A0A087Y284_POEFO Loading...

MGAT4 family member C

AlphaFold DB , UniProt , Accession A0A087Y284, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 488 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.4	Very low	42.1	Very low	246 Å²	246	123.4 Å²	123.4	100%	1.212	70%	0.7	S	S	*	*				0	113.9	0	-150.9	156.5	167.5	0	0	106.6
2	S	31.2	Very low	42.5	Very low	111 Å²	111	124.9 Å²	124.9	78%	0.776	70%	0.7	S	S	*	*			trans	-59.3	174.5	177.4	-23	0	0	0	0	111.7
3	P	43.2	Very low	43	Very low	117 Å²	117	128.8 Å²	128.8	76%	0.76	70%	0.697	S	S	*	*			cis	-136.6	171.1	-7.6	23.7	1.2	0	0	0	115.1
4	S	40.5	Very low	43.4	Very low	102 Å²	102	127.9 Å²	127.9	71%	0.713	69%	0.691	S	S	*	*			trans	-32.2	142	157.5	50.6	0	0	0	0	118
5	D	36.6	Very low	44	Very low	141 Å²	141	125 Å²	125	75%	0.754	68%	0.679	S	S	*	*			trans	-118.8	100.2	155.6	-124.2	-18	0	0	0	110.3	I7	D5-I7 PolarHBondContact O-N 3.43Å
6	P	45.6	Very low	44.3	Very low	92 Å²	92	130.6 Å²	130.6	60%	0.597	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	16.2	-171.8	33.6	-33.5	0	0	0	114
7	I	45	Very low	44.6	Very low	120 Å²	120	132.8 Å²	132.8	62%	0.615	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-22.5	-170.8	-60.7	175.8	0	0	0	112.5	D5	D5-I7 PolarHBondContact O-N 3.43Å
8	S	44.2	Very low	44.9	Very low	90 Å²	90	129.1 Å²	129.1	63%	0.629	68%	0.677	S	S	*	*	H	α-helix	trans	-77	-36.9	-177.7	122.4	0	0	0	0	113.5	V10 R11 M12	S8-V10 PolarHBondContact O-N 2.85Å; S8-R11 PolarHBondContact O-N 3.1Å; S8-M12 PolarHBondContact O-N 2.89Å
9	S	44.9	Very low	45.1	Very low	54 Å²	54	127.4 Å²	127.4	38%	0.378	67%	0.668	S	S	.	*	H	α-helix	trans	-71.9	-27.3	-178	139.4	0	0	0	0	113.6	R13	S9-R13 PolarHBondContact O-N 3.33Å; S9-R13 PolarHBondContact OG-NH2 2.79Å; S9-R13 VanDerWaalsContact OG-NH2 3.11Å
10	V	49.3	Very low	45.2	Very low	86 Å²	86	126.8 Å²	126.8	52%	0.521	67%	0.666	S	S	.	*	H	α-helix	trans	-80.8	-37.1	178.7	-179.5	0	0	0	0	111	S8 R13 L14	S8-V10 PolarHBondContact O-N 2.85Å; V10-R13 PolarHBondContact O-N 3.14Å; V10-L14 HydrophobicContact CG1-CD1 4.14Å; V10-L14 PolarHBondContact O-N 3.04Å
11	R	46.7	Very low	45.2	Very low	198 Å²	198	128.2 Å²	128.2	75%	0.747	67%	0.667	S	S	*	*	H	α-helix	trans	-67.9	-39.6	178.1	-131.7	175.8	-174.1	-175.1	1.5	112.2	S8 V15	S8-R11 PolarHBondContact O-N 3.1Å; R11-V15 WeakPolarHBondContact O-CG2 3.48Å; R11-V15 PolarHBondContact O-N 2.79Å
12	M	47.1	Very low	45.6	Very low	142 Å²	142	122 Å²	122	70%	0.7	64%	0.636	S	S	*	*	H	α-helix	trans	-67.8	-37	175.8	-106.2	170.4	52.3	0	0	113.3	S8 V15 W16	S8-M12 PolarHBondContact O-N 2.89Å; M12-V15 PolarHBondContact O-N 3.19Å; M12-W16 PolarHBondContact O-N 3.1Å; M12-W16 VanDerWaalsContact O-N 3.14Å
13	R	49.9	Very low	46.2	Very low	175 Å²	175	126.4 Å²	126.4	66%	0.66	64%	0.635	S	S	*	*	H	α-helix	trans	-70.1	-30.8	177.7	-95.7	-176.8	-101.8	-139.5	-3.6	113.8	S9 V10 K17	S9-R13 PolarHBondContact O-N 3.33Å; S9-R13 PolarHBondContact OG-NH2 2.79Å; S9-R13 VanDerWaalsContact OG-NH2 3.11Å; V10-R13 PolarHBondContact O-N 3.14Å; R13-K17 PolarHBondContact O-N 3.36Å
14	L	48.7	Very low	46.2	Very low	116 Å²	116	125.6 Å²	125.6	61%	0.607	63%	0.631	S	S	*	*	H	α-helix	trans	-74	-36.8	174.9	-88.4	152.8	0	0	0	112.5	V10 S18	V10-L14 HydrophobicContact CG1-CD1 4.14Å; V10-L14 PolarHBondContact O-N 3.04Å; L14-S18 WeakPolarHBondContact O-CB 3.41Å; L14-S18 PolarHBondContact O-N 2.93Å; L14-S18 VanDerWaalsContact O-N 3.09Å
15	V	51.1	Low	46.3	Very low	85 Å²	85	126.6 Å²	126.6	52%	0.515	63%	0.628	S	S	.	*	H	α-helix	trans	-68.6	-39.9	176.6	173.9	0	0	0	0	111.4	R11 M12 S18 L19	R11-V15 WeakPolarHBondContact O-CG2 3.48Å; R11-V15 PolarHBondContact O-N 2.79Å; M12-V15 PolarHBondContact O-N 3.19Å; V15-S18 PolarHBondContact O-N 3.03Å; V15-L19 HydrophobicContact CG1-CD1 3.99Å; V15-L19 PolarHBondContact O-N 2.92Å
16	W	49.6	Very low	46.6	Very low	215 Å²	215	129.7 Å²	129.7	81%	0.814	63%	0.629	S	S	*	*	H	α-helix	trans	-69.1	-39.3	176.2	-118	47	0	0	0	113.2	M12 S18 L19 D20	M12-W16 PolarHBondContact O-N 3.1Å; M12-W16 VanDerWaalsContact O-N 3.14Å; W16-S18 VanDerWaalsContact C-N 3.3Å; W16-S18 PolarHBondContact O-N 2.89Å; W16-L19 PolarHBondContact O-N 2.83Å; W16-D20 PolarHBondContact O-N 3.48Å; W16-D20 VanDerWaalsContact O-N 3.13Å
17	K	50.1	Low	46.6	Very low	168 Å²	168	133.5 Å²	133.5	73%	0.73	64%	0.636	S	S	*	*	H	α-helix	trans	-66.4	-28.3	173.2	-85.8	-175.4	173.8	-178.6	0	113.4	R13 K21	R13-K17 PolarHBondContact O-N 3.36Å; K17-K21 PolarHBondContact O-N 3.45Å
18	S	49.8	Very low	46.7	Very low	66 Å²	66	138.2 Å²	138.2	46%	0.462	65%	0.647	S	S	.	*	H	α-helix	trans	-74.6	-42.1	174.9	-172.5	0	0	0	0	112.1	L14 V15 W16 D20 K21 M22	L14-S18 WeakPolarHBondContact O-CB 3.41Å; L14-S18 PolarHBondContact O-N 2.93Å; L14-S18 VanDerWaalsContact O-N 3.09Å; V15-S18 PolarHBondContact O-N 3.03Å; W16-S18 VanDerWaalsContact C-N 3.3Å; W16-S18 PolarHBondContact O-N 2.89Å; S18-D20 PolarHBondContact O-N 2.9Å; S18-K21 PolarHBondContact O-N 3.06Å; S18-M22 WeakPolarHBondContact O-CG 3.5Å; S18-M22 PolarHBondContact O-N 2.89Å; S18-M22 VanDerWaalsContact O-N 3.09Å
19	L	47.7	Very low	47	Very low	96 Å²	96	137.3 Å²	137.3	50%	0.503	64%	0.64	S	S	.	*	H	α-helix	trans	-66.9	-33.5	178.3	-83.7	158.9	0	0	0	113.4	V15 W16 M22 R23	V15-L19 HydrophobicContact CG1-CD1 3.99Å; V15-L19 PolarHBondContact O-N 2.92Å; W16-L19 PolarHBondContact O-N 2.83Å; L19-M22 HydrophobicContact CD2-CE 4.41Å; L19-M22 PolarHBondContact O-N 2.91Å; L19-R23 PolarHBondContact O-N 2.81Å
20	D	47.3	Very low	47.2	Very low	116 Å²	116	138.8 Å²	138.8	62%	0.62	65%	0.647	S	S	*	*	H	α-helix	trans	-77.3	-33.9	178	-142.4	17.3	0	0	0	112.2	W16 S18 M22 R23 C24	W16-D20 PolarHBondContact O-N 3.48Å; W16-D20 VanDerWaalsContact O-N 3.13Å; S18-D20 PolarHBondContact O-N 2.9Å; D20-M22 VanDerWaalsContact C-N 3.31Å; D20-M22 PolarHBondContact O-N 2.95Å; D20-R23 PolarHBondContact O-N 2.95Å; D20-C24 PolarHBondContact O-N 2.88Å
21	K	45.3	Very low	47.5	Very low	157 Å²	157	140.8 Å²	140.8	68%	0.683	65%	0.654	S	S	*	*	H	α-helix	trans	-64.8	-33.8	170.1	-118.1	176.8	178.2	-178.4	0	112.3	K17 S18 L25	K17-K21 PolarHBondContact O-N 3.45Å; S18-K21 PolarHBondContact O-N 3.06Å; K21-L25 PolarHBondContact O-N 3.45Å
22	M	43.1	Very low	47.9	Very low	115 Å²	115	135.2 Å²	135.2	57%	0.567	64%	0.643	S	S	*	*	H	α-helix	trans	-77.5	-19.7	177.7	-72.6	-161.1	-69.7	0	0	114.2	S18 L19 D20	S18-M22 WeakPolarHBondContact O-CG 3.5Å; S18-M22 PolarHBondContact O-N 2.89Å; S18-M22 VanDerWaalsContact O-N 3.09Å; L19-M22 HydrophobicContact CD2-CE 4.41Å; L19-M22 PolarHBondContact O-N 2.91Å; D20-M22 VanDerWaalsContact C-N 3.31Å; D20-M22 PolarHBondContact O-N 2.95Å
23	R	44.1	Very low	48.4	Very low	203 Å²	203	135.6 Å²	135.6	77%	0.766	64%	0.641	S	S	*	*	H	α-helix	trans	-83.1	-30.1	173.6	-90.9	-179.1	171.6	179.1	-2	113.8	L19 D20	L19-R23 PolarHBondContact O-N 2.81Å; D20-R23 PolarHBondContact O-N 2.95Å
24	C	44.3	Very low	49.1	Very low	100 Å²	100	132.3 Å²	132.3	68%	0.676	64%	0.636	S	S	*	*	H	α-helix	trans	-80.2	-24.7	176	-89.8	0	0	0	0	114.4	D20	D20-C24 PolarHBondContact O-N 2.88Å
25	L	42.2	Very low	50.1	Low	124 Å²	124	128.4 Å²	128.4	65%	0.649	62%	0.624	S	S	*	*	H	α-helix	trans	-79.5	-22.6	177.1	-79.5	161.3	0	0	0	113.6	K21	K21-L25 PolarHBondContact O-N 3.45Å
26	R	42.8	Very low	51.2	Low	205 Å²	205	131.3 Å²	131.3	77%	0.774	63%	0.63	S	S	*	*	H	α-helix	trans	-79.9	-18.4	-177.5	-156.5	173.5	175.6	-174.7	-2.1	114.1
27	K	44.6	Very low	52.3	Low	172 Å²	172	125 Å²	125	75%	0.748	61%	0.611	S	S	*	*	H	α-helix	trans	-97.8	-14.2	176.5	-78.9	-172.3	175.2	-176.1	0	114.8
28	R	48.3	Very low	53.4	Low	220 Å²	220	121.3 Å²	121.3	83%	0.83	60%	0.599	S	S	*	*	H	α-helix	trans	-95.5	-15.2	178.1	-116.4	178.2	-179.4	176.5	-0.3	114.3	P32	R28-P32 VanDerWaalsContact O-CD 3.32Å; R28-P32 WeakPolarHBondContact O-CD 3.42Å; R28-P32 WeakPolarHBondContact O-CG 3.37Å
29	S	50	Low	54.5	Low	71 Å²	71	122.2 Å²	122.2	50%	0.497	60%	0.601	S	S	.	*	S	Bend	trans	-96.6	-26.8	-177.8	-167.5	0	0	0	0	113.6	P32 F33	S29-P32 WeakPolarHBondContact O-CD 3.26Å; S29-F33 WeakPolarHBondContact O-CB 3.48Å; S29-F33 PolarHBondContact O-N 2.93Å
30	T	49.3	Very low	55.8	Low	84 Å²	84	122.8 Å²	122.8	52%	0.515	60%	0.6	S	S	.	*	H	α-helix	trans	-76.5	-29.5	-175	49.2	0	0	0	0	114.3	L34	T30-L34 VanDerWaalsContact O-CB 3.31Å; T30-L34 WeakPolarHBondContact O-CB 3.49Å; T30-L34 PolarHBondContact O-N 3.47Å
31	I	55.6	Low	56.8	Low	129 Å²	129	121.7 Å²	121.7	66%	0.662	59%	0.594	S	S	*	*	H	α-helix	trans	-71.4	-49.1	179.5	-57.2	175	0	0	0	112.2	F33 L34 G35	I31-F33 VanDerWaalsContact C-N 3.31Å; I31-F33 PolarHBondContact O-N 2.78Å; I31-L34 PolarHBondContact O-N 3.27Å; I31-G35 PolarHBondContact O-N 2.86Å
32	P	55.3	Low	57.9	Low	81 Å²	81	119 Å²	119	53%	0.526	59%	0.587	S	S	.	*	H	α-helix	trans	-68.7	-30.2	176.1	24.8	-32	0	0	0	112.5	R28 S29 F36	R28-P32 VanDerWaalsContact O-CD 3.32Å; R28-P32 WeakPolarHBondContact O-CD 3.42Å; R28-P32 WeakPolarHBondContact O-CG 3.37Å; S29-P32 WeakPolarHBondContact O-CD 3.26Å; P32-F36 VanDerWaalsContact O-CB 3.29Å; P32-F36 WeakPolarHBondContact O-CB 3.2Å; P32-F36 PolarHBondContact O-N 2.79Å
33	F	58.3	Low	58.9	Low	149 Å²	149	120.3 Å²	120.3	65%	0.654	59%	0.589	S	S	*	*	H	α-helix	trans	-70.4	-37.9	176.8	-139.3	-89.3	0	0	0	112.4	S29 I31 L37	S29-F33 WeakPolarHBondContact O-CB 3.48Å; S29-F33 PolarHBondContact O-N 2.93Å; I31-F33 VanDerWaalsContact C-N 3.31Å; I31-F33 PolarHBondContact O-N 2.78Å; F33-L37 VanDerWaalsContact O-CB 3.27Å; F33-L37 WeakPolarHBondContact O-CB 3.08Å; F33-L37 PolarHBondContact O-N 2.82Å
34	L	62.8	Low	59.8	Low	106 Å²	106	113.9 Å²	113.9	56%	0.555	57%	0.57	S	S	*	*	H	α-helix	trans	-70.8	-39.2	175.7	-164.2	70.6	0	0	0	111.4	T30 I31 L37 I38	T30-L34 VanDerWaalsContact O-CB 3.31Å; T30-L34 WeakPolarHBondContact O-CB 3.49Å; T30-L34 PolarHBondContact O-N 3.47Å; I31-L34 PolarHBondContact O-N 3.27Å; L34-L37 PolarHBondContact O-N 2.84Å; L34-I38 HydrophobicContact CG-CD1 4.19Å; L34-I38 WeakPolarHBondContact O-CB 3.08Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.46Å; L34-I38 PolarHBondContact O-N 2.8Å
35	G	71.2	Confident	60.3	Low	34 Å²	34	114.1 Å²	114.1	35%	0.351	56%	0.564	S	S	.	*	H	α-helix	trans	-62.3	-44.4	172.1	0	0	0	0	0	112.5	I31 I38 T39	I31-G35 PolarHBondContact O-N 2.86Å; G35-I38 PolarHBondContact O-N 2.63Å; G35-T39 WeakPolarHBondContact O-CB 3.41Å; G35-T39 PolarHBondContact O-N 2.71Å; G35-T39 PolarHBondContact O-OG1 2.94Å
36	F	74.1	Confident	60.8	Low	147 Å²	147	113.2 Å²	113.2	65%	0.645	56%	0.56	S	S	*	*	H	α-helix	trans	-65.1	-40.3	175.5	-169.7	-94.6	0	0	0	111.8	P32 T39 F40	P32-F36 VanDerWaalsContact O-CB 3.29Å; P32-F36 WeakPolarHBondContact O-CB 3.2Å; P32-F36 PolarHBondContact O-N 2.79Å; F36-T39 PolarHBondContact O-N 2.81Å; F36-F40 WeakPolarHBondContact O-CB 3.3Å; F36-F40 PolarHBondContact O-N 2.9Å
37	L	71.4	Confident	61.3	Low	82 Å²	82	112 Å²	112	43%	0.429	56%	0.556	S	S	.	*	H	α-helix	trans	-64.9	-43.4	176.9	-172.3	71.8	0	0	0	112	F33 L34 F40 L41	F33-L37 VanDerWaalsContact O-CB 3.27Å; F33-L37 WeakPolarHBondContact O-CB 3.08Å; F33-L37 PolarHBondContact O-N 2.82Å; L34-L37 PolarHBondContact O-N 2.84Å; L37-F40 PolarHBondContact O-N 2.89Å; L37-L41 HydrophobicContact CG-CD1 4.01Å; L37-L41 VanDerWaalsContact O-CB 3.29Å; L37-L41 WeakPolarHBondContact O-CB 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.37Å; L37-L41 PolarHBondContact O-N 2.98Å
38	I	73.4	Confident	61.7	Low	91 Å²	91	107.7 Å²	107.7	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-65.6	-43.1	176.8	-68.8	166.6	0	0	0	110.4	L34 G35 L41 L42	L34-I38 HydrophobicContact CG-CD1 4.19Å; L34-I38 WeakPolarHBondContact O-CB 3.08Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.46Å; L34-I38 PolarHBondContact O-N 2.8Å; G35-I38 PolarHBondContact O-N 2.63Å; I38-L41 PolarHBondContact O-N 3.47Å; I38-L42 HydrophobicContact CG2-CD1 3.96Å; I38-L42 WeakPolarHBondContact O-CB 3.3Å; I38-L42 WeakPolarHBondContact O-CG 3.34Å; I38-L42 PolarHBondContact O-N 2.77Å
39	T	72.7	Confident	61.8	Low	84 Å²	84	103.4 Å²	103.4	52%	0.515	53%	0.53	S	S	.	.	H	α-helix	trans	-66.8	-39.3	178.2	-46.3	0	0	0	0	111	G35 F36 L42 F43	G35-T39 WeakPolarHBondContact O-CB 3.41Å; G35-T39 PolarHBondContact O-N 2.71Å; G35-T39 PolarHBondContact O-OG1 2.94Å; F36-T39 PolarHBondContact O-N 2.81Å; T39-L42 PolarHBondContact O-N 3.36Å; T39-F43 WeakPolarHBondContact O-CB 3.19Å; T39-F43 PolarHBondContact O-N 3.36Å
40	F	75	Confident	61.8	Low	108 Å²	108	105.8 Å²	105.8	47%	0.474	54%	0.537	S	S	.	.	H	α-helix	trans	-68.6	-37.7	176.1	-177.9	-107.1	0	0	0	112.3	F36 L37 F43 L44	F36-F40 WeakPolarHBondContact O-CB 3.3Å; F36-F40 PolarHBondContact O-N 2.9Å; L37-F40 PolarHBondContact O-N 2.89Å; F40-F43 PolarHBondContact O-N 3.08Å; F40-L44 HydrophobicContact CD1-CD1 3.66Å; F40-L44 HydrophobicContact CD1-CG 4.5Å; F40-L44 HydrophobicContact CE1-CD1 3.27Å; F40-L44 HydrophobicContact CE1-CG 4.2Å; F40-L44 HydrophobicContact CE2-CD1 4.44Å; F40-L44 HydrophobicContact CG-CD1 4.41Å; F40-L44 HydrophobicContact CZ-CD1 3.71Å; F40-L44 HydrophobicContact CZ-CG 4.23Å; F40-L44 VanDerWaalsContact O-CB 3.32Å; F40-L44 WeakPolarHBondContact O-CB 3.1Å; F40-L44 WeakPolarHBondContact O-CG 3.31Å; F40-L44 PolarHBondContact O-N 2.81Å
41	L	69.7	Low	61.5	Low	93 Å²	93	103.2 Å²	103.2	49%	0.487	53%	0.527	S	S	.	.	H	α-helix	trans	-70	-36.3	173.7	-73.8	169.7	0	0	0	112.1	L37 I38 L44 N45	L37-L41 HydrophobicContact CG-CD1 4.01Å; L37-L41 VanDerWaalsContact O-CB 3.29Å; L37-L41 WeakPolarHBondContact O-CB 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.37Å; L37-L41 PolarHBondContact O-N 2.98Å; I38-L41 PolarHBondContact O-N 3.47Å; L41-L44 PolarHBondContact O-N 2.04Å; L41-N45 WeakPolarHBondContact O-CB 3.47Å; L41-N45 PolarHBondContact O-N 3.24Å
42	L	66.8	Low	61	Low	102 Å²	102	105.6 Å²	105.6	53%	0.534	53%	0.529	S	S	.	.	H	α-helix	trans	-67.2	-41	171.9	-77.1	166.8	0	0	0	111.4	I38 T39 N45 L46	I38-L42 HydrophobicContact CG2-CD1 3.96Å; I38-L42 WeakPolarHBondContact O-CB 3.3Å; I38-L42 WeakPolarHBondContact O-CG 3.34Å; I38-L42 PolarHBondContact O-N 2.77Å; T39-L42 PolarHBondContact O-N 3.36Å; L42-N45 PolarHBondContact O-N 3.32Å; L42-L46 WeakPolarHBondContact O-CB 3.24Å; L42-L46 WeakPolarHBondContact O-CG 3.25Å; L42-L46 PolarHBondContact O-N 3.49Å
43	F	64.9	Low	60.6	Low	142 Å²	142	106.2 Å²	106.2	62%	0.623	53%	0.531	S	S	*	.	H	α-helix	trans	-66.9	-39	174.5	-125.6	-88.8	0	0	0	111.7	T39 F40 L46 Y47	T39-F43 WeakPolarHBondContact O-CB 3.19Å; T39-F43 PolarHBondContact O-N 3.36Å; F40-F43 PolarHBondContact O-N 3.08Å; F43-L46 PolarHBondContact O-N 2.89Å; F43-Y47 WeakPolarHBondContact O-CB 3.49Å; F43-Y47 PolarHBondContact O-N 3.37Å
44	L	62.5	Low	59.9	Low	68 Å²	68	104.1 Å²	104.1	36%	0.356	53%	0.526	S	S	.	.	H	α-helix	trans	-64.9	-41.9	172.3	-84.3	167.4	0	0	0	111.4	F40 L41 Y47 I48	F40-L44 HydrophobicContact CD1-CD1 3.66Å; F40-L44 HydrophobicContact CD1-CG 4.5Å; F40-L44 HydrophobicContact CE1-CD1 3.27Å; F40-L44 HydrophobicContact CE1-CG 4.2Å; F40-L44 HydrophobicContact CE2-CD1 4.44Å; F40-L44 HydrophobicContact CG-CD1 4.41Å; F40-L44 HydrophobicContact CZ-CD1 3.71Å; F40-L44 HydrophobicContact CZ-CG 4.23Å; F40-L44 VanDerWaalsContact O-CB 3.32Å; F40-L44 WeakPolarHBondContact O-CB 3.1Å; F40-L44 WeakPolarHBondContact O-CG 3.31Å; F40-L44 PolarHBondContact O-N 2.81Å; L41-L44 PolarHBondContact O-N 2.04Å; L44-Y47 PolarHBondContact O-N 3.1Å; L44-I48 HydrophobicContact CB-CD1 4.35Å; L44-I48 WeakPolarHBondContact O-CB 3.4Å; L44-I48 VanDerWaalsContact O-CD1 3.32Å; L44-I48 WeakPolarHBondContact O-CD1 3.36Å; L44-I48 WeakPolarHBondContact O-CG1 3.36Å; L44-I48 PolarHBondContact O-N 3.26Å
45	N	55.3	Low	59.3	Low	104 Å²	104	105.3 Å²	105.3	56%	0.556	53%	0.529	S	S	*	.	H	α-helix	trans	-63.6	-43	175.9	-107.4	-17.1	0	0	0	112	L41 L42 I48 E49	L41-N45 WeakPolarHBondContact O-CB 3.47Å; L41-N45 PolarHBondContact O-N 3.24Å; L42-N45 PolarHBondContact O-N 3.32Å; N45-I48 PolarHBondContact O-N 2.74Å; N45-E49 WeakPolarHBondContact O-CB 3.19Å; N45-E49 PolarHBondContact O-N 2.69Å
46	L	53.7	Low	58.2	Low	106 Å²	106	105.2 Å²	105.2	56%	0.555	53%	0.528	S	S	*	.	H	α-helix	trans	-65.6	-39.6	175.5	-74.6	164.3	0	0	0	112	L42 F43 D50	L42-L46 WeakPolarHBondContact O-CB 3.24Å; L42-L46 WeakPolarHBondContact O-CG 3.25Å; L42-L46 PolarHBondContact O-N 3.49Å; F43-L46 PolarHBondContact O-N 2.89Å; L46-D50 PolarHBondContact O-N 3.24Å
47	Y	52.6	Low	57	Low	180 Å²	180	102.6 Å²	102.6	71%	0.706	52%	0.52	S	S	*	.	H	α-helix	trans	-74.9	-28.9	178.4	-152.4	-89	0	0	0	112.7	F43 L44 G51	F43-Y47 WeakPolarHBondContact O-CB 3.49Å; F43-Y47 PolarHBondContact O-N 3.37Å; L44-Y47 PolarHBondContact O-N 3.1Å; Y47-G51 PolarHBondContact O-N 2.89Å
48	I	53.4	Low	55.8	Low	80 Å²	80	104.6 Å²	104.6	41%	0.41	53%	0.526	S	S	.	.	H	α-helix	trans	-73.6	-41.9	173.1	-71.6	165.7	0	0	0	109.5	L44 N45 G51 Y52	L44-I48 HydrophobicContact CB-CD1 4.35Å; L44-I48 WeakPolarHBondContact O-CB 3.4Å; L44-I48 VanDerWaalsContact O-CD1 3.32Å; L44-I48 WeakPolarHBondContact O-CD1 3.36Å; L44-I48 WeakPolarHBondContact O-CG1 3.36Å; L44-I48 PolarHBondContact O-N 3.26Å; N45-I48 PolarHBondContact O-N 2.74Å; I48-G51 PolarHBondContact O-N 3.33Å; I48-Y52 HydrophobicContact CG2-CD2 3.57Å; I48-Y52 HydrophobicContact CG2-CE2 3.44Å; I48-Y52 VanDerWaalsContact CG2-CE2 3.44Å; I48-Y52 WeakPolarHBondContact O-CD2 3.37Å; I48-Y52 PolarHBondContact O-N 3.3Å
49	E	50.8	Low	54.6	Low	130 Å²	130	108.6 Å²	108.6	61%	0.607	54%	0.535	S	S	*	.	H	α-helix	trans	-62.9	-48.6	173.7	-85.7	-169.6	151.8	0	0	112.4	N45 G51 Y52 V53	N45-E49 WeakPolarHBondContact O-CB 3.19Å; N45-E49 PolarHBondContact O-N 2.69Å; E49-G51 VanDerWaalsContact C-N 3.3Å; E49-G51 PolarHBondContact O-N 2.82Å; E49-Y52 PolarHBondContact O-N 2.88Å; E49-V53 VanDerWaalsContact O-CG2 3.3Å; E49-V53 WeakPolarHBondContact O-CG2 2.99Å; E49-V53 PolarHBondContact O-N 2.84Å
50	D	48.8	Very low	53.4	Low	122 Å²	122	111.2 Å²	111.2	65%	0.652	54%	0.541	S	S	*	.	H	α-helix	trans	-65.7	-33.5	176.3	-96.9	-15.2	0	0	0	112.1	L46 L54	L46-D50 PolarHBondContact O-N 3.24Å; D50-L54 WeakPolarHBondContact O-CB 3.26Å; D50-L54 PolarHBondContact O-N 2.83Å
51	G	43.5	Very low	51.9	Low	29 Å²	29	112.4 Å²	112.4	30%	0.299	55%	0.552	S	S	.	*	H	α-helix	trans	-63.6	-46.1	173.7	0	0	0	0	0	112.6	Y47 I48 E49 L54 E55	Y47-G51 PolarHBondContact O-N 2.89Å; I48-G51 PolarHBondContact O-N 3.33Å; E49-G51 VanDerWaalsContact C-N 3.3Å; E49-G51 PolarHBondContact O-N 2.82Å; G51-L54 PolarHBondContact O-N 2.73Å; G51-E55 WeakPolarHBondContact O-CB 3.19Å; G51-E55 PolarHBondContact O-N 2.66Å
52	Y	44.7	Very low	50.6	Low	180 Å²	180	117.6 Å²	117.6	71%	0.706	57%	0.565	S	S	*	*	H	α-helix	trans	-67.3	-34.9	177.5	-85.2	-69.6	0	0	0	112.9	I48 E49 G56	I48-Y52 HydrophobicContact CG2-CD2 3.57Å; I48-Y52 HydrophobicContact CG2-CE2 3.44Å; I48-Y52 VanDerWaalsContact CG2-CE2 3.44Å; I48-Y52 WeakPolarHBondContact O-CD2 3.37Å; I48-Y52 PolarHBondContact O-N 3.3Å; E49-Y52 PolarHBondContact O-N 2.88Å; Y52-G56 PolarHBondContact O-N 2.73Å
53	V	46.8	Very low	49.3	Very low	94 Å²	94	119.2 Å²	119.2	57%	0.57	57%	0.57	S	S	*	*	H	α-helix	trans	-70.1	-44.9	176.7	174.6	0	0	0	0	110.8	E49 G56 D57	E49-V53 VanDerWaalsContact O-CG2 3.3Å; E49-V53 WeakPolarHBondContact O-CG2 2.99Å; E49-V53 PolarHBondContact O-N 2.84Å; V53-G56 PolarHBondContact O-N 2.63Å; V53-D57 PolarHBondContact O-N 2.76Å
54	L	44.1	Very low	48.2	Very low	104 Å²	104	116.7 Å²	116.7	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-72.7	-33.6	-179.9	-155.1	86.8	0	0	0	113.1	D50 G51 K58	D50-L54 WeakPolarHBondContact O-CB 3.26Å; D50-L54 PolarHBondContact O-N 2.83Å; G51-L54 PolarHBondContact O-N 2.73Å; L54-K58 WeakPolarHBondContact O-CB 3.39Å; L54-K58 WeakPolarHBondContact O-CG 3.39Å; L54-K58 PolarHBondContact O-N 2.84Å; L54-K58 VanDerWaalsContact O-N 3.1Å
55	E	49	Very low	47.3	Very low	132 Å²	132	117.9 Å²	117.9	62%	0.617	59%	0.589	S	S	*	*	H	α-helix	trans	-76.3	-29.9	175.1	-153.2	110.9	-140.3	0	0	111.5	G51 R59	G51-E55 WeakPolarHBondContact O-CB 3.19Å; G51-E55 PolarHBondContact O-N 2.66Å; E55-R59 WeakPolarHBondContact O-CB 3.42Å; E55-R59 PolarHBondContact O-N 3.29Å
56	G	48.9	Very low	46.8	Very low	32 Å²	32	118 Å²	118	33%	0.33	59%	0.593	S	S	.	*	H	α-helix	trans	-63.8	-45.8	169.9	0	0	0	0	0	112.7	Y52 V53 R59 Q60	Y52-G56 PolarHBondContact O-N 2.73Å; V53-G56 PolarHBondContact O-N 2.63Å; G56-R59 PolarHBondContact O-N 3.15Å; G56-Q60 PolarHBondContact O-N 3.4Å
57	D	49.3	Very low	46.1	Very low	91 Å²	91	121.3 Å²	121.3	49%	0.487	61%	0.606	S	S	.	*	H	α-helix	trans	-66.6	-38.7	174.9	-85.5	-3.7	0	0	0	112.1	V53 Q60 L61	V53-D57 PolarHBondContact O-N 2.76Å; D57-Q60 PolarHBondContact O-N 2.89Å; D57-L61 WeakPolarHBondContact O-CB 3.49Å; D57-L61 WeakPolarHBondContact O-CD1 3.08Å; D57-L61 WeakPolarHBondContact O-CG 3.2Å; D57-L61 PolarHBondContact O-N 2.85Å
58	K	46.9	Very low	45.5	Very low	125 Å²	125	118.1 Å²	118.1	54%	0.543	61%	0.607	S	S	.	*	H	α-helix	trans	-70.4	-31.7	175.2	-75.6	178.2	-176.8	174	0	113.1	L54 R62	L54-K58 WeakPolarHBondContact O-CB 3.39Å; L54-K58 WeakPolarHBondContact O-CG 3.39Å; L54-K58 PolarHBondContact O-N 2.84Å; L54-K58 VanDerWaalsContact O-N 3.1Å; K58-R62 WeakPolarHBondContact O-CB 3.32Å; K58-R62 PolarHBondContact O-N 2.89Å
59	R	46.8	Very low	44.7	Very low	175 Å²	175	119.9 Å²	119.9	66%	0.66	62%	0.624	S	S	*	*	H	α-helix	trans	-70.1	-42	171.3	-96.4	-177.6	171.1	172.5	-2.1	111.7	E55 G56 L61 R62 E63	E55-R59 WeakPolarHBondContact O-CB 3.42Å; E55-R59 PolarHBondContact O-N 3.29Å; G56-R59 PolarHBondContact O-N 3.15Å; R59-L61 VanDerWaalsContact C-N 3.33Å; R59-L61 PolarHBondContact O-N 2.87Å; R59-R62 PolarHBondContact O-N 3.32Å; R59-E63 WeakPolarHBondContact O-CB 3.2Å; R59-E63 WeakPolarHBondContact O-CG 2.79Å; R59-E63 PolarHBondContact O-N 3.48Å
