHBondContact O-ND1 3.16Å; Q170-F198 HydrophobicContact CB-CD1 4.24Å; Q170-F198 HydrophobicContact CB-CD2 3.92Å; Q170-F198 HydrophobicContact CB-CE1 4.04Å; Q170-F198 HydrophobicContact CB-CE2 3.69Å; Q170-F198 HydrophobicContact CB-CG 4.19Å; Q170-F198 HydrophobicContact CB-CZ 3.75Å; Q170-F198 HydrophobicContact CG-CD1 3.84Å; Q170-F198 HydrophobicContact CG-CD2 4.34Å; Q170-F198 HydrophobicContact CG-CE1 3.85Å; Q170-F198 HydrophobicContact CG-CE2 4.35Å; Q170-F198 HydrophobicContact CG-CG 4.1Å; Q170-F198 HydrophobicContact CG-CZ 4.11Å; Q170-Q201 VanDerWaalsContact NE2-OE1 3.14Å
171	R	98.6	Very high	98.1	Very high	160 Å²	160	49 Å²	49	60%	0.604	24%	0.24	S	C	*	.	H	α-helix	trans	-60.6	-43.3	178.9	-175.9	177.6	179	-159.8	-3.1	112.1	S167 T168 Y169 V173 H174 L175	S167-R171 VanDerWaalsContact O-CB 3.24Å; S167-R171 WeakPolarHBondContact O-CB 3.3Å; S167-R171 PolarHBondContact O-N 2.87Å; T168-R171 PolarHBondContact O-N 3.25Å; Y169-R171 VanDerWaalsContact C-N 3.33Å; Y169-R171 PolarHBondContact O-N 3.37Å; R171-V173 VanDerWaalsContact C-N 3.32Å; R171-V173 PolarHBondContact O-N 3.48Å; R171-H174 PolarHBondContact O-N 3.38Å; R171-L175 HydrophobicContact CG-CD1 3.65Å; R171-L175 HydrophobicContact CG-CG 4.01Å; R171-L175 WeakPolarHBondContact O-CB 3.46Å; R171-L175 WeakPolarHBondContact O-CG 3.48Å; R171-L175 PolarHBondContact O-N 3.4Å
172	A	98.8	Very high	98.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.9	-43.4	177	0	0	0	0	0	111.9	T168 Y169 Q170 N176 Y283 F392 V399	T168-A172 WeakPolarHBondContact O-CB 3.36Å; T168-A172 PolarHBondContact O-N 2.9Å; Y169-A172 PolarHBondContact O-N 2.81Å; Q170-A172 PolarHBondContact O-N 3.25Å; A172-N176 WeakPolarHBondContact O-CB 3.49Å; A172-N176 PolarHBondContact O-ND2 3.12Å; A172-Y283 HydrophobicContact CB-CD1 4.43Å; A172-Y283 HydrophobicContact CB-CE1 4.27Å; A172-F392 HydrophobicContact CB-CB 3.82Å; A172-F392 HydrophobicContact CB-CD1 4.02Å; A172-F392 HydrophobicContact CB-CD2 3.62Å; A172-F392 HydrophobicContact CB-CE2 4.19Å; A172-F392 HydrophobicContact CB-CG 3.54Å; A172-V399 HydrophobicContact CB-CB 3.95Å; A172-V399 HydrophobicContact CB-CG1 4.1Å; A172-V399 HydrophobicContact CB-CG2 4.3Å
173	V	98.8	Very high	98.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67	-45	175.7	174	0	0	0	0	111.3	Y169 Q170 R171 N176 S177 F180 F198 M202 I252	Y169-V173 WeakPolarHBondContact O-CG2 3.47Å; Y169-V173 PolarHBondContact O-N 3.13Å; Q170-V173 PolarHBondContact O-N 2.76Å; R171-V173 VanDerWaalsContact C-N 3.32Å; R171-V173 PolarHBondContact O-N 3.48Å; V173-N176 CarbonylContact O-C 3.51Å; V173-N176 PolarHBondContact O-N 3.14Å; V173-S177 PolarHBondContact O-N 3.46Å; V173-F180 HydrophobicContact CB-CE2 4.12Å; V173-F180 HydrophobicContact CB-CZ 4.22Å; V173-F180 HydrophobicContact CG1-CD1 4.14Å; V173-F180 HydrophobicContact CG1-CD2 3.86Å; V173-F180 HydrophobicContact CG1-CE1 4.17Å; V173-F180 HydrophobicContact CG1-CE2 3.91Å; V173-F180 HydrophobicContact CG1-CG 4Å; V173-F180 HydrophobicContact CG1-CZ 4.07Å; V173-F180 HydrophobicContact CG2-CE1 4.14Å; V173-F180 HydrophobicContact CG2-CE2 4.1Å; V173-F180 HydrophobicContact CG2-CZ 3.72Å; V173-F198 HydrophobicContact CB-CB 4.35Å; V173-F198 HydrophobicContact CG1-CB 4.2Å; V173-F198 WeakPolarHBondContact CG1-O 3.18Å; V173-F198 HydrophobicContact CG2-CB 4.33Å; V173-M202 HydrophobicContact CG1-CB 4.37Å; V173-M202 HydrophobicContact CG1-CG 3.7Å; V173-I252 HydrophobicContact CG2-CD1 3.6Å
174	H	98.4	Very high	98.5	Very high	64 Å²	64	41.1 Å²	41.1	30%	0.296	21%	0.214	S	C	.	.	H	α-helix	trans	-70.9	-42.1	-174.4	-74.7	53.3	0	0	0	113.4	Q170 R171 N176 Q201 M202	Q170-H174 WeakPolarHBondContact CG-CE1 3.42Å; Q170-H174 WeakPolarHBondContact O-CB 3.22Å; Q170-H174 PolarHBondContact O-N 2.78Å; Q170-H174 PolarHBondContact O-ND1 3.16Å; R171-H174 PolarHBondContact O-N 3.38Å; H174-N176 PolarHBondContact O-N 3.24Å; H174-Q201 PolarHBondContact CE1-OE1 3.19Å; H174-Q201 PolarHBondContact NE2-OE1 2.88Å; H174-M202 HydrophobicContact CB-CE 4.37Å; H174-M202 HydrophobicContact CB-SD 4.28Å; H174-M202 WeakPolarHBondContact CD2-CE 3.14Å
175	L	98.5	Very high	98.5	Very high	71 Å²	71	39.5 Å²	39.5	37%	0.372	20%	0.204	S	C	.	.	H	α-helix	trans	-68.7	-17.9	177.9	-69.3	-178.7	0	0	0	112.6	R171 C396 E397 V399	R171-L175 HydrophobicContact CG-CD1 3.65Å; R171-L175 HydrophobicContact CG-CG 4.01Å; R171-L175 WeakPolarHBondContact O-CB 3.46Å; R171-L175 WeakPolarHBondContact O-CG 3.48Å; R171-L175 PolarHBondContact O-N 3.4Å; L175-C396 WeakPolarHBondContact O-CB 3.19Å; L175-E397 HydrophobicContact CB-CB 4.29Å; L175-V399 HydrophobicContact CD1-CG2 3.93Å
176	N	98.7	Very high	98.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	43.2	-179	-66.1	-70.5	0	0	0	111.7	A172 V173 H174 E178 D179 F180 Y283 G394 S395 C396 E397	A172-N176 WeakPolarHBondContact O-CB 3.49Å; A172-N176 PolarHBondContact O-ND2 3.12Å; V173-N176 CarbonylContact O-C 3.51Å; V173-N176 PolarHBondContact O-N 3.14Å; H174-N176 PolarHBondContact O-N 3.24Å; N176-E178 PolarHBondContact O-N 3.36Å; N176-D179 WeakPolarHBondContact O-CB 3.2Å; N176-D179 PolarHBondContact O-N 3.01Å; N176-F180 WeakPolarHBondContact O-CD2 3.44Å; N176-Y283 WeakPolarHBondContact CB-OH 3.15Å; N176-G394 VanDerWaalsContact CG-CA 3.44Å; N176-G394 VanDerWaalsContact OD1-C 3.28Å; N176-G394 VanDerWaalsContact OD1-CA 3.23Å; N176-G394 WeakPolarHBondContact OD1-CA 3.46Å; N176-S395 PolarHBondContact OD1-N 3.34Å; N176-C396 WeakPolarHBondContact OD1-CA 3.48Å; N176-C396 PolarHBondContact OD1-N 3.03Å; N176-E397 PolarHBondContact ND2-O 3.47Å; N176-E397 PolarHBondContact OD1-N 2.9Å; N176-E397 PolarHBondContact OD1-O 2.91Å; N176-E397 VanDerWaalsContact OD1-O 3.14Å
177	S	98.1	Very high	98.6	Very high	44 Å²	44	37.2 Å²	37.2	31%	0.308	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-52.9	-27.3	-177	62.1	0	0	0	0	113.7	V173 D179 F180 T181 M202	V173-S177 PolarHBondContact O-N 3.46Å; S177-D179 PolarHBondContact O-N 3.35Å; S177-F180 PolarHBondContact O-N 2.91Å; S177-F180 VanDerWaalsContact O-N 3.09Å; S177-T181 WeakPolarHBondContact O-CB 3.41Å; S177-T181 PolarHBondContact O-N 3.45Å; S177-T181 PolarHBondContact O-OG1 3.45Å; S177-M202 VanDerWaalsContact CB-SD 3.59Å
178	E	98.2	Very high	98.7	Very high	126 Å²	126	36 Å²	36	59%	0.589	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-61.5	-27.7	175.7	-63.8	-169.6	168.6	0	0	113.8	N176 F180 K183	N176-E178 PolarHBondContact O-N 3.36Å; E178-F180 PolarHBondContact O-N 3.17Å; E178-K183 WeakPolarHBondContact O-CE 3.45Å
179	D	98.7	Very high	98.6	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.053	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-78.4	-8.5	177.5	-65.1	-25.8	0	0	0	112.6	N176 S177 T250 K281 Y283 G394 S395	N176-D179 WeakPolarHBondContact O-CB 3.2Å; N176-D179 PolarHBondContact O-N 3.01Å; S177-D179 PolarHBondContact O-N 3.35Å; D179-T250 PolarHBondContact O-OG1 2.55Å; D179-K281 HydrophobicContact CB-CG 4.37Å; D179-K281 WeakPolarHBondContact OD1-CE 3.39Å; D179-Y283 HydrophobicContact CB-CE2 4.47Å; D179-Y283 PolarHBondContact OD2-OH 3.08Å; D179-G394 WeakPolarHBondContact OD2-CA 3.46Å; D179-S395 VanDerWaalsContact OD1-CB 3.26Å; D179-S395 WeakPolarHBondContact OD1-CB 3.14Å; D179-S395 PolarHBondContact OD1-OG 2.78Å; D179-S395 PolarHBondContact OD2-N 3.45Å
180	F	98.8	Very high	98.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-39	-174.9	-61.9	-88.1	0	0	0	113	V173 N176 S177 E178 G182 K183 V185 A199 M202 A204 T250 I252 Y283	V173-F180 HydrophobicContact CB-CE2 4.12Å; V173-F180 HydrophobicContact CB-CZ 4.22Å; V173-F180 HydrophobicContact CG1-CD1 4.14Å; V173-F180 HydrophobicContact CG1-CD2 3.86Å; V173-F180 HydrophobicContact CG1-CE1 4.17Å; V173-F180 HydrophobicContact CG1-CE2 3.91Å; V173-F180 HydrophobicContact CG1-CG 4Å; V173-F180 HydrophobicContact CG1-CZ 4.07Å; V173-F180 HydrophobicContact CG2-CE1 4.14Å; V173-F180 HydrophobicContact CG2-CE2 4.1Å; V173-F180 HydrophobicContact CG2-CZ 3.72Å; N176-F180 WeakPolarHBondContact O-CD2 3.44Å; S177-F180 PolarHBondContact O-N 2.91Å; S177-F180 VanDerWaalsContact O-N 3.09Å; E178-F180 PolarHBondContact O-N 3.17Å; F180-G182 PolarHBondContact O-N 3.17Å; F180-K183 WeakPolarHBondContact O-CB 3.38Å; F180-K183 WeakPolarHBondContact O-CG 3.43Å; F180-K183 PolarHBondContact O-N 3.13Å; F180-V185 HydrophobicContact CD1-CG2 3.9Å; F180-V185 HydrophobicContact CE1-CG1 4.5Å; F180-V185 HydrophobicContact CE1-CG2 4.46Å; F180-A199 HydrophobicContact CD1-CB 3.91Å; F180-A199 HydrophobicContact CE1-CB 4.39Å; F180-M202 HydrophobicContact CB-CB 3.69Å; F180-M202 HydrophobicContact CG-CB 4.45Å; F180-A204 WeakPolarHBondContact O-CA 3.49Å; F180-A204 WeakPolarHBondContact O-CB 3.27Å; F180-T250 HydrophobicContact CE1-CG2 3.83Å; F180-T250 HydrophobicContact CZ-CG2 3.93Å; F180-I252 HydrophobicContact CE1-CD1 4.5Å; F180-Y283 HydrophobicContact CE2-CD1 4.37Å; F180-Y283 AromaticContact CE2-CE1 3.88Å; F180-Y283 HydrophobicContact CE2-CE1 3.88Å; F180-Y283 HydrophobicContact CE2-CE2 4.48Å; F180-Y283 AromaticContact CE2-CZ 3.94Å; F180-Y283 AromaticContact CZ-CD1 3.95Å; F180-Y283 HydrophobicContact CZ-CD1 3.95Å; F180-Y283 HydrophobicContact CZ-CD2 4.44Å; F180-Y283 AromaticContact CZ-CE1 3.94Å; F180-Y283 HydrophobicContact CZ-CE1 3.94Å; F180-Y283 HydrophobicContact CZ-CE2 4.44Å; F180-Y283 HydrophobicContact CZ-CG 4.22Å
181	T	98.7	Very high	98.5	Very high	69 Å²	69	33.7 Å²	33.7	42%	0.423	18%	0.183	S	C	.	.	B	Isolated β-bridge	trans	-58	118.3	-174.5	-56.5	0	0	0	0	111.8	S177 K183 M202	S177-T181 WeakPolarHBondContact O-CB 3.41Å; S177-T181 PolarHBondContact O-N 3.45Å; S177-T181 PolarHBondContact O-OG1 3.45Å; T181-K183 PolarHBondContact O-N 3.44Å; T181-M202 WeakPolarHBondContact CA-O 3.34Å; T181-M202 PolarHBondContact N-O 2.95Å; T181-M202 PolarHBondContact OG1-O 3.47Å
182	G	98.6	Very high	98.5	Very high	40 Å²	40	26.5 Å²	26.5	41%	0.412	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	9.7	-178.2	0	0	0	0	0	115	F180 D203 R205	F180-G182 PolarHBondContact O-N 3.17Å; G182-D203 PolarHBondContact N-O 3.23Å; G182-R205 WeakPolarHBondContact O-CB 3.34Å
183	K	98.8	Very high	98.4	Very high	77 Å²	77	26.5 Å²	26.5	34%	0.335	16%	0.157	S	C	.	.			trans	-93.5	162.6	-177.6	-56.7	-58.1	-176.3	169.5	0	113	E178 F180 T181 A204 R205 R206 D249	E178-K183 WeakPolarHBondContact O-CE 3.45Å; F180-K183 WeakPolarHBondContact O-CB 3.38Å; F180-K183 WeakPolarHBondContact O-CG 3.43Å; F180-K183 PolarHBondContact O-N 3.13Å; T181-K183 PolarHBondContact O-N 3.44Å; K183-A204 CarbonylContact O-C 3.53Å; K183-R205 WeakPolarHBondContact O-CB 3.2Å; K183-R205 PolarHBondContact O-N 3.01Å; K183-R206 PolarHBondContact O-N 3.49Å; K183-D249 HydrophobicContact CB-CB 3.9Å; K183-D249 HydrophobicContact CD-CB 4.02Å; K183-D249 HydrophobicContact CG-CB 4.25Å
184	V	98.8	Very high	98.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.1	167.9	-172.9	0	0	0	0	108.8	R205 R206 Y208 E246 V248 D249 T250	V184-R205 VanDerWaalsContact CG2-CZ 3.47Å; V184-R206 CarbonylContact C-O 3.5Å; V184-R206 WeakPolarHBondContact CA-O 3.43Å; V184-R206 HydrophobicContact CG1-CB 4.45Å; V184-Y208 HydrophobicContact CG1-CD2 3.97Å; V184-Y208 HydrophobicContact CG1-CE2 3.65Å; V184-E246 HydrophobicContact CG1-CG 4.21Å; V184-E246 WeakPolarHBondContact CG2-OE2 3.08Å; V184-V248 HydrophobicContact CG1-CB 4.23Å; V184-V248 HydrophobicContact CG1-CG1 3.75Å; V184-D249 PolarHBondContact N-OD2 3.39Å; V184-D249 PolarHBondContact O-N 3.32Å; V184-T250 PolarHBondContact O-N 3.13Å
185	V	98.9	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.8	-176.1	-177.8	0	0	0	0	109.8	F180 A199 A204 R206 V207 Y208 T250 I252	F180-V185 HydrophobicContact CD1-CG2 3.9Å; F180-V185 HydrophobicContact CE1-CG1 4.5Å; F180-V185 HydrophobicContact CE1-CG2 4.46Å; V185-A199 HydrophobicContact CB-CB 4.47Å; V185-A199 HydrophobicContact CG1-CB 4.23Å; V185-A199 HydrophobicContact CG2-CB 4.23Å; V185-A204 HydrophobicContact CG2-CB 3.85Å; V185-R206 PolarHBondContact N-O 2.89Å; V185-V207 HydrophobicContact CB-CB 4.48Å; V185-V207 HydrophobicContact CB-CG1 4.47Å; V185-V207 HydrophobicContact CB-CG2 3.87Å; V185-V207 HydrophobicContact CG1-CG2 4.42Å; V185-V207 HydrophobicContact CG2-CG2 4.44Å; V185-V207 CarbonylContact O-C 3.54Å; V185-V207 VanDerWaalsContact O-CA 3.28Å; V185-V207 WeakPolarHBondContact O-CA 3.14Å; V185-Y208 PolarHBondContact O-N 2.98Å; V185-T250 CarbonylContact C-O 3.52Å; V185-T250 VanDerWaalsContact CA-O 3.27Å; V185-T250 WeakPolarHBondContact CA-O 3.36Å; V185-I252 HydrophobicContact CG1-CG2 3.83Å
186	L	98.9	Very high	98.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.2	168.3	171.7	58.2	0	0	0	108.6	V188 Y208 V210 I239 L244 V248 T250 I251 I252 A272 F275	L186-V188 HydrophobicContact CD1-CG2 4.42Å; L186-V188 HydrophobicContact CD2-CG2 4.09Å; L186-V188 HydrophobicContact CG-CG2 3.82Å; L186-Y208 WeakPolarHBondContact CD1-O 3.37Å; L186-V210 HydrophobicContact CD1-CB 4.47Å; L186-V210 HydrophobicContact CD1-CG2 3.44Å; L186-V210 VanDerWaalsContact CD1-CG2 3.44Å; L186-I239 HydrophobicContact CD1-CD1 4.38Å; L186-I239 HydrophobicContact CD2-CD1 4.09Å; L186-L244 HydrophobicContact CD1-CD1 3.86Å; L186-L244 HydrophobicContact CD2-CD1 4Å; L186-L244 HydrophobicContact CG-CD1 4.42Å; L186-V248 HydrophobicContact CB-CB 4.22Å; L186-V248 HydrophobicContact CB-CG1 3.89Å; L186-V248 HydrophobicContact CB-CG2 3.78Å; L186-T250 PolarHBondContact N-O 3.34Å; L186-I251 HydrophobicContact CB-CG1 4.08Å; L186-I251 HydrophobicContact CD2-CD1 4.28Å; L186-I251 HydrophobicContact CD2-CG1 4.08Å; L186-I251 HydrophobicContact CG-CG1 4.43Å; L186-I251 HydrophobicContact CG-CG2 4.46Å; L186-I251 CarbonylContact O-C 3.59Å; L186-I251 WeakPolarHBondContact O-CA 3.49Å; L186-I252 PolarHBondContact O-N 2.81Å; L186-A272 HydrophobicContact CD2-CB 4.1Å; L186-F275 HydrophobicContact CD2-CB 4.06Å; L186-F275 HydrophobicContact CD2-CD2 3.92Å; L186-F275 HydrophobicContact CD2-CG 4.38Å
187	D	98.9	Very high	98.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.6	173.5	-173.3	2.6	0	0	0	108.6	A190 S196 V207 Y208 V210 I252	D187-A190 HydrophobicContact CB-CB 4.23Å; D187-S196 VanDerWaalsContact CB-OG 3.25Å; D187-S196 WeakPolarHBondContact CB-OG 3.39Å; D187-S196 PolarHBondContact OD2-N 3.14Å; D187-S196 PolarHBondContact OD2-OG 2.94Å; D187-V207 HydrophobicContact CB-CG1 4.17Å; D187-Y208 PolarHBondContact N-O 2.85Å; D187-V210 PolarHBondContact O-N 3.5Å; D187-I252 WeakPolarHBondContact CA-O 3.25Å; D187-I252 HydrophobicContact CB-CG2 3.98Å
188	V	98.6	Very high	98.5	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.1	-172.6	-176	0	0	0	0	109.9	L186 I239 I251 I252 S253 M265 A272	L186-V188 HydrophobicContact CD1-CG2 4.42Å; L186-V188 HydrophobicContact CD2-CG2 4.09Å; L186-V188 HydrophobicContact CG-CG2 3.82Å; V188-I239 HydrophobicContact CG1-CB 4.07Å; V188-I239 HydrophobicContact CG1-CG1 4.09Å; V188-I239 HydrophobicContact CG1-CG2 4.1Å; V188-I239 HydrophobicContact CG2-CD1 4.46Å; V188-I239 HydrophobicContact CG2-CG1 4.44Å; V188-I251 HydrophobicContact CG2-CG2 3.68Å; V188-I252 PolarHBondContact N-O 2.96Å; V188-S253 WeakPolarHBondContact O-CB 3.43Å; V188-S253 PolarHBondContact O-OG 3.32Å; V188-M265 WeakPolarHBondContact O-CE 3.29Å; V188-A272 HydrophobicContact CG2-CB 3.56Å
189	G	97.3	Very high	98.5	Very high	33 Å²	33	16.2 Å²	16.2	34%	0.34	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	53.3	-171.1	0	0	0	0	0	110.3	G191 V210	G189-G191 PolarHBondContact O-N 3.16Å; G189-G191 VanDerWaalsContact O-N 3.1Å; G189-V210 CarbonylContact C-O 3.49Å; G189-V210 VanDerWaalsContact CA-O 3.27Å; G189-V210 WeakPolarHBondContact CA-O 3.45Å; G189-V210 PolarHBondContact N-O 3.49Å
190	A	98	Very high	98.5	Very high	6 Å²	6	16.1 Å²	16.1	5%	0.05	10%	0.103	C	C	.	.			trans	-62.5	-20.8	-168.8	0	0	0	0	0	113.4	D187 S192 G193 A209 V210 E211	D187-A190 HydrophobicContact CB-CB 4.23Å; A190-S192 PolarHBondContact O-N 2.96Å; A190-S192 VanDerWaalsContact O-N 3.17Å; A190-G193 WeakPolarHBondContact O-CA 3.33Å; A190-G193 PolarHBondContact O-N 2.85Å; A190-A209 HydrophobicContact CB-CB 3.78Å; A190-V210 PolarHBondContact N-O 3.26Å; A190-E211 PolarHBondContact N-OE2 2.97Å
191	G	97.6	Very high	98.5	Very high	4 Å²	4	20.8 Å²	20.8	4%	0.041	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	-120.1	-177.7	0	0	0	0	0	110.9	G189 G193 E211 M215 C219	G189-G191 PolarHBondContact O-N 3.16Å; G189-G191 VanDerWaalsContact O-N 3.1Å; G191-G193 PolarHBondContact O-N 3.37Å; G191-E211 WeakPolarHBondContact CA-OE2 3.43Å; G191-E211 PolarHBondContact N-OE2 2.92Å; G191-M215 VanDerWaalsContact C-CG 3.4Å; G191-M215 WeakPolarHBondContact O-CG 3.33Å; G191-C219 WeakPolarHBondContact O-CB 3.36Å
192	S	97.6	Very high	98.5	Very high	8 Å²	8	19.1 Å²	19.1	6%	0.056	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.5	174.2	64.2	0	0	0	0	114.8	M160 A190 L222	M160-S192 PolarHBondContact SD-OG 2.93Å; A190-S192 PolarHBondContact O-N 2.96Å; A190-S192 VanDerWaalsContact O-N 3.17Å; S192-L222 WeakPolarHBondContact O-CD1 3.35Å
193	G	98.4	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	88.5	10.6	-176.2	0	0	0	0	0	114.5	A190 G191 L195 S196 F197	A190-G193 WeakPolarHBondContact O-CA 3.33Å; A190-G193 PolarHBondContact O-N 2.85Å; G191-G193 PolarHBondContact O-N 3.37Å; G193-L195 VanDerWaalsContact C-N 3.31Å; G193-L195 PolarHBondContact O-N 3.34Å; G193-S196 WeakPolarHBondContact O-CA 3.27Å; G193-S196 VanDerWaalsContact O-CB 3.23Å; G193-S196 WeakPolarHBondContact O-CB 3.42Å; G193-S196 PolarHBondContact O-N 3.46Å; G193-F197 WeakPolarHBondContact O-CD2 3.44Å; G193-F197 PolarHBondContact O-N 3.1Å
194	I	98.7	Very high	98.5	Very high	44 Å²	44	17.6 Å²	17.6	23%	0.226	10%	0.099	C	C	.	.	H	α-helix	trans	-55.2	-41.2	-174.1	-171.7	58.6	0	0	0	113.6	M160 T166 F197 F198	M160-I194 HydrophobicContact CE-CD1 4.3Å; M160-I194 HydrophobicContact CE-CG1 4.49Å; T166-I194 HydrophobicContact CG2-CG1 4.34Å; I194-F197 PolarHBondContact O-N 2.81Å; I194-F198 HydrophobicContact CD1-CE1 3.78Å; I194-F198 HydrophobicContact CD1-CZ 3.8Å; I194-F198 HydrophobicContact CG1-CE1 4.11Å; I194-F198 HydrophobicContact CG1-CE2 4.04Å; I194-F198 HydrophobicContact CG1-CZ 3.65Å; I194-F198 WeakPolarHBondContact O-CG 3.27Å; I194-F198 PolarHBondContact O-N 3.43Å; I194-F198 VanDerWaalsContact O-N 3.14Å
195	L	98.8	Very high	98.5	Very high	15 Å²	15	23.2 Å²	23.2	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-71.2	-36.6	178.5	-56.5	-174.9	0	0	0	111.7	Y169 G193 F197 F198 A199 I252 E254	Y169-L195 HydrophobicContact CD1-CD1 3.99Å; Y169-L195 HydrophobicContact CD1-CD2 3.67Å; Y169-L195 HydrophobicContact CD1-CG 4.49Å; Y169-L195 HydrophobicContact CE1-CD1 3.97Å; Y169-L195 HydrophobicContact CE1-CD2 4.45Å; Y169-L195 HydrophobicContact CG-CD2 3.78Å; G193-L195 VanDerWaalsContact C-N 3.31Å; G193-L195 PolarHBondContact O-N 3.34Å; L195-F197 VanDerWaalsContact C-N 3.29Å; L195-F197 PolarHBondContact O-N 2.63Å; L195-F198 HydrophobicContact CD2-CD2 3.87Å; L195-F198 HydrophobicContact CD2-CE2 4.03Å; L195-F198 PolarHBondContact O-N 2.86Å; L195-F198 VanDerWaalsContact O-N 3.16Å; L195-A199 PolarHBondContact O-N 2.83Å; L195-I252 HydrophobicContact CB-CD1 4.16Å; L195-I252 HydrophobicContact CB-CG1 4.37Å; L195-I252 HydrophobicContact CB-CG2 4.4Å; L195-I252 HydrophobicContact CD1-CD1 4.49Å; L195-I252 HydrophobicContact CD1-CG1 4.11Å; L195-E254 HydrophobicContact CD1-CB 4.28Å
196	S	98.9	Very high	98.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.4	-40	169.5	-62.9	0	0	0	0	112.5	D187 G193 A199 M200 V207 A209	D187-S196 VanDerWaalsContact CB-OG 3.25Å; D187-S196 WeakPolarHBondContact CB-OG 3.39Å; D187-S196 PolarHBondContact OD2-N 3.14Å; D187-S196 PolarHBondContact OD2-OG 2.94Å; G193-S196 WeakPolarHBondContact O-CA 3.27Å; G193-S196 VanDerWaalsContact O-CB 3.23Å; G193-S196 WeakPolarHBondContact O-CB 3.42Å; G193-S196 PolarHBondContact O-N 3.46Å; S196-A199 PolarHBondContact O-N 2.92Å; S196-M200 PolarHBondContact O-N 2.84Å; S196-V207 VanDerWaalsContact OG-CG1 3.29Å; S196-V207 WeakPolarHBondContact OG-CG1 3.41Å; S196-A209 WeakPolarHBondContact OG-CB 3.42Å
197	F	98.8	Very high	98.4	Very high	23 Å²	23	27.2 Å²	27.2	10%	0.101	14%	0.135	C	C	.	.	H	α-helix	trans	-67	-37.9	174.4	-69.1	-67.4	0	0	0	112.4	G193 I194 L195 A199 M200 Q201 L222 V223 N226 F228 I232	G193-F197 WeakPolarHBondContact O-CD2 3.44Å; G193-F197 PolarHBondContact O-N 3.1Å; I194-F197 PolarHBondContact O-N 2.81Å; L195-F197 VanDerWaalsContact C-N 3.29Å; L195-F197 PolarHBondContact O-N 2.63Å; F197-A199 VanDerWaalsContact C-N 3.32Å; F197-A199 PolarHBondContact O-N 2.9Å; F197-M200 WeakPolarHBondContact O-CB 3.34Å; F197-M200 PolarHBondContact O-N 3.33Å; F197-M200 VanDerWaalsContact O-N 3.17Å; F197-Q201 WeakPolarHBondContact O-CG 3.36Å; F197-Q201 PolarHBondContact O-N 3.5Å; F197-L222 HydrophobicContact CE2-CB 3.95Å; F197-L222 HydrophobicContact CZ-CB 3.77Å; F197-V223 HydrophobicContact CE1-CG2 4.45Å; F197-V223 HydrophobicContact CZ-CG2 3.97Å; F197-N226 HydrophobicContact CE1-CB 3.9Å; F197-F228 AromaticContact CD1-CD2 3.95Å; F197-F228 HydrophobicContact CD1-CD2 3.95Å; F197-F228 HydrophobicContact CD1-CE2 4.29Å; F197-F228 AromaticContact CE1-CD2 3.94Å; F197-F228 HydrophobicContact CE1-CD2 3.94Å; F197-I232 HydrophobicContact CD1-CD1 3.89Å; F197-I232 HydrophobicContact CE1-CD1 3.85Å; F197-I232 HydrophobicContact CZ-CD1 4.45Å
198	F	98.8	Very high	98.4	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.035	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-39.7	173.9	-60.6	-22.6	0	0	0	112	T166 Q170 V173 I194 L195 M200 Q201 M202	T166-F198 HydrophobicContact CG2-CE2 4.14Å; T166-F198 HydrophobicContact CG2-CZ 3.75Å; Q170-F198 HydrophobicContact CB-CD1 4.24Å; Q170-F198 HydrophobicContact CB-CD2 3.92Å; Q170-F198 HydrophobicContact CB-CE1 4.04Å; Q170-F198 HydrophobicContact CB-CE2 3.69Å; Q170-F198 HydrophobicContact CB-CG 4.19Å; Q170-F198 HydrophobicContact CB-CZ 3.75Å; Q170-F198 HydrophobicContact CG-CD1 3.84Å; Q170-F198 HydrophobicContact CG-CD2 4.34Å; Q170-F198 HydrophobicContact CG-CE1 3.85Å; Q170-F198 HydrophobicContact CG-CE2 4.35Å; Q170-F198 HydrophobicContact CG-CG 4.1Å; Q170-F198 HydrophobicContact CG-CZ 4.11Å; V173-F198 HydrophobicContact CB-CB 4.35Å; V173-F198 HydrophobicContact CG1-CB 4.2Å; V173-F198 WeakPolarHBondContact CG1-O 3.18Å; V173-F198 HydrophobicContact CG2-CB 4.33Å; I194-F198 HydrophobicContact CD1-CE1 3.78Å; I194-F198 HydrophobicContact CD1-CZ 3.8Å; I194-F198 HydrophobicContact CG1-CE1 4.11Å; I194-F198 HydrophobicContact CG1-CE2 4.04Å; I194-F198 HydrophobicContact CG1-CZ 3.65Å; I194-F198 WeakPolarHBondContact O-CG 3.27Å; I194-F198 PolarHBondContact O-N 3.43Å; I194-F198 VanDerWaalsContact O-N 3.14Å; L195-F198 HydrophobicContact CD2-CD2 3.87Å; L195-F198 HydrophobicContact CD2-CE2 4.03Å; L195-F198 PolarHBondContact O-N 2.86Å; L195-F198 VanDerWaalsContact O-N 3.16Å; F198-M200 VanDerWaalsContact C-N 3.34Å; F198-M200 PolarHBondContact O-N 2.81Å; F198-Q201 WeakPolarHBondContact O-CB 3.43Å; F198-Q201 PolarHBondContact O-N 3.15Å; F198-M202 PolarHBondContact O-N 2.86Å
199	A	98.8	Very high	98.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-39.9	172.8	0	0	0	0	0	112.1	F180 V185 L195 S196 F197 Q201 M202 A204 V207	F180-A199 HydrophobicContact CD1-CB 3.91Å; F180-A199 HydrophobicContact CE1-CB 4.39Å; V185-A199 HydrophobicContact CB-CB 4.47Å; V185-A199 HydrophobicContact CG1-CB 4.23Å; V185-A199 HydrophobicContact CG2-CB 4.23Å; L195-A199 PolarHBondContact O-N 2.83Å; S196-A199 PolarHBondContact O-N 2.92Å; F197-A199 VanDerWaalsContact C-N 3.32Å; F197-A199 PolarHBondContact O-N 2.9Å; A199-Q201 VanDerWaalsContact C-N 3.35Å; A199-M202 CarbonylContact O-C 3.58Å; A199-M202 PolarHBondContact O-N 3.34Å; A199-A204 HydrophobicContact CB-CB 4.13Å; A199-A204 VanDerWaalsContact O-CB 3.22Å; A199-A204 WeakPolarHBondContact O-CB 3.42Å; A199-A204 PolarHBondContact O-N 2.95Å; A199-A204 VanDerWaalsContact O-N 3.11Å; A199-V207 HydrophobicContact CB-CG2 3.75Å
200	M	98.5	Very high	98.4	Very high	7 Å²	7	26 Å²	26	3%	0.034	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-34.2	173.6	-75.6	-60.8	118.5	0	0	113.2	S196 F197 F198 M202 D203 A204 V207 F228 R231 I232	S196-M200 PolarHBondContact O-N 2.84Å; F197-M200 WeakPolarHBondContact O-CB 3.34Å; F197-M200 PolarHBondContact O-N 3.33Å; F197-M200 VanDerWaalsContact O-N 3.17Å; F198-M200 VanDerWaalsContact C-N 3.34Å; F198-M200 PolarHBondContact O-N 2.81Å; M200-M202 PolarHBondContact O-N 2.91Å; M200-D203 WeakPolarHBondContact O-CA 3.14Å; M200-D203 PolarHBondContact O-N 3.07Å; M200-A204 HydrophobicContact CE-CB 4Å; M200-A204 WeakPolarHBondContact CE-O 3.49Å; M200-V207 HydrophobicContact CE-CB 3.91Å; M200-V207 HydrophobicContact CE-CG2 3.19Å; M200-F228 HydrophobicContact CB-CD1 4.07Å; M200-F228 HydrophobicContact CB-CE1 3.81Å; M200-F228 HydrophobicContact CB-CE2 4.31Å; M200-F228 HydrophobicContact CB-CG 4.44Å; M200-F228 HydrophobicContact CB-CZ 3.94Å; M200-F228 HydrophobicContact CG-CD1 3.77Å; M200-F228 HydrophobicContact CG-CD2 4.49Å; M200-F228 HydrophobicContact CG-CE1 4.04Å; M200-F228 HydrophobicContact CG-CG 4.02Å; M200-F228 HydrophobicContact SD-CD1 3.81Å; M200-F228 HydrophobicContact SD-CE1 4.2Å; M200-F228 HydrophobicContact SD-CG 4.49Å; M200-R231 HydrophobicContact CE-CB 4.04Å; M200-R231 HydrophobicContact SD-CB 3.65Å; M200-I232 HydrophobicContact CE-CG1 4.05Å; M200-I232 HydrophobicContact CG-CD1 3.58Å; M200-I232 HydrophobicContact CG-CG1 3.57Å; M200-I232 HydrophobicContact SD-CG1 4.12Å
201	Q	98.4	Very high	98.2	Very high	99 Å²	99	26.4 Å²	26.4	46%	0.463	12%	0.121	S	C	.	.	H	α-helix	trans	-60.2	-33.1	174.8	-73.1	170.6	-10.6	0	0	111.4	Q170 H174 F197 F198 A199 D203	Q170-Q201 VanDerWaalsContact NE2-OE1 3.14Å; H174-Q201 PolarHBondContact CE1-OE1 3.19Å; H174-Q201 PolarHBondContact NE2-OE1 2.88Å; F197-Q201 WeakPolarHBondContact O-CG 3.36Å; F197-Q201 PolarHBondContact O-N 3.5Å; F198-Q201 WeakPolarHBondContact O-CB 3.43Å; F198-Q201 PolarHBondContact O-N 3.15Å; A199-Q201 VanDerWaalsContact C-N 3.35Å; Q201-D203 VanDerWaalsContact C-N 3.25Å; Q201-D203 PolarHBondContact O-N 2.77Å
202	M	98.2	Very high	97.9	Very high	33 Å²	33	27.8 Å²	27.8	16%	0.163	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	24.7	172.3	-62.2	-59.1	99	0	0	113.4	V173 H174 S177 F180 T181 F198 A199 M200 A204	V173-M202 HydrophobicContact CG1-CB 4.37Å; V173-M202 HydrophobicContact CG1-CG 3.7Å; H174-M202 HydrophobicContact CB-CE 4.37Å; H174-M202 HydrophobicContact CB-SD 4.28Å; H174-M202 WeakPolarHBondContact CD2-CE 3.14Å; S177-M202 VanDerWaalsContact CB-SD 3.59Å; F180-M202 HydrophobicContact CB-CB 3.69Å; F180-M202 HydrophobicContact CG-CB 4.45Å; T181-M202 WeakPolarHBondContact CA-O 3.34Å; T181-M202 PolarHBondContact N-O 2.95Å; T181-M202 PolarHBondContact OG1-O 3.47Å; F198-M202 PolarHBondContact O-N 2.86Å; A199-M202 CarbonylContact O-C 3.58Å; A199-M202 PolarHBondContact O-N 3.34Å; M200-M202 PolarHBondContact O-N 2.91Å; M202-A204 VanDerWaalsContact C-N 3.3Å; M202-A204 PolarHBondContact O-N 3.45Å
203	D	98.3	Very high	97.6	Very high	86 Å²	86	27.6 Å²	27.6	46%	0.46	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	39.7	175.7	-159.4	35.1	0	0	0	114.6	G182 M200 Q201 R205 R231	G182-D203 PolarHBondContact N-O 3.23Å; M200-D203 WeakPolarHBondContact O-CA 3.14Å; M200-D203 PolarHBondContact O-N 3.07Å; Q201-D203 VanDerWaalsContact C-N 3.25Å; Q201-D203 PolarHBondContact O-N 2.77Å; D203-R205 PolarHBondContact O-N 3.47Å; D203-R231 PolarHBondContact O-NH2 2.91Å; D203-R231 IonicContact OD1-CZ 2.69Å; D203-R231 VanDerWaalsContact OD1-CZ 3.27Å; D203-R231 IonicContact OD1-NH1 2.67Å; D203-R231 PolarHBondContact OD1-NH1 3.31Å; D203-R231 IonicContact OD1-NH2 2.85Å; D203-R231 PolarHBondContact OD1-NH2 3.49Å
204	A	98.8	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-60.1	125.4	173.1	0	0	0	0	0	112.1	F180 K183 V185 A199 M200 M202 R206 V207 R231	F180-A204 WeakPolarHBondContact O-CA 3.49Å; F180-A204 WeakPolarHBondContact O-CB 3.27Å; K183-A204 CarbonylContact O-C 3.53Å; V185-A204 HydrophobicContact CG2-CB 3.85Å; A199-A204 HydrophobicContact CB-CB 4.13Å; A199-A204 VanDerWaalsContact O-CB 3.22Å; A199-A204 WeakPolarHBondContact O-CB 3.42Å; A199-A204 PolarHBondContact O-N 2.95Å; A199-A204 VanDerWaalsContact O-N 3.11Å; M200-A204 HydrophobicContact CE-CB 4Å; M200-A204 WeakPolarHBondContact CE-O 3.49Å; M202-A204 VanDerWaalsContact C-N 3.3Å; M202-A204 PolarHBondContact O-N 3.45Å; A204-R206 PolarHBondContact O-N 3.1Å; A204-R206 VanDerWaalsContact O-N 3.14Å; A204-V207 HydrophobicContact CB-CG2 4.3Å; A204-R231 VanDerWaalsContact C-NH2 3.26Å; A204-R231 PolarHBondContact O-NE 3.42Å; A204-R231 PolarHBondContact O-NH2 3.37Å
205	R	98.6	Very high	97.1	Very high	117 Å²	117	28.4 Å²	28.4	44%	0.442	14%	0.14	S	C	.	.	S	Bend	trans	-51.9	-42.5	-176	178.9	-179.5	79.8	-169.9	13.6	112.1	G182 K183 V184 D203 E246	G182-R205 WeakPolarHBondContact O-CB 3.34Å; K183-R205 WeakPolarHBondContact O-CB 3.2Å; K183-R205 PolarHBondContact O-N 3.01Å; V184-R205 VanDerWaalsContact CG2-CZ 3.47Å; D203-R205 PolarHBondContact O-N 3.47Å; R205-E246 IonicContact NH2-OE2 3.53Å; R205-E246 PolarHBondContact NH2-OE2 2.83Å
206	R	98.7	Very high	96.9	Very high	84 Å²	84	30.6 Å²	30.6	32%	0.317	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	144.1	178.7	-176.6	171.4	-68.1	138.2	0.7	110.3	K183 V184 V185 A204 Y208 R231 I233 E246	K183-R206 PolarHBondContact O-N 3.49Å; V184-R206 CarbonylContact C-O 3.5Å; V184-R206 WeakPolarHBondContact CA-O 3.43Å; V184-R206 HydrophobicContact CG1-CB 4.45Å; V185-R206 PolarHBondContact N-O 2.89Å; A204-R206 PolarHBondContact O-N 3.1Å; A204-R206 VanDerWaalsContact O-N 3.14Å; R206-Y208 VanDerWaalsContact CD-CZ 3.47Å; R206-Y208 WeakPolarHBondContact CD-OH 3.36Å; R206-Y208 HydrophobicContact CG-CE2 4.28Å; R206-R231 CarbonylContact C-O 3.52Å; R206-R231 VanDerWaalsContact CA-O 3.27Å; R206-R231 WeakPolarHBondContact CA-O 3.38Å; R206-R231 WeakPolarHBondContact CG-O 3.43Å; R206-I233 HydrophobicContact CG-CG1 4.37Å; R206-E246 IonicContact CZ-OE1 3.91Å; R206-E246 IonicContact NH1-OE1 2.77Å; R206-E246 PolarHBondContact NH1-OE1 3.14Å
207	V	98.9	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.4	168.8	178.1	0	0	0	0	108.8	V185 D187 S196 A199 M200 A204 R231 I232 I233	V185-V207 HydrophobicContact CB-CB 4.48Å; V185-V207 HydrophobicContact CB-CG1 4.47Å; V185-V207 HydrophobicContact CB-CG2 3.87Å; V185-V207 HydrophobicContact CG1-CG2 4.42Å; V185-V207 HydrophobicContact CG2-CG2 4.44Å; V185-V207 CarbonylContact O-C 3.54Å; V185-V207 VanDerWaalsContact O-CA 3.28Å; V185-V207 WeakPolarHBondContact O-CA 3.14Å; D187-V207 HydrophobicContact CB-CG1 4.17Å; S196-V207 VanDerWaalsContact OG-CG1 3.29Å; S196-V207 WeakPolarHBondContact OG-CG1 3.41Å; A199-V207 HydrophobicContact CB-CG2 3.75Å; M200-V207 HydrophobicContact CE-CB 3.91Å; M200-V207 HydrophobicContact CE-CG2 3.19Å; A204-V207 HydrophobicContact CB-CG2 4.3Å; V207-R231 PolarHBondContact N-O 3.09Å; V207-I232 HydrophobicContact CB-CG1 4.27Å; V207-I232 CarbonylContact O-C 3.44Å; V207-I232 WeakPolarHBondContact O-CA 3.42Å; V207-I233 PolarHBondContact O-N 2.66Å
208	Y	98.6	Very high	96.7	Very high	11 Å²	11	36.7 Å²	36.7	4%	0.043	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	110.4	164.4	-64.6	-75.8	0	0	0	108.1	V184 V185 L186 D187 R206 I233 V235 L244 P245 E246 V248	V184-Y208 HydrophobicContact CG1-CD2 3.97Å; V184-Y208 HydrophobicContact CG1-CE2 3.65Å; V185-Y208 PolarHBondContact O-N 2.98Å; L186-Y208 WeakPolarHBondContact CD1-O 3.37Å; D187-Y208 PolarHBondContact N-O 2.85Å; R206-Y208 VanDerWaalsContact CD-CZ 3.47Å; R206-Y208 WeakPolarHBondContact CD-OH 3.36Å; R206-Y208 HydrophobicContact CG-CE2 4.28Å; Y208-I233 WeakPolarHBondContact CA-O 3.24Å; Y208-I233 HydrophobicContact CD1-CB 3.94Å; Y208-I233 HydrophobicContact CD1-CG1 4.44Å; Y208-I233 HydrophobicContact CD1-CG2 4.29Å; Y208-I233 HydrophobicContact CE1-CB 4.2Å; Y208-I233 HydrophobicContact CE1-CG1 4.27Å; Y208-I233 HydrophobicContact CE1-CG2 4.44Å; Y208-V235 HydrophobicContact CD1-CG2 4.3Å; Y208-L244 HydrophobicContact CD1-CD2 3.88Å; Y208-L244 HydrophobicContact CD2-CD1 4.34Å; Y208-L244 HydrophobicContact CD2-CD2 4.37Å; Y208-L244 HydrophobicContact CG-CD1 4.41Å; Y208-L244 HydrophobicContact CG-CD2 3.79Å; Y208-P245 HydrophobicContact CE1-CG 4.04Å; Y208-P245 WeakPolarHBondContact OH-CG 3.34Å; Y208-E246 HydrophobicContact CE2-CG 3.9Å; Y208-E246 PolarHBondContact OH-OE1 2.74Å; Y208-V248 HydrophobicContact CD2-CG1 4.15Å
209	A	98.4	Very high	96.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	99.2	-178.2	0	0	0	0	0	109.6	A190 S196 I232 I233 V234 V235	A190-A209 HydrophobicContact CB-CB 3.78Å; S196-A209 WeakPolarHBondContact OG-CB 3.42Å; A209-I232 HydrophobicContact CB-CG2 3.92Å; A209-I233 PolarHBondContact N-O 2.74Å; A209-V234 HydrophobicContact CB-CG2 4.46Å; A209-V234 CarbonylContact O-C 3.59Å; A209-V234 WeakPolarHBondContact O-CA 3.41Å; A209-V235 PolarHBondContact O-N 2.94Å
210	V	96.4	Very high	96.6	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.6	-174	-177.5	0	0	0	0	109.6	L186 D187 G189 A190 V235 G237 I239 I242	L186-V210 HydrophobicContact CD1-CB 4.47Å; L186-V210 HydrophobicContact CD1-CG2 3.44Å; L186-V210 VanDerWaalsContact CD1-CG2 3.44Å; D187-V210 PolarHBondContact O-N 3.5Å; G189-V210 CarbonylContact C-O 3.49Å; G189-V210 VanDerWaalsContact CA-O 3.27Å; G189-V210 WeakPolarHBondContact CA-O 3.45Å; G189-V210 PolarHBondContact N-O 3.49Å; A190-V210 PolarHBondContact N-O 3.26Å; V210-V235 WeakPolarHBondContact CA-O 3.44Å; V210-V235 HydrophobicContact CG2-CB 4.21Å; V210-G237 WeakPolarHBondContact CG1-O 3.28Å; V210-I239 HydrophobicContact CG1-CB 4.44Å; V210-I239 HydrophobicContact CG1-CD1 4.29Å; V210-I239 HydrophobicContact CG2-CD1 4.21Å; V210-I242 HydrophobicContact CB-CD1 4.28Å; V210-I242 HydrophobicContact CG1-CD1 3.87Å; V210-I242 HydrophobicContact CG1-CG2 4.39Å; V210-I242 HydrophobicContact CG2-CD1 3.37Å
211	E	95	Very high	96.5	Very high	13 Å²	13	46.4 Å²	46.4	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	126.6	-178.6	177.1	49	-125.6	0	0	110.6	A190 G191 S213 M215 V235 P236 G237	A190-E211 PolarHBondContact N-OE2 2.97Å; G191-E211 WeakPolarHBondContact CA-OE2 3.43Å; G191-E211 PolarHBondContact N-OE2 2.92Å; E211-S213 WeakPolarHBondContact OE1-CA 3.48Å; E211-S213 WeakPolarHBondContact OE1-CB 3.41Å; E211-S213 PolarHBondContact OE1-N 3.42Å; E211-S213 PolarHBondContact OE1-OG 3.1Å; E211-M215 HydrophobicContact CG-CB 4.17Å; E211-V235 PolarHBondContact N-O 3.37Å; E211-P236 CarbonylContact O-C 3.54Å; E211-P236 WeakPolarHBondContact O-CA 3.46Å; E211-G237 CarbonylContact C-O 3.51Å; E211-G237 PolarHBondContact O-N 2.88Å
212	A	90.4	Very high	96.5	Very high	34 Å²	34	44.9 Å²	44.9	28%	0.281	22%	0.215	S	C	.	.			trans	-92.8	-27.8	-174.1	0	0	0	0	0	113.2	F147 M238	F147-A212 HydrophobicContact CD1-CB 3.79Å; F147-A212 HydrophobicContact CE1-CB 3.41Å; F147-A212 VanDerWaalsContact CE1-CB 3.41Å; F147-A212 HydrophobicContact CZ-CB 3.82Å; A212-M238 HydrophobicContact CB-CG 3.94Å
213	S	90.7	Very high	96.5	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.021	21%	0.208	C	C	.	.	S	Bend	trans	-77.8	168.4	174.8	74.1	0	0	0	0	111.8	F147 E211 M215 Y216	F147-S213 WeakPolarHBondContact O-CB 3.38Å; E211-S213 WeakPolarHBondContact OE1-CA 3.48Å; E211-S213 WeakPolarHBondContact OE1-CB 3.41Å; E211-S213 PolarHBondContact OE1-N 3.42Å; E211-S213 PolarHBondContact OE1-OG 3.1Å; S213-M215 PolarHBondContact O-N 3.28Å; S213-M215 VanDerWaalsContact OG-CB 3.23Å; S213-M215 WeakPolarHBondContact OG-CB 3.35Å; S213-M215 PolarHBondContact OG-N 2.76Å; S213-Y216 WeakPolarHBondContact O-CD1 3.34Å; S213-Y216 PolarHBondContact O-N 2.98Å
214	S	92	Very high	96.5	Very high	61 Å²	61	44.8 Å²	44.8	43%	0.427	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-7.6	172.7	58.4	0	0	0	0	114.3	Y216 E217	S214-Y216 PolarHBondContact O-N 2.95Å; S214-E217 PolarHBondContact O-N 3.17Å
215	M	95.3	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.4	176.1	-166.7	55.4	52.4	0	0	112.8	G151 L153 Q156 G191 E211 S213 E217 H218 C219	G151-M215 VanDerWaalsContact C-CE 3.43Å; G151-M215 WeakPolarHBondContact O-CE 3.43Å; L153-M215 HydrophobicContact CD2-CE 4.1Å; L153-M215 HydrophobicContact CD2-SD 3.86Å; L153-M215 HydrophobicContact CG-CE 4.37Å; Q156-M215 HydrophobicContact CG-CE 3.5Å; Q156-M215 VanDerWaalsContact CG-CE 3.5Å; Q156-M215 HydrophobicContact CG-CG 3.91Å; Q156-M215 HydrophobicContact CG-SD 3.72Å; G191-M215 VanDerWaalsContact C-CG 3.4Å; G191-M215 WeakPolarHBondContact O-CG 3.33Å; E211-M215 HydrophobicContact CG-CB 4.17Å; S213-M215 PolarHBondContact O-N 3.28Å; S213-M215 VanDerWaalsContact OG-CB 3.23Å; S213-M215 WeakPolarHBondContact OG-CB 3.35Å; S213-M215 PolarHBondContact OG-N 2.76Å; M215-E217 PolarHBondContact O-N 3.45Å; M215-E217 VanDerWaalsContact O-N 3.16Å; M215-H218 WeakPolarHBondContact O-CB 3.22Å; M215-H218 PolarHBondContact O-N 2.62Å; M215-H218 HydrophobicContact SD-CB 3.66Å; M215-C219 PolarHBondContact O-N 3.35Å
216	Y	93.9	Very high	96.5	Very high	62 Å²	62	47.7 Å²	47.7	24%	0.243	24%	0.242	C	C	.	.	H	α-helix	trans	-54.4	-35.4	175.5	81.7	-102.6	0	0	0	112.2	S213 S214 H218 C219 E220 P236	S213-Y216 WeakPolarHBondContact O-CD1 3.34Å; S213-Y216 PolarHBondContact O-N 2.98Å; S214-Y216 PolarHBondContact O-N 2.95Å; Y216-H218 VanDerWaalsContact C-N 3.31Å; Y216-H218 PolarHBondContact O-N 2.87Å; Y216-C219 WeakPolarHBondContact O-CB 3.35Å; Y216-C219 PolarHBondContact O-N 3.12Å; Y216-E220 WeakPolarHBondContact O-CG 3.41Å; Y216-E220 PolarHBondContact O-N 3.41Å; Y216-P236 HydrophobicContact CD1-CB 3.78Å; Y216-P236 HydrophobicContact CD1-CG 4.21Å; Y216-P236 HydrophobicContact CD2-CB 3.99Å; Y216-P236 HydrophobicContact CD2-CG 3.45Å; Y216-P236 VanDerWaalsContact CD2-CG 3.45Å; Y216-P236 HydrophobicContact CE1-CB 3.97Å; Y216-P236 HydrophobicContact CE1-CG 4.41Å; Y216-P236 HydrophobicContact CE2-CB 4.1Å; Y216-P236 HydrophobicContact CE2-CG 3.63Å; Y216-P236 HydrophobicContact CG-CB 3.84Å; Y216-P236 HydrophobicContact CG-CG 3.79Å
217	E	96	Very high	96.4	Very high	92 Å²	92	46.9 Å²	46.9	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-34.3	178.7	-62.8	-175.6	166.6	0	0	111.9	S214 M215 K221	S214-E217 PolarHBondContact O-N 3.17Å; M215-E217 PolarHBondContact O-N 3.45Å; M215-E217 VanDerWaalsContact O-N 3.16Å; E217-K221 WeakPolarHBondContact O-CG 3.35Å; E217-K221 PolarHBondContact O-N 3.45Å
218	H	97.8	Very high	96.4	Very high	58 Å²	58	49.6 Å²	49.6	27%	0.269	27%	0.272	S	S	.	.	H	α-helix	trans	-75.9	-38.3	174.9	-65.6	-63.5	0	0	0	111.3	L153 M215 Y216 K221 L222	L153-H218 HydrophobicContact CD2-CB 4.34Å; M215-H218 WeakPolarHBondContact O-CB 3.22Å; M215-H218 PolarHBondContact O-N 2.62Å; M215-H218 HydrophobicContact SD-CB 3.66Å; Y216-H218 VanDerWaalsContact C-N 3.31Å; Y216-H218 PolarHBondContact O-N 2.87Å; H218-K221 PolarHBondContact O-N 3.29Å; H218-L222 PolarHBondContact O-N 3.44Å
219	C	97.8	Very high	96.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-47.7	171.7	-175.2	0	0	0	0	110.8	G191 M215 Y216 K221 L222 V223 V234	G191-C219 WeakPolarHBondContact O-CB 3.36Å; M215-C219 PolarHBondContact O-N 3.35Å; Y216-C219 WeakPolarHBondContact O-CB 3.35Å; Y216-C219 PolarHBondContact O-N 3.12Å; C219-K221 VanDerWaalsContact C-N 3.33Å; C219-K221 PolarHBondContact O-N 2.85Å; C219-L222 PolarHBondContact O-N 2.89Å; C219-L222 VanDerWaalsContact O-N 3.11Å; C219-V223 WeakPolarHBondContact O-CB 3.35Å; C219-V223 VanDerWaalsContact O-CG2 3.3Å; C219-V223 WeakPolarHBondContact O-CG2 3.5Å; C219-V223 PolarHBondContact O-N 3.42Å; C219-V234 HydrophobicContact CB-CG1 4.47Å; C219-V234 HydrophobicContact CB-CG2 4.38Å
220	E	97.4	Very high	96.1	Very high	93 Å²	93	62.6 Å²	62.6	44%	0.435	33%	0.331	S	S	.	.	H	α-helix	trans	-57.4	-42.8	176.2	-75.6	-174.6	148.6	0	0	112.6	Y216 L222 V223 E224 V234	Y216-E220 WeakPolarHBondContact O-CG 3.41Å; Y216-E220 PolarHBondContact O-N 3.41Å; E220-L222 PolarHBondContact O-N 2.84Å; E220-V223 PolarHBondContact O-N 3.47Å; E220-E224 WeakPolarHBondContact O-CB 3.42Å; E220-E224 PolarHBondContact O-N 2.88Å; E220-V234 HydrophobicContact CG-CB 3.62Å; E220-V234 HydrophobicContact CG-CG1 3.92Å; E220-V234 HydrophobicContact CG-CG2 3.7Å
221	K	98.1	Very high	96.2	Very high	127 Å²	127	66 Å²	66	55%	0.552	34%	0.344	S	S	*	.	H	α-helix	trans	-62.4	-41.4	175.8	-72.3	170.6	-176.3	167	0	112.2	E217 H218 C219 S225	E217-K221 WeakPolarHBondContact O-CG 3.35Å; E217-K221 PolarHBondContact O-N 3.45Å; H218-K221 PolarHBondContact O-N 3.29Å; C219-K221 VanDerWaalsContact C-N 3.33Å; C219-K221 PolarHBondContact O-N 2.85Å; K221-S225 WeakPolarHBondContact O-CB 3.34Å; K221-S225 PolarHBondContact O-N 3.42Å; K221-S225 PolarHBondContact O-OG 2.98Å
222	L	98.4	Very high	96.3	Very high	67 Å²	67	65.5 Å²	65.5	35%	0.351	34%	0.342	S	S	.	.	H	α-helix	trans	-66.6	-42.8	175.8	-72.9	174.6	0	0	0	111.2	S192 F197 H218 C219 E220 E224 S225 N226	S192-L222 WeakPolarHBondContact O-CD1 3.35Å; F197-L222 HydrophobicContact CE2-CB 3.95Å; F197-L222 HydrophobicContact CZ-CB 3.77Å; H218-L222 PolarHBondContact O-N 3.44Å; C219-L222 PolarHBondContact O-N 2.89Å; C219-L222 VanDerWaalsContact O-N 3.11Å; E220-L222 PolarHBondContact O-N 2.84Å; L222-E224 PolarHBondContact O-N 3.27Å; L222-S225 WeakPolarHBondContact CA-OG 3.48Å; L222-S225 PolarHBondContact O-N 2.99Å; L222-S225 PolarHBondContact O-OG 2.83Å; L222-S225 VanDerWaalsContact O-OG 3.09Å; L222-N226 WeakPolarHBondContact O-CB 3.16Å; L222-N226 PolarHBondContact O-N 2.76Å; L222-N226 PolarHBondContact O-ND2 3.45Å
223	V	98.2	Very high	96.7	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.03	34%	0.341	C	S	.	.	H	α-helix	trans	-61.5	-44.5	178.9	165.7	0	0	0	0	111.2	F197 C219 E220 G227 F228 I232 V234	F197-V223 HydrophobicContact CE1-CG2 4.45Å; F197-V223 HydrophobicContact CZ-CG2 3.97Å; C219-V223 WeakPolarHBondContact O-CB 3.35Å; C219-V223 VanDerWaalsContact O-CG2 3.3Å; C219-V223 WeakPolarHBondContact O-CG2 3.5Å; C219-V223 PolarHBondContact O-N 3.42Å; E220-V223 PolarHBondContact O-N 3.47Å; V223-G227 PolarHBondContact O-N 3.36Å; V223-F228 HydrophobicContact CG1-CB 4.38Å; V223-F228 PolarHBondContact O-N 3.25Å; V223-I232 HydrophobicContact CG1-CB 3.85Å; V223-I232 HydrophobicContact CG1-CG2 4.38Å; V223-I232 HydrophobicContact CG2-CB 3.85Å; V223-I232 HydrophobicContact CG2-CD1 4Å; V223-I232 HydrophobicContact CG2-CG2 3.58Å; V223-V234 HydrophobicContact CG2-CG2 4.14Å
224	E	97.9	Very high	96.9	Very high	111 Å²	111	66.9 Å²	66.9	52%	0.519	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-48.7	177.9	-180	162.8	-129.4	0	0	112	E220 L222 N226 G227 K229	E220-E224 WeakPolarHBondContact O-CB 3.42Å; E220-E224 PolarHBondContact O-N 2.88Å; L222-E224 PolarHBondContact O-N 3.27Å; E224-N226 PolarHBondContact O-N 2.95Å; E224-G227 PolarHBondContact O-N 3.29Å; E224-K229 HydrophobicContact CG-CD 4.33Å; E224-K229 IonicContact OE1-NZ 3.59Å; E224-K229 PolarHBondContact OE1-NZ 3.35Å
225	S	98	Very high	97	Very high	88 Å²	88	65.2 Å²	65.2	62%	0.615	33%	0.331	S	S	*	.	H	α-helix	trans	-65.1	-25.9	-178.9	54.4	0	0	0	0	113.9	K221 L222	K221-S225 WeakPolarHBondContact O-CB 3.34Å; K221-S225 PolarHBondContact O-N 3.42Å; K221-S225 PolarHBondContact O-OG 2.98Å; L222-S225 WeakPolarHBondContact CA-OG 3.48Å; L222-S225 PolarHBondContact O-N 2.99Å; L222-S225 PolarHBondContact O-OG 2.83Å; L222-S225 VanDerWaalsContact O-OG 3.09Å
226	N	98.3	Very high	96.9	Very high	91 Å²	91	68.2 Å²	68.2	49%	0.487	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	7.9	175.4	-71.4	-87.5	0	0	0	113.3	F197 L222 E224 F228	F197-N226 HydrophobicContact CE1-CB 3.9Å; L222-N226 WeakPolarHBondContact O-CB 3.16Å; L222-N226 PolarHBondContact O-N 2.76Å; L222-N226 PolarHBondContact O-ND2 3.45Å; E224-N226 PolarHBondContact O-N 2.95Å; N226-F228 VanDerWaalsContact C-N 3.33Å; N226-F228 HydrophobicContact CB-CD2 3.87Å; N226-F228 HydrophobicContact CB-CE2 4.24Å; N226-F228 VanDerWaalsContact O-CD2 3.27Å; N226-F228 WeakPolarHBondContact O-CD2 3.32Å; N226-F228 PolarHBondContact O-N 2.93Å
227	G	97.5	Very high	96.6	Very high	67 Å²	67	66.4 Å²	66.4	69%	0.691	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	18.3	173.5	0	0	0	0	0	115.1	V223 E224	V223-G227 PolarHBondContact O-N 3.36Å; E224-G227 PolarHBondContact O-N 3.29Å
228	F	97.9	Very high	96.2	Very high	57 Å²	57	64.1 Å²	64.1	25%	0.25	34%	0.341	C	S	.	.			trans	-103.6	10.6	-177.1	-69.1	-64.7	0	0	0	114.3	F197 M200 V223 N226 E230 R231 I232	F197-F228 AromaticContact CD1-CD2 3.95Å; F197-F228 HydrophobicContact CD1-CD2 3.95Å; F197-F228 HydrophobicContact CD1-CE2 4.29Å; F197-F228 AromaticContact CE1-CD2 3.94Å; F197-F228 HydrophobicContact CE1-CD2 3.94Å; M200-F228 HydrophobicContact CB-CD1 4.07Å; M200-F228 HydrophobicContact CB-CE1 3.81Å; M200-F228 HydrophobicContact CB-CE2 4.31Å; M200-F228 HydrophobicContact CB-CG 4.44Å; M200-F228 HydrophobicContact CB-CZ 3.94Å; M200-F228 HydrophobicContact CG-CD1 3.77Å; M200-F228 HydrophobicContact CG-CD2 4.49Å; M200-F228 HydrophobicContact CG-CE1 4.04Å; M200-F228 HydrophobicContact CG-CG 4.02Å; M200-F228 HydrophobicContact SD-CD1 3.81Å; M200-F228 HydrophobicContact SD-CE1 4.2Å; M200-F228 HydrophobicContact SD-CG 4.49Å; V223-F228 HydrophobicContact CG1-CB 4.38Å; V223-F228 PolarHBondContact O-N 3.25Å; N226-F228 VanDerWaalsContact C-N 3.33Å; N226-F228 HydrophobicContact CB-CD2 3.87Å; N226-F228 HydrophobicContact CB-CE2 4.24Å; N226-F228 VanDerWaalsContact O-CD2 3.27Å; N226-F228 WeakPolarHBondContact O-CD2 3.32Å; N226-F228 PolarHBondContact O-N 2.93Å; F228-E230 PolarHBondContact O-N 3.18Å; F228-R231 PolarHBondContact O-N 3.04Å; F228-I232 HydrophobicContact CB-CD1 3.79Å; F228-I232 HydrophobicContact CB-CG1 4Å; F228-I232 HydrophobicContact CG-CD1 4.28Å; F228-I232 PolarHBondContact O-N 3.06Å
229	K	95.1	Very high	96	Very high	108 Å²	108	61.6 Å²	61.6	47%	0.47	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-32	-175.6	-168.8	175.3	-172.7	169.5	0	115.6	E224	E224-K229 HydrophobicContact CG-CD 4.33Å; E224-K229 IonicContact OE1-NZ 3.59Å; E224-K229 PolarHBondContact OE1-NZ 3.35Å
230	E	95.9	Very high	95.8	Very high	175 Å²	175	62.4 Å²	62.4	82%	0.818	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-16.9	179.7	-60.4	-168.8	171.4	0	0	113.7	F228	F228-E230 PolarHBondContact O-N 3.18Å
231	R	98	Very high	95.3	Very high	73 Å²	73	59.4 Å²	59.4	28%	0.275	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-34.2	-173	-68.1	177.8	65.4	172.5	5	113	M200 D203 A204 R206 V207 F228	M200-R231 HydrophobicContact CE-CB 4.04Å; M200-R231 HydrophobicContact SD-CB 3.65Å; D203-R231 PolarHBondContact O-NH2 2.91Å; D203-R231 IonicContact OD1-CZ 2.69Å; D203-R231 VanDerWaalsContact OD1-CZ 3.27Å; D203-R231 IonicContact OD1-NH1 2.67Å; D203-R231 PolarHBondContact OD1-NH1 3.31Å; D203-R231 IonicContact OD1-NH2 2.85Å; D203-R231 PolarHBondContact OD1-NH2 3.49Å; A204-R231 VanDerWaalsContact C-NH2 3.26Å; A204-R231 PolarHBondContact O-NE 3.42Å; A204-R231 PolarHBondContact O-NH2 3.37Å; R206-R231 CarbonylContact C-O 3.52Å; R206-R231 VanDerWaalsContact CA-O 3.27Å; R206-R231 WeakPolarHBondContact CA-O 3.38Å; R206-R231 WeakPolarHBondContact CG-O 3.43Å; V207-R231 PolarHBondContact N-O 3.09Å; F228-R231 PolarHBondContact O-N 3.04Å
232	I	98.5	Very high	94.7	Very high	3 Å²	3	54 Å²	54	2%	0.015	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	111.1	169.2	-56.1	172.7	0	0	0	107.9	F197 M200 V207 A209 V223 F228	F197-I232 HydrophobicContact CD1-CD1 3.89Å; F197-I232 HydrophobicContact CE1-CD1 3.85Å; F197-I232 HydrophobicContact CZ-CD1 4.45Å; M200-I232 HydrophobicContact CE-CG1 4.05Å; M200-I232 HydrophobicContact CG-CD1 3.58Å; M200-I232 HydrophobicContact CG-CG1 3.57Å; M200-I232 HydrophobicContact SD-CG1 4.12Å; V207-I232 HydrophobicContact CB-CG1 4.27Å; V207-I232 CarbonylContact O-C 3.44Å; V207-I232 WeakPolarHBondContact O-CA 3.42Å; A209-I232 HydrophobicContact CB-CG2 3.92Å; V223-I232 HydrophobicContact CG1-CB 3.85Å; V223-I232 HydrophobicContact CG1-CG2 4.38Å; V223-I232 HydrophobicContact CG2-CB 3.85Å; V223-I232 HydrophobicContact CG2-CD1 4Å; V223-I232 HydrophobicContact CG2-CG2 3.58Å; F228-I232 HydrophobicContact CB-CD1 3.79Å; F228-I232 HydrophobicContact CB-CG1 4Å; F228-I232 HydrophobicContact CG-CD1 4.28Å; F228-I232 PolarHBondContact O-N 3.06Å
233	I	97.5	Very high	94.1	Very high	50 Å²	50	57.1 Å²	57.1	26%	0.256	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	106	176.4	-50.4	-55.8	0	0	0	107.7	R206 V207 Y208 A209 V235	R206-I233 HydrophobicContact CG-CG1 4.37Å; V207-I233 PolarHBondContact O-N 2.66Å; Y208-I233 WeakPolarHBondContact CA-O 3.24Å; Y208-I233 HydrophobicContact CD1-CB 3.94Å; Y208-I233 HydrophobicContact CD1-CG1 4.44Å; Y208-I233 HydrophobicContact CD1-CG2 4.29Å; Y208-I233 HydrophobicContact CE1-CB 4.2Å; Y208-I233 HydrophobicContact CE1-CG1 4.27Å; Y208-I233 HydrophobicContact CE1-CG2 4.44Å; A209-I233 PolarHBondContact N-O 2.74Å; I233-V235 HydrophobicContact CG2-CG2 4.32Å
234	V	95.4	Very high	93.4	Very high	17 Å²	17	57.2 Å²	57.2	10%	0.103	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129	174.3	-174.3	0	0	0	0	108.9	A209 C219 E220 V223	A209-V234 HydrophobicContact CB-CG2 4.46Å; A209-V234 CarbonylContact O-C 3.59Å; A209-V234 WeakPolarHBondContact O-CA 3.41Å; C219-V234 HydrophobicContact CB-CG1 4.47Å; C219-V234 HydrophobicContact CB-CG2 4.38Å; E220-V234 HydrophobicContact CG-CB 3.62Å; E220-V234 HydrophobicContact CG-CG1 3.92Å; E220-V234 HydrophobicContact CG-CG2 3.7Å; V223-V234 HydrophobicContact CG2-CG2 4.14Å
235	V	94.2	Very high	92.9	Very high	25 Å²	25	54 Å²	54	15%	0.152	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	99.9	-177.9	-175.1	0	0	0	0	108.5	Y208 A209 V210 E211 I233 G237 I242 L244	Y208-V235 HydrophobicContact CD1-CG2 4.3Å; A209-V235 PolarHBondContact O-N 2.94Å; V210-V235 WeakPolarHBondContact CA-O 3.44Å; V210-V235 HydrophobicContact CG2-CB 4.21Å; E211-V235 PolarHBondContact N-O 3.37Å; I233-V235 HydrophobicContact CG2-CG2 4.32Å; V235-G237 PolarHBondContact O-N 3.28Å; V235-I242 HydrophobicContact CG1-CB 4.18Å; V235-I242 HydrophobicContact CG1-CD1 4.14Å; V235-I242 HydrophobicContact CG1-CG2 3.84Å; V235-L244 HydrophobicContact CG2-CD2 4.4Å
236	P	92.9	Very high	92.7	Very high	63 Å²	63	52.1 Å²	52.1	41%	0.409	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	126.3	177.6	-19.8	33	0	0	0	110.9	E211 Y216	E211-P236 CarbonylContact O-C 3.54Å; E211-P236 WeakPolarHBondContact O-CA 3.46Å; Y216-P236 HydrophobicContact CD1-CB 3.78Å; Y216-P236 HydrophobicContact CD1-CG 4.21Å; Y216-P236 HydrophobicContact CD2-CB 3.99Å; Y216-P236 HydrophobicContact CD2-CG 3.45Å; Y216-P236 VanDerWaalsContact CD2-CG 3.45Å; Y216-P236 HydrophobicContact CE1-CB 3.97Å; Y216-P236 HydrophobicContact CE1-CG 4.41Å; Y216-P236 HydrophobicContact CE2-CB 4.1Å; Y216-P236 HydrophobicContact CE2-CG 3.63Å; Y216-P236 HydrophobicContact CG-CB 3.84Å; Y216-P236 HydrophobicContact CG-CG 3.79Å
237	G	87.8	Confident	92.7	Very high	24 Å²	24	51.7 Å²	51.7	25%	0.247	27%	0.273	C	S	.	.	S	Bend	trans	139.2	174.8	173.4	0	0	0	0	0	115	V210 E211 V235	V210-G237 WeakPolarHBondContact CG1-O 3.28Å; E211-G237 CarbonylContact C-O 3.51Å; E211-G237 PolarHBondContact O-N 2.88Å; V235-G237 PolarHBondContact O-N 3.28Å
238	M	88.3	Confident	92.7	Very high	44 Å²	44	48.5 Å²	48.5	22%	0.217	24%	0.24	C	C	.	.			trans	-78.2	138.1	177.4	-63	178.1	-69	0	0	110.5	F134 F147 A212 E240 D241 I242	F134-M238 HydrophobicContact CB-SD 4.09Å; F134-M238 HydrophobicContact CD1-CE 4.38Å; F134-M238 HydrophobicContact CD1-SD 3.25Å; F134-M238 WeakPolarHBondContact CD1-SD 3.5Å; F134-M238 HydrophobicContact CD2-SD 4.43Å; F134-M238 HydrophobicContact CE1-SD 3.7Å; F134-M238 HydrophobicContact CG-SD 3.67Å; F134-M238 HydrophobicContact CZ-SD 4.46Å; F147-M238 HydrophobicContact CE2-CG 4.34Å; F147-M238 HydrophobicContact CE2-SD 4.03Å; F147-M238 HydrophobicContact CZ-CG 4.02Å; F147-M238 HydrophobicContact CZ-SD 4.14Å; A212-M238 HydrophobicContact CB-CG 3.94Å; M238-E240 PolarHBondContact O-N 2.75Å; M238-E240 VanDerWaalsContact O-N 3.1Å; M238-D241 WeakPolarHBondContact CE-OD2 3.18Å; M238-D241 PolarHBondContact O-N 2.77Å; M238-I242 WeakPolarHBondContact O-CG2 3.47Å; M238-I242 PolarHBondContact O-N 3Å; M238-I242 VanDerWaalsContact O-N 3.14Å
239	I	93.7	Very high	92.8	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.5	-176.2	-171.7	58	0	0	0	112.9	L186 V188 V210 D241 I242 S268 A272 K274 F275	L186-I239 HydrophobicContact CD1-CD1 4.38Å; L186-I239 HydrophobicContact CD2-CD1 4.09Å; V188-I239 HydrophobicContact CG1-CB 4.07Å; V188-I239 HydrophobicContact CG1-CG1 4.09Å; V188-I239 HydrophobicContact CG1-CG2 4.1Å; V188-I239 HydrophobicContact CG2-CD1 4.46Å; V188-I239 HydrophobicContact CG2-CG1 4.44Å; V210-I239 HydrophobicContact CG1-CB 4.44Å; V210-I239 HydrophobicContact CG1-CD1 4.29Å; V210-I239 HydrophobicContact CG2-CD1 4.21Å; I239-D241 PolarHBondContact O-N 2.73Å; I239-I242 HydrophobicContact CD1-CD1 3.73Å; I239-I242 HydrophobicContact CD1-CG1 4.01Å; I239-S268 WeakPolarHBondContact CG2-O 3.34Å; I239-A272 HydrophobicContact CD1-CB 4.22Å; I239-A272 HydrophobicContact CG1-CB 3.72Å; I239-K274 PolarHBondContact O-NZ 2.96Å; I239-F275 HydrophobicContact CD1-CD2 4.06Å; I239-F275 HydrophobicContact CD1-CE2 3.79Å
240	E	92.6	Very high	92.9	Very high	17 Å²	17	42.2 Å²	42.2	8%	0.079	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.4	175.5	-65.1	85.2	164.4	0	0	112.6	A133 F134 R137 M238 S268 K274	A133-E240 HydrophobicContact CB-CB 4.44Å; A133-E240 HydrophobicContact CB-CG 4.03Å; F134-E240 HydrophobicContact CB-CB 4.38Å; F134-E240 HydrophobicContact CB-CG 4.05Å; R137-E240 IonicContact NH2-OE1 2.76Å; R137-E240 PolarHBondContact NH2-OE1 3.17Å; R137-E240 VanDerWaalsContact NH2-OE1 3.12Å; M238-E240 PolarHBondContact O-N 2.75Å; M238-E240 VanDerWaalsContact O-N 3.1Å; E240-S268 WeakPolarHBondContact OE1-CB 3.43Å; E240-S268 PolarHBondContact OE1-OG 2.83Å; E240-K274 PolarHBondContact O-NZ 2.82Å
241	D	87.3	Confident	93.1	Very high	30 Å²	30	33.9 Å²	33.9	16%	0.16	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-20.7	-168.6	-69.4	-43.8	0	0	0	114.5	N28 S132 M238 I239	N28-D241 WeakPolarHBondContact ND2-CB 3.36Å; N28-D241 PolarHBondContact ND2-O 3.26Å; S132-D241 WeakPolarHBondContact CB-OD1 3.12Å; S132-D241 WeakPolarHBondContact CB-OD2 3.25Å; S132-D241 PolarHBondContact OG-OD2 2.7Å; M238-D241 WeakPolarHBondContact CE-OD2 3.18Å; M238-D241 PolarHBondContact O-N 2.77Å; I239-D241 PolarHBondContact O-N 2.73Å
242	I	85.5	Confident	93.1	Very high	14 Å²	14	30.4 Å²	30.4	7%	0.072	16%	0.162	C	C	.	.			trans	-72.1	166.2	-179	66.3	155.1	0	0	0	113.4	V210 V235 M238 I239 L244 F275	V210-I242 HydrophobicContact CB-CD1 4.28Å; V210-I242 HydrophobicContact CG1-CD1 3.87Å; V210-I242 HydrophobicContact CG1-CG2 4.39Å; V210-I242 HydrophobicContact CG2-CD1 3.37Å; V235-I242 HydrophobicContact CG1-CB 4.18Å; V235-I242 HydrophobicContact CG1-CD1 4.14Å; V235-I242 HydrophobicContact CG1-CG2 3.84Å; M238-I242 WeakPolarHBondContact O-CG2 3.47Å; M238-I242 PolarHBondContact O-N 3Å; M238-I242 VanDerWaalsContact O-N 3.14Å; I239-I242 HydrophobicContact CD1-CD1 3.73Å; I239-I242 HydrophobicContact CD1-CG1 4.01Å; I242-L244 HydrophobicContact CD1-CD2 3.77Å; I242-L244 HydrophobicContact CD1-CG 4.06Å; I242-F275 HydrophobicContact CD1-CE2 4.35Å; I242-F275 HydrophobicContact CG1-CE2 4.2Å; I242-F275 HydrophobicContact CG1-CZ 4.26Å
243	Y	86.5	Confident	93.1	Very high	132 Å²	132	30.2 Å²	30.2	52%	0.518	16%	0.161	S	C	.	.			trans	-121.2	138.9	167.4	170.8	-94.5	0	0	0	109.9	P245	Y243-P245 HydrophobicContact CE1-CB 4.32Å
244	L	82.5	Confident	93.2	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.037	15%	0.154	C	C	.	.			trans	-112.7	140.8	170.4	-60.8	-176.7	0	0	0	109.9	L186 Y208 V235 I242 E246 V248 F275	L186-L244 HydrophobicContact CD1-CD1 3.86Å; L186-L244 HydrophobicContact CD2-CD1 4Å; L186-L244 HydrophobicContact CG-CD1 4.42Å; Y208-L244 HydrophobicContact CD1-CD2 3.88Å; Y208-L244 HydrophobicContact CD2-CD1 4.34Å; Y208-L244 HydrophobicContact CD2-CD2 4.37Å; Y208-L244 HydrophobicContact CG-CD1 4.41Å; Y208-L244 HydrophobicContact CG-CD2 3.79Å; V235-L244 HydrophobicContact CG2-CD2 4.4Å; I242-L244 HydrophobicContact CD1-CD2 3.77Å; I242-L244 HydrophobicContact CD1-CG 4.06Å; L244-E246 PolarHBondContact O-N 3.01Å; L244-V248 HydrophobicContact CD1-CG1 4.36Å; L244-F275 HydrophobicContact CB-CD1 3.91Å; L244-F275 HydrophobicContact CB-CE1 3.92Å; L244-F275 HydrophobicContact CD1-CB 4.05Å; L244-F275 HydrophobicContact CD1-CD1 3.95Å; L244-F275 HydrophobicContact CD1-CD2 3.92Å; L244-F275 HydrophobicContact CD1-CE1 4.35Å; L244-F275 HydrophobicContact CD1-CE2 4.29Å; L244-F275 HydrophobicContact CD1-CG 3.72Å; L244-F275 HydrophobicContact CD1-CZ 4.5Å; L244-F275 HydrophobicContact CG-CD1 4.03Å; L244-F275 HydrophobicContact CG-CD2 4.4Å; L244-F275 HydrophobicContact CG-CE1 3.97Å; L244-F275 HydrophobicContact CG-CE2 4.32Å; L244-F275 HydrophobicContact CG-CG 4.25Å; L244-F275 HydrophobicContact CG-CZ 4.11Å
245	P	87	Confident	93.3	Very high	42 Å²	42	28.2 Å²	28.2	27%	0.273	15%	0.15	S	C	.	.	S	Bend	trans	-77.5	-8.2	-175.4	34.2	-38.2	0	0	0	113.8	Y208 Y243	Y208-P245 HydrophobicContact CE1-CG 4.04Å; Y208-P245 WeakPolarHBondContact OH-CG 3.34Å; Y243-P245 HydrophobicContact CE1-CB 4.32Å
246	E	93.6	Very high	93.5	Very high	49 Å²	49	27.2 Å²	27.2	23%	0.229	14%	0.144	C	C	.	.	S	Bend	trans	-150.7	158	178.1	67.1	-169	122.4	0	0	110.2	V184 R205 R206 Y208 L244	V184-E246 HydrophobicContact CG1-CG 4.21Å; V184-E246 WeakPolarHBondContact CG2-OE2 3.08Å; R205-E246 IonicContact NH2-OE2 3.53Å; R205-E246 PolarHBondContact NH2-OE2 2.83Å; R206-E246 IonicContact CZ-OE1 3.91Å; R206-E246 IonicContact NH1-OE1 2.77Å; R206-E246 PolarHBondContact NH1-OE1 3.14Å; Y208-E246 HydrophobicContact CE2-CG 3.9Å; Y208-E246 PolarHBondContact OH-OE1 2.74Å; L244-E246 PolarHBondContact O-N 3.01Å
247	L	98.1	Very high	93.7	Very high	83 Å²	83	24.3 Å²	24.3	44%	0.435	13%	0.125	S	C	.	.			trans	-73.5	151.6	168.4	-62.1	177.1	0	0	0	110.5	F275 K277	L247-F275 CarbonylContact C-O 3.49Å; L247-F275 VanDerWaalsContact CA-O 3.28Å; L247-F275 WeakPolarHBondContact CA-O 3.44Å; L247-F275 WeakPolarHBondContact CB-O 3.29Å; L247-F275 WeakPolarHBondContact CD2-O 3.3Å; L247-K277 HydrophobicContact CB-CG 3.58Å; L247-K277 HydrophobicContact CD1-CG 4.29Å; L247-K277 WeakPolarHBondContact O-CE 3.23Å
248	V	98.8	Very high	94.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	153.2	-178.7	-54.2	0	0	0	0	112	V184 L186 Y208 L244 I251 F275 L276 K277	V184-V248 HydrophobicContact CG1-CB 4.23Å; V184-V248 HydrophobicContact CG1-CG1 3.75Å; L186-V248 HydrophobicContact CB-CB 4.22Å; L186-V248 HydrophobicContact CB-CG1 3.89Å; L186-V248 HydrophobicContact CB-CG2 3.78Å; Y208-V248 HydrophobicContact CD2-CG1 4.15Å; L244-V248 HydrophobicContact CD1-CG1 4.36Å; V248-I251 HydrophobicContact CG2-CD1 4.4Å; V248-I251 HydrophobicContact CG2-CG1 3.69Å; V248-F275 WeakPolarHBondContact CG2-O 2.8Å; V248-F275 PolarHBondContact N-O 2.86Å; V248-L276 HydrophobicContact CG2-CD1 4.29Å; V248-K277 WeakPolarHBondContact O-CG 3.33Å; V248-K277 PolarHBondContact O-N 2.87Å
249	D	98.8	Very high	94.6	Very high	30 Å²	30	22.2 Å²	22.2	16%	0.16	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-35.2	176.8	-58.8	-76.2	0	0	0	111.7	K183 V184 K277 G280 K281	K183-D249 HydrophobicContact CB-CB 3.9Å; K183-D249 HydrophobicContact CD-CB 4.02Å; K183-D249 HydrophobicContact CG-CB 4.25Å; V184-D249 PolarHBondContact N-OD2 3.39Å; V184-D249 PolarHBondContact O-N 3.32Å; D249-K277 WeakPolarHBondContact OD1-CD 3.45Å; D249-K277 IonicContact OD1-NZ 2.72Å; D249-K277 PolarHBondContact OD1-NZ 2.88Å; D249-K277 IonicContact OD2-NZ 3.32Å; D249-K277 PolarHBondContact OD2-NZ 2.75Å; D249-G280 CarbonylContact O-C 3.58Å; D249-G280 WeakPolarHBondContact O-CA 3.14Å; D249-K281 PolarHBondContact O-N 3.2Å
250	T	98.9	Very high	94.8	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.9	-177.3	-59.2	0	0	0	0	110.1	D179 F180 V184 V185 L186 K281 Y283	D179-T250 PolarHBondContact O-OG1 2.55Å; F180-T250 HydrophobicContact CE1-CG2 3.83Å; F180-T250 HydrophobicContact CZ-CG2 3.93Å; V184-T250 PolarHBondContact O-N 3.13Å; V185-T250 CarbonylContact C-O 3.52Å; V185-T250 VanDerWaalsContact CA-O 3.27Å; V185-T250 WeakPolarHBondContact CA-O 3.36Å; L186-T250 PolarHBondContact N-O 3.34Å; T250-K281 CarbonylContact C-O 3.59Å; T250-K281 WeakPolarHBondContact CA-O 3.49Å; T250-K281 HydrophobicContact CG2-CB 4.06Å; T250-Y283 HydrophobicContact CG2-CD2 4.05Å
251	I	98.9	Very high	95.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.5	167.1	-61.7	170.4	0	0	0	107.5	L186 V188 V248 F269 A272 L276 K281 M282 Y283	L186-I251 HydrophobicContact CB-CG1 4.08Å; L186-I251 HydrophobicContact CD2-CD1 4.28Å; L186-I251 HydrophobicContact CD2-CG1 4.08Å; L186-I251 HydrophobicContact CG-CG1 4.43Å; L186-I251 HydrophobicContact CG-CG2 4.46Å; L186-I251 CarbonylContact O-C 3.59Å; L186-I251 WeakPolarHBondContact O-CA 3.49Å; V188-I251 HydrophobicContact CG2-CG2 3.68Å; V248-I251 HydrophobicContact CG2-CD1 4.4Å; V248-I251 HydrophobicContact CG2-CG1 3.69Å; I251-F269 HydrophobicContact CG2-CD2 4.08Å; I251-F269 HydrophobicContact CG2-CE2 3.74Å; I251-A272 HydrophobicContact CD1-CB 4.06Å; I251-A272 VanDerWaalsContact CD1-O 3.3Å; I251-A272 WeakPolarHBondContact CD1-O 3.29Å; I251-A272 HydrophobicContact CG2-CB 4.24Å; I251-L276 HydrophobicContact CD1-CB 3.79Å; I251-L276 HydrophobicContact CD1-CD1 4.09Å; I251-L276 HydrophobicContact CD1-CG 4.35Å; I251-L276 HydrophobicContact CG1-CB 4.49Å; I251-L276 HydrophobicContact CG1-CD1 3.92Å; I251-K281 PolarHBondContact N-O 3.38Å; I251-M282 HydrophobicContact CB-SD 3.74Å; I251-M282 HydrophobicContact CD1-SD 3.85Å; I251-M282 HydrophobicContact CG1-SD 4.27Å; I251-M282 HydrophobicContact CG2-SD 4.26Å; I251-M282 CarbonylContact O-C 3.54Å; I251-Y283 PolarHBondContact O-N 3.03Å
252	I	98.9	Very high	95.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.8	173.6	-168.6	164.5	0	0	0	109.4	Y169 V173 F180 V185 L186 D187 V188 L195 Y283	Y169-I252 HydrophobicContact CD1-CD1 4.33Å; Y169-I252 HydrophobicContact CD1-CG1 4.48Å; Y169-I252 HydrophobicContact CE1-CG1 4.44Å; V173-I252 HydrophobicContact CG2-CD1 3.6Å; F180-I252 HydrophobicContact CE1-CD1 4.5Å; V185-I252 HydrophobicContact CG1-CG2 3.83Å; L186-I252 PolarHBondContact O-N 2.81Å; D187-I252 WeakPolarHBondContact CA-O 3.25Å; D187-I252 HydrophobicContact CB-CG2 3.98Å; V188-I252 PolarHBondContact N-O 2.96Å; L195-I252 HydrophobicContact CB-CD1 4.16Å; L195-I252 HydrophobicContact CB-CG1 4.37Å; L195-I252 HydrophobicContact CB-CG2 4.4Å; L195-I252 HydrophobicContact CD1-CD1 4.49Å; L195-I252 HydrophobicContact CD1-CG1 4.11Å; I252-Y283 CarbonylContact C-O 3.57Å; I252-Y283 VanDerWaalsContact CA-O 3.32Å; I252-Y283 WeakPolarHBondContact CA-O 3.25Å
253	S	98.8	Very high	96	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	160.5	175.4	-171.5	0	0	0	0	110.2	Y169 V188 P255 Y283 P284	Y169-S253 VanDerWaalsContact CE1-O 3.22Å; Y169-S253 WeakPolarHBondContact CE1-O 3.16Å; Y169-S253 PolarHBondContact OH-O 3.46Å; V188-S253 WeakPolarHBondContact O-CB 3.43Å; V188-S253 PolarHBondContact O-OG 3.32Å; S253-P255 WeakPolarHBondContact O-CD 3.02Å; S253-Y283 PolarHBondContact N-O 2.94Å; S253-P284 WeakPolarHBondContact O-CD 3.48Å
254	E	98.4	Very high	96.5	Very high	22 Å²	22	15.6 Å²	15.6	10%	0.103	8%	0.08	C	C	.	.			trans	-114.1	86.5	160.6	-165.5	-70.3	105.4	0	0	108.3	R165 Y169 L195 M256 W412	R165-E254 IonicContact CZ-OE2 3.81Å; R165-E254 IonicContact NE-OE2 2.91Å; R165-E254 IonicContact NH1-OE2 3.44Å; R165-E254 PolarHBondContact NH1-OE2 2.83Å; R165-E254 VanDerWaalsContact NH2-CG 3.35Å; R165-E254 IonicContact NH2-OE2 2.74Å; R165-E254 PolarHBondContact NH2-OE2 3.48Å; Y169-E254 HydrophobicContact CE2-CB 4.26Å; Y169-E254 HydrophobicContact CE2-CG 3.84Å; Y169-E254 WeakPolarHBondContact OH-CA 3.35Å; L195-E254 HydrophobicContact CD1-CB 4.28Å; E254-M256 HydrophobicContact CG-CE 3.97Å; E254-M256 WeakPolarHBondContact OE1-CA 3.23Å; E254-M256 WeakPolarHBondContact OE1-CB 3.46Å; E254-M256 WeakPolarHBondContact OE1-CE 3.35Å; E254-M256 PolarHBondContact OE1-N 3.01Å; E254-W412 HydrophobicContact CG-CH2 4.46Å; E254-W412 HydrophobicContact CG-CZ2 4.25Å; E254-W412 WeakPolarHBondContact OE1-CZ2 3.16Å