60	Q	47.5	Very low	44	Very low	138 Å²	138	118 Å²	118	65%	0.645	63%	0.625	S	S	*	*	H	α-helix	trans	-61.3	-40.1	172.9	-82.9	-172.1	0.2	0	0	112.4	G56 D57 A64	G56-Q60 PolarHBondContact O-N 3.4Å; D57-Q60 PolarHBondContact O-N 2.89Å; Q60-A64 WeakPolarHBondContact O-CB 3.19Å; Q60-A64 PolarHBondContact O-N 3.09Å; Q60-A64 VanDerWaalsContact O-N 3.12Å
61	L	44.9	Very low	43.9	Very low	134 Å²	134	116.7 Å²	116.7	70%	0.702	63%	0.625	S	S	*	*	H	α-helix	trans	-70.9	-27.1	176.1	-75.7	162.1	0	0	0	113.4	D57 R59	D57-L61 WeakPolarHBondContact O-CB 3.49Å; D57-L61 WeakPolarHBondContact O-CD1 3.08Å; D57-L61 WeakPolarHBondContact O-CG 3.2Å; D57-L61 PolarHBondContact O-N 2.85Å; R59-L61 VanDerWaalsContact C-N 3.33Å; R59-L61 PolarHBondContact O-N 2.87Å
62	R	40.9	Very low	43.6	Very low	201 Å²	201	123.7 Å²	123.7	76%	0.758	65%	0.65	S	S	*	*	H	α-helix	trans	-83.5	-34.4	174.1	-95	-174.2	171.3	-161.6	-1.2	113.3	K58 R59 A64 S65	K58-R62 WeakPolarHBondContact O-CB 3.32Å; K58-R62 PolarHBondContact O-N 2.89Å; R59-R62 PolarHBondContact O-N 3.32Å; R62-A64 VanDerWaalsContact C-N 3.33Å; R62-S65 PolarHBondContact O-N 3.2Å; R62-S65 PolarHBondContact O-OG 3.36Å
63	E	40.4	Very low	43.3	Very low	136 Å²	136	126 Å²	126	64%	0.636	66%	0.657	S	S	*	*	H	α-helix	trans	-74.8	-24.5	177.3	-76.2	175.3	174.6	0	0	112.3	R59 S65	R59-E63 WeakPolarHBondContact O-CB 3.2Å; R59-E63 WeakPolarHBondContact O-CG 2.79Å; R59-E63 PolarHBondContact O-N 3.48Å; E63-S65 PolarHBondContact O-N 3.42Å
64	A	42.2	Very low	42.9	Very low	90 Å²	90	130.1 Å²	130.1	74%	0.744	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-10.6	169.6	0	0	0	0	0	114.3	Q60 R62	Q60-A64 WeakPolarHBondContact O-CB 3.19Å; Q60-A64 PolarHBondContact O-N 3.09Å; Q60-A64 VanDerWaalsContact O-N 3.12Å; R62-A64 VanDerWaalsContact C-N 3.33Å
65	S	43.8	Very low	42.3	Very low	92 Å²	92	128.8 Å²	128.8	64%	0.643	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	3	-177.5	59.8	0	0	0	0	115.7	R62 E63	R62-S65 PolarHBondContact O-N 3.2Å; R62-S65 PolarHBondContact O-OG 3.36Å; E63-S65 PolarHBondContact O-N 3.42Å
66	V	44	Very low	41.7	Very low	107 Å²	107	130.8 Å²	130.8	65%	0.648	68%	0.677	S	S	*	*	S	Bend	trans	-137.9	57.3	-177.3	-163.8	0	0	0	0	112.7
67	H	38	Very low	41.6	Very low	176 Å²	176	134.4 Å²	134.4	82%	0.815	69%	0.693	S	S	*	*			trans	-141.3	118.8	155.1	-82.9	-26.9	0	0	0	109.7
68	P	39.9	Very low	41.3	Very low	113 Å²	113	137.6 Å²	137.6	73%	0.734	70%	0.703	S	S	*	*			trans	-67.6	143.1	171.3	28.1	-30.7	0	0	0	109.3	S70	P68-S70 PolarHBondContact O-N 2.95Å; P68-S70 VanDerWaalsContact O-N 3.12Å
69	P	38.1	Very low	40.8	Very low	117 Å²	117	142.9 Å²	142.9	76%	0.76	72%	0.719	S	S	*	*			trans	-72.9	110.7	-178.2	29.4	-30.8	0	0	0	109	S71	P69-S71 PolarHBondContact O-N 3.5Å
70	S	35.4	Very low	40.7	Very low	91 Å²	91	141 Å²	141	64%	0.636	72%	0.722	S	S	*	*			trans	-74.2	79.7	159.5	51.6	0	0	0	0	108.1	P68 E72	P68-S70 PolarHBondContact O-N 2.95Å; P68-S70 VanDerWaalsContact O-N 3.12Å; S70-E72 PolarHBondContact O-N 2.8Å; S70-E72 VanDerWaalsContact O-N 3.15Å
71	S	46.5	Very low	40.7	Very low	93 Å²	93	138.9 Å²	138.9	65%	0.65	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-3	-167.3	-172.9	0	0	0	0	115.5	P69	P69-S71 PolarHBondContact O-N 3.5Å
72	E	37.9	Very low	40.7	Very low	177 Å²	177	137.2 Å²	137.2	83%	0.827	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-14.8	-171.3	-70.2	-173.7	163.6	0	0	115.2	S70	S70-E72 PolarHBondContact O-N 2.8Å; S70-E72 VanDerWaalsContact O-N 3.15Å
73	R	37.2	Very low	41.2	Very low	227 Å²	227	133.2 Å²	133.2	86%	0.857	71%	0.708	S	S	*	*	S	Bend	trans	-95.9	-17.9	-177.4	-136.1	178.3	-144.9	-179.5	6	115.3
74	Y	38.3	Very low	42.2	Very low	182 Å²	182	130.2 Å²	130.2	71%	0.714	69%	0.693	S	S	*	*	S	Bend	trans	-107	0.5	-175.8	-72.2	-82.4	0	0	0	114	H76	Y74-H76 PolarHBondContact O-N 2.94Å
75	A	32.5	Very low	42.9	Very low	75 Å²	75	131.3 Å²	131.3	62%	0.62	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-9.3	-178.5	0	0	0	0	0	114.1
76	H	36.3	Very low	44.1	Very low	175 Å²	175	128.3 Å²	128.3	81%	0.81	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-3.6	-176.5	-78.8	-67.6	0	0	0	115.8	Y74	Y74-H76 PolarHBondContact O-N 2.94Å
77	T	47.5	Very low	45.7	Very low	108 Å²	108	127.7 Å²	127.7	66%	0.663	68%	0.675	S	S	*	*	S	Bend	trans	-114	-4.6	-169.6	-27	0	0	0	0	115.3
78	F	42.6	Very low	48.1	Very low	158 Å²	158	120.3 Å²	120.3	69%	0.693	64%	0.642	S	S	*	*	S	Bend	trans	-99.9	-1.9	-173.8	-92.2	-87.5	0	0	0	115.6	D80 L81	F78-D80 VanDerWaalsContact C-N 3.31Å; F78-D80 PolarHBondContact O-N 2.89Å; F78-L81 HydrophobicContact CD1-CD1 3.56Å; F78-L81 HydrophobicContact CD1-CG 4.35Å; F78-L81 HydrophobicContact CE1-CD1 3.89Å
79	R	36.3	Very low	50.5	Low	236 Å²	236	121.7 Å²	121.7	89%	0.891	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-8.4	179.7	-104.4	-175.4	178.1	-178.3	0.3	115
80	D	44	Very low	53.2	Low	135 Å²	135	117 Å²	117	72%	0.722	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	5.8	-174.3	-88.5	-23.8	0	0	0	115.6	F78 S82	F78-D80 VanDerWaalsContact C-N 3.31Å; F78-D80 PolarHBondContact O-N 2.89Å; D80-S82 PolarHBondContact O-N 2.85Å
81	L	48.7	Very low	56	Low	94 Å²	94	117 Å²	117	49%	0.492	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	-2.8	-177.3	-59.7	177.7	0	0	0	114.5	F78 F84	F78-L81 HydrophobicContact CD1-CD1 3.56Å; F78-L81 HydrophobicContact CD1-CG 4.35Å; F78-L81 HydrophobicContact CE1-CD1 3.89Å; L81-F84 HydrophobicContact CB-CE2 3.98Å; L81-F84 HydrophobicContact CD2-CE2 3.39Å; L81-F84 HydrophobicContact CD2-CZ 3.63Å; L81-F84 HydrophobicContact CG-CE2 4.26Å; L81-F84 WeakPolarHBondContact O-CD2 3.42Å
82	S	44.8	Very low	58.4	Low	99 Å²	99	113.9 Å²	113.9	69%	0.692	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-9.9	-176.8	49.4	0	0	0	0	114.8	D80	D80-S82 PolarHBondContact O-N 2.85Å
83	N	51	Low	61.2	Low	117 Å²	117	110.8 Å²	110.8	63%	0.626	56%	0.563	S	S	*	*			trans	-123.5	25.3	-170.8	-86.5	-12.6	0	0	0	116.2	S85 G86	N83-S85 PolarHBondContact O-N 2.82Å; N83-G86 PolarHBondContact O-N 3.31Å
84	F	60.8	Low	64	Low	72 Å²	72	105.7 Å²	105.7	32%	0.316	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-7.6	175.9	-72.3	-69.7	0	0	0	115.5	L81 H279 M283	L81-F84 HydrophobicContact CB-CE2 3.98Å; L81-F84 HydrophobicContact CD2-CE2 3.39Å; L81-F84 HydrophobicContact CD2-CZ 3.63Å; L81-F84 HydrophobicContact CG-CE2 4.26Å; L81-F84 WeakPolarHBondContact O-CD2 3.42Å; F84-H279 HydrophobicContact CD1-CB 3.8Å; F84-H279 AromaticContact CD1-CD2 3.86Å; F84-H279 AromaticContact CD1-CG 3.91Å; F84-H279 HydrophobicContact CE1-CB 4.28Å; F84-M283 HydrophobicContact CD1-CE 4.44Å; F84-M283 HydrophobicContact CE1-CE 3.31Å; F84-M283 HydrophobicContact CE2-CE 4.45Å; F84-M283 HydrophobicContact CZ-CE 3.32Å
85	S	57.3	Low	66.8	Low	113 Å²	113	99.8 Å²	99.8	79%	0.79	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-11.6	170.8	-171.8	0	0	0	0	113.2	N83	N83-S85 PolarHBondContact O-N 2.82Å
86	G	68.3	Low	69.9	Low	29 Å²	29	96.8 Å²	96.8	30%	0.299	50%	0.501	S	S	.	.	S	Bend	trans	-80.7	169.1	178.3	0	0	0	0	0	112.2	N83 H279	N83-G86 PolarHBondContact O-N 3.31Å; G86-H279 PolarHBondContact O-CE1 3.49Å
87	T	78.8	Confident	72.7	Confident	94 Å²	94	89.5 Å²	89.5	58%	0.577	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-80	145.6	169.8	50.6	0	0	0	0	110.4	N89 N216	T87-N89 PolarHBondContact O-N 3.02Å; T87-N216 WeakPolarHBondContact CA-OD1 3.39Å; T87-N216 WeakPolarHBondContact CB-OD1 3.3Å
88	I	87.8	Confident	74.8	Confident	21 Å²	21	89 Å²	89	11%	0.108	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-62.6	132.7	170.4	-50.9	171.7	0	0	0	108	V90 F213 N216 A278 L282	I88-V90 HydrophobicContact CB-CG2 4.38Å; I88-V90 HydrophobicContact CG2-CG2 3.82Å; I88-V90 PolarHBondContact O-N 3.09Å; I88-F213 HydrophobicContact CG2-CE1 4.37Å; I88-N216 HydrophobicContact CB-CB 4.42Å; I88-N216 HydrophobicContact CD1-CB 4.2Å; I88-N216 HydrophobicContact CG1-CB 4.4Å; I88-N216 PolarHBondContact N-OD1 3.11Å; I88-N216 PolarHBondContact O-ND2 3.44Å; I88-A278 HydrophobicContact CD1-CB 3.82Å; I88-L282 HydrophobicContact CD1-CD2 3.98Å; I88-L282 HydrophobicContact CG2-CD2 4.15Å
89	N	91	Very high	76.9	Confident	143 Å²	143	83.5 Å²	83.5	77%	0.765	45%	0.45	S	S	*	.			trans	-74.5	89.2	179.6	-173.4	16.3	0	0	0	110.8	T87	T87-N89 PolarHBondContact O-N 3.02Å
90	V	93.4	Very high	79.3	Confident	17 Å²	17	76.3 Å²	76.3	10%	0.103	43%	0.429	C	S	.	.			trans	-130	130.4	177.5	-179.4	0	0	0	0	108.7	I88 Y92 A179 F183 F213	I88-V90 HydrophobicContact CB-CG2 4.38Å; I88-V90 HydrophobicContact CG2-CG2 3.82Å; I88-V90 PolarHBondContact O-N 3.09Å; V90-Y92 HydrophobicContact CB-CD2 4.43Å; V90-Y92 HydrophobicContact CB-CE2 3.76Å; V90-Y92 HydrophobicContact CG1-CD1 4.28Å; V90-Y92 HydrophobicContact CG1-CD2 4.26Å; V90-Y92 HydrophobicContact CG1-CE1 3.96Å; V90-Y92 HydrophobicContact CG1-CE2 3.91Å; V90-Y92 HydrophobicContact CG1-CG 4.44Å; V90-Y92 WeakPolarHBondContact O-CD2 3.47Å; V90-Y92 WeakPolarHBondContact O-CE2 3.47Å; V90-A179 HydrophobicContact CG1-CB 4.3Å; V90-F183 HydrophobicContact CB-CD1 4.42Å; V90-F183 HydrophobicContact CG1-CB 4.21Å; V90-F183 HydrophobicContact CG1-CD1 4.34Å; V90-F183 HydrophobicContact CG1-CD2 4.24Å; V90-F183 HydrophobicContact CG1-CG 4.01Å; V90-F183 HydrophobicContact CG2-CB 4.45Å; V90-F183 HydrophobicContact CG2-CD1 4.42Å; V90-F213 HydrophobicContact CG2-CD1 3.86Å; V90-F213 HydrophobicContact CG2-CE1 3.65Å; V90-F213 HydrophobicContact CG2-CG 4.44Å; V90-F213 HydrophobicContact CG2-CZ 4.03Å
91	T	94.7	Very high	81.2	Confident	93 Å²	93	78.5 Å²	78.5	57%	0.571	44%	0.44	S	S	*	.			trans	-94.2	109.4	172.1	-58.5	0	0	0	0	109.4	P180	T91-P180 VanDerWaalsContact O-CD 3.23Å; T91-P180 WeakPolarHBondContact O-CD 3.26Å
92	Y	96.3	Very high	83.1	Confident	27 Å²	27	83.8 Å²	83.8	11%	0.106	45%	0.454	C	S	.	.			trans	-85	141.6	-178.4	-61.1	-91.7	0	0	0	111.8	V90 I177 A179 F213 N216 F217	V90-Y92 HydrophobicContact CB-CD2 4.43Å; V90-Y92 HydrophobicContact CB-CE2 3.76Å; V90-Y92 HydrophobicContact CG1-CD1 4.28Å; V90-Y92 HydrophobicContact CG1-CD2 4.26Å; V90-Y92 HydrophobicContact CG1-CE1 3.96Å; V90-Y92 HydrophobicContact CG1-CE2 3.91Å; V90-Y92 HydrophobicContact CG1-CG 4.44Å; V90-Y92 WeakPolarHBondContact O-CD2 3.47Å; V90-Y92 WeakPolarHBondContact O-CE2 3.47Å; Y92-I177 HydrophobicContact CD1-CD1 4.03Å; Y92-I177 HydrophobicContact CE1-CD1 4.34Å; Y92-A179 HydrophobicContact CD1-CB 4.33Å; Y92-A179 HydrophobicContact CE1-CB 4.29Å; Y92-F213 HydrophobicContact CE1-CB 4.2Å; Y92-F213 WeakPolarHBondContact CE1-O 3.14Å; Y92-F213 PolarHBondContact OH-O 3.25Å; Y92-N216 WeakPolarHBondContact OH-CB 3.2Å; Y92-N216 PolarHBondContact OH-ND2 3.15Å; Y92-F217 HydrophobicContact CD1-CB 4.45Å; Y92-F217 HydrophobicContact CD1-CD2 4.11Å; Y92-F217 AromaticContact CD2-CD2 3.79Å; Y92-F217 HydrophobicContact CD2-CD2 3.79Å; Y92-F217 HydrophobicContact CE1-CB 3.97Å; Y92-F217 HydrophobicContact CE1-CD2 4.42Å; Y92-F217 HydrophobicContact CE2-CB 4.18Å; Y92-F217 HydrophobicContact CE2-CD2 4.16Å; Y92-F217 AromaticContact CG-CD2 3.76Å; Y92-F217 HydrophobicContact CG-CD2 3.76Å; Y92-F217 HydrophobicContact CG-CE2 4.42Å
93	R	96.5	Very high	85.4	Confident	111 Å²	111	83.3 Å²	83.3	42%	0.419	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.8	166.1	-61.8	-173.7	-173.4	170.7	4.5	109	L95 I177 Q178 P180	R93-L95 HydrophobicContact CB-CD2 4.11Å; R93-L95 PolarHBondContact O-N 3.41Å; R93-I177 CarbonylContact O-C 3.45Å; R93-I177 VanDerWaalsContact O-CA 3.28Å; R93-I177 WeakPolarHBondContact O-CA 3.39Å; R93-Q178 HydrophobicContact CB-CB 4.5Å; R93-Q178 PolarHBondContact N-O 3.27Å; R93-Q178 PolarHBondContact O-N 3.18Å; R93-P180 HydrophobicContact CG-CG 4.2Å
94	Y	96.9	Very high	87.5	Confident	120 Å²	120	80 Å²	80	47%	0.471	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	106.5	171.4	-68	-95.6	0	0	0	108.4	P99 I177 F217	Y94-P99 VanDerWaalsContact CE1-CD 3.42Å; Y94-P99 HydrophobicContact CE1-CG 3.62Å; Y94-I177 HydrophobicContact CD1-CG2 4.4Å; Y94-F217 HydrophobicContact CD1-CZ 4.47Å; Y94-F217 AromaticContact CE1-CE2 3.64Å; Y94-F217 HydrophobicContact CE1-CE2 3.64Å; Y94-F217 AromaticContact CE1-CZ 3.62Å; Y94-F217 HydrophobicContact CE1-CZ 3.62Å; Y94-F217 AromaticContact CZ-CE2 3.66Å; Y94-F217 WeakPolarHBondContact OH-CE2 3.33Å
95	L	97.4	Very high	89.3	Confident	59 Å²	59	78.5 Å²	78.5	31%	0.309	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-32.2	-177.9	-56.4	-176.8	0	0	0	111.8	R93 L146 V158 V176 Q178	R93-L95 HydrophobicContact CB-CD2 4.11Å; R93-L95 PolarHBondContact O-N 3.41Å; L95-L146 HydrophobicContact CD1-CD1 4.08Å; L95-V158 HydrophobicContact CB-CG1 4.36Å; L95-V158 HydrophobicContact CB-CG2 3.66Å; L95-V158 HydrophobicContact CD1-CG2 3.73Å; L95-V158 HydrophobicContact CG-CG2 4.31Å; L95-V176 HydrophobicContact CB-CB 4.28Å; L95-V176 HydrophobicContact CB-CG1 4.11Å; L95-V176 HydrophobicContact CD1-CG1 4.37Å; L95-V176 PolarHBondContact N-O 3.25Å; L95-Q178 HydrophobicContact CD1-CB 3.7Å; L95-Q178 HydrophobicContact CG-CB 4.19Å
96	A	97.3	Very high	91.3	Very high	12 Å²	12	73.1 Å²	73.1	10%	0.099	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	141.4	170.8	0	0	0	0	0	111.8	V158 I169 L175 V176	A96-V158 HydrophobicContact CB-CG1 4.49Å; A96-I169 HydrophobicContact CB-CD1 4.11Å; A96-I169 HydrophobicContact CB-CG2 4.4Å; A96-L175 WeakPolarHBondContact O-CA 3.48Å; A96-V176 HydrophobicContact CB-CB 3.98Å; A96-V176 HydrophobicContact CB-CG2 3.94Å; A96-V176 PolarHBondContact N-O 2.71Å; A96-V176 PolarHBondContact O-N 3.13Å
97	G	95.1	Very high	92.7	Very high	21 Å²	21	71.8 Å²	71.8	22%	0.216	36%	0.361	C	S	.	.			trans	74.9	167.8	179.9	0	0	0	0	0	113.5
98	T	90.9	Very high	93.7	Very high	98 Å²	98	67.3 Å²	67.3	60%	0.601	33%	0.333	S	S	*	.			trans	-135.5	145	174.5	49.1	0	0	0	0	110.4	L175	T98-L175 VanDerWaalsContact C-CD2 3.4Å; T98-L175 WeakPolarHBondContact O-CD2 3.47Å
99	P	87.4	Confident	94.2	Very high	42 Å²	42	66.3 Å²	66.3	27%	0.273	33%	0.328	S	S	.	.			trans	-60.3	140.3	176.6	-22.2	33.4	0	0	0	111.2	Y94 L175 F217 L221	Y94-P99 VanDerWaalsContact CE1-CD 3.42Å; Y94-P99 HydrophobicContact CE1-CG 3.62Å; P99-L175 HydrophobicContact CB-CD1 4.41Å; P99-L175 HydrophobicContact CG-CD1 4.14Å; P99-F217 HydrophobicContact CG-CZ 4.23Å; P99-L221 HydrophobicContact CB-CD2 3.87Å; P99-L221 HydrophobicContact CG-CD2 4.44Å
100	L	87.3	Confident	94.5	Very high	85 Å²	85	59.5 Å²	59.5	45%	0.445	29%	0.292	S	S	.	.			trans	-83.9	146.1	172.8	-60.6	178.1	0	0	0	110.2	R102	L100-R102 PolarHBondContact O-N 2.78Å
101	N	82.5	Confident	94.7	Very high	182 Å²	182	59.2 Å²	59.2	97%	0.973	29%	0.291	S	S	*	.	S	Bend	trans	-67.8	-2.3	179.5	-73.7	-14.8	0	0	0	114.6
102	R	88.8	Confident	94.8	Very high	204 Å²	204	54.9 Å²	54.9	77%	0.77	27%	0.265	S	S	*	.	S	Bend	trans	-114	129.5	-179.4	-178.1	178.4	174.8	179.2	0.6	110.1	L100 K104	L100-R102 PolarHBondContact O-N 2.78Å; R102-K104 PolarHBondContact O-N 2.86Å
103	K	93.7	Very high	94.7	Very high	90 Å²	90	54.7 Å²	54.7	39%	0.391	27%	0.266	S	S	.	.			trans	-59.3	133.8	172	-69.5	-165.6	177.7	-166.2	0	111.5	N220 L221	K103-N220 WeakPolarHBondContact CE-O 3.07Å; K103-N220 WeakPolarHBondContact CE-OD1 3.5Å; K103-N220 PolarHBondContact NZ-OD1 2.77Å; K103-L221 WeakPolarHBondContact CA-O 3.41Å
104	K	96.1	Very high	94.6	Very high	47 Å²	47	54.1 Å²	54.1	20%	0.204	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	173.9	170.7	-65.1	-62	-169.3	173	0	110.4	R102 K138 E139 V141 L221 S222 H223	R102-K104 PolarHBondContact O-N 2.86Å; K104-K138 PolarHBondContact NZ-O 3.3Å; K104-E139 WeakPolarHBondContact CB-O 3.4Å; K104-V141 HydrophobicContact CB-CG1 4.3Å; K104-V141 HydrophobicContact CG-CB 4.38Å; K104-V141 HydrophobicContact CG-CG1 4.29Å; K104-L221 PolarHBondContact N-O 2.77Å; K104-S222 WeakPolarHBondContact CB-OG 3.45Å; K104-S222 CarbonylContact O-C 3.52Å; K104-S222 WeakPolarHBondContact O-CA 3.39Å; K104-S222 WeakPolarHBondContact O-CB 3.47Å; K104-H223 PolarHBondContact O-CD2 3.25Å; K104-H223 VanDerWaalsContact O-CD2 3.27Å; K104-H223 PolarHBondContact O-N 2.97Å
105	F	97.9	Very high	94.2	Very high	41 Å²	41	49.7 Å²	49.7	18%	0.18	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-50	176	-175.4	-89.4	0	0	0	110.2	E139 H223 F224 L239 L242 K243 I246	F105-E139 HydrophobicContact CB-CB 3.93Å; F105-E139 PolarHBondContact N-O 3.05Å; F105-H223 PolarHBondContact O-N 3.35Å; F105-F224 HydrophobicContact CD1-CD2 4.27Å; F105-F224 HydrophobicContact CD2-CD2 4.5Å; F105-F224 AromaticContact CE1-CD2 3.78Å; F105-F224 HydrophobicContact CE1-CD2 3.78Å; F105-F224 HydrophobicContact CE1-CE2 4.22Å; F105-F224 HydrophobicContact CE2-CD2 4.04Å; F105-F224 AromaticContact CE2-CE2 3.8Å; F105-F224 HydrophobicContact CE2-CE2 3.8Å; F105-F224 AromaticContact CZ-CD2 3.64Å; F105-F224 HydrophobicContact CZ-CD2 3.64Å; F105-F224 AromaticContact CZ-CE2 3.59Å; F105-F224 HydrophobicContact CZ-CE2 3.59Å; F105-F224 PolarHBondContact O-N 3.36Å; F105-L239 HydrophobicContact CD1-CD1 3.59Å; F105-L239 HydrophobicContact CE1-CD1 3.78Å; F105-L242 HydrophobicContact CE1-CD2 4.02Å; F105-K243 HydrophobicContact CD1-CG 4.23Å; F105-K243 HydrophobicContact CE1-CD 4.26Å; F105-K243 HydrophobicContact CE1-CG 3.5Å; F105-K243 VanDerWaalsContact CE1-CG 3.5Å; F105-K243 HydrophobicContact CE2-CG 4.2Å; F105-K243 HydrophobicContact CZ-CD 4.29Å; F105-K243 HydrophobicContact CZ-CG 3.49Å; F105-K243 VanDerWaalsContact CZ-CG 3.49Å; F105-I246 HydrophobicContact CE1-CD1 4.05Å; F105-I246 HydrophobicContact CZ-CD1 3.94Å
106	L	98.6	Very high	93.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	130.6	-174.5	-176	68.6	0	0	0	112.1	I108 E139 I140 V141 S222 F224 M226 F238 L239 L242 L268	L106-I108 HydrophobicContact CD2-CD1 4.29Å; L106-I108 HydrophobicContact CD2-CG1 3.93Å; L106-I108 HydrophobicContact CG-CG1 4.18Å; L106-E139 PolarHBondContact N-O 2.82Å; L106-E139 VanDerWaalsContact N-O 3.12Å; L106-I140 HydrophobicContact CB-CG2 4.45Å; L106-I140 CarbonylContact O-C 3.56Å; L106-I140 WeakPolarHBondContact O-CA 3.46Å; L106-V141 PolarHBondContact O-N 2.88Å; L106-S222 PolarHBondContact O-OG 3.06Å; L106-F224 WeakPolarHBondContact CA-O 3.26Å; L106-F224 HydrophobicContact CD1-CB 3.82Å; L106-M226 HydrophobicContact CD1-CB 4.03Å; L106-M226 HydrophobicContact CD2-CB 4.41Å; L106-M226 HydrophobicContact CG-CB 4.49Å; L106-F238 HydrophobicContact CD2-CE2 4.29Å; L106-L239 HydrophobicContact CB-CD1 4.13Å; L106-L239 HydrophobicContact CD2-CD1 3.97Å; L106-L242 HydrophobicContact CD1-CD2 4.45Å; L106-L242 HydrophobicContact CD2-CD2 4.42Å; L106-L268 HydrophobicContact CD1-CD1 3.92Å
107	T	98.7	Very high	92.6	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.2	161.5	-62.1	0	0	0	0	109.3	V141 V143 C218 L221 S222 F224 Y225 M226	T107-V141 CarbonylContact C-O 3.58Å; T107-V141 VanDerWaalsContact CA-O 3.27Å; T107-V141 WeakPolarHBondContact CA-O 3.39Å; T107-V141 HydrophobicContact CG2-CG1 4.17Å; T107-V141 WeakPolarHBondContact OG1-CG1 3.41Å; T107-V143 HydrophobicContact CG2-CG2 3.81Å; T107-C218 HydrophobicContact CG2-CB 3.99Å; T107-L221 HydrophobicContact CG2-CD1 4.35Å; T107-L221 WeakPolarHBondContact OG1-CB 3.31Å; T107-S222 PolarHBondContact N-OG 3.27Å; T107-S222 VanDerWaalsContact N-OG 3.11Å; T107-S222 WeakPolarHBondContact OG1-CB 3.35Å; T107-S222 PolarHBondContact OG1-OG 3.18Å; T107-F224 PolarHBondContact N-O 2.88Å; T107-Y225 HydrophobicContact CG2-CD2 3.96Å; T107-Y225 HydrophobicContact CG2-CE2 4.31Å; T107-Y225 CarbonylContact O-C 3.55Å; T107-Y225 WeakPolarHBondContact O-CA 3.2Å; T107-M226 PolarHBondContact O-N 2.91Å
108	I	98.8	Very high	91.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115	171.5	-57.9	171.3	0	0	0	107.7	L106 L110 I128 V141 V142 V143 M226 L228 F238	L106-I108 HydrophobicContact CD2-CD1 4.29Å; L106-I108 HydrophobicContact CD2-CG1 3.93Å; L106-I108 HydrophobicContact CG-CG1 4.18Å; I108-L110 HydrophobicContact CG2-CD2 4.36Å; I108-I128 HydrophobicContact CD1-CG2 3.72Å; I108-I128 HydrophobicContact CG2-CD1 4.02Å; I108-V141 PolarHBondContact N-O 3.26Å; I108-V142 HydrophobicContact CB-CG2 4.4Å; I108-V142 HydrophobicContact CD1-CG2 4.48Å; I108-V142 CarbonylContact O-C 3.55Å; I108-V142 WeakPolarHBondContact O-CA 3.41Å; I108-V143 PolarHBondContact O-N 3.3Å; I108-M226 HydrophobicContact CG1-CB 4.3Å; I108-L228 HydrophobicContact CG2-CB 4.49Å; I108-L228 HydrophobicContact CG2-CD1 3.55Å; I108-L228 HydrophobicContact CG2-CG 4.02Å; I108-F238 HydrophobicContact CD1-CE2 3.76Å; I108-F238 HydrophobicContact CD1-CZ 3.62Å
109	G	98.4	Very high	91.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.9	179.3	0	0	0	0	0	111.9	M226 L228	G109-M226 PolarHBondContact N-O 2.81Å; G109-L228 PolarHBondContact O-N 2.83Å; G109-L228 VanDerWaalsContact O-N 3.12Å
110	L	98.4	Very high	91.4	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.6	173.1	-52.7	-178.8	0	0	0	109.2	I108 L121 T124 I125 I128 V142 V143 V144 H145 L228 E229	I108-L110 HydrophobicContact CG2-CD2 4.36Å; L110-L121 HydrophobicContact CD1-CD1 4.08Å; L110-T124 HydrophobicContact CD1-CG2 4.06Å; L110-T124 HydrophobicContact CD2-CG2 4.18Å; L110-I125 HydrophobicContact CD1-CG1 3.98Å; L110-I128 HydrophobicContact CD1-CD1 4Å; L110-I128 HydrophobicContact CD2-CD1 4.35Å; L110-V142 HydrophobicContact CD1-CG1 4.13Å; L110-V142 HydrophobicContact CG-CG1 4.44Å; L110-V143 PolarHBondContact N-O 3.06Å; L110-V144 HydrophobicContact CB-CG2 4.45Å; L110-V144 HydrophobicContact CD1-CG2 4.2Å; L110-V144 WeakPolarHBondContact O-CA 3.13Å; L110-H145 PolarHBondContact O-N 3.13Å; L110-L228 HydrophobicContact CD2-CB 3.54Å; L110-L228 HydrophobicContact CD2-CD1 4.43Å; L110-E229 WeakPolarHBondContact CD2-O 3.5Å