255	P	98	Very high	97.3	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.013	9%	0.085	C	C	.	.			trans	-99.5	12.3	-175.8	40	-41	0	0	0	114.1	S253 M265 L266 F269	S253-P255 WeakPolarHBondContact O-CD 3.02Å; P255-M265 HydrophobicContact CB-CB 4.14Å; P255-M265 HydrophobicContact CB-CG 3.81Å; P255-M265 HydrophobicContact CB-SD 4.46Å; P255-L266 HydrophobicContact CB-CD2 3.89Å; P255-L266 HydrophobicContact CG-CD2 3.55Å; P255-F269 HydrophobicContact CB-CB 3.88Å; P255-F269 HydrophobicContact CB-CD1 4.48Å; P255-F269 HydrophobicContact CB-CG 4.28Å; P255-F269 HydrophobicContact CG-CB 4.07Å; P255-F269 HydrophobicContact CG-CD1 3.74Å; P255-F269 HydrophobicContact CG-CE1 4.28Å; P255-F269 HydrophobicContact CG-CG 3.92Å
256	M	98.3	Very high	97.8	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.025	7%	0.073	C	C	.	.			trans	-89.8	123.8	-170.4	-59.4	90.1	62.7	0	0	111.7	Y169 E254 L260 P284 F388 V390 L401 W412	Y169-M256 HydrophobicContact CE2-CE 4.1Å; Y169-M256 WeakPolarHBondContact OH-CE 3.37Å; E254-M256 HydrophobicContact CG-CE 3.97Å; E254-M256 WeakPolarHBondContact OE1-CA 3.23Å; E254-M256 WeakPolarHBondContact OE1-CB 3.46Å; E254-M256 WeakPolarHBondContact OE1-CE 3.35Å; E254-M256 PolarHBondContact OE1-N 3.01Å; M256-L260 HydrophobicContact CB-CD1 4.16Å; M256-L260 HydrophobicContact CG-CD1 3.53Å; M256-P284 HydrophobicContact SD-CG 4.2Å; M256-F388 HydrophobicContact CB-CE2 3.76Å; M256-F388 HydrophobicContact CB-CZ 3.71Å; M256-F388 HydrophobicContact CE-CE2 4.33Å; M256-F388 HydrophobicContact CG-CD2 4.45Å; M256-F388 HydrophobicContact CG-CE2 3.82Å; M256-F388 HydrophobicContact CG-CZ 4.3Å; M256-V390 HydrophobicContact CE-CG1 4.45Å; M256-V390 HydrophobicContact CE-CG2 3.92Å; M256-V390 HydrophobicContact CG-CG1 3.86Å; M256-V390 HydrophobicContact SD-CG1 3.99Å; M256-V390 HydrophobicContact SD-CG2 4.26Å; M256-L401 HydrophobicContact CE-CD2 4.38Å; M256-W412 HydrophobicContact CB-CZ2 4.31Å; M256-W412 HydrophobicContact CE-CH2 3.92Å; M256-W412 HydrophobicContact CE-CZ2 3.94Å; M256-W412 PolarHBondContact O-NE1 3.43Å
257	G	96.8	Very high	98	Very high	2 Å²	2	12.4 Å²	12.4	2%	0.021	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-99.3	-171.9	167.4	0	0	0	0	0	112.9	M259 L260 N262 F388	G257-M259 PolarHBondContact O-N 2.82Å; G257-L260 PolarHBondContact N-O 2.87Å; G257-L260 WeakPolarHBondContact O-CA 3.13Å; G257-L260 PolarHBondContact O-N 3.14Å; G257-N262 WeakPolarHBondContact CA-O 3.03Å; G257-F388 WeakPolarHBondContact O-CE1 3.43Å
258	Y	97	Very high	98	Very high	20 Å²	20	9.1 Å²	9.1	8%	0.078	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	139	166.3	-61.6	-55.8	0	0	0	111.4	L260 L261 N262 V337 W412 V415 F469	Y258-L260 PolarHBondContact O-N 3.37Å; Y258-L261 PolarHBondContact O-N 3.05Å; Y258-N262 VanDerWaalsContact O-CB 3.23Å; Y258-N262 WeakPolarHBondContact O-CB 3.26Å; Y258-N262 PolarHBondContact O-N 3.37Å; Y258-V337 HydrophobicContact CD1-CG1 4.08Å; Y258-V337 HydrophobicContact CD1-CG2 4.28Å; Y258-V337 HydrophobicContact CE1-CG1 3.71Å; Y258-V337 HydrophobicContact CE1-CG2 4.43Å; Y258-V337 HydrophobicContact CG-CG2 4.42Å; Y258-W412 WeakPolarHBondContact CD1-O 3.23Å; Y258-V415 HydrophobicContact CD1-CG2 4.46Å; Y258-F469 HydrophobicContact CE1-CE1 4.35Å; Y258-F469 HydrophobicContact CE2-CE1 4.14Å; Y258-F469 AromaticContact CE2-CZ 3.76Å; Y258-F469 HydrophobicContact CE2-CZ 3.76Å; Y258-F469 AromaticContact CZ-CE1 3.64Å; Y258-F469 AromaticContact CZ-CZ 3.74Å; Y258-F469 WeakPolarHBondContact OH-CE1 3.48Å; Y258-F469 WeakPolarHBondContact OH-CZ 3.23Å
259	M	98.4	Very high	98	Very high	3 Å²	3	9.1 Å²	9.1	2%	0.015	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	34.1	-173.4	-58.7	172.1	71.3	0	0	113	G257 L261 L289 F386 V415 F437 V447 L464	G257-M259 PolarHBondContact O-N 2.82Å; M259-L261 PolarHBondContact O-N 3.32Å; M259-L289 HydrophobicContact CB-CD1 4.3Å; M259-L289 WeakPolarHBondContact O-CD1 3.27Å; M259-F386 HydrophobicContact CE-CB 4.12Å; M259-F386 HydrophobicContact CE-CD1 3.4Å; M259-F386 HydrophobicContact CE-CD2 3.66Å; M259-F386 HydrophobicContact CE-CE1 3.6Å; M259-F386 HydrophobicContact CE-CE2 3.82Å; M259-F386 HydrophobicContact CE-CG 3.46Å; M259-F386 VanDerWaalsContact CE-CG 3.46Å; M259-F386 HydrophobicContact CE-CZ 3.81Å; M259-F386 HydrophobicContact CG-CB 3.96Å; M259-F386 HydrophobicContact CG-CG 4.35Å; M259-F386 HydrophobicContact SD-CG 4.46Å; M259-V415 HydrophobicContact CG-CB 3.61Å; M259-V415 HydrophobicContact CG-CG1 3.86Å; M259-V415 HydrophobicContact CG-CG2 3.75Å; M259-V415 HydrophobicContact SD-CB 4.18Å; M259-V415 HydrophobicContact SD-CG1 3.76Å; M259-F437 HydrophobicContact CE-CE1 3.45Å; M259-F437 VanDerWaalsContact CE-CE1 3.45Å; M259-F437 HydrophobicContact CE-CZ 3.46Å; M259-F437 VanDerWaalsContact CE-CZ 3.46Å; M259-F437 HydrophobicContact SD-CE1 4.37Å; M259-V447 HydrophobicContact CE-CG1 4.4Å; M259-L464 HydrophobicContact CG-CD1 4.35Å; M259-L464 HydrophobicContact SD-CD1 3.68Å; M259-L464 HydrophobicContact SD-CD2 4.35Å
260	L	98.6	Very high	98	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	B	Isolated β-bridge	trans	66.1	-36.9	-175.3	-177.1	58.9	0	0	0	114.8	M256 G257 Y258 L266 L289 I354 F388 V390	M256-L260 HydrophobicContact CB-CD1 4.16Å; M256-L260 HydrophobicContact CG-CD1 3.53Å; G257-L260 PolarHBondContact N-O 2.87Å; G257-L260 WeakPolarHBondContact O-CA 3.13Å; G257-L260 PolarHBondContact O-N 3.14Å; Y258-L260 PolarHBondContact O-N 3.37Å; L260-L266 HydrophobicContact CD1-CD1 4.43Å; L260-L266 HydrophobicContact CG-CD1 4.11Å; L260-L289 HydrophobicContact CB-CD1 4.39Å; L260-L289 HydrophobicContact CD2-CB 4.45Å; L260-I354 HydrophobicContact CD2-CD1 4.13Å; L260-F388 HydrophobicContact CB-CB 3.72Å; L260-F388 HydrophobicContact CB-CD1 4.15Å; L260-F388 HydrophobicContact CB-CD2 4.44Å; L260-F388 HydrophobicContact CB-CG 3.86Å; L260-F388 HydrophobicContact CD1-CB 4.48Å; L260-F388 HydrophobicContact CD1-CD2 3.96Å; L260-F388 HydrophobicContact CD1-CE2 4.45Å; L260-F388 HydrophobicContact CD1-CG 4.24Å; L260-F388 HydrophobicContact CD2-CB 4.45Å; L260-F388 HydrophobicContact CG-CB 4.43Å; L260-V390 HydrophobicContact CD1-CG1 4.01Å
261	L	98.3	Very high	97.9	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-26.7	-163.2	-61.6	173.1	0	0	0	114.1	Y258 M259 R264 L266 W352 I354 I367 F437 Y445	Y258-L261 PolarHBondContact O-N 3.05Å; M259-L261 PolarHBondContact O-N 3.32Å; L261-R264 PolarHBondContact O-N 3.17Å; L261-L266 HydrophobicContact CD2-CD1 3.8Å; L261-W352 HydrophobicContact CD2-CZ3 4.39Å; L261-I354 HydrophobicContact CD2-CD1 3.94Å; L261-I367 HydrophobicContact CD1-CD1 3.72Å; L261-I367 HydrophobicContact CD2-CD1 3.83Å; L261-I367 HydrophobicContact CG-CD1 4.43Å; L261-F437 HydrophobicContact CD1-CB 4.34Å; L261-F437 HydrophobicContact CD1-CD1 3.66Å; L261-F437 HydrophobicContact CD1-CD2 4.03Å; L261-F437 HydrophobicContact CD1-CE1 3.88Å; L261-F437 HydrophobicContact CD1-CE2 4.21Å; L261-F437 HydrophobicContact CD1-CG 3.76Å; L261-F437 HydrophobicContact CD1-CZ 4.15Å; L261-Y445 HydrophobicContact CB-CD2 3.96Å; L261-Y445 HydrophobicContact CB-CE2 3.69Å; L261-Y445 VanDerWaalsContact O-CE2 3.24Å; L261-Y445 WeakPolarHBondContact O-CE2 3.44Å
262	N	96.7	Very high	97.8	Very high	11 Å²	11	9.1 Å²	9.1	6%	0.059	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-53.8	155.5	-176	-167.5	40.7	0	0	0	111.3	G257 Y258 R264 S444 L464	G257-N262 WeakPolarHBondContact CA-O 3.03Å; Y258-N262 VanDerWaalsContact O-CB 3.23Å; Y258-N262 WeakPolarHBondContact O-CB 3.26Å; Y258-N262 PolarHBondContact O-N 3.37Å; N262-R264 PolarHBondContact O-N 3.49Å; N262-R264 VanDerWaalsContact O-N 3.14Å; N262-S444 WeakPolarHBondContact OD1-CB 3.23Å; N262-S444 PolarHBondContact OD1-OG 2.96Å; N262-L464 HydrophobicContact CB-CD2 3.74Å; N262-L464 HydrophobicContact CB-CG 3.96Å
263	E	95.4	Very high	97.8	Very high	40 Å²	40	11.8 Å²	11.8	19%	0.187	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	73.4	-12.9	-175	-54.7	178.3	-160.6	0	0	114.9	Y146 Y150 M265 L443	Y146-E263 HydrophobicContact CE2-CB 3.82Å; Y146-E263 HydrophobicContact CE2-CG 4.06Å; Y146-E263 WeakPolarHBondContact CE2-OE2 3.41Å; Y150-E263 VanDerWaalsContact OH-CD 3.31Å; Y150-E263 PolarHBondContact OH-OE1 3.33Å; Y150-E263 PolarHBondContact OH-OE2 3.25Å; E263-M265 PolarHBondContact O-N 2.99Å; E263-M265 VanDerWaalsContact O-N 3.08Å; E263-L443 CarbonylContact C-O 3.51Å; E263-L443 WeakPolarHBondContact CA-O 3.23Å; E263-L443 PolarHBondContact N-O 2.96Å; E263-L443 VanDerWaalsContact N-O 3.15Å
264	R	97.3	Very high	97.6	Very high	9 Å²	9	16.3 Å²	16.3	3%	0.034	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	54.4	28	176.1	-61.2	-178.1	62.1	-164.2	-2.4	113.1	R137 L261 N262 L266 E267 N440 S444 Y445	R137-R264 PolarHBondContact NH1-O 3.16Å; R137-R264 PolarHBondContact O-NH1 3.11Å; L261-R264 PolarHBondContact O-N 3.17Å; N262-R264 PolarHBondContact O-N 3.49Å; N262-R264 VanDerWaalsContact O-N 3.14Å; R264-L266 VanDerWaalsContact C-N 3.33Å; R264-E267 IonicContact CZ-OE1 3.16Å; R264-E267 VanDerWaalsContact CZ-OE1 3.25Å; R264-E267 IonicContact CZ-OE2 3.72Å; R264-E267 IonicContact NE-OE1 3.73Å; R264-E267 PolarHBondContact NE-OE1 3.48Å; R264-E267 IonicContact NE-OE2 3.25Å; R264-E267 IonicContact NH2-OE1 3.39Å; R264-E267 PolarHBondContact NH2-OE1 3.49Å; R264-E267 IonicContact NH2-OE2 3.91Å; R264-E267 PolarHBondContact NH2-OE2 2.91Å; R264-E267 PolarHBondContact O-N 3.18Å; R264-N440 PolarHBondContact NH1-O 3.07Å; R264-S444 WeakPolarHBondContact CD-O 3.38Å; R264-Y445 HydrophobicContact CG-CD2 4.27Å; R264-Y445 HydrophobicContact CG-CE2 3.62Å
265	M	97.6	Very high	97.6	Very high	29 Å²	29	16.2 Å²	16.2	14%	0.143	7%	0.074	C	C	.	.	H	α-helix	trans	-75.8	-23.7	178.7	-172.9	168.1	167.5	0	0	111.9	V188 P255 E263 E267 S268 F269	V188-M265 WeakPolarHBondContact O-CE 3.29Å; P255-M265 HydrophobicContact CB-CB 4.14Å; P255-M265 HydrophobicContact CB-CG 3.81Å; P255-M265 HydrophobicContact CB-SD 4.46Å; E263-M265 PolarHBondContact O-N 2.99Å; E263-M265 VanDerWaalsContact O-N 3.08Å; M265-E267 PolarHBondContact O-N 2.8Å; M265-S268 WeakPolarHBondContact O-CB 3.1Å; M265-S268 PolarHBondContact O-N 2.81Å; M265-F269 PolarHBondContact O-N 3.14Å
266	L	98.4	Very high	97.6	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-55.1	-33.1	171.7	-67	178.5	0	0	0	113.1	P255 L260 L261 R264 F269 V270 I354 F356 L364	P255-L266 HydrophobicContact CB-CD2 3.89Å; P255-L266 HydrophobicContact CG-CD2 3.55Å; L260-L266 HydrophobicContact CD1-CD1 4.43Å; L260-L266 HydrophobicContact CG-CD1 4.11Å; L261-L266 HydrophobicContact CD2-CD1 3.8Å; R264-L266 VanDerWaalsContact C-N 3.33Å; L266-F269 PolarHBondContact O-N 2.93Å; L266-V270 WeakPolarHBondContact O-CB 3.32Å; L266-V270 WeakPolarHBondContact O-CG2 3.38Å; L266-V270 PolarHBondContact O-N 3.44Å; L266-I354 HydrophobicContact CD1-CD1 4.15Å; L266-F356 HydrophobicContact CD1-CE1 4.23Å; L266-F356 HydrophobicContact CD2-CD1 4.46Å; L266-F356 HydrophobicContact CD2-CE1 3.6Å; L266-F356 HydrophobicContact CD2-CZ 3.68Å; L266-F356 HydrophobicContact CG-CE1 4.43Å; L266-L364 HydrophobicContact CB-CD1 3.87Å
267	E	98.1	Very high	97.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-65.4	-43.9	176.1	-65	169.9	-150.6	0	0	111.1	R137 R264 M265 V270 H271 L364 H365	R137-E267 WeakPolarHBondContact CD-OE2 3.4Å; R137-E267 IonicContact CZ-OE2 2.74Å; R137-E267 IonicContact NE-OE2 2.65Å; R137-E267 PolarHBondContact NE-OE2 2.64Å; R137-E267 IonicContact NH1-OE1 3.84Å; R137-E267 IonicContact NH1-OE2 3.58Å; R137-E267 PolarHBondContact NH1-OE2 2.93Å; R264-E267 IonicContact CZ-OE1 3.16Å; R264-E267 VanDerWaalsContact CZ-OE1 3.25Å; R264-E267 IonicContact CZ-OE2 3.72Å; R264-E267 IonicContact NE-OE1 3.73Å; R264-E267 PolarHBondContact NE-OE1 3.48Å; R264-E267 IonicContact NE-OE2 3.25Å; R264-E267 IonicContact NH2-OE1 3.39Å; R264-E267 PolarHBondContact NH2-OE1 3.49Å; R264-E267 IonicContact NH2-OE2 3.91Å; R264-E267 PolarHBondContact NH2-OE2 2.91Å; R264-E267 PolarHBondContact O-N 3.18Å; M265-E267 PolarHBondContact O-N 2.8Å; E267-V270 PolarHBondContact O-N 3.37Å; E267-H271 VanDerWaalsContact O-CB 3.25Å; E267-H271 WeakPolarHBondContact O-CB 3.34Å; E267-H271 PolarHBondContact O-N 3.35Å; E267-L364 HydrophobicContact CB-CD1 4.49Å; E267-L364 HydrophobicContact CG-CB 3.91Å; E267-L364 HydrophobicContact CG-CD1 3.77Å; E267-L364 HydrophobicContact CG-CG 4.5Å; E267-H365 IonicContact OE1-CD2 2.71Å; E267-H365 IonicContact OE2-CD2 2.79Å; E267-H365 IonicContact OE2-NE2 2.96Å
268	S	97.8	Very high	97.7	Very high	13 Å²	13	26.2 Å²	26.2	9%	0.091	13%	0.131	C	C	.	.	H	α-helix	trans	-64.8	-39.1	174.3	-62.8	0	0	0	0	111.9	R137 I239 E240 M265 H271 A272	R137-S268 PolarHBondContact NH2-OG 3.48Å; I239-S268 WeakPolarHBondContact CG2-O 3.34Å; E240-S268 WeakPolarHBondContact OE1-CB 3.43Å; E240-S268 PolarHBondContact OE1-OG 2.83Å; M265-S268 WeakPolarHBondContact O-CB 3.1Å; M265-S268 PolarHBondContact O-N 2.81Å; S268-H271 WeakPolarHBondContact O-CB 3.32Å; S268-H271 PolarHBondContact O-N 3.46Å; S268-A272 PolarHBondContact O-N 3.14Å
269	F	98.6	Very high	97.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-45.4	176.3	-180	-131.3	0	0	0	112.1	I251 P255 M265 L266 A272 M282 P284 F356	I251-F269 HydrophobicContact CG2-CD2 4.08Å; I251-F269 HydrophobicContact CG2-CE2 3.74Å; P255-F269 HydrophobicContact CB-CB 3.88Å; P255-F269 HydrophobicContact CB-CD1 4.48Å; P255-F269 HydrophobicContact CB-CG 4.28Å; P255-F269 HydrophobicContact CG-CB 4.07Å; P255-F269 HydrophobicContact CG-CD1 3.74Å; P255-F269 HydrophobicContact CG-CE1 4.28Å; P255-F269 HydrophobicContact CG-CG 3.92Å; M265-F269 PolarHBondContact O-N 3.14Å; L266-F269 PolarHBondContact O-N 2.93Å; F269-A272 VanDerWaalsContact O-CB 3.29Å; F269-A272 WeakPolarHBondContact O-CB 3.12Å; F269-A272 PolarHBondContact O-N 3.39Å; F269-M282 HydrophobicContact CD1-CE 4.01Å; F269-M282 HydrophobicContact CD2-CE 3.92Å; F269-M282 HydrophobicContact CE1-CE 3.66Å; F269-M282 HydrophobicContact CE2-CE 3.56Å; F269-M282 HydrophobicContact CE2-SD 4.46Å; F269-M282 HydrophobicContact CG-CE 4.15Å; F269-M282 HydrophobicContact CZ-CB 4.35Å; F269-M282 HydrophobicContact CZ-CE 3.43Å; F269-M282 VanDerWaalsContact CZ-CE 3.43Å; F269-M282 HydrophobicContact CZ-SD 4.44Å; F269-P284 HydrophobicContact CE1-CG 4.23Å; F269-P284 HydrophobicContact CZ-CG 4.5Å; F269-P284 WeakPolarHBondContact CZ-O 3.39Å; F269-F356 HydrophobicContact CD1-CB 4.37Å; F269-F356 HydrophobicContact CD1-CD1 4.41Å; F269-F356 HydrophobicContact CD1-CG 4.2Å; F269-F356 HydrophobicContact CE1-CB 3.86Å; F269-F356 HydrophobicContact CE1-CD1 4.47Å; F269-F356 AromaticContact CE1-CD2 3.88Å; F269-F356 HydrophobicContact CE1-CD2 3.88Å; F269-F356 AromaticContact CE1-CG 3.83Å; F269-F356 HydrophobicContact CE1-CG 3.83Å
270	V	98.3	Very high	97.6	Very high	3 Å²	3	30 Å²	30	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-64.5	-40.8	174.6	166.8	0	0	0	0	111.2	L266 E267 A272 R273 F356 C359 E361 L364	L266-V270 WeakPolarHBondContact O-CB 3.32Å; L266-V270 WeakPolarHBondContact O-CG2 3.38Å; L266-V270 PolarHBondContact O-N 3.44Å; E267-V270 PolarHBondContact O-N 3.37Å; V270-A272 PolarHBondContact O-N 3.07Å; V270-R273 WeakPolarHBondContact O-CB 3.41Å; V270-R273 WeakPolarHBondContact O-CG 3.46Å; V270-R273 PolarHBondContact O-N 3.21Å; V270-R273 VanDerWaalsContact O-N 3.17Å; V270-F356 HydrophobicContact CG2-CD1 4.45Å; V270-C359 WeakPolarHBondContact CG1-O 3.04Å; V270-C359 WeakPolarHBondContact CG2-SG 3.17Å; V270-E361 HydrophobicContact CB-CG 4.26Å; V270-E361 HydrophobicContact CG1-CB 4.49Å; V270-E361 HydrophobicContact CG1-CG 3.64Å; V270-L364 HydrophobicContact CG2-CD1 4.22Å
271	H	97.2	Very high	97.6	Very high	29 Å²	29	32.7 Å²	32.7	13%	0.134	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-36	176.3	-169.4	87.2	0	0	0	112.5	E267 S268 R273 K274 E361	E267-H271 VanDerWaalsContact O-CB 3.25Å; E267-H271 WeakPolarHBondContact O-CB 3.34Å; E267-H271 PolarHBondContact O-N 3.35Å; S268-H271 WeakPolarHBondContact O-CB 3.32Å; S268-H271 PolarHBondContact O-N 3.46Å; H271-R273 PolarHBondContact O-N 2.66Å; H271-R273 VanDerWaalsContact O-N 3.1Å; H271-K274 PolarHBondContact CD2-NZ 2.72Å; H271-K274 PolarHBondContact NE2-NZ 3.16Å; H271-K274 WeakPolarHBondContact O-CG 3.49Å; H271-K274 PolarHBondContact O-N 3.45Å; H271-E361 VanDerWaalsContact CA-OE1 3.3Å; H271-E361 WeakPolarHBondContact CA-OE1 3.47Å; H271-E361 HydrophobicContact CB-CG 4.45Å; H271-E361 WeakPolarHBondContact CB-OE1 3.46Å; H271-E361 IonicContact CE1-OE1 3.24Å; H271-E361 IonicContact CG-OE1 2.88Å; H271-E361 IonicContact CG-OE2 3.86Å; H271-E361 VanDerWaalsContact ND1-CD 3.3Å; H271-E361 IonicContact ND1-OE1 2.92Å; H271-E361 PolarHBondContact ND1-OE1 3.07Å; H271-E361 IonicContact ND1-OE2 2.66Å; H271-E361 PolarHBondContact ND1-OE2 3.23Å
272	A	98.1	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-59.3	-22.8	179.2	0	0	0	0	0	113.3	L186 V188 I239 I251 S268 F269 V270 K274 F275	L186-A272 HydrophobicContact CD2-CB 4.1Å; V188-A272 HydrophobicContact CG2-CB 3.56Å; I239-A272 HydrophobicContact CD1-CB 4.22Å; I239-A272 HydrophobicContact CG1-CB 3.72Å; I251-A272 HydrophobicContact CD1-CB 4.06Å; I251-A272 VanDerWaalsContact CD1-O 3.3Å; I251-A272 WeakPolarHBondContact CD1-O 3.29Å; I251-A272 HydrophobicContact CG2-CB 4.24Å; S268-A272 PolarHBondContact O-N 3.14Å; F269-A272 VanDerWaalsContact O-CB 3.29Å; F269-A272 WeakPolarHBondContact O-CB 3.12Å; F269-A272 PolarHBondContact O-N 3.39Å; V270-A272 PolarHBondContact O-N 3.07Å; A272-K274 PolarHBondContact O-N 2.84Å; A272-F275 WeakPolarHBondContact O-CB 3.45Å; A272-F275 PolarHBondContact O-N 2.9Å
273	R	97.6	Very high	97.7	Very high	57 Å²	57	32.1 Å²	32.1	22%	0.215	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-57.4	-18.5	176.6	-69.1	-163.5	-48.7	-112.3	-6.8	114.1	V270 H271 F275 L276 M282 F356 C359	V270-R273 WeakPolarHBondContact O-CB 3.41Å; V270-R273 WeakPolarHBondContact O-CG 3.46Å; V270-R273 PolarHBondContact O-N 3.21Å; V270-R273 VanDerWaalsContact O-N 3.17Å; H271-R273 PolarHBondContact O-N 2.66Å; H271-R273 VanDerWaalsContact O-N 3.1Å; R273-F275 PolarHBondContact O-N 3.33Å; R273-F275 VanDerWaalsContact O-N 3.09Å; R273-L276 HydrophobicContact CG-CD2 4.46Å; R273-L276 WeakPolarHBondContact O-CB 3.34Å; R273-L276 PolarHBondContact O-N 3.49Å; R273-M282 HydrophobicContact CG-CE 3.66Å; R273-M282 HydrophobicContact CG-CG 4.49Å; R273-M282 HydrophobicContact CG-SD 3.59Å; R273-M282 VanDerWaalsContact CG-SD 3.59Å; R273-F356 VanDerWaalsContact CD-O 3.31Å; R273-F356 WeakPolarHBondContact CD-O 3.49Å; R273-F356 PolarHBondContact NH1-O 3.38Å; R273-C359 VanDerWaalsContact CZ-O 3.26Å; R273-C359 PolarHBondContact NH1-O 2.96Å; R273-C359 PolarHBondContact NH2-O 2.54Å
274	K	95.7	Very high	97.9	Very high	95 Å²	95	30.2 Å²	30.2	41%	0.413	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-55.8	-22.8	169.9	74.9	-173.2	178.7	-174.1	0	113	I239 E240 H271 A272	I239-K274 PolarHBondContact O-NZ 2.96Å; E240-K274 PolarHBondContact O-NZ 2.82Å; H271-K274 PolarHBondContact CD2-NZ 2.72Å; H271-K274 PolarHBondContact NE2-NZ 3.16Å; H271-K274 WeakPolarHBondContact O-CG 3.49Å; H271-K274 PolarHBondContact O-N 3.45Å; A272-K274 PolarHBondContact O-N 2.84Å
275	F	97.2	Very high	98	Very high	19 Å²	19	30 Å²	30	8%	0.083	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-96.1	-6.5	175.4	-60.8	-62.9	0	0	0	113.8	L186 I239 I242 L244 L247 V248 A272 R273	L186-F275 HydrophobicContact CD2-CB 4.06Å; L186-F275 HydrophobicContact CD2-CD2 3.92Å; L186-F275 HydrophobicContact CD2-CG 4.38Å; I239-F275 HydrophobicContact CD1-CD2 4.06Å; I239-F275 HydrophobicContact CD1-CE2 3.79Å; I242-F275 HydrophobicContact CD1-CE2 4.35Å; I242-F275 HydrophobicContact CG1-CE2 4.2Å; I242-F275 HydrophobicContact CG1-CZ 4.26Å; L244-F275 HydrophobicContact CB-CD1 3.91Å; L244-F275 HydrophobicContact CB-CE1 3.92Å; L244-F275 HydrophobicContact CD1-CB 4.05Å; L244-F275 HydrophobicContact CD1-CD1 3.95Å; L244-F275 HydrophobicContact CD1-CD2 3.92Å; L244-F275 HydrophobicContact CD1-CE1 4.35Å; L244-F275 HydrophobicContact CD1-CE2 4.29Å; L244-F275 HydrophobicContact CD1-CG 3.72Å; L244-F275 HydrophobicContact CD1-CZ 4.5Å; L244-F275 HydrophobicContact CG-CD1 4.03Å; L244-F275 HydrophobicContact CG-CD2 4.4Å; L244-F275 HydrophobicContact CG-CE1 3.97Å; L244-F275 HydrophobicContact CG-CE2 4.32Å; L244-F275 HydrophobicContact CG-CG 4.25Å; L244-F275 HydrophobicContact CG-CZ 4.11Å; L247-F275 CarbonylContact C-O 3.49Å; L247-F275 VanDerWaalsContact CA-O 3.28Å; L247-F275 WeakPolarHBondContact CA-O 3.44Å; L247-F275 WeakPolarHBondContact CB-O 3.29Å; L247-F275 WeakPolarHBondContact CD2-O 3.3Å; V248-F275 WeakPolarHBondContact CG2-O 2.8Å; V248-F275 PolarHBondContact N-O 2.86Å; A272-F275 WeakPolarHBondContact O-CB 3.45Å; A272-F275 PolarHBondContact O-N 2.9Å; R273-F275 PolarHBondContact O-N 3.33Å; R273-F275 VanDerWaalsContact O-N 3.09Å
276	L	98.7	Very high	98	Very high	29 Å²	29	29.2 Å²	29.2	15%	0.152	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.4	-177	-167.6	64.3	0	0	0	110.9	V248 I251 R273 M282	V248-L276 HydrophobicContact CG2-CD1 4.29Å; I251-L276 HydrophobicContact CD1-CB 3.79Å; I251-L276 HydrophobicContact CD1-CD1 4.09Å; I251-L276 HydrophobicContact CD1-CG 4.35Å; I251-L276 HydrophobicContact CG1-CB 4.49Å; I251-L276 HydrophobicContact CG1-CD1 3.92Å; R273-L276 HydrophobicContact CG-CD2 4.46Å; R273-L276 WeakPolarHBondContact O-CB 3.34Å; R273-L276 PolarHBondContact O-N 3.49Å; L276-M282 HydrophobicContact CD2-CG 4.09Å; L276-M282 HydrophobicContact CD2-SD 3.99Å
277	K	98.6	Very high	98	Very high	60 Å²	60	29.2 Å²	29.2	26%	0.261	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	152.6	170.2	-69.7	173.5	-164.2	168.2	0	110.8	L247 V248 D249 G279 G280	L247-K277 HydrophobicContact CB-CG 3.58Å; L247-K277 HydrophobicContact CD1-CG 4.29Å; L247-K277 WeakPolarHBondContact O-CE 3.23Å; V248-K277 WeakPolarHBondContact O-CG 3.33Å; V248-K277 PolarHBondContact O-N 2.87Å; D249-K277 WeakPolarHBondContact OD1-CD 3.45Å; D249-K277 IonicContact OD1-NZ 2.72Å; D249-K277 PolarHBondContact OD1-NZ 2.88Å; D249-K277 IonicContact OD2-NZ 3.32Å; D249-K277 PolarHBondContact OD2-NZ 2.75Å; K277-G279 PolarHBondContact O-N 2.89Å; K277-G280 PolarHBondContact O-N 3.24Å
278	P	97.5	Very high	98.1	Very high	130 Å²	130	29.2 Å²	29.2	84%	0.844	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-54	127.3	168.2	-24	34	0	0	0	111	G280	P278-G280 VanDerWaalsContact C-N 3.28Å; P278-G280 PolarHBondContact O-N 3.14Å
279	G	95.9	Very high	98.1	Very high	84 Å²	84	28.6 Å²	28.6	87%	0.866	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	77.2	7.4	-175.6	0	0	0	0	0	115.1	K277	K277-G279 PolarHBondContact O-N 2.89Å
280	G	98.3	Very high	98.1	Very high	20 Å²	20	29.5 Å²	29.5	21%	0.206	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	166.1	172.8	0	0	0	0	0	113	D249 K277 P278	D249-G280 CarbonylContact O-C 3.58Å; D249-G280 WeakPolarHBondContact O-CA 3.14Å; K277-G280 PolarHBondContact O-N 3.24Å; P278-G280 VanDerWaalsContact C-N 3.28Å; P278-G280 PolarHBondContact O-N 3.14Å
281	K	98.6	Very high	98.2	Very high	55 Å²	55	29.4 Å²	29.4	24%	0.239	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	145.5	-174.7	-64.7	-69.9	-165.2	162.7	0	112.3	D179 D249 T250 I251 Y283 F393 S395	D179-K281 HydrophobicContact CB-CG 4.37Å; D179-K281 WeakPolarHBondContact OD1-CE 3.39Å; D249-K281 PolarHBondContact O-N 3.2Å; T250-K281 CarbonylContact C-O 3.59Å; T250-K281 WeakPolarHBondContact CA-O 3.49Å; T250-K281 HydrophobicContact CG2-CB 4.06Å; I251-K281 PolarHBondContact N-O 3.38Å; K281-Y283 HydrophobicContact CB-CD2 4.15Å; K281-Y283 HydrophobicContact CB-CE2 3.96Å; K281-F393 PolarHBondContact NZ-O 3.25Å; K281-S395 VanDerWaalsContact CE-OG 3.23Å; K281-S395 WeakPolarHBondContact CE-OG 3.3Å; K281-S395 PolarHBondContact NZ-OG 3.35Å
282	M	98.8	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.7	170	-66.5	-70.7	-75.2	0	0	108.7	I251 F269 R273 L276 P284 S285 F356 T357	I251-M282 HydrophobicContact CB-SD 3.74Å; I251-M282 HydrophobicContact CD1-SD 3.85Å; I251-M282 HydrophobicContact CG1-SD 4.27Å; I251-M282 HydrophobicContact CG2-SD 4.26Å; I251-M282 CarbonylContact O-C 3.54Å; F269-M282 HydrophobicContact CD1-CE 4.01Å; F269-M282 HydrophobicContact CD2-CE 3.92Å; F269-M282 HydrophobicContact CE1-CE 3.66Å; F269-M282 HydrophobicContact CE2-CE 3.56Å; F269-M282 HydrophobicContact CE2-SD 4.46Å; F269-M282 HydrophobicContact CG-CE 4.15Å; F269-M282 HydrophobicContact CZ-CB 4.35Å; F269-M282 HydrophobicContact CZ-CE 3.43Å; F269-M282 VanDerWaalsContact CZ-CE 3.43Å; F269-M282 HydrophobicContact CZ-SD 4.44Å; R273-M282 HydrophobicContact CG-CE 3.66Å; R273-M282 HydrophobicContact CG-CG 4.49Å; R273-M282 HydrophobicContact CG-SD 3.59Å; R273-M282 VanDerWaalsContact CG-SD 3.59Å; L276-M282 HydrophobicContact CD2-CG 4.09Å; L276-M282 HydrophobicContact CD2-SD 3.99Å; M282-P284 VanDerWaalsContact C-C 3.48Å; M282-P284 CarbonylContact C-O 3.49Å; M282-P284 WeakPolarHBondContact CB-O 3.3Å; M282-P284 CarbonylContact O-C 3.58Å; M282-S285 WeakPolarHBondContact O-CA 3.5Å; M282-S285 PolarHBondContact O-N 3.15Å; M282-S285 VanDerWaalsContact O-N 3.16Å; M282-S285 PolarHBondContact O-OG 3.19Å; M282-F356 HydrophobicContact CE-CB 4.33Å; M282-T357 HydrophobicContact CB-CG2 4.17Å; M282-T357 HydrophobicContact CG-CG2 4.15Å
283	Y	98.8	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	104.3	177.8	-87.2	-121	0	0	0	109.2	A172 N176 D179 F180 T250 I251 I252 S253 K281 F392 G394	A172-Y283 HydrophobicContact CB-CD1 4.43Å; A172-Y283 HydrophobicContact CB-CE1 4.27Å; N176-Y283 WeakPolarHBondContact CB-OH 3.15Å; D179-Y283 HydrophobicContact CB-CE2 4.47Å; D179-Y283 PolarHBondContact OD2-OH 3.08Å; F180-Y283 HydrophobicContact CE2-CD1 4.37Å; F180-Y283 AromaticContact CE2-CE1 3.88Å; F180-Y283 HydrophobicContact CE2-CE1 3.88Å; F180-Y283 HydrophobicContact CE2-CE2 4.48Å; F180-Y283 AromaticContact CE2-CZ 3.94Å; F180-Y283 AromaticContact CZ-CD1 3.95Å; F180-Y283 HydrophobicContact CZ-CD1 3.95Å; F180-Y283 HydrophobicContact CZ-CD2 4.44Å; F180-Y283 AromaticContact CZ-CE1 3.94Å; F180-Y283 HydrophobicContact CZ-CE1 3.94Å; F180-Y283 HydrophobicContact CZ-CE2 4.44Å; F180-Y283 HydrophobicContact CZ-CG 4.22Å; T250-Y283 HydrophobicContact CG2-CD2 4.05Å; I251-Y283 PolarHBondContact O-N 3.03Å; I252-Y283 CarbonylContact C-O 3.57Å; I252-Y283 VanDerWaalsContact CA-O 3.32Å; I252-Y283 WeakPolarHBondContact CA-O 3.25Å; S253-Y283 PolarHBondContact N-O 2.94Å; K281-Y283 HydrophobicContact CB-CD2 4.15Å; K281-Y283 HydrophobicContact CB-CE2 3.96Å; Y283-F392 HydrophobicContact CD1-CB 3.96Å; Y283-F392 AromaticContact CD1-CD1 3.46Å; Y283-F392 HydrophobicContact CD1-CD1 3.46Å; Y283-F392 VanDerWaalsContact CD1-CD1 3.46Å; Y283-F392 HydrophobicContact CD1-CE1 4.37Å; Y283-F392 HydrophobicContact CD1-CG 4.09Å; Y283-F392 HydrophobicContact CE1-CB 3.91Å; Y283-F392 HydrophobicContact CE1-CD1 4.26Å; Y283-F392 HydrophobicContact CE1-CG 4.46Å; Y283-F392 AromaticContact CG-CD1 3.88Å; Y283-F392 HydrophobicContact CG-CD1 3.88Å; Y283-G394 WeakPolarHBondContact OH-CA 3.35Å
284	P	98.9	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.155	C	C	.	.	S	Bend	cis	-70.5	160.2	0.4	29.9	-35.7	0	0	0	114	S253 M256 F269 M282 F356 V390 F392	S253-P284 WeakPolarHBondContact O-CD 3.48Å; M256-P284 HydrophobicContact SD-CG 4.2Å; F269-P284 HydrophobicContact CE1-CG 4.23Å; F269-P284 HydrophobicContact CZ-CG 4.5Å; F269-P284 WeakPolarHBondContact CZ-O 3.39Å; M282-P284 VanDerWaalsContact C-C 3.48Å; M282-P284 CarbonylContact C-O 3.49Å; M282-P284 WeakPolarHBondContact CB-O 3.3Å; M282-P284 CarbonylContact O-C 3.58Å; P284-F356 HydrophobicContact CB-CD2 4.37Å; P284-F356 HydrophobicContact CB-CE2 4.28Å; P284-F356 HydrophobicContact CG-CD2 4.06Å; P284-F356 HydrophobicContact CG-CE2 3.84Å; P284-V390 HydrophobicContact CB-CB 3.7Å; P284-V390 HydrophobicContact CB-CG1 4.38Å; P284-V390 HydrophobicContact CB-CG2 4.04Å; P284-V390 HydrophobicContact CG-CB 4.13Å; P284-V390 HydrophobicContact CG-CG1 4.31Å; P284-V390 HydrophobicContact CG-CG2 4.38Å; P284-F392 HydrophobicContact CB-CD1 4.14Å; P284-F392 HydrophobicContact CB-CE1 3.9Å; P284-F392 HydrophobicContact CB-CZ 4.33Å
285	S	98.8	Very high	98.4	Very high	4 Å²	4	22.6 Å²	22.6	3%	0.028	15%	0.149	C	C	.	.			trans	-91.3	-40	179.6	-50.4	0	0	0	0	112.3	M282 F356 A391 F393	M282-S285 WeakPolarHBondContact O-CA 3.5Å; M282-S285 PolarHBondContact O-N 3.15Å; M282-S285 VanDerWaalsContact O-N 3.16Å; M282-S285 PolarHBondContact O-OG 3.19Å; S285-F356 WeakPolarHBondContact O-CB 3.45Å; S285-F356 PolarHBondContact O-N 2.88Å; S285-A391 PolarHBondContact N-O 2.74Å; S285-F393 PolarHBondContact OG-N 3.12Å
286	I	98.8	Very high	98.4	Very high	14 Å²	14	23 Å²	23	7%	0.072	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.7	174.5	66.1	161.1	0	0	0	111	T353 I354 D355 V390 A391 F393 W400	I286-T353 HydrophobicContact CB-CG2 4.29Å; I286-T353 HydrophobicContact CD1-CG2 4.2Å; I286-I354 CarbonylContact C-O 3.14Å; I286-I354 WeakPolarHBondContact CA-O 3.4Å; I286-I354 WeakPolarHBondContact CB-O 3.23Å; I286-D355 HydrophobicContact CG2-CB 4.33Å; I286-V390 VanDerWaalsContact O-CA 3.29Å; I286-V390 WeakPolarHBondContact O-CA 3.27Å; I286-V390 WeakPolarHBondContact O-CB 3.4Å; I286-A391 HydrophobicContact CD1-CB 4.1Å; I286-A391 HydrophobicContact CG1-CB 3.61Å; I286-A391 PolarHBondContact N-O 3.18Å; I286-A391 PolarHBondContact O-N 2.91Å; I286-F393 HydrophobicContact CB-CE2 4.45Å; I286-F393 HydrophobicContact CD1-CE1 4.27Å; I286-F393 HydrophobicContact CD1-CE2 4.18Å; I286-F393 HydrophobicContact CD1-CZ 3.51Å; I286-F393 HydrophobicContact CG1-CE1 4.29Å; I286-F393 HydrophobicContact CG1-CE2 4.08Å; I286-F393 HydrophobicContact CG1-CZ 3.69Å; I286-F393 HydrophobicContact CG2-CD2 4.25Å; I286-F393 HydrophobicContact CG2-CE2 3.5Å; I286-F393 HydrophobicContact CG2-CZ 3.99Å; I286-W400 HydrophobicContact CD1-CH2 3.73Å; I286-W400 HydrophobicContact CD1-CZ2 4.39Å; I286-W400 HydrophobicContact CD1-CZ3 4.38Å
287	G	98.8	Very high	98.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125	167.9	0	0	0	0	0	111.1	T353 I354 F356 E389	G287-T353 CarbonylContact O-C 3.59Å; G287-T353 WeakPolarHBondContact O-CA 3.4Å; G287-I354 PolarHBondContact N-O 3.43Å; G287-I354 PolarHBondContact O-N 3.37Å; G287-F356 VanDerWaalsContact N-CE2 3.32Å; G287-E389 CarbonylContact C-O 3.57Å; G287-E389 WeakPolarHBondContact CA-O 3.41Å
288	D	98.8	Very high	98.1	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114.4	176.1	-76.2	-15.6	0	0	0	109.1	K351 W352 T353 F388 E389 W400	D288-K351 HydrophobicContact CB-CD 4.1Å; D288-K351 HydrophobicContact CB-CG 4.02Å; D288-K351 IonicContact OD1-NZ 3.93Å; D288-K351 VanDerWaalsContact OD2-CD 3.3Å; D288-K351 WeakPolarHBondContact OD2-CD 3.2Å; D288-K351 WeakPolarHBondContact OD2-CE 3.32Å; D288-K351 IonicContact OD2-NZ 3.24Å; D288-K351 PolarHBondContact OD2-NZ 3.03Å; D288-W352 CarbonylContact C-O 3.6Å; D288-W352 WeakPolarHBondContact CA-O 3.38Å; D288-T353 WeakPolarHBondContact OD1-CA 3.32Å; D288-T353 WeakPolarHBondContact OD1-CB 3.28Å; D288-T353 WeakPolarHBondContact OD1-CG2 3.47Å; D288-T353 PolarHBondContact OD1-OG1 3.37Å; D288-F388 CarbonylContact O-C 3.6Å; D288-F388 WeakPolarHBondContact O-CA 3.49Å; D288-F388 WeakPolarHBondContact O-CB 3.22Å; D288-E389 HydrophobicContact CB-CB 4.45Å; D288-E389 PolarHBondContact N-O 2.52Å; D288-E389 PolarHBondContact O-N 2.8Å; D288-W400 WeakPolarHBondContact OD2-CH2 3.5Å
289	L	98.8	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120	166.7	-177	66.3	0	0	0	108.7	M259 L260 W352 I369 F386 F388 F437	M259-L289 HydrophobicContact CB-CD1 4.3Å; M259-L289 WeakPolarHBondContact O-CD1 3.27Å; L260-L289 HydrophobicContact CB-CD1 4.39Å; L260-L289 HydrophobicContact CD2-CB 4.45Å; L289-W352 HydrophobicContact CB-CE3 4.02Å; L289-W352 HydrophobicContact CD2-CE3 4.35Å; L289-W352 PolarHBondContact N-O 3.17Å; L289-W352 PolarHBondContact O-N 3.1Å; L289-I369 HydrophobicContact CD2-CD1 4.09Å; L289-F386 HydrophobicContact CD1-CD1 4.39Å; L289-F386 HydrophobicContact CD2-CD1 4.48Å; L289-F388 HydrophobicContact CD1-CB 4.49Å; L289-F437 HydrophobicContact CD2-CE2 3.91Å; L289-F437 HydrophobicContact CD2-CZ 3.8Å
290	H	98.9	Very high	98.1	Very high	20 Å²	20	18.5 Å²	18.5	9%	0.093	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.7	176	-73.9	-108.4	0	0	0	110.7	S349 H350 F386 W387 E389	H290-S349 PolarHBondContact ND1-OG 2.88Å; H290-S349 VanDerWaalsContact ND1-OG 3.07Å; H290-H350 VanDerWaalsContact CA-O 3.29Å; H290-H350 WeakPolarHBondContact CA-O 3.45Å; H290-F386 VanDerWaalsContact O-CA 3.28Å; H290-F386 WeakPolarHBondContact O-CA 3.41Å; H290-W387 HydrophobicContact CB-CD2 3.79Å; H290-W387 HydrophobicContact CB-CG 4Å; H290-W387 HydrophobicContact CB-CZ2 3.77Å; H290-W387 AromaticContact CG-NE1 3.52Å; H290-W387 PolarHBondContact N-O 2.86Å; H290-W387 AromaticContact ND1-NE1 3.98Å; H290-W387 PolarHBondContact O-N 2.75Å; H290-E389 IonicContact NE2-OE2 2.75Å