111	S	96.6	Very high	91.9	Very high	12 Å²	12	55.9 Å²	55.9	8%	0.084	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.8	167.9	-169.6	0	0	0	0	109	H145	S111-H145 WeakPolarHBondContact CA-O 3.38Å
112	S	96.5	Very high	92.6	Very high	2 Å²	2	48 Å²	48	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.8	-177.7	-172.1	0	0	0	0	111.5	H145 A147 D230	S112-H145 PolarHBondContact N-O 2.79Å; S112-A147 PolarHBondContact O-N 2.94Å; S112-D230 WeakPolarHBondContact CB-OD2 3.32Å; S112-D230 PolarHBondContact OG-OD2 3Å
113	V	95.4	Very high	92.9	Very high	23 Å²	23	43 Å²	43	14%	0.139	20%	0.201	C	C	.	.			trans	-129.4	159.4	176.4	-63.9	0	0	0	0	109.7	R115 A147	V113-R115 PolarHBondContact O-N 3Å; V113-R115 VanDerWaalsContact O-N 3.1Å; V113-A147 HydrophobicContact CG1-CB 4.07Å
114	K	93.6	Very high	93.2	Very high	99 Å²	99	38.8 Å²	38.8	43%	0.43	18%	0.183	S	C	.	.			trans	-65.2	114.1	-179.2	-173	177.1	-172.3	177.9	0	110.4	D148 D150 W153	K114-D148 HydrophobicContact CB-CB 4.43Å; K114-D148 WeakPolarHBondContact CB-OD2 3.33Å; K114-D148 PolarHBondContact N-OD2 2.92Å; K114-D150 IonicContact NZ-OD2 2.7Å; K114-D150 PolarHBondContact NZ-OD2 2.85Å; K114-W153 HydrophobicContact CB-CD2 3.82Å; K114-W153 HydrophobicContact CB-CE3 4.28Å; K114-W153 HydrophobicContact CB-CG 4.07Å; K114-W153 HydrophobicContact CB-CZ2 4.31Å; K114-W153 HydrophobicContact CD-CB 4.03Å; K114-W153 HydrophobicContact CD-CD2 4.44Å; K114-W153 HydrophobicContact CD-CG 3.81Å; K114-W153 HydrophobicContact CG-CD2 4.13Å; K114-W153 HydrophobicContact CG-CG 3.9Å
115	R	88.9	Confident	93.3	Very high	27 Å²	27	36.5 Å²	36.5	10%	0.102	17%	0.173	C	C	.	.			trans	-81.7	148.4	173.4	-58	-167.6	178.4	-149.8	-0.3	110.6	V113 R117 G118 Y120 D230 D231 Y320	V113-R115 PolarHBondContact O-N 3Å; V113-R115 VanDerWaalsContact O-N 3.1Å; R115-R117 VanDerWaalsContact C-N 3.31Å; R115-G118 WeakPolarHBondContact CB-O 3.14Å; R115-Y120 VanDerWaalsContact NH1-CD2 3.29Å; R115-Y120 VanDerWaalsContact NH1-CE2 3.31Å; R115-D230 IonicContact CZ-OD1 2.73Å; R115-D230 IonicContact NE-OD1 3.97Å; R115-D230 IonicContact NE-OD2 2.81Å; R115-D230 IonicContact NH2-OD1 3.87Å; R115-D230 PolarHBondContact NH2-OD1 2.77Å; R115-D230 IonicContact NH2-OD2 2.79Å; R115-D231 IonicContact CZ-OD2 3.99Å; R115-D231 VanDerWaalsContact CZ-OD2 3.25Å; R115-D231 IonicContact NH1-OD2 3.96Å; R115-D231 PolarHBondContact NH1-OD2 3.07Å; R115-D231 IonicContact NH2-OD1 3.64Å; R115-D231 IonicContact NH2-OD2 2.65Å; R115-D231 PolarHBondContact NH2-OD2 2.76Å; R115-Y320 PolarHBondContact NH1-O 2.89Å
116	K	84.1	Confident	93.3	Very high	162 Å²	162	39.8 Å²	39.8	70%	0.704	19%	0.187	S	C	*	.	S	Bend	trans	-69.5	-31	169.1	-67.1	-171	180	-176	0	112.3
117	R	76.1	Confident	93.2	Very high	154 Å²	154	40.4 Å²	40.4	58%	0.581	19%	0.191	S	C	*	.	S	Bend	trans	-147.7	142.2	-176.8	-65	-175.9	179.1	-177.6	-0.8	110.2	R115 Y320	R115-R117 VanDerWaalsContact C-N 3.31Å; R117-Y320 HydrophobicContact CB-CD2 3.92Å; R117-Y320 HydrophobicContact CB-CE2 4.5Å; R117-Y320 HydrophobicContact CB-CG 3.94Å
118	G	70.1	Confident	93.2	Very high	36 Å²	36	40.4 Å²	40.4	37%	0.371	19%	0.191	S	C	.	.			trans	71.3	140.3	-177.3	0	0	0	0	0	112.4	R115	R115-G118 WeakPolarHBondContact CB-O 3.14Å
119	N	85.1	Confident	93.2	Very high	72 Å²	72	40.7 Å²	40.7	39%	0.385	19%	0.193	S	C	.	.			trans	-134.5	111	171.3	-177.2	-3.4	0	0	0	107.5	L121	N119-L121 PolarHBondContact OD1-N 2.79Å
120	Y	93.8	Very high	93.1	Very high	23 Å²	23	45.4 Å²	45.4	9%	0.09	22%	0.218	C	C	.	.			trans	-110.4	-12.2	-170.3	-51	-77.3	0	0	0	112.5	R115 L122 E123 T124 D230 D231 M317 Y319 Y320	R115-Y120 VanDerWaalsContact NH1-CD2 3.29Å; R115-Y120 VanDerWaalsContact NH1-CE2 3.31Å; Y120-L122 VanDerWaalsContact C-N 3.31Å; Y120-L122 PolarHBondContact O-N 2.86Å; Y120-E123 WeakPolarHBondContact O-CA 3.27Å; Y120-E123 WeakPolarHBondContact O-CB 3.32Å; Y120-E123 PolarHBondContact O-N 3.22Å; Y120-T124 PolarHBondContact O-N 2.75Å; Y120-T124 PolarHBondContact O-OG1 3.13Å; Y120-D230 CarbonylContact C-O 3.59Å; Y120-D230 WeakPolarHBondContact CB-O 3.3Å; Y120-D231 HydrophobicContact CD2-CB 3.84Å; Y120-D231 HydrophobicContact CG-CB 3.81Å; Y120-M317 HydrophobicContact CD1-CE 4.3Å; Y120-Y319 PolarHBondContact OH-N 3.09Å; Y120-Y319 VanDerWaalsContact OH-N 3.14Å; Y120-Y320 PolarHBondContact OH-N 2.99Å
121	L	97	Very high	92.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55.1	-45.9	-173.8	174.8	62.4	0	0	0	112.1	L110 N119 E123 T124 I125 V144 L146 V157 I161 D230	L110-L121 HydrophobicContact CD1-CD1 4.08Å; N119-L121 PolarHBondContact OD1-N 2.79Å; L121-E123 VanDerWaalsContact C-N 3.28Å; L121-E123 PolarHBondContact O-N 3.32Å; L121-T124 PolarHBondContact O-N 2.82Å; L121-I125 HydrophobicContact CD1-CD1 3.88Å; L121-I125 HydrophobicContact CD1-CG1 4.13Å; L121-I125 HydrophobicContact CG-CD1 3.89Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.48Å; L121-I125 PolarHBondContact O-N 3.26Å; L121-V144 HydrophobicContact CD1-CG1 4.04Å; L121-V144 HydrophobicContact CD1-CG2 4.49Å; L121-V144 HydrophobicContact CD2-CG1 4.01Å; L121-L146 HydrophobicContact CD2-CD2 3.91Å; L121-V157 HydrophobicContact CD2-CG1 3.81Å; L121-I161 HydrophobicContact CD2-CD1 4.15Å; L121-D230 VanDerWaalsContact CA-O 3.24Å; L121-D230 WeakPolarHBondContact CA-O 3.49Å; L121-D230 HydrophobicContact CB-CB 4.14Å; L121-D230 HydrophobicContact CD1-CB 3.82Å; L121-D230 PolarHBondContact N-O 3.1Å; L121-D230 VanDerWaalsContact N-O 3.12Å
122	L	97.3	Very high	92.9	Very high	15 Å²	15	47.1 Å²	47.1	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-33.3	179.8	-58.3	178.6	0	0	0	112	Y120 K126 E160 I161 K164 F165	Y120-L122 VanDerWaalsContact C-N 3.31Å; Y120-L122 PolarHBondContact O-N 2.86Å; L122-K126 VanDerWaalsContact O-CB 3.25Å; L122-K126 WeakPolarHBondContact O-CB 3.4Å; L122-K126 PolarHBondContact O-N 3.06Å; L122-E160 HydrophobicContact CD1-CB 3.99Å; L122-E160 HydrophobicContact CD2-CB 4.33Å; L122-I161 HydrophobicContact CD2-CG1 3.63Å; L122-K164 HydrophobicContact CD1-CD 4.16Å; L122-F165 HydrophobicContact CD2-CE2 4.05Å; L122-F165 WeakPolarHBondContact O-CZ 3.2Å
123	E	96.9	Very high	92.6	Very high	101 Å²	101	48.4 Å²	48.4	47%	0.472	24%	0.235	S	C	.	.	H	α-helix	trans	-72.8	-39.6	177.4	-61.5	177.7	155.2	0	0	110.7	Y120 L121 K126 S127 M317	Y120-E123 WeakPolarHBondContact O-CA 3.27Å; Y120-E123 WeakPolarHBondContact O-CB 3.32Å; Y120-E123 PolarHBondContact O-N 3.22Å; L121-E123 VanDerWaalsContact C-N 3.28Å; L121-E123 PolarHBondContact O-N 3.32Å; E123-K126 PolarHBondContact O-N 2.98Å; E123-S127 WeakPolarHBondContact O-CB 3.14Å; E123-S127 PolarHBondContact O-N 2.95Å; E123-M317 HydrophobicContact CB-CE 3.56Å; E123-M317 HydrophobicContact CB-SD 4.49Å; E123-M317 HydrophobicContact CG-CE 4.29Å; E123-M317 WeakPolarHBondContact OE2-CE 3.37Å
124	T	98.2	Very high	92.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-49.7	173.1	-59.2	0	0	0	0	111.7	L110 Y120 L121 K126 S127 I128 D230 D231 V232	L110-T124 HydrophobicContact CD1-CG2 4.06Å; L110-T124 HydrophobicContact CD2-CG2 4.18Å; Y120-T124 PolarHBondContact O-N 2.75Å; Y120-T124 PolarHBondContact O-OG1 3.13Å; L121-T124 PolarHBondContact O-N 2.82Å; T124-K126 VanDerWaalsContact C-N 3.3Å; T124-K126 PolarHBondContact O-N 3.25Å; T124-S127 PolarHBondContact O-N 2.63Å; T124-S127 VanDerWaalsContact O-N 3.14Å; T124-I128 HydrophobicContact CG2-CD1 4.18Å; T124-I128 WeakPolarHBondContact O-CG1 3.41Å; T124-I128 PolarHBondContact O-N 3.12Å; T124-D230 PolarHBondContact OG1-O 3.08Å; T124-D231 WeakPolarHBondContact OG1-CA 3.38Å; T124-D231 PolarHBondContact OG1-N 2.69Å; T124-V232 WeakPolarHBondContact CA-O 3.41Å; T124-V232 HydrophobicContact CG2-CB 4.19Å; T124-V232 WeakPolarHBondContact CG2-O 3.41Å; T124-V232 PolarHBondContact OG1-N 3.41Å; T124-V232 PolarHBondContact OG1-O 2.91Å
125	I	98.6	Very high	92.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-44.8	176.7	-65.9	166.9	0	0	0	110.4	L110 L121 S127 I128 F129 V144 I161 F165 L174	L110-I125 HydrophobicContact CD1-CG1 3.98Å; L121-I125 HydrophobicContact CD1-CD1 3.88Å; L121-I125 HydrophobicContact CD1-CG1 4.13Å; L121-I125 HydrophobicContact CG-CD1 3.89Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.48Å; L121-I125 PolarHBondContact O-N 3.26Å; I125-S127 PolarHBondContact O-N 3.23Å; I125-I128 PolarHBondContact O-N 3.17Å; I125-F129 HydrophobicContact CG2-CD2 3.74Å; I125-F129 HydrophobicContact CG2-CE2 3.47Å; I125-F129 VanDerWaalsContact CG2-CE2 3.47Å; I125-F129 VanDerWaalsContact O-CD2 3.26Å; I125-F129 WeakPolarHBondContact O-CD2 3.47Å; I125-F129 PolarHBondContact O-N 2.97Å; I125-V144 HydrophobicContact CD1-CG2 3.9Å; I125-V144 HydrophobicContact CG1-CG2 4.3Å; I125-I161 HydrophobicContact CD1-CD1 4.07Å; I125-I161 HydrophobicContact CD1-CG1 4.12Å; I125-F165 HydrophobicContact CB-CE2 3.97Å; I125-F165 HydrophobicContact CB-CZ 3.96Å; I125-F165 HydrophobicContact CD1-CE2 4.45Å; I125-F165 HydrophobicContact CG2-CD1 3.97Å; I125-F165 HydrophobicContact CG2-CD2 3.78Å; I125-F165 HydrophobicContact CG2-CE1 3.84Å; I125-F165 HydrophobicContact CG2-CE2 3.63Å; I125-F165 HydrophobicContact CG2-CG 3.94Å; I125-F165 HydrophobicContact CG2-CZ 3.67Å; I125-L174 HydrophobicContact CG2-CD2 4.23Å
126	K	97.8	Very high	92.8	Very high	110 Å²	110	53.6 Å²	53.6	48%	0.478	26%	0.255	S	S	.	.	H	α-helix	trans	-59.4	-46.6	175.4	-178.4	179.4	-177.4	-63.9	0	111.1	L122 E123 T124 I128 F129 D130 F165	L122-K126 VanDerWaalsContact O-CB 3.25Å; L122-K126 WeakPolarHBondContact O-CB 3.4Å; L122-K126 PolarHBondContact O-N 3.06Å; E123-K126 PolarHBondContact O-N 2.98Å; T124-K126 VanDerWaalsContact C-N 3.3Å; T124-K126 PolarHBondContact O-N 3.25Å; K126-I128 VanDerWaalsContact C-N 3.33Å; K126-I128 PolarHBondContact O-N 2.97Å; K126-F129 PolarHBondContact O-N 2.83Å; K126-D130 VanDerWaalsContact CE-OD2 3.3Å; K126-D130 WeakPolarHBondContact CE-OD2 3.4Å; K126-D130 VanDerWaalsContact CG-OD2 3.26Å; K126-D130 WeakPolarHBondContact CG-OD2 3.49Å; K126-D130 IonicContact NZ-OD2 3.9Å; K126-D130 PolarHBondContact NZ-OD2 3.44Å; K126-D130 VanDerWaalsContact O-CB 3.32Å; K126-D130 WeakPolarHBondContact O-CB 3.45Å; K126-D130 PolarHBondContact O-N 3.23Å; K126-F165 HydrophobicContact CB-CE1 4.13Å; K126-F165 HydrophobicContact CB-CZ 4.04Å
127	S	97.8	Very high	93.3	Very high	13 Å²	13	46.8 Å²	46.8	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-41	179.8	-170.5	0	0	0	0	112.1	E123 T124 I125 F129 Q131 C234	E123-S127 WeakPolarHBondContact O-CB 3.14Å; E123-S127 PolarHBondContact O-N 2.95Å; T124-S127 PolarHBondContact O-N 2.63Å; T124-S127 VanDerWaalsContact O-N 3.14Å; I125-S127 PolarHBondContact O-N 3.23Å; S127-F129 VanDerWaalsContact C-N 3.34Å; S127-F129 PolarHBondContact O-N 3.33Å; S127-Q131 WeakPolarHBondContact O-CB 3.3Å; S127-Q131 WeakPolarHBondContact O-CG 3.49Å; S127-Q131 PolarHBondContact O-N 3.19Å; S127-Q131 VanDerWaalsContact O-N 3.09Å; S127-C234 PolarHBondContact OG-N 2.82Å
128	I	98.3	Very high	94.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.3	-47.6	177.5	-69.3	162.2	0	0	0	110.3	I108 L110 T124 I125 K126 S132 I140 V142 L228 C234 F238	I108-I128 HydrophobicContact CD1-CG2 3.72Å; I108-I128 HydrophobicContact CG2-CD1 4.02Å; L110-I128 HydrophobicContact CD1-CD1 4Å; L110-I128 HydrophobicContact CD2-CD1 4.35Å; T124-I128 HydrophobicContact CG2-CD1 4.18Å; T124-I128 WeakPolarHBondContact O-CG1 3.41Å; T124-I128 PolarHBondContact O-N 3.12Å; I125-I128 PolarHBondContact O-N 3.17Å; K126-I128 VanDerWaalsContact C-N 3.33Å; K126-I128 PolarHBondContact O-N 2.97Å; I128-S132 WeakPolarHBondContact O-CB 3.4Å; I128-S132 PolarHBondContact O-N 3.35Å; I128-S132 PolarHBondContact O-OG 2.81Å; I128-I140 HydrophobicContact CG2-CD1 4.21Å; I128-V142 HydrophobicContact CD1-CG1 4.35Å; I128-V142 HydrophobicContact CG2-CG2 3.74Å; I128-L228 HydrophobicContact CD1-CD1 4.36Å; I128-C234 VanDerWaalsContact CG1-SG 3.56Å; I128-F238 HydrophobicContact CG2-CE1 4.48Å; I128-F238 HydrophobicContact CG2-CZ 4.2Å
129	F	98.1	Very high	95.5	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-76.9	-41.8	-175.4	-67.8	-47.7	0	0	0	113.6	I125 K126 S127 Q131 S132 L137 I140 V142 F165 H168 R173 L174	I125-F129 HydrophobicContact CG2-CD2 3.74Å; I125-F129 HydrophobicContact CG2-CE2 3.47Å; I125-F129 VanDerWaalsContact CG2-CE2 3.47Å; I125-F129 VanDerWaalsContact O-CD2 3.26Å; I125-F129 WeakPolarHBondContact O-CD2 3.47Å; I125-F129 PolarHBondContact O-N 2.97Å; K126-F129 PolarHBondContact O-N 2.83Å; S127-F129 VanDerWaalsContact C-N 3.34Å; S127-F129 PolarHBondContact O-N 3.33Å; F129-Q131 VanDerWaalsContact C-N 3.31Å; F129-Q131 PolarHBondContact O-N 3.48Å; F129-S132 PolarHBondContact O-N 2.91Å; F129-L137 HydrophobicContact CD1-CD2 3.67Å; F129-L137 HydrophobicContact CE1-CD2 4.45Å; F129-I140 HydrophobicContact CD1-CD1 4.26Å; F129-I140 HydrophobicContact CE1-CD1 4.25Å; F129-V142 HydrophobicContact CE1-CG2 3.73Å; F129-V142 HydrophobicContact CZ-CB 4.11Å; F129-V142 HydrophobicContact CZ-CG2 3.69Å; F129-F165 HydrophobicContact CD2-CD1 4.18Å; F129-H168 WeakPolarHBondContact CB-NE2 3.44Å; F129-H168 AromaticContact CD1-CE1 3.37Å; F129-H168 WeakPolarHBondContact CD1-CE1 3.46Å; F129-H168 AromaticContact CD1-ND1 3.42Å; F129-H168 WeakPolarHBondContact CD1-ND1 3.46Å; F129-H168 AromaticContact CD1-NE2 3.93Å; F129-H168 HydrophobicContact CD2-CB 4.45Å; F129-H168 AromaticContact CD2-CD2 3.47Å; F129-H168 VanDerWaalsContact CD2-CD2 3.47Å; F129-H168 WeakPolarHBondContact CD2-CD2 3.13Å; F129-H168 AromaticContact CD2-CE1 3.82Å; F129-H168 AromaticContact CD2-CG 3.75Å; F129-H168 AromaticContact CD2-ND1 3.94Å; F129-H168 AromaticContact CD2-NE2 3.53Å; F129-H168 HydrophobicContact CE1-CB 4.37Å; F129-H168 AromaticContact CE1-CE1 3.99Å; F129-H168 AromaticContact CE1-CG 3.96Å; F129-H168 AromaticContact CE1-ND1 3.53Å; F129-H168 HydrophobicContact CE2-CB 3.87Å; F129-H168 AromaticContact CE2-CD2 3.77Å; F129-H168 AromaticContact CE2-CG 3.65Å; F129-H168 AromaticContact CG-CD2 3.78Å; F129-H168 AromaticContact CG-CE1 3.29Å; F129-H168 WeakPolarHBondContact CG-CE1 3.45Å; F129-H168 AromaticContact CG-CG 3.96Å; F129-H168 AromaticContact CG-ND1 3.65Å; F129-H168 AromaticContact CG-NE2 3.35Å; F129-H168 WeakPolarHBondContact CG-NE2 3.47Å; F129-H168 HydrophobicContact CZ-CB 3.84Å; F129-H168 AromaticContact CZ-CG 3.77Å; F129-H168 AromaticContact CZ-ND1 3.85Å; F129-R173 HydrophobicContact CE1-CB 4.24Å; F129-L174 HydrophobicContact CE2-CB 4.38Å; F129-L174 HydrophobicContact CE2-CD2 4.29Å; F129-L174 HydrophobicContact CZ-CB 4.02Å; F129-L174 HydrophobicContact CZ-CD1 4.46Å
130	D	95.8	Very high	96.1	Very high	99 Å²	99	41.9 Å²	41.9	53%	0.529	20%	0.197	S	C	.	.	H	α-helix	trans	-69.6	-31	-179.1	-72.8	-1.1	0	0	0	112.3	K126 S132	K126-D130 VanDerWaalsContact CE-OD2 3.3Å; K126-D130 WeakPolarHBondContact CE-OD2 3.4Å; K126-D130 VanDerWaalsContact CG-OD2 3.26Å; K126-D130 WeakPolarHBondContact CG-OD2 3.49Å; K126-D130 IonicContact NZ-OD2 3.9Å; K126-D130 PolarHBondContact NZ-OD2 3.44Å; K126-D130 VanDerWaalsContact O-CB 3.32Å; K126-D130 WeakPolarHBondContact O-CB 3.45Å; K126-D130 PolarHBondContact O-N 3.23Å; D130-S132 VanDerWaalsContact C-N 3.31Å
131	Q	95.6	Very high	96.3	Very high	35 Å²	35	41.1 Å²	41.1	16%	0.164	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.3	177.9	-61.2	-66.9	2	0	0	113.1	S127 F129 C234 S235 N237 E337	S127-Q131 WeakPolarHBondContact O-CB 3.3Å; S127-Q131 WeakPolarHBondContact O-CG 3.49Å; S127-Q131 PolarHBondContact O-N 3.19Å; S127-Q131 VanDerWaalsContact O-N 3.09Å; F129-Q131 VanDerWaalsContact C-N 3.31Å; F129-Q131 PolarHBondContact O-N 3.48Å; Q131-C234 HydrophobicContact CB-CB 4.22Å; Q131-C234 HydrophobicContact CG-CB 4.36Å; Q131-C234 WeakPolarHBondContact CG-O 3.46Å; Q131-S235 WeakPolarHBondContact CB-O 3.46Å; Q131-N237 PolarHBondContact O-N 3.07Å; Q131-E337 PolarHBondContact NE2-OE1 2.84Å; Q131-E337 VanDerWaalsContact NE2-OE1 3.15Å
132	S	95.5	Very high	96.4	Very high	12 Å²	12	41.1 Å²	41.1	8%	0.084	19%	0.194	C	C	.	.	S	Bend	trans	-92.3	134.4	174.5	-63.8	0	0	0	0	110.9	I128 F129 D130 E136 F238	I128-S132 WeakPolarHBondContact O-CB 3.4Å; I128-S132 PolarHBondContact O-N 3.35Å; I128-S132 PolarHBondContact O-OG 2.81Å; F129-S132 PolarHBondContact O-N 2.91Å; D130-S132 VanDerWaalsContact C-N 3.31Å; S132-E136 WeakPolarHBondContact CA-OE2 3.39Å; S132-F238 WeakPolarHBondContact OG-CE1 3.38Å
133	S	91.4	Very high	96.5	Very high	30 Å²	30	40.4 Å²	40.4	21%	0.21	19%	0.191	C	C	.	.			trans	-65.1	163.6	166.4	62	0	0	0	0	112.2	E135 E136 L137	S133-E135 PolarHBondContact O-N 2.97Å; S133-E136 WeakPolarHBondContact CB-OE2 3.4Å; S133-E136 PolarHBondContact N-OE2 3Å; S133-E136 PolarHBondContact O-N 3.45Å; S133-E136 WeakPolarHBondContact OG-CB 3.46Å; S133-E136 VanDerWaalsContact OG-CD 3.27Å; S133-E136 WeakPolarHBondContact OG-CG 3.18Å; S133-E136 PolarHBondContact OG-N 3.01Å; S133-E136 PolarHBondContact OG-OE2 3.32Å; S133-L137 VanDerWaalsContact O-CG 3.3Å; S133-L137 WeakPolarHBondContact O-CG 3.46Å; S133-L137 PolarHBondContact O-N 2.97Å
134	Y	91.6	Very high	96.6	Very high	145 Å²	145	35.6 Å²	35.6	57%	0.569	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-34.1	178.6	178.3	-109.4	0	0	0	112.6
135	E	92.8	Very high	96.6	Very high	109 Å²	109	35.6 Å²	35.6	51%	0.509	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-49.5	176.2	-70.5	59.7	-133.5	0	0	110.7	S133 L137 K138	S133-E135 PolarHBondContact O-N 2.97Å; E135-L137 VanDerWaalsContact C-N 3.31Å; E135-L137 PolarHBondContact O-N 3.02Å; E135-K138 WeakPolarHBondContact O-CB 3.35Å; E135-K138 PolarHBondContact O-N 3.34Å; E135-K138 VanDerWaalsContact O-N 3.1Å
136	E	96.3	Very high	96.6	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.019	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-61.3	-39.4	177.9	-71.2	169.3	137.7	0	0	112	S132 S133 K138 E139 I140 N237 L239 T240	S132-E136 WeakPolarHBondContact CA-OE2 3.39Å; S133-E136 WeakPolarHBondContact CB-OE2 3.4Å; S133-E136 PolarHBondContact N-OE2 3Å; S133-E136 PolarHBondContact O-N 3.45Å; S133-E136 WeakPolarHBondContact OG-CB 3.46Å; S133-E136 VanDerWaalsContact OG-CD 3.27Å; S133-E136 WeakPolarHBondContact OG-CG 3.18Å; S133-E136 PolarHBondContact OG-N 3.01Å; S133-E136 PolarHBondContact OG-OE2 3.32Å; E136-K138 PolarHBondContact O-N 3.48Å; E136-K138 VanDerWaalsContact O-N 3.09Å; E136-E139 CarbonylContact O-C 3.59Å; E136-E139 WeakPolarHBondContact O-CA 3.3Å; E136-E139 PolarHBondContact O-N 3.27Å; E136-I140 PolarHBondContact O-N 3.06Å; E136-I140 VanDerWaalsContact O-N 3.1Å; E136-N237 VanDerWaalsContact OE1-CA 3.3Å; E136-N237 WeakPolarHBondContact OE1-CA 3.35Å; E136-N237 VanDerWaalsContact OE1-O 3.06Å; E136-N237 WeakPolarHBondContact OE2-CA 3.07Å; E136-L239 HydrophobicContact CB-CB 4.2Å; E136-L239 HydrophobicContact CB-CD2 3.88Å; E136-L239 HydrophobicContact CB-CG 4.46Å; E136-L239 HydrophobicContact CG-CB 3.78Å; E136-L239 HydrophobicContact CG-CD2 3.94Å; E136-L239 HydrophobicContact CG-CG 4.05Å; E136-L239 WeakPolarHBondContact OE1-CA 3.41Å; E136-L239 WeakPolarHBondContact OE1-CB 3.34Å; E136-L239 PolarHBondContact OE1-N 2.94Å; E136-L239 VanDerWaalsContact OE1-N 3.08Å; E136-T240 WeakPolarHBondContact OE1-CB 3.44Å; E136-T240 PolarHBondContact OE1-N 2.98Å; E136-T240 PolarHBondContact OE1-OG1 2.94Å
137	L	96	Very high	96.5	Very high	18 Å²	18	30.5 Å²	30.5	9%	0.094	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-59.1	-22.8	177.2	-72.3	178.4	0	0	0	113.6	F129 S133 E135 E139 I140 R173	F129-L137 HydrophobicContact CD1-CD2 3.67Å; F129-L137 HydrophobicContact CE1-CD2 4.45Å; S133-L137 VanDerWaalsContact O-CG 3.3Å; S133-L137 WeakPolarHBondContact O-CG 3.46Å; S133-L137 PolarHBondContact O-N 2.97Å; E135-L137 VanDerWaalsContact C-N 3.31Å; E135-L137 PolarHBondContact O-N 3.02Å; L137-E139 VanDerWaalsContact C-N 3.27Å; L137-I140 HydrophobicContact CD2-CD1 3.86Å; L137-I140 HydrophobicContact CD2-CG1 4.46Å; L137-R173 WeakPolarHBondContact O-CD 3.42Å; L137-R173 PolarHBondContact O-NE 3.25Å; L137-R173 VanDerWaalsContact O-NE 3.13Å
138	K	95.2	Very high	96.5	Very high	95 Å²	95	31.4 Å²	31.4	41%	0.413	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-76.1	-20.5	175	-65.1	169.8	-175.3	167.8	0	112.2	K104 E135 E136	K104-K138 PolarHBondContact NZ-O 3.3Å; E135-K138 WeakPolarHBondContact O-CB 3.35Å; E135-K138 PolarHBondContact O-N 3.34Å; E135-K138 VanDerWaalsContact O-N 3.1Å; E136-K138 PolarHBondContact O-N 3.48Å; E136-K138 VanDerWaalsContact O-N 3.09Å
139	E	97.3	Very high	96.4	Very high	65 Å²	65	33.7 Å²	33.7	30%	0.304	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-7.8	-168	-62.5	-167	-94.1	0	0	114.1	K104 F105 L106 E136 L137 L239 K243	K104-E139 WeakPolarHBondContact CB-O 3.4Å; F105-E139 HydrophobicContact CB-CB 3.93Å; F105-E139 PolarHBondContact N-O 3.05Å; L106-E139 PolarHBondContact N-O 2.82Å; L106-E139 VanDerWaalsContact N-O 3.12Å; E136-E139 CarbonylContact O-C 3.59Å; E136-E139 WeakPolarHBondContact O-CA 3.3Å; E136-E139 PolarHBondContact O-N 3.27Å; L137-E139 VanDerWaalsContact C-N 3.27Å; E139-L239 HydrophobicContact CB-CD2 4Å; E139-K243 IonicContact OE1-NZ 3.13Å; E139-K243 PolarHBondContact OE1-NZ 3.2Å; E139-K243 IonicContact OE2-NZ 3.64Å; E139-K243 PolarHBondContact OE2-NZ 2.95Å