291	F	98.8	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.7	167.5	60.1	-83.8	0	0	0	113.8	S349 H350 I369 F371 F373 L384 A385 F386 V435	F291-S349 CarbonylContact O-C 3.57Å; F291-S349 VanDerWaalsContact O-CA 3.23Å; F291-S349 WeakPolarHBondContact O-CA 3.41Å; F291-H350 HydrophobicContact CD2-CB 4.45Å; F291-H350 HydrophobicContact CE1-CB 4.19Å; F291-H350 AromaticContact CE1-CD2 3.72Å; F291-H350 HydrophobicContact CE2-CB 4.03Å; F291-H350 HydrophobicContact CZ-CB 3.89Å; F291-H350 AromaticContact CZ-CD2 3.57Å; F291-H350 AromaticContact CZ-CG 3.92Å; F291-H350 PolarHBondContact N-O 3.32Å; F291-H350 PolarHBondContact O-N 3.3Å; F291-I369 HydrophobicContact CE1-CG2 3.9Å; F291-I369 HydrophobicContact CZ-CG2 3.94Å; F291-F371 HydrophobicContact CE2-CB 3.89Å; F291-F371 AromaticContact CE2-CD1 3.45Å; F291-F371 HydrophobicContact CE2-CD1 3.45Å; F291-F371 VanDerWaalsContact CE2-CD1 3.45Å; F291-F371 HydrophobicContact CE2-CE1 4.12Å; F291-F371 AromaticContact CE2-CG 3.76Å; F291-F371 HydrophobicContact CE2-CG 3.76Å; F291-F371 HydrophobicContact CZ-CB 3.99Å; F291-F371 AromaticContact CZ-CD1 3.84Å; F291-F371 HydrophobicContact CZ-CD1 3.84Å; F291-F371 HydrophobicContact CZ-CG 4.22Å; F291-F373 HydrophobicContact CD2-CE2 4.09Å; F291-F373 AromaticContact CD2-CZ 3.7Å; F291-F373 HydrophobicContact CD2-CZ 3.7Å; F291-F373 AromaticContact CE2-CE2 3.9Å; F291-F373 HydrophobicContact CE2-CE2 3.9Å; F291-F373 AromaticContact CE2-CZ 3.72Å; F291-F373 HydrophobicContact CE2-CZ 3.72Å; F291-F373 WeakPolarHBondContact O-CE1 3.42Å; F291-F373 VanDerWaalsContact O-CZ 3.29Å; F291-F373 WeakPolarHBondContact O-CZ 3.15Å; F291-L384 HydrophobicContact CD2-CD1 4.15Å; F291-L384 HydrophobicContact CD2-CD2 4.5Å; F291-L384 HydrophobicContact CE2-CD1 4.45Å; F291-A385 CarbonylContact C-O 3.56Å; F291-A385 WeakPolarHBondContact CA-O 3.46Å; F291-A385 VanDerWaalsContact CB-O 3.31Å; F291-A385 WeakPolarHBondContact CB-O 3.46Å; F291-F386 HydrophobicContact CB-CD1 3.39Å; F291-F386 HydrophobicContact CB-CD2 4.44Å; F291-F386 HydrophobicContact CB-CE1 3.54Å; F291-F386 HydrophobicContact CB-CG 3.86Å; F291-F386 HydrophobicContact CB-CZ 4.15Å; F291-F386 HydrophobicContact CD1-CD1 4.17Å; F291-F386 AromaticContact CD1-CE1 3.93Å; F291-F386 HydrophobicContact CD1-CE1 3.93Å; F291-F386 HydrophobicContact CD2-CE1 4.32Å; F291-F386 AromaticContact CG-CD1 3.97Å; F291-F386 HydrophobicContact CG-CD1 3.97Å; F291-F386 AromaticContact CG-CE1 3.67Å; F291-F386 HydrophobicContact CG-CE1 3.67Å; F291-F386 HydrophobicContact CG-CZ 4.34Å; F291-V435 HydrophobicContact CD2-CG2 4.35Å; F291-V435 HydrophobicContact CE2-CG2 3.92Å; F291-V435 HydrophobicContact CZ-CG2 4.06Å
292	S	98.8	Very high	98	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	146.2	179.2	-178.6	0	0	0	0	111.3	S347 A385	S292-S347 PolarHBondContact OG-O 2.79Å; S292-A385 PolarHBondContact N-O 2.82Å; S292-A385 PolarHBondContact O-N 3Å
293	P	98.6	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	138.6	169.8	25.8	-34.7	0	0	0	110.8	M346 F373 L375 I381 G383 L384	P293-M346 HydrophobicContact CB-CB 4.45Å; P293-M346 HydrophobicContact CG-CB 4.31Å; P293-M346 PolarHBondContact O-N 2.78Å; P293-F373 HydrophobicContact CG-CB 4.37Å; P293-F373 HydrophobicContact CG-CD2 4.08Å; P293-F373 HydrophobicContact CG-CG 4.11Å; P293-L375 HydrophobicContact CG-CD2 4.03Å; P293-I381 HydrophobicContact CB-CG1 4.49Å; P293-I381 HydrophobicContact CB-CG2 3.82Å; P293-G383 WeakPolarHBondContact CA-O 3.38Å; P293-L384 HydrophobicContact CB-CD2 4.24Å
294	Y	98.3	Very high	98	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.8	178.5	75.4	-91.4	0	0	0	112.9	D296 L299 I344 H382 G383 A385 R416 Q418	Y294-D296 HydrophobicContact CD2-CB 3.78Å; Y294-D296 HydrophobicContact CE2-CB 3.79Å; Y294-L299 HydrophobicContact CE2-CD2 4.46Å; Y294-I344 CarbonylContact C-O 3.15Å; Y294-I344 WeakPolarHBondContact CA-O 3.46Å; Y294-I344 HydrophobicContact CD2-CD1 3.97Å; Y294-I344 HydrophobicContact CG-CD1 4.16Å; Y294-H382 HydrophobicContact CD2-CB 4.32Å; Y294-H382 HydrophobicContact CE2-CB 3.82Å; Y294-H382 PolarHBondContact O-N 2.79Å; Y294-G383 WeakPolarHBondContact CD1-O 3.49Å; Y294-G383 VanDerWaalsContact CE1-CA 3.41Å; Y294-G383 PolarHBondContact N-O 2.96Å; Y294-A385 HydrophobicContact CD1-CB 3.78Å; Y294-A385 HydrophobicContact CE1-CB 4.5Å; Y294-A385 HydrophobicContact CG-CB 4.36Å; Y294-R416 HydrophobicContact CE1-CB 3.88Å; Y294-R416 HydrophobicContact CE1-CG 4.15Å; Y294-Q418 VanDerWaalsContact OH-CG 3.31Å; Y294-Q418 WeakPolarHBondContact OH-CG 3.32Å
295	S	97.7	Very high	97.9	Very high	39 Å²	39	27 Å²	27	27%	0.273	15%	0.153	S	C	.	.			trans	-117.9	106.7	171.2	-159.1	0	0	0	0	110.7	I344 Y380	S295-I344 PolarHBondContact N-O 2.98Å; S295-I344 WeakPolarHBondContact O-CB 3.2Å; S295-Y380 WeakPolarHBondContact CB-O 3.34Å; S295-Y380 PolarHBondContact OG-O 3.33Å
296	D	97.1	Very high	97.9	Very high	28 Å²	28	29.5 Å²	29.5	15%	0.15	16%	0.163	C	C	.	.			trans	-140.4	90.2	173.1	-171.1	-19.1	0	0	0	109.9	Y294 C298 L299 Y300 I344 H382 R416	Y294-D296 HydrophobicContact CD2-CB 3.78Å; Y294-D296 HydrophobicContact CE2-CB 3.79Å; D296-C298 VanDerWaalsContact C-N 3.28Å; D296-C298 PolarHBondContact O-N 2.69Å; D296-C298 WeakPolarHBondContact OD1-CB 3.49Å; D296-C298 PolarHBondContact OD1-N 3.09Å; D296-C298 VanDerWaalsContact OD1-N 3.13Å; D296-L299 HydrophobicContact CB-CB 4.23Å; D296-L299 PolarHBondContact OD1-N 2.9Å; D296-Y300 PolarHBondContact O-N 2.85Å; D296-I344 HydrophobicContact CB-CD1 4.39Å; D296-H382 PolarHBondContact N-ND1 2.91Å; D296-H382 VanDerWaalsContact N-ND1 3.1Å; D296-R416 IonicContact OD2-CZ 2.8Å; D296-R416 IonicContact OD2-NH1 3.56Å; D296-R416 PolarHBondContact OD2-NH1 3Å; D296-R416 IonicContact OD2-NH2 3.52Å
297	E	95.7	Very high	97.8	Very high	85 Å²	85	29 Å²	29	40%	0.397	16%	0.16	S	C	.	.	H	α-helix	trans	-62.7	-35.3	178.3	-173.2	72.3	-139.4	0	0	111.6	L299 Y300 L301 H382	E297-L299 PolarHBondContact O-N 3.2Å; E297-Y300 PolarHBondContact O-N 2.98Å; E297-L301 HydrophobicContact CG-CD1 3.82Å; E297-L301 HydrophobicContact CG-CG 4.14Å; E297-L301 WeakPolarHBondContact O-CB 3.48Å; E297-L301 VanDerWaalsContact O-CG 3.29Å; E297-L301 WeakPolarHBondContact O-CG 3.48Å; E297-L301 PolarHBondContact O-N 3.04Å; E297-H382 IonicContact OE2-CE1 2.74Å; E297-H382 PolarHBondContact OE2-CE1 2.87Å; E297-H382 IonicContact OE2-NE2 3.03Å; E297-H382 PolarHBondContact OE2-NE2 3.12Å; E297-H382 VanDerWaalsContact OE2-NE2 3.16Å
298	C	94.9	Very high	97.7	Very high	84 Å²	84	32.7 Å²	32.7	57%	0.568	18%	0.181	S	C	*	.	H	α-helix	trans	-63.6	-45.5	-178.2	-68.7	0	0	0	0	111.2	D296 E302	D296-C298 VanDerWaalsContact C-N 3.28Å; D296-C298 PolarHBondContact O-N 2.69Å; D296-C298 WeakPolarHBondContact OD1-CB 3.49Å; D296-C298 PolarHBondContact OD1-N 3.09Å; D296-C298 VanDerWaalsContact OD1-N 3.13Å; C298-E302 WeakPolarHBondContact O-CB 3.43Å; C298-E302 PolarHBondContact O-N 2.65Å
299	L	96.7	Very high	97.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-44	175.5	176.4	61.6	0	0	0	111.8	Y294 D296 E297 E302 T303 V336 R416 Q418	Y294-L299 HydrophobicContact CE2-CD2 4.46Å; D296-L299 HydrophobicContact CB-CB 4.23Å; D296-L299 PolarHBondContact OD1-N 2.9Å; E297-L299 PolarHBondContact O-N 3.2Å; L299-E302 WeakPolarHBondContact O-CB 3.28Å; L299-E302 PolarHBondContact O-N 3.18Å; L299-T303 PolarHBondContact O-N 3Å; L299-T303 VanDerWaalsContact O-N 3.12Å; L299-T303 PolarHBondContact O-OG1 3.08Å; L299-V336 HydrophobicContact CD1-CG1 4.11Å; L299-V336 HydrophobicContact CD1-CG2 4.19Å; L299-V336 HydrophobicContact CD2-CB 4.41Å; L299-V336 HydrophobicContact CD2-CG1 4.36Å; L299-V336 HydrophobicContact CD2-CG2 4.26Å; L299-R416 HydrophobicContact CD2-CB 4.41Å; L299-Q418 HydrophobicContact CD2-CG 4.37Å
300	Y	98.1	Very high	97.7	Very high	38 Å²	38	40.3 Å²	40.3	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-47.2	179.9	-176.5	-98	0	0	0	111.6	D296 E297 E302 T303 C304 F332 H382 R420 P422	D296-Y300 PolarHBondContact O-N 2.85Å; E297-Y300 PolarHBondContact O-N 2.98Å; Y300-E302 PolarHBondContact O-N 2.91Å; Y300-T303 WeakPolarHBondContact O-CB 3.38Å; Y300-T303 PolarHBondContact O-N 3.33Å; Y300-C304 WeakPolarHBondContact CE1-SG 3.38Å; Y300-C304 PolarHBondContact O-N 3.25Å; Y300-C304 PolarHBondContact O-SG 3.43Å; Y300-C304 VanDerWaalsContact O-SG 3.42Å; Y300-F332 AromaticContact CD2-CE1 3.71Å; Y300-F332 HydrophobicContact CD2-CE1 3.71Å; Y300-F332 HydrophobicContact CD2-CZ 4.07Å; Y300-F332 AromaticContact CE2-CE1 3.41Å; Y300-F332 HydrophobicContact CE2-CE1 3.41Å; Y300-F332 VanDerWaalsContact CE2-CE1 3.41Å; Y300-F332 AromaticContact CE2-CZ 3.55Å; Y300-F332 HydrophobicContact CE2-CZ 3.55Å; Y300-H382 VanDerWaalsContact CB-CD2 3.49Å; Y300-H382 WeakPolarHBondContact CB-CD2 3.49Å; Y300-H382 AromaticContact CG-CD2 3.63Å; Y300-R420 PolarHBondContact OH-O 2.77Å; Y300-P422 HydrophobicContact CD1-CG 4.14Å; Y300-P422 HydrophobicContact CD2-CG 3.83Å; Y300-P422 HydrophobicContact CE1-CG 3.83Å; Y300-P422 HydrophobicContact CE2-CG 3.48Å; Y300-P422 VanDerWaalsContact CE2-CG 3.48Å; Y300-P422 HydrophobicContact CG-CG 4.15Å; Y300-P422 VanDerWaalsContact CZ-CG 3.5Å; Y300-P422 VanDerWaalsContact OH-CD 3.27Å; Y300-P422 WeakPolarHBondContact OH-CD 3.39Å
301	L	97.6	Very high	97.5	Very high	87 Å²	87	43.9 Å²	43.9	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-66.5	-33.4	177.6	-69	178.1	0	0	0	113.1	E297 T303 C304 S305	E297-L301 HydrophobicContact CG-CD1 3.82Å; E297-L301 HydrophobicContact CG-CG 4.14Å; E297-L301 WeakPolarHBondContact O-CB 3.48Å; E297-L301 VanDerWaalsContact O-CG 3.29Å; E297-L301 WeakPolarHBondContact O-CG 3.48Å; E297-L301 PolarHBondContact O-N 3.04Å; L301-T303 VanDerWaalsContact C-N 3.31Å; L301-C304 PolarHBondContact O-N 3.39Å; L301-S305 WeakPolarHBondContact O-CB 3.26Å; L301-S305 PolarHBondContact O-N 2.95Å; L301-S305 PolarHBondContact O-OG 3.3Å
302	E	97.5	Very high	97.5	Very high	57 Å²	57	46.8 Å²	46.8	27%	0.266	25%	0.245	S	C	.	.	H	α-helix	trans	-58.9	-46.7	171.7	-171.1	-166.3	139	0	0	110.4	C298 L299 Y300 S305 K306 R470	C298-E302 WeakPolarHBondContact O-CB 3.43Å; C298-E302 PolarHBondContact O-N 2.65Å; L299-E302 WeakPolarHBondContact O-CB 3.28Å; L299-E302 PolarHBondContact O-N 3.18Å; Y300-E302 PolarHBondContact O-N 2.91Å; E302-S305 WeakPolarHBondContact O-CB 3.37Å; E302-S305 PolarHBondContact O-N 2.8Å; E302-K306 PolarHBondContact O-N 3.24Å; E302-K306 VanDerWaalsContact O-N 3.11Å; E302-K306 WeakPolarHBondContact OE1-CE 3.48Å; E302-K306 IonicContact OE1-NZ 3.22Å; E302-K306 PolarHBondContact OE1-NZ 3.41Å; E302-R470 IonicContact OE2-CZ 2.69Å; E302-R470 IonicContact OE2-NE 2.73Å; E302-R470 PolarHBondContact OE2-NE 3.44Å; E302-R470 IonicContact OE2-NH2 3.97Å; E302-R470 PolarHBondContact OE2-NH2 2.58Å
303	T	98	Very high	97.3	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-47.7	177.5	-52.3	0	0	0	0	110.9	L299 Y300 L301 S305 K306 V307 F332 Q418	L299-T303 PolarHBondContact O-N 3Å; L299-T303 VanDerWaalsContact O-N 3.12Å; L299-T303 PolarHBondContact O-OG1 3.08Å; Y300-T303 WeakPolarHBondContact O-CB 3.38Å; Y300-T303 PolarHBondContact O-N 3.33Å; L301-T303 VanDerWaalsContact C-N 3.31Å; T303-S305 PolarHBondContact O-N 3.19Å; T303-K306 PolarHBondContact O-N 3.03Å; T303-V307 WeakPolarHBondContact O-CG2 3.48Å; T303-V307 PolarHBondContact O-N 3.43Å; T303-F332 HydrophobicContact CG2-CD1 4.05Å; T303-F332 HydrophobicContact CG2-CD2 4.02Å; T303-F332 HydrophobicContact CG2-CE1 3.89Å; T303-F332 HydrophobicContact CG2-CE2 3.88Å; T303-F332 HydrophobicContact CG2-CG 4.11Å; T303-F332 HydrophobicContact CG2-CZ 3.81Å; T303-Q418 PolarHBondContact OG1-NE2 3.17Å; T303-Q418 PolarHBondContact OG1-OE1 3.27Å
304	C	98	Very high	97.2	Very high	26 Å²	26	56 Å²	56	18%	0.176	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-36.9	174.4	-69.3	0	0	0	0	112.7	Y300 L301 V307 N308	Y300-C304 WeakPolarHBondContact CE1-SG 3.38Å; Y300-C304 PolarHBondContact O-N 3.25Å; Y300-C304 PolarHBondContact O-SG 3.43Å; Y300-C304 VanDerWaalsContact O-SG 3.42Å; L301-C304 PolarHBondContact O-N 3.39Å; C304-V307 PolarHBondContact O-N 2.88Å; C304-N308 WeakPolarHBondContact O-CB 3.48Å; C304-N308 PolarHBondContact O-N 3.01Å; C304-N308 PolarHBondContact O-ND2 3.04Å
305	S	97.8	Very high	97.1	Very high	76 Å²	76	59.5 Å²	59.5	53%	0.531	32%	0.317	S	S	.	.	H	α-helix	trans	-65.8	-41.9	178.4	-61.9	0	0	0	0	111.7	L301 E302 T303 V307 N308 F309	L301-S305 WeakPolarHBondContact O-CB 3.26Å; L301-S305 PolarHBondContact O-N 2.95Å; L301-S305 PolarHBondContact O-OG 3.3Å; E302-S305 WeakPolarHBondContact O-CB 3.37Å; E302-S305 PolarHBondContact O-N 2.8Å; T303-S305 PolarHBondContact O-N 3.19Å; S305-V307 VanDerWaalsContact C-N 3.33Å; S305-V307 PolarHBondContact O-N 3.28Å; S305-N308 PolarHBondContact O-N 3.36Å; S305-F309 PolarHBondContact O-N 3.46Å
306	K	97.8	Very high	97	Very high	58 Å²	58	65.5 Å²	65.5	25%	0.252	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-41.1	172.9	-66.9	173.3	-172.2	163.5	0	111.7	E302 T303 F309 Y331 F468	E302-K306 PolarHBondContact O-N 3.24Å; E302-K306 VanDerWaalsContact O-N 3.11Å; E302-K306 WeakPolarHBondContact OE1-CE 3.48Å; E302-K306 IonicContact OE1-NZ 3.22Å; E302-K306 PolarHBondContact OE1-NZ 3.41Å; T303-K306 PolarHBondContact O-N 3.03Å; K306-F309 WeakPolarHBondContact O-CB 3.4Å; K306-F309 PolarHBondContact O-N 2.89Å; K306-Y331 HydrophobicContact CB-CD1 4.17Å; K306-Y331 HydrophobicContact CB-CD2 4.14Å; K306-Y331 HydrophobicContact CB-CE1 3.92Å; K306-Y331 HydrophobicContact CB-CE2 3.88Å; K306-Y331 HydrophobicContact CB-CG 4.28Å; K306-Y331 HydrophobicContact CD-CD1 4.17Å; K306-Y331 HydrophobicContact CD-CE1 4.02Å; K306-Y331 HydrophobicContact CG-CE1 4.45Å; K306-F468 VanDerWaalsContact NZ-CE1 3.25Å
307	V	97.7	Very high	97	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.012	36%	0.364	C	S	.	.	H	α-helix	trans	-64.1	-41	174.4	175.4	0	0	0	0	111.5	T303 C304 S305 F309 W310 R324 Y331 F332	T303-V307 WeakPolarHBondContact O-CG2 3.48Å; T303-V307 PolarHBondContact O-N 3.43Å; C304-V307 PolarHBondContact O-N 2.88Å; S305-V307 VanDerWaalsContact C-N 3.33Å; S305-V307 PolarHBondContact O-N 3.28Å; V307-F309 PolarHBondContact O-N 3.2Å; V307-W310 WeakPolarHBondContact O-CB 3.41Å; V307-W310 PolarHBondContact O-N 3.06Å; V307-R324 HydrophobicContact CG1-CG 4Å; V307-Y331 HydrophobicContact CG2-CD2 3.74Å; V307-Y331 HydrophobicContact CG2-CG 4.33Å; V307-F332 HydrophobicContact CG2-CE2 4.3Å
308	N	97.1	Very high	97.1	Very high	79 Å²	79	68.1 Å²	68.1	42%	0.422	37%	0.371	S	S	.	.	H	α-helix	trans	-66.9	-19.4	-176.7	-78.6	-19.9	0	0	0	113.8	C304 S305 W310 N311	C304-N308 WeakPolarHBondContact O-CB 3.48Å; C304-N308 PolarHBondContact O-N 3.01Å; C304-N308 PolarHBondContact O-ND2 3.04Å; S305-N308 PolarHBondContact O-N 3.36Å; N308-W310 PolarHBondContact O-N 3.39Å; N308-N311 WeakPolarHBondContact O-CB 3.45Å; N308-N311 PolarHBondContact O-N 3.04Å
309	F	97.6	Very high	97.2	Very high	91 Å²	91	69.6 Å²	69.6	40%	0.399	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-39.3	166.7	172.8	-96	0	0	0	111.4	S305 K306 V307 N311 Q312 F315 L320	S305-F309 PolarHBondContact O-N 3.46Å; K306-F309 WeakPolarHBondContact O-CB 3.4Å; K306-F309 PolarHBondContact O-N 2.89Å; V307-F309 PolarHBondContact O-N 3.2Å; F309-N311 PolarHBondContact O-N 3.45Å; F309-Q312 WeakPolarHBondContact O-CG 3.29Å; F309-Q312 PolarHBondContact O-NE2 3.03Å; F309-F315 HydrophobicContact CE2-CE2 4.09Å; F309-F315 HydrophobicContact CZ-CE2 4.06Å; F309-F315 HydrophobicContact CZ-CZ 4.13Å; F309-L320 HydrophobicContact CE1-CD1 4.07Å; F309-L320 HydrophobicContact CZ-CD1 4.3Å
310	W	98.1	Very high	97.3	Very high	69 Å²	69	70.7 Å²	70.7	26%	0.261	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-15.9	179.8	-63.2	91.6	0	0	0	112.6	V307 N308 Q312 L320 C321 L323 R324 A327	V307-W310 WeakPolarHBondContact O-CB 3.41Å; V307-W310 PolarHBondContact O-N 3.06Å; N308-W310 PolarHBondContact O-N 3.39Å; W310-Q312 PolarHBondContact O-N 3.32Å; W310-L320 HydrophobicContact CE3-CB 4.25Å; W310-L320 CarbonylContact O-C 3.58Å; W310-C321 WeakPolarHBondContact O-CA 3.43Å; W310-C321 PolarHBondContact O-N 3.43Å; W310-L323 HydrophobicContact CE3-CB 3.83Å; W310-L323 HydrophobicContact CE3-CD1 4.21Å; W310-L323 HydrophobicContact CZ3-CB 4.18Å; W310-L323 HydrophobicContact CZ3-CD1 3.72Å; W310-R324 HydrophobicContact CB-CB 4.23Å; W310-A327 HydrophobicContact CB-CB 4.34Å; W310-A327 HydrophobicContact CD2-CB 4.15Å; W310-A327 HydrophobicContact CG-CB 3.65Å
311	N	96.5	Very high	97.2	Very high	95 Å²	95	70.4 Å²	70.4	51%	0.508	38%	0.376	S	S	.	.			trans	-80.5	49.3	-178.7	-162.1	40.6	0	0	0	113	N308 F309 R324	N308-N311 WeakPolarHBondContact O-CB 3.45Å; N308-N311 PolarHBondContact O-N 3.04Å; F309-N311 PolarHBondContact O-N 3.45Å; N311-R324 HydrophobicContact CB-CG 4.48Å
312	Q	97	Very high	97.2	Very high	62 Å²	62	70.9 Å²	70.9	29%	0.29	38%	0.383	S	S	.	.			trans	-116.5	128.1	-179.3	-66.6	-178.3	69.7	0	0	110.6	F309 W310 F315 L320 C321	F309-Q312 WeakPolarHBondContact O-CG 3.29Å; F309-Q312 PolarHBondContact O-NE2 3.03Å; W310-Q312 PolarHBondContact O-N 3.32Å; Q312-F315 HydrophobicContact CB-CB 4.32Å; Q312-L320 PolarHBondContact O-N 2.64Å; Q312-C321 PolarHBondContact O-N 2.94Å
313	D	96.3	Very high	97.2	Very high	107 Å²	107	71.9 Å²	71.9	57%	0.572	39%	0.39	S	S	*	.	S	Bend	trans	-82.9	-15.9	175.4	-82.4	-51.6	0	0	0	113.3	K319	D313-K319 WeakPolarHBondContact OD1-CE 3.44Å; D313-K319 IonicContact OD1-NZ 3.83Å; D313-K319 PolarHBondContact OD1-NZ 3.22Å
314	S	96	Very high	97.1	Very high	87 Å²	87	75.7 Å²	75.7	61%	0.608	40%	0.403	S	S	*	.			trans	-152	65.3	-176.9	-168.3	0	0	0	0	112.5	H316	S314-H316 PolarHBondContact O-N 3.08Å
315	F	95.9	Very high	97.1	Very high	72 Å²	72	79.1 Å²	79.1	32%	0.316	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-80.7	106.4	168.7	-179.6	-104.2	0	0	0	108.9	F309 Q312 G317 I318 L320	F309-F315 HydrophobicContact CE2-CE2 4.09Å; F309-F315 HydrophobicContact CZ-CE2 4.06Å; F309-F315 HydrophobicContact CZ-CZ 4.13Å; Q312-F315 HydrophobicContact CB-CB 4.32Å; F315-G317 PolarHBondContact O-N 2.91Å; F315-I318 PolarHBondContact N-O 2.76Å; F315-I318 WeakPolarHBondContact O-CB 3.45Å; F315-I318 PolarHBondContact O-N 2.76Å; F315-L320 HydrophobicContact CB-CD1 3.49Å; F315-L320 VanDerWaalsContact CB-CD1 3.49Å; F315-L320 HydrophobicContact CB-CD2 4.5Å; F315-L320 HydrophobicContact CB-CG 3.67Å; F315-L320 HydrophobicContact CD1-CD1 3.64Å; F315-L320 HydrophobicContact CD1-CD2 4.39Å; F315-L320 HydrophobicContact CD1-CG 4.24Å; F315-L320 HydrophobicContact CD2-CD1 4.29Å; F315-L320 HydrophobicContact CE1-CD1 4.41Å; F315-L320 HydrophobicContact CG-CD1 3.55Å; F315-L320 HydrophobicContact CG-CG 4.2Å
316	H	96.4	Very high	97.1	Very high	166 Å²	166	80.7 Å²	80.7	77%	0.769	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	37.6	-170.2	-61.9	-86.7	0	0	0	113.2	S314 I318	S314-H316 PolarHBondContact O-N 3.08Å; H316-I318 VanDerWaalsContact C-N 3.32Å
317	G	96.3	Very high	97.1	Very high	63 Å²	63	78.3 Å²	78.3	65%	0.649	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	5.7	-177.2	0	0	0	0	0	115.2	F315	F315-G317 PolarHBondContact O-N 2.91Å
318	I	97.5	Very high	97	Very high	105 Å²	105	78.7 Å²	78.7	54%	0.538	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-110.9	135	-179	-55.2	172.6	0	0	0	110	F315 H316 L320	F315-I318 PolarHBondContact N-O 2.76Å; F315-I318 WeakPolarHBondContact O-CB 3.45Å; F315-I318 PolarHBondContact O-N 2.76Å; H316-I318 VanDerWaalsContact C-N 3.32Å; I318-L320 HydrophobicContact CG2-CD2 4.19Å; I318-L320 PolarHBondContact O-N 2.65Å
319	K	97.2	Very high	97	Very high	114 Å²	114	81.3 Å²	81.3	50%	0.496	42%	0.417	S	S	.	.			trans	-83.7	102.1	177.8	-177.8	162.8	179	137.5	0	110.9	D313 C321	D313-K319 WeakPolarHBondContact OD1-CE 3.44Å; D313-K319 IonicContact OD1-NZ 3.83Å; D313-K319 PolarHBondContact OD1-NZ 3.22Å; K319-C321 WeakPolarHBondContact CE-SG 3.4Å
320	L	98	Very high	97	Very high	24 Å²	24	82.9 Å²	82.9	13%	0.126	43%	0.426	C	S	.	.			trans	-84.1	-21	-179.8	-60.4	-172.3	0	0	0	113.6	F309 W310 Q312 F315 I318 T322 L323	F309-L320 HydrophobicContact CE1-CD1 4.07Å; F309-L320 HydrophobicContact CZ-CD1 4.3Å; W310-L320 HydrophobicContact CE3-CB 4.25Å; W310-L320 CarbonylContact O-C 3.58Å; Q312-L320 PolarHBondContact O-N 2.64Å; F315-L320 HydrophobicContact CB-CD1 3.49Å; F315-L320 VanDerWaalsContact CB-CD1 3.49Å; F315-L320 HydrophobicContact CB-CD2 4.5Å; F315-L320 HydrophobicContact CB-CG 3.67Å; F315-L320 HydrophobicContact CD1-CD1 3.64Å; F315-L320 HydrophobicContact CD1-CD2 4.39Å; F315-L320 HydrophobicContact CD1-CG 4.24Å; F315-L320 HydrophobicContact CD2-CD1 4.29Å; F315-L320 HydrophobicContact CE1-CD1 4.41Å; F315-L320 HydrophobicContact CG-CD1 3.55Å; F315-L320 HydrophobicContact CG-CG 4.2Å; I318-L320 HydrophobicContact CG2-CD2 4.19Å; I318-L320 PolarHBondContact O-N 2.65Å; L320-T322 PolarHBondContact O-N 2.88Å; L320-L323 PolarHBondContact O-N 2.92Å
321	C	97.1	Very high	97	Very high	32 Å²	32	82.7 Å²	82.7	22%	0.216	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-63.1	-13.2	-170.5	82.1	0	0	0	0	114.9	W310 Q312 K319 L323 R324	W310-C321 WeakPolarHBondContact O-CA 3.43Å; W310-C321 PolarHBondContact O-N 3.43Å; Q312-C321 PolarHBondContact O-N 2.94Å; K319-C321 WeakPolarHBondContact CE-SG 3.4Å; C321-L323 PolarHBondContact O-N 3.06Å; C321-R324 WeakPolarHBondContact O-CB 3.45Å; C321-R324 PolarHBondContact O-N 2.82Å
322	T	96.6	Very high	97.1	Very high	97 Å²	97	78.4 Å²	78.4	60%	0.595	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-64.7	-19.8	170.8	53.7	0	0	0	0	113.3	L320 Q326	L320-T322 PolarHBondContact O-N 2.88Å; T322-Q326 PolarHBondContact O-OE1 2.87Å
323	L	97.8	Very high	97.2	Very high	79 Å²	79	75.9 Å²	75.9	41%	0.414	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-101.7	1.6	177.4	-65	177.8	0	0	0	113.7	W310 L320 C321 E325 Q326 A327	W310-L323 HydrophobicContact CE3-CB 3.83Å; W310-L323 HydrophobicContact CE3-CD1 4.21Å; W310-L323 HydrophobicContact CZ3-CB 4.18Å; W310-L323 HydrophobicContact CZ3-CD1 3.72Å; L320-L323 PolarHBondContact O-N 2.92Å; C321-L323 PolarHBondContact O-N 3.06Å; L323-E325 VanDerWaalsContact C-N 3.32Å; L323-E325 PolarHBondContact O-N 2.92Å; L323-Q326 PolarHBondContact O-N 3.01Å; L323-Q326 PolarHBondContact O-OE1 2.85Å; L323-A327 WeakPolarHBondContact O-CB 3.29Å; L323-A327 PolarHBondContact O-N 2.68Å
324	R	97.3	Very high	97.3	Very high	85 Å²	85	72.1 Å²	72.1	32%	0.321	37%	0.372	S	S	.	.	H	α-helix	trans	-59.6	-40.1	-175.6	-175.8	-168.1	168.6	-77.3	-1	112.7	V307 W310 N311 C321 S328	V307-R324 HydrophobicContact CG1-CG 4Å; W310-R324 HydrophobicContact CB-CB 4.23Å; N311-R324 HydrophobicContact CB-CG 4.48Å; C321-R324 WeakPolarHBondContact O-CB 3.45Å; C321-R324 PolarHBondContact O-N 2.82Å; R324-S328 WeakPolarHBondContact O-CB 3.44Å; R324-S328 PolarHBondContact O-N 3.03Å
325	E	96.8	Very high	97.4	Very high	99 Å²	99	68 Å²	68	46%	0.463	34%	0.343	S	S	.	.	H	α-helix	trans	-70.5	-39.9	-178.2	-179	57.4	-162	0	0	111.8	L323 S328 K329 R420	L323-E325 VanDerWaalsContact C-N 3.32Å; L323-E325 PolarHBondContact O-N 2.92Å; E325-S328 WeakPolarHBondContact O-CB 3.23Å; E325-S328 PolarHBondContact O-N 2.97Å; E325-K329 PolarHBondContact O-N 2.89Å; E325-R420 VanDerWaalsContact CD-NH2 3.29Å; E325-R420 IonicContact OE1-CZ 2.87Å; E325-R420 VanDerWaalsContact OE1-CZ 3.24Å; E325-R420 IonicContact OE1-NH1 2.68Å; E325-R420 PolarHBondContact OE1-NH1 3.41Å; E325-R420 IonicContact OE1-NH2 2.85Å; E325-R420 PolarHBondContact OE1-NH2 2.91Å; E325-R420 IonicContact OE2-NH2 3.81Å; E325-R420 PolarHBondContact OE2-NH2 2.86Å
326	Q	97.5	Very high	97.5	Very high	109 Å²	109	64.6 Å²	64.6	51%	0.509	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-46.4	174.6	-64.5	85.9	-24.4	0	0	110.4	T322 L323 S328 K329 E330	T322-Q326 PolarHBondContact O-OE1 2.87Å; L323-Q326 PolarHBondContact O-N 3.01Å; L323-Q326 PolarHBondContact O-OE1 2.85Å; Q326-S328 VanDerWaalsContact C-N 3.32Å; Q326-S328 PolarHBondContact O-N 3.2Å; Q326-K329 PolarHBondContact O-N 3.3Å; Q326-E330 WeakPolarHBondContact O-CB 3.35Å; Q326-E330 PolarHBondContact O-N 2.77Å
327	A	97.5	Very high	97.6	Very high	7 Å²	7	56.8 Å²	56.8	6%	0.058	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-39.4	174.4	0	0	0	0	0	112.1	W310 L323 E330 Y331	W310-A327 HydrophobicContact CB-CB 4.34Å; W310-A327 HydrophobicContact CD2-CB 4.15Å; W310-A327 HydrophobicContact CG-CB 3.65Å; L323-A327 WeakPolarHBondContact O-CB 3.29Å; L323-A327 PolarHBondContact O-N 2.68Å; A327-E330 PolarHBondContact O-N 2.93Å; A327-Y331 HydrophobicContact CB-CD2 4.37Å; A327-Y331 HydrophobicContact CB-CE2 4.34Å; A327-Y331 WeakPolarHBondContact O-CD2 3.49Å; A327-Y331 PolarHBondContact O-N 3.33Å
328	S	97.3	Very high	97.7	Very high	11 Å²	11	53.9 Å²	53.9	8%	0.077	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-49.4	173.6	-179.7	0	0	0	0	111.4	R324 E325 Q326 E330 F332 R420	R324-S328 WeakPolarHBondContact O-CB 3.44Å; R324-S328 PolarHBondContact O-N 3.03Å; E325-S328 WeakPolarHBondContact O-CB 3.23Å; E325-S328 PolarHBondContact O-N 2.97Å; Q326-S328 VanDerWaalsContact C-N 3.32Å; Q326-S328 PolarHBondContact O-N 3.2Å; S328-E330 VanDerWaalsContact C-N 3.29Å; S328-E330 PolarHBondContact O-N 2.79Å; S328-F332 WeakPolarHBondContact O-CB 3.31Å; S328-F332 VanDerWaalsContact O-CD2 3.32Å; S328-F332 WeakPolarHBondContact O-CD2 3.31Å; S328-F332 PolarHBondContact O-N 3.46Å; S328-R420 PolarHBondContact OG-NH2 2.95Å
329	K	97	Very high	97.7	Very high	134 Å²	134	50 Å²	50	58%	0.583	24%	0.243	S	C	*	.	H	α-helix	trans	-60.6	-40.4	177.1	-173.9	178.1	177.9	-178.8	0	111.8	E325 Q326 G333	E325-K329 PolarHBondContact O-N 2.89Å; Q326-K329 PolarHBondContact O-N 3.3Å; K329-G333 WeakPolarHBondContact O-CA 3.43Å; K329-G333 PolarHBondContact O-N 3.45Å
330	E	97.4	Very high	97.7	Very high	124 Å²	124	45 Å²	45	58%	0.579	22%	0.221	S	C	*	.	H	α-helix	trans	-65.6	-55.4	179.7	-170.2	173.4	123.1	0	0	111.8	Q326 A327 S328 F332 G333 Q334	Q326-E330 WeakPolarHBondContact O-CB 3.35Å; Q326-E330 PolarHBondContact O-N 2.77Å; A327-E330 PolarHBondContact O-N 2.93Å; S328-E330 VanDerWaalsContact C-N 3.29Å; S328-E330 PolarHBondContact O-N 2.79Å; E330-F332 PolarHBondContact O-N 3.06Å; E330-G333 WeakPolarHBondContact O-CA 3.46Å; E330-G333 PolarHBondContact O-N 3.23Å; E330-G333 VanDerWaalsContact O-N 3.09Å; E330-Q334 WeakPolarHBondContact O-CG 3.26Å; E330-Q334 PolarHBondContact O-N 2.99Å
331	Y	98.2	Very high	97.7	Very high	64 Å²	64	46.1 Å²	46.1	25%	0.251	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-43.1	-178.1	-75.1	-61	0	0	0	113	K306 V307 A327 G333 Q334	K306-Y331 HydrophobicContact CB-CD1 4.17Å; K306-Y331 HydrophobicContact CB-CD2 4.14Å; K306-Y331 HydrophobicContact CB-CE1 3.92Å; K306-Y331 HydrophobicContact CB-CE2 3.88Å; K306-Y331 HydrophobicContact CB-CG 4.28Å; K306-Y331 HydrophobicContact CD-CD1 4.17Å; K306-Y331 HydrophobicContact CD-CE1 4.02Å; K306-Y331 HydrophobicContact CG-CE1 4.45Å; V307-Y331 HydrophobicContact CG2-CD2 3.74Å; V307-Y331 HydrophobicContact CG2-CG 4.33Å; A327-Y331 HydrophobicContact CB-CD2 4.37Å; A327-Y331 HydrophobicContact CB-CE2 4.34Å; A327-Y331 WeakPolarHBondContact O-CD2 3.49Å; A327-Y331 PolarHBondContact O-N 3.33Å; Y331-G333 PolarHBondContact O-N 2.87Å; Y331-Q334 PolarHBondContact O-N 2.83Å
332	F	98.3	Very high	97.6	Very high	5 Å²	5	47.5 Å²	47.5	2%	0.022	23%	0.234	C	C	.	.	H	α-helix	trans	-72.2	-20.1	175.5	-79.3	-79.5	0	0	0	112.5	Y300 T303 V307 S328 E330 Q334 Q418 R420 N460	Y300-F332 AromaticContact CD2-CE1 3.71Å; Y300-F332 HydrophobicContact CD2-CE1 3.71Å; Y300-F332 HydrophobicContact CD2-CZ 4.07Å; Y300-F332 AromaticContact CE2-CE1 3.41Å; Y300-F332 HydrophobicContact CE2-CE1 3.41Å; Y300-F332 VanDerWaalsContact CE2-CE1 3.41Å; Y300-F332 AromaticContact CE2-CZ 3.55Å; Y300-F332 HydrophobicContact CE2-CZ 3.55Å; T303-F332 HydrophobicContact CG2-CD1 4.05Å; T303-F332 HydrophobicContact CG2-CD2 4.02Å; T303-F332 HydrophobicContact CG2-CE1 3.89Å; T303-F332 HydrophobicContact CG2-CE2 3.88Å; T303-F332 HydrophobicContact CG2-CG 4.11Å; T303-F332 HydrophobicContact CG2-CZ 3.81Å; V307-F332 HydrophobicContact CG2-CE2 4.3Å; S328-F332 WeakPolarHBondContact O-CB 3.31Å; S328-F332 VanDerWaalsContact O-CD2 3.32Å; S328-F332 WeakPolarHBondContact O-CD2 3.31Å; S328-F332 PolarHBondContact O-N 3.46Å; E330-F332 PolarHBondContact O-N 3.06Å; F332-Q334 PolarHBondContact O-N 2.86Å; F332-Q418 HydrophobicContact CD1-CB 3.84Å; F332-Q418 HydrophobicContact CE1-CB 4.21Å; F332-R420 HydrophobicContact CB-CG 4.33Å; F332-N460 PolarHBondContact O-ND2 2.89Å
333	G	98.3	Very high	97.5	Very high	9 Å²	9	43.1 Å²	43.1	9%	0.093	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.4	174.6	0	0	0	0	0	114.1	K329 E330 Y331 P335 L462 D463	K329-G333 WeakPolarHBondContact O-CA 3.43Å; K329-G333 PolarHBondContact O-N 3.45Å; E330-G333 WeakPolarHBondContact O-CA 3.46Å; E330-G333 PolarHBondContact O-N 3.23Å; E330-G333 VanDerWaalsContact O-N 3.09Å; Y331-G333 PolarHBondContact O-N 2.87Å; G333-P335 WeakPolarHBondContact O-CD 3.45Å; G333-L462 CarbonylContact O-C 3.38Å; G333-L462 VanDerWaalsContact O-CA 3.26Å; G333-L462 WeakPolarHBondContact O-CA 3.3Å; G333-D463 PolarHBondContact O-N 2.78Å
334	Q	98.6	Very high	97.5	Very high	28 Å²	28	40 Å²	40	13%	0.131	19%	0.191	C	C	.	.	S	Bend	trans	-91.2	117.4	176	-59	-173.4	-68.1	0	0	110.7	E330 Y331 F332 V336 N466 F468	E330-Q334 WeakPolarHBondContact O-CG 3.26Å; E330-Q334 PolarHBondContact O-N 2.99Å; Y331-Q334 PolarHBondContact O-N 2.83Å; F332-Q334 PolarHBondContact O-N 2.86Å; Q334-V336 PolarHBondContact O-N 3.46Å; Q334-N466 WeakPolarHBondContact CG-O 3.29Å; Q334-N466 PolarHBondContact NE2-ND2 3.14Å; Q334-F468 HydrophobicContact CB-CB 4.04Å
335	P	98.7	Very high	97.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-61.5	134.8	165.5	-20.7	33.6	0	0	0	110.2	G333 V415 L462 D463 L464 P467 F468	G333-P335 WeakPolarHBondContact O-CD 3.45Å; P335-V415 HydrophobicContact CB-CG1 3.52Å; P335-L462 HydrophobicContact CB-CD2 4.48Å; P335-L462 HydrophobicContact CG-CB 3.93Å; P335-L462 HydrophobicContact CG-CD2 4.1Å; P335-D463 VanDerWaalsContact CD-O 3.27Å; P335-D463 WeakPolarHBondContact CD-O 3.24Å; P335-L464 HydrophobicContact CB-CD1 4.34Å; P335-L464 HydrophobicContact CG-CD1 4.07Å; P335-P467 CarbonylContact O-C 3.55Å; P335-P467 VanDerWaalsContact O-CA 3.29Å; P335-P467 WeakPolarHBondContact O-CA 3.39Å; P335-F468 PolarHBondContact O-N 2.7Å
336	V	98.7	Very high	97.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.4	-177.8	-178.6	0	0	0	0	109.1	L299 Q334 V415 R416 F468 R470	L299-V336 HydrophobicContact CD1-CG1 4.11Å; L299-V336 HydrophobicContact CD1-CG2 4.19Å; L299-V336 HydrophobicContact CD2-CB 4.41Å; L299-V336 HydrophobicContact CD2-CG1 4.36Å; L299-V336 HydrophobicContact CD2-CG2 4.26Å; Q334-V336 PolarHBondContact O-N 3.46Å; V336-V415 CarbonylContact O-C 3.57Å; V336-V415 WeakPolarHBondContact O-CA 3.32Å; V336-R416 HydrophobicContact CB-CB 4.36Å; V336-R416 PolarHBondContact N-O 2.68Å; V336-R416 PolarHBondContact O-N 2.74Å; V336-F468 WeakPolarHBondContact CA-O 3.27Å; V336-F468 HydrophobicContact CG1-CD1 4.24Å; V336-F468 HydrophobicContact CG2-CD1 4.32Å; V336-R470 HydrophobicContact CG1-CB 3.71Å; V336-R470 HydrophobicContact CG1-CG 4.41Å
337	V	98.6	Very high	97.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	106.9	178	-177.6	0	0	0	0	108.7	Y258 Y413 V415 P467 F468 F469 R470	Y258-V337 HydrophobicContact CD1-CG1 4.08Å; Y258-V337 HydrophobicContact CD1-CG2 4.28Å; Y258-V337 HydrophobicContact CE1-CG1 3.71Å; Y258-V337 HydrophobicContact CE1-CG2 4.43Å; Y258-V337 HydrophobicContact CG-CG2 4.42Å; V337-Y413 HydrophobicContact CG1-CD2 3.88Å; V337-Y413 HydrophobicContact CG1-CG 4.24Å; V337-V415 HydrophobicContact CG2-CG2 4.23Å; V337-P467 HydrophobicContact CG2-CB 3.67Å; V337-F468 PolarHBondContact N-O 2.95Å; V337-F469 HydrophobicContact CB-CD1 3.91Å; V337-F469 HydrophobicContact CB-CE1 4.02Å; V337-F469 HydrophobicContact CG1-CD1 3.94Å; V337-F469 HydrophobicContact CG1-CE1 3.83Å; V337-F469 HydrophobicContact CG2-CE1 4.33Å; V337-R470 PolarHBondContact O-N 3.49Å
338	D	97.8	Very high	97.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	-170.7	173.1	67.1	-0.7	0	0	0	111	Y413 Q414 R416 R470	D338-Y413 WeakPolarHBondContact O-CB 3.49Å; D338-Q414 PolarHBondContact N-O 3.45Å; D338-Q414 CarbonylContact O-C 3.57Å; D338-Q414 WeakPolarHBondContact O-CA 3.46Å; D338-Q414 PolarHBondContact O-N 3.34Å; D338-R416 IonicContact OD1-CZ 2.77Å; D338-R416 VanDerWaalsContact OD1-CZ 3.25Å; D338-R416 IonicContact OD1-NE 3.4Å; D338-R416 PolarHBondContact OD1-NE 3.23Å; D338-R416 IonicContact OD1-NH2 3.18Å; D338-R416 PolarHBondContact OD1-NH2 3Å; D338-R416 IonicContact OD2-CZ 3.74Å; D338-R416 IonicContact OD2-NH2 3.25Å; D338-R416 PolarHBondContact OD2-NH2 2.67Å; D338-R470 HydrophobicContact CB-CB 4.03Å; D338-R470 WeakPolarHBondContact OD2-CD 3.47Å; D338-R470 IonicContact OD2-CZ 2.92Å; D338-R470 IonicContact OD2-NH1 3Å; D338-R470 PolarHBondContact OD2-NH1 2.81Å
339	T	97.9	Very high	97.6	Very high	23 Å²	23	33.5 Å²	33.5	14%	0.141	18%	0.175	C	C	.	.			trans	-117.2	158.9	172.7	-172.9	0	0	0	0	110.7	L409 Q414 Y471 V476	T339-L409 HydrophobicContact CG2-CD1 4.03Å; T339-L409 HydrophobicContact CG2-CD2 4.22Å; T339-Q414 VanDerWaalsContact CA-OE1 3.31Å; T339-Q414 PolarHBondContact OG1-OE1 2.7Å; T339-Y471 HydrophobicContact CG2-CD2 3.96Å; T339-Y471 HydrophobicContact CG2-CE2 3.91Å; T339-V476 HydrophobicContact CG2-CG2 3.47Å; T339-V476 VanDerWaalsContact CG2-CG2 3.47Å
340	F	97.2	Very high	97.7	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.035	16%	0.159	C	C	.	.			trans	-150.6	159.2	-172	55.1	-99.8	0	0	0	112	I344 L345 A385 P405 Q414 R416	F340-I344 HydrophobicContact CB-CD1 3.67Å; F340-I344 HydrophobicContact CB-CG1 4.41Å; F340-I344 HydrophobicContact CD1-CD1 4.45Å; F340-I344 HydrophobicContact CD2-CD1 3.61Å; F340-I344 HydrophobicContact CD2-CG1 3.73Å; F340-I344 HydrophobicContact CE2-CD1 4.39Å; F340-I344 HydrophobicContact CE2-CG1 4.4Å; F340-I344 HydrophobicContact CG-CD1 3.65Å; F340-I344 HydrophobicContact CG-CG1 4.28Å; F340-L345 HydrophobicContact CE2-CD2 3.85Å; F340-L345 HydrophobicContact CE2-CG 4.32Å; F340-L345 HydrophobicContact CZ-CD2 4.42Å; F340-A385 HydrophobicContact CE1-CB 3.89Å; F340-A385 HydrophobicContact CE2-CB 4.29Å; F340-A385 HydrophobicContact CZ-CB 3.57Å; F340-P405 HydrophobicContact CD2-CB 4.19Å; F340-P405 HydrophobicContact CE2-CB 3.7Å; F340-P405 HydrophobicContact CE2-CG 3.68Å; F340-P405 HydrophobicContact CZ-CB 4.03Å; F340-P405 HydrophobicContact CZ-CG 3.94Å; F340-Q414 HydrophobicContact CD1-CB 4.26Å; F340-Q414 HydrophobicContact CE1-CB 3.48Å; F340-Q414 VanDerWaalsContact CE1-CB 3.48Å; F340-Q414 HydrophobicContact CE1-CG 4.11Å; F340-Q414 HydrophobicContact CZ-CB 4.08Å; F340-Q414 HydrophobicContact CZ-CG 4.29Å; F340-R416 VanDerWaalsContact CD1-CD 3.47Å; F340-R416 HydrophobicContact CD1-CG 3.91Å; F340-R416 HydrophobicContact CE1-CG 3.8Å
341	H	96.5	Very high	97.8	Very high	49 Å²	49	28.8 Å²	28.8	23%	0.227	15%	0.153	C	C	.	.			trans	-77.3	130.7	-178.7	-172	-85.8	0	0	0	108.9	G343 I344 V476 Q477 F482	H341-G343 WeakPolarHBondContact ND1-CA 3.47Å; H341-G343 PolarHBondContact ND1-N 2.96Å; H341-G343 PolarHBondContact O-N 2.97Å; H341-I344 WeakPolarHBondContact O-CG1 3.22Å; H341-I344 PolarHBondContact O-N 3.13Å; H341-V476 HydrophobicContact CB-CG1 3.79Å; H341-Q477 WeakPolarHBondContact CB-O 3.45Å; H341-F482 AromaticContact CE1-CE1 3.76Å; H341-F482 AromaticContact CE1-CE2 3.7Å; H341-F482 AromaticContact CE1-CZ 3.45Å; H341-F482 VanDerWaalsContact CE1-CZ 3.45Å; H341-F482 WeakPolarHBondContact CE1-CZ 3.44Å
342	T	96.1	Very high	97.8	Very high	61 Å²	61	28.5 Å²	28.5	37%	0.374	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-54.5	-23.4	-178.7	56.6	0	0	0	0	113.7	I344 L345 P405	T342-I344 PolarHBondContact O-N 3.05Å; T342-I344 VanDerWaalsContact O-N 3.14Å; T342-L345 VanDerWaalsContact O-CB 3.32Å; T342-L345 WeakPolarHBondContact O-CB 3.32Å; T342-L345 WeakPolarHBondContact O-CG 3.43Å; T342-L345 PolarHBondContact O-N 3Å; T342-P405 HydrophobicContact CG2-CB 4.11Å; T342-P405 HydrophobicContact CG2-CG 4.06Å
343	G	95.1	Very high	97.8	Very high	5 Å²	5	31.2 Å²	31.2	5%	0.052	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-58.6	-14.9	171.6	0	0	0	0	0	116.6	H341 L345 R377 F482	H341-G343 WeakPolarHBondContact ND1-CA 3.47Å; H341-G343 PolarHBondContact ND1-N 2.96Å; H341-G343 PolarHBondContact O-N 2.97Å; G343-L345 VanDerWaalsContact C-N 3.34Å; G343-R377 PolarHBondContact O-NH1 3.3Å; G343-F482 VanDerWaalsContact CA-CE2 3.5Å
344	I	97.2	Very high	97.8	Very high	12 Å²	12	31 Å²	31	6%	0.062	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-79.5	-18	172.4	73.5	167.1	0	0	0	112.8	Y294 S295 D296 F340 H341 T342 P479	Y294-I344 CarbonylContact C-O 3.15Å; Y294-I344 WeakPolarHBondContact CA-O 3.46Å; Y294-I344 HydrophobicContact CD2-CD1 3.97Å; Y294-I344 HydrophobicContact CG-CD1 4.16Å; S295-I344 PolarHBondContact N-O 2.98Å; S295-I344 WeakPolarHBondContact O-CB 3.2Å; D296-I344 HydrophobicContact CB-CD1 4.39Å; F340-I344 HydrophobicContact CB-CD1 3.67Å; F340-I344 HydrophobicContact CB-CG1 4.41Å; F340-I344 HydrophobicContact CD1-CD1 4.45Å; F340-I344 HydrophobicContact CD2-CD1 3.61Å; F340-I344 HydrophobicContact CD2-CG1 3.73Å; F340-I344 HydrophobicContact CE2-CD1 4.39Å; F340-I344 HydrophobicContact CE2-CG1 4.4Å; F340-I344 HydrophobicContact CG-CD1 3.65Å; F340-I344 HydrophobicContact CG-CG1 4.28Å; H341-I344 WeakPolarHBondContact O-CG1 3.22Å; H341-I344 PolarHBondContact O-N 3.13Å; T342-I344 PolarHBondContact O-N 3.05Å; T342-I344 VanDerWaalsContact O-N 3.14Å; I344-P479 HydrophobicContact CG2-CB 4.05Å; I344-P479 HydrophobicContact CG2-CG 3.99Å
345	L	97.7	Very high	97.8	Very high	28 Å²	28	32.3 Å²	32.3	15%	0.147	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-70.2	131.7	-178.8	-58.2	-178.1	0	0	0	110	F340 T342 G343 A385 W387	F340-L345 HydrophobicContact CE2-CD2 3.85Å; F340-L345 HydrophobicContact CE2-CG 4.32Å; F340-L345 HydrophobicContact CZ-CD2 4.42Å; T342-L345 VanDerWaalsContact O-CB 3.32Å; T342-L345 WeakPolarHBondContact O-CB 3.32Å; T342-L345 WeakPolarHBondContact O-CG 3.43Å; T342-L345 PolarHBondContact O-N 3Å; G343-L345 VanDerWaalsContact C-N 3.34Å; L345-A385 HydrophobicContact CD2-CB 4.06Å; L345-W387 HydrophobicContact CD1-CH2 3.88Å; L345-W387 HydrophobicContact CD1-CZ3 4.24Å; L345-W387 HydrophobicContact CD2-CZ3 4.41Å
346	M	97.3	Very high	97.8	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.015	17%	0.173	C	C	.	.			trans	-94.8	-12	-175.4	-62.3	-174.2	69.7	0	0	113.1	P293 L375 H376 I381	P293-M346 HydrophobicContact CB-CB 4.45Å; P293-M346 HydrophobicContact CG-CB 4.31Å; P293-M346 PolarHBondContact O-N 2.78Å; M346-L375 HydrophobicContact CB-CD2 4.12Å; M346-H376 PolarHBondContact O-N 3.46Å; M346-I381 HydrophobicContact CE-CG1 3.99Å; M346-I381 HydrophobicContact SD-CB 4.27Å; M346-I381 HydrophobicContact SD-CG1 3.6Å
347	S	98	Very high	97.7	Very high	8 Å²	8	35.3 Å²	35.3	6%	0.056	19%	0.192	C	C	.	.	S	Bend	trans	-147.8	166.9	179.9	177.3	0	0	0	0	110.5	S292 F373 I374	S292-S347 PolarHBondContact OG-O 2.79Å; S347-F373 WeakPolarHBondContact OG-CD1 3.05Å; S347-I374 PolarHBondContact OG-O 3Å
348	T	97.7	Very high	97.7	Very high	92 Å²	92	40 Å²	40	56%	0.564	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-57.7	150.5	158.3	48.5	0	0	0	0	110.3	F373	T348-F373 WeakPolarHBondContact O-CD1 3.38Å; T348-F373 VanDerWaalsContact O-CE1 3.32Å; T348-F373 WeakPolarHBondContact O-CE1 3.46Å
349	S	98.2	Very high	97.7	Very high	44 Å²	44	40.7 Å²	40.7	31%	0.308	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-70.2	144.6	178.3	62.3	0	0	0	0	112.5	H290 F291 W387	H290-S349 PolarHBondContact ND1-OG 2.88Å; H290-S349 VanDerWaalsContact ND1-OG 3.07Å; F291-S349 CarbonylContact O-C 3.57Å; F291-S349 VanDerWaalsContact O-CA 3.23Å; F291-S349 WeakPolarHBondContact O-CA 3.41Å; S349-W387 VanDerWaalsContact CB-CZ2 3.44Å
350	H	98.4	Very high	97.6	Very high	55 Å²	55	42.4 Å²	42.4	26%	0.255	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	143	162.2	-169.9	89.3	0	0	0	107.7	H290 F291 P370 F371 F373	H290-H350 VanDerWaalsContact CA-O 3.29Å; H290-H350 WeakPolarHBondContact CA-O 3.45Å; F291-H350 HydrophobicContact CD2-CB 4.45Å; F291-H350 HydrophobicContact CE1-CB 4.19Å; F291-H350 AromaticContact CE1-CD2 3.72Å; F291-H350 HydrophobicContact CE2-CB 4.03Å; F291-H350 HydrophobicContact CZ-CB 3.89Å; F291-H350 AromaticContact CZ-CD2 3.57Å; F291-H350 AromaticContact CZ-CG 3.92Å; F291-H350 PolarHBondContact N-O 3.32Å; F291-H350 PolarHBondContact O-N 3.3Å; H350-P370 PolarHBondContact CE1-O 3.45Å; H350-P370 PolarHBondContact NE2-O 2.74Å; H350-F371 HydrophobicContact CB-CB 4.39Å; H350-F373 HydrophobicContact CB-CE1 3.53Å; H350-F373 HydrophobicContact CB-CZ 3.48Å; H350-F373 VanDerWaalsContact CB-CZ 3.48Å; H350-F373 VanDerWaalsContact N-CE1 3.33Å
351	K	98.6	Very high	97.5	Very high	104 Å²	104	44.7 Å²	44.7	45%	0.452	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.4	-176.6	-173.3	178.9	94.3	143.5	0	109.7	D288	D288-K351 HydrophobicContact CB-CD 4.1Å; D288-K351 HydrophobicContact CB-CG 4.02Å; D288-K351 IonicContact OD1-NZ 3.93Å; D288-K351 VanDerWaalsContact OD2-CD 3.3Å; D288-K351 WeakPolarHBondContact OD2-CD 3.2Å; D288-K351 WeakPolarHBondContact OD2-CE 3.32Å; D288-K351 IonicContact OD2-NZ 3.24Å; D288-K351 PolarHBondContact OD2-NZ 3.03Å
352	W	98.5	Very high	97.5	Very high	58 Å²	58	48 Å²	48	22%	0.22	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.8	172.2	176.9	78.4	0	0	0	109.7	L261 D288 L289 I354 I367 I369	L261-W352 HydrophobicContact CD2-CZ3 4.39Å; D288-W352 CarbonylContact C-O 3.6Å; D288-W352 WeakPolarHBondContact CA-O 3.38Å; L289-W352 HydrophobicContact CB-CE3 4.02Å; L289-W352 HydrophobicContact CD2-CE3 4.35Å; L289-W352 PolarHBondContact N-O 3.17Å; L289-W352 PolarHBondContact O-N 3.1Å; W352-I354 HydrophobicContact CE3-CD1 4.48Å; W352-I354 HydrophobicContact CE3-CG1 4.04Å; W352-I354 HydrophobicContact CH2-CD1 3.56Å; W352-I354 HydrophobicContact CH2-CG1 3.33Å; W352-I354 HydrophobicContact CZ2-CG1 4.04Å; W352-I354 HydrophobicContact CZ3-CD1 3.47Å; W352-I354 VanDerWaalsContact CZ3-CD1 3.47Å; W352-I354 HydrophobicContact CZ3-CG1 3.35Å; W352-I367 HydrophobicContact CD2-CG2 4.35Å; W352-I367 HydrophobicContact CE3-CG2 4.41Å; W352-I367 HydrophobicContact CH2-CB 4.34Å; W352-I367 HydrophobicContact CH2-CD1 3.78Å; W352-I367 HydrophobicContact CH2-CG1 4.01Å; W352-I367 HydrophobicContact CH2-CG2 3.4Å; W352-I367 HydrophobicContact CZ2-CB 4.46Å; W352-I367 HydrophobicContact CZ2-CG1 4.36Å; W352-I367 HydrophobicContact CZ2-CG2 3.32Å; W352-I367 HydrophobicContact CZ3-CD1 4.35Å; W352-I367 HydrophobicContact CZ3-CG2 3.95Å; W352-I369 HydrophobicContact CB-CD1 3.82Å; W352-I369 HydrophobicContact CB-CG1 4.37Å; W352-I369 HydrophobicContact CB-CG2 3.86Å; W352-I369 HydrophobicContact CD2-CD1 3.56Å; W352-I369 HydrophobicContact CD2-CG1 4.04Å; W352-I369 HydrophobicContact CE3-CD1 3.73Å; W352-I369 HydrophobicContact CG-CD1 3.58Å; W352-I369 HydrophobicContact CG-CG1 3.88Å; W352-I369 HydrophobicContact CG-CG2 4.06Å; W352-I369 HydrophobicContact CZ3-CD1 4.46Å
353	T	98.7	Very high	97.5	Very high	62 Å²	62	47.6 Å²	47.6	38%	0.38	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.8	-170.8	-57.7	0	0	0	0	111.2	I286 G287 D288	I286-T353 HydrophobicContact CB-CG2 4.29Å; I286-T353 HydrophobicContact CD1-CG2 4.2Å; G287-T353 CarbonylContact O-C 3.59Å; G287-T353 WeakPolarHBondContact O-CA 3.4Å; D288-T353 WeakPolarHBondContact OD1-CA 3.32Å; D288-T353 WeakPolarHBondContact OD1-CB 3.28Å; D288-T353 WeakPolarHBondContact OD1-CG2 3.47Å; D288-T353 PolarHBondContact OD1-OG1 3.37Å
354	I	98.6	Very high	97.6	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.5	165.6	-48	175.3	0	0	0	108.1	L260 L261 L266 I286 G287 W352 F356 C359 L364	L260-I354 HydrophobicContact CD2-CD1 4.13Å; L261-I354 HydrophobicContact CD2-CD1 3.94Å; L266-I354 HydrophobicContact CD1-CD1 4.15Å; I286-I354 CarbonylContact C-O 3.14Å; I286-I354 WeakPolarHBondContact CA-O 3.4Å; I286-I354 WeakPolarHBondContact CB-O 3.23Å; G287-I354 PolarHBondContact N-O 3.43Å; G287-I354 PolarHBondContact O-N 3.37Å; W352-I354 HydrophobicContact CE3-CD1 4.48Å; W352-I354 HydrophobicContact CE3-CG1 4.04Å; W352-I354 HydrophobicContact CH2-CD1 3.56Å; W352-I354 HydrophobicContact CH2-CG1 3.33Å; W352-I354 HydrophobicContact CZ2-CG1 4.04Å; W352-I354 HydrophobicContact CZ3-CD1 3.47Å; W352-I354 VanDerWaalsContact CZ3-CD1 3.47Å; W352-I354 HydrophobicContact CZ3-CG1 3.35Å; I354-F356 HydrophobicContact CB-CD1 4.37Å; I354-F356 HydrophobicContact CB-CE1 3.89Å; I354-F356 HydrophobicContact CB-CZ 4.42Å; I354-F356 HydrophobicContact CD1-CE1 4.23Å; I354-F356 HydrophobicContact CG2-CD1 3.74Å; I354-F356 HydrophobicContact CG2-CE1 3.63Å; I354-C359 HydrophobicContact CG2-CB 3.91Å; I354-L364 HydrophobicContact CD1-CD2 3.97Å; I354-L364 HydrophobicContact CG2-CD2 4.4Å
355	D	98.5	Very high	97.6	Very high	54 Å²	54	50 Å²	50	29%	0.289	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	103.7	168	176.3	4.2	0	0	0	110.2	I286 T357 T358 C359	I286-D355 HydrophobicContact CG2-CB 4.33Å; D355-T357 VanDerWaalsContact CG-OG1 3.26Å; D355-T357 PolarHBondContact O-N 2.9Å; D355-T357 VanDerWaalsContact O-N 3.14Å; D355-T357 WeakPolarHBondContact OD1-CA 3.32Å; D355-T357 VanDerWaalsContact OD1-CB 3.31Å; D355-T357 WeakPolarHBondContact OD1-CB 3.34Å; D355-T357 PolarHBondContact OD1-N 3.37Å; D355-T357 PolarHBondContact OD1-OG1 2.92Å; D355-T357 PolarHBondContact OD2-OG1 3.18Å; D355-T358 WeakPolarHBondContact CB-OG1 3.42Å; D355-T358 PolarHBondContact O-N 3.04Å; D355-T358 VanDerWaalsContact O-N 3.13Å; D355-T358 PolarHBondContact OD2-OG1 3.23Å; D355-C359 WeakPolarHBondContact O-CB 3.48Å; D355-C359 PolarHBondContact O-N 3.32Å; D355-C359 PolarHBondContact O-SG 2.72Å; D355-C359 VanDerWaalsContact O-SG 3.38Å
356	F	98.6	Very high	97.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-8.9	-178.8	-55.1	-52.1	0	0	0	113	L266 F269 V270 R273 M282 P284 S285 G287 I354	L266-F356 HydrophobicContact CD1-CE1 4.23Å; L266-F356 HydrophobicContact CD2-CD1 4.46Å; L266-F356 HydrophobicContact CD2-CE1 3.6Å; L266-F356 HydrophobicContact CD2-CZ 3.68Å; L266-F356 HydrophobicContact CG-CE1 4.43Å; F269-F356 HydrophobicContact CD1-CB 4.37Å; F269-F356 HydrophobicContact CD1-CD1 4.41Å; F269-F356 HydrophobicContact CD1-CG 4.2Å; F269-F356 HydrophobicContact CE1-CB 3.86Å; F269-F356 HydrophobicContact CE1-CD1 4.47Å; F269-F356 AromaticContact CE1-CD2 3.88Å; F269-F356 HydrophobicContact CE1-CD2 3.88Å; F269-F356 AromaticContact CE1-CG 3.83Å; F269-F356 HydrophobicContact CE1-CG 3.83Å; V270-F356 HydrophobicContact CG2-CD1 4.45Å; R273-F356 VanDerWaalsContact CD-O 3.31Å; R273-F356 WeakPolarHBondContact CD-O 3.49Å; R273-F356 PolarHBondContact NH1-O 3.38Å; M282-F356 HydrophobicContact CE-CB 4.33Å; P284-F356 HydrophobicContact CB-CD2 4.37Å; P284-F356 HydrophobicContact CB-CE2 4.28Å; P284-F356 HydrophobicContact CG-CD2 4.06Å; P284-F356 HydrophobicContact CG-CE2 3.84Å; S285-F356 WeakPolarHBondContact O-CB 3.45Å; S285-F356 PolarHBondContact O-N 2.88Å; G287-F356 VanDerWaalsContact N-CE2 3.32Å; I354-F356 HydrophobicContact CB-CD1 4.37Å; I354-F356 HydrophobicContact CB-CE1 3.89Å; I354-F356 HydrophobicContact CB-CZ 4.42Å; I354-F356 HydrophobicContact CD1-CE1 4.23Å; I354-F356 HydrophobicContact CG2-CD1 3.74Å; I354-F356 HydrophobicContact CG2-CE1 3.63Å
357	T	97.3	Very high	97.6	Very high	65 Å²	65	55.2 Å²	55.2	40%	0.399	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-24	173.8	74	0	0	0	0	112.3	M282 D355	M282-T357 HydrophobicContact CB-CG2 4.17Å; M282-T357 HydrophobicContact CG-CG2 4.15Å; D355-T357 VanDerWaalsContact CG-OG1 3.26Å; D355-T357 PolarHBondContact O-N 2.9Å; D355-T357 VanDerWaalsContact O-N 3.14Å; D355-T357 WeakPolarHBondContact OD1-CA 3.32Å; D355-T357 VanDerWaalsContact OD1-CB 3.31Å; D355-T357 WeakPolarHBondContact OD1-CB 3.34Å; D355-T357 PolarHBondContact OD1-N 3.37Å; D355-T357 PolarHBondContact OD1-OG1 2.92Å; D355-T357 PolarHBondContact OD2-OG1 3.18Å
358	T	97.4	Very high	97.7	Very high	101 Å²	101	60.9 Å²	60.9	62%	0.62	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	-24.1	-171.8	58.8	0	0	0	0	115	D355	D355-T358 WeakPolarHBondContact CB-OG1 3.42Å; D355-T358 PolarHBondContact O-N 3.04Å; D355-T358 VanDerWaalsContact O-N 3.13Å; D355-T358 PolarHBondContact OD2-OG1 3.23Å
359	C	97.8	Very high	97.7	Very high	17 Å²	17	56.6 Å²	56.6	12%	0.115	30%	0.301	C	S	.	.			trans	-63.8	144.7	-173.5	73.7	0	0	0	0	112.5	V270 R273 I354 D355	V270-C359 WeakPolarHBondContact CG1-O 3.04Å; V270-C359 WeakPolarHBondContact CG2-SG 3.17Å; R273-C359 VanDerWaalsContact CZ-O 3.26Å; R273-C359 PolarHBondContact NH1-O 2.96Å; R273-C359 PolarHBondContact NH2-O 2.54Å; I354-C359 HydrophobicContact CG2-CB 3.91Å; D355-C359 WeakPolarHBondContact O-CB 3.48Å; D355-C359 PolarHBondContact O-N 3.32Å; D355-C359 PolarHBondContact O-SG 2.72Å; D355-C359 VanDerWaalsContact O-SG 3.38Å
360	S	96.7	Very high	97.7	Very high	58 Å²	58	58.7 Å²	58.7	41%	0.406	31%	0.313	S	S	.	.			trans	-80.9	157.5	175.7	71.3	0	0	0	0	112	N362 S363	S360-N362 VanDerWaalsContact C-N 3.3Å; S360-N362 PolarHBondContact O-N 2.88Å; S360-S363 PolarHBondContact N-OG 3.3Å; S360-S363 PolarHBondContact O-N 2.81Å; S360-S363 PolarHBondContact O-OG 2.88Å; S360-S363 WeakPolarHBondContact OG-CB 3.42Å; S360-S363 PolarHBondContact OG-N 3.05Å; S360-S363 PolarHBondContact OG-OG 3.15Å
361	E	94.8	Very high	97.7	Very high	56 Å²	56	56.5 Å²	56.5	26%	0.262	30%	0.303	S	S	.	.	S	Bend	trans	-60.9	-43.9	170.2	-67.3	173.8	-132.3	0	0	110.4	V270 H271 S363 L364	V270-E361 HydrophobicContact CB-CG 4.26Å; V270-E361 HydrophobicContact CG1-CB 4.49Å; V270-E361 HydrophobicContact CG1-CG 3.64Å; H271-E361 VanDerWaalsContact CA-OE1 3.3Å; H271-E361 WeakPolarHBondContact CA-OE1 3.47Å; H271-E361 HydrophobicContact CB-CG 4.45Å; H271-E361 WeakPolarHBondContact CB-OE1 3.46Å; H271-E361 IonicContact CE1-OE1 3.24Å; H271-E361 IonicContact CG-OE1 2.88Å; H271-E361 IonicContact CG-OE2 3.86Å; H271-E361 VanDerWaalsContact ND1-CD 3.3Å; H271-E361 IonicContact ND1-OE1 2.92Å; H271-E361 PolarHBondContact ND1-OE1 3.07Å; H271-E361 IonicContact ND1-OE2 2.66Å; H271-E361 PolarHBondContact ND1-OE2 3.23Å; E361-S363 VanDerWaalsContact C-N 3.26Å; E361-S363 PolarHBondContact O-N 3Å; E361-L364 WeakPolarHBondContact O-CB 3.43Å; E361-L364 PolarHBondContact O-N 2.72Å
362	N	95.6	Very high	97.7	Very high	119 Å²	119	55.7 Å²	55.7	64%	0.636	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-61.8	-30.5	-178.4	-70.1	-20.4	0	0	0	113.7	S360 L364 H365	S360-N362 VanDerWaalsContact C-N 3.3Å; S360-N362 PolarHBondContact O-N 2.88Å; N362-L364 PolarHBondContact O-N 3.33Å; N362-H365 WeakPolarHBondContact O-CB 3.3Å; N362-H365 PolarHBondContact O-N 3.01Å; N362-H365 VanDerWaalsContact O-N 3.1Å
363	S	96.5	Very high	97.7	Very high	53 Å²	53	53.2 Å²	53.2	37%	0.371	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-67.9	-9.8	176.3	48.1	0	0	0	0	113.5	S360 E361 I367	S360-S363 PolarHBondContact N-OG 3.3Å; S360-S363 PolarHBondContact O-N 2.81Å; S360-S363 PolarHBondContact O-OG 2.88Å; S360-S363 WeakPolarHBondContact OG-CB 3.42Å; S360-S363 PolarHBondContact OG-N 3.05Å; S360-S363 PolarHBondContact OG-OG 3.15Å; E361-S363 VanDerWaalsContact C-N 3.26Å; E361-S363 PolarHBondContact O-N 3Å; S363-I367 WeakPolarHBondContact O-CG1 3.45Å
364	L	97.7	Very high	97.7	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-91.8	-6.7	173.7	-58.1	174.9	0	0	0	112.6	L266 E267 V270 I354 E361 N362 I367 Y445	L266-L364 HydrophobicContact CB-CD1 3.87Å; E267-L364 HydrophobicContact CB-CD1 4.49Å; E267-L364 HydrophobicContact CG-CB 3.91Å; E267-L364 HydrophobicContact CG-CD1 3.77Å; E267-L364 HydrophobicContact CG-CG 4.5Å; V270-L364 HydrophobicContact CG2-CD1 4.22Å; I354-L364 HydrophobicContact CD1-CD2 3.97Å; I354-L364 HydrophobicContact CG2-CD2 4.4Å; E361-L364 WeakPolarHBondContact O-CB 3.43Å; E361-L364 PolarHBondContact O-N 2.72Å; N362-L364 PolarHBondContact O-N 3.33Å; L364-I367 HydrophobicContact CD2-CD1 4.5Å; L364-Y445 WeakPolarHBondContact O-CE1 3.37Å; L364-Y445 VanDerWaalsContact O-CZ 3.31Å; L364-Y445 PolarHBondContact O-OH 2.65Å
365	H	96.8	Very high	97.7	Very high	66 Å²	66	54.2 Å²	54.2	31%	0.306	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-36	-177.4	-65.1	171.1	0	0	0	113.3	E267 N362 A439	E267-H365 IonicContact OE1-CD2 2.71Å; E267-H365 IonicContact OE2-CD2 2.79Å; E267-H365 IonicContact OE2-NE2 2.96Å; N362-H365 WeakPolarHBondContact O-CB 3.3Å; N362-H365 PolarHBondContact O-N 3.01Å; N362-H365 VanDerWaalsContact O-N 3.1Å; H365-A439 HydrophobicContact CB-CB 4.41Å; H365-A439 VanDerWaalsContact O-CB 3.26Å; H365-A439 WeakPolarHBondContact O-CB 3.32Å; H365-A439 PolarHBondContact O-N 2.94Å
366	E	97.8	Very high	97.6	Very high	134 Å²	134	56.2 Å²	56.2	63%	0.626	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	113.1	177.3	-169.5	174.2	97	0	0	107.5	L436 F437	E366-L436 HydrophobicContact CG-CD1 3.87Å; E366-F437 WeakPolarHBondContact CA-O 3.36Å
367	I	98.5	Very high	97.3	Very high	5 Å²	5	61.5 Å²	61.5	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	108.1	-174.2	-59.2	159.2	0	0	0	108	L261 W352 S363 L364 I369 L436 F437 Y445	L261-I367 HydrophobicContact CD1-CD1 3.72Å; L261-I367 HydrophobicContact CD2-CD1 3.83Å; L261-I367 HydrophobicContact CG-CD1 4.43Å; W352-I367 HydrophobicContact CD2-CG2 4.35Å; W352-I367 HydrophobicContact CE3-CG2 4.41Å; W352-I367 HydrophobicContact CH2-CB 4.34Å; W352-I367 HydrophobicContact CH2-CD1 3.78Å; W352-I367 HydrophobicContact CH2-CG1 4.01Å; W352-I367 HydrophobicContact CH2-CG2 3.4Å; W352-I367 HydrophobicContact CZ2-CB 4.46Å; W352-I367 HydrophobicContact CZ2-CG1 4.36Å; W352-I367 HydrophobicContact CZ2-CG2 3.32Å; W352-I367 HydrophobicContact CZ3-CD1 4.35Å; W352-I367 HydrophobicContact CZ3-CG2 3.95Å; S363-I367 WeakPolarHBondContact O-CG1 3.45Å; L364-I367 HydrophobicContact CD2-CD1 4.5Å; I367-I369 HydrophobicContact CG2-CD1 3.97Å; I367-I369 HydrophobicContact CG2-CG1 3.75Å; I367-L436 CarbonylContact O-C 3.51Å; I367-L436 WeakPolarHBondContact O-CA 3.45Å; I367-F437 HydrophobicContact CB-CB 4.15Å; I367-F437 HydrophobicContact CB-CD2 4.36Å; I367-F437 HydrophobicContact CG2-CD2 4.36Å; I367-F437 PolarHBondContact N-O 2.96Å; I367-F437 PolarHBondContact O-N 3.45Å; I367-Y445 HydrophobicContact CD1-CE1 4.34Å
368	E	98.3	Very high	97.2	Very high	128 Å²	128	62.4 Å²	62.4	60%	0.598	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.2	175.3	-168.6	-175.3	156.9	0	0	110.2	V434 L436	E368-V434 HydrophobicContact CG-CG2 3.41Å; E368-V434 VanDerWaalsContact CG-CG2 3.41Å; E368-L436 HydrophobicContact CB-CD1 4.07Å; E368-L436 HydrophobicContact CG-CD1 4.49Å
369	I	98.6	Very high	97.1	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	94.4	-178.6	-45.5	175.3	0	0	0	109.3	L289 F291 W352 I367 V434 V435 F437	L289-I369 HydrophobicContact CD2-CD1 4.09Å; F291-I369 HydrophobicContact CE1-CG2 3.9Å; F291-I369 HydrophobicContact CZ-CG2 3.94Å; W352-I369 HydrophobicContact CB-CD1 3.82Å; W352-I369 HydrophobicContact CB-CG1 4.37Å; W352-I369 HydrophobicContact CB-CG2 3.86Å; W352-I369 HydrophobicContact CD2-CD1 3.56Å; W352-I369 HydrophobicContact CD2-CG1 4.04Å; W352-I369 HydrophobicContact CE3-CD1 3.73Å; W352-I369 HydrophobicContact CG-CD1 3.58Å; W352-I369 HydrophobicContact CG-CG1 3.88Å; W352-I369 HydrophobicContact CG-CG2 4.06Å; W352-I369 HydrophobicContact CZ3-CD1 4.46Å; I367-I369 HydrophobicContact CG2-CD1 3.97Å; I367-I369 HydrophobicContact CG2-CG1 3.75Å; I369-V434 WeakPolarHBondContact O-CA 3.32Å; I369-V435 PolarHBondContact N-O 2.95Å; I369-V435 PolarHBondContact O-N 3.26Å; I369-F437 HydrophobicContact CD1-CD2 4.37Å; I369-F437 HydrophobicContact CD1-CE2 3.95Å
370	P	98.5	Very high	97.1	Very high	87 Å²	87	63.1 Å²	63.1	57%	0.565	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	142.4	172	30.3	-34	0	0	0	110.2	H350 G433	H350-P370 PolarHBondContact CE1-O 3.45Å; H350-P370 PolarHBondContact NE2-O 2.74Å; P370-G433 WeakPolarHBondContact CA-O 3.43Å
371	F	98.4	Very high	97.1	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.044	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.8	178.6	60.9	-99.4	0	0	0	112.3	F291 H350 F373 L384 T432 G433 V434 V435 V451	F291-F371 HydrophobicContact CE2-CB 3.89Å; F291-F371 AromaticContact CE2-CD1 3.45Å; F291-F371 HydrophobicContact CE2-CD1 3.45Å; F291-F371 VanDerWaalsContact CE2-CD1 3.45Å; F291-F371 HydrophobicContact CE2-CE1 4.12Å; F291-F371 AromaticContact CE2-CG 3.76Å; F291-F371 HydrophobicContact CE2-CG 3.76Å; F291-F371 HydrophobicContact CZ-CB 3.99Å; F291-F371 AromaticContact CZ-CD1 3.84Å; F291-F371 HydrophobicContact CZ-CD1 3.84Å; F291-F371 HydrophobicContact CZ-CG 4.22Å; H350-F371 HydrophobicContact CB-CB 4.39Å; F371-F373 HydrophobicContact CB-CD2 4.46Å; F371-F373 HydrophobicContact CB-CE2 3.98Å; F371-F373 HydrophobicContact CB-CZ 4.41Å; F371-F373 HydrophobicContact CD1-CE2 4.48Å; F371-F373 AromaticContact CD2-CD2 3.34Å; F371-F373 HydrophobicContact CD2-CD2 3.34Å; F371-F373 AromaticContact CD2-CE2 3.29Å; F371-F373 HydrophobicContact CD2-CE2 3.29Å; F371-F373 HydrophobicContact CD2-CG 4.49Å; F371-F373 HydrophobicContact CD2-CZ 4.43Å; F371-F373 AromaticContact CE2-CD2 3.84Å; F371-F373 HydrophobicContact CE2-CD2 3.84Å; F371-F373 AromaticContact CE2-CE2 3.83Å; F371-F373 HydrophobicContact CE2-CE2 3.83Å; F371-F373 HydrophobicContact CG-CD2 4.14Å; F371-F373 AromaticContact CG-CE2 3.67Å; F371-F373 HydrophobicContact CG-CE2 3.67Å; F371-F373 HydrophobicContact CG-CZ 4.48Å; F371-L384 HydrophobicContact CE1-CD1 4.01Å; F371-L384 HydrophobicContact CZ-CD1 4.13Å; F371-T432 VanDerWaalsContact CE2-C 3.4Å; F371-T432 WeakPolarHBondContact O-CA 3.46Å; F371-G433 VanDerWaalsContact CE1-C 3.4Å; F371-G433 VanDerWaalsContact CE2-N 3.32Å; F371-G433 VanDerWaalsContact CZ-CA 3.41Å; F371-G433 PolarHBondContact N-O 2.92Å; F371-G433 PolarHBondContact O-N 2.93Å; F371-V434 VanDerWaalsContact CE1-N 3.3Å; F371-V435 HydrophobicContact CD1-CG2 4.04Å; F371-V435 HydrophobicContact CE1-CG2 3.75Å; F371-V451 HydrophobicContact CZ-CG2 4.03Å
372	D	98.3	Very high	97.3	Very high	87 Å²	87	57.8 Å²	57.8	47%	0.465	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	105.4	172.4	-176	7.6	0	0	0	109.1	H430 T432	D372-H430 VanDerWaalsContact CG-ND1 3.25Å; D372-H430 IonicContact OD1-CE1 3.35Å; D372-H430 IonicContact OD1-CG 3.85Å; D372-H430 IonicContact OD1-ND1 2.78Å; D372-H430 PolarHBondContact OD1-ND1 3.02Å; D372-H430 IonicContact OD2-CE1 2.79Å; D372-H430 IonicContact OD2-ND1 2.98Å; D372-H430 PolarHBondContact OD2-ND1 3.5Å; D372-T432 HydrophobicContact CB-CG2 4.07Å; D372-T432 VanDerWaalsContact OD1-CG2 3.32Å; D372-T432 WeakPolarHBondContact OD1-CG2 3.28Å
373	F	98.5	Very high	97.5	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	140.2	180	-67.2	-70.8	0	0	0	111.4	F291 P293 S347 T348 H350 F371 L384 H430 C431	F291-F373 HydrophobicContact CD2-CE2 4.09Å; F291-F373 AromaticContact CD2-CZ 3.7Å; F291-F373 HydrophobicContact CD2-CZ 3.7Å; F291-F373 AromaticContact CE2-CE2 3.9Å; F291-F373 HydrophobicContact CE2-CE2 3.9Å; F291-F373 AromaticContact CE2-CZ 3.72Å; F291-F373 HydrophobicContact CE2-CZ 3.72Å; F291-F373 WeakPolarHBondContact O-CE1 3.42Å; F291-F373 VanDerWaalsContact O-CZ 3.29Å; F291-F373 WeakPolarHBondContact O-CZ 3.15Å; P293-F373 HydrophobicContact CG-CB 4.37Å; P293-F373 HydrophobicContact CG-CD2 4.08Å; P293-F373 HydrophobicContact CG-CG 4.11Å; S347-F373 WeakPolarHBondContact OG-CD1 3.05Å; T348-F373 WeakPolarHBondContact O-CD1 3.38Å; T348-F373 VanDerWaalsContact O-CE1 3.32Å; T348-F373 WeakPolarHBondContact O-CE1 3.46Å; H350-F373 HydrophobicContact CB-CE1 3.53Å; H350-F373 HydrophobicContact CB-CZ 3.48Å; H350-F373 VanDerWaalsContact CB-CZ 3.48Å; H350-F373 VanDerWaalsContact N-CE1 3.33Å; F371-F373 HydrophobicContact CB-CD2 4.46Å; F371-F373 HydrophobicContact CB-CE2 3.98Å; F371-F373 HydrophobicContact CB-CZ 4.41Å; F371-F373 HydrophobicContact CD1-CE2 4.48Å; F371-F373 AromaticContact CD2-CD2 3.34Å; F371-F373 HydrophobicContact CD2-CD2 3.34Å; F371-F373 AromaticContact CD2-CE2 3.29Å; F371-F373 HydrophobicContact CD2-CE2 3.29Å; F371-F373 HydrophobicContact CD2-CG 4.49Å; F371-F373 HydrophobicContact CD2-CZ 4.43Å; F371-F373 AromaticContact CE2-CD2 3.84Å; F371-F373 HydrophobicContact CE2-CD2 3.84Å; F371-F373 AromaticContact CE2-CE2 3.83Å; F371-F373 HydrophobicContact CE2-CE2 3.83Å; F371-F373 HydrophobicContact CG-CD2 4.14Å; F371-F373 AromaticContact CG-CE2 3.67Å; F371-F373 HydrophobicContact CG-CE2 3.67Å; F371-F373 HydrophobicContact CG-CZ 4.48Å; F373-L384 HydrophobicContact CE2-CD2 4.33Å; F373-H430 CarbonylContact O-C 3.59Å; F373-H430 VanDerWaalsContact O-CA 3.29Å; F373-H430 WeakPolarHBondContact O-CA 3.44Å; F373-C431 HydrophobicContact CB-CB 4.18Å; F373-C431 PolarHBondContact N-O 3.35Å; F373-C431 PolarHBondContact O-N 2.83Å
374	I	98.3	Very high	97.6	Very high	88 Å²	88	49.6 Å²	49.6	45%	0.451	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116	165.1	-59.3	174	0	0	0	108	S347 H376	S347-I374 PolarHBondContact OG-O 3Å; I374-H376 PolarHBondContact O-CD2 2.82Å; I374-H376 VanDerWaalsContact O-CD2 3.23Å; I374-H376 PolarHBondContact O-N 3.47Å
375	L	98.3	Very high	97.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	24%	0.244	C	C	.	.			trans	-69	127.8	-178	-61.8	-178.5	0	0	0	111.6	P293 M346 I381 K427 G428 T429 C431	P293-L375 HydrophobicContact CG-CD2 4.03Å; M346-L375 HydrophobicContact CB-CD2 4.12Å; L375-I381 HydrophobicContact CD1-CD1 4.11Å; L375-I381 HydrophobicContact CD2-CD1 4.35Å; L375-K427 CarbonylContact O-C 3.5Å; L375-K427 WeakPolarHBondContact O-CA 3.06Å; L375-G428 PolarHBondContact O-N 3.18Å; L375-T429 PolarHBondContact N-O 3.44Å; L375-C431 HydrophobicContact CD1-CB 4.43Å; L375-C431 HydrophobicContact CD2-CB 3.9Å; L375-C431 HydrophobicContact CG-CB 4.1Å
376	H	96.5	Very high	97.7	Very high	96 Å²	96	46.3 Å²	46.3	44%	0.444	23%	0.229	S	C	.	.	S	Bend	trans	-89.8	-14.1	176.3	-64.9	175.9	0	0	0	112.9	M346 I374 K427	M346-H376 PolarHBondContact O-N 3.46Å; I374-H376 PolarHBondContact O-CD2 2.82Å; I374-H376 VanDerWaalsContact O-CD2 3.23Å; I374-H376 PolarHBondContact O-N 3.47Å; H376-K427 WeakPolarHBondContact O-CD 3.48Å; H376-K427 WeakPolarHBondContact O-CE 3.46Å; H376-K427 WeakPolarHBondContact O-CG 3.37Å
377	R	92.5	Very high	97.8	Very high	111 Å²	111	40.7 Å²	40.7	42%	0.419	20%	0.202	S	C	.	.	S	Bend	trans	-135.4	146.2	-177.9	-58.8	-179.5	-177.4	-141.4	-5.6	110	G343	G343-R377 PolarHBondContact O-NH1 3.3Å
378	T	95.3	Very high	97.8	Very high	83 Å²	83	40.6 Å²	40.6	51%	0.509	20%	0.202	S	C	.	.			trans	-86.1	136.4	170	-62.1	0	0	0	0	109.1	F424 G425 K427	T378-F424 HydrophobicContact CG2-CE1 4.04Å; T378-F424 HydrophobicContact CG2-CE2 4.34Å; T378-F424 HydrophobicContact CG2-CZ 3.56Å; T378-G425 WeakPolarHBondContact CA-O 3.31Å; T378-K427 PolarHBondContact OG1-N 2.97Å
379	G	95.4	Very high	97.8	Very high	14 Å²	14	36.6 Å²	36.6	14%	0.144	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163	-173.9	176.7	0	0	0	0	0	113.3	G425	G379-G425 PolarHBondContact N-O 3.36Å; G379-G425 PolarHBondContact O-N 2.74Å
380	Y	97.3	Very high	97.8	Very high	119 Å²	119	36.5 Å²	36.5	47%	0.467	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.5	172.6	-72.4	-78.1	0	0	0	110.9	S295 H382 P422 I423 F424	S295-Y380 WeakPolarHBondContact CB-O 3.34Å; S295-Y380 PolarHBondContact OG-O 3.33Å; Y380-H382 PolarHBondContact O-N 2.96Å; Y380-H382 PolarHBondContact O-ND1 2.72Å; Y380-P422 HydrophobicContact CD1-CB 4.16Å; Y380-I423 CarbonylContact C-O 3.58Å; Y380-I423 WeakPolarHBondContact CA-O 3.42Å; Y380-F424 HydrophobicContact CD1-CB 4.11Å; Y380-F424 HydrophobicContact CD1-CD2 4.2Å; Y380-F424 HydrophobicContact CD2-CD2 4.23Å; Y380-F424 HydrophobicContact CE1-CB 3.92Å; Y380-F424 HydrophobicContact CE1-CD2 4.03Å; Y380-F424 HydrophobicContact CE1-CG 4.47Å; Y380-F424 HydrophobicContact CE2-CD2 4.04Å; Y380-F424 HydrophobicContact CG-CD2 4.3Å; Y380-F424 AromaticContact CZ-CD2 3.94Å