140	I	97.3	Very high	96.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	151.4	174.3	68.8	177.2	0	0	0	112.9	L106 I128 F129 E136 L137 L239	L106-I140 HydrophobicContact CB-CG2 4.45Å; L106-I140 CarbonylContact O-C 3.56Å; L106-I140 WeakPolarHBondContact O-CA 3.46Å; I128-I140 HydrophobicContact CG2-CD1 4.21Å; F129-I140 HydrophobicContact CD1-CD1 4.26Å; F129-I140 HydrophobicContact CE1-CD1 4.25Å; E136-I140 PolarHBondContact O-N 3.06Å; E136-I140 VanDerWaalsContact O-N 3.1Å; L137-I140 HydrophobicContact CD2-CD1 3.86Å; L137-I140 HydrophobicContact CD2-CG1 4.46Å; I140-L239 HydrophobicContact CG2-CD2 3.56Å
141	V	98.1	Very high	96.2	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.042	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.9	159.7	57.9	0	0	0	0	109	K104 L106 T107 I108 L175 L221	K104-V141 HydrophobicContact CB-CG1 4.3Å; K104-V141 HydrophobicContact CG-CB 4.38Å; K104-V141 HydrophobicContact CG-CG1 4.29Å; L106-V141 PolarHBondContact O-N 2.88Å; T107-V141 CarbonylContact C-O 3.58Å; T107-V141 VanDerWaalsContact CA-O 3.27Å; T107-V141 WeakPolarHBondContact CA-O 3.39Å; T107-V141 HydrophobicContact CG2-CG1 4.17Å; T107-V141 WeakPolarHBondContact OG1-CG1 3.41Å; I108-V141 PolarHBondContact N-O 3.26Å; V141-L175 HydrophobicContact CG2-CD1 4.07Å; V141-L175 HydrophobicContact CG2-CG 4.19Å; V141-L221 HydrophobicContact CG1-CB 4.34Å
142	V	98.7	Very high	96.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129.1	176	-176.4	0	0	0	0	108.4	I108 L110 I128 F129 V144 R173 L174 L175	I108-V142 HydrophobicContact CB-CG2 4.4Å; I108-V142 HydrophobicContact CD1-CG2 4.48Å; I108-V142 CarbonylContact O-C 3.55Å; I108-V142 WeakPolarHBondContact O-CA 3.41Å; L110-V142 HydrophobicContact CD1-CG1 4.13Å; L110-V142 HydrophobicContact CG-CG1 4.44Å; I128-V142 HydrophobicContact CD1-CG1 4.35Å; I128-V142 HydrophobicContact CG2-CG2 3.74Å; F129-V142 HydrophobicContact CE1-CG2 3.73Å; F129-V142 HydrophobicContact CZ-CB 4.11Å; F129-V142 HydrophobicContact CZ-CG2 3.69Å; V142-V144 HydrophobicContact CG1-CG2 4.41Å; V142-R173 PolarHBondContact N-O 3.2Å; V142-L174 HydrophobicContact CB-CD1 3.85Å; V142-L174 HydrophobicContact CG1-CD1 3.82Å; V142-L174 CarbonylContact O-C 3.58Å; V142-L174 WeakPolarHBondContact O-CA 3.37Å; V142-L175 PolarHBondContact O-N 3.26Å
143	V	98.8	Very high	96.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.2	176	-177.6	0	0	0	0	108.8	T107 I108 L110 L175 I177 L214 F217 L221	T107-V143 HydrophobicContact CG2-CG2 3.81Å; I108-V143 PolarHBondContact O-N 3.3Å; L110-V143 PolarHBondContact N-O 3.06Å; V143-L175 WeakPolarHBondContact CA-O 3.03Å; V143-L175 HydrophobicContact CG2-CB 4.33Å; V143-L175 HydrophobicContact CG2-CD1 4.21Å; V143-I177 HydrophobicContact CG1-CD1 3.85Å; V143-I177 HydrophobicContact CG1-CG1 4.12Å; V143-L214 HydrophobicContact CB-CD1 4.2Å; V143-L214 HydrophobicContact CG1-CD1 3.73Å; V143-F217 HydrophobicContact CG1-CD1 3.78Å; V143-F217 HydrophobicContact CG1-CE1 3.8Å; V143-F217 HydrophobicContact CG2-CD1 4.48Å; V143-F217 HydrophobicContact CG2-CE1 4.2Å; V143-L221 HydrophobicContact CG2-CD1 3.68Å
144	V	98.8	Very high	96.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	113	175.3	-178.7	0	0	0	0	108.6	L110 L121 I125 V142 L146 I161 L174 L175 V176 I177	L110-V144 HydrophobicContact CB-CG2 4.45Å; L110-V144 HydrophobicContact CD1-CG2 4.2Å; L110-V144 WeakPolarHBondContact O-CA 3.13Å; L121-V144 HydrophobicContact CD1-CG1 4.04Å; L121-V144 HydrophobicContact CD1-CG2 4.49Å; L121-V144 HydrophobicContact CD2-CG1 4.01Å; I125-V144 HydrophobicContact CD1-CG2 3.9Å; I125-V144 HydrophobicContact CG1-CG2 4.3Å; V142-V144 HydrophobicContact CG1-CG2 4.41Å; V144-L146 HydrophobicContact CG1-CD2 3.75Å; V144-L146 HydrophobicContact CG1-CG 4.28Å; V144-I161 HydrophobicContact CG1-CD1 4.49Å; V144-L174 HydrophobicContact CG2-CD1 3.89Å; V144-L175 PolarHBondContact N-O 2.85Å; V144-V176 HydrophobicContact CB-CG1 4.44Å; V144-V176 HydrophobicContact CB-CG2 4.37Å; V144-V176 WeakPolarHBondContact O-CA 3.31Å; V144-I177 PolarHBondContact O-N 3.33Å
145	H	98.6	Very high	96.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	107.3	166.7	-178.9	-153	0	0	0	109.1	L110 S111 S112 A147 I177 A179 D210 L214	L110-H145 PolarHBondContact O-N 3.13Å; S111-H145 WeakPolarHBondContact CA-O 3.38Å; S112-H145 PolarHBondContact N-O 2.79Å; H145-A147 PolarHBondContact O-N 2.79Å; H145-A147 VanDerWaalsContact O-N 3.16Å; H145-I177 HydrophobicContact CB-CD1 4.41Å; H145-I177 HydrophobicContact CB-CG1 4.13Å; H145-A179 WeakPolarHBondContact NE2-CB 3.43Å; H145-A179 PolarHBondContact NE2-N 3Å; H145-D210 PolarHBondContact ND1-O 2.77Å; H145-D210 VanDerWaalsContact ND1-O 3.12Å; H145-L214 HydrophobicContact CB-CB 4.15Å; H145-L214 HydrophobicContact CB-CD1 3.98Å; H145-L214 HydrophobicContact CB-CD2 4.41Å; H145-L214 HydrophobicContact CB-CG 4.4Å
146	L	98.4	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	93.7	168.8	-61.7	-176.1	0	0	0	107.8	L95 L121 V144 W153 C154 V157 V158 V176 I177 Q178	L95-L146 HydrophobicContact CD1-CD1 4.08Å; L121-L146 HydrophobicContact CD2-CD2 3.91Å; V144-L146 HydrophobicContact CG1-CD2 3.75Å; V144-L146 HydrophobicContact CG1-CG 4.28Å; L146-W153 HydrophobicContact CD2-CH2 4.37Å; L146-W153 HydrophobicContact CD2-CZ3 4.39Å; L146-C154 HydrophobicContact CB-CB 4.49Å; L146-C154 HydrophobicContact CD1-CB 4.23Å; L146-V157 HydrophobicContact CD1-CB 4.19Å; L146-V157 HydrophobicContact CD1-CG1 4.04Å; L146-V157 HydrophobicContact CD2-CG1 3.76Å; L146-V158 HydrophobicContact CD1-CG2 3.65Å; L146-V176 HydrophobicContact CD1-CG1 3.72Å; L146-V176 HydrophobicContact CG-CG1 3.81Å; L146-I177 PolarHBondContact N-O 3.3Å; L146-Q178 WeakPolarHBondContact O-CG 3.33Å
147	A	97.3	Very high	97	Very high	2 Å²	2	35 Å²	35	2%	0.017	18%	0.175	C	C	.	.			trans	-91.1	3.3	-168.3	0	0	0	0	0	113.1	S112 V113 H145 K206 D210	S112-A147 PolarHBondContact O-N 2.94Å; V113-A147 HydrophobicContact CG1-CB 4.07Å; H145-A147 PolarHBondContact O-N 2.79Å; H145-A147 VanDerWaalsContact O-N 3.16Å; A147-K206 WeakPolarHBondContact O-CE 3.38Å; A147-K206 PolarHBondContact O-NZ 3.42Å; A147-D210 HydrophobicContact CB-CB 3.91Å
148	D	96.2	Very high	97.1	Very high	32 Å²	32	35 Å²	35	17%	0.171	18%	0.176	C	C	.	.			trans	-76.3	148.3	176.3	-149.1	-76.4	0	0	0	111.8	K114 D150 W153	K114-D148 HydrophobicContact CB-CB 4.43Å; K114-D148 WeakPolarHBondContact CB-OD2 3.33Å; K114-D148 PolarHBondContact N-OD2 2.92Å; D148-D150 VanDerWaalsContact C-N 3.34Å; D148-D150 VanDerWaalsContact OD1-CB 3.32Å; D148-D150 WeakPolarHBondContact OD1-CB 3.3Å; D148-D150 PolarHBondContact OD1-N 3.06Å; D148-W153 HydrophobicContact CB-CE3 3.6Å; D148-W153 HydrophobicContact CB-CZ3 3.63Å
149	F	95.9	Very high	97.3	Very high	48 Å²	48	36.6 Å²	36.6	21%	0.211	19%	0.185	C	C	.	.	S	Bend	trans	-84.3	-13.1	176	-58.2	-29.9	0	0	0	112.2	L151 E181 Y184 L187 K206	F149-L151 PolarHBondContact O-N 3.27Å; F149-E181 HydrophobicContact CD1-CB 3.95Å; F149-E181 HydrophobicContact CD1-CG 4.16Å; F149-E181 HydrophobicContact CD2-CG 4.1Å; F149-E181 WeakPolarHBondContact CD2-OE1 3.49Å; F149-E181 HydrophobicContact CE1-CB 3.94Å; F149-E181 HydrophobicContact CE1-CG 3.96Å; F149-E181 HydrophobicContact CE2-CG 3.89Å; F149-E181 WeakPolarHBondContact CE2-OE1 3.48Å; F149-E181 HydrophobicContact CG-CB 4.35Å; F149-E181 HydrophobicContact CG-CG 4.24Å; F149-E181 HydrophobicContact CZ-CB 4.32Å; F149-E181 HydrophobicContact CZ-CG 3.82Å; F149-Y184 HydrophobicContact CE1-CD1 4.3Å; F149-Y184 AromaticContact CE1-CD2 3.86Å; F149-Y184 HydrophobicContact CE1-CD2 3.86Å; F149-Y184 HydrophobicContact CE1-CE1 4.18Å; F149-Y184 AromaticContact CE1-CE2 3.75Å; F149-Y184 HydrophobicContact CE1-CE2 3.75Å; F149-Y184 HydrophobicContact CE1-CG 4.16Å; F149-Y184 AromaticContact CE1-CZ 3.92Å; F149-Y184 AromaticContact CZ-CD1 3.85Å; F149-Y184 HydrophobicContact CZ-CD1 3.85Å; F149-Y184 HydrophobicContact CZ-CD2 4.06Å; F149-Y184 HydrophobicContact CZ-CE1 4.05Å; F149-Y184 HydrophobicContact CZ-CE2 4.26Å; F149-Y184 AromaticContact CZ-CG 3.87Å; F149-Y184 HydrophobicContact CZ-CG 3.87Å; F149-L187 HydrophobicContact CE2-CD1 4.07Å; F149-L187 HydrophobicContact CZ-CD1 4.23Å; F149-K206 HydrophobicContact CE2-CD 4.28Å; F149-K206 HydrophobicContact CZ-CD 4.27Å
150	D	96	Very high	97.3	Very high	52 Å²	52	36.9 Å²	36.9	28%	0.278	19%	0.187	S	C	.	.			trans	-71.2	90.8	169.8	-175.3	-13.7	0	0	0	110.8	K114 D148 V152 W153 C154	K114-D150 IonicContact NZ-OD2 2.7Å; K114-D150 PolarHBondContact NZ-OD2 2.85Å; D148-D150 VanDerWaalsContact C-N 3.34Å; D148-D150 VanDerWaalsContact OD1-CB 3.32Å; D148-D150 WeakPolarHBondContact OD1-CB 3.3Å; D148-D150 PolarHBondContact OD1-N 3.06Å; D150-V152 PolarHBondContact O-N 3.4Å; D150-V152 PolarHBondContact OD1-N 2.78Å; D150-W153 HydrophobicContact CB-CB 3.93Å; D150-W153 WeakPolarHBondContact O-CB 3.4Å; D150-W153 PolarHBondContact O-N 3.09Å; D150-W153 VanDerWaalsContact O-N 3.14Å; D150-W153 PolarHBondContact OD1-N 2.92Å; D150-C154 PolarHBondContact O-N 3.48Å; D150-C154 PolarHBondContact O-SG 3.23Å
151	L	94.7	Very high	97.3	Very high	75 Å²	75	36.9 Å²	36.9	39%	0.393	19%	0.187	S	C	.	.	H	α-helix	trans	-61.6	-31.6	-179.4	-61.9	-177.4	0	0	0	113	F149 C154 E155	F149-L151 PolarHBondContact O-N 3.27Å; L151-C154 WeakPolarHBondContact O-CB 3.49Å; L151-C154 PolarHBondContact O-N 3.47Å; L151-E155 WeakPolarHBondContact O-CG 2.85Å; L151-E155 PolarHBondContact O-N 3.4Å
152	V	96.2	Very high	97.3	Very high	95 Å²	95	39.4 Å²	39.4	58%	0.576	20%	0.202	S	C	*	.	H	α-helix	trans	-67.5	-40.9	177.1	178.1	0	0	0	0	110	D150 N156	D150-V152 PolarHBondContact O-N 3.4Å; D150-V152 PolarHBondContact OD1-N 2.78Å; V152-N156 PolarHBondContact O-N 3.32Å; V152-N156 VanDerWaalsContact O-N 3.13Å; V152-N156 PolarHBondContact O-ND2 3.25Å
153	W	95.6	Very high	97.3	Very high	33 Å²	33	47.8 Å²	47.8	13%	0.125	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-45.3	171.6	176.5	81	0	0	0	111.5	K114 L146 D148 D150 E155 N156 V157	K114-W153 HydrophobicContact CB-CD2 3.82Å; K114-W153 HydrophobicContact CB-CE3 4.28Å; K114-W153 HydrophobicContact CB-CG 4.07Å; K114-W153 HydrophobicContact CB-CZ2 4.31Å; K114-W153 HydrophobicContact CD-CB 4.03Å; K114-W153 HydrophobicContact CD-CD2 4.44Å; K114-W153 HydrophobicContact CD-CG 3.81Å; K114-W153 HydrophobicContact CG-CD2 4.13Å; K114-W153 HydrophobicContact CG-CG 3.9Å; L146-W153 HydrophobicContact CD2-CH2 4.37Å; L146-W153 HydrophobicContact CD2-CZ3 4.39Å; D148-W153 HydrophobicContact CB-CE3 3.6Å; D148-W153 HydrophobicContact CB-CZ3 3.63Å; D150-W153 HydrophobicContact CB-CB 3.93Å; D150-W153 WeakPolarHBondContact O-CB 3.4Å; D150-W153 PolarHBondContact O-N 3.09Å; D150-W153 VanDerWaalsContact O-N 3.14Å; D150-W153 PolarHBondContact OD1-N 2.92Å; W153-E155 PolarHBondContact O-N 2.82Å; W153-N156 PolarHBondContact O-N 3.36Å; W153-V157 HydrophobicContact CD2-CG2 3.98Å; W153-V157 HydrophobicContact CE3-CG2 4.44Å; W153-V157 HydrophobicContact CG-CG2 4.49Å; W153-V157 HydrophobicContact CH2-CG2 4.16Å; W153-V157 HydrophobicContact CZ2-CG2 3.65Å; W153-V157 WeakPolarHBondContact O-CG2 3.47Å; W153-V157 PolarHBondContact O-N 2.93Å
154	C	96.9	Very high	97.2	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.027	25%	0.253	C	S	.	.	H	α-helix	trans	-56.9	-47.3	177.3	-69.7	0	0	0	0	111.8	L146 D150 L151 N156 V157 V158	L146-C154 HydrophobicContact CB-CB 4.49Å; L146-C154 HydrophobicContact CD1-CB 4.23Å; D150-C154 PolarHBondContact O-N 3.48Å; D150-C154 PolarHBondContact O-SG 3.23Å; L151-C154 WeakPolarHBondContact O-CB 3.49Å; L151-C154 PolarHBondContact O-N 3.47Å; C154-N156 PolarHBondContact O-N 3.25Å; C154-V157 PolarHBondContact O-N 2.89Å; C154-V158 VanDerWaalsContact O-CG2 3.22Å; C154-V158 WeakPolarHBondContact O-CG2 3.22Å; C154-V158 PolarHBondContact O-N 2.91Å
155	E	96.7	Very high	97.2	Very high	121 Å²	121	52.8 Å²	52.8	57%	0.565	26%	0.255	S	S	*	.	H	α-helix	trans	-59.7	-44.5	177.6	-75.4	175.1	-175.4	0	0	112.4	L151 W153 V157 V158 Q159	L151-E155 WeakPolarHBondContact O-CG 2.85Å; L151-E155 PolarHBondContact O-N 3.4Å; W153-E155 PolarHBondContact O-N 2.82Å; E155-V157 PolarHBondContact O-N 2.97Å; E155-V158 PolarHBondContact O-N 2.8Å; E155-Q159 WeakPolarHBondContact O-CG 3.37Å; E155-Q159 PolarHBondContact O-N 2.98Å
156	N	97.1	Very high	97.2	Very high	83 Å²	83	54.6 Å²	54.6	44%	0.444	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-44	176.7	-73.5	-44.5	0	0	0	111.8	V152 W153 C154 V158 Q159 E160	V152-N156 PolarHBondContact O-N 3.32Å; V152-N156 VanDerWaalsContact O-N 3.13Å; V152-N156 PolarHBondContact O-ND2 3.25Å; W153-N156 PolarHBondContact O-N 3.36Å; C154-N156 PolarHBondContact O-N 3.25Å; N156-V158 VanDerWaalsContact C-N 3.35Å; N156-V158 PolarHBondContact O-N 2.68Å; N156-Q159 WeakPolarHBondContact O-CB 3.33Å; N156-Q159 PolarHBondContact O-N 3.19Å; N156-E160 PolarHBondContact O-N 2.87Å
157	V	97.8	Very high	97.1	Very high	4 Å²	4	60 Å²	60	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-40.7	177.4	173.1	0	0	0	0	111.2	L121 L146 W153 C154 E155 Q159 E160 I161	L121-V157 HydrophobicContact CD2-CG1 3.81Å; L146-V157 HydrophobicContact CD1-CB 4.19Å; L146-V157 HydrophobicContact CD1-CG1 4.04Å; L146-V157 HydrophobicContact CD2-CG1 3.76Å; W153-V157 HydrophobicContact CD2-CG2 3.98Å; W153-V157 HydrophobicContact CE3-CG2 4.44Å; W153-V157 HydrophobicContact CG-CG2 4.49Å; W153-V157 HydrophobicContact CH2-CG2 4.16Å; W153-V157 HydrophobicContact CZ2-CG2 3.65Å; W153-V157 WeakPolarHBondContact O-CG2 3.47Å; W153-V157 PolarHBondContact O-N 2.93Å; C154-V157 PolarHBondContact O-N 2.89Å; E155-V157 PolarHBondContact O-N 2.97Å; V157-Q159 VanDerWaalsContact C-N 3.32Å; V157-Q159 PolarHBondContact O-N 2.87Å; V157-E160 PolarHBondContact O-N 3.48Å; V157-I161 HydrophobicContact CG1-CD1 3.75Å; V157-I161 HydrophobicContact CG1-CG1 4.25Å; V157-I161 WeakPolarHBondContact O-CB 3.26Å; V157-I161 VanDerWaalsContact O-CG1 3.32Å; V157-I161 WeakPolarHBondContact O-CG1 3.36Å; V157-I161 PolarHBondContact O-N 2.96Å
158	V	97.9	Very high	97.1	Very high	19 Å²	19	60.3 Å²	60.3	12%	0.115	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-41.3	175.4	173.1	0	0	0	0	111.3	L95 A96 L146 C154 E155 N156 I161 T162 V176	L95-V158 HydrophobicContact CB-CG1 4.36Å; L95-V158 HydrophobicContact CB-CG2 3.66Å; L95-V158 HydrophobicContact CD1-CG2 3.73Å; L95-V158 HydrophobicContact CG-CG2 4.31Å; A96-V158 HydrophobicContact CB-CG1 4.49Å; L146-V158 HydrophobicContact CD1-CG2 3.65Å; C154-V158 VanDerWaalsContact O-CG2 3.22Å; C154-V158 WeakPolarHBondContact O-CG2 3.22Å; C154-V158 PolarHBondContact O-N 2.91Å; E155-V158 PolarHBondContact O-N 2.8Å; N156-V158 VanDerWaalsContact C-N 3.35Å; N156-V158 PolarHBondContact O-N 2.68Å; V158-I161 PolarHBondContact O-N 3Å; V158-T162 VanDerWaalsContact O-CB 3.28Å; V158-T162 WeakPolarHBondContact O-CB 3.3Å; V158-T162 PolarHBondContact O-N 2.97Å; V158-T162 PolarHBondContact O-OG1 2.69Å; V158-V176 HydrophobicContact CG2-CG1 4.05Å
159	Q	98.1	Very high	97.2	Very high	128 Å²	128	60 Å²	60	60%	0.598	30%	0.295	S	S	*	.	H	α-helix	trans	-62.7	-43.6	176	-70.6	177.6	9.4	0	0	111.6	E155 N156 V157 T162 R163	E155-Q159 WeakPolarHBondContact O-CG 3.37Å; E155-Q159 PolarHBondContact O-N 2.98Å; N156-Q159 WeakPolarHBondContact O-CB 3.33Å; N156-Q159 PolarHBondContact O-N 3.19Å; V157-Q159 VanDerWaalsContact C-N 3.32Å; V157-Q159 PolarHBondContact O-N 2.87Å; Q159-T162 PolarHBondContact O-N 3.37Å; Q159-R163 WeakPolarHBondContact O-CB 3.26Å; Q159-R163 PolarHBondContact O-N 3.11Å
160	E	97.9	Very high	97.2	Very high	71 Å²	71	64.7 Å²	64.7	33%	0.332	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-44.1	176.4	-68.1	-160.1	105.2	0	0	112.6	L122 N156 V157 R163 K164	L122-E160 HydrophobicContact CD1-CB 3.99Å; L122-E160 HydrophobicContact CD2-CB 4.33Å; N156-E160 PolarHBondContact O-N 2.87Å; V157-E160 PolarHBondContact O-N 3.48Å; E160-R163 PolarHBondContact O-N 3.46Å; E160-K164 PolarHBondContact O-N 3.43Å
161	I	98.4	Very high	97.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-48.1	175.9	-71.8	172.3	0	0	0	109.9	L121 L122 I125 V144 V157 V158 R163 K164 F165 I169 L174 V176	L121-I161 HydrophobicContact CD2-CD1 4.15Å; L122-I161 HydrophobicContact CD2-CG1 3.63Å; I125-I161 HydrophobicContact CD1-CD1 4.07Å; I125-I161 HydrophobicContact CD1-CG1 4.12Å; V144-I161 HydrophobicContact CG1-CD1 4.49Å; V157-I161 HydrophobicContact CG1-CD1 3.75Å; V157-I161 HydrophobicContact CG1-CG1 4.25Å; V157-I161 WeakPolarHBondContact O-CB 3.26Å; V157-I161 VanDerWaalsContact O-CG1 3.32Å; V157-I161 WeakPolarHBondContact O-CG1 3.36Å; V157-I161 PolarHBondContact O-N 2.96Å; V158-I161 PolarHBondContact O-N 3Å; I161-R163 VanDerWaalsContact C-N 3.34Å; I161-R163 PolarHBondContact O-N 2.9Å; I161-K164 PolarHBondContact O-N 2.77Å; I161-F165 HydrophobicContact CG2-CD2 4.22Å; I161-F165 WeakPolarHBondContact O-CA 3.25Å; I161-F165 WeakPolarHBondContact O-CB 3.48Å; I161-F165 WeakPolarHBondContact O-CD2 3.27Å; I161-F165 PolarHBondContact O-N 2.97Å; I161-I169 HydrophobicContact CG2-CD1 4.25Å; I161-L174 HydrophobicContact CG2-CD2 3.61Å; I161-V176 HydrophobicContact CD1-CG2 4.08Å; I161-V176 HydrophobicContact CG2-CG2 3.92Å
162	T	97.7	Very high	97.2	Very high	60 Å²	60	61.1 Å²	61.1	37%	0.368	31%	0.31	S	S	.	.	H	α-helix	trans	-61.1	-44.4	-179.8	-58.8	0	0	0	0	110.7	V158 Q159 K164 A166	V158-T162 VanDerWaalsContact O-CB 3.28Å; V158-T162 WeakPolarHBondContact O-CB 3.3Å; V158-T162 PolarHBondContact O-N 2.97Å; V158-T162 PolarHBondContact O-OG1 2.69Å; Q159-T162 PolarHBondContact O-N 3.37Å; T162-K164 PolarHBondContact O-N 2.49Å; T162-A166 WeakPolarHBondContact O-CA 3.35Å; T162-A166 VanDerWaalsContact O-CB 3.26Å; T162-A166 WeakPolarHBondContact O-CB 3.44Å; T162-A166 PolarHBondContact O-N 3.4Å
163	R	97.9	Very high	97.2	Very high	177 Å²	177	58.7 Å²	58.7	67%	0.668	29%	0.29	S	S	*	.	H	α-helix	trans	-61.8	-41	178.6	-173.4	-178.3	67.1	87.8	-6.2	112.8	Q159 E160 I161	Q159-R163 WeakPolarHBondContact O-CB 3.26Å; Q159-R163 PolarHBondContact O-N 3.11Å; E160-R163 PolarHBondContact O-N 3.46Å; I161-R163 VanDerWaalsContact C-N 3.34Å; I161-R163 PolarHBondContact O-N 2.9Å
164	K	97.9	Very high	97.3	Very high	91 Å²	91	57.1 Å²	57.1	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-86.9	-32	-175.6	-69.6	-175.6	179.9	-179	0	113.6	L122 E160 I161 T162	L122-K164 HydrophobicContact CD1-CD 4.16Å; E160-K164 PolarHBondContact O-N 3.43Å; I161-K164 PolarHBondContact O-N 2.77Å; T162-K164 PolarHBondContact O-N 2.49Å
165	F	98.3	Very high	97.4	Very high	13 Å²	13	57 Å²	57	6%	0.057	28%	0.283	C	S	.	.	H	α-helix	trans	-125.9	19.8	-167.3	-51.9	-70	0	0	0	113.8	L122 I125 K126 F129 I161 H167 H168 I169 L174	L122-F165 HydrophobicContact CD2-CE2 4.05Å; L122-F165 WeakPolarHBondContact O-CZ 3.2Å; I125-F165 HydrophobicContact CB-CE2 3.97Å; I125-F165 HydrophobicContact CB-CZ 3.96Å; I125-F165 HydrophobicContact CD1-CE2 4.45Å; I125-F165 HydrophobicContact CG2-CD1 3.97Å; I125-F165 HydrophobicContact CG2-CD2 3.78Å; I125-F165 HydrophobicContact CG2-CE1 3.84Å; I125-F165 HydrophobicContact CG2-CE2 3.63Å; I125-F165 HydrophobicContact CG2-CG 3.94Å; I125-F165 HydrophobicContact CG2-CZ 3.67Å; K126-F165 HydrophobicContact CB-CE1 4.13Å; K126-F165 HydrophobicContact CB-CZ 4.04Å; F129-F165 HydrophobicContact CD2-CD1 4.18Å; I161-F165 HydrophobicContact CG2-CD2 4.22Å; I161-F165 WeakPolarHBondContact O-CA 3.25Å; I161-F165 WeakPolarHBondContact O-CB 3.48Å; I161-F165 WeakPolarHBondContact O-CD2 3.27Å; I161-F165 PolarHBondContact O-N 2.97Å; F165-H167 PolarHBondContact O-N 3.02Å; F165-H167 VanDerWaalsContact O-N 3.09Å; F165-H168 PolarHBondContact O-N 3.07Å; F165-I169 PolarHBondContact O-N 3.21Å; F165-I169 VanDerWaalsContact O-N 3.09Å; F165-L174 HydrophobicContact CB-CD2 3.72Å; F165-L174 HydrophobicContact CD2-CD2 4.44Å; F165-L174 HydrophobicContact CG-CD2 4.29Å
166	A	97.8	Very high	97.5	Very high	39 Å²	39	51.2 Å²	51.2	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-45.6	-43.8	178.1	0	0	0	0	0	113.3	T162 H168 I169 I170	T162-A166 WeakPolarHBondContact O-CA 3.35Å; T162-A166 VanDerWaalsContact O-CB 3.26Å; T162-A166 WeakPolarHBondContact O-CB 3.44Å; T162-A166 PolarHBondContact O-N 3.4Å; A166-H168 VanDerWaalsContact C-N 3.34Å; A166-H168 PolarHBondContact O-N 3.18Å; A166-I169 PolarHBondContact O-N 3.24Å; A166-I170 WeakPolarHBondContact O-CB 3.39Å; A166-I170 VanDerWaalsContact O-CG1 3.25Å; A166-I170 WeakPolarHBondContact O-CG1 3.27Å; A166-I170 PolarHBondContact O-N 3.14Å
167	H	96.6	Very high	97.5	Very high	112 Å²	112	47.3 Å²	47.3	52%	0.519	24%	0.235	S	C	.	.	H	α-helix	trans	-64.3	-35.3	-179.7	63.5	-79.2	0	0	0	113.1	F165 A171	F165-H167 PolarHBondContact O-N 3.02Å; F165-H167 VanDerWaalsContact O-N 3.09Å; H167-A171 WeakPolarHBondContact O-CB 3.29Å; H167-A171 PolarHBondContact O-N 2.82Å