381	I	98.4	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	109.4	167.9	-57.1	160.2	0	0	0	106.7	P293 M346 L375 L419 P422 I423 C431 C453	P293-I381 HydrophobicContact CB-CG1 4.49Å; P293-I381 HydrophobicContact CB-CG2 3.82Å; M346-I381 HydrophobicContact CE-CG1 3.99Å; M346-I381 HydrophobicContact SD-CB 4.27Å; M346-I381 HydrophobicContact SD-CG1 3.6Å; L375-I381 HydrophobicContact CD1-CD1 4.11Å; L375-I381 HydrophobicContact CD2-CD1 4.35Å; I381-L419 HydrophobicContact CG2-CD1 4.17Å; I381-P422 VanDerWaalsContact O-CA 3.23Å; I381-P422 WeakPolarHBondContact O-CA 3.14Å; I381-P422 WeakPolarHBondContact O-CB 3.16Å; I381-I423 PolarHBondContact N-O 2.84Å; I381-I423 PolarHBondContact O-N 3.43Å; I381-I423 VanDerWaalsContact O-N 3.09Å; I381-C431 HydrophobicContact CD1-CB 4.37Å; I381-C453 HydrophobicContact CD1-CB 4.1Å
382	H	98.5	Very high	97.9	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-17.5	-179.3	-70.7	102.2	0	0	0	112.6	Y294 D296 E297 Y300 Y380 Q418 L419	Y294-H382 HydrophobicContact CD2-CB 4.32Å; Y294-H382 HydrophobicContact CE2-CB 3.82Å; Y294-H382 PolarHBondContact O-N 2.79Å; D296-H382 PolarHBondContact N-ND1 2.91Å; D296-H382 VanDerWaalsContact N-ND1 3.1Å; E297-H382 IonicContact OE2-CE1 2.74Å; E297-H382 PolarHBondContact OE2-CE1 2.87Å; E297-H382 IonicContact OE2-NE2 3.03Å; E297-H382 PolarHBondContact OE2-NE2 3.12Å; E297-H382 VanDerWaalsContact OE2-NE2 3.16Å; Y300-H382 VanDerWaalsContact CB-CD2 3.49Å; Y300-H382 WeakPolarHBondContact CB-CD2 3.49Å; Y300-H382 AromaticContact CG-CD2 3.63Å; Y380-H382 PolarHBondContact O-N 2.96Å; Y380-H382 PolarHBondContact O-ND1 2.72Å; H382-Q418 CarbonylContact O-C 3.49Å; H382-Q418 WeakPolarHBondContact O-CA 3.46Å; H382-L419 PolarHBondContact O-N 3.31Å
383	G	98.6	Very high	97.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-170.3	-174.7	0	0	0	0	0	113.3	P293 Y294 C417	P293-G383 WeakPolarHBondContact CA-O 3.38Å; Y294-G383 WeakPolarHBondContact CD1-O 3.49Å; Y294-G383 VanDerWaalsContact CE1-CA 3.41Å; Y294-G383 PolarHBondContact N-O 2.96Å; G383-C417 CarbonylContact C-O 3.57Å; G383-C417 WeakPolarHBondContact CA-O 3.43Å
384	L	98.8	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133	170.1	-62.5	179.1	0	0	0	109.4	F291 P293 F371 F373 F386 C417 V435 I449 V451	F291-L384 HydrophobicContact CD2-CD1 4.15Å; F291-L384 HydrophobicContact CD2-CD2 4.5Å; F291-L384 HydrophobicContact CE2-CD1 4.45Å; P293-L384 HydrophobicContact CB-CD2 4.24Å; F371-L384 HydrophobicContact CE1-CD1 4.01Å; F371-L384 HydrophobicContact CZ-CD1 4.13Å; F373-L384 HydrophobicContact CE2-CD2 4.33Å; L384-F386 HydrophobicContact CB-CD2 4.31Å; L384-F386 HydrophobicContact CB-CE2 3.46Å; L384-F386 VanDerWaalsContact CB-CE2 3.46Å; L384-F386 HydrophobicContact CB-CZ 3.77Å; L384-F386 HydrophobicContact CD1-CZ 4.09Å; L384-F386 WeakPolarHBondContact O-CD2 3.19Å; L384-F386 WeakPolarHBondContact O-CE2 3.33Å; L384-C417 PolarHBondContact N-O 2.91Å; L384-C417 PolarHBondContact O-N 3.36Å; L384-V435 HydrophobicContact CD1-CG2 3.64Å; L384-I449 HydrophobicContact CD1-CG2 4.22Å; L384-V451 HydrophobicContact CD1-CG2 4.41Å; L384-V451 HydrophobicContact CG-CG2 4.41Å
385	A	98.9	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134	175.1	0	0	0	0	0	108.9	F291 S292 Y294 F340 L345 V415 R416	F291-A385 CarbonylContact C-O 3.56Å; F291-A385 WeakPolarHBondContact CA-O 3.46Å; F291-A385 VanDerWaalsContact CB-O 3.31Å; F291-A385 WeakPolarHBondContact CB-O 3.46Å; S292-A385 PolarHBondContact N-O 2.82Å; S292-A385 PolarHBondContact O-N 3Å; Y294-A385 HydrophobicContact CD1-CB 3.78Å; Y294-A385 HydrophobicContact CE1-CB 4.5Å; Y294-A385 HydrophobicContact CG-CB 4.36Å; F340-A385 HydrophobicContact CE1-CB 3.89Å; F340-A385 HydrophobicContact CE2-CB 4.29Å; F340-A385 HydrophobicContact CZ-CB 3.57Å; L345-A385 HydrophobicContact CD2-CB 4.06Å; A385-V415 CarbonylContact C-O 3.55Å; A385-V415 WeakPolarHBondContact CA-O 3.37Å; A385-R416 HydrophobicContact CB-CG 3.93Å
386	F	98.9	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.4	-171.3	-62.9	-101.5	0	0	0	111	M259 L289 H290 F291 L384 Q414 V415 C417 V435 F437	M259-F386 HydrophobicContact CE-CB 4.12Å; M259-F386 HydrophobicContact CE-CD1 3.4Å; M259-F386 HydrophobicContact CE-CD2 3.66Å; M259-F386 HydrophobicContact CE-CE1 3.6Å; M259-F386 HydrophobicContact CE-CE2 3.82Å; M259-F386 HydrophobicContact CE-CG 3.46Å; M259-F386 VanDerWaalsContact CE-CG 3.46Å; M259-F386 HydrophobicContact CE-CZ 3.81Å; M259-F386 HydrophobicContact CG-CB 3.96Å; M259-F386 HydrophobicContact CG-CG 4.35Å; M259-F386 HydrophobicContact SD-CG 4.46Å; L289-F386 HydrophobicContact CD1-CD1 4.39Å; L289-F386 HydrophobicContact CD2-CD1 4.48Å; H290-F386 VanDerWaalsContact O-CA 3.28Å; H290-F386 WeakPolarHBondContact O-CA 3.41Å; F291-F386 HydrophobicContact CB-CD1 3.39Å; F291-F386 HydrophobicContact CB-CD2 4.44Å; F291-F386 HydrophobicContact CB-CE1 3.54Å; F291-F386 HydrophobicContact CB-CG 3.86Å; F291-F386 HydrophobicContact CB-CZ 4.15Å; F291-F386 HydrophobicContact CD1-CD1 4.17Å; F291-F386 AromaticContact CD1-CE1 3.93Å; F291-F386 HydrophobicContact CD1-CE1 3.93Å; F291-F386 HydrophobicContact CD2-CE1 4.32Å; F291-F386 AromaticContact CG-CD1 3.97Å; F291-F386 HydrophobicContact CG-CD1 3.97Å; F291-F386 AromaticContact CG-CE1 3.67Å; F291-F386 HydrophobicContact CG-CE1 3.67Å; F291-F386 HydrophobicContact CG-CZ 4.34Å; L384-F386 HydrophobicContact CB-CD2 4.31Å; L384-F386 HydrophobicContact CB-CE2 3.46Å; L384-F386 VanDerWaalsContact CB-CE2 3.46Å; L384-F386 HydrophobicContact CB-CZ 3.77Å; L384-F386 HydrophobicContact CD1-CZ 4.09Å; L384-F386 WeakPolarHBondContact O-CD2 3.19Å; L384-F386 WeakPolarHBondContact O-CE2 3.33Å; F386-Q414 WeakPolarHBondContact O-CB 3.4Å; F386-V415 HydrophobicContact CB-CB 4.46Å; F386-V415 PolarHBondContact N-O 3.18Å; F386-V415 PolarHBondContact O-N 2.91Å; F386-C417 HydrophobicContact CE2-CB 3.91Å; F386-V435 HydrophobicContact CE1-CG1 4.17Å; F386-V435 HydrophobicContact CE1-CG2 4.3Å; F386-V435 HydrophobicContact CZ-CG1 4.15Å; F386-V435 HydrophobicContact CZ-CG2 4.13Å; F386-F437 HydrophobicContact CE1-CZ 4.33Å
387	W	98.9	Very high	97.9	Very high	16 Å²	16	34.5 Å²	34.5	6%	0.061	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	171.6	168.7	60.4	96.3	0	0	0	108.2	H290 L345 S349 T403 A404 P405 Q414	H290-W387 HydrophobicContact CB-CD2 3.79Å; H290-W387 HydrophobicContact CB-CG 4Å; H290-W387 HydrophobicContact CB-CZ2 3.77Å; H290-W387 AromaticContact CG-NE1 3.52Å; H290-W387 PolarHBondContact N-O 2.86Å; H290-W387 AromaticContact ND1-NE1 3.98Å; H290-W387 PolarHBondContact O-N 2.75Å; L345-W387 HydrophobicContact CD1-CH2 3.88Å; L345-W387 HydrophobicContact CD1-CZ3 4.24Å; L345-W387 HydrophobicContact CD2-CZ3 4.41Å; S349-W387 VanDerWaalsContact CB-CZ2 3.44Å; W387-T403 WeakPolarHBondContact CB-O 3.46Å; W387-A404 VanDerWaalsContact CD1-CA 3.43Å; W387-A404 HydrophobicContact CG-CB 4.35Å; W387-P405 HydrophobicContact CD2-CG 4.47Å; W387-P405 HydrophobicContact CE3-CG 4.34Å; W387-Q414 HydrophobicContact CB-CG 3.96Å
388	F	98.9	Very high	98.2	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.013	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	160.5	178.2	69.9	-94	0	0	0	112.9	M256 G257 L260 D288 L289 V390 L401 T403 W412	M256-F388 HydrophobicContact CB-CE2 3.76Å; M256-F388 HydrophobicContact CB-CZ 3.71Å; M256-F388 HydrophobicContact CE-CE2 4.33Å; M256-F388 HydrophobicContact CG-CD2 4.45Å; M256-F388 HydrophobicContact CG-CE2 3.82Å; M256-F388 HydrophobicContact CG-CZ 4.3Å; G257-F388 WeakPolarHBondContact O-CE1 3.43Å; L260-F388 HydrophobicContact CB-CB 3.72Å; L260-F388 HydrophobicContact CB-CD1 4.15Å; L260-F388 HydrophobicContact CB-CD2 4.44Å; L260-F388 HydrophobicContact CB-CG 3.86Å; L260-F388 HydrophobicContact CD1-CB 4.48Å; L260-F388 HydrophobicContact CD1-CD2 3.96Å; L260-F388 HydrophobicContact CD1-CE2 4.45Å; L260-F388 HydrophobicContact CD1-CG 4.24Å; L260-F388 HydrophobicContact CD2-CB 4.45Å; L260-F388 HydrophobicContact CG-CB 4.43Å; D288-F388 CarbonylContact O-C 3.6Å; D288-F388 WeakPolarHBondContact O-CA 3.49Å; D288-F388 WeakPolarHBondContact O-CB 3.22Å; L289-F388 HydrophobicContact CD1-CB 4.49Å; F388-V390 HydrophobicContact CD2-CG1 4.28Å; F388-L401 HydrophobicContact CE2-CD2 4.32Å; F388-T403 HydrophobicContact CD1-CG2 4.31Å; F388-T403 HydrophobicContact CD2-CG2 4.27Å; F388-T403 HydrophobicContact CE1-CG2 3.88Å; F388-T403 HydrophobicContact CE2-CG2 3.82Å; F388-T403 HydrophobicContact CG-CG2 4.5Å; F388-T403 HydrophobicContact CZ-CG2 3.62Å; F388-T403 PolarHBondContact N-OG1 3.34Å; F388-T403 WeakPolarHBondContact O-CB 3.38Å; F388-T403 PolarHBondContact O-N 3.38Å; F388-T403 PolarHBondContact O-OG1 2.8Å; F388-W412 HydrophobicContact CE1-CB 3.98Å; F388-W412 AromaticContact CE1-CD1 3.95Å; F388-W412 HydrophobicContact CE1-CD2 4.26Å; F388-W412 AromaticContact CE1-CG 3.8Å; F388-W412 HydrophobicContact CE1-CG 3.8Å; F388-W412 HydrophobicContact CZ-CB 4.26Å; F388-W412 AromaticContact CZ-CD1 3.88Å; F388-W412 AromaticContact CZ-CD2 3.65Å; F388-W412 HydrophobicContact CZ-CD2 3.65Å; F388-W412 AromaticContact CZ-CE2 3.83Å; F388-W412 HydrophobicContact CZ-CE3 4.14Å; F388-W412 AromaticContact CZ-CG 3.69Å; F388-W412 HydrophobicContact CZ-CG 3.69Å; F388-W412 HydrophobicContact CZ-CZ2 4.44Å; F388-W412 AromaticContact CZ-NE1 3.95Å
389	E	98.8	Very high	98.3	Very high	43 Å²	43	28.9 Å²	28.9	20%	0.201	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.2	172	-46.6	-169.8	141	0	0	108.2	G287 D288 H290 W400 L401 S402	G287-E389 CarbonylContact C-O 3.57Å; G287-E389 WeakPolarHBondContact CA-O 3.41Å; D288-E389 HydrophobicContact CB-CB 4.45Å; D288-E389 PolarHBondContact N-O 2.52Å; D288-E389 PolarHBondContact O-N 2.8Å; H290-E389 IonicContact NE2-OE2 2.75Å; E389-W400 HydrophobicContact CB-CE3 3.83Å; E389-W400 HydrophobicContact CB-CZ3 3.95Å; E389-L401 CarbonylContact C-O 3.52Å; E389-L401 VanDerWaalsContact CA-O 3.26Å; E389-L401 WeakPolarHBondContact CA-O 3.42Å; E389-S402 WeakPolarHBondContact CG-OG 3.19Å; E389-S402 WeakPolarHBondContact OE1-CB 3.34Å; E389-S402 PolarHBondContact OE1-OG 2.82Å
390	V	98.9	Very high	98.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.6	169.9	-62.8	0	0	0	0	109.3	M256 L260 P284 I286 F388 F392 W400 L401	M256-V390 HydrophobicContact CE-CG1 4.45Å; M256-V390 HydrophobicContact CE-CG2 3.92Å; M256-V390 HydrophobicContact CG-CG1 3.86Å; M256-V390 HydrophobicContact SD-CG1 3.99Å; M256-V390 HydrophobicContact SD-CG2 4.26Å; L260-V390 HydrophobicContact CD1-CG1 4.01Å; P284-V390 HydrophobicContact CB-CB 3.7Å; P284-V390 HydrophobicContact CB-CG1 4.38Å; P284-V390 HydrophobicContact CB-CG2 4.04Å; P284-V390 HydrophobicContact CG-CB 4.13Å; P284-V390 HydrophobicContact CG-CG1 4.31Å; P284-V390 HydrophobicContact CG-CG2 4.38Å; I286-V390 VanDerWaalsContact O-CA 3.29Å; I286-V390 WeakPolarHBondContact O-CA 3.27Å; I286-V390 WeakPolarHBondContact O-CB 3.4Å; F388-V390 HydrophobicContact CD2-CG1 4.28Å; V390-F392 HydrophobicContact CG2-CE2 4.28Å; V390-F392 HydrophobicContact CG2-CZ 4.23Å; V390-W400 WeakPolarHBondContact O-CA 3.49Å; V390-L401 HydrophobicContact CG2-CB 3.83Å; V390-L401 HydrophobicContact CG2-CD2 4.14Å; V390-L401 HydrophobicContact CG2-CG 4.47Å; V390-L401 PolarHBondContact N-O 2.62Å; V390-L401 PolarHBondContact O-N 3.19Å
391	A	98.8	Very high	98.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.7	178.8	0	0	0	0	0	111	S285 I286 F393 T398 V399 W400	S285-A391 PolarHBondContact N-O 2.74Å; I286-A391 HydrophobicContact CD1-CB 4.1Å; I286-A391 HydrophobicContact CG1-CB 3.61Å; I286-A391 PolarHBondContact N-O 3.18Å; I286-A391 PolarHBondContact O-N 2.91Å; A391-F393 HydrophobicContact CB-CD1 4.01Å; A391-F393 HydrophobicContact CB-CE1 3.53Å; A391-F393 HydrophobicContact CB-CZ 4.21Å; A391-T398 HydrophobicContact CB-CG2 4.29Å; A391-V399 CarbonylContact C-O 3.49Å; A391-V399 WeakPolarHBondContact CA-O 3.26Å; A391-W400 HydrophobicContact CB-CD2 3.62Å; A391-W400 HydrophobicContact CB-CE3 3.7Å; A391-W400 HydrophobicContact CB-CG 4.34Å; A391-W400 HydrophobicContact CB-CH2 3.76Å; A391-W400 HydrophobicContact CB-CZ2 3.64Å; A391-W400 HydrophobicContact CB-CZ3 3.78Å
392	F	98.7	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	100	173.3	-53.3	-88.9	0	0	0	107.9	T168 Y169 A172 Y283 P284 V390 G394 T398 V399 L401	T168-F392 HydrophobicContact CG2-CE2 4.41Å; Y169-F392 AromaticContact CD1-CE1 3.88Å; Y169-F392 HydrophobicContact CD1-CE1 3.88Å; Y169-F392 AromaticContact CD1-CZ 3.94Å; Y169-F392 HydrophobicContact CD1-CZ 3.94Å; Y169-F392 HydrophobicContact CD2-CZ 4.23Å; Y169-F392 AromaticContact CE1-CE1 3.54Å; Y169-F392 HydrophobicContact CE1-CE1 3.54Å; Y169-F392 AromaticContact CE1-CZ 3.7Å; Y169-F392 HydrophobicContact CE1-CZ 3.7Å; Y169-F392 AromaticContact CE2-CZ 3.99Å; Y169-F392 HydrophobicContact CE2-CZ 3.99Å; Y169-F392 HydrophobicContact CG-CZ 4.21Å; Y169-F392 AromaticContact CZ-CE1 3.96Å; Y169-F392 AromaticContact CZ-CZ 3.71Å; A172-F392 HydrophobicContact CB-CB 3.82Å; A172-F392 HydrophobicContact CB-CD1 4.02Å; A172-F392 HydrophobicContact CB-CD2 3.62Å; A172-F392 HydrophobicContact CB-CE2 4.19Å; A172-F392 HydrophobicContact CB-CG 3.54Å; Y283-F392 HydrophobicContact CD1-CB 3.96Å; Y283-F392 AromaticContact CD1-CD1 3.46Å; Y283-F392 HydrophobicContact CD1-CD1 3.46Å; Y283-F392 VanDerWaalsContact CD1-CD1 3.46Å; Y283-F392 HydrophobicContact CD1-CE1 4.37Å; Y283-F392 HydrophobicContact CD1-CG 4.09Å; Y283-F392 HydrophobicContact CE1-CB 3.91Å; Y283-F392 HydrophobicContact CE1-CD1 4.26Å; Y283-F392 HydrophobicContact CE1-CG 4.46Å; Y283-F392 AromaticContact CG-CD1 3.88Å; Y283-F392 HydrophobicContact CG-CD1 3.88Å; P284-F392 HydrophobicContact CB-CD1 4.14Å; P284-F392 HydrophobicContact CB-CE1 3.9Å; P284-F392 HydrophobicContact CB-CZ 4.33Å; V390-F392 HydrophobicContact CG2-CE2 4.28Å; V390-F392 HydrophobicContact CG2-CZ 4.23Å; F392-G394 VanDerWaalsContact C-N 3.27Å; F392-G394 PolarHBondContact O-N 3.11Å; F392-T398 WeakPolarHBondContact O-CA 3.47Å; F392-V399 HydrophobicContact CB-CB 4.48Å; F392-V399 HydrophobicContact CD2-CB 4.23Å; F392-V399 HydrophobicContact CD2-CG1 4.38Å; F392-V399 WeakPolarHBondContact CD2-O 3.35Å; F392-V399 PolarHBondContact N-O 3.13Å; F392-V399 PolarHBondContact O-N 2.79Å; F392-L401 HydrophobicContact CE2-CB 4.16Å
393	F	98.5	Very high	98.6	Very high	81 Å²	81	28.4 Å²	28.4	36%	0.355	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	73.9	178.2	-62.7	-21.8	0	0	0	110.6	K281 S285 I286 A391 T398	K281-F393 PolarHBondContact NZ-O 3.25Å; S285-F393 PolarHBondContact OG-N 3.12Å; I286-F393 HydrophobicContact CB-CE2 4.45Å; I286-F393 HydrophobicContact CD1-CE1 4.27Å; I286-F393 HydrophobicContact CD1-CE2 4.18Å; I286-F393 HydrophobicContact CD1-CZ 3.51Å; I286-F393 HydrophobicContact CG1-CE1 4.29Å; I286-F393 HydrophobicContact CG1-CE2 4.08Å; I286-F393 HydrophobicContact CG1-CZ 3.69Å; I286-F393 HydrophobicContact CG2-CD2 4.25Å; I286-F393 HydrophobicContact CG2-CE2 3.5Å; I286-F393 HydrophobicContact CG2-CZ 3.99Å; A391-F393 HydrophobicContact CB-CD1 4.01Å; A391-F393 HydrophobicContact CB-CE1 3.53Å; A391-F393 HydrophobicContact CB-CZ 4.21Å; F393-T398 HydrophobicContact CD1-CG2 3.7Å; F393-T398 HydrophobicContact CE1-CG2 3.86Å
394	G	97.9	Very high	98.6	Very high	14 Å²	14	28.6 Å²	28.6	14%	0.144	15%	0.152	C	C	.	.			trans	-74.9	169.3	177.7	0	0	0	0	0	113.8	N176 D179 Y283 F392 C396 E397	N176-G394 VanDerWaalsContact CG-CA 3.44Å; N176-G394 VanDerWaalsContact OD1-C 3.28Å; N176-G394 VanDerWaalsContact OD1-CA 3.23Å; N176-G394 WeakPolarHBondContact OD1-CA 3.46Å; D179-G394 WeakPolarHBondContact OD2-CA 3.46Å; Y283-G394 WeakPolarHBondContact OH-CA 3.35Å; F392-G394 VanDerWaalsContact C-N 3.27Å; F392-G394 PolarHBondContact O-N 3.11Å; G394-C396 VanDerWaalsContact C-N 3.25Å; G394-C396 PolarHBondContact O-N 3.16Å; G394-E397 PolarHBondContact N-O 2.83Å
395	S	97.9	Very high	98.5	Very high	63 Å²	63	29.6 Å²	29.6	44%	0.441	16%	0.159	S	C	.	.	S	Bend	trans	-70.7	-20.4	-179.4	-64.6	0	0	0	0	113.8	N176 D179 K281	N176-S395 PolarHBondContact OD1-N 3.34Å; D179-S395 VanDerWaalsContact OD1-CB 3.26Å; D179-S395 WeakPolarHBondContact OD1-CB 3.14Å; D179-S395 PolarHBondContact OD1-OG 2.78Å; D179-S395 PolarHBondContact OD2-N 3.45Å; K281-S395 VanDerWaalsContact CE-OG 3.23Å; K281-S395 WeakPolarHBondContact CE-OG 3.3Å; K281-S395 PolarHBondContact NZ-OG 3.35Å
396	C	97.9	Very high	98.4	Very high	61 Å²	61	33.7 Å²	33.7	41%	0.412	19%	0.187	S	C	.	.	S	Bend	trans	-106.9	-49.2	-179.2	-52.7	0	0	0	0	112.1	L175 N176 G394	L175-C396 WeakPolarHBondContact O-CB 3.19Å; N176-C396 WeakPolarHBondContact OD1-CA 3.48Å; N176-C396 PolarHBondContact OD1-N 3.03Å; G394-C396 VanDerWaalsContact C-N 3.25Å; G394-C396 PolarHBondContact O-N 3.16Å
397	E	97.9	Very high	98.3	Very high	115 Å²	115	38.6 Å²	38.6	54%	0.537	21%	0.21	S	C	.	.			trans	-142	144.2	-170.5	-74	-69.8	166.8	0	0	111.4	L175 N176 G394	L175-E397 HydrophobicContact CB-CB 4.29Å; N176-E397 PolarHBondContact ND2-O 3.47Å; N176-E397 PolarHBondContact OD1-N 2.9Å; N176-E397 PolarHBondContact OD1-O 2.91Å; N176-E397 VanDerWaalsContact OD1-O 3.14Å; G394-E397 PolarHBondContact N-O 2.83Å
398	T	98.6	Very high	98.1	Very high	66 Å²	66	41.7 Å²	41.7	41%	0.405	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125	167.6	-65.3	0	0	0	0	109.7	A391 F392 F393	A391-T398 HydrophobicContact CB-CG2 4.29Å; F392-T398 WeakPolarHBondContact O-CA 3.47Å; F393-T398 HydrophobicContact CD1-CG2 3.7Å; F393-T398 HydrophobicContact CE1-CG2 3.86Å
399	V	98.7	Very high	98	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.055	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.4	173.9	-179.7	0	0	0	0	109.5	T168 A172 L175 A391 F392	T168-V399 HydrophobicContact CG2-CG1 3.77Å; A172-V399 HydrophobicContact CB-CB 3.95Å; A172-V399 HydrophobicContact CB-CG1 4.1Å; A172-V399 HydrophobicContact CB-CG2 4.3Å; L175-V399 HydrophobicContact CD1-CG2 3.93Å; A391-V399 CarbonylContact C-O 3.49Å; A391-V399 WeakPolarHBondContact CA-O 3.26Å; F392-V399 HydrophobicContact CB-CB 4.48Å; F392-V399 HydrophobicContact CD2-CB 4.23Å; F392-V399 HydrophobicContact CD2-CG1 4.38Å; F392-V399 WeakPolarHBondContact CD2-O 3.35Å; F392-V399 PolarHBondContact N-O 3.13Å; F392-V399 PolarHBondContact O-N 2.79Å
400	W	98.7	Very high	98	Very high	107 Å²	107	42.8 Å²	42.8	41%	0.405	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134	176.7	-71.6	85.2	0	0	0	110.7	T168 I286 D288 E389 V390 A391	T168-W400 WeakPolarHBondContact CG2-O 3.32Å; I286-W400 HydrophobicContact CD1-CH2 3.73Å; I286-W400 HydrophobicContact CD1-CZ2 4.39Å; I286-W400 HydrophobicContact CD1-CZ3 4.38Å; D288-W400 WeakPolarHBondContact OD2-CH2 3.5Å; E389-W400 HydrophobicContact CB-CE3 3.83Å; E389-W400 HydrophobicContact CB-CZ3 3.95Å; V390-W400 WeakPolarHBondContact O-CA 3.49Å; A391-W400 HydrophobicContact CB-CD2 3.62Å; A391-W400 HydrophobicContact CB-CE3 3.7Å; A391-W400 HydrophobicContact CB-CG 4.34Å; A391-W400 HydrophobicContact CB-CH2 3.76Å; A391-W400 HydrophobicContact CB-CZ2 3.64Å; A391-W400 HydrophobicContact CB-CZ3 3.78Å
401	L	98.7	Very high	97.8	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.4	161.4	178	154.8	0	0	0	106.7	T168 Y169 M256 F388 E389 V390 F392 T403 W412	T168-L401 HydrophobicContact CG2-CB 3.74Å; T168-L401 HydrophobicContact CG2-CG 4.46Å; Y169-L401 HydrophobicContact CD2-CD1 4.08Å; Y169-L401 HydrophobicContact CE2-CD1 3.93Å; M256-L401 HydrophobicContact CE-CD2 4.38Å; F388-L401 HydrophobicContact CE2-CD2 4.32Å; E389-L401 CarbonylContact C-O 3.52Å; E389-L401 VanDerWaalsContact CA-O 3.26Å; E389-L401 WeakPolarHBondContact CA-O 3.42Å; V390-L401 HydrophobicContact CG2-CB 3.83Å; V390-L401 HydrophobicContact CG2-CD2 4.14Å; V390-L401 HydrophobicContact CG2-CG 4.47Å; V390-L401 PolarHBondContact N-O 2.62Å; V390-L401 PolarHBondContact O-N 3.19Å; F392-L401 HydrophobicContact CE2-CB 4.16Å; L401-T403 HydrophobicContact CD2-CG2 4.26Å; L401-W412 HydrophobicContact CD1-CH2 4.36Å; L401-W412 HydrophobicContact CD1-CZ3 4.31Å; L401-W412 HydrophobicContact CD2-CH2 4.38Å; L401-W412 HydrophobicContact CD2-CZ3 3.97Å
402	S	98.7	Very high	97.7	Very high	17 Å²	17	45.8 Å²	45.8	12%	0.119	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.9	179.7	-179.6	0	0	0	0	110.8	E389 A404	E389-S402 WeakPolarHBondContact CG-OG 3.19Å; E389-S402 WeakPolarHBondContact OE1-CB 3.34Å; E389-S402 PolarHBondContact OE1-OG 2.82Å; S402-A404 VanDerWaalsContact OG-CB 3.28Å; S402-A404 WeakPolarHBondContact OG-CB 3.26Å; S402-A404 PolarHBondContact OG-N 3.24Å; S402-A404 VanDerWaalsContact OG-N 3.08Å
403	T	98.7	Very high	97.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	26%	0.26	C	S	.	.			trans	-110.9	18.2	169.6	66.1	0	0	0	0	111.1	W387 F388 L401 T410 W412 Q414	W387-T403 WeakPolarHBondContact CB-O 3.46Å; F388-T403 HydrophobicContact CD1-CG2 4.31Å; F388-T403 HydrophobicContact CD2-CG2 4.27Å; F388-T403 HydrophobicContact CE1-CG2 3.88Å; F388-T403 HydrophobicContact CE2-CG2 3.82Å; F388-T403 HydrophobicContact CG-CG2 4.5Å; F388-T403 HydrophobicContact CZ-CG2 3.62Å; F388-T403 PolarHBondContact N-OG1 3.34Å; F388-T403 WeakPolarHBondContact O-CB 3.38Å; F388-T403 PolarHBondContact O-N 3.38Å; F388-T403 PolarHBondContact O-OG1 2.8Å; L401-T403 HydrophobicContact CD2-CG2 4.26Å; T403-T410 HydrophobicContact CG2-CG2 4.36Å; T403-W412 HydrophobicContact CG2-CB 4.22Å; T403-W412 HydrophobicContact CG2-CD2 4.32Å; T403-W412 HydrophobicContact CG2-CE3 3.8Å; T403-Q414 PolarHBondContact O-NE2 3.42Å
404	A	98.5	Very high	97.7	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.033	24%	0.244	C	C	.	.			trans	-59.9	146.8	-179.7	0	0	0	0	0	111.6	W387 S402 S406 E407	W387-A404 VanDerWaalsContact CD1-CA 3.43Å; W387-A404 HydrophobicContact CG-CB 4.35Å; S402-A404 VanDerWaalsContact OG-CB 3.28Å; S402-A404 WeakPolarHBondContact OG-CB 3.26Å; S402-A404 PolarHBondContact OG-N 3.24Å; S402-A404 VanDerWaalsContact OG-N 3.08Å; A404-S406 PolarHBondContact O-N 3.48Å; A404-E407 HydrophobicContact CB-CG 4.16Å; A404-E407 WeakPolarHBondContact O-CB 3.36Å; A404-E407 PolarHBondContact O-N 3.22Å
405	P	97.5	Very high	97.7	Very high	21 Å²	21	43.3 Å²	43.3	14%	0.136	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-7.1	177.6	27.3	-35.5	0	0	0	114	F340 T342 W387 Q414	F340-P405 HydrophobicContact CD2-CB 4.19Å; F340-P405 HydrophobicContact CE2-CB 3.7Å; F340-P405 HydrophobicContact CE2-CG 3.68Å; F340-P405 HydrophobicContact CZ-CB 4.03Å; F340-P405 HydrophobicContact CZ-CG 3.94Å; T342-P405 HydrophobicContact CG2-CB 4.11Å; T342-P405 HydrophobicContact CG2-CG 4.06Å; W387-P405 HydrophobicContact CD2-CG 4.47Å; W387-P405 HydrophobicContact CE3-CG 4.34Å; P405-Q414 HydrophobicContact CB-CG 4.25Å
406	S	95.6	Very high	97.7	Very high	86 Å²	86	40.4 Å²	40.4	60%	0.601	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-11.4	171.3	51.8	0	0	0	0	113.8	A404	A404-S406 PolarHBondContact O-N 3.48Å
407	E	97	Very high	97.8	Very high	102 Å²	102	37.5 Å²	37.5	48%	0.477	20%	0.197	S	C	.	.	S	Bend	trans	-101.7	164.5	-176	-67.3	-60.2	139.4	0	0	111.4	A404 L409	A404-E407 HydrophobicContact CB-CG 4.16Å; A404-E407 WeakPolarHBondContact O-CB 3.36Å; A404-E407 PolarHBondContact O-N 3.22Å; E407-L409 PolarHBondContact O-N 3.05Å
408	P	96.3	Very high	97.8	Very high	82 Å²	82	32.1 Å²	32.1	53%	0.532	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-52.9	140	172.7	-26.8	36.2	0	0	0	112.1	V164 T410	V164-P408 HydrophobicContact CG2-CB 3.98Å; P408-T410 PolarHBondContact O-N 3.48Å
409	L	96.3	Very high	97.8	Very high	64 Å²	64	29 Å²	29	34%	0.335	15%	0.153	S	C	.	.	P	Polyproline II helix	trans	-65.1	136.4	-173.9	-168	62.9	0	0	0	111.8	T339 E407 Y413 Y471	T339-L409 HydrophobicContact CG2-CD1 4.03Å; T339-L409 HydrophobicContact CG2-CD2 4.22Å; E407-L409 PolarHBondContact O-N 3.05Å; L409-Y413 HydrophobicContact CD1-CD1 3.82Å; L409-Y413 HydrophobicContact CD1-CE1 4.43Å; L409-Y413 HydrophobicContact CD2-CD1 4.02Å; L409-Y413 HydrophobicContact CD2-CE1 3.82Å; L409-Y413 HydrophobicContact CG-CD1 4.18Å; L409-Y413 HydrophobicContact CG-CE1 4.31Å; L409-Y471 HydrophobicContact CD2-CE2 3.76Å
410	T	97.3	Very high	97.7	Very high	5 Å²	5	32 Å²	32	3%	0.031	16%	0.164	C	C	.	.			trans	-112.5	167.4	172.8	66.3	0	0	0	0	110	D162 V164 T403 P408 W412 Y413	D162-T410 WeakPolarHBondContact OD2-CA 3.46Å; D162-T410 WeakPolarHBondContact OD2-CB 3.37Å; V164-T410 HydrophobicContact CB-CG2 4.02Å; V164-T410 HydrophobicContact CG1-CG2 3.82Å; T403-T410 HydrophobicContact CG2-CG2 4.36Å; P408-T410 PolarHBondContact O-N 3.48Å; T410-W412 HydrophobicContact CG2-CE3 4.32Å; T410-W412 PolarHBondContact O-N 3.3Å; T410-Y413 PolarHBondContact O-N 3.19Å; T410-Y413 VanDerWaalsContact O-N 3.07Å
411	H	94.9	Very high	97.6	Very high	54 Å²	54	30.5 Å²	30.5	25%	0.25	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.4	176.8	77.3	-71.4	0	0	0	113.8	D162 R165 Y413	D162-H411 IonicContact OD2-CE1 2.74Å; D162-H411 IonicContact OD2-CG 3.47Å; D162-H411 PolarHBondContact OD2-N 3.16Å; D162-H411 IonicContact OD2-ND1 3.66Å; D162-H411 PolarHBondContact OD2-ND1 3.43Å; R165-H411 PolarHBondContact NH1-CE1 3.03Å; R165-H411 PolarHBondContact NH1-NE2 3.48Å; H411-Y413 VanDerWaalsContact C-N 3.28Å; H411-Y413 WeakPolarHBondContact O-CD2 3.45Å; H411-Y413 VanDerWaalsContact O-CE2 3.23Å; H411-Y413 WeakPolarHBondContact O-CE2 3.11Å
412	W	97.5	Very high	97.5	Very high	8 Å²	8	32.1 Å²	32.1	3%	0.03	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.4	173	-66.7	-75.4	0	0	0	113	R165 E254 M256 Y258 F388 L401 T403 T410	R165-W412 HydrophobicContact CB-CH2 3.99Å; R165-W412 HydrophobicContact CB-CZ3 3.88Å; R165-W412 HydrophobicContact CG-CH2 3.69Å; R165-W412 HydrophobicContact CG-CZ3 4.13Å; E254-W412 HydrophobicContact CG-CH2 4.46Å; E254-W412 HydrophobicContact CG-CZ2 4.25Å; E254-W412 WeakPolarHBondContact OE1-CZ2 3.16Å; M256-W412 HydrophobicContact CB-CZ2 4.31Å; M256-W412 HydrophobicContact CE-CH2 3.92Å; M256-W412 HydrophobicContact CE-CZ2 3.94Å; M256-W412 PolarHBondContact O-NE1 3.43Å; Y258-W412 WeakPolarHBondContact CD1-O 3.23Å; F388-W412 HydrophobicContact CE1-CB 3.98Å; F388-W412 AromaticContact CE1-CD1 3.95Å; F388-W412 HydrophobicContact CE1-CD2 4.26Å; F388-W412 AromaticContact CE1-CG 3.8Å; F388-W412 HydrophobicContact CE1-CG 3.8Å; F388-W412 HydrophobicContact CZ-CB 4.26Å; F388-W412 AromaticContact CZ-CD1 3.88Å; F388-W412 AromaticContact CZ-CD2 3.65Å; F388-W412 HydrophobicContact CZ-CD2 3.65Å; F388-W412 AromaticContact CZ-CE2 3.83Å; F388-W412 HydrophobicContact CZ-CE3 4.14Å; F388-W412 AromaticContact CZ-CG 3.69Å; F388-W412 HydrophobicContact CZ-CG 3.69Å; F388-W412 HydrophobicContact CZ-CZ2 4.44Å; F388-W412 AromaticContact CZ-NE1 3.95Å; L401-W412 HydrophobicContact CD1-CH2 4.36Å; L401-W412 HydrophobicContact CD1-CZ3 4.31Å; L401-W412 HydrophobicContact CD2-CH2 4.38Å; L401-W412 HydrophobicContact CD2-CZ3 3.97Å; T403-W412 HydrophobicContact CG2-CB 4.22Å; T403-W412 HydrophobicContact CG2-CD2 4.32Å; T403-W412 HydrophobicContact CG2-CE3 3.8Å; T410-W412 HydrophobicContact CG2-CE3 4.32Å; T410-W412 PolarHBondContact O-N 3.3Å
413	Y	97.6	Very high	97.5	Very high	37 Å²	37	31.6 Å²	31.6	15%	0.145	18%	0.175	C	C	.	.			trans	49.5	-146.4	-170.8	-55.3	-90.8	0	0	0	111.1	V337 D338 L409 T410 H411 Y471	V337-Y413 HydrophobicContact CG1-CD2 3.88Å; V337-Y413 HydrophobicContact CG1-CG 4.24Å; D338-Y413 WeakPolarHBondContact O-CB 3.49Å; L409-Y413 HydrophobicContact CD1-CD1 3.82Å; L409-Y413 HydrophobicContact CD1-CE1 4.43Å; L409-Y413 HydrophobicContact CD2-CD1 4.02Å; L409-Y413 HydrophobicContact CD2-CE1 3.82Å; L409-Y413 HydrophobicContact CG-CD1 4.18Å; L409-Y413 HydrophobicContact CG-CE1 4.31Å; T410-Y413 PolarHBondContact O-N 3.19Å; T410-Y413 VanDerWaalsContact O-N 3.07Å; H411-Y413 VanDerWaalsContact C-N 3.28Å; H411-Y413 WeakPolarHBondContact O-CD2 3.45Å; H411-Y413 VanDerWaalsContact O-CE2 3.23Å; H411-Y413 WeakPolarHBondContact O-CE2 3.11Å; Y413-Y471 HydrophobicContact CD1-CD1 4.43Å; Y413-Y471 HydrophobicContact CD1-CD2 4.06Å; Y413-Y471 AromaticContact CD1-CG 3.94Å; Y413-Y471 HydrophobicContact CD1-CG 3.94Å; Y413-Y471 AromaticContact CE1-CD1 3.37Å; Y413-Y471 HydrophobicContact CE1-CD1 3.37Å; Y413-Y471 AromaticContact CE1-CD2 3.69Å; Y413-Y471 HydrophobicContact CE1-CD2 3.69Å; Y413-Y471 AromaticContact CE1-CE1 3.78Å; Y413-Y471 HydrophobicContact CE1-CE1 3.78Å; Y413-Y471 HydrophobicContact CE1-CE2 4.08Å; Y413-Y471 AromaticContact CE1-CG 3.29Å; Y413-Y471 HydrophobicContact CE1-CG 3.29Å; Y413-Y471 AromaticContact CZ-CD1 3.7Å; Y413-Y471 AromaticContact CZ-CG 3.98Å; Y413-Y471 WeakPolarHBondContact OH-CD1 3.16Å
414	Q	98.6	Very high	97.4	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.019	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	169.2	164.7	-64.9	80.2	49.2	0	0	108.6	D338 T339 F340 F386 W387 T403 P405	D338-Q414 PolarHBondContact N-O 3.45Å; D338-Q414 CarbonylContact O-C 3.57Å; D338-Q414 WeakPolarHBondContact O-CA 3.46Å; D338-Q414 PolarHBondContact O-N 3.34Å; T339-Q414 VanDerWaalsContact CA-OE1 3.31Å; T339-Q414 PolarHBondContact OG1-OE1 2.7Å; F340-Q414 HydrophobicContact CD1-CB 4.26Å; F340-Q414 HydrophobicContact CE1-CB 3.48Å; F340-Q414 VanDerWaalsContact CE1-CB 3.48Å; F340-Q414 HydrophobicContact CE1-CG 4.11Å; F340-Q414 HydrophobicContact CZ-CB 4.08Å; F340-Q414 HydrophobicContact CZ-CG 4.29Å; F386-Q414 WeakPolarHBondContact O-CB 3.4Å; W387-Q414 HydrophobicContact CB-CG 3.96Å; T403-Q414 PolarHBondContact O-NE2 3.42Å; P405-Q414 HydrophobicContact CB-CG 4.25Å
415	V	98.8	Very high	97.4	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	132.6	-179.3	-175.1	0	0	0	0	110.4	Y258 M259 P335 V336 V337 A385 F386	Y258-V415 HydrophobicContact CD1-CG2 4.46Å; M259-V415 HydrophobicContact CG-CB 3.61Å; M259-V415 HydrophobicContact CG-CG1 3.86Å; M259-V415 HydrophobicContact CG-CG2 3.75Å; M259-V415 HydrophobicContact SD-CB 4.18Å; M259-V415 HydrophobicContact SD-CG1 3.76Å; P335-V415 HydrophobicContact CB-CG1 3.52Å; V336-V415 CarbonylContact O-C 3.57Å; V336-V415 WeakPolarHBondContact O-CA 3.32Å; V337-V415 HydrophobicContact CG2-CG2 4.23Å; A385-V415 CarbonylContact C-O 3.55Å; A385-V415 WeakPolarHBondContact CA-O 3.37Å; F386-V415 HydrophobicContact CB-CB 4.46Å; F386-V415 PolarHBondContact N-O 3.18Å; F386-V415 PolarHBondContact O-N 2.91Å
416	R	98.8	Very high	97.4	Very high	2 Å²	2	38 Å²	38	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.1	177.4	-66.2	-174.5	-76.3	164.5	0.5	110.6	Y294 D296 L299 V336 D338 F340 A385	Y294-R416 HydrophobicContact CE1-CB 3.88Å; Y294-R416 HydrophobicContact CE1-CG 4.15Å; D296-R416 IonicContact OD2-CZ 2.8Å; D296-R416 IonicContact OD2-NH1 3.56Å; D296-R416 PolarHBondContact OD2-NH1 3Å; D296-R416 IonicContact OD2-NH2 3.52Å; L299-R416 HydrophobicContact CD2-CB 4.41Å; V336-R416 HydrophobicContact CB-CB 4.36Å; V336-R416 PolarHBondContact N-O 2.68Å; V336-R416 PolarHBondContact O-N 2.74Å; D338-R416 IonicContact OD1-CZ 2.77Å; D338-R416 VanDerWaalsContact OD1-CZ 3.25Å; D338-R416 IonicContact OD1-NE 3.4Å; D338-R416 PolarHBondContact OD1-NE 3.23Å; D338-R416 IonicContact OD1-NH2 3.18Å; D338-R416 PolarHBondContact OD1-NH2 3Å; D338-R416 IonicContact OD2-CZ 3.74Å; D338-R416 IonicContact OD2-NH2 3.25Å; D338-R416 PolarHBondContact OD2-NH2 2.67Å; F340-R416 VanDerWaalsContact CD1-CD 3.47Å; F340-R416 HydrophobicContact CD1-CG 3.91Å; F340-R416 HydrophobicContact CE1-CG 3.8Å; A385-R416 HydrophobicContact CB-CG 3.93Å
417	C	98.8	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114	176.1	-60.4	0	0	0	0	108.8	G383 L384 F386 I449 L462	G383-C417 CarbonylContact C-O 3.57Å; G383-C417 WeakPolarHBondContact CA-O 3.43Å; L384-C417 PolarHBondContact N-O 2.91Å; L384-C417 PolarHBondContact O-N 3.36Å; F386-C417 HydrophobicContact CE2-CB 3.91Å; C417-I449 HydrophobicContact CB-CD1 4.13Å; C417-L462 HydrophobicContact CB-CD1 3.89Å; C417-L462 HydrophobicContact CB-CD2 3.51Å; C417-L462 HydrophobicContact CB-CG 4.36Å
418	Q	98.6	Very high	97.4	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	146	-178.5	-68.3	179.4	88.7	0	0	111.2	Y294 L299 T303 F332 H382 N460	Y294-Q418 VanDerWaalsContact OH-CG 3.31Å; Y294-Q418 WeakPolarHBondContact OH-CG 3.32Å; L299-Q418 HydrophobicContact CD2-CG 4.37Å; T303-Q418 PolarHBondContact OG1-NE2 3.17Å; T303-Q418 PolarHBondContact OG1-OE1 3.27Å; F332-Q418 HydrophobicContact CD1-CB 3.84Å; F332-Q418 HydrophobicContact CE1-CB 4.21Å; H382-Q418 CarbonylContact O-C 3.49Å; H382-Q418 WeakPolarHBondContact O-CA 3.46Å; Q418-N460 PolarHBondContact O-ND2 2.95Å
419	L	98.3	Very high	97.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	146.3	162.9	-68.8	171.8	0	0	0	109.2	I381 H382 S421 I423 I449 V451	I381-L419 HydrophobicContact CG2-CD1 4.17Å; H382-L419 PolarHBondContact O-N 3.31Å; L419-S421 VanDerWaalsContact C-N 3.26Å; L419-S421 PolarHBondContact O-N 3.09Å; L419-I423 HydrophobicContact CD1-CD1 4.31Å; L419-I423 HydrophobicContact CD1-CG1 4.28Å; L419-I449 HydrophobicContact CD2-CD1 3.77Å; L419-I449 HydrophobicContact CD2-CG1 4.17Å; L419-I449 HydrophobicContact CG-CD1 4.48Å; L419-V451 HydrophobicContact CD1-CB 4.15Å; L419-V451 HydrophobicContact CD1-CG1 4.46Å; L419-V451 HydrophobicContact CD1-CG2 4.21Å; L419-V451 HydrophobicContact CD2-CB 4.16Å; L419-V451 HydrophobicContact CD2-CG2 3.8Å; L419-V451 HydrophobicContact CG-CG2 4.48Å
420	R	96.2	Very high	97.6	Very high	74 Å²	74	38.1 Å²	38.1	28%	0.279	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	-34.1	174.4	-68	-160.8	71.4	-166.7	-0.1	112.4	Y300 E325 S328 F332 N460	Y300-R420 PolarHBondContact OH-O 2.77Å; E325-R420 VanDerWaalsContact CD-NH2 3.29Å; E325-R420 IonicContact OE1-CZ 2.87Å; E325-R420 VanDerWaalsContact OE1-CZ 3.24Å; E325-R420 IonicContact OE1-NH1 2.68Å; E325-R420 PolarHBondContact OE1-NH1 3.41Å; E325-R420 IonicContact OE1-NH2 2.85Å; E325-R420 PolarHBondContact OE1-NH2 2.91Å; E325-R420 IonicContact OE2-NH2 3.81Å; E325-R420 PolarHBondContact OE2-NH2 2.86Å; S328-R420 PolarHBondContact OG-NH2 2.95Å; F332-R420 HydrophobicContact CB-CG 4.33Å; R420-N460 HydrophobicContact CG-CB 4.21Å; R420-N460 WeakPolarHBondContact CG-OD1 3.1Å
421	S	96.6	Very high	97.6	Very high	75 Å²	75	37.9 Å²	37.9	52%	0.524	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.8	176.1	-62	0	0	0	0	108.8	L419 S458	L419-S421 VanDerWaalsContact C-N 3.26Å; L419-S421 PolarHBondContact O-N 3.09Å; S421-S458 PolarHBondContact N-OG 2.93Å; S421-S458 WeakPolarHBondContact O-CB 3.29Å; S421-S458 PolarHBondContact O-OG 3.09Å
422	P	98	Very high	97.8	Very high	34 Å²	34	37.9 Å²	37.9	22%	0.221	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	145.1	177	-25.5	34.9	0	0	0	111.7	Y300 Y380 I381	Y300-P422 HydrophobicContact CD1-CG 4.14Å; Y300-P422 HydrophobicContact CD2-CG 3.83Å; Y300-P422 HydrophobicContact CE1-CG 3.83Å; Y300-P422 HydrophobicContact CE2-CG 3.48Å; Y300-P422 VanDerWaalsContact CE2-CG 3.48Å; Y300-P422 HydrophobicContact CG-CG 4.15Å; Y300-P422 VanDerWaalsContact CZ-CG 3.5Å; Y300-P422 VanDerWaalsContact OH-CD 3.27Å; Y300-P422 WeakPolarHBondContact OH-CD 3.39Å; Y380-P422 HydrophobicContact CD1-CB 4.16Å; I381-P422 VanDerWaalsContact O-CA 3.23Å; I381-P422 WeakPolarHBondContact O-CA 3.14Å; I381-P422 WeakPolarHBondContact O-CB 3.16Å
423	I	97.4	Very high	97.8	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.9	180	-55	176	0	0	0	109.4	Y380 I381 L419 G425 V451 C453	Y380-I423 CarbonylContact C-O 3.58Å; Y380-I423 WeakPolarHBondContact CA-O 3.42Å; I381-I423 PolarHBondContact N-O 2.84Å; I381-I423 PolarHBondContact O-N 3.43Å; I381-I423 VanDerWaalsContact O-N 3.09Å; L419-I423 HydrophobicContact CD1-CD1 4.31Å; L419-I423 HydrophobicContact CD1-CG1 4.28Å; I423-G425 PolarHBondContact O-N 2.88Å; I423-V451 HydrophobicContact CD1-CB 4.11Å; I423-V451 HydrophobicContact CD1-CG1 4Å; I423-V451 WeakPolarHBondContact CD1-O 3.31Å; I423-C453 HydrophobicContact CG2-CB 3.87Å
424	F	97.7	Very high	97.9	Very high	92 Å²	92	38.4 Å²	38.4	40%	0.404	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.5	173.8	-169.5	-93.6	0	0	0	111.2	T378 Y380 N426 N454	T378-F424 HydrophobicContact CG2-CE1 4.04Å; T378-F424 HydrophobicContact CG2-CE2 4.34Å; T378-F424 HydrophobicContact CG2-CZ 3.56Å; Y380-F424 HydrophobicContact CD1-CB 4.11Å; Y380-F424 HydrophobicContact CD1-CD2 4.2Å; Y380-F424 HydrophobicContact CD2-CD2 4.23Å; Y380-F424 HydrophobicContact CE1-CB 3.92Å; Y380-F424 HydrophobicContact CE1-CD2 4.03Å; Y380-F424 HydrophobicContact CE1-CG 4.47Å; Y380-F424 HydrophobicContact CE2-CD2 4.04Å; Y380-F424 HydrophobicContact CG-CD2 4.3Å; Y380-F424 AromaticContact CZ-CD2 3.94Å; F424-N426 VanDerWaalsContact CE1-OD1 3.31Å; F424-N426 WeakPolarHBondContact CE1-OD1 3.35Å; F424-N454 PolarHBondContact O-ND2 2.8Å; F424-N454 VanDerWaalsContact O-ND2 3.15Å
425	G	97	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.1	177.9	0	0	0	0	0	112	T378 G379 I423	T378-G425 WeakPolarHBondContact CA-O 3.31Å; G379-G425 PolarHBondContact N-O 3.36Å; G379-G425 PolarHBondContact O-N 2.74Å; I423-G425 PolarHBondContact O-N 2.88Å
426	N	97.4	Very high	97.9	Very high	70 Å²	70	40.2 Å²	40.2	37%	0.374	22%	0.222	S	C	.	.			trans	-99.3	146.8	176.9	-65.9	41.1	0	0	0	109.4	F424 G428 T429 N454	F424-N426 VanDerWaalsContact CE1-OD1 3.31Å; F424-N426 WeakPolarHBondContact CE1-OD1 3.35Å; N426-G428 PolarHBondContact O-N 2.99Å; N426-T429 HydrophobicContact CB-CG2 3.8Å; N426-T429 PolarHBondContact N-OG1 3.39Å; N426-T429 PolarHBondContact O-N 3.23Å; N426-T429 PolarHBondContact O-OG1 2.62Å; N426-N454 PolarHBondContact OD1-ND2 3.1Å; N426-N454 VanDerWaalsContact OD1-ND2 3.11Å
427	K	96.8	Very high	97.9	Very high	150 Å²	150	40.1 Å²	40.1	65%	0.652	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	131.6	169	179.5	177.3	-178.4	179.9	0	110.2	L375 H376 T378	L375-K427 CarbonylContact O-C 3.5Å; L375-K427 WeakPolarHBondContact O-CA 3.06Å; H376-K427 WeakPolarHBondContact O-CD 3.48Å; H376-K427 WeakPolarHBondContact O-CE 3.46Å; H376-K427 WeakPolarHBondContact O-CG 3.37Å; T378-K427 PolarHBondContact OG1-N 2.97Å
428	G	97.6	Very high	97.8	Very high	48 Å²	48	42.2 Å²	42.2	50%	0.495	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-7.8	-179.6	0	0	0	0	0	114.8	L375 N426	L375-G428 PolarHBondContact O-N 3.18Å; N426-G428 PolarHBondContact O-N 2.99Å
429	T	96.8	Very high	97.8	Very high	36 Å²	36	43.2 Å²	43.2	22%	0.221	24%	0.244	C	C	.	.			trans	-84	150.4	176.7	61.7	0	0	0	0	111.5	L375 N426 N454	L375-T429 PolarHBondContact N-O 3.44Å; N426-T429 HydrophobicContact CB-CG2 3.8Å; N426-T429 PolarHBondContact N-OG1 3.39Å; N426-T429 PolarHBondContact O-N 3.23Å; N426-T429 PolarHBondContact O-OG1 2.62Å; T429-N454 WeakPolarHBondContact CG2-OD1 3.29Å
430	H	98	Very high	97.7	Very high	101 Å²	101	44.1 Å²	44.1	47%	0.468	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.4	172.2	-74.5	-103.8	0	0	0	110.8	D372 F373 T432 C453	D372-H430 VanDerWaalsContact CG-ND1 3.25Å; D372-H430 IonicContact OD1-CE1 3.35Å; D372-H430 IonicContact OD1-CG 3.85Å; D372-H430 IonicContact OD1-ND1 2.78Å; D372-H430 PolarHBondContact OD1-ND1 3.02Å; D372-H430 IonicContact OD2-CE1 2.79Å; D372-H430 IonicContact OD2-ND1 2.98Å; D372-H430 PolarHBondContact OD2-ND1 3.5Å; F373-H430 CarbonylContact O-C 3.59Å; F373-H430 VanDerWaalsContact O-CA 3.29Å; F373-H430 WeakPolarHBondContact O-CA 3.44Å; H430-T432 HydrophobicContact CB-CG2 4.41Å; H430-C453 PolarHBondContact O-SG 2.89Å; H430-C453 VanDerWaalsContact O-SG 3.35Å
431	C	98.2	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	100.1	171.5	172.3	0	0	0	0	107.2	F373 L375 I381 V451 T452 C453	F373-C431 HydrophobicContact CB-CB 4.18Å; F373-C431 PolarHBondContact N-O 3.35Å; F373-C431 PolarHBondContact O-N 2.83Å; L375-C431 HydrophobicContact CD1-CB 4.43Å; L375-C431 HydrophobicContact CD2-CB 3.9Å; L375-C431 HydrophobicContact CG-CB 4.1Å; I381-C431 HydrophobicContact CD1-CB 4.37Å; C431-V451 WeakPolarHBondContact SG-CG1 3.42Å; C431-T452 CarbonylContact C-O 3.58Å; C431-T452 WeakPolarHBondContact CA-O 3.43Å; C431-C453 HydrophobicContact CB-CB 4.17Å
432	T	98.5	Very high	97.6	Very high	55 Å²	55	47.6 Å²	47.6	34%	0.337	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	163.3	-173.1	57.8	0	0	0	0	111.2	F371 D372 H430 T452	F371-T432 VanDerWaalsContact CE2-C 3.4Å; F371-T432 WeakPolarHBondContact O-CA 3.46Å; D372-T432 HydrophobicContact CB-CG2 4.07Å; D372-T432 VanDerWaalsContact OD1-CG2 3.32Å; D372-T432 WeakPolarHBondContact OD1-CG2 3.28Å; H430-T432 HydrophobicContact CB-CG2 4.41Å; T432-T452 PolarHBondContact N-O 3.45Å; T432-T452 PolarHBondContact O-N 3.28Å
433	G	98.2	Very high	97.5	Very high	20 Å²	20	46 Å²	46	21%	0.206	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.5	-163.6	176.6	0	0	0	0	0	113.7	P370 F371 V450	P370-G433 WeakPolarHBondContact CA-O 3.43Å; F371-G433 VanDerWaalsContact CE1-C 3.4Å; F371-G433 VanDerWaalsContact CE2-N 3.32Å; F371-G433 VanDerWaalsContact CZ-CA 3.41Å; F371-G433 PolarHBondContact N-O 2.92Å; F371-G433 PolarHBondContact O-N 2.93Å; G433-V450 CarbonylContact C-O 3.18Å; G433-V450 WeakPolarHBondContact CA-O 3.06Å
434	V	98.7	Very high	97.5	Very high	36 Å²	36	45.8 Å²	45.8	22%	0.218	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	140.5	178.1	63.4	0	0	0	0	110	E368 I369 F371 V450	E368-V434 HydrophobicContact CG-CG2 3.41Å; E368-V434 VanDerWaalsContact CG-CG2 3.41Å; I369-V434 WeakPolarHBondContact O-CA 3.32Å; F371-V434 VanDerWaalsContact CE1-N 3.3Å; V434-V450 HydrophobicContact CG1-CB 4.06Å; V434-V450 HydrophobicContact CG1-CG2 4.29Å; V434-V450 PolarHBondContact N-O 3.49Å; V434-V450 PolarHBondContact O-N 3.29Å
435	V	98.8	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.7	163.4	-174.1	0	0	0	0	107	F291 I369 F371 L384 F386 F437 V447 D448 I449	F291-V435 HydrophobicContact CD2-CG2 4.35Å; F291-V435 HydrophobicContact CE2-CG2 3.92Å; F291-V435 HydrophobicContact CZ-CG2 4.06Å; I369-V435 PolarHBondContact N-O 2.95Å; I369-V435 PolarHBondContact O-N 3.26Å; F371-V435 HydrophobicContact CD1-CG2 4.04Å; F371-V435 HydrophobicContact CE1-CG2 3.75Å; L384-V435 HydrophobicContact CD1-CG2 3.64Å; F386-V435 HydrophobicContact CE1-CG1 4.17Å; F386-V435 HydrophobicContact CE1-CG2 4.3Å; F386-V435 HydrophobicContact CZ-CG1 4.15Å; F386-V435 HydrophobicContact CZ-CG2 4.13Å; V435-F437 HydrophobicContact CB-CE2 4.34Å; V435-F437 HydrophobicContact CG1-CD2 4.01Å; V435-F437 HydrophobicContact CG1-CE2 3.38Å; V435-F437 HydrophobicContact CG1-CZ 3.79Å; V435-V447 HydrophobicContact CG1-CG1 4.04Å; V435-D448 WeakPolarHBondContact CA-O 3.2Å; V435-I449 HydrophobicContact CG1-CG2 4.16Å; V435-I449 HydrophobicContact CG2-CG2 4.27Å
436	L	98.7	Very high	97.6	Very high	43 Å²	43	44.2 Å²	44.2	23%	0.225	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121	177.4	174.4	68.2	0	0	0	109.2	E366 I367 E368 V447 D448	E366-L436 HydrophobicContact CG-CD1 3.87Å; I367-L436 CarbonylContact O-C 3.51Å; I367-L436 WeakPolarHBondContact O-CA 3.45Å; E368-L436 HydrophobicContact CB-CD1 4.07Å; E368-L436 HydrophobicContact CG-CD1 4.49Å; L436-V447 CarbonylContact O-C 3.6Å; L436-V447 WeakPolarHBondContact O-CA 3.42Å; L436-D448 HydrophobicContact CB-CB 4.23Å; L436-D448 PolarHBondContact N-O 2.98Å; L436-D448 PolarHBondContact O-N 3.07Å
437	F	98.7	Very high	97.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122	170.6	-60.7	-100	0	0	0	109.3	M259 L261 L289 E366 I367 I369 F386 V435 Y445 V447	M259-F437 HydrophobicContact CE-CE1 3.45Å; M259-F437 VanDerWaalsContact CE-CE1 3.45Å; M259-F437 HydrophobicContact CE-CZ 3.46Å; M259-F437 VanDerWaalsContact CE-CZ 3.46Å; M259-F437 HydrophobicContact SD-CE1 4.37Å; L261-F437 HydrophobicContact CD1-CB 4.34Å; L261-F437 HydrophobicContact CD1-CD1 3.66Å; L261-F437 HydrophobicContact CD1-CD2 4.03Å; L261-F437 HydrophobicContact CD1-CE1 3.88Å; L261-F437 HydrophobicContact CD1-CE2 4.21Å; L261-F437 HydrophobicContact CD1-CG 3.76Å; L261-F437 HydrophobicContact CD1-CZ 4.15Å; L289-F437 HydrophobicContact CD2-CE2 3.91Å; L289-F437 HydrophobicContact CD2-CZ 3.8Å; E366-F437 WeakPolarHBondContact CA-O 3.36Å; I367-F437 HydrophobicContact CB-CB 4.15Å; I367-F437 HydrophobicContact CB-CD2 4.36Å; I367-F437 HydrophobicContact CG2-CD2 4.36Å; I367-F437 PolarHBondContact N-O 2.96Å; I367-F437 PolarHBondContact O-N 3.45Å; I369-F437 HydrophobicContact CD1-CD2 4.37Å; I369-F437 HydrophobicContact CD1-CE2 3.95Å; F386-F437 HydrophobicContact CE1-CZ 4.33Å; V435-F437 HydrophobicContact CB-CE2 4.34Å; V435-F437 HydrophobicContact CG1-CD2 4.01Å; V435-F437 HydrophobicContact CG1-CE2 3.38Å; V435-F437 HydrophobicContact CG1-CZ 3.79Å; F437-Y445 HydrophobicContact CB-CD1 3.57Å; F437-Y445 HydrophobicContact CB-CE1 4.14Å; F437-Y445 HydrophobicContact CB-CG 4.18Å; F437-Y445 HydrophobicContact CD1-CG 4.37Å; F437-V447 HydrophobicContact CD1-CB 4.49Å; F437-V447 HydrophobicContact CD1-CG1 4.22Å; F437-V447 HydrophobicContact CD1-CG2 3.68Å; F437-V447 HydrophobicContact CE1-CG1 3.97Å; F437-V447 HydrophobicContact CE1-CG2 3.8Å; F437-V447 HydrophobicContact CZ-CG1 4.32Å
438	T	98.5	Very high	97.7	Very high	45 Å²	45	36.1 Å²	36.1	28%	0.276	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.7	174.3	-54.6	0	0	0	0	109.6	N440 Y445 D446	T438-N440 PolarHBondContact O-N 2.71Å; T438-Y445 WeakPolarHBondContact O-CA 2.98Å; T438-D446 PolarHBondContact N-O 3.13Å; T438-D446 PolarHBondContact O-N 3.03Å
439	A	98	Very high	97.8	Very high	23 Å²	23	33.9 Å²	33.9	19%	0.19	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	129	-179.6	0	0	0	0	0	110.8	H365 Y445	H365-A439 HydrophobicContact CB-CB 4.41Å; H365-A439 VanDerWaalsContact O-CB 3.26Å; H365-A439 WeakPolarHBondContact O-CB 3.32Å; H365-A439 PolarHBondContact O-N 2.94Å; A439-Y445 HydrophobicContact CB-CD1 4.05Å; A439-Y445 HydrophobicContact CB-CE1 3.63Å
440	N	95.9	Very high	97.8	Very high	18 Å²	18	34.7 Å²	34.7	10%	0.096	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	166.4	178.3	71.9	42.7	0	0	0	111.3	R264 T438 R442 S444 D446	R264-N440 PolarHBondContact NH1-O 3.07Å; T438-N440 PolarHBondContact O-N 2.71Å; N440-R442 PolarHBondContact ND2-NH2 3.14Å; N440-R442 PolarHBondContact O-N 3.31Å; N440-R442 WeakPolarHBondContact OD1-CB 3.35Å; N440-R442 PolarHBondContact OD1-N 3.01Å; N440-S444 PolarHBondContact N-O 2.91Å; N440-S444 PolarHBondContact OD1-N 3Å; N440-S444 PolarHBondContact OD1-O 3.02Å; N440-D446 PolarHBondContact ND2-OD1 3.22Å
441	K	94.9	Very high	97.9	Very high	136 Å²	136	29.9 Å²	29.9	59%	0.591	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-11	-175.2	-66.6	-172.3	175.2	-174.2	0	114.4	T138 D139 L443	T138-K441 WeakPolarHBondContact CA-O 3.37Å; D139-K441 HydrophobicContact CB-CB 4.38Å; D139-K441 PolarHBondContact N-O 3.41Å; K441-L443 PolarHBondContact O-N 2.94Å
442	R	95.3	Very high	97.9	Very high	87 Å²	87	31.8 Å²	31.8	33%	0.328	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	23.1	-176.5	-58.4	177	-67.1	148.6	5	113.4	S142 N440 D446 D463 K465	S142-R442 WeakPolarHBondContact OG-CA 3.49Å; N440-R442 PolarHBondContact ND2-NH2 3.14Å; N440-R442 PolarHBondContact O-N 3.31Å; N440-R442 WeakPolarHBondContact OD1-CB 3.35Å; N440-R442 PolarHBondContact OD1-N 3.01Å; R442-D446 IonicContact NH2-OD1 3.12Å; R442-D463 IonicContact CZ-OD1 2.74Å; R442-D463 IonicContact CZ-OD2 3.84Å; R442-D463 IonicContact NH1-OD1 3.43Å; R442-D463 IonicContact NH1-OD2 3.74Å; R442-D463 PolarHBondContact NH1-OD2 2.79Å; R442-D463 IonicContact NH2-OD1 3.6Å; R442-D463 PolarHBondContact NH2-OD1 2.76Å; R442-D463 IonicContact NH2-OD2 3.76Å; R442-D463 PolarHBondContact NH2-OD2 2.86Å; R442-K465 HydrophobicContact CB-CG 4.22Å; R442-K465 WeakPolarHBondContact O-CD 3.49Å; R442-K465 VanDerWaalsContact O-CE 3.23Å; R442-K465 WeakPolarHBondContact O-CE 3.39Å; R442-K465 PolarHBondContact O-NZ 2.92Å
443	L	95.5	Very high	97.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	46.1	-172.1	-63.3	166.2	0	0	0	112.3	F134 T138 Y146 E263 K441	F134-L443 HydrophobicContact CE2-CD2 4.03Å; F134-L443 HydrophobicContact CZ-CD2 4.15Å; T138-L443 HydrophobicContact CG2-CD1 3.94Å; T138-L443 HydrophobicContact CG2-CD2 3.64Å; T138-L443 HydrophobicContact CG2-CG 3.56Å; T138-L443 VanDerWaalsContact OG1-CD2 3.3Å; T138-L443 WeakPolarHBondContact OG1-CD2 3.41Å; Y146-L443 HydrophobicContact CD1-CD1 4.18Å; Y146-L443 HydrophobicContact CD2-CD1 3.83Å; Y146-L443 HydrophobicContact CG-CD1 3.58Å; E263-L443 CarbonylContact C-O 3.51Å; E263-L443 WeakPolarHBondContact CA-O 3.23Å; E263-L443 PolarHBondContact N-O 2.96Å; E263-L443 VanDerWaalsContact N-O 3.15Å; K441-L443 PolarHBondContact O-N 2.94Å
444	S	97.6	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-168.5	179.9	-161.6	0	0	0	0	111.6	N262 R264 N440 L464 K465	N262-S444 WeakPolarHBondContact OD1-CB 3.23Å; N262-S444 PolarHBondContact OD1-OG 2.96Å; R264-S444 WeakPolarHBondContact CD-O 3.38Å; N440-S444 PolarHBondContact N-O 2.91Å; N440-S444 PolarHBondContact OD1-N 3Å; N440-S444 PolarHBondContact OD1-O 3.02Å; S444-L464 WeakPolarHBondContact OG-CB 3.36Å; S444-K465 PolarHBondContact OG-N 2.93Å
445	Y	98.6	Very high	97.3	Very high	1 Å²	1	34 Å²	34	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	141.6	-179.4	-70.8	-94.7	0	0	0	111.3	L261 R264 L364 I367 F437 T438 A439 L464	L261-Y445 HydrophobicContact CB-CD2 3.96Å; L261-Y445 HydrophobicContact CB-CE2 3.69Å; L261-Y445 VanDerWaalsContact O-CE2 3.24Å; L261-Y445 WeakPolarHBondContact O-CE2 3.44Å; R264-Y445 HydrophobicContact CG-CD2 4.27Å; R264-Y445 HydrophobicContact CG-CE2 3.62Å; L364-Y445 WeakPolarHBondContact O-CE1 3.37Å; L364-Y445 VanDerWaalsContact O-CZ 3.31Å; L364-Y445 PolarHBondContact O-OH 2.65Å; I367-Y445 HydrophobicContact CD1-CE1 4.34Å; F437-Y445 HydrophobicContact CB-CD1 3.57Å; F437-Y445 HydrophobicContact CB-CE1 4.14Å; F437-Y445 HydrophobicContact CB-CG 4.18Å; F437-Y445 HydrophobicContact CD1-CG 4.37Å; T438-Y445 WeakPolarHBondContact O-CA 2.98Å; A439-Y445 HydrophobicContact CB-CD1 4.05Å; A439-Y445 HydrophobicContact CB-CE1 3.63Å; Y445-L464 VanDerWaalsContact O-CB 3.26Å; Y445-L464 WeakPolarHBondContact O-CB 3.32Å; Y445-L464 PolarHBondContact O-N 2.88Å; Y445-L464 VanDerWaalsContact O-N 3.09Å
446	D	98.5	Very high	97.2	Very high	58 Å²	58	37.1 Å²	37.1	31%	0.31	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.9	157.8	-53.7	-29.8	0	0	0	106.7	T438 N440 R442	T438-D446 PolarHBondContact N-O 3.13Å; T438-D446 PolarHBondContact O-N 3.03Å; N440-D446 PolarHBondContact ND2-OD1 3.22Å; R442-D446 IonicContact NH2-OD1 3.12Å
447	V	98.7	Very high	97.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	106.1	-173.6	-172.4	0	0	0	0	109.5	M259 V435 L436 F437 I449 T461 L462 L464	M259-V447 HydrophobicContact CE-CG1 4.4Å; V435-V447 HydrophobicContact CG1-CG1 4.04Å; L436-V447 CarbonylContact O-C 3.6Å; L436-V447 WeakPolarHBondContact O-CA 3.42Å; F437-V447 HydrophobicContact CD1-CB 4.49Å; F437-V447 HydrophobicContact CD1-CG1 4.22Å; F437-V447 HydrophobicContact CD1-CG2 3.68Å; F437-V447 HydrophobicContact CE1-CG1 3.97Å; F437-V447 HydrophobicContact CE1-CG2 3.8Å; F437-V447 HydrophobicContact CZ-CG1 4.32Å; V447-I449 HydrophobicContact CG1-CG2 4.3Å; V447-T461 CarbonylContact O-C 3.56Å; V447-T461 WeakPolarHBondContact O-CA 3.38Å; V447-L462 HydrophobicContact CB-CB 4.36Å; V447-L462 PolarHBondContact N-O 2.84Å; V447-L462 WeakPolarHBondContact O-CD1 3.2Å; V447-L462 PolarHBondContact O-N 3.38Å; V447-L464 HydrophobicContact CG2-CB 4.2Å
448	D	98.7	Very high	97.1	Very high	50 Å²	50	39.8 Å²	39.8	27%	0.267	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.7	173.9	-68.4	-57.3	0	0	0	110	V435 L436 N460 T461	V435-D448 WeakPolarHBondContact CA-O 3.2Å; L436-D448 HydrophobicContact CB-CB 4.23Å; L436-D448 PolarHBondContact N-O 2.98Å; L436-D448 PolarHBondContact O-N 3.07Å; D448-N460 WeakPolarHBondContact CA-O 3.48Å; D448-T461 VanDerWaalsContact OD1-CB 3.23Å; D448-T461 WeakPolarHBondContact OD1-CB 3.2Å; D448-T461 WeakPolarHBondContact OD1-CG2 3.34Å; D448-T461 PolarHBondContact OD1-OG1 2.86Å
449	I	98.5	Very high	97.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.6	173.6	60.6	175.1	0	0	0	109.8	L384 C417 L419 V435 V447 C459 N460 L462	L384-I449 HydrophobicContact CD1-CG2 4.22Å; C417-I449 HydrophobicContact CB-CD1 4.13Å; L419-I449 HydrophobicContact CD2-CD1 3.77Å; L419-I449 HydrophobicContact CD2-CG1 4.17Å; L419-I449 HydrophobicContact CG-CD1 4.48Å; V435-I449 HydrophobicContact CG1-CG2 4.16Å; V435-I449 HydrophobicContact CG2-CG2 4.27Å; V447-I449 HydrophobicContact CG1-CG2 4.3Å; I449-C459 CarbonylContact O-C 3.58Å; I449-C459 WeakPolarHBondContact O-CA 3.28Å; I449-C459 WeakPolarHBondContact O-CB 3.23Å; I449-N460 HydrophobicContact CD1-CB 4.13Å; I449-N460 HydrophobicContact CG1-CB 3.86Å; I449-N460 PolarHBondContact N-O 2.86Å; I449-N460 PolarHBondContact O-N 3.43Å; I449-L462 HydrophobicContact CD1-CD1 3.99Å; I449-L462 HydrophobicContact CG1-CD1 4.01Å
450	V	98.5	Very high	97.1	Very high	53 Å²	53	40.7 Å²	40.7	32%	0.321	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.9	169.6	-177	0	0	0	0	107.6	G433 V434 T457 C459	G433-V450 CarbonylContact C-O 3.18Å; G433-V450 WeakPolarHBondContact CA-O 3.06Å; V434-V450 HydrophobicContact CG1-CB 4.06Å; V434-V450 HydrophobicContact CG1-CG2 4.29Å; V434-V450 PolarHBondContact N-O 3.49Å; V434-V450 PolarHBondContact O-N 3.29Å; V450-T457 HydrophobicContact CG1-CG2 3.87Å; V450-C459 HydrophobicContact CG2-CB 4.22Å
451	V	98.5	Very high	97.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.6	-179.5	-177.3	0	0	0	0	108.6	F371 L384 L419 I423 C431 T457 S458	F371-V451 HydrophobicContact CZ-CG2 4.03Å; L384-V451 HydrophobicContact CD1-CG2 4.41Å; L384-V451 HydrophobicContact CG-CG2 4.41Å; L419-V451 HydrophobicContact CD1-CB 4.15Å; L419-V451 HydrophobicContact CD1-CG1 4.46Å; L419-V451 HydrophobicContact CD1-CG2 4.21Å; L419-V451 HydrophobicContact CD2-CB 4.16Å; L419-V451 HydrophobicContact CD2-CG2 3.8Å; L419-V451 HydrophobicContact CG-CG2 4.48Å; I423-V451 HydrophobicContact CD1-CB 4.11Å; I423-V451 HydrophobicContact CD1-CG1 4Å; I423-V451 WeakPolarHBondContact CD1-O 3.31Å; C431-V451 WeakPolarHBondContact SG-CG1 3.42Å; V451-T457 CarbonylContact O-C 3.59Å; V451-T457 VanDerWaalsContact O-CA 3.31Å; V451-T457 WeakPolarHBondContact O-CA 3.43Å; V451-S458 PolarHBondContact N-O 3.42Å; V451-S458 PolarHBondContact O-N 3.28Å
452	T	98.3	Very high	97.4	Very high	40 Å²	40	36.8 Å²	36.8	25%	0.245	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.5	175.3	-60.2	0	0	0	0	110	C431 T432 S456 T457	C431-T452 CarbonylContact C-O 3.58Å; C431-T452 WeakPolarHBondContact CA-O 3.43Å; T432-T452 PolarHBondContact N-O 3.45Å; T432-T452 PolarHBondContact O-N 3.28Å; T452-S456 CarbonylContact C-O 3.45Å; T452-S456 VanDerWaalsContact CA-O 3.31Å; T452-S456 WeakPolarHBondContact CA-O 3.44Å; T452-T457 WeakPolarHBondContact CG2-OG1 3.49Å; T452-T457 WeakPolarHBondContact OG1-CG2 3.37Å; T452-T457 PolarHBondContact OG1-OG1 2.84Å
453	C	97.3	Very high	97.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	140.2	174	-168.5	0	0	0	0	109.4	I381 I423 H430 C431 G455 S456	I381-C453 HydrophobicContact CD1-CB 4.1Å; I423-C453 HydrophobicContact CG2-CB 3.87Å; H430-C453 PolarHBondContact O-SG 2.89Å; H430-C453 VanDerWaalsContact O-SG 3.35Å; C431-C453 HydrophobicContact CB-CB 4.17Å; C453-G455 PolarHBondContact O-N 3.1Å; C453-G455 VanDerWaalsContact O-N 3.13Å; C453-S456 PolarHBondContact N-O 2.9Å; C453-S456 PolarHBondContact O-N 2.97Å; C453-S456 VanDerWaalsContact O-O 3.1Å
454	N	93.6	Very high	97.6	Very high	79 Å²	79	34.4 Å²	34.4	42%	0.422	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	37	-179.8	-70	-22.7	0	0	0	114.3	F424 N426 T429 S456	F424-N454 PolarHBondContact O-ND2 2.8Å; F424-N454 VanDerWaalsContact O-ND2 3.15Å; N426-N454 PolarHBondContact OD1-ND2 3.1Å; N426-N454 VanDerWaalsContact OD1-ND2 3.11Å; T429-N454 WeakPolarHBondContact CG2-OD1 3.29Å; N454-S456 PolarHBondContact O-N 2.99Å
455	G	92.9	Very high	97.5	Very high	77 Å²	77	38 Å²	38	79%	0.794	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	0.2	-178	0	0	0	0	0	115.3	C453	C453-G455 PolarHBondContact O-N 3.1Å; C453-G455 VanDerWaalsContact O-N 3.13Å
456	S	96.7	Very high	97.4	Very high	67 Å²	67	41.3 Å²	41.3	47%	0.469	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	136.9	171.6	-62.3	0	0	0	0	109.9	T452 C453 N454	T452-S456 CarbonylContact C-O 3.45Å; T452-S456 VanDerWaalsContact CA-O 3.31Å; T452-S456 WeakPolarHBondContact CA-O 3.44Å; C453-S456 PolarHBondContact N-O 2.9Å; C453-S456 PolarHBondContact O-N 2.97Å; C453-S456 VanDerWaalsContact O-O 3.1Å; N454-S456 PolarHBondContact O-N 2.99Å
457	T	97.6	Very high	97.4	Very high	90 Å²	90	39.7 Å²	39.7	55%	0.552	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.3	177.9	-58.8	0	0	0	0	109.7	V450 V451 T452	V450-T457 HydrophobicContact CG1-CG2 3.87Å; V451-T457 CarbonylContact O-C 3.59Å; V451-T457 VanDerWaalsContact O-CA 3.31Å; V451-T457 WeakPolarHBondContact O-CA 3.43Å; T452-T457 WeakPolarHBondContact CG2-OG1 3.49Å; T452-T457 WeakPolarHBondContact OG1-CG2 3.37Å; T452-T457 PolarHBondContact OG1-OG1 2.84Å
458	S	97.9	Very high	97.3	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.063	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.8	172.8	-168.4	0	0	0	0	109	S421 V451	S421-S458 PolarHBondContact N-OG 2.93Å; S421-S458 WeakPolarHBondContact O-CB 3.29Å; S421-S458 PolarHBondContact O-OG 3.09Å; V451-S458 PolarHBondContact N-O 3.42Å; V451-S458 PolarHBondContact O-N 3.28Å
459	C	97.4	Very high	97.2	Very high	77 Å²	77	42 Å²	42	52%	0.52	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157	179.8	59.2	0	0	0	0	111.3	I449 V450	I449-C459 CarbonylContact O-C 3.58Å; I449-C459 WeakPolarHBondContact O-CA 3.28Å; I449-C459 WeakPolarHBondContact O-CB 3.23Å; V450-C459 HydrophobicContact CG2-CB 4.22Å
460	N	97.9	Very high	97.1	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.048	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	155	170	-163.4	18.1	0	0	0	110.7	F332 Q418 R420 D448 I449 L462	F332-N460 PolarHBondContact O-ND2 2.89Å; Q418-N460 PolarHBondContact O-ND2 2.95Å; R420-N460 HydrophobicContact CG-CB 4.21Å; R420-N460 WeakPolarHBondContact CG-OD1 3.1Å; D448-N460 WeakPolarHBondContact CA-O 3.48Å; I449-N460 HydrophobicContact CD1-CB 4.13Å; I449-N460 HydrophobicContact CG1-CB 3.86Å; I449-N460 PolarHBondContact N-O 2.86Å; I449-N460 PolarHBondContact O-N 3.43Å; N460-L462 HydrophobicContact CB-CD1 4.21Å
461	T	98.2	Very high	96.9	Very high	70 Å²	70	46.1 Å²	46.1	43%	0.429	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.5	171.8	-55.1	0	0	0	0	107.3	V447 D448	V447-T461 CarbonylContact O-C 3.56Å; V447-T461 WeakPolarHBondContact O-CA 3.38Å; D448-T461 VanDerWaalsContact OD1-CB 3.23Å; D448-T461 WeakPolarHBondContact OD1-CB 3.2Å; D448-T461 WeakPolarHBondContact OD1-CG2 3.34Å; D448-T461 PolarHBondContact OD1-OG1 2.86Å
462	L	98.5	Very high	96.6	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.6	-178.1	-55.5	93.7	0	0	0	111.4	G333 P335 C417 V447 I449 N460	G333-L462 CarbonylContact O-C 3.38Å; G333-L462 VanDerWaalsContact O-CA 3.26Å; G333-L462 WeakPolarHBondContact O-CA 3.3Å; P335-L462 HydrophobicContact CB-CD2 4.48Å; P335-L462 HydrophobicContact CG-CB 3.93Å; P335-L462 HydrophobicContact CG-CD2 4.1Å; C417-L462 HydrophobicContact CB-CD1 3.89Å; C417-L462 HydrophobicContact CB-CD2 3.51Å; C417-L462 HydrophobicContact CB-CG 4.36Å; V447-L462 HydrophobicContact CB-CB 4.36Å; V447-L462 PolarHBondContact N-O 2.84Å; V447-L462 WeakPolarHBondContact O-CD1 3.2Å; V447-L462 PolarHBondContact O-N 3.38Å; I449-L462 HydrophobicContact CD1-CD1 3.99Å; I449-L462 HydrophobicContact CG1-CD1 4.01Å; N460-L462 HydrophobicContact CB-CD1 4.21Å
463	D	97.9	Very high	96.2	Very high	36 Å²	36	51.2 Å²	51.2	19%	0.193	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	103.2	175.8	-178.1	6.1	0	0	0	109.8	G333 P335 R442 K465 N466	G333-D463 PolarHBondContact O-N 2.78Å; P335-D463 VanDerWaalsContact CD-O 3.27Å; P335-D463 WeakPolarHBondContact CD-O 3.24Å; R442-D463 IonicContact CZ-OD1 2.74Å; R442-D463 IonicContact CZ-OD2 3.84Å; R442-D463 IonicContact NH1-OD1 3.43Å; R442-D463 IonicContact NH1-OD2 3.74Å; R442-D463 PolarHBondContact NH1-OD2 2.79Å; R442-D463 IonicContact NH2-OD1 3.6Å; R442-D463 PolarHBondContact NH2-OD1 2.76Å; R442-D463 IonicContact NH2-OD2 3.76Å; R442-D463 PolarHBondContact NH2-OD2 2.86Å; D463-K465 PolarHBondContact O-N 3Å; D463-K465 VanDerWaalsContact O-N 3.13Å; D463-K465 WeakPolarHBondContact OD1-CB 3.23Å; D463-K465 PolarHBondContact OD1-N 2.86Å; D463-N466 HydrophobicContact CB-CB 4.4Å; D463-N466 PolarHBondContact O-N 3.24Å
464	L	97.8	Very high	95.8	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.9	-179.8	-167.7	59.9	0	0	0	112.9	M259 N262 P335 S444 Y445 V447 N466	M259-L464 HydrophobicContact CG-CD1 4.35Å; M259-L464 HydrophobicContact SD-CD1 3.68Å; M259-L464 HydrophobicContact SD-CD2 4.35Å; N262-L464 HydrophobicContact CB-CD2 3.74Å; N262-L464 HydrophobicContact CB-CG 3.96Å; P335-L464 HydrophobicContact CB-CD1 4.34Å; P335-L464 HydrophobicContact CG-CD1 4.07Å; S444-L464 WeakPolarHBondContact OG-CB 3.36Å; Y445-L464 VanDerWaalsContact O-CB 3.26Å; Y445-L464 WeakPolarHBondContact O-CB 3.32Å; Y445-L464 PolarHBondContact O-N 2.88Å; Y445-L464 VanDerWaalsContact O-N 3.09Å; V447-L464 HydrophobicContact CG2-CB 4.2Å; L464-N466 VanDerWaalsContact C-N 3.33Å
465	K	95.9	Very high	95.5	Very high	75 Å²	75	58 Å²	58	33%	0.326	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.2	172.7	-168.3	57.5	173.7	-164.5	0	112.7	R442 S444 D463 P467	R442-K465 HydrophobicContact CB-CG 4.22Å; R442-K465 WeakPolarHBondContact O-CD 3.49Å; R442-K465 VanDerWaalsContact O-CE 3.23Å; R442-K465 WeakPolarHBondContact O-CE 3.39Å; R442-K465 PolarHBondContact O-NZ 2.92Å; S444-K465 PolarHBondContact OG-N 2.93Å; D463-K465 PolarHBondContact O-N 3Å; D463-K465 VanDerWaalsContact O-N 3.13Å; D463-K465 WeakPolarHBondContact OD1-CB 3.23Å; D463-K465 PolarHBondContact OD1-N 2.86Å; K465-P467 VanDerWaalsContact O-CD 3.3Å; K465-P467 WeakPolarHBondContact O-CD 3.47Å
466	N	96.5	Very high	95.4	Very high	72 Å²	72	57.2 Å²	57.2	39%	0.385	32%	0.316	S	S	.	.	S	Bend	trans	-120.3	61.7	-177.1	-172.3	29.8	0	0	0	112.3	Q334 D463 L464	Q334-N466 WeakPolarHBondContact CG-O 3.29Å; Q334-N466 PolarHBondContact NE2-ND2 3.14Å; D463-N466 HydrophobicContact CB-CB 4.4Å; D463-N466 PolarHBondContact O-N 3.24Å; L464-N466 VanDerWaalsContact C-N 3.33Å
467	P	97.6	Very high	94.9	Very high	24 Å²	24	60.6 Å²	60.6	16%	0.156	32%	0.324	C	S	.	.			trans	-71.2	151.7	178.4	30.6	-35	0	0	0	112.5	P335 V337 K465 F469	P335-P467 CarbonylContact O-C 3.55Å; P335-P467 VanDerWaalsContact O-CA 3.29Å; P335-P467 WeakPolarHBondContact O-CA 3.39Å; V337-P467 HydrophobicContact CG2-CB 3.67Å; K465-P467 VanDerWaalsContact O-CD 3.3Å; K465-P467 WeakPolarHBondContact O-CD 3.47Å; P467-F469 HydrophobicContact CB-CE2 4.42Å; P467-F469 HydrophobicContact CG-CD2 4.48Å; P467-F469 HydrophobicContact CG-CE2 3.71Å; P467-F469 HydrophobicContact CG-CZ 4.04Å
468	F	97.6	Very high	94.5	Very high	50 Å²	50	57.6 Å²	57.6	22%	0.219	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	110.4	167.8	175.2	-121.5	0	0	0	110.2	K306 Q334 P335 V336 V337 R470	K306-F468 VanDerWaalsContact NZ-CE1 3.25Å; Q334-F468 HydrophobicContact CB-CB 4.04Å; P335-F468 PolarHBondContact O-N 2.7Å; V336-F468 WeakPolarHBondContact CA-O 3.27Å; V336-F468 HydrophobicContact CG1-CD1 4.24Å; V336-F468 HydrophobicContact CG2-CD1 4.32Å; V337-F468 PolarHBondContact N-O 2.95Å; F468-R470 HydrophobicContact CD1-CB 4.04Å; F468-R470 HydrophobicContact CE1-CB 3.67Å; F468-R470 HydrophobicContact CE1-CG 3.88Å; F468-R470 HydrophobicContact CZ-CB 4.3Å; F468-R470 HydrophobicContact CZ-CG 4.48Å; F468-R470 PolarHBondContact O-N 3.27Å
469	F	96.8	Very high	94.1	Very high	47 Å²	47	58.5 Å²	58.5	21%	0.206	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	109	174.9	-70.4	-84.1	0	0	0	110.8	Y258 V337 P467 Y566	Y258-F469 HydrophobicContact CE1-CE1 4.35Å; Y258-F469 HydrophobicContact CE2-CE1 4.14Å; Y258-F469 AromaticContact CE2-CZ 3.76Å; Y258-F469 HydrophobicContact CE2-CZ 3.76Å; Y258-F469 AromaticContact CZ-CE1 3.64Å; Y258-F469 AromaticContact CZ-CZ 3.74Å; Y258-F469 WeakPolarHBondContact OH-CE1 3.48Å; Y258-F469 WeakPolarHBondContact OH-CZ 3.23Å; V337-F469 HydrophobicContact CB-CD1 3.91Å; V337-F469 HydrophobicContact CB-CE1 4.02Å; V337-F469 HydrophobicContact CG1-CD1 3.94Å; V337-F469 HydrophobicContact CG1-CE1 3.83Å; V337-F469 HydrophobicContact CG2-CE1 4.33Å; P467-F469 HydrophobicContact CB-CE2 4.42Å; P467-F469 HydrophobicContact CG-CD2 4.48Å; P467-F469 HydrophobicContact CG-CE2 3.71Å; P467-F469 HydrophobicContact CG-CZ 4.04Å; F469-Y566 HydrophobicContact CD2-CD1 4.01Å; F469-Y566 HydrophobicContact CD2-CG 4.04Å; F469-Y566 AromaticContact CE2-CD1 3.33Å; F469-Y566 HydrophobicContact CE2-CD1 3.33Å; F469-Y566 AromaticContact CE2-CE1 3.69Å; F469-Y566 HydrophobicContact CE2-CE1 3.69Å; F469-Y566 AromaticContact CE2-CG 3.81Å; F469-Y566 HydrophobicContact CE2-CG 3.81Å; F469-Y566 AromaticContact CZ-CD1 3.78Å; F469-Y566 HydrophobicContact CZ-CD1 3.78Å; F469-Y566 AromaticContact CZ-CE1 3.62Å; F469-Y566 HydrophobicContact CZ-CE1 3.62Å; F469-Y566 HydrophobicContact CZ-CG 4.29Å