168	H	97.7	Very high	97.5	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.046	24%	0.236	C	C	.	.	H	α-helix	trans	-72	-35.7	173.2	-69.5	-75.3	0	0	0	112.1	F129 F165 A166 G172 R173 L174	F129-H168 WeakPolarHBondContact CB-NE2 3.44Å; F129-H168 AromaticContact CD1-CE1 3.37Å; F129-H168 WeakPolarHBondContact CD1-CE1 3.46Å; F129-H168 AromaticContact CD1-ND1 3.42Å; F129-H168 WeakPolarHBondContact CD1-ND1 3.46Å; F129-H168 AromaticContact CD1-NE2 3.93Å; F129-H168 HydrophobicContact CD2-CB 4.45Å; F129-H168 AromaticContact CD2-CD2 3.47Å; F129-H168 VanDerWaalsContact CD2-CD2 3.47Å; F129-H168 WeakPolarHBondContact CD2-CD2 3.13Å; F129-H168 AromaticContact CD2-CE1 3.82Å; F129-H168 AromaticContact CD2-CG 3.75Å; F129-H168 AromaticContact CD2-ND1 3.94Å; F129-H168 AromaticContact CD2-NE2 3.53Å; F129-H168 HydrophobicContact CE1-CB 4.37Å; F129-H168 AromaticContact CE1-CE1 3.99Å; F129-H168 AromaticContact CE1-CG 3.96Å; F129-H168 AromaticContact CE1-ND1 3.53Å; F129-H168 HydrophobicContact CE2-CB 3.87Å; F129-H168 AromaticContact CE2-CD2 3.77Å; F129-H168 AromaticContact CE2-CG 3.65Å; F129-H168 AromaticContact CG-CD2 3.78Å; F129-H168 AromaticContact CG-CE1 3.29Å; F129-H168 WeakPolarHBondContact CG-CE1 3.45Å; F129-H168 AromaticContact CG-CG 3.96Å; F129-H168 AromaticContact CG-ND1 3.65Å; F129-H168 AromaticContact CG-NE2 3.35Å; F129-H168 WeakPolarHBondContact CG-NE2 3.47Å; F129-H168 HydrophobicContact CZ-CB 3.84Å; F129-H168 AromaticContact CZ-CG 3.77Å; F129-H168 AromaticContact CZ-ND1 3.85Å; F165-H168 PolarHBondContact O-N 3.07Å; A166-H168 VanDerWaalsContact C-N 3.34Å; A166-H168 PolarHBondContact O-N 3.18Å; H168-G172 PolarHBondContact O-N 2.95Å; H168-R173 HydrophobicContact CB-CB 4.24Å; H168-R173 WeakPolarHBondContact O-CA 3.37Å; H168-R173 WeakPolarHBondContact O-CB 3.42Å; H168-R173 PolarHBondContact O-N 3.46Å; H168-L174 HydrophobicContact CB-CB 4.06Å; H168-L174 PolarHBondContact O-N 3.01Å
169	I	98.1	Very high	97.5	Very high	24 Å²	24	46.5 Å²	46.5	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-64.9	-50.5	175.8	-63.5	165.4	0	0	0	110.2	A96 I161 F165 A166 A171 G172 L174	A96-I169 HydrophobicContact CB-CD1 4.11Å; A96-I169 HydrophobicContact CB-CG2 4.4Å; I161-I169 HydrophobicContact CG2-CD1 4.25Å; F165-I169 PolarHBondContact O-N 3.21Å; F165-I169 VanDerWaalsContact O-N 3.09Å; A166-I169 PolarHBondContact O-N 3.24Å; I169-A171 VanDerWaalsContact C-N 3.27Å; I169-A171 PolarHBondContact O-N 3.35Å; I169-G172 PolarHBondContact O-N 2.9Å; I169-L174 HydrophobicContact CD1-CD2 4.48Å; I169-L174 HydrophobicContact CG1-CB 4.03Å; I169-L174 HydrophobicContact CG1-CD2 4Å; I169-L174 HydrophobicContact CG1-CG 4.17Å
170	I	95.9	Very high	97.4	Very high	147 Å²	147	40.6 Å²	40.6	75%	0.754	20%	0.203	S	C	*	.	H	α-helix	trans	-61.2	-38.2	179.1	-66.4	163.5	0	0	0	110.8	A166 G172	A166-I170 WeakPolarHBondContact O-CB 3.39Å; A166-I170 VanDerWaalsContact O-CG1 3.25Å; A166-I170 WeakPolarHBondContact O-CG1 3.27Å; A166-I170 PolarHBondContact O-N 3.14Å; I170-G172 PolarHBondContact O-N 3.33Å
171	A	94.5	Very high	97.3	Very high	45 Å²	45	42.2 Å²	42.2	37%	0.372	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-0.2	176.1	0	0	0	0	0	114.2	H167 I169 R173	H167-A171 WeakPolarHBondContact O-CB 3.29Å; H167-A171 PolarHBondContact O-N 2.82Å; I169-A171 VanDerWaalsContact C-N 3.27Å; I169-A171 PolarHBondContact O-N 3.35Å; A171-R173 VanDerWaalsContact C-N 3.27Å; A171-R173 HydrophobicContact CB-CG 4.04Å; A171-R173 PolarHBondContact O-N 3.36Å
172	G	95.4	Very high	97.2	Very high	7 Å²	7	48.7 Å²	48.7	7%	0.072	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	25.8	-177.4	0	0	0	0	0	113.9	H168 I169 I170	H168-G172 PolarHBondContact O-N 2.95Å; I169-G172 PolarHBondContact O-N 2.9Å; I170-G172 PolarHBondContact O-N 3.33Å
173	R	96.3	Very high	97.1	Very high	44 Å²	44	49 Å²	49	17%	0.166	24%	0.238	C	C	.	.			trans	-97.7	-17.6	179.1	-60.3	176.6	-174.1	164.7	-1	113.1	F129 L137 V142 H168 A171	F129-R173 HydrophobicContact CE1-CB 4.24Å; L137-R173 WeakPolarHBondContact O-CD 3.42Å; L137-R173 PolarHBondContact O-NE 3.25Å; L137-R173 VanDerWaalsContact O-NE 3.13Å; V142-R173 PolarHBondContact N-O 3.2Å; H168-R173 HydrophobicContact CB-CB 4.24Å; H168-R173 WeakPolarHBondContact O-CA 3.37Å; H168-R173 WeakPolarHBondContact O-CB 3.42Å; H168-R173 PolarHBondContact O-N 3.46Å; A171-R173 VanDerWaalsContact C-N 3.27Å; A171-R173 HydrophobicContact CB-CG 4.04Å; A171-R173 PolarHBondContact O-N 3.36Å
174	L	98.6	Very high	97	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.7	178.4	-178.1	59.6	0	0	0	110.2	I125 F129 V142 V144 I161 F165 H168 I169	I125-L174 HydrophobicContact CG2-CD2 4.23Å; F129-L174 HydrophobicContact CE2-CB 4.38Å; F129-L174 HydrophobicContact CE2-CD2 4.29Å; F129-L174 HydrophobicContact CZ-CB 4.02Å; F129-L174 HydrophobicContact CZ-CD1 4.46Å; V142-L174 HydrophobicContact CB-CD1 3.85Å; V142-L174 HydrophobicContact CG1-CD1 3.82Å; V142-L174 CarbonylContact O-C 3.58Å; V142-L174 WeakPolarHBondContact O-CA 3.37Å; V144-L174 HydrophobicContact CG2-CD1 3.89Å; I161-L174 HydrophobicContact CG2-CD2 3.61Å; F165-L174 HydrophobicContact CB-CD2 3.72Å; F165-L174 HydrophobicContact CD2-CD2 4.44Å; F165-L174 HydrophobicContact CG-CD2 4.29Å; H168-L174 HydrophobicContact CB-CB 4.06Å; H168-L174 PolarHBondContact O-N 3.01Å; I169-L174 HydrophobicContact CD1-CD2 4.48Å; I169-L174 HydrophobicContact CG1-CB 4.03Å; I169-L174 HydrophobicContact CG1-CD2 4Å; I169-L174 HydrophobicContact CG1-CG 4.17Å
175	L	98.4	Very high	96.9	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.7	173.6	-56.6	177.6	0	0	0	109.1	A96 T98 P99 V141 V142 V143 V144 F217 L221	A96-L175 WeakPolarHBondContact O-CA 3.48Å; T98-L175 VanDerWaalsContact C-CD2 3.4Å; T98-L175 WeakPolarHBondContact O-CD2 3.47Å; P99-L175 HydrophobicContact CB-CD1 4.41Å; P99-L175 HydrophobicContact CG-CD1 4.14Å; V141-L175 HydrophobicContact CG2-CD1 4.07Å; V141-L175 HydrophobicContact CG2-CG 4.19Å; V142-L175 PolarHBondContact O-N 3.26Å; V143-L175 WeakPolarHBondContact CA-O 3.03Å; V143-L175 HydrophobicContact CG2-CB 4.33Å; V143-L175 HydrophobicContact CG2-CD1 4.21Å; V144-L175 PolarHBondContact N-O 2.85Å; L175-F217 HydrophobicContact CD1-CE1 4.24Å; L175-F217 HydrophobicContact CD1-CZ 4.46Å; L175-L221 HydrophobicContact CD1-CD1 4.31Å
176	V	98.7	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.8	172.3	-171	0	0	0	0	108.2	L95 A96 V144 L146 V158 I161	L95-V176 HydrophobicContact CB-CB 4.28Å; L95-V176 HydrophobicContact CB-CG1 4.11Å; L95-V176 HydrophobicContact CD1-CG1 4.37Å; L95-V176 PolarHBondContact N-O 3.25Å; A96-V176 HydrophobicContact CB-CB 3.98Å; A96-V176 HydrophobicContact CB-CG2 3.94Å; A96-V176 PolarHBondContact N-O 2.71Å; A96-V176 PolarHBondContact O-N 3.13Å; V144-V176 HydrophobicContact CB-CG1 4.44Å; V144-V176 HydrophobicContact CB-CG2 4.37Å; V144-V176 WeakPolarHBondContact O-CA 3.31Å; L146-V176 HydrophobicContact CD1-CG1 3.72Å; L146-V176 HydrophobicContact CG-CG1 3.81Å; V158-V176 HydrophobicContact CG2-CG1 4.05Å; I161-V176 HydrophobicContact CD1-CG2 4.08Å; I161-V176 HydrophobicContact CG2-CG2 3.92Å
177	I	98.4	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	160.2	-177	65.9	173.1	0	0	0	111	Y92 R93 Y94 V143 V144 H145 L146 F217	Y92-I177 HydrophobicContact CD1-CD1 4.03Å; Y92-I177 HydrophobicContact CE1-CD1 4.34Å; R93-I177 CarbonylContact O-C 3.45Å; R93-I177 VanDerWaalsContact O-CA 3.28Å; R93-I177 WeakPolarHBondContact O-CA 3.39Å; Y94-I177 HydrophobicContact CD1-CG2 4.4Å; V143-I177 HydrophobicContact CG1-CD1 3.85Å; V143-I177 HydrophobicContact CG1-CG1 4.12Å; V144-I177 PolarHBondContact O-N 3.33Å; H145-I177 HydrophobicContact CB-CD1 4.41Å; H145-I177 HydrophobicContact CB-CG1 4.13Å; L146-I177 PolarHBondContact N-O 3.3Å; I177-F217 HydrophobicContact CD1-CB 3.84Å; I177-F217 HydrophobicContact CD1-CD1 3.65Å; I177-F217 HydrophobicContact CD1-CD2 3.85Å; I177-F217 HydrophobicContact CD1-CE1 4.11Å; I177-F217 HydrophobicContact CD1-CE2 4.3Å; I177-F217 HydrophobicContact CD1-CG 3.49Å; I177-F217 VanDerWaalsContact CD1-CG 3.49Å; I177-F217 HydrophobicContact CD1-CZ 4.42Å; I177-F217 HydrophobicContact CG2-CD2 4.37Å; I177-F217 HydrophobicContact CG2-CE1 3.97Å; I177-F217 HydrophobicContact CG2-CE2 3.77Å; I177-F217 HydrophobicContact CG2-CZ 3.54Å
178	Q	97.8	Very high	96.2	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.028	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	135.7	169.1	-178.6	-89.2	-5.3	0	0	109.8	R93 L95 L146	R93-Q178 HydrophobicContact CB-CB 4.5Å; R93-Q178 PolarHBondContact N-O 3.27Å; R93-Q178 PolarHBondContact O-N 3.18Å; L95-Q178 HydrophobicContact CD1-CB 3.7Å; L95-Q178 HydrophobicContact CG-CB 4.19Å; L146-Q178 WeakPolarHBondContact O-CG 3.33Å
179	A	96.9	Very high	95.8	Very high	1 Å²	1	44 Å²	44	1%	0.008	25%	0.251	C	S	.	.			trans	-93.1	122	169.4	0	0	0	0	0	109.1	V90 Y92 H145 Y184 F213	V90-A179 HydrophobicContact CG1-CB 4.3Å; Y92-A179 HydrophobicContact CD1-CB 4.33Å; Y92-A179 HydrophobicContact CE1-CB 4.29Å; H145-A179 WeakPolarHBondContact NE2-CB 3.43Å; H145-A179 PolarHBondContact NE2-N 3Å; A179-Y184 HydrophobicContact CB-CE2 4.19Å; A179-F213 HydrophobicContact CB-CB 4.27Å; A179-F213 HydrophobicContact CB-CD2 3.5Å; A179-F213 HydrophobicContact CB-CE2 4.22Å; A179-F213 HydrophobicContact CB-CG 4.27Å
180	P	96.1	Very high	95.5	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.026	25%	0.251	C	S	.	.			trans	-62.6	147	178.9	-23.1	34	0	0	0	113.5	T91 R93 E182 F183	T91-P180 VanDerWaalsContact O-CD 3.23Å; T91-P180 WeakPolarHBondContact O-CD 3.26Å; R93-P180 HydrophobicContact CG-CG 4.2Å; P180-E182 HydrophobicContact CB-CG 4.07Å; P180-E182 VanDerWaalsContact CB-OE1 3.25Å; P180-E182 WeakPolarHBondContact CB-OE1 3.44Å; P180-E182 WeakPolarHBondContact CB-OE2 3.24Å; P180-E182 PolarHBondContact O-N 2.56Å; P180-F183 HydrophobicContact CB-CD2 3.93Å; P180-F183 HydrophobicContact CB-CE2 4.22Å; P180-F183 HydrophobicContact CG-CD2 4.07Å; P180-F183 HydrophobicContact CG-CE2 4.05Å; P180-F183 PolarHBondContact O-N 3.11Å; P180-F183 VanDerWaalsContact O-N 3.12Å
181	E	95.9	Very high	95.1	Very high	104 Å²	104	41.8 Å²	41.8	49%	0.486	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-60.3	-30.3	-176.8	-177	171.8	-168.4	0	0	111.9	F149 F183 Y184	F149-E181 HydrophobicContact CD1-CB 3.95Å; F149-E181 HydrophobicContact CD1-CG 4.16Å; F149-E181 HydrophobicContact CD2-CG 4.1Å; F149-E181 WeakPolarHBondContact CD2-OE1 3.49Å; F149-E181 HydrophobicContact CE1-CB 3.94Å; F149-E181 HydrophobicContact CE1-CG 3.96Å; F149-E181 HydrophobicContact CE2-CG 3.89Å; F149-E181 WeakPolarHBondContact CE2-OE1 3.48Å; F149-E181 HydrophobicContact CG-CB 4.35Å; F149-E181 HydrophobicContact CG-CG 4.24Å; F149-E181 HydrophobicContact CZ-CB 4.32Å; F149-E181 HydrophobicContact CZ-CG 3.82Å; E181-F183 PolarHBondContact O-N 2.68Å; E181-F183 VanDerWaalsContact O-N 3.09Å; E181-Y184 WeakPolarHBondContact O-CB 3.35Å; E181-Y184 PolarHBondContact O-N 2.61Å
182	E	95.7	Very high	94.6	Very high	137 Å²	137	46.1 Å²	46.1	64%	0.64	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-61.3	-19	178	61.9	-95.6	-145.4	0	0	114.5	P180	P180-E182 HydrophobicContact CB-CG 4.07Å; P180-E182 VanDerWaalsContact CB-OE1 3.25Å; P180-E182 WeakPolarHBondContact CB-OE1 3.44Å; P180-E182 WeakPolarHBondContact CB-OE2 3.24Å; P180-E182 PolarHBondContact O-N 2.56Å
183	F	96	Very high	94.1	Very high	67 Å²	67	49.5 Å²	49.5	29%	0.294	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-87.4	-14.5	174.8	-68.1	-81.3	0	0	0	112.9	V90 P180 E181 F213	V90-F183 HydrophobicContact CB-CD1 4.42Å; V90-F183 HydrophobicContact CG1-CB 4.21Å; V90-F183 HydrophobicContact CG1-CD1 4.34Å; V90-F183 HydrophobicContact CG1-CD2 4.24Å; V90-F183 HydrophobicContact CG1-CG 4.01Å; V90-F183 HydrophobicContact CG2-CB 4.45Å; V90-F183 HydrophobicContact CG2-CD1 4.42Å; P180-F183 HydrophobicContact CB-CD2 3.93Å; P180-F183 HydrophobicContact CB-CE2 4.22Å; P180-F183 HydrophobicContact CG-CD2 4.07Å; P180-F183 HydrophobicContact CG-CE2 4.05Å; P180-F183 PolarHBondContact O-N 3.11Å; P180-F183 VanDerWaalsContact O-N 3.12Å; E181-F183 PolarHBondContact O-N 2.68Å; E181-F183 VanDerWaalsContact O-N 3.09Å; F183-F213 HydrophobicContact CB-CE2 4.16Å; F183-F213 HydrophobicContact CB-CZ 4.16Å; F183-F213 WeakPolarHBondContact O-CZ 3.47Å
184	Y	96.5	Very high	93.5	Very high	22 Å²	22	51.5 Å²	51.5	9%	0.086	27%	0.268	C	S	.	.	S	Bend	trans	-71.5	138.8	179.8	-79.7	-111.3	0	0	0	110.6	F149 A179 E181 L187 K206 V209 D210 F213	F149-Y184 HydrophobicContact CE1-CD1 4.3Å; F149-Y184 AromaticContact CE1-CD2 3.86Å; F149-Y184 HydrophobicContact CE1-CD2 3.86Å; F149-Y184 HydrophobicContact CE1-CE1 4.18Å; F149-Y184 AromaticContact CE1-CE2 3.75Å; F149-Y184 HydrophobicContact CE1-CE2 3.75Å; F149-Y184 HydrophobicContact CE1-CG 4.16Å; F149-Y184 AromaticContact CE1-CZ 3.92Å; F149-Y184 AromaticContact CZ-CD1 3.85Å; F149-Y184 HydrophobicContact CZ-CD1 3.85Å; F149-Y184 HydrophobicContact CZ-CD2 4.06Å; F149-Y184 HydrophobicContact CZ-CE1 4.05Å; F149-Y184 HydrophobicContact CZ-CE2 4.26Å; F149-Y184 AromaticContact CZ-CG 3.87Å; F149-Y184 HydrophobicContact CZ-CG 3.87Å; A179-Y184 HydrophobicContact CB-CE2 4.19Å; E181-Y184 WeakPolarHBondContact O-CB 3.35Å; E181-Y184 PolarHBondContact O-N 2.61Å; Y184-L187 HydrophobicContact CD1-CD1 4.47Å; Y184-K206 HydrophobicContact CD1-CG 4.42Å; Y184-K206 HydrophobicContact CE1-CG 4.01Å; Y184-V209 HydrophobicContact CD1-CB 3.87Å; Y184-V209 HydrophobicContact CD1-CG1 3.45Å; Y184-V209 VanDerWaalsContact CD1-CG1 3.45Å; Y184-V209 HydrophobicContact CE1-CB 3.8Å; Y184-V209 HydrophobicContact CE1-CG1 3.52Å; Y184-V209 HydrophobicContact CG-CG1 4.06Å; Y184-D210 WeakPolarHBondContact CE1-OD1 3.45Å; Y184-D210 VanDerWaalsContact CZ-OD1 3.26Å; Y184-D210 PolarHBondContact OH-OD1 3.17Å; Y184-F213 HydrophobicContact CD2-CD2 4.33Å; Y184-F213 AromaticContact CD2-CE2 3.65Å; Y184-F213 HydrophobicContact CD2-CE2 3.65Å; Y184-F213 HydrophobicContact CE1-CE2 4.48Å; Y184-F213 AromaticContact CE2-CD2 3.78Å; Y184-F213 HydrophobicContact CE2-CD2 3.78Å; Y184-F213 AromaticContact CE2-CE2 3.57Å; Y184-F213 HydrophobicContact CE2-CE2 3.57Å; Y184-F213 HydrophobicContact CG-CE2 4.13Å; Y184-F213 AromaticContact CZ-CD2 3.94Å
185	P	95.2	Very high	92.7	Very high	38 Å²	38	58.5 Å²	58.5	25%	0.247	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-67.4	164.1	168.8	33.7	-36.5	0	0	0	110	L187 V209 L282 Y285	P185-L187 PolarHBondContact O-N 3.01Å; P185-L187 VanDerWaalsContact O-N 3.15Å; P185-V209 HydrophobicContact CG-CG2 3.79Å; P185-L282 HydrophobicContact CG-CD1 4.07Å; P185-Y285 HydrophobicContact CB-CE1 4.04Å; P185-Y285 HydrophobicContact CB-CE2 4.26Å; P185-Y285 HydrophobicContact CG-CD1 4.33Å; P185-Y285 HydrophobicContact CG-CD2 4.09Å; P185-Y285 HydrophobicContact CG-CE1 3.89Å; P185-Y285 HydrophobicContact CG-CE2 3.69Å; P185-Y285 HydrophobicContact CG-CG 4.4Å
186	S	93.9	Very high	92.1	Very high	73 Å²	73	59.3 Å²	59.3	51%	0.51	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-51.6	125.3	179.2	-178.6	0	0	0	0	111.3	D188 Y285	S186-D188 PolarHBondContact OG-N 3.09Å; S186-D188 PolarHBondContact OG-O 2.68Å; S186-Y285 WeakPolarHBondContact O-CE2 3.44Å; S186-Y285 PolarHBondContact O-OH 3.42Å
187	L	94.1	Very high	91.6	Very high	15 Å²	15	62.4 Å²	62.4	8%	0.079	33%	0.33	C	S	.	.			trans	-98.3	3.6	172.8	-63.9	178.3	0	0	0	112.2	F149 Y184 P185 L190 R202 K206 Y285	F149-L187 HydrophobicContact CE2-CD1 4.07Å; F149-L187 HydrophobicContact CZ-CD1 4.23Å; Y184-L187 HydrophobicContact CD1-CD1 4.47Å; P185-L187 PolarHBondContact O-N 3.01Å; P185-L187 VanDerWaalsContact O-N 3.15Å; L187-L190 VanDerWaalsContact O-CD1 3.26Å; L187-L190 WeakPolarHBondContact O-CD1 3.39Å; L187-L190 WeakPolarHBondContact O-CG 3.46Å; L187-R202 HydrophobicContact CB-CG 4.22Å; L187-K206 HydrophobicContact CD1-CB 3.97Å; L187-K206 HydrophobicContact CD1-CD 4.21Å; L187-K206 HydrophobicContact CD1-CG 3.92Å; L187-K206 HydrophobicContact CD2-CB 4.11Å; L187-Y285 HydrophobicContact CD2-CE2 4.21Å
188	D	90.8	Very high	91.2	Very high	111 Å²	111	68.9 Å²	68.9	59%	0.594	36%	0.36	S	S	*	.	S	Bend	trans	-99.9	151.2	174.1	-58.2	-45.7	0	0	0	110.6	S186 L190	S186-D188 PolarHBondContact OG-N 3.09Å; S186-D188 PolarHBondContact OG-O 2.68Å; D188-L190 VanDerWaalsContact C-N 3.27Å; D188-L190 PolarHBondContact O-N 3.18Å
189	G	87.9	Confident	90.9	Very high	76 Å²	76	72.1 Å²	72.1	78%	0.784	38%	0.377	S	S	*	.	S	Bend	trans	67.4	24.9	177.4	0	0	0	0	0	114.5
190	L	91.6	Very high	90.5	Very high	22 Å²	22	77.9 Å²	77.9	12%	0.115	40%	0.399	C	S	.	.			trans	-64.9	147.4	-176.1	-63.8	169.8	0	0	0	113	L187 D188 V201 R202 Y285 Q286	L187-L190 VanDerWaalsContact O-CD1 3.26Å; L187-L190 WeakPolarHBondContact O-CD1 3.39Å; L187-L190 WeakPolarHBondContact O-CG 3.46Å; D188-L190 VanDerWaalsContact C-N 3.27Å; D188-L190 PolarHBondContact O-N 3.18Å; L190-V201 HydrophobicContact CB-CG1 3.55Å; L190-V201 HydrophobicContact CD1-CG1 3.98Å; L190-V201 HydrophobicContact CG-CG1 4.43Å; L190-R202 HydrophobicContact CD1-CB 4.21Å; L190-Y285 HydrophobicContact CD2-CE2 3.87Å; L190-Q286 HydrophobicContact CD2-CB 4.29Å; L190-Q286 HydrophobicContact CD2-CG 3.68Å
191	K	88	Confident	90.3	Very high	103 Å²	103	77.9 Å²	77.9	45%	0.448	40%	0.399	S	S	.	.			trans	-62.3	136.1	176	-64.1	-179.3	-176.8	175.4	0	112.2	V201 R204 E287	K191-V201 WeakPolarHBondContact O-CG1 3.33Å; K191-R204 PolarHBondContact O-NH2 2.87Å; K191-E287 WeakPolarHBondContact CD-OE1 3.35Å; K191-E287 WeakPolarHBondContact CD-OE2 3.47Å; K191-E287 WeakPolarHBondContact CE-OE1 3.41Å; K191-E287 IonicContact NZ-OE1 3.39Å; K191-E287 PolarHBondContact NZ-OE1 3.27Å; K191-E287 IonicContact NZ-OE2 2.67Å
192	R	85	Confident	90.2	Very high	137 Å²	137	78.4 Å²	78.4	52%	0.517	40%	0.396	S	S	.	.			trans	-105.8	56.5	-178.4	-59.3	-174.2	76.1	-178	1.5	112.1	Y194 N195 D196	R192-Y194 PolarHBondContact O-N 3.09Å; R192-Y194 VanDerWaalsContact O-N 3.14Å; R192-N195 PolarHBondContact O-N 3.05Å; R192-D196 PolarHBondContact NE-O 3.27Å; R192-D196 PolarHBondContact NH2-O 3.23Å
193	N	84.3	Confident	90.1	Very high	78 Å²	78	74.6 Å²	74.6	42%	0.417	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.9	-173.7	-63.4	-19	0	0	0	114.6	E287	N193-E287 WeakPolarHBondContact ND2-CA 3.39Å; N193-E287 PolarHBondContact ND2-O 3.24Å; N193-E287 PolarHBondContact ND2-OE2 2.9Å
194	Y	83.6	Confident	89.9	Confident	85 Å²	85	71.8 Å²	71.8	33%	0.333	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	15.2	-174.6	-55.6	-66.9	0	0	0	114.3	R192 D196 E287 M288 W292	R192-Y194 PolarHBondContact O-N 3.09Å; R192-Y194 VanDerWaalsContact O-N 3.14Å; Y194-D196 PolarHBondContact O-N 2.81Å; Y194-E287 VanDerWaalsContact CE2-O 3.3Å; Y194-E287 WeakPolarHBondContact CE2-O 3.41Å; Y194-M288 HydrophobicContact CE2-CG 4.37Å; Y194-M288 WeakPolarHBondContact OH-CE 3.33Å; Y194-M288 WeakPolarHBondContact OH-CG 3.5Å; Y194-W292 HydrophobicContact CD1-CZ3 4.29Å; Y194-W292 HydrophobicContact CE1-CH2 4.44Å; Y194-W292 AromaticContact CE1-CZ3 3.68Å; Y194-W292 HydrophobicContact CE1-CZ3 3.68Å; Y194-W292 HydrophobicContact CE2-CZ3 4.27Å; Y194-W292 AromaticContact CZ-CZ3 3.67Å
195	N	82.6	Confident	89.9	Confident	147 Å²	147	70.8 Å²	70.8	79%	0.786	36%	0.361	S	S	*	.			trans	53.9	22.3	-173.9	-77	-15.7	0	0	0	114.9	R192	R192-N195 PolarHBondContact O-N 3.05Å
196	D	84.7	Confident	90	Very high	19 Å²	19	70.3 Å²	70.3	10%	0.102	36%	0.355	C	S	.	.			trans	-62.6	149.8	172.9	-80.7	-41.1	0	0	0	111.4	R192 Y194 R200 V201 R204	R192-D196 PolarHBondContact NE-O 3.27Å; R192-D196 PolarHBondContact NH2-O 3.23Å; Y194-D196 PolarHBondContact O-N 2.81Å; D196-R200 HydrophobicContact CB-CB 4.25Å; D196-R200 HydrophobicContact CB-CG 4.44Å; D196-R200 WeakPolarHBondContact OD1-CD 3.09Å; D196-R200 IonicContact OD1-CZ 3.01Å; D196-R200 IonicContact OD1-NE 3.37Å; D196-R200 IonicContact OD1-NH1 3.42Å; D196-R200 PolarHBondContact OD1-NH1 3.42Å; D196-V201 HydrophobicContact CB-CG2 3.65Å; D196-R204 IonicContact OD2-NE 2.61Å
197	P	89.6	Confident	90.1	Very high	65 Å²	65	68 Å²	68	42%	0.422	34%	0.336	S	S	.	.			trans	-53.8	145.3	166.5	-26.1	36.3	0	0	0	111.5	D199 R200 V201	P197-D199 VanDerWaalsContact C-N 3.25Å; P197-D199 VanDerWaalsContact CB-OD1 3.27Å; P197-D199 WeakPolarHBondContact CB-OD1 3.23Å; P197-D199 PolarHBondContact O-N 3.47Å; P197-R200 HydrophobicContact CB-CB 4.49Å; P197-R200 WeakPolarHBondContact O-CA 3.44Å; P197-R200 WeakPolarHBondContact O-CB 3.39Å; P197-R200 PolarHBondContact O-N 3.14Å; P197-V201 PolarHBondContact O-N 3.37Å
198	E	89.9	Confident	90.2	Very high	137 Å²	137	67.3 Å²	67.3	64%	0.64	33%	0.333	S	S	*	.	H	α-helix	trans	-55	-40.7	-176.1	-175.9	177.4	177.1	0	0	112.7	R200 V201 R202	E198-R200 VanDerWaalsContact C-N 3.32Å; E198-R200 PolarHBondContact O-N 2.8Å; E198-V201 PolarHBondContact O-N 2.91Å; E198-R202 WeakPolarHBondContact O-CB 3.37Å; E198-R202 PolarHBondContact O-N 2.81Å
199	D	90.3	Very high	90.5	Very high	73 Å²	73	62 Å²	62	39%	0.39	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-32.2	177.7	65.6	-10	0	0	0	113.2	P197 F203 Y323 K324	P197-D199 VanDerWaalsContact C-N 3.25Å; P197-D199 VanDerWaalsContact CB-OD1 3.27Å; P197-D199 WeakPolarHBondContact CB-OD1 3.23Å; P197-D199 PolarHBondContact O-N 3.47Å; D199-F203 VanDerWaalsContact O-CB 3.27Å; D199-F203 WeakPolarHBondContact O-CB 3.33Å; D199-F203 PolarHBondContact O-N 3.5Å; D199-Y323 VanDerWaalsContact CG-OH 3.29Å; D199-Y323 PolarHBondContact OD1-OH 3.46Å; D199-Y323 PolarHBondContact OD2-OH 3.25Å; D199-K324 IonicContact OD1-NZ 2.81Å; D199-K324 PolarHBondContact OD1-NZ 2.99Å; D199-K324 WeakPolarHBondContact OD2-CE 3.24Å; D199-K324 IonicContact OD2-NZ 2.68Å; D199-K324 PolarHBondContact OD2-NZ 2.63Å