470	R	96.3	Very high	93.5	Very high	77 Å²	77	60.9 Å²	60.9	29%	0.291	33%	0.327	S	S	.	.			trans	-106.5	-16.3	-174.8	-174	175.5	175.5	-79.8	-3.5	113.7	E302 V336 V337 D338 F468 N472	E302-R470 IonicContact OE2-CZ 2.69Å; E302-R470 IonicContact OE2-NE 2.73Å; E302-R470 PolarHBondContact OE2-NE 3.44Å; E302-R470 IonicContact OE2-NH2 3.97Å; E302-R470 PolarHBondContact OE2-NH2 2.58Å; V336-R470 HydrophobicContact CG1-CB 3.71Å; V336-R470 HydrophobicContact CG1-CG 4.41Å; V337-R470 PolarHBondContact O-N 3.49Å; D338-R470 HydrophobicContact CB-CB 4.03Å; D338-R470 WeakPolarHBondContact OD2-CD 3.47Å; D338-R470 IonicContact OD2-CZ 2.92Å; D338-R470 IonicContact OD2-NH1 3Å; D338-R470 PolarHBondContact OD2-NH1 2.81Å; F468-R470 HydrophobicContact CD1-CB 4.04Å; F468-R470 HydrophobicContact CE1-CB 3.67Å; F468-R470 HydrophobicContact CE1-CG 3.88Å; F468-R470 HydrophobicContact CZ-CB 4.3Å; F468-R470 HydrophobicContact CZ-CG 4.48Å; F468-R470 PolarHBondContact O-N 3.27Å; R470-N472 PolarHBondContact O-N 2.85Å
471	Y	93.4	Very high	92.7	Very high	64 Å²	64	64.3 Å²	64.3	25%	0.251	36%	0.364	S	S	.	.			trans	-58.7	133.6	179.2	-177.2	-105.2	0	0	0	111.9	T339 L409 Y413	T339-Y471 HydrophobicContact CG2-CD2 3.96Å; T339-Y471 HydrophobicContact CG2-CE2 3.91Å; L409-Y471 HydrophobicContact CD2-CE2 3.76Å; Y413-Y471 HydrophobicContact CD1-CD1 4.43Å; Y413-Y471 HydrophobicContact CD1-CD2 4.06Å; Y413-Y471 AromaticContact CD1-CG 3.94Å; Y413-Y471 HydrophobicContact CD1-CG 3.94Å; Y413-Y471 AromaticContact CE1-CD1 3.37Å; Y413-Y471 HydrophobicContact CE1-CD1 3.37Å; Y413-Y471 AromaticContact CE1-CD2 3.69Å; Y413-Y471 HydrophobicContact CE1-CD2 3.69Å; Y413-Y471 AromaticContact CE1-CE1 3.78Å; Y413-Y471 HydrophobicContact CE1-CE1 3.78Å; Y413-Y471 HydrophobicContact CE1-CE2 4.08Å; Y413-Y471 AromaticContact CE1-CG 3.29Å; Y413-Y471 HydrophobicContact CE1-CG 3.29Å; Y413-Y471 AromaticContact CZ-CD1 3.7Å; Y413-Y471 AromaticContact CZ-CG 3.98Å; Y413-Y471 WeakPolarHBondContact OH-CD1 3.16Å
472	N	92.2	Very high	92	Very high	119 Å²	119	64 Å²	64	64%	0.636	36%	0.357	S	S	*	.			trans	-131.8	14.1	-174.5	66.1	3.9	0	0	0	113.4	R470 Q474	R470-N472 PolarHBondContact O-N 2.85Å; N472-Q474 PolarHBondContact O-N 2.86Å; N472-Q474 VanDerWaalsContact OD1-CB 3.29Å; N472-Q474 WeakPolarHBondContact OD1-CB 3.5Å; N472-Q474 WeakPolarHBondContact OD1-CG 3.47Å; N472-Q474 PolarHBondContact OD1-N 2.91Å
473	G	90.9	Very high	91.3	Very high	29 Å²	29	70.2 Å²	70.2	30%	0.299	38%	0.381	S	S	.	.	S	Bend	trans	77.4	-7.6	-179.4	0	0	0	0	0	115.5
474	Q	88.8	Confident	90.7	Very high	130 Å²	130	76.4 Å²	76.4	61%	0.607	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-72.7	142.4	-179.6	-66.1	-63.2	-42.8	0	0	111.4	N472 V476	N472-Q474 PolarHBondContact O-N 2.86Å; N472-Q474 VanDerWaalsContact OD1-CB 3.29Å; N472-Q474 WeakPolarHBondContact OD1-CB 3.5Å; N472-Q474 WeakPolarHBondContact OD1-CG 3.47Å; N472-Q474 PolarHBondContact OD1-N 2.91Å; Q474-V476 PolarHBondContact O-N 2.71Å
475	P	87.7	Confident	90.2	Very high	93 Å²	93	81.4 Å²	81.4	60%	0.604	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-57.4	132.6	173.3	-23.4	33	0	0	0	111.1	Q477	P475-Q477 PolarHBondContact O-N 3.24Å; P475-Q477 PolarHBondContact O-NE2 3.32Å
476	V	89.5	Confident	89.9	Confident	60 Å²	60	80 Å²	80	36%	0.364	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-64.1	124.6	179.4	-173.3	0	0	0	0	109.9	T339 H341 Q474	T339-V476 HydrophobicContact CG2-CG2 3.47Å; T339-V476 VanDerWaalsContact CG2-CG2 3.47Å; H341-V476 HydrophobicContact CB-CG1 3.79Å; Q474-V476 PolarHBondContact O-N 2.71Å
477	Q	87.3	Confident	89.4	Confident	137 Å²	137	79.8 Å²	79.8	64%	0.64	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-94.5	144.8	179.4	-59.5	-56.9	-47.9	0	0	111.3	H341 P475	H341-Q477 WeakPolarHBondContact CB-O 3.45Å; P475-Q477 PolarHBondContact O-N 3.24Å; P475-Q477 PolarHBondContact O-NE2 3.32Å
478	P	88.7	Confident	89.1	Confident	28 Å²	28	82.7 Å²	82.7	18%	0.182	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-64.4	149.7	171.2	26.1	-30.6	0	0	0	110.8	F482 Y483	P478-F482 HydrophobicContact CB-CB 3.96Å; P478-F482 HydrophobicContact CB-CD1 3.7Å; P478-F482 HydrophobicContact CB-CE1 4.42Å; P478-F482 HydrophobicContact CB-CG 3.85Å; P478-Y483 HydrophobicContact CG-CE2 3.84Å; P478-Y483 WeakPolarHBondContact CG-OH 3.48Å
479	P	88.5	Confident	88.9	Confident	28 Å²	28	85.1 Å²	85.1	18%	0.182	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-64.4	156.1	-179.5	23.7	-30.8	0	0	0	112.1	I344 G481 F482	I344-P479 HydrophobicContact CG2-CB 4.05Å; I344-P479 HydrophobicContact CG2-CG 3.99Å; P479-G481 PolarHBondContact O-N 3.27Å; P479-F482 HydrophobicContact CG-CB 4.1Å; P479-F482 HydrophobicContact CG-CD2 4.07Å; P479-F482 HydrophobicContact CG-CG 4.44Å; P479-F482 WeakPolarHBondContact O-CB 3.33Å; P479-F482 PolarHBondContact O-N 3.42Å; P479-F482 VanDerWaalsContact O-N 3.11Å
480	P	84.7	Confident	88.3	Confident	127 Å²	127	85.4 Å²	85.4	83%	0.825	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	136.1	172	-25.9	34.7	0	0	0	111.9	F482	P480-F482 VanDerWaalsContact C-N 3.29Å; P480-F482 PolarHBondContact O-N 3.31Å
481	G	82.7	Confident	87.9	Confident	81 Å²	81	86.9 Å²	86.9	84%	0.835	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	11.1	-178.8	0	0	0	0	0	115.2	P479 Y483	P479-G481 PolarHBondContact O-N 3.27Å; G481-Y483 PolarHBondContact O-N 3.31Å
482	F	83	Confident	87.7	Confident	62 Å²	62	91.3 Å²	91.3	27%	0.272	52%	0.517	S	S	.	.			trans	-66.2	-32.4	179.3	-178.3	-99.9	0	0	0	114.3	H341 G343 P478 P479 P480	H341-F482 AromaticContact CE1-CE1 3.76Å; H341-F482 AromaticContact CE1-CE2 3.7Å; H341-F482 AromaticContact CE1-CZ 3.45Å; H341-F482 VanDerWaalsContact CE1-CZ 3.45Å; H341-F482 WeakPolarHBondContact CE1-CZ 3.44Å; G343-F482 VanDerWaalsContact CA-CE2 3.5Å; P478-F482 HydrophobicContact CB-CB 3.96Å; P478-F482 HydrophobicContact CB-CD1 3.7Å; P478-F482 HydrophobicContact CB-CE1 4.42Å; P478-F482 HydrophobicContact CB-CG 3.85Å; P479-F482 HydrophobicContact CG-CB 4.1Å; P479-F482 HydrophobicContact CG-CD2 4.07Å; P479-F482 HydrophobicContact CG-CG 4.44Å; P479-F482 WeakPolarHBondContact O-CB 3.33Å; P479-F482 PolarHBondContact O-N 3.42Å; P479-F482 VanDerWaalsContact O-N 3.11Å; P480-F482 VanDerWaalsContact C-N 3.29Å; P480-F482 PolarHBondContact O-N 3.31Å
483	Y	84.4	Confident	87.5	Confident	134 Å²	134	88.7 Å²	88.7	53%	0.525	51%	0.508	S	S	.	.			trans	-82.9	131.6	-174.3	-61.7	-77	0	0	0	112.4	P478 G481 T485 P487	P478-Y483 HydrophobicContact CG-CE2 3.84Å; P478-Y483 WeakPolarHBondContact CG-OH 3.48Å; G481-Y483 PolarHBondContact O-N 3.31Å; Y483-T485 WeakPolarHBondContact CB-O 3.38Å; Y483-P487 HydrophobicContact CD2-CB 4.37Å; Y483-P487 HydrophobicContact CD2-CG 3.61Å; Y483-P487 HydrophobicContact CE2-CG 4.22Å; Y483-P487 HydrophobicContact CG-CG 3.84Å
484	N	85	Confident	87.2	Confident	167 Å²	167	89.3 Å²	89.3	89%	0.893	51%	0.51	S	S	*	.	S	Bend	trans	-88.6	-4.5	174.7	-66.5	-30	0	0	0	113.4
485	T	86	Confident	86.9	Confident	105 Å²	105	85.4 Å²	85.4	64%	0.644	49%	0.493	S	S	*	.	S	Bend	trans	-131.6	161.4	177.4	54.2	0	0	0	0	109.3	Y483 P487	Y483-T485 WeakPolarHBondContact CB-O 3.38Å; T485-P487 WeakPolarHBondContact O-CD 3.48Å
486	S	90.1	Very high	86.5	Confident	45 Å²	45	84.1 Å²	84.1	32%	0.315	49%	0.486	S	S	.	.			trans	-59.6	116.7	177.1	171.8	0	0	0	0	110	T488 D489 A490	S486-T488 PolarHBondContact O-N 3.32Å; S486-T488 PolarHBondContact OG-N 3.46Å; S486-D489 WeakPolarHBondContact CB-OD2 3.19Å; S486-D489 PolarHBondContact O-N 3.48Å; S486-D489 PolarHBondContact OG-N 3.42Å; S486-D489 PolarHBondContact OG-OD1 3.11Å; S486-D489 PolarHBondContact OG-OD2 3.4Å; S486-A490 PolarHBondContact O-N 2.9Å
487	P	87	Confident	86	Confident	69 Å²	69	85.7 Å²	85.7	45%	0.448	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-29.6	174.4	-21.7	34.6	0	0	0	111.6	Y483 T485 H491	Y483-P487 HydrophobicContact CD2-CB 4.37Å; Y483-P487 HydrophobicContact CD2-CG 3.61Å; Y483-P487 HydrophobicContact CE2-CG 4.22Å; Y483-P487 HydrophobicContact CG-CG 3.84Å; T485-P487 WeakPolarHBondContact O-CD 3.48Å; P487-H491 WeakPolarHBondContact O-CB 3.19Å; P487-H491 PolarHBondContact O-N 2.9Å
488	T	90.7	Very high	85.5	Confident	84 Å²	84	83.6 Å²	83.6	52%	0.515	49%	0.489	S	S	.	.	H	α-helix	trans	-65.6	-46.4	175.9	-60.4	0	0	0	0	110.3	S486 H491 W492	S486-T488 PolarHBondContact O-N 3.32Å; S486-T488 PolarHBondContact OG-N 3.46Å; T488-H491 WeakPolarHBondContact O-CB 3.09Å; T488-H491 PolarHBondContact O-N 2.67Å; T488-W492 PolarHBondContact O-N 2.82Å
489	D	92.2	Very high	84.7	Confident	102 Å²	102	89.7 Å²	89.7	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-69	-38.7	-179	-56.3	-1.2	0	0	0	110.5	S486 H491 W492 S493	S486-D489 WeakPolarHBondContact CB-OD2 3.19Å; S486-D489 PolarHBondContact O-N 3.48Å; S486-D489 PolarHBondContact OG-N 3.42Å; S486-D489 PolarHBondContact OG-OD1 3.11Å; S486-D489 PolarHBondContact OG-OD2 3.4Å; D489-H491 VanDerWaalsContact C-N 3.34Å; D489-W492 PolarHBondContact O-N 2.76Å; D489-S493 VanDerWaalsContact O-CB 3.23Å; D489-S493 WeakPolarHBondContact O-CB 3.42Å; D489-S493 PolarHBondContact O-N 3.16Å; D489-S493 PolarHBondContact O-OG 3.49Å
490	A	86.1	Confident	83.6	Confident	53 Å²	53	92.1 Å²	92.1	44%	0.438	54%	0.537	S	S	.	.	H	α-helix	trans	-61.5	-42.6	174.7	0	0	0	0	0	111.7	S486 S493 A494	S486-A490 PolarHBondContact O-N 2.9Å; A490-S493 PolarHBondContact O-N 3.39Å; A490-A494 WeakPolarHBondContact O-CB 3.34Å; A490-A494 PolarHBondContact O-N 2.92Å
491	H	87.8	Confident	82.2	Confident	107 Å²	107	91.8 Å²	91.8	50%	0.495	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-50.7	176.1	178.1	72.9	0	0	0	112	P487 T488 D489 S493 A494 I495	P487-H491 WeakPolarHBondContact O-CB 3.19Å; P487-H491 PolarHBondContact O-N 2.9Å; T488-H491 WeakPolarHBondContact O-CB 3.09Å; T488-H491 PolarHBondContact O-N 2.67Å; D489-H491 VanDerWaalsContact C-N 3.34Å; H491-S493 VanDerWaalsContact C-N 3.34Å; H491-S493 PolarHBondContact O-N 3.32Å; H491-A494 PolarHBondContact O-N 3.07Å; H491-I495 VanDerWaalsContact NE2-CD1 3.32Å; H491-I495 WeakPolarHBondContact NE2-CD1 3.31Å; H491-I495 PolarHBondContact O-N 2.8Å
492	W	88.9	Confident	80.7	Confident	157 Å²	157	93.3 Å²	93.3	60%	0.595	52%	0.523	S	S	*	.	H	α-helix	trans	-68.2	-33.1	179.4	-69.7	117.4	0	0	0	112.8	T488 D489 I495 S496	T488-W492 PolarHBondContact O-N 2.82Å; D489-W492 PolarHBondContact O-N 2.76Å; W492-I495 HydrophobicContact CE3-CD1 3.89Å; W492-I495 HydrophobicContact CZ3-CD1 3.9Å; W492-I495 PolarHBondContact O-N 3.45Å; W492-S496 WeakPolarHBondContact O-CB 3.49Å; W492-S496 PolarHBondContact O-N 3.24Å; W492-S496 PolarHBondContact O-OG 3.09Å
493	S	87.1	Confident	79	Confident	65 Å²	65	99.1 Å²	99.1	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-63.5	-42.5	173.2	-60.4	0	0	0	0	111.1	D489 A490 H491 S496 T497	D489-S493 VanDerWaalsContact O-CB 3.23Å; D489-S493 WeakPolarHBondContact O-CB 3.42Å; D489-S493 PolarHBondContact O-N 3.16Å; D489-S493 PolarHBondContact O-OG 3.49Å; A490-S493 PolarHBondContact O-N 3.39Å; H491-S493 VanDerWaalsContact C-N 3.34Å; H491-S493 PolarHBondContact O-N 3.32Å; S493-S496 WeakPolarHBondContact CA-OG 3.31Å; S493-S496 PolarHBondContact O-N 2.82Å; S493-S496 PolarHBondContact O-OG 2.99Å; S493-T497 WeakPolarHBondContact O-CB 3.33Å; S493-T497 PolarHBondContact O-N 3.42Å; S493-T497 PolarHBondContact O-OG1 2.99Å
494	A	84.1	Confident	77	Confident	41 Å²	41	102.6 Å²	102.6	34%	0.339	57%	0.569	S	S	.	*	H	α-helix	trans	-63	-44.2	175.7	0	0	0	0	0	112	A490 H491 T497 I498	A490-A494 WeakPolarHBondContact O-CB 3.34Å; A490-A494 PolarHBondContact O-N 2.92Å; H491-A494 PolarHBondContact O-N 3.07Å; A494-T497 PolarHBondContact O-N 3.43Å; A494-I498 WeakPolarHBondContact O-CG1 3.29Å; A494-I498 PolarHBondContact O-N 3Å
495	I	83.7	Confident	74.4	Confident	49 Å²	49	99.5 Å²	99.5	25%	0.251	56%	0.561	S	S	.	*	H	α-helix	trans	-61.5	-50.3	176.2	-69.4	173.8	0	0	0	110.8	H491 W492 T497 I498 E499	H491-I495 VanDerWaalsContact NE2-CD1 3.32Å; H491-I495 WeakPolarHBondContact NE2-CD1 3.31Å; H491-I495 PolarHBondContact O-N 2.8Å; W492-I495 HydrophobicContact CE3-CD1 3.89Å; W492-I495 HydrophobicContact CZ3-CD1 3.9Å; W492-I495 PolarHBondContact O-N 3.45Å; I495-T497 PolarHBondContact O-N 3.45Å; I495-I498 WeakPolarHBondContact O-CB 3.41Å; I495-I498 PolarHBondContact O-N 2.87Å; I495-E499 HydrophobicContact CG2-CG 4.25Å; I495-E499 PolarHBondContact O-N 2.84Å
496	S	80	Confident	71.8	Confident	65 Å²	65	101.4 Å²	101.4	46%	0.455	57%	0.567	S	S	.	*	H	α-helix	trans	-60.7	-31.1	179.9	65.8	0	0	0	0	112.6	W492 S493 A500	W492-S496 WeakPolarHBondContact O-CB 3.49Å; W492-S496 PolarHBondContact O-N 3.24Å; W492-S496 PolarHBondContact O-OG 3.09Å; S493-S496 WeakPolarHBondContact CA-OG 3.31Å; S493-S496 PolarHBondContact O-N 2.82Å; S493-S496 PolarHBondContact O-OG 2.99Å; S496-A500 VanDerWaalsContact O-CB 3.27Å; S496-A500 WeakPolarHBondContact O-CB 3.32Å; S496-A500 PolarHBondContact O-N 2.82Å
497	T	77.9	Confident	68.9	Low	93 Å²	93	103 Å²	103	57%	0.571	59%	0.59	S	S	*	*	H	α-helix	trans	-70.5	-39.4	174.5	-53.5	0	0	0	0	111.6	S493 A494 I495 A500	S493-T497 WeakPolarHBondContact O-CB 3.33Å; S493-T497 PolarHBondContact O-N 3.42Å; S493-T497 PolarHBondContact O-OG1 2.99Å; A494-T497 PolarHBondContact O-N 3.43Å; I495-T497 PolarHBondContact O-N 3.45Å; T497-A500 PolarHBondContact O-N 2.75Å
498	I	75.9	Confident	66.1	Low	94 Å²	94	106.2 Å²	106.2	48%	0.482	61%	0.609	S	S	.	*	H	α-helix	trans	-66.6	-42.9	175.5	-67.4	165	0	0	0	110.5	A494 I495 A500 L501 L515	A494-I498 WeakPolarHBondContact O-CG1 3.29Å; A494-I498 PolarHBondContact O-N 3Å; I495-I498 WeakPolarHBondContact O-CB 3.41Å; I495-I498 PolarHBondContact O-N 2.87Å; I498-A500 VanDerWaalsContact C-N 3.28Å; I498-A500 PolarHBondContact O-N 3.24Å; I498-L501 WeakPolarHBondContact O-CB 3.31Å; I498-L501 PolarHBondContact O-N 2.8Å; I498-L515 HydrophobicContact CD1-CD1 4.27Å
499	E	73	Confident	63.1	Low	156 Å²	156	113.6 Å²	113.6	73%	0.729	63%	0.627	S	S	*	*	H	α-helix	trans	-69.4	-23.8	178.2	-69.8	-178.8	164.2	0	0	113.2	I495 L501	I495-E499 HydrophobicContact CG2-CG 4.25Å; I495-E499 PolarHBondContact O-N 2.84Å; E499-L501 VanDerWaalsContact C-N 3.32Å
500	A	65.5	Low	60	Low	79 Å²	79	117.2 Å²	117.2	65%	0.653	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-6.5	176.3	0	0	0	0	0	114	S496 T497 I498	S496-A500 VanDerWaalsContact O-CB 3.27Å; S496-A500 WeakPolarHBondContact O-CB 3.32Å; S496-A500 PolarHBondContact O-N 2.82Å; T497-A500 PolarHBondContact O-N 2.75Å; I498-A500 VanDerWaalsContact C-N 3.28Å; I498-A500 PolarHBondContact O-N 3.24Å
501	L	55	Low	57.2	Low	120 Å²	120	122.8 Å²	122.8	63%	0.628	66%	0.66	S	S	*	*	S	Bend	trans	-71.1	126.6	172.3	-72.1	166.2	0	0	0	108.9	I498 E499 E503	I498-L501 WeakPolarHBondContact O-CB 3.31Å; I498-L501 PolarHBondContact O-N 2.8Å; E499-L501 VanDerWaalsContact C-N 3.32Å; L501-E503 PolarHBondContact O-N 2.75Å
502	P	50.4	Low	54.4	Low	112 Å²	112	124.8 Å²	124.8	73%	0.727	68%	0.68	S	S	*	*			trans	-58.7	126.4	-178	22.2	-31.1	0	0	0	109.6	F504	P502-F504 PolarHBondContact O-N 3.37Å
503	E	48.9	Very low	51.4	Low	184 Å²	184	122.4 Å²	122.4	86%	0.86	69%	0.688	S	S	*	*			trans	-47.2	114.3	173.4	-74.6	-175.5	158.5	0	0	108.7	L501 S505	L501-E503 PolarHBondContact O-N 2.75Å; E503-S505 PolarHBondContact O-N 3.23Å
504	F	41.1	Very low	48.7	Very low	207 Å²	207	123.6 Å²	123.6	91%	0.908	70%	0.701	S	S	*	*			trans	-63	92.1	163.1	-108	-88.1	0	0	0	106.8	P502 N506	P502-F504 PolarHBondContact O-N 3.37Å; F504-N506 PolarHBondContact O-N 2.95Å
505	S	31.9	Very low	46.1	Very low	103 Å²	103	128.9 Å²	128.9	72%	0.72	72%	0.723	S	S	*	*			trans	-63.5	77.5	162.3	41.4	0	0	0	0	108.4	E503	E503-S505 PolarHBondContact O-N 3.23Å
506	N	31.5	Very low	43.5	Very low	144 Å²	144	132 Å²	132	77%	0.77	75%	0.745	S	S	*	*	S	Bend	trans	170.1	109.7	139.8	-87.9	-24.5	0	0	0	110.2	F504 T508	F504-N506 PolarHBondContact O-N 2.95Å; N506-T508 PolarHBondContact O-N 3.21Å
507	G	28.7	Very low	41.1	Very low	79 Å²	79	134 Å²	134	81%	0.814	76%	0.758	S	S	*	*			trans	22.3	89.8	154.8	0	0	0	0	0	118.4
508	T	28.3	Very low	38.7	Very low	136 Å²	136	135.9 Å²	135.9	83%	0.834	77%	0.772	S	S	*	*			trans	-159.9	116.2	138	2	0	0	0	0	108.8	N506 M510	N506-T508 PolarHBondContact O-N 3.21Å; T508-M510 PolarHBondContact O-N 2.77Å; T508-M510 VanDerWaalsContact O-N 3.12Å
509	R	26.2	Very low	36.6	Very low	239 Å²	239	136.8 Å²	136.8	90%	0.902	79%	0.787	S	S	*	*			trans	-71.8	98.3	175.3	-175	-179.2	-177.2	177.4	-0.3	107.3
510	M	27.7	Very low	34.4	Very low	178 Å²	178	137.2 Å²	137.2	88%	0.877	79%	0.794	S	S	*	*			trans	-94.4	121.8	161.9	-91.8	-168.5	-179.2	0	0	108.8	T508 T512	T508-M510 PolarHBondContact O-N 2.77Å; T508-M510 VanDerWaalsContact O-N 3.12Å; M510-T512 PolarHBondContact O-N 3.49Å
511	E	27.3	Very low	32.6	Very low	170 Å²	170	138.4 Å²	138.4	79%	0.794	80%	0.797	S	S	*	*			trans	-63	116.2	171.6	-67	-179.1	151.9	0	0	109.3	S513	E511-S513 PolarHBondContact O-N 2.9Å; E511-S513 VanDerWaalsContact O-N 3.13Å
512	T	29.2	Very low	31.3	Very low	150 Å²	150	138.8 Å²	138.8	92%	0.92	81%	0.807	S	S	*	*			trans	-79.3	92.2	171.5	49.9	0	0	0	0	109.2	M510	M510-T512 PolarHBondContact O-N 3.49Å
513	S	27.1	Very low	30.1	Very low	107 Å²	107	141.3 Å²	141.3	75%	0.748	81%	0.814	S	S	*	*			trans	-101.5	133.8	158.9	60.2	0	0	0	0	109.8	E511	E511-S513 PolarHBondContact O-N 2.9Å; E511-S513 VanDerWaalsContact O-N 3.13Å
514	A	29.8	Very low	28.8	Very low	90 Å²	90	141.2 Å²	141.2	74%	0.744	81%	0.813	S	S	*	*			trans	83.3	92.1	168.2	0	0	0	0	0	118.1
515	L	28.3	Very low	28.1	Very low	151 Å²	151	137.8 Å²	137.8	79%	0.791	81%	0.809	S	S	*	*			trans	-85.6	100	146.2	-91.5	153.5	0	0	0	107.9	I498	I498-L515 HydrophobicContact CD1-CD1 4.27Å
516	T	29.3	Very low	27.7	Very low	116 Å²	116	144.4 Å²	144.4	71%	0.712	82%	0.818	S	S	*	*			trans	-125.3	116.4	161.6	47.1	0	0	0	0	109.3
517	S	29.4	Very low	27.5	Very low	106 Å²	106	140.4 Å²	140.4	74%	0.741	81%	0.811	S	S	*	*			trans	48.9	127.1	158.5	58.5	0	0	0	0	120.3	S519	S517-S519 PolarHBondContact O-N 2.9Å
518	P	29.1	Very low	27.6	Very low	133 Å²	133	144.9 Å²	144.9	86%	0.864	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-79.6	116.3	165.3	31.9	-26.7	0	0	0	109.6
519	S	31.3	Very low	27.3	Very low	112 Å²	112	142.3 Å²	142.3	78%	0.783	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-93.3	119.4	161.5	57.5	0	0	0	0	109.2	S517 S521	S517-S519 PolarHBondContact O-N 2.9Å; S519-S521 PolarHBondContact O-N 2.65Å
520	D	26.1	Very low	27.4	Very low	166 Å²	166	139.6 Å²	139.6	89%	0.888	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-60.1	119.3	168.3	-78	-45.4	0	0	0	111.2
521	S	27.6	Very low	27.3	Very low	103 Å²	103	137.3 Å²	137.3	72%	0.72	81%	0.807	S	S	*	*			trans	179.8	129.3	131.2	50.4	0	0	0	0	110.6	S519	S519-S521 PolarHBondContact O-N 2.65Å
522	P	27.7	Very low	27	Very low	129 Å²	129	137.4 Å²	137.4	84%	0.838	81%	0.808	S	S	*	*			trans	-87.7	111.8	172.9	31.6	-26.4	0	0	0	109.5	E524	P522-E524 PolarHBondContact O-N 2.77Å
523	L	25.6	Very low	27	Very low	164 Å²	164	137.8 Å²	137.8	86%	0.859	80%	0.804	S	S	*	*			trans	-75.5	108.5	161.8	-81.1	166	0	0	0	108.9	V525	L523-V525 PolarHBondContact O-N 3.04Å
524	E	21.8	Very low	26.9	Very low	182 Å²	182	140.4 Å²	140.4	85%	0.85	80%	0.804	S	S	*	*			trans	-61	122.7	158.1	-79.4	-173.6	132.8	0	0	109.6	P522	P522-E524 PolarHBondContact O-N 2.77Å
525	V	25.6	Very low	26.7	Very low	136 Å²	136	145.4 Å²	145.4	82%	0.824	81%	0.812	S	S	*	*			trans	-128.9	103.3	155.8	179.9	0	0	0	0	108.1	L523	L523-V525 PolarHBondContact O-N 3.04Å
526	R	24.3	Very low	26.7	Very low	241 Å²	241	143.3 Å²	143.3	91%	0.909	81%	0.81	S	S	*	*			trans	-95.3	120.4	164.4	-93.9	-175.2	171.9	-170.4	-0.3	109.3
527	G	27.4	Very low	26.9	Very low	60 Å²	60	143.9 Å²	143.9	62%	0.619	82%	0.816	S	S	*	*			trans	76	110.3	146	0	0	0	0	0	117.9
528	N	29.7	Very low	26.9	Very low	173 Å²	173	142.5 Å²	142.5	93%	0.925	82%	0.818	S	S	*	*				-170.3	143.9	96.2	-95.1	-19	0	0	0	112.5
529	A	23.8	Very low	26.7	Very low	82 Å²	82	144.7 Å²	144.7	68%	0.678	82%	0.823	S	S	*	*			trans	-69.6	145.6	-175.4	0	0	0	0	0	113.1
530	L	26.4	Very low	26.6	Very low	182 Å²	182	142.4 Å²	142.4	95%	0.953	82%	0.817	S	S	*	*			trans	-133.1	135.5	143.2	-78.9	174.6	0	0	0	109.3
531	V	26.4	Very low	26.5	Very low	130 Å²	130	139.6 Å²	139.6	79%	0.788	82%	0.817	S	S	*	*			trans	-89.5	142	-161.6	165.9	0	0	0	0	110.6
532	E	21.9	Very low	26.4	Very low	173 Å²	173	141.2 Å²	141.2	81%	0.808	82%	0.822	S	S	*	*			trans	-66.3	142.8	166.4	-75.8	-176.5	140.7	0	0	111.9
533	N	28	Very low	26.3	Very low	158 Å²	158	143.8 Å²	143.8	85%	0.845	82%	0.822	S	S	*	*			trans	-151.8	138	142.1	-108.1	-26	0	0	0	112.3
534	H	24.9	Very low	26.2	Very low	162 Å²	162	141.5 Å²	141.5	75%	0.75	82%	0.82	S	S	*	*			trans	-60.6	150.7	-172	-73.8	-78.6	0	0	0	117
535	Q	27.3	Very low	26.3	Very low	194 Å²	194	144.1 Å²	144.1	91%	0.907	82%	0.822	S	S	*	*				-179.3	129.2	109.7	-95.7	176.6	6.5	0	0	111.9
536	S	26.2	Very low	26.2	Very low	107 Å²	107	146.6 Å²	146.6	75%	0.748	83%	0.825	S	S	*	*			trans	-92.5	-173.7	174.3	-34.7	0	0	0	0	111
537	P	34.4	Very low	26.2	Very low	129 Å²	129	142.9 Å²	142.9	84%	0.838	82%	0.822	S	S	*	*			cis	-132.8	158.8	-29.3	24.3	-2.7	0	0	0	113.3
538	G	28.7	Very low	26.2	Very low	76 Å²	76	145.4 Å²	145.4	78%	0.784	83%	0.828	S	S	*	*			trans	-126.5	121.5	168.4	0	0	0	0	0	111.4
539	N	26.5	Very low	26	Very low	180 Å²	180	140.7 Å²	140.7	96%	0.963	82%	0.82	S	S	*	*			trans	-53.9	133.7	177.6	-79	-29.2	0	0	0	113.5
540	G	28.7	Very low	26.1	Very low	64 Å²	64	147.3 Å²	147.3	66%	0.66	83%	0.829	S	S	*	*			trans	-173.2	104.1	164.7	0	0	0	0	0	110.3	V542	G540-V542 PolarHBondContact O-N 2.93Å
541	A	24.7	Very low	26.3	Very low	107 Å²	107	143.3 Å²	143.3	88%	0.884	81%	0.814	S	S	*	*			trans	-57	119	178.9	0	0	0	0	0	111.3
542	V	25.5	Very low	26.6	Very low	136 Å²	136	146 Å²	146	82%	0.824	82%	0.818	S	S	*	*			trans	-100.9	110.4	167	178.6	0	0	0	0	107.6	G540 S544	G540-V542 PolarHBondContact O-N 2.93Å; V542-S544 PolarHBondContact O-N 2.89Å
543	Q	24.3	Very low	27.2	Very low	183 Å²	183	145.1 Å²	145.1	86%	0.855	81%	0.814	S	S	*	*			trans	-68.1	114.8	164.3	-75.9	178.4	-12.6	0	0	108.3	R545	Q543-R545 PolarHBondContact O-N 2.89Å
544	S	24.2	Very low	27.5	Very low	117 Å²	117	143 Å²	143	82%	0.818	80%	0.802	S	S	*	*			trans	-71	104	164.8	50	0	0	0	0	108.5	V542	V542-S544 PolarHBondContact O-N 2.89Å
545	R	24.4	Very low	28	Very low	236 Å²	236	141.8 Å²	141.8	89%	0.891	80%	0.8	S	S	*	*			trans	-89.1	110	170.2	-148.5	177.1	-173.3	-178.8	1.3	107.3	Q543 L547	Q543-R545 PolarHBondContact O-N 2.89Å; R545-L547 PolarHBondContact O-N 3.04Å
546	E	22.9	Very low	28.3	Very low	188 Å²	188	140.2 Å²	140.2	88%	0.879	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-59.1	122.4	168.5	-70.9	177.3	156.4	0	0	109
547	L	23.5	Very low	28.7	Very low	163 Å²	163	141.3 Å²	141.3	85%	0.853	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-83	133.3	166.3	-80.3	163.1	0	0	0	108.2	R545	R545-L547 PolarHBondContact O-N 3.04Å
548	P	27.3	Very low	29	Very low	113 Å²	113	137.8 Å²	137.8	73%	0.734	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-70.4	134.7	178.6	28.8	-32	0	0	0	110.3
549	G	27.1	Very low	29.4	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-62.4	136.1	178.4	0	0	0	0	0	112.7
550	Y	25.3	Very low	29.9	Very low	221 Å²	221	138.6 Å²	138.6	87%	0.867	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-69.2	131	166.7	-91.1	-95.8	0	0	0	109.8
551	P	30.6	Very low	30.3	Very low	98 Å²	98	140.5 Å²	140.5	64%	0.636	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-76.8	132.4	172.6	24.9	-20.3	0	0	0	110.2	H553	P551-H553 PolarHBondContact O-N 2.91Å
552	Q	31.5	Very low	31	Very low	186 Å²	186	138.3 Å²	138.3	87%	0.869	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	24.4	176.3	-90.4	-175.7	-12	0	0	115
553	H	35.1	Very low	31.5	Very low	156 Å²	156	139.5 Å²	139.5	72%	0.722	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-9.7	-172.6	-102.8	-76.8	0	0	0	115.9	P551	P551-H553 PolarHBondContact O-N 2.91Å
554	D	34.9	Very low	31.9	Very low	113 Å²	113	137.6 Å²	137.6	60%	0.604	68%	0.68	S	S	*	*	S	Bend	trans	-89.4	-11.7	-173.9	-81.2	-17.2	0	0	0	115.6
555	L	34.5	Very low	32.4	Very low	136 Å²	136	134.9 Å²	134.9	71%	0.712	66%	0.664	S	S	*	*	H	α-helix	trans	-76.6	-26.7	179.7	-83.9	156.6	0	0	0	113.3
556	F	33.8	Very low	33.2	Very low	162 Å²	162	128.6 Å²	128.6	71%	0.711	64%	0.641	S	S	*	*	H	α-helix	trans	-81.4	-25	-179.8	-89.8	-82.6	0	0	0	113.5	R560	F556-R560 PolarHBondContact O-N 3.32Å
557	E	34.7	Very low	33.6	Very low	129 Å²	129	122 Å²	122	60%	0.603	62%	0.616	S	S	*	*	H	α-helix	trans	-82	-35.2	-177.7	-132.4	174	-163.8	0	0	112.2	Q559 R560 N561	E557-Q559 VanDerWaalsContact C-N 3.33Å; E557-Q559 PolarHBondContact O-N 2.76Å; E557-R560 PolarHBondContact O-N 3.06Å; E557-N561 PolarHBondContact O-N 3.25Å
558	V	39.9	Very low	33.8	Very low	56 Å²	56	118.3 Å²	118.3	34%	0.339	62%	0.617	S	S	.	*	H	α-helix	trans	-65.5	-36.9	173.1	179.9	0	0	0	0	111.3	R560 N561	V558-R560 VanDerWaalsContact C-N 3.34Å; V558-R560 PolarHBondContact O-N 2.77Å; V558-N561 PolarHBondContact O-N 3.35Å
559	Q	37.8	Very low	33.8	Very low	85 Å²	85	122.6 Å²	122.6	40%	0.397	62%	0.62	S	S	.	*	H	α-helix	trans	-70.6	-26.3	175.7	-79.2	-177.9	-22.7	0	0	113.9	E557 L562	E557-Q559 VanDerWaalsContact C-N 3.33Å; E557-Q559 PolarHBondContact O-N 2.76Å; Q559-L562 HydrophobicContact CG-CD1 4.45Å; Q559-L562 WeakPolarHBondContact O-CB 3.5Å; Q559-L562 PolarHBondContact O-N 2.74Å
560	R	36.8	Very low	33.9	Very low	188 Å²	188	127.5 Å²	127.5	71%	0.709	62%	0.623	S	S	*	*	H	α-helix	trans	-73.1	-33.1	177.1	-146.9	-178.9	-155.2	164.2	5.4	112.1	F556 E557 V558 L562 Y563	F556-R560 PolarHBondContact O-N 3.32Å; E557-R560 PolarHBondContact O-N 3.06Å; V558-R560 VanDerWaalsContact C-N 3.34Å; V558-R560 PolarHBondContact O-N 2.77Å; R560-L562 VanDerWaalsContact C-N 3.28Å; R560-L562 PolarHBondContact O-N 3.07Å; R560-Y563 PolarHBondContact O-N 3.15Å; R560-Y563 VanDerWaalsContact O-N 3.13Å
561	N	37.3	Very low	34	Very low	103 Å²	103	124.4 Å²	124.4	55%	0.551	62%	0.62	S	S	*	*	H	α-helix	trans	-68.8	-26.1	175.5	-71.7	-23.9	0	0	0	112.6	E557 V558 Y563 Q564 A565	E557-N561 PolarHBondContact O-N 3.25Å; V558-N561 PolarHBondContact O-N 3.35Å; N561-Y563 PolarHBondContact O-N 2.79Å; N561-Q564 PolarHBondContact O-N 2.92Å; N561-A565 PolarHBondContact O-N 3.03Å
562	L	39.2	Very low	33.9	Very low	61 Å²	61	126.5 Å²	126.5	32%	0.319	63%	0.625	S	S	.	*	H	α-helix	trans	-60.5	-32.1	170	-71.5	167.3	0	0	0	111.9	Q559 R560 Y566	Q559-L562 HydrophobicContact CG-CD1 4.45Å; Q559-L562 WeakPolarHBondContact O-CB 3.5Å; Q559-L562 PolarHBondContact O-N 2.74Å; R560-L562 VanDerWaalsContact C-N 3.28Å; R560-L562 PolarHBondContact O-N 3.07Å; L562-Y566 WeakPolarHBondContact O-CD2 3.47Å
563	Y	36	Very low	33.9	Very low	162 Å²	162	123.5 Å²	123.5	64%	0.635	62%	0.622	S	S	*	*	H	α-helix	trans	-77.3	-30.7	-178.1	-143.5	-97	0	0	0	113	R560 N561 S567	R560-Y563 PolarHBondContact O-N 3.15Å; R560-Y563 VanDerWaalsContact O-N 3.13Å; N561-Y563 PolarHBondContact O-N 2.79Å; Y563-S567 PolarHBondContact O-OG 3.17Å
564	Q	33.4	Very low	33.7	Very low	143 Å²	143	119.7 Å²	119.7	67%	0.668	63%	0.625	S	S	*	*	H	α-helix	trans	-83.2	-22.7	-175.6	-72.6	-175	-12.6	0	0	114.1	N561	N561-Q564 PolarHBondContact O-N 2.92Å
565	A	34.7	Very low	33.4	Very low	59 Å²	59	123.8 Å²	123.8	49%	0.488	64%	0.64	S	S	.	*	H	α-helix	trans	-77.3	-23.4	176.9	0	0	0	0	0	113.4	N561	N561-A565 PolarHBondContact O-N 3.03Å
566	Y	40.9	Very low	33.2	Very low	104 Å²	104	125.6 Å²	125.6	41%	0.408	65%	0.651	S	S	.	*	H	α-helix	trans	-102.9	-16	-174.7	-74.7	-75	0	0	0	114.8	F469 L562	F469-Y566 HydrophobicContact CD2-CD1 4.01Å; F469-Y566 HydrophobicContact CD2-CG 4.04Å; F469-Y566 AromaticContact CE2-CD1 3.33Å; F469-Y566 HydrophobicContact CE2-CD1 3.33Å; F469-Y566 AromaticContact CE2-CE1 3.69Å; F469-Y566 HydrophobicContact CE2-CE1 3.69Å; F469-Y566 AromaticContact CE2-CG 3.81Å; F469-Y566 HydrophobicContact CE2-CG 3.81Å; F469-Y566 AromaticContact CZ-CD1 3.78Å; F469-Y566 HydrophobicContact CZ-CD1 3.78Å; F469-Y566 AromaticContact CZ-CE1 3.62Å; F469-Y566 HydrophobicContact CZ-CE1 3.62Å; F469-Y566 HydrophobicContact CZ-CG 4.29Å; L562-Y566 WeakPolarHBondContact O-CD2 3.47Å
567	S	31.2	Very low	33.2	Very low	50 Å²	50	121.1 Å²	121.1	35%	0.35	65%	0.65	S	S	.	*			trans	-95	108.3	168.2	61.9	0	0	0	0	109.7	Y563 Y569	Y563-S567 PolarHBondContact O-OG 3.17Å; S567-Y569 PolarHBondContact O-N 2.92Å
568	G	27.7	Very low	32.9	Very low	85 Å²	85	121.9 Å²	121.9	88%	0.876	66%	0.664	S	S	*	*			trans	-64.7	34.7	169.8	0	0	0	0	0	114.9
569	Y	27.8	Very low	32.5	Very low	204 Å²	204	123.9 Å²	123.9	80%	0.8	69%	0.686	S	S	*	*			trans	-115.2	100	170	-84.1	-83.6	0	0	0	109	S567 I571	S567-Y569 PolarHBondContact O-N 2.92Å; Y569-I571 PolarHBondContact O-N 3.13Å
570	Q	28.9	Very low	32.2	Very low	177 Å²	177	124.6 Å²	124.6	83%	0.827	71%	0.706	S	S	*	*			trans	-56.9	109	158	-86	-179.8	-24.5	0	0	108.4	L572	Q570-L572 PolarHBondContact O-N 2.91Å
571	I	26.9	Very low	31.9	Very low	156 Å²	156	119.8 Å²	119.8	80%	0.8	71%	0.707	S	S	*	*			trans	-75.6	106.1	155.8	-60.6	-179.1	0	0	0	105.4	Y569 P573	Y569-I571 PolarHBondContact O-N 3.13Å; I571-P573 WeakPolarHBondContact O-CD 3.39Å
572	L	29.3	Very low	31.6	Very low	141 Å²	141	122.6 Å²	122.6	74%	0.738	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-59.1	124.7	172.2	-71.3	166.2	0	0	0	109.2	Q570	Q570-L572 PolarHBondContact O-N 2.91Å
573	P	31.5	Very low	31.2	Very low	123 Å²	123	125.1 Å²	125.1	80%	0.799	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-71.4	147.4	169.5	28.6	-29.9	0	0	0	110.2	I571	I571-P573 WeakPolarHBondContact O-CD 3.39Å
574	G	30	Very low	31	Very low	76 Å²	76	122.5 Å²	122.5	78%	0.784	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-60.6	152.6	-158.2	0	0	0	0	0	116.9
575	Q	30	Very low	31.1	Very low	199 Å²	199	121.9 Å²	121.9	93%	0.93	76%	0.759	S	S	*	*			trans	-84.7	100.5	149.6	-82.1	-171.8	-19.5	0	0	108.2	G577	Q575-G577 PolarHBondContact O-N 2.85Å; Q575-G577 VanDerWaalsContact O-N 3.16Å
576	D	30.3	Very low	31.1	Very low	175 Å²	175	126.4 Å²	126.4	94%	0.936	77%	0.773	S	S	*	*			trans	-63.2	106	152.5	-82.1	-38.3	0	0	0	108
577	G	32.5	Very low	31	Very low	68 Å²	68	126.2 Å²	126.2	70%	0.701	79%	0.787	S	S	*	*			trans	-133.3	93.8	173.6	0	0	0	0	0	108.9	Q575 A579	Q575-G577 PolarHBondContact O-N 2.85Å; Q575-G577 VanDerWaalsContact O-N 3.16Å; G577-A579 PolarHBondContact O-N 3.11Å
578	T	29.1	Very low	31.2	Very low	145 Å²	145	131.6 Å²	131.6	89%	0.89	81%	0.812	S	S	*	*			trans	-51.2	130.9	168.3	49.5	0	0	0	0	111.9
579	A	30.8	Very low	32	Very low	97 Å²	97	133.1 Å²	133.1	80%	0.802	81%	0.806	S	S	*	*			trans	134.1	112.3	141.3	0	0	0	0	0	113.8	G577	G577-A579 PolarHBondContact O-N 3.11Å
580	A	32.5	Very low	32.9	Very low	100 Å²	100	133 Å²	133	83%	0.826	83%	0.831	S	S	*	*				146.2	122.3	119.6	0	0	0	0	0	111.1
581	A	29.7	Very low	33.1	Very low	87 Å²	87	130.9 Å²	130.9	72%	0.719	83%	0.831	S	S	*	*			trans	-51.2	139.7	172.6	0	0	0	0	0	113.1
582	N	32.5	Very low	33.4	Very low	162 Å²	162	129.5 Å²	129.5	87%	0.866	83%	0.833	S	S	*	*				-170.2	108.8	125.1	-92.6	-24	0	0	0	110.6
583	S	30.7	Very low	33.7	Very low	114 Å²	114	128.9 Å²	128.9	80%	0.797	84%	0.838	S	S	*	*			trans	-74.9	126.2	163	50.1	0	0	0	0	110.2
584	S	31.8	Very low	33.8	Very low	108 Å²	108	129.2 Å²	129.2	76%	0.755	84%	0.84	S	S	*	*			trans	-158.2	127.3	154.3	-73.2	0	0	0	0	109.4
585	P	34.5	Very low	34	Very low	129 Å²	129	132.6 Å²	132.6	84%	0.838	84%	0.844	S	S	*	*			trans	-94.4	135	178.7	35	-28.3	0	0	0	111.3
586	I	35	Very low	34.3	Very low	154 Å²	154	128.1 Å²	128.1	79%	0.79	84%	0.838	S	S	*	*			trans	-136.6	92.1	171.8	-63	-179.9	0	0	0	105.3
587	S	37.6	Very low	34.6	Very low	100 Å²	100	124.8 Å²	124.8	70%	0.699	83%	0.831	S	S	*	*				65.7	108.5	94.7	74.2	0	0	0	0	115.1
588	N	35.4	Very low	34.8	Very low	163 Å²	163	129.2 Å²	129.2	87%	0.872	84%	0.841	S	S	*	*			trans	-64.6	152.6	160.5	-80.7	-12.2	0	0	0	111.5
589	P	45.6	Very low	35.2	Very low	117 Å²	117	127.8 Å²	127.8	76%	0.76	84%	0.837	S	S	*	*				-152.6	177.6	118.6	38.9	-22.5	0	0	0	113.9
590	P	46.6	Very low	35.6	Very low	203 Å²	203	130.6 Å²	130.6	100%	1.318	84%	0.84	S	S	*	*			cis	-101.4	0	-28.6	33	-18.6	0	0	0	113.6

Retrieved 590 of 590 residues in 653 ms (Link to these results)

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