200	R	89.2	Confident	91	Very high	123 Å²	123	58.7 Å²	58.7	46%	0.464	27%	0.269	S	S	.	.	H	α-helix	trans	-71.2	-42	173.6	-169.1	173.7	179.5	-162	6.9	111	D196 P197 E198 F203 R204 Y323	D196-R200 HydrophobicContact CB-CB 4.25Å; D196-R200 HydrophobicContact CB-CG 4.44Å; D196-R200 WeakPolarHBondContact OD1-CD 3.09Å; D196-R200 IonicContact OD1-CZ 3.01Å; D196-R200 IonicContact OD1-NE 3.37Å; D196-R200 IonicContact OD1-NH1 3.42Å; D196-R200 PolarHBondContact OD1-NH1 3.42Å; P197-R200 HydrophobicContact CB-CB 4.49Å; P197-R200 WeakPolarHBondContact O-CA 3.44Å; P197-R200 WeakPolarHBondContact O-CB 3.39Å; P197-R200 PolarHBondContact O-N 3.14Å; E198-R200 VanDerWaalsContact C-N 3.32Å; E198-R200 PolarHBondContact O-N 2.8Å; R200-F203 PolarHBondContact O-N 2.85Å; R200-R204 WeakPolarHBondContact O-CG 3.21Å; R200-R204 PolarHBondContact O-N 2.83Å; R200-Y323 HydrophobicContact CB-CE1 4.37Å; R200-Y323 HydrophobicContact CB-CE2 4.1Å; R200-Y323 WeakPolarHBondContact CB-OH 3.37Å; R200-Y323 HydrophobicContact CG-CE1 4.29Å; R200-Y323 HydrophobicContact CG-CE2 4.46Å; R200-Y323 PolarHBondContact N-OH 3.13Å
201	V	92.1	Very high	91.3	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-49	175.4	177	0	0	0	0	109.9	L190 K191 D196 P197 E198 F203 R204 S205	L190-V201 HydrophobicContact CB-CG1 3.55Å; L190-V201 HydrophobicContact CD1-CG1 3.98Å; L190-V201 HydrophobicContact CG-CG1 4.43Å; K191-V201 WeakPolarHBondContact O-CG1 3.33Å; D196-V201 HydrophobicContact CB-CG2 3.65Å; P197-V201 PolarHBondContact O-N 3.37Å; E198-V201 PolarHBondContact O-N 2.91Å; V201-F203 VanDerWaalsContact C-N 3.33Å; V201-F203 PolarHBondContact O-N 3.49Å; V201-R204 VanDerWaalsContact O-CG 3.28Å; V201-R204 WeakPolarHBondContact O-CG 3.33Å; V201-R204 PolarHBondContact O-N 3.47Å; V201-S205 VanDerWaalsContact O-CB 3.26Å; V201-S205 WeakPolarHBondContact O-CB 3.17Å; V201-S205 PolarHBondContact O-N 2.86Å; V201-S205 PolarHBondContact O-OG 3.15Å; V201-S205 VanDerWaalsContact O-OG 3.14Å
202	R	94.1	Very high	91.8	Very high	116 Å²	116	52.9 Å²	52.9	44%	0.438	24%	0.243	S	C	.	.	H	α-helix	trans	-57.5	-45.5	175.4	-170.1	176.2	178.7	-170.3	0.6	112.1	L187 L190 E198 S205 K206	L187-R202 HydrophobicContact CB-CG 4.22Å; L190-R202 HydrophobicContact CD1-CB 4.21Å; E198-R202 WeakPolarHBondContact O-CB 3.37Å; E198-R202 PolarHBondContact O-N 2.81Å; R202-S205 PolarHBondContact O-N 2.95Å; R202-K206 VanDerWaalsContact O-CB 3.29Å; R202-K206 WeakPolarHBondContact O-CB 3.36Å; R202-K206 PolarHBondContact O-N 2.75Å
203	F	92.8	Very high	92.4	Very high	57 Å²	57	46.5 Å²	46.5	25%	0.25	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-53.8	178.7	-178.5	-91.6	0	0	0	112.4	D199 R200 V201 S205 K206 Q207 S322 Y323	D199-F203 VanDerWaalsContact O-CB 3.27Å; D199-F203 WeakPolarHBondContact O-CB 3.33Å; D199-F203 PolarHBondContact O-N 3.5Å; R200-F203 PolarHBondContact O-N 2.85Å; V201-F203 VanDerWaalsContact C-N 3.33Å; V201-F203 PolarHBondContact O-N 3.49Å; F203-S205 VanDerWaalsContact C-N 3.3Å; F203-S205 PolarHBondContact O-N 3.14Å; F203-K206 PolarHBondContact O-N 3.48Å; F203-Q207 WeakPolarHBondContact O-CB 3.28Å; F203-Q207 PolarHBondContact O-N 3.5Å; F203-S322 WeakPolarHBondContact CZ-OG 3.39Å; F203-Y323 HydrophobicContact CB-CD2 3.82Å; F203-Y323 HydrophobicContact CB-CE2 4.14Å; F203-Y323 HydrophobicContact CD1-CD2 4.03Å; F203-Y323 HydrophobicContact CD1-CG 4.35Å; F203-Y323 HydrophobicContact CD2-CD2 4.04Å; F203-Y323 AromaticContact CG-CD2 3.68Å; F203-Y323 HydrophobicContact CG-CD2 3.68Å; F203-Y323 HydrophobicContact CG-CE2 4.48Å; F203-Y323 HydrophobicContact CG-CG 4.41Å
204	R	92.7	Very high	93.1	Very high	8 Å²	8	42.8 Å²	42.8	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-35.6	-179.4	70	177.2	178.9	76.9	2.8	112.3	K191 D196 R200 V201 Q207 N208 Q286 P289	K191-R204 PolarHBondContact O-NH2 2.87Å; D196-R204 IonicContact OD2-NE 2.61Å; R200-R204 WeakPolarHBondContact O-CG 3.21Å; R200-R204 PolarHBondContact O-N 2.83Å; V201-R204 VanDerWaalsContact O-CG 3.28Å; V201-R204 WeakPolarHBondContact O-CG 3.33Å; V201-R204 PolarHBondContact O-N 3.47Å; R204-Q207 PolarHBondContact O-N 3.26Å; R204-N208 PolarHBondContact O-N 3.1Å; R204-N208 VanDerWaalsContact O-N 3.17Å; R204-N208 PolarHBondContact O-ND2 3.03Å; R204-Q286 PolarHBondContact NH1-O 3Å; R204-Q286 VanDerWaalsContact NH1-O 3.13Å; R204-Q286 PolarHBondContact NH2-O 3.23Å; R204-P289 HydrophobicContact CB-CB 4.48Å
205	S	95.4	Very high	93.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-71.4	-41.5	179.1	-71.1	0	0	0	0	112.2	V201 R202 F203 Q207 N208 V209 Y285	V201-S205 VanDerWaalsContact O-CB 3.26Å; V201-S205 WeakPolarHBondContact O-CB 3.17Å; V201-S205 PolarHBondContact O-N 2.86Å; V201-S205 PolarHBondContact O-OG 3.15Å; V201-S205 VanDerWaalsContact O-OG 3.14Å; R202-S205 PolarHBondContact O-N 2.95Å; F203-S205 VanDerWaalsContact C-N 3.3Å; F203-S205 PolarHBondContact O-N 3.14Å; S205-Q207 VanDerWaalsContact C-N 3.33Å; S205-N208 WeakPolarHBondContact O-CB 3.14Å; S205-N208 PolarHBondContact O-N 2.84Å; S205-V209 PolarHBondContact O-N 2.92Å; S205-Y285 WeakPolarHBondContact CA-O 3.48Å; S205-Y285 WeakPolarHBondContact CB-O 3.48Å; S205-Y285 PolarHBondContact OG-O 3.25Å
206	K	97	Very high	94.4	Very high	28 Å²	28	32.2 Å²	32.2	12%	0.122	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-43.5	171.8	-174.2	-173.6	171.6	-58.6	0	111.1	A147 F149 Y184 L187 R202 F203 N208 V209 D210	A147-K206 WeakPolarHBondContact O-CE 3.38Å; A147-K206 PolarHBondContact O-NZ 3.42Å; F149-K206 HydrophobicContact CE2-CD 4.28Å; F149-K206 HydrophobicContact CZ-CD 4.27Å; Y184-K206 HydrophobicContact CD1-CG 4.42Å; Y184-K206 HydrophobicContact CE1-CG 4.01Å; L187-K206 HydrophobicContact CD1-CB 3.97Å; L187-K206 HydrophobicContact CD1-CD 4.21Å; L187-K206 HydrophobicContact CD1-CG 3.92Å; L187-K206 HydrophobicContact CD2-CB 4.11Å; R202-K206 VanDerWaalsContact O-CB 3.29Å; R202-K206 WeakPolarHBondContact O-CB 3.36Å; R202-K206 PolarHBondContact O-N 2.75Å; F203-K206 PolarHBondContact O-N 3.48Å; K206-N208 VanDerWaalsContact C-N 3.29Å; K206-N208 PolarHBondContact O-N 2.83Å; K206-V209 CarbonylContact O-C 3.53Å; K206-V209 WeakPolarHBondContact O-CA 3.43Å; K206-V209 WeakPolarHBondContact O-CB 3.44Å; K206-V209 PolarHBondContact O-N 3.2Å; K206-D210 IonicContact NZ-OD1 2.66Å; K206-D210 PolarHBondContact NZ-OD1 2.93Å; K206-D210 IonicContact NZ-OD2 3.44Å; K206-D210 PolarHBondContact NZ-OD2 2.8Å; K206-D210 PolarHBondContact O-N 2.81Å
207	Q	95.7	Very high	95	Very high	25 Å²	25	32.3 Å²	32.3	12%	0.117	15%	0.147	C	C	.	.	H	α-helix	trans	-58.3	-38.8	179.1	-170.6	-179	45.5	0	0	112.8	F203 R204 S205 V209 D210 Y211 Y264	F203-Q207 WeakPolarHBondContact O-CB 3.28Å; F203-Q207 PolarHBondContact O-N 3.5Å; R204-Q207 PolarHBondContact O-N 3.26Å; S205-Q207 VanDerWaalsContact C-N 3.33Å; Q207-V209 VanDerWaalsContact C-N 3.33Å; Q207-V209 PolarHBondContact O-N 2.82Å; Q207-D210 PolarHBondContact O-N 3.13Å; Q207-Y211 HydrophobicContact CG-CD2 3.95Å; Q207-Y211 HydrophobicContact CG-CE2 3.8Å; Q207-Y211 WeakPolarHBondContact O-CD2 3.47Å; Q207-Y211 PolarHBondContact O-N 2.89Å; Q207-Y264 PolarHBondContact NE2-OH 3.11Å
208	N	97	Very high	95.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-58.8	-44.2	172.7	-74.4	-29.7	0	0	0	112.1	R204 S205 K206 A212 Y285 M288 C290	R204-N208 PolarHBondContact O-N 3.1Å; R204-N208 VanDerWaalsContact O-N 3.17Å; R204-N208 PolarHBondContact O-ND2 3.03Å; S205-N208 WeakPolarHBondContact O-CB 3.14Å; S205-N208 PolarHBondContact O-N 2.84Å; K206-N208 VanDerWaalsContact C-N 3.29Å; K206-N208 PolarHBondContact O-N 2.83Å; N208-A212 WeakPolarHBondContact O-CB 3.42Å; N208-A212 PolarHBondContact O-N 2.86Å; N208-Y285 WeakPolarHBondContact ND2-CA 3.46Å; N208-Y285 PolarHBondContact ND2-O 2.84Å; N208-Y285 VanDerWaalsContact ND2-O 3.1Å; N208-M288 PolarHBondContact ND2-O 2.93Å; N208-C290 WeakPolarHBondContact OD1-CA 3.44Å; N208-C290 WeakPolarHBondContact OD1-CB 3.37Å; N208-C290 PolarHBondContact OD1-N 2.89Å
209	V	98	Very high	95.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.5	-41.7	177.7	-175.6	0	0	0	0	110.9	Y184 P185 S205 K206 Q207 Y211 A212 F213 L282 Y285	Y184-V209 HydrophobicContact CD1-CB 3.87Å; Y184-V209 HydrophobicContact CD1-CG1 3.45Å; Y184-V209 VanDerWaalsContact CD1-CG1 3.45Å; Y184-V209 HydrophobicContact CE1-CB 3.8Å; Y184-V209 HydrophobicContact CE1-CG1 3.52Å; Y184-V209 HydrophobicContact CG-CG1 4.06Å; P185-V209 HydrophobicContact CG-CG2 3.79Å; S205-V209 PolarHBondContact O-N 2.92Å; K206-V209 CarbonylContact O-C 3.53Å; K206-V209 WeakPolarHBondContact O-CA 3.43Å; K206-V209 WeakPolarHBondContact O-CB 3.44Å; K206-V209 PolarHBondContact O-N 3.2Å; Q207-V209 VanDerWaalsContact C-N 3.33Å; Q207-V209 PolarHBondContact O-N 2.82Å; V209-Y211 VanDerWaalsContact C-N 3.29Å; V209-Y211 PolarHBondContact O-N 2.88Å; V209-A212 WeakPolarHBondContact O-CB 3.36Å; V209-A212 PolarHBondContact O-N 2.69Å; V209-A212 VanDerWaalsContact O-N 3.15Å; V209-F213 HydrophobicContact CG1-CD1 4.33Å; V209-F213 HydrophobicContact CG1-CD2 3.94Å; V209-F213 HydrophobicContact CG1-CE1 3.96Å; V209-F213 HydrophobicContact CG1-CE2 3.55Å; V209-F213 HydrophobicContact CG1-CG 4.33Å; V209-F213 HydrophobicContact CG1-CZ 3.56Å; V209-F213 WeakPolarHBondContact O-CG 3.48Å; V209-F213 PolarHBondContact O-N 3.45Å; V209-L282 HydrophobicContact CG1-CD1 4.26Å; V209-L282 HydrophobicContact CG2-CD1 4.1Å; V209-Y285 HydrophobicContact CG2-CD2 3.77Å; V209-Y285 HydrophobicContact CG2-CG 4.01Å
210	D	97.9	Very high	95.7	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.032	11%	0.113	C	C	.	.	H	α-helix	trans	-56	-45.3	177.7	-62	-23.5	0	0	0	111.3	H145 A147 Y184 K206 Q207 L214	H145-D210 PolarHBondContact ND1-O 2.77Å; H145-D210 VanDerWaalsContact ND1-O 3.12Å; A147-D210 HydrophobicContact CB-CB 3.91Å; Y184-D210 WeakPolarHBondContact CE1-OD1 3.45Å; Y184-D210 VanDerWaalsContact CZ-OD1 3.26Å; Y184-D210 PolarHBondContact OH-OD1 3.17Å; K206-D210 IonicContact NZ-OD1 2.66Å; K206-D210 PolarHBondContact NZ-OD1 2.93Å; K206-D210 IonicContact NZ-OD2 3.44Å; K206-D210 PolarHBondContact NZ-OD2 2.8Å; K206-D210 PolarHBondContact O-N 2.81Å; Q207-D210 PolarHBondContact O-N 3.13Å; D210-L214 WeakPolarHBondContact O-CB 3.42Å; D210-L214 PolarHBondContact O-N 2.79Å; D210-L214 VanDerWaalsContact O-N 3.1Å
211	Y	97.4	Very high	96	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-71.9	-40	175.7	-80.4	-60.9	0	0	0	112.8	Q207 V209 F213 L214 L215 M227 Y264	Q207-Y211 HydrophobicContact CG-CD2 3.95Å; Q207-Y211 HydrophobicContact CG-CE2 3.8Å; Q207-Y211 WeakPolarHBondContact O-CD2 3.47Å; Q207-Y211 PolarHBondContact O-N 2.89Å; V209-Y211 VanDerWaalsContact C-N 3.29Å; V209-Y211 PolarHBondContact O-N 2.88Å; Y211-F213 VanDerWaalsContact C-N 3.27Å; Y211-F213 PolarHBondContact O-N 3.38Å; Y211-L214 HydrophobicContact CD1-CD2 4.31Å; Y211-L214 HydrophobicContact CE1-CD2 4.46Å; Y211-L214 PolarHBondContact O-N 2.77Å; Y211-L215 WeakPolarHBondContact O-CB 3.18Å; Y211-L215 WeakPolarHBondContact O-CD1 3.42Å; Y211-L215 WeakPolarHBondContact O-CG 3.36Å; Y211-L215 PolarHBondContact O-N 3.15Å; Y211-M227 HydrophobicContact CD1-CE 4.16Å; Y211-M227 HydrophobicContact CD1-CG 4.29Å; Y211-M227 HydrophobicContact CD1-SD 4.11Å; Y211-M227 HydrophobicContact CE1-CG 4.02Å; Y211-M227 HydrophobicContact CE1-SD 4.23Å; Y211-Y264 AromaticContact CE2-CD2 3.96Å; Y211-Y264 HydrophobicContact CE2-CD2 3.96Å; Y211-Y264 AromaticContact CE2-CE2 3.78Å; Y211-Y264 HydrophobicContact CE2-CE2 3.78Å; Y211-Y264 HydrophobicContact CE2-CG 4.44Å; Y211-Y264 AromaticContact CZ-CD2 3.69Å; Y211-Y264 AromaticContact CZ-CE2 3.64Å; Y211-Y264 VanDerWaalsContact OH-CD2 3.26Å; Y211-Y264 WeakPolarHBondContact OH-CD2 3.3Å; Y211-Y264 WeakPolarHBondContact OH-CE2 3.06Å
212	A	97.8	Very high	96.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56.1	-44.6	175.3	0	0	0	0	0	111.2	N208 V209 N216 A278 L281 L282	N208-A212 WeakPolarHBondContact O-CB 3.42Å; N208-A212 PolarHBondContact O-N 2.86Å; V209-A212 WeakPolarHBondContact O-CB 3.36Å; V209-A212 PolarHBondContact O-N 2.69Å; V209-A212 VanDerWaalsContact O-N 3.15Å; A212-N216 VanDerWaalsContact O-CB 3.28Å; A212-N216 WeakPolarHBondContact O-CB 3.5Å; A212-N216 PolarHBondContact O-N 2.96Å; A212-A278 WeakPolarHBondContact CB-O 3.39Å; A212-A278 WeakPolarHBondContact O-CB 3.42Å; A212-L281 HydrophobicContact CB-CB 4.12Å; A212-L282 HydrophobicContact CB-CB 4.08Å
213	F	98.3	Very high	96.4	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.013	10%	0.099	C	C	.	.	H	α-helix	trans	-69.8	-39.3	178.7	-69.8	-7.6	0	0	0	112.9	I88 V90 Y92 A179 F183 Y184 V209 Y211 N216 F217	I88-F213 HydrophobicContact CG2-CE1 4.37Å; V90-F213 HydrophobicContact CG2-CD1 3.86Å; V90-F213 HydrophobicContact CG2-CE1 3.65Å; V90-F213 HydrophobicContact CG2-CG 4.44Å; V90-F213 HydrophobicContact CG2-CZ 4.03Å; Y92-F213 HydrophobicContact CE1-CB 4.2Å; Y92-F213 WeakPolarHBondContact CE1-O 3.14Å; Y92-F213 PolarHBondContact OH-O 3.25Å; A179-F213 HydrophobicContact CB-CB 4.27Å; A179-F213 HydrophobicContact CB-CD2 3.5Å; A179-F213 HydrophobicContact CB-CE2 4.22Å; A179-F213 HydrophobicContact CB-CG 4.27Å; F183-F213 HydrophobicContact CB-CE2 4.16Å; F183-F213 HydrophobicContact CB-CZ 4.16Å; F183-F213 WeakPolarHBondContact O-CZ 3.47Å; Y184-F213 HydrophobicContact CD2-CD2 4.33Å; Y184-F213 AromaticContact CD2-CE2 3.65Å; Y184-F213 HydrophobicContact CD2-CE2 3.65Å; Y184-F213 HydrophobicContact CE1-CE2 4.48Å; Y184-F213 AromaticContact CE2-CD2 3.78Å; Y184-F213 HydrophobicContact CE2-CD2 3.78Å; Y184-F213 AromaticContact CE2-CE2 3.57Å; Y184-F213 HydrophobicContact CE2-CE2 3.57Å; Y184-F213 HydrophobicContact CG-CE2 4.13Å; Y184-F213 AromaticContact CZ-CD2 3.94Å; V209-F213 HydrophobicContact CG1-CD1 4.33Å; V209-F213 HydrophobicContact CG1-CD2 3.94Å; V209-F213 HydrophobicContact CG1-CE1 3.96Å; V209-F213 HydrophobicContact CG1-CE2 3.55Å; V209-F213 HydrophobicContact CG1-CG 4.33Å; V209-F213 HydrophobicContact CG1-CZ 3.56Å; V209-F213 WeakPolarHBondContact O-CG 3.48Å; V209-F213 PolarHBondContact O-N 3.45Å; Y211-F213 VanDerWaalsContact C-N 3.27Å; Y211-F213 PolarHBondContact O-N 3.38Å; F213-N216 PolarHBondContact O-N 3.39Å; F213-F217 PolarHBondContact O-N 3.11Å; F213-F217 VanDerWaalsContact O-N 3.11Å
214	L	98.3	Very high	96.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-45.9	174.3	173.7	59	0	0	0	111.9	V143 H145 D210 Y211 N216 F217 C218	V143-L214 HydrophobicContact CB-CD1 4.2Å; V143-L214 HydrophobicContact CG1-CD1 3.73Å; H145-L214 HydrophobicContact CB-CB 4.15Å; H145-L214 HydrophobicContact CB-CD1 3.98Å; H145-L214 HydrophobicContact CB-CD2 4.41Å; H145-L214 HydrophobicContact CB-CG 4.4Å; D210-L214 WeakPolarHBondContact O-CB 3.42Å; D210-L214 PolarHBondContact O-N 2.79Å; D210-L214 VanDerWaalsContact O-N 3.1Å; Y211-L214 HydrophobicContact CD1-CD2 4.31Å; Y211-L214 HydrophobicContact CE1-CD2 4.46Å; Y211-L214 PolarHBondContact O-N 2.77Å; L214-N216 PolarHBondContact O-N 3.25Å; L214-F217 PolarHBondContact O-N 3.38Å; L214-C218 PolarHBondContact O-N 3.13Å; L214-C218 VanDerWaalsContact O-N 3.11Å; L214-C218 PolarHBondContact O-SG 3.48Å
215	L	97.8	Very high	97	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.9	-45.4	177.3	-70.2	167.2	0	0	0	111.5	Y211 F217 C218 T219 Y225 M227 L274 L277 A278 L281	Y211-L215 WeakPolarHBondContact O-CB 3.18Å; Y211-L215 WeakPolarHBondContact O-CD1 3.42Å; Y211-L215 WeakPolarHBondContact O-CG 3.36Å; Y211-L215 PolarHBondContact O-N 3.15Å; L215-F217 VanDerWaalsContact C-N 3.34Å; L215-F217 PolarHBondContact O-N 2.87Å; L215-C218 PolarHBondContact O-N 2.84Å; L215-C218 VanDerWaalsContact O-N 3.11Å; L215-T219 PolarHBondContact O-N 3.46Å; L215-T219 PolarHBondContact O-OG1 2.94Å; L215-Y225 HydrophobicContact CD2-CD1 3.79Å; L215-Y225 HydrophobicContact CD2-CE1 3.28Å; L215-Y225 HydrophobicContact CD2-CE2 4.43Å; L215-M227 HydrophobicContact CD1-CE 3.96Å; L215-M227 HydrophobicContact CD2-CE 3.8Å; L215-M227 HydrophobicContact CG-CE 4.14Å; L215-L274 HydrophobicContact CD2-CD2 3.88Å; L215-L277 HydrophobicContact CD1-CB 4.39Å; L215-L277 HydrophobicContact CD1-CD2 3.79Å; L215-L277 HydrophobicContact CD1-CG 3.72Å; L215-L277 HydrophobicContact CD2-CD2 4.17Å; L215-A278 HydrophobicContact CB-CB 3.98Å; L215-L281 HydrophobicContact CD1-CD1 3.66Å
216	N	97.3	Very high	97.1	Very high	9 Å²	9	18.3 Å²	18.3	5%	0.048	9%	0.091	C	C	.	.	H	α-helix	trans	-57.1	-47.2	178.4	-179	60.5	0	0	0	111.6	T87 I88 Y92 A212 F213 L214 C218 T219 A278	T87-N216 WeakPolarHBondContact CA-OD1 3.39Å; T87-N216 WeakPolarHBondContact CB-OD1 3.3Å; I88-N216 HydrophobicContact CB-CB 4.42Å; I88-N216 HydrophobicContact CD1-CB 4.2Å; I88-N216 HydrophobicContact CG1-CB 4.4Å; I88-N216 PolarHBondContact N-OD1 3.11Å; I88-N216 PolarHBondContact O-ND2 3.44Å; Y92-N216 WeakPolarHBondContact OH-CB 3.2Å; Y92-N216 PolarHBondContact OH-ND2 3.15Å; A212-N216 VanDerWaalsContact O-CB 3.28Å; A212-N216 WeakPolarHBondContact O-CB 3.5Å; A212-N216 PolarHBondContact O-N 2.96Å; F213-N216 PolarHBondContact O-N 3.39Å; L214-N216 PolarHBondContact O-N 3.25Å; N216-C218 VanDerWaalsContact C-N 3.3Å; N216-C218 PolarHBondContact O-N 2.89Å; N216-T219 WeakPolarHBondContact O-CB 3.46Å; N216-T219 PolarHBondContact O-N 3.19Å; N216-T219 PolarHBondContact O-OG1 3.01Å; N216-A278 HydrophobicContact CB-CB 4.25Å
217	F	97.4	Very high	97.1	Very high	22 Å²	22	17 Å²	17	10%	0.096	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-39.4	175.9	-179.1	-91.5	0	0	0	112.6	Y92 Y94 P99 V143 L175 I177 F213 L214 L215 T219 L221	Y92-F217 HydrophobicContact CD1-CB 4.45Å; Y92-F217 HydrophobicContact CD1-CD2 4.11Å; Y92-F217 AromaticContact CD2-CD2 3.79Å; Y92-F217 HydrophobicContact CD2-CD2 3.79Å; Y92-F217 HydrophobicContact CE1-CB 3.97Å; Y92-F217 HydrophobicContact CE1-CD2 4.42Å; Y92-F217 HydrophobicContact CE2-CB 4.18Å; Y92-F217 HydrophobicContact CE2-CD2 4.16Å; Y92-F217 AromaticContact CG-CD2 3.76Å; Y92-F217 HydrophobicContact CG-CD2 3.76Å; Y92-F217 HydrophobicContact CG-CE2 4.42Å; Y94-F217 HydrophobicContact CD1-CZ 4.47Å; Y94-F217 AromaticContact CE1-CE2 3.64Å; Y94-F217 HydrophobicContact CE1-CE2 3.64Å; Y94-F217 AromaticContact CE1-CZ 3.62Å; Y94-F217 HydrophobicContact CE1-CZ 3.62Å; Y94-F217 AromaticContact CZ-CE2 3.66Å; Y94-F217 WeakPolarHBondContact OH-CE2 3.33Å; P99-F217 HydrophobicContact CG-CZ 4.23Å; V143-F217 HydrophobicContact CG1-CD1 3.78Å; V143-F217 HydrophobicContact CG1-CE1 3.8Å; V143-F217 HydrophobicContact CG2-CD1 4.48Å; V143-F217 HydrophobicContact CG2-CE1 4.2Å; L175-F217 HydrophobicContact CD1-CE1 4.24Å; L175-F217 HydrophobicContact CD1-CZ 4.46Å; I177-F217 HydrophobicContact CD1-CB 3.84Å; I177-F217 HydrophobicContact CD1-CD1 3.65Å; I177-F217 HydrophobicContact CD1-CD2 3.85Å; I177-F217 HydrophobicContact CD1-CE1 4.11Å; I177-F217 HydrophobicContact CD1-CE2 4.3Å; I177-F217 HydrophobicContact CD1-CG 3.49Å; I177-F217 VanDerWaalsContact CD1-CG 3.49Å; I177-F217 HydrophobicContact CD1-CZ 4.42Å; I177-F217 HydrophobicContact CG2-CD2 4.37Å; I177-F217 HydrophobicContact CG2-CE1 3.97Å; I177-F217 HydrophobicContact CG2-CE2 3.77Å; I177-F217 HydrophobicContact CG2-CZ 3.54Å; F213-F217 PolarHBondContact O-N 3.11Å; F213-F217 VanDerWaalsContact O-N 3.11Å; L214-F217 PolarHBondContact O-N 3.38Å; L215-F217 VanDerWaalsContact C-N 3.34Å; L215-F217 PolarHBondContact O-N 2.87Å; F217-T219 VanDerWaalsContact C-N 3.32Å; F217-T219 PolarHBondContact O-N 3.14Å; F217-L221 HydrophobicContact CD1-CD1 4.07Å; F217-L221 HydrophobicContact CE1-CD1 3.8Å
218	C	97.2	Very high	97.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-79.2	-9.2	-173.2	-66.1	0	0	0	0	114.9	T107 L214 L215 N216 N220 L221 Y225 L274	T107-C218 HydrophobicContact CG2-CB 3.99Å; L214-C218 PolarHBondContact O-N 3.13Å; L214-C218 VanDerWaalsContact O-N 3.11Å; L214-C218 PolarHBondContact O-SG 3.48Å; L215-C218 PolarHBondContact O-N 2.84Å; L215-C218 VanDerWaalsContact O-N 3.11Å; N216-C218 VanDerWaalsContact C-N 3.3Å; N216-C218 PolarHBondContact O-N 2.89Å; C218-N220 PolarHBondContact O-N 2.86Å; C218-L221 PolarHBondContact O-N 2.8Å; C218-Y225 HydrophobicContact CB-CD2 3.7Å; C218-Y225 HydrophobicContact CB-CE2 3.78Å; C218-L274 HydrophobicContact CB-CD1 4.02Å
219	T	93.7	Very high	97	Very high	24 Å²	24	17 Å²	17	15%	0.147	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.3	-43.8	-173.6	-63.2	0	0	0	0	114.7	L215 N216 F217 P275	L215-T219 PolarHBondContact O-N 3.46Å; L215-T219 PolarHBondContact O-OG1 2.94Å; N216-T219 WeakPolarHBondContact O-CB 3.46Å; N216-T219 PolarHBondContact O-N 3.19Å; N216-T219 PolarHBondContact O-OG1 3.01Å; F217-T219 VanDerWaalsContact C-N 3.32Å; F217-T219 PolarHBondContact O-N 3.14Å; T219-P275 HydrophobicContact CG2-CG 3.47Å; T219-P275 VanDerWaalsContact CG2-CG 3.47Å
220	N	92.2	Very high	96.8	Very high	109 Å²	109	17.4 Å²	17.4	58%	0.583	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	9.3	-170.3	-154.9	40.2	0	0	0	114.5	K103 C218	K103-N220 WeakPolarHBondContact CE-O 3.07Å; K103-N220 WeakPolarHBondContact CE-OD1 3.5Å; K103-N220 PolarHBondContact NZ-OD1 2.77Å; C218-N220 PolarHBondContact O-N 2.86Å
221	L	96.3	Very high	96.6	Very high	25 Å²	25	17.3 Å²	17.3	13%	0.131	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-31.9	-175.1	-62.6	-176.2	0	0	0	113.3	P99 K103 K104 T107 V141 V143 L175 F217 C218	P99-L221 HydrophobicContact CB-CD2 3.87Å; P99-L221 HydrophobicContact CG-CD2 4.44Å; K103-L221 WeakPolarHBondContact CA-O 3.41Å; K104-L221 PolarHBondContact N-O 2.77Å; T107-L221 HydrophobicContact CG2-CD1 4.35Å; T107-L221 WeakPolarHBondContact OG1-CB 3.31Å; V141-L221 HydrophobicContact CG1-CB 4.34Å; V143-L221 HydrophobicContact CG2-CD1 3.68Å; L175-L221 HydrophobicContact CD1-CD1 4.31Å; F217-L221 HydrophobicContact CD1-CD1 4.07Å; F217-L221 HydrophobicContact CE1-CD1 3.8Å; C218-L221 PolarHBondContact O-N 2.8Å
222	S	97.8	Very high	96.5	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.007	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	179	-173.4	-64.2	0	0	0	0	112.8	K104 L106 T107 F224 S271	K104-S222 WeakPolarHBondContact CB-OG 3.45Å; K104-S222 CarbonylContact O-C 3.52Å; K104-S222 WeakPolarHBondContact O-CA 3.39Å; K104-S222 WeakPolarHBondContact O-CB 3.47Å; L106-S222 PolarHBondContact O-OG 3.06Å; T107-S222 PolarHBondContact N-OG 3.27Å; T107-S222 VanDerWaalsContact N-OG 3.11Å; T107-S222 WeakPolarHBondContact OG1-CB 3.35Å; T107-S222 PolarHBondContact OG1-OG 3.18Å; S222-F224 WeakPolarHBondContact CB-O 3.26Å; S222-S271 WeakPolarHBondContact O-CB 3.37Å; S222-S271 PolarHBondContact O-OG 2.82Å; S222-S271 VanDerWaalsContact O-OG 3.07Å
223	H	97	Very high	96.3	Very high	107 Å²	107	22.5 Å²	22.5	50%	0.495	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-35.6	169.7	-65.2	-70	0	0	0	112.5	K104 F105 S271	K104-H223 PolarHBondContact O-CD2 3.25Å; K104-H223 VanDerWaalsContact O-CD2 3.27Å; K104-H223 PolarHBondContact O-N 2.97Å; F105-H223 PolarHBondContact O-N 3.35Å; H223-S271 VanDerWaalsContact C-OG 3.28Å; H223-S271 WeakPolarHBondContact O-CB 2.98Å; H223-S271 PolarHBondContact O-N 2.8Å; H223-S271 PolarHBondContact O-OG 3.5Å
224	F	98.4	Very high	96.1	Very high	22 Å²	22	22.4 Å²	22.4	10%	0.096	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	156.3	179.3	-60.6	-81.7	0	0	0	111.4	F105 L106 T107 S222 I246 W254 L268 Y269 H270 S271	F105-F224 HydrophobicContact CD1-CD2 4.27Å; F105-F224 HydrophobicContact CD2-CD2 4.5Å; F105-F224 AromaticContact CE1-CD2 3.78Å; F105-F224 HydrophobicContact CE1-CD2 3.78Å; F105-F224 HydrophobicContact CE1-CE2 4.22Å; F105-F224 HydrophobicContact CE2-CD2 4.04Å; F105-F224 AromaticContact CE2-CE2 3.8Å; F105-F224 HydrophobicContact CE2-CE2 3.8Å; F105-F224 AromaticContact CZ-CD2 3.64Å; F105-F224 HydrophobicContact CZ-CD2 3.64Å; F105-F224 AromaticContact CZ-CE2 3.59Å; F105-F224 HydrophobicContact CZ-CE2 3.59Å; F105-F224 PolarHBondContact O-N 3.36Å; L106-F224 WeakPolarHBondContact CA-O 3.26Å; L106-F224 HydrophobicContact CD1-CB 3.82Å; T107-F224 PolarHBondContact N-O 2.88Å; S222-F224 WeakPolarHBondContact CB-O 3.26Å; F224-I246 HydrophobicContact CD1-CD1 4.05Å; F224-I246 HydrophobicContact CD2-CD1 4.06Å; F224-I246 HydrophobicContact CE1-CD1 4.01Å; F224-I246 HydrophobicContact CE1-CG1 4.45Å; F224-I246 HydrophobicContact CE1-CG2 4.07Å; F224-I246 HydrophobicContact CE2-CD1 4.05Å; F224-I246 HydrophobicContact CE2-CG2 4.19Å; F224-I246 HydrophobicContact CG-CD1 4.07Å; F224-I246 HydrophobicContact CZ-CD1 4.03Å; F224-I246 HydrophobicContact CZ-CG2 3.58Å; F224-W254 HydrophobicContact CD1-CH2 4.07Å; F224-W254 HydrophobicContact CD1-CZ2 4.46Å; F224-W254 AromaticContact CE1-CH2 3.96Å; F224-W254 HydrophobicContact CE1-CH2 3.96Å; F224-W254 AromaticContact CE1-CZ2 3.9Å; F224-W254 HydrophobicContact CE1-CZ2 3.9Å; F224-L268 HydrophobicContact CB-CD1 3.91Å; F224-Y269 WeakPolarHBondContact CA-O 3.3Å; F224-H270 AromaticContact CD1-ND1 3.83Å; F224-H270 AromaticContact CE1-CE1 3.51Å; F224-H270 AromaticContact CE1-ND1 3.26Å; F224-H270 VanDerWaalsContact CE1-ND1 3.26Å; F224-H270 WeakPolarHBondContact CE1-ND1 3.44Å; F224-S271 VanDerWaalsContact C-OG 3.31Å; F224-S271 PolarHBondContact N-OG 2.93Å; F224-S271 PolarHBondContact O-OG 3.14Å
225	Y	98.6	Very high	95.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.5	176.1	172.9	-89.5	0	0	0	110.8	T107 L215 C218 M227 L268 Y269 L274	T107-Y225 HydrophobicContact CG2-CD2 3.96Å; T107-Y225 HydrophobicContact CG2-CE2 4.31Å; T107-Y225 CarbonylContact O-C 3.55Å; T107-Y225 WeakPolarHBondContact O-CA 3.2Å; L215-Y225 HydrophobicContact CD2-CD1 3.79Å; L215-Y225 HydrophobicContact CD2-CE1 3.28Å; L215-Y225 HydrophobicContact CD2-CE2 4.43Å; C218-Y225 HydrophobicContact CB-CD2 3.7Å; C218-Y225 HydrophobicContact CB-CE2 3.78Å; Y225-M227 HydrophobicContact CE1-CB 3.81Å; Y225-M227 HydrophobicContact CE1-CE 4.25Å; Y225-M227 HydrophobicContact CE1-CG 4.45Å; Y225-L268 WeakPolarHBondContact O-CA 3.49Å; Y225-L268 WeakPolarHBondContact O-CD1 3.49Å; Y225-Y269 HydrophobicContact CD1-CD2 4.15Å; Y225-Y269 PolarHBondContact N-O 3.15Å; Y225-Y269 PolarHBondContact O-N 2.97Å; Y225-L274 HydrophobicContact CD1-CD1 4.4Å; Y225-L274 HydrophobicContact CD1-CD2 4.01Å; Y225-L274 HydrophobicContact CD2-CD1 3.97Å; Y225-L274 HydrophobicContact CG-CD1 3.77Å; Y225-L274 HydrophobicContact CG-CD2 4.1Å
226	M	98.2	Very high	95.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.4	172.6	-178.7	62.9	71.6	0	0	109.7	L106 T107 I108 G109 L228 L242 F259 G266 L268 F314	L106-M226 HydrophobicContact CD1-CB 4.03Å; L106-M226 HydrophobicContact CD2-CB 4.41Å; L106-M226 HydrophobicContact CG-CB 4.49Å; T107-M226 PolarHBondContact O-N 2.91Å; I108-M226 HydrophobicContact CG1-CB 4.3Å; G109-M226 PolarHBondContact N-O 2.81Å; M226-L228 HydrophobicContact CG-CD1 4.49Å; M226-L228 HydrophobicContact CG-CD2 3.92Å; M226-L228 HydrophobicContact CG-CG 3.88Å; M226-L228 HydrophobicContact SD-CD2 4.36Å; M226-L242 HydrophobicContact CE-CD1 3.11Å; M226-F259 HydrophobicContact CE-CD2 3.8Å; M226-F259 HydrophobicContact CE-CE2 4.29Å; M226-F259 HydrophobicContact CE-CG 4.34Å; M226-G266 WeakPolarHBondContact SD-CA 3.47Å; M226-L268 HydrophobicContact CE-CB 4.01Å; M226-L268 HydrophobicContact CE-CD1 4.21Å; M226-L268 HydrophobicContact SD-CB 4.49Å; M226-F314 HydrophobicContact CE-CE2 3.65Å; M226-F314 HydrophobicContact CE-CZ 3.98Å; M226-F314 HydrophobicContact CG-CE2 4.33Å; M226-F314 HydrophobicContact CG-CZ 4.19Å; M226-F314 HydrophobicContact SD-CE2 3.85Å; M226-F314 HydrophobicContact SD-CZ 4.28Å
227	M	97.3	Very high	95.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.8	169.8	-167.5	173.7	-73.9	0	0	109.9	Y211 L215 Y225 G266 K267 Y269 L294	Y211-M227 HydrophobicContact CD1-CE 4.16Å; Y211-M227 HydrophobicContact CD1-CG 4.29Å; Y211-M227 HydrophobicContact CD1-SD 4.11Å; Y211-M227 HydrophobicContact CE1-CG 4.02Å; Y211-M227 HydrophobicContact CE1-SD 4.23Å; L215-M227 HydrophobicContact CD1-CE 3.96Å; L215-M227 HydrophobicContact CD2-CE 3.8Å; L215-M227 HydrophobicContact CG-CE 4.14Å; Y225-M227 HydrophobicContact CE1-CB 3.81Å; Y225-M227 HydrophobicContact CE1-CE 4.25Å; Y225-M227 HydrophobicContact CE1-CG 4.45Å; M227-G266 PolarHBondContact O-N 3.07Å; M227-K267 HydrophobicContact CB-CB 4.21Å; M227-K267 PolarHBondContact N-O 3.37Å; M227-K267 PolarHBondContact O-N 3.43Å; M227-Y269 HydrophobicContact CB-CE2 4.49Å; M227-Y269 HydrophobicContact CE-CE2 4.48Å; M227-L294 HydrophobicContact SD-CD1 4.15Å
228	L	96.6	Very high	95.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	164.5	172.5	-62.9	-176.8	0	0	0	110.7	I108 G109 L110 I128 M226 V232 I265 F314	I108-L228 HydrophobicContact CG2-CB 4.49Å; I108-L228 HydrophobicContact CG2-CD1 3.55Å; I108-L228 HydrophobicContact CG2-CG 4.02Å; G109-L228 PolarHBondContact O-N 2.83Å; G109-L228 VanDerWaalsContact O-N 3.12Å; L110-L228 HydrophobicContact CD2-CB 3.54Å; L110-L228 HydrophobicContact CD2-CD1 4.43Å; I128-L228 HydrophobicContact CD1-CD1 4.36Å; M226-L228 HydrophobicContact CG-CD1 4.49Å; M226-L228 HydrophobicContact CG-CD2 3.92Å; M226-L228 HydrophobicContact CG-CG 3.88Å; M226-L228 HydrophobicContact SD-CD2 4.36Å; L228-V232 HydrophobicContact CD2-CG1 4.44Å; L228-I265 HydrophobicContact CD2-CG2 4.15Å; L228-F314 HydrophobicContact CD1-CD1 4.06Å; L228-F314 HydrophobicContact CD1-CE1 3.89Å; L228-F314 HydrophobicContact CD2-CB 4.34Å; L228-F314 HydrophobicContact CD2-CD1 3.72Å; L228-F314 HydrophobicContact CD2-CD2 3.91Å; L228-F314 HydrophobicContact CD2-CE1 3.96Å; L228-F314 HydrophobicContact CD2-CE2 4.13Å; L228-F314 HydrophobicContact CD2-CG 3.7Å; L228-F314 HydrophobicContact CD2-CZ 4.15Å
229	E	94.1	Very high	95	Very high	26 Å²	26	29.8 Å²	29.8	12%	0.121	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	168	169.6	-50.9	-155	-148.5	0	0	111.4	L110 D231 V232 Y264 I265	L110-E229 WeakPolarHBondContact CD2-O 3.5Å; E229-D231 WeakPolarHBondContact CB-OD1 3.12Å; E229-D231 PolarHBondContact O-N 3.42Å; E229-V232 HydrophobicContact CB-CG2 3.98Å; E229-Y264 HydrophobicContact CB-CE2 4.44Å; E229-Y264 VanDerWaalsContact CD-OH 3.22Å; E229-Y264 HydrophobicContact CG-CD2 3.66Å; E229-Y264 HydrophobicContact CG-CE2 3.22Å; E229-Y264 WeakPolarHBondContact OE1-CE2 3.42Å; E229-Y264 VanDerWaalsContact OE1-CZ 3.23Å; E229-Y264 PolarHBondContact OE1-OH 3.45Å; E229-Y264 VanDerWaalsContact OE2-CE2 3.28Å; E229-Y264 WeakPolarHBondContact OE2-CE2 3.26Å; E229-Y264 PolarHBondContact OE2-OH 3.26Å; E229-I265 HydrophobicContact CB-CG1 4.39Å; E229-I265 HydrophobicContact CG-CD1 4.19Å; E229-I265 HydrophobicContact CG-CG1 3.57Å
230	D	94.4	Very high	94.9	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.043	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	5.2	176.4	71.3	-24.3	0	0	0	114.3	S112 R115 Y120 L121 T124	S112-D230 WeakPolarHBondContact CB-OD2 3.32Å; S112-D230 PolarHBondContact OG-OD2 3Å; R115-D230 IonicContact CZ-OD1 2.73Å; R115-D230 IonicContact NE-OD1 3.97Å; R115-D230 IonicContact NE-OD2 2.81Å; R115-D230 IonicContact NH2-OD1 3.87Å; R115-D230 PolarHBondContact NH2-OD1 2.77Å; R115-D230 IonicContact NH2-OD2 2.79Å; Y120-D230 CarbonylContact C-O 3.59Å; Y120-D230 WeakPolarHBondContact CB-O 3.3Å; L121-D230 VanDerWaalsContact CA-O 3.24Å; L121-D230 WeakPolarHBondContact CA-O 3.49Å; L121-D230 HydrophobicContact CB-CB 4.14Å; L121-D230 HydrophobicContact CD1-CB 3.82Å; L121-D230 PolarHBondContact N-O 3.1Å; L121-D230 VanDerWaalsContact N-O 3.12Å; T124-D230 PolarHBondContact OG1-O 3.08Å
231	D	93.6	Very high	94.7	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131	51.3	178.7	60	0.9	0	0	0	113.5	R115 Y120 T124 E229 H316 M317	R115-D231 IonicContact CZ-OD2 3.99Å; R115-D231 VanDerWaalsContact CZ-OD2 3.25Å; R115-D231 IonicContact NH1-OD2 3.96Å; R115-D231 PolarHBondContact NH1-OD2 3.07Å; R115-D231 IonicContact NH2-OD1 3.64Å; R115-D231 IonicContact NH2-OD2 2.65Å; R115-D231 PolarHBondContact NH2-OD2 2.76Å; Y120-D231 HydrophobicContact CD2-CB 3.84Å; Y120-D231 HydrophobicContact CG-CB 3.81Å; T124-D231 WeakPolarHBondContact OG1-CA 3.38Å; T124-D231 PolarHBondContact OG1-N 2.69Å; E229-D231 WeakPolarHBondContact CB-OD1 3.12Å; E229-D231 PolarHBondContact O-N 3.42Å; D231-H316 IonicContact OD1-CD2 3.85Å; D231-H316 PolarHBondContact OD1-CD2 3.28Å; D231-H316 VanDerWaalsContact OD1-CD2 3.31Å; D231-H316 IonicContact OD1-NE2 2.67Å; D231-H316 IonicContact OD2-CD2 2.76Å; D231-H316 IonicContact OD2-NE2 3.72Å; D231-H316 PolarHBondContact OD2-NE2 3.42Å; D231-H316 VanDerWaalsContact OD2-NE2 3.13Å; D231-M317 VanDerWaalsContact C-CG 3.47Å; D231-M317 WeakPolarHBondContact O-CG 3.29Å; D231-M317 PolarHBondContact O-N 3.48Å
232	V	94.4	Very high	94.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.2	-176.4	176	0	0	0	0	111.6	T124 L228 E229 I265 F314 Q315	T124-V232 WeakPolarHBondContact CA-O 3.41Å; T124-V232 HydrophobicContact CG2-CB 4.19Å; T124-V232 WeakPolarHBondContact CG2-O 3.41Å; T124-V232 PolarHBondContact OG1-N 3.41Å; T124-V232 PolarHBondContact OG1-O 2.91Å; L228-V232 HydrophobicContact CD2-CG1 4.44Å; E229-V232 HydrophobicContact CB-CG2 3.98Å; V232-I265 HydrophobicContact CG1-CG2 4.34Å; V232-I265 HydrophobicContact CG2-CD1 4.05Å; V232-I265 HydrophobicContact CG2-CG1 3.99Å; V232-I265 HydrophobicContact CG2-CG2 4.01Å; V232-F314 HydrophobicContact CG1-CB 3.74Å; V232-F314 HydrophobicContact CG1-CD1 4.05Å; V232-F314 HydrophobicContact CG1-CG 4.3Å; V232-Q315 CarbonylContact C-O 3.57Å; V232-Q315 WeakPolarHBondContact CA-O 3.47Å
233	R	93.6	Very high	94.3	Very high	114 Å²	114	28.9 Å²	28.9	43%	0.43	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134.4	164.9	-169.6	172.2	-176.4	155.4	-5.8	109.9	F314 Q315 M317 E337	R233-F314 WeakPolarHBondContact O-CA 3.28Å; R233-Q315 PolarHBondContact N-O 3.11Å; R233-Q315 PolarHBondContact O-N 3.12Å; R233-M317 HydrophobicContact CB-SD 4Å; R233-E337 IonicContact CZ-OE1 2.66Å; R233-E337 IonicContact CZ-OE2 2.7Å; R233-E337 IonicContact NE-OE1 3.37Å; R233-E337 PolarHBondContact NE-OE1 3.47Å; R233-E337 IonicContact NE-OE2 3.11Å; R233-E337 PolarHBondContact NE-OE2 2.99Å; R233-E337 VanDerWaalsContact NH2-CD 3.26Å; R233-E337 IonicContact NH2-OE1 2.71Å; R233-E337 PolarHBondContact NH2-OE1 3.41Å; R233-E337 IonicContact NH2-OE2 3.32Å; R233-E337 PolarHBondContact NH2-OE2 3.4Å
234	C	95	Very high	93.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	149	178.3	-58.5	0	0	0	0	111.3	S127 I128 Q131 F238 F314	S127-C234 PolarHBondContact OG-N 2.82Å; I128-C234 VanDerWaalsContact CG1-SG 3.56Å; Q131-C234 HydrophobicContact CB-CB 4.22Å; Q131-C234 HydrophobicContact CG-CB 4.36Å; Q131-C234 WeakPolarHBondContact CG-O 3.46Å; C234-F238 HydrophobicContact CB-CD1 3.92Å; C234-F238 HydrophobicContact CB-CE1 4.27Å; C234-F314 HydrophobicContact CB-CD1 4.41Å; C234-F314 HydrophobicContact CB-CE1 4.45Å
235	S	93.3	Very high	93.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-72.8	157.1	162.8	55.1	0	0	0	0	111	Q131 L313	Q131-S235 WeakPolarHBondContact CB-O 3.46Å; S235-L313 WeakPolarHBondContact CB-O 3.39Å; S235-L313 PolarHBondContact N-O 3.17Å; S235-L313 VanDerWaalsContact OG-CA 3.27Å; S235-L313 WeakPolarHBondContact OG-CA 3.43Å; S235-L313 WeakPolarHBondContact OG-CB 3.26Å; S235-L313 WeakPolarHBondContact OG-CD2 3.37Å; S235-L313 PolarHBondContact OG-O 2.83Å
236	R	89.8	Confident	92.6	Very high	129 Å²	129	26.9 Å²	26.9	49%	0.487	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	136.4	178.6	-168.1	175.3	-178.9	-176	-0.1	111.6	F238 E337	R236-F238 PolarHBondContact O-N 3.31Å; R236-E337 PolarHBondContact N-O 3.02Å
237	N	90.2	Very high	92	Very high	58 Å²	58	30.4 Å²	30.4	31%	0.31	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	38.2	-179.6	-54.9	-26.8	0	0	0	113.4	Q131 E136 L239 T240 A241	Q131-N237 PolarHBondContact O-N 3.07Å; E136-N237 VanDerWaalsContact OE1-CA 3.3Å; E136-N237 WeakPolarHBondContact OE1-CA 3.35Å; E136-N237 VanDerWaalsContact OE1-O 3.06Å; E136-N237 WeakPolarHBondContact OE2-CA 3.07Å; N237-L239 PolarHBondContact O-N 3.39Å; N237-L239 VanDerWaalsContact O-N 3.17Å; N237-T240 WeakPolarHBondContact O-CB 3.41Å; N237-T240 PolarHBondContact O-N 3.38Å; N237-A241 PolarHBondContact O-N 2.9Å
238	F	94.7	Very high	91.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.4	-29.3	-174.5	68.3	-92	0	0	0	113.1	L106 I108 I128 S132 C234 R236 T240 L242 L313 F314	L106-F238 HydrophobicContact CD2-CE2 4.29Å; I108-F238 HydrophobicContact CD1-CE2 3.76Å; I108-F238 HydrophobicContact CD1-CZ 3.62Å; I128-F238 HydrophobicContact CG2-CE1 4.48Å; I128-F238 HydrophobicContact CG2-CZ 4.2Å; S132-F238 WeakPolarHBondContact OG-CE1 3.38Å; C234-F238 HydrophobicContact CB-CD1 3.92Å; C234-F238 HydrophobicContact CB-CE1 4.27Å; R236-F238 PolarHBondContact O-N 3.31Å; F238-T240 VanDerWaalsContact C-N 3.34Å; F238-L242 VanDerWaalsContact O-CB 3.23Å; F238-L242 WeakPolarHBondContact O-CB 3.42Å; F238-L242 PolarHBondContact O-N 3.33Å; F238-L313 HydrophobicContact CB-CB 4.32Å; F238-L313 HydrophobicContact CB-CD1 4.24Å; F238-F314 HydrophobicContact CD2-CE1 4.07Å; F238-F314 AromaticContact CD2-CZ 3.9Å; F238-F314 HydrophobicContact CD2-CZ 3.9Å; F238-F314 HydrophobicContact CE2-CZ 4.47Å; F238-F314 HydrophobicContact CG-CE1 4.26Å; F238-F314 HydrophobicContact CG-CZ 4.4Å
239	L	95.3	Very high	90.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.5	-35.1	178.8	168.2	63.3	0	0	0	110.7	F105 L106 E136 E139 I140 N237 L242 K243	F105-L239 HydrophobicContact CD1-CD1 3.59Å; F105-L239 HydrophobicContact CE1-CD1 3.78Å; L106-L239 HydrophobicContact CB-CD1 4.13Å; L106-L239 HydrophobicContact CD2-CD1 3.97Å; E136-L239 HydrophobicContact CB-CB 4.2Å; E136-L239 HydrophobicContact CB-CD2 3.88Å; E136-L239 HydrophobicContact CB-CG 4.46Å; E136-L239 HydrophobicContact CG-CB 3.78Å; E136-L239 HydrophobicContact CG-CD2 3.94Å; E136-L239 HydrophobicContact CG-CG 4.05Å; E136-L239 WeakPolarHBondContact OE1-CA 3.41Å; E136-L239 WeakPolarHBondContact OE1-CB 3.34Å; E136-L239 PolarHBondContact OE1-N 2.94Å; E136-L239 VanDerWaalsContact OE1-N 3.08Å; E139-L239 HydrophobicContact CB-CD2 4Å; I140-L239 HydrophobicContact CG2-CD2 3.56Å; N237-L239 PolarHBondContact O-N 3.39Å; N237-L239 VanDerWaalsContact O-N 3.17Å; L239-L242 HydrophobicContact CD1-CD2 3.88Å; L239-L242 PolarHBondContact O-N 2.94Å; L239-K243 HydrophobicContact CD1-CD 4.33Å; L239-K243 HydrophobicContact CD1-CG 4.06Å; L239-K243 HydrophobicContact CG-CD 4.32Å; L239-K243 HydrophobicContact CG-CG 4.49Å; L239-K243 WeakPolarHBondContact O-CB 3.27Å; L239-K243 WeakPolarHBondContact O-CG 3.45Å; L239-K243 PolarHBondContact O-N 3.4Å
240	T	91.1	Very high	89.7	Confident	78 Å²	78	41.7 Å²	41.7	48%	0.479	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-47.4	176	-56	0	0	0	0	110.1	E136 N237 F238 L242 K243 K244	E136-T240 WeakPolarHBondContact OE1-CB 3.44Å; E136-T240 PolarHBondContact OE1-N 2.98Å; E136-T240 PolarHBondContact OE1-OG1 2.94Å; N237-T240 WeakPolarHBondContact O-CB 3.41Å; N237-T240 PolarHBondContact O-N 3.38Å; F238-T240 VanDerWaalsContact C-N 3.34Å; T240-L242 VanDerWaalsContact C-N 3.35Å; T240-L242 PolarHBondContact O-N 2.86Å; T240-K243 PolarHBondContact O-N 2.91Å; T240-K244 PolarHBondContact O-N 3.28Å; T240-K244 VanDerWaalsContact O-N 3.07Å
241	A	89.6	Confident	88.9	Confident	12 Å²	12	45.5 Å²	45.5	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-46.8	172.8	0	0	0	0	0	111.7	N237 K243 K244 V245 L313 I342	N237-A241 PolarHBondContact O-N 2.9Å; A241-K243 PolarHBondContact O-N 3.33Å; A241-K244 VanDerWaalsContact O-CB 3.3Å; A241-K244 WeakPolarHBondContact O-CB 3.4Å; A241-K244 PolarHBondContact O-N 2.73Å; A241-V245 WeakPolarHBondContact O-CG2 3.27Å; A241-V245 PolarHBondContact O-N 2.79Å; A241-L313 HydrophobicContact CB-CD1 3.92Å; A241-L313 HydrophobicContact CB-CD2 3.91Å; A241-I342 HydrophobicContact CB-CD1 3.64Å
242	L	92.8	Very high	88.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-43.1	178.5	180	134.6	0	0	0	112.7	F105 L106 M226 F238 L239 T240 K244 V245 I246 F259 L268	F105-L242 HydrophobicContact CE1-CD2 4.02Å; L106-L242 HydrophobicContact CD1-CD2 4.45Å; L106-L242 HydrophobicContact CD2-CD2 4.42Å; M226-L242 HydrophobicContact CE-CD1 3.11Å; F238-L242 VanDerWaalsContact O-CB 3.23Å; F238-L242 WeakPolarHBondContact O-CB 3.42Å; F238-L242 PolarHBondContact O-N 3.33Å; L239-L242 HydrophobicContact CD1-CD2 3.88Å; L239-L242 PolarHBondContact O-N 2.94Å; T240-L242 VanDerWaalsContact C-N 3.35Å; T240-L242 PolarHBondContact O-N 2.86Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 2.74Å; L242-V245 PolarHBondContact O-N 2.99Å; L242-I246 HydrophobicContact CD2-CD1 3.43Å; L242-I246 VanDerWaalsContact CD2-CD1 3.43Å; L242-I246 HydrophobicContact CD2-CG1 4.46Å; L242-I246 HydrophobicContact CG-CD1 4.07Å; L242-I246 WeakPolarHBondContact O-CG1 3.11Å; L242-I246 PolarHBondContact O-N 2.85Å; L242-F259 HydrophobicContact CB-CE1 4.34Å; L242-F259 HydrophobicContact CB-CZ 4.35Å; L242-F259 HydrophobicContact CD1-CD2 4.25Å; L242-F259 HydrophobicContact CD1-CE1 4.37Å; L242-F259 HydrophobicContact CD1-CE2 3.85Å; L242-F259 HydrophobicContact CD1-CZ 3.91Å; L242-F259 HydrophobicContact CG-CE1 4.41Å; L242-F259 HydrophobicContact CG-CE2 4.35Å; L242-F259 HydrophobicContact CG-CZ 3.95Å; L242-L268 HydrophobicContact CD1-CD1 4.02Å; L242-L268 HydrophobicContact CD1-CD2 3.99Å; L242-L268 HydrophobicContact CD1-CG 4.46Å; L242-L268 HydrophobicContact CD2-CD1 4.44Å; L242-L268 HydrophobicContact CD2-CD2 4.4Å; L242-L268 HydrophobicContact CG-CD2 4.12Å
243	K	92.3	Very high	88.1	Confident	50 Å²	50	54.9 Å²	54.9	22%	0.217	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-44.2	175.4	-82.2	177.3	166.3	-161.2	0	111.9	F105 E139 L239 T240 A241 V245 I246 T247	F105-K243 HydrophobicContact CD1-CG 4.23Å; F105-K243 HydrophobicContact CE1-CD 4.26Å; F105-K243 HydrophobicContact CE1-CG 3.5Å; F105-K243 VanDerWaalsContact CE1-CG 3.5Å; F105-K243 HydrophobicContact CE2-CG 4.2Å; F105-K243 HydrophobicContact CZ-CD 4.29Å; F105-K243 HydrophobicContact CZ-CG 3.49Å; F105-K243 VanDerWaalsContact CZ-CG 3.49Å; E139-K243 IonicContact OE1-NZ 3.13Å; E139-K243 PolarHBondContact OE1-NZ 3.2Å; E139-K243 IonicContact OE2-NZ 3.64Å; E139-K243 PolarHBondContact OE2-NZ 2.95Å; L239-K243 HydrophobicContact CD1-CD 4.33Å; L239-K243 HydrophobicContact CD1-CG 4.06Å; L239-K243 HydrophobicContact CG-CD 4.32Å; L239-K243 HydrophobicContact CG-CG 4.49Å; L239-K243 WeakPolarHBondContact O-CB 3.27Å; L239-K243 WeakPolarHBondContact O-CG 3.45Å; L239-K243 PolarHBondContact O-N 3.4Å; T240-K243 PolarHBondContact O-N 2.91Å; A241-K243 PolarHBondContact O-N 3.33Å; K243-V245 VanDerWaalsContact C-N 3.29Å; K243-V245 PolarHBondContact O-N 3.31Å; K243-I246 PolarHBondContact O-N 3.37Å; K243-T247 WeakPolarHBondContact O-CB 3.41Å; K243-T247 PolarHBondContact O-N 2.87Å; K243-T247 PolarHBondContact O-OG1 2.79Å; K243-T247 VanDerWaalsContact O-OG1 3.09Å
244	K	85.2	Confident	88	Confident	55 Å²	55	50 Å²	50	24%	0.239	27%	0.265	C	S	.	.	H	α-helix	trans	-54.8	-46.1	176.9	-160.8	-173.1	-163.3	-130.6	0	111.4	T240 A241 L242 T247 S248 I342 D344	T240-K244 PolarHBondContact O-N 3.28Å; T240-K244 VanDerWaalsContact O-N 3.07Å; A241-K244 VanDerWaalsContact O-CB 3.3Å; A241-K244 WeakPolarHBondContact O-CB 3.4Å; A241-K244 PolarHBondContact O-N 2.73Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-K244 PolarHBondContact O-N 2.74Å; K244-T247 PolarHBondContact O-N 2.83Å; K244-S248 PolarHBondContact O-N 3.18Å; K244-I342 PolarHBondContact NZ-O 3.43Å; K244-D344 WeakPolarHBondContact CD-OD1 3.33Å; K244-D344 VanDerWaalsContact CE-CG 3.47Å; K244-D344 WeakPolarHBondContact CE-OD1 3.01Å; K244-D344 WeakPolarHBondContact CE-OD2 3Å; K244-D344 WeakPolarHBondContact CG-OD1 3.26Å; K244-D344 IonicContact NZ-OD1 2.74Å; K244-D344 PolarHBondContact NZ-OD1 3.44Å; K244-D344 IonicContact NZ-OD2 3.05Å; K244-D344 PolarHBondContact NZ-OD2 2.83Å
245	V	85.6	Confident	87.9	Confident	13 Å²	13	50.1 Å²	50.1	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-66.9	-42.7	177.7	179.2	0	0	0	0	112.4	A241 L242 K243 T247 S248 R249 M257 F259 F309	A241-V245 WeakPolarHBondContact O-CG2 3.27Å; A241-V245 PolarHBondContact O-N 2.79Å; L242-V245 PolarHBondContact O-N 2.99Å; K243-V245 VanDerWaalsContact C-N 3.29Å; K243-V245 PolarHBondContact O-N 3.31Å; V245-T247 VanDerWaalsContact C-N 3.33Å; V245-T247 PolarHBondContact O-N 2.86Å; V245-S248 PolarHBondContact O-N 2.96Å; V245-S248 PolarHBondContact O-OG 2.64Å; V245-S248 VanDerWaalsContact O-OG 3.05Å; V245-R249 WeakPolarHBondContact O-CG 3.33Å; V245-R249 PolarHBondContact O-N 3.13Å; V245-M257 HydrophobicContact CG1-SD 4.15Å; V245-F259 HydrophobicContact CB-CE1 4.23Å; V245-F259 HydrophobicContact CB-CZ 4.17Å; V245-F259 HydrophobicContact CG1-CE1 4.38Å; V245-F259 HydrophobicContact CG1-CZ 4.09Å; V245-F259 HydrophobicContact CG2-CE1 4.07Å; V245-F309 HydrophobicContact CG1-CD2 4.39Å; V245-F309 HydrophobicContact CG2-CD1 4.21Å; V245-F309 HydrophobicContact CG2-CD2 3.34Å; V245-F309 HydrophobicContact CG2-CE1 3.94Å; V245-F309 HydrophobicContact CG2-CE2 3.09Å; V245-F309 HydrophobicContact CG2-CG 3.85Å; V245-F309 HydrophobicContact CG2-CZ 3.32Å
246	I	88.4	Confident	88	Confident	18 Å²	18	50.3 Å²	50.3	9%	0.092	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-46.2	176.3	-69.8	167.7	0	0	0	110.1	F105 F224 L242 K243 R249 E250 M257 L268	F105-I246 HydrophobicContact CE1-CD1 4.05Å; F105-I246 HydrophobicContact CZ-CD1 3.94Å; F224-I246 HydrophobicContact CD1-CD1 4.05Å; F224-I246 HydrophobicContact CD2-CD1 4.06Å; F224-I246 HydrophobicContact CE1-CD1 4.01Å; F224-I246 HydrophobicContact CE1-CG1 4.45Å; F224-I246 HydrophobicContact CE1-CG2 4.07Å; F224-I246 HydrophobicContact CE2-CD1 4.05Å; F224-I246 HydrophobicContact CE2-CG2 4.19Å; F224-I246 HydrophobicContact CG-CD1 4.07Å; F224-I246 HydrophobicContact CZ-CD1 4.03Å; F224-I246 HydrophobicContact CZ-CG2 3.58Å; L242-I246 HydrophobicContact CD2-CD1 3.43Å; L242-I246 VanDerWaalsContact CD2-CD1 3.43Å; L242-I246 HydrophobicContact CD2-CG1 4.46Å; L242-I246 HydrophobicContact CG-CD1 4.07Å; L242-I246 WeakPolarHBondContact O-CG1 3.11Å; L242-I246 PolarHBondContact O-N 2.85Å; K243-I246 PolarHBondContact O-N 3.37Å; I246-R249 CarbonylContact O-C 3.51Å; I246-R249 PolarHBondContact O-N 2.57Å; I246-E250 PolarHBondContact O-N 3.12Å; I246-M257 HydrophobicContact CG1-CE 3.82Å; I246-L268 HydrophobicContact CD1-CD2 3.84Å; I246-L268 HydrophobicContact CG1-CD2 3.89Å
247	T	85.8	Confident	88.2	Confident	75 Å²	75	44.2 Å²	44.2	46%	0.46	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-41	179.7	-62.1	0	0	0	0	111.8	K243 K244 V245 R249 E250	K243-T247 WeakPolarHBondContact O-CB 3.41Å; K243-T247 PolarHBondContact O-N 2.87Å; K243-T247 PolarHBondContact O-OG1 2.79Å; K243-T247 VanDerWaalsContact O-OG1 3.09Å; K244-T247 PolarHBondContact O-N 2.83Å; V245-T247 VanDerWaalsContact C-N 3.33Å; V245-T247 PolarHBondContact O-N 2.86Å; T247-R249 PolarHBondContact O-N 3.12Å; T247-R249 VanDerWaalsContact O-N 3.15Å; T247-E250 WeakPolarHBondContact O-CB 3.43Å; T247-E250 PolarHBondContact O-N 3.01Å; T247-E250 VanDerWaalsContact O-N 3.09Å
248	S	79.4	Confident	88.4	Confident	31 Å²	31	41.9 Å²	41.9	22%	0.217	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-18.8	177.1	77.2	0	0	0	0	113.2	K244 V245 P347	K244-S248 PolarHBondContact O-N 3.18Å; V245-S248 PolarHBondContact O-N 2.96Å; V245-S248 PolarHBondContact O-OG 2.64Å; V245-S248 VanDerWaalsContact O-OG 3.05Å; S248-P347 WeakPolarHBondContact O-CD 3.1Å; S248-P347 VanDerWaalsContact O-CG 3.3Å; S248-P347 WeakPolarHBondContact O-CG 3.15Å
249	R	80.4	Confident	88.3	Confident	67 Å²	67	42 Å²	42	25%	0.253	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	9.6	177.2	-63.9	-72.5	-178.8	-178.9	-1.5	113.3	V245 I246 T247 G251 S252 M257	V245-R249 WeakPolarHBondContact O-CG 3.33Å; V245-R249 PolarHBondContact O-N 3.13Å; I246-R249 CarbonylContact O-C 3.51Å; I246-R249 PolarHBondContact O-N 2.57Å; T247-R249 PolarHBondContact O-N 3.12Å; T247-R249 VanDerWaalsContact O-N 3.15Å; R249-G251 PolarHBondContact O-N 3.01Å; R249-S252 VanDerWaalsContact O-CB 3.26Å; R249-S252 WeakPolarHBondContact O-CB 3.19Å; R249-S252 PolarHBondContact O-N 3.03Å; R249-M257 HydrophobicContact CG-SD 4.33Å
250	E	79.8	Confident	88	Confident	165 Å²	165	42 Å²	42	77%	0.771	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	132.8	178.6	-168.7	168.2	-152.2	0	0	110.9	I246 T247 S252	I246-E250 PolarHBondContact O-N 3.12Å; T247-E250 WeakPolarHBondContact O-CB 3.43Å; T247-E250 PolarHBondContact O-N 3.01Å; T247-E250 VanDerWaalsContact O-N 3.09Å; E250-S252 VanDerWaalsContact C-N 3.26Å; E250-S252 PolarHBondContact O-N 2.84Å
251	G	77	Confident	87.6	Confident	87 Å²	87	41.4 Å²	41.4	90%	0.897	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.7	-6.1	-173.9	0	0	0	0	0	115.6	R249	R249-G251 PolarHBondContact O-N 3.01Å
252	S	83.3	Confident	87.3	Confident	47 Å²	47	41.9 Å²	41.9	33%	0.329	22%	0.223	S	C	.	.			trans	-89.7	141.8	173.2	-57.6	0	0	0	0	111.4	R249 E250	R249-S252 VanDerWaalsContact O-CB 3.26Å; R249-S252 WeakPolarHBondContact O-CB 3.19Å; R249-S252 PolarHBondContact O-N 3.03Å; E250-S252 VanDerWaalsContact C-N 3.26Å; E250-S252 PolarHBondContact O-N 2.84Å
253	Y	86.8	Confident	86.6	Confident	153 Å²	153	43.8 Å²	43.8	60%	0.6	24%	0.243	S	C	*	.			trans	-78	128.9	172.6	176.2	-100.8	0	0	0	110.9	V255 L301	Y253-V255 HydrophobicContact CE1-CG2 4Å; Y253-V255 WeakPolarHBondContact OH-CG2 3.46Å; Y253-L301 WeakPolarHBondContact CE1-O 3.32Å; Y253-L301 PolarHBondContact OH-O 2.78Å
254	W	92.9	Very high	86.1	Confident	11 Å²	11	42.2 Å²	42.2	4%	0.042	24%	0.236	C	C	.	.			trans	-152.6	153.1	169.5	58.4	-91.5	0	0	0	110.1	F224 M257 L268 H270 I307	F224-W254 HydrophobicContact CD1-CH2 4.07Å; F224-W254 HydrophobicContact CD1-CZ2 4.46Å; F224-W254 AromaticContact CE1-CH2 3.96Å; F224-W254 HydrophobicContact CE1-CH2 3.96Å; F224-W254 AromaticContact CE1-CZ2 3.9Å; F224-W254 HydrophobicContact CE1-CZ2 3.9Å; W254-M257 HydrophobicContact CD2-CE 4.03Å; W254-M257 HydrophobicContact CD2-CG 4Å; W254-M257 HydrophobicContact CD2-SD 4.22Å; W254-M257 HydrophobicContact CE3-CE 4.28Å; W254-M257 HydrophobicContact CE3-CG 3.92Å; W254-M257 HydrophobicContact CG-CG 4.34Å; W254-M257 HydrophobicContact CG-SD 4.46Å; W254-M257 HydrophobicContact CH2-CE 3.75Å; W254-M257 HydrophobicContact CZ2-CE 3.43Å; W254-M257 VanDerWaalsContact CZ2-CE 3.43Å; W254-M257 HydrophobicContact CZ3-CE 4.16Å; W254-M257 HydrophobicContact CZ3-CG 4.39Å; W254-L268 HydrophobicContact CH2-CD2 4.32Å; W254-L268 HydrophobicContact CH2-CG 4.38Å; W254-H270 AromaticContact CD2-NE2 3.98Å; W254-H270 AromaticContact CE2-CE1 3.96Å; W254-H270 AromaticContact CE2-NE2 3.38Å; W254-H270 AromaticContact CH2-CD2 3.59Å; W254-H270 AromaticContact CH2-CE1 3.79Å; W254-H270 AromaticContact CH2-CG 3.88Å; W254-H270 AromaticContact CH2-ND1 3.99Å; W254-H270 AromaticContact CH2-NE2 3.57Å; W254-H270 AromaticContact CZ2-CD2 3.73Å; W254-H270 AromaticContact CZ2-CE1 3.36Å; W254-H270 WeakPolarHBondContact CZ2-CE1 3.43Å; W254-H270 AromaticContact CZ2-NE2 3.18Å; W254-H270 WeakPolarHBondContact CZ2-NE2 3.49Å; W254-H270 AromaticContact CZ3-CD2 3.81Å; W254-H270 AromaticContact NE1-NE2 3.89Å; W254-I307 HydrophobicContact CB-CD1 3.7Å
255	V	93.4	Very high	86.3	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	23%	0.225	C	C	.	.	S	Bend	trans	-105	-43	-179.2	176.3	0	0	0	0	109.8	Y253 Y269 F297 L301 Q303	Y253-V255 HydrophobicContact CE1-CG2 4Å; Y253-V255 WeakPolarHBondContact OH-CG2 3.46Å; V255-Y269 WeakPolarHBondContact O-CD1 3.39Å; V255-F297 HydrophobicContact CG1-CD1 3.94Å; V255-F297 HydrophobicContact CG1-CE1 3.73Å; V255-L301 HydrophobicContact CB-CB 4.4Å; V255-L301 HydrophobicContact CG1-CB 4.1Å; V255-L301 HydrophobicContact CG1-CD1 3.54Å; V255-L301 HydrophobicContact CG1-CG 4.4Å; V255-L301 HydrophobicContact CG2-CB 3.44Å; V255-L301 VanDerWaalsContact CG2-CB 3.44Å; V255-L301 HydrophobicContact CG2-CD1 4.14Å; V255-L301 HydrophobicContact CG2-CG 4.44Å; V255-Q303 HydrophobicContact CB-CB 4.31Å; V255-Q303 HydrophobicContact CG2-CB 3.96Å
256	M	94.3	Very high	86.7	Confident	4 Å²	4	39 Å²	39	2%	0.02	22%	0.221	C	C	.	.			trans	-150.1	135.1	-177	175.4	-99.3	-82.2	0	0	110.6	E258 K267 L268 Y269 R298 Q303	M256-E258 HydrophobicContact CE-CG 4.37Å; M256-E258 HydrophobicContact SD-CG 3.31Å; M256-E258 WeakPolarHBondContact SD-CG 3.48Å; M256-K267 HydrophobicContact CE-CD 4.31Å; M256-K267 HydrophobicContact CG-CB 4.39Å; M256-K267 HydrophobicContact CG-CD 4.47Å; M256-K267 HydrophobicContact SD-CD 3.86Å; M256-L268 WeakPolarHBondContact CA-O 3.29Å; M256-Y269 HydrophobicContact CB-CD1 4.12Å; M256-Y269 HydrophobicContact CB-CE1 3.64Å; M256-Y269 HydrophobicContact CG-CD1 4.39Å; M256-Y269 HydrophobicContact CG-CE1 3.69Å; M256-Y269 HydrophobicContact CG-CE2 4.44Å; M256-R298 HydrophobicContact CE-CB 4.41Å; M256-Q303 PolarHBondContact O-NE2 2.7Å
257	M	93.9	Very high	87.1	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.6	170.2	-64.1	-169.3	-71.4	0	0	110.3	V245 I246 R249 W254 F259 L268 I307	V245-M257 HydrophobicContact CG1-SD 4.15Å; I246-M257 HydrophobicContact CG1-CE 3.82Å; R249-M257 HydrophobicContact CG-SD 4.33Å; W254-M257 HydrophobicContact CD2-CE 4.03Å; W254-M257 HydrophobicContact CD2-CG 4Å; W254-M257 HydrophobicContact CD2-SD 4.22Å; W254-M257 HydrophobicContact CE3-CE 4.28Å; W254-M257 HydrophobicContact CE3-CG 3.92Å; W254-M257 HydrophobicContact CG-CG 4.34Å; W254-M257 HydrophobicContact CG-SD 4.46Å; W254-M257 HydrophobicContact CH2-CE 3.75Å; W254-M257 HydrophobicContact CZ2-CE 3.43Å; W254-M257 VanDerWaalsContact CZ2-CE 3.43Å; W254-M257 HydrophobicContact CZ3-CE 4.16Å; W254-M257 HydrophobicContact CZ3-CG 4.39Å; M257-F259 HydrophobicContact CB-CE2 4.07Å; M257-L268 HydrophobicContact CB-CB 4.37Å; M257-L268 HydrophobicContact CE-CD2 3.54Å; M257-L268 PolarHBondContact N-O 2.92Å; M257-L268 VanDerWaalsContact N-O 3.13Å; M257-L268 PolarHBondContact O-N 3.25Å; M257-I307 CarbonylContact C-O 3.53Å; M257-I307 WeakPolarHBondContact CA-O 3.23Å; M257-I307 HydrophobicContact CG-CB 4.2Å; M257-I307 HydrophobicContact CG-CG2 3.83Å; M257-I307 HydrophobicContact SD-CG2 4.09Å
258	E	93.5	Very high	87.6	Confident	9 Å²	9	35 Å²	35	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.2	-174.3	-52	-174.3	-166.4	0	0	111.5	M256 G266 K267 R298 V306 I307 R308 F309	M256-E258 HydrophobicContact CE-CG 4.37Å; M256-E258 HydrophobicContact SD-CG 3.31Å; M256-E258 WeakPolarHBondContact SD-CG 3.48Å; E258-G266 CarbonylContact C-O 3.49Å; E258-G266 WeakPolarHBondContact CA-O 3.47Å; E258-K267 HydrophobicContact CB-CD 4.2Å; E258-K267 HydrophobicContact CG-CD 3.67Å; E258-K267 IonicContact OE2-NZ 2.63Å; E258-R298 IonicContact OE1-NH1 2.83Å; E258-R298 PolarHBondContact OE1-NH1 3.11Å; E258-V306 HydrophobicContact CG-CG1 4.48Å; E258-I307 PolarHBondContact N-O 3.45Å; E258-R308 HydrophobicContact CB-CB 4.25Å; E258-R308 HydrophobicContact CB-CG 4.11Å; E258-R308 CarbonylContact O-C 3.44Å; E258-R308 VanDerWaalsContact O-C 3.29Å; E258-R308 VanDerWaalsContact O-CA 3.23Å; E258-R308 WeakPolarHBondContact O-CA 3.24Å; E258-R308 IonicContact OE2-CZ 3.93Å; E258-R308 IonicContact OE2-NE 2.7Å; E258-R308 PolarHBondContact OE2-NE 2.93Å; E258-R308 VanDerWaalsContact OE2-NE 3.11Å; E258-R308 IonicContact OE2-NH2 3.25Å; E258-R308 PolarHBondContact OE2-NH2 2.65Å; E258-F309 PolarHBondContact O-N 3.35Å
259	F	93.4	Very high	88.5	Confident	1 Å²	1	33.6 Å²	33.6	0%	0.004	19%	0.186	C	C	.	.	S	Bend	trans	-112.5	12.8	176.8	-65.6	-93.3	0	0	0	112.4	M226 L242 V245 M257 G266 L268 F309 S312 L313 F314	M226-F259 HydrophobicContact CE-CD2 3.8Å; M226-F259 HydrophobicContact CE-CE2 4.29Å; M226-F259 HydrophobicContact CE-CG 4.34Å; L242-F259 HydrophobicContact CB-CE1 4.34Å; L242-F259 HydrophobicContact CB-CZ 4.35Å; L242-F259 HydrophobicContact CD1-CD2 4.25Å; L242-F259 HydrophobicContact CD1-CE1 4.37Å; L242-F259 HydrophobicContact CD1-CE2 3.85Å; L242-F259 HydrophobicContact CD1-CZ 3.91Å; L242-F259 HydrophobicContact CG-CE1 4.41Å; L242-F259 HydrophobicContact CG-CE2 4.35Å; L242-F259 HydrophobicContact CG-CZ 3.95Å; V245-F259 HydrophobicContact CB-CE1 4.23Å; V245-F259 HydrophobicContact CB-CZ 4.17Å; V245-F259 HydrophobicContact CG1-CE1 4.38Å; V245-F259 HydrophobicContact CG1-CZ 4.09Å; V245-F259 HydrophobicContact CG2-CE1 4.07Å; M257-F259 HydrophobicContact CB-CE2 4.07Å; F259-G266 PolarHBondContact N-O 2.96Å; F259-L268 HydrophobicContact CD2-CB 4.12Å; F259-L268 HydrophobicContact CE2-CB 3.76Å; F259-L268 HydrophobicContact CE2-CD2 3.64Å; F259-L268 HydrophobicContact CE2-CG 4.33Å; F259-L268 HydrophobicContact CZ-CD2 4.15Å; F259-F309 HydrophobicContact CD1-CB 3.83Å; F259-F309 AromaticContact CD1-CD1 3.7Å; F259-F309 HydrophobicContact CD1-CD1 3.7Å; F259-F309 HydrophobicContact CD1-CE1 4.5Å; F259-F309 HydrophobicContact CD1-CG 4.08Å; F259-F309 HydrophobicContact CE1-CB 3.96Å; F259-F309 AromaticContact CE1-CD1 3.86Å; F259-F309 HydrophobicContact CE1-CD1 3.86Å; F259-F309 HydrophobicContact CE1-CE1 4.45Å; F259-F309 HydrophobicContact CE1-CG 4.02Å; F259-S312 CarbonylContact O-C 3.56Å; F259-S312 WeakPolarHBondContact O-CA 3.34Å; F259-L313 HydrophobicContact CB-CB 4.27Å; F259-L313 HydrophobicContact CB-CD1 4.42Å; F259-L313 HydrophobicContact CB-CG 4.38Å; F259-L313 HydrophobicContact CD1-CD1 3.37Å; F259-L313 HydrophobicContact CD1-CG 3.88Å; F259-L313 HydrophobicContact CE1-CD1 3.91Å; F259-L313 HydrophobicContact CG-CD1 4.18Å; F259-L313 PolarHBondContact O-N 2.81Å; F259-F314 HydrophobicContact CB-CD2 3.82Å; F259-F314 HydrophobicContact CB-CE2 3.73Å; F259-F314 HydrophobicContact CG-CE2 4.5Å
260	S	89.1	Confident	89.2	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.			trans	-155.4	148.4	164.7	173.3	0	0	0	0	108.8	L262 K267 D332	S260-L262 VanDerWaalsContact C-N 3.26Å; S260-L262 PolarHBondContact OG-N 3.42Å; S260-L262 VanDerWaalsContact OG-N 3.13Å; S260-K267 PolarHBondContact O-NZ 2.77Å; S260-D332 WeakPolarHBondContact CA-OD2 2.89Å; S260-D332 WeakPolarHBondContact CB-OD2 3.47Å; S260-D332 PolarHBondContact OG-OD2 3.02Å
261	K	83.1	Confident	90	Very high	66 Å²	66	24.3 Å²	24.3	29%	0.287	15%	0.146	S	C	.	.	S	Bend	trans	-77	-13.2	173.5	75.8	-170.7	-177.2	169.6	0	113.3	D332 D333	K261-D332 WeakPolarHBondContact CD-OD1 3.41Å; K261-D332 PolarHBondContact N-OD2 3.44Å; K261-D333 VanDerWaalsContact CE-OD1 3.32Å; K261-D333 WeakPolarHBondContact CE-OD1 3.15Å; K261-D333 IonicContact NZ-OD1 3.99Å; K261-D333 PolarHBondContact NZ-OD1 2.86Å; K261-D333 IonicContact NZ-OD2 3.62Å; K261-D333 PolarHBondContact NZ-OD2 2.79Å
262	L	82.4	Confident	90.7	Very high	22 Å²	22	28.9 Å²	28.9	12%	0.115	14%	0.137	C	C	.	.	S	Bend	trans	-85.5	117.3	-173	-58.5	-178.7	0	0	0	111.3	S260 Y264 I265 H316 D332	S260-L262 VanDerWaalsContact C-N 3.26Å; S260-L262 PolarHBondContact OG-N 3.42Å; S260-L262 VanDerWaalsContact OG-N 3.13Å; L262-Y264 PolarHBondContact O-N 3.37Å; L262-I265 HydrophobicContact CB-CD1 4.04Å; L262-I265 HydrophobicContact CD1-CD1 4.45Å; L262-I265 WeakPolarHBondContact O-CB 3.42Å; L262-I265 PolarHBondContact O-N 3.49Å; L262-H316 HydrophobicContact CD1-CB 3.6Å; L262-D332 HydrophobicContact CD1-CB 3.97Å; L262-D332 HydrophobicContact CG-CB 4.11Å
263	G	77.8	Confident	91.2	Very high	40 Å²	40	28.6 Å²	28.6	41%	0.412	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.5	-130.6	166.9	0	0	0	0	0	114.7	K267 D291	G263-K267 WeakPolarHBondContact O-CE 3.31Å; G263-K267 PolarHBondContact O-NZ 2.88Å; G263-D291 WeakPolarHBondContact CA-OD1 3.32Å
264	Y	81.9	Confident	91.6	Very high	17 Å²	17	21.3 Å²	21.3	7%	0.067	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	5	174.1	44.6	-95.5	0	0	0	114.4	Q207 Y211 E229 L262 K267 D291	Q207-Y264 PolarHBondContact NE2-OH 3.11Å; Y211-Y264 AromaticContact CE2-CD2 3.96Å; Y211-Y264 HydrophobicContact CE2-CD2 3.96Å; Y211-Y264 AromaticContact CE2-CE2 3.78Å; Y211-Y264 HydrophobicContact CE2-CE2 3.78Å; Y211-Y264 HydrophobicContact CE2-CG 4.44Å; Y211-Y264 AromaticContact CZ-CD2 3.69Å; Y211-Y264 AromaticContact CZ-CE2 3.64Å; Y211-Y264 VanDerWaalsContact OH-CD2 3.26Å; Y211-Y264 WeakPolarHBondContact OH-CD2 3.3Å; Y211-Y264 WeakPolarHBondContact OH-CE2 3.06Å; E229-Y264 HydrophobicContact CB-CE2 4.44Å; E229-Y264 VanDerWaalsContact CD-OH 3.22Å; E229-Y264 HydrophobicContact CG-CD2 3.66Å; E229-Y264 HydrophobicContact CG-CE2 3.22Å; E229-Y264 WeakPolarHBondContact OE1-CE2 3.42Å; E229-Y264 VanDerWaalsContact OE1-CZ 3.23Å; E229-Y264 PolarHBondContact OE1-OH 3.45Å; E229-Y264 VanDerWaalsContact OE2-CE2 3.28Å; E229-Y264 WeakPolarHBondContact OE2-CE2 3.26Å; E229-Y264 PolarHBondContact OE2-OH 3.26Å; L262-Y264 PolarHBondContact O-N 3.37Å; Y264-K267 WeakPolarHBondContact O-CG 3.34Å; Y264-D291 WeakPolarHBondContact CD1-OD1 3.44Å; Y264-D291 PolarHBondContact N-OD1 3.26Å
265	I	90.3	Very high	91.8	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	135.3	174.1	-62.2	165.2	0	0	0	109.5	L228 E229 V232 L262 K267 F314 H316	L228-I265 HydrophobicContact CD2-CG2 4.15Å; E229-I265 HydrophobicContact CB-CG1 4.39Å; E229-I265 HydrophobicContact CG-CD1 4.19Å; E229-I265 HydrophobicContact CG-CG1 3.57Å; V232-I265 HydrophobicContact CG1-CG2 4.34Å; V232-I265 HydrophobicContact CG2-CD1 4.05Å; V232-I265 HydrophobicContact CG2-CG1 3.99Å; V232-I265 HydrophobicContact CG2-CG2 4.01Å; L262-I265 HydrophobicContact CB-CD1 4.04Å; L262-I265 HydrophobicContact CD1-CD1 4.45Å; L262-I265 WeakPolarHBondContact O-CB 3.42Å; L262-I265 PolarHBondContact O-N 3.49Å; I265-K267 PolarHBondContact O-N 2.87Å; I265-K267 PolarHBondContact O-NZ 3.47Å; I265-F314 HydrophobicContact CG2-CB 3.61Å; I265-F314 HydrophobicContact CG2-CG 4.43Å; I265-H316 HydrophobicContact CD1-CB 3.8Å
266	G	94.5	Very high	91.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	29.3	168.7	0	0	0	0	0	113.1	M226 M227 E258 F259	M226-G266 WeakPolarHBondContact SD-CA 3.47Å; M227-G266 PolarHBondContact O-N 3.07Å; E258-G266 CarbonylContact C-O 3.49Å; E258-G266 WeakPolarHBondContact CA-O 3.47Å; F259-G266 PolarHBondContact N-O 2.96Å
267	K	95.7	Very high	91.9	Very high	8 Å²	8	28 Å²	28	4%	0.035	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	112.2	-179.8	-54.6	-61.7	-177.9	-86.4	0	110	M227 M256 E258 S260 G263 Y264 I265 Y269 L294	M227-K267 HydrophobicContact CB-CB 4.21Å; M227-K267 PolarHBondContact N-O 3.37Å; M227-K267 PolarHBondContact O-N 3.43Å; M256-K267 HydrophobicContact CE-CD 4.31Å; M256-K267 HydrophobicContact CG-CB 4.39Å; M256-K267 HydrophobicContact CG-CD 4.47Å; M256-K267 HydrophobicContact SD-CD 3.86Å; E258-K267 HydrophobicContact CB-CD 4.2Å; E258-K267 HydrophobicContact CG-CD 3.67Å; E258-K267 IonicContact OE2-NZ 2.63Å; S260-K267 PolarHBondContact O-NZ 2.77Å; G263-K267 WeakPolarHBondContact O-CE 3.31Å; G263-K267 PolarHBondContact O-NZ 2.88Å; Y264-K267 WeakPolarHBondContact O-CG 3.34Å; I265-K267 PolarHBondContact O-N 2.87Å; I265-K267 PolarHBondContact O-NZ 3.47Å; K267-Y269 HydrophobicContact CB-CE2 3.61Å; K267-Y269 WeakPolarHBondContact O-CD2 3.4Å; K267-Y269 WeakPolarHBondContact O-CE2 3.38Å; K267-L294 HydrophobicContact CG-CD1 4.39Å
268	L	97.5	Very high	92.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.9	-178.5	179.9	68.9	0	0	0	110.9	L106 F224 Y225 M226 L242 I246 W254 M256 M257 F259	L106-L268 HydrophobicContact CD1-CD1 3.92Å; F224-L268 HydrophobicContact CB-CD1 3.91Å; Y225-L268 WeakPolarHBondContact O-CA 3.49Å; Y225-L268 WeakPolarHBondContact O-CD1 3.49Å; M226-L268 HydrophobicContact CE-CB 4.01Å; M226-L268 HydrophobicContact CE-CD1 4.21Å; M226-L268 HydrophobicContact SD-CB 4.49Å; L242-L268 HydrophobicContact CD1-CD1 4.02Å; L242-L268 HydrophobicContact CD1-CD2 3.99Å; L242-L268 HydrophobicContact CD1-CG 4.46Å; L242-L268 HydrophobicContact CD2-CD1 4.44Å; L242-L268 HydrophobicContact CD2-CD2 4.4Å; L242-L268 HydrophobicContact CG-CD2 4.12Å; I246-L268 HydrophobicContact CD1-CD2 3.84Å; I246-L268 HydrophobicContact CG1-CD2 3.89Å; W254-L268 HydrophobicContact CH2-CD2 4.32Å; W254-L268 HydrophobicContact CH2-CG 4.38Å; M256-L268 WeakPolarHBondContact CA-O 3.29Å; M257-L268 HydrophobicContact CB-CB 4.37Å; M257-L268 HydrophobicContact CE-CD2 3.54Å; M257-L268 PolarHBondContact N-O 2.92Å; M257-L268 VanDerWaalsContact N-O 3.13Å; M257-L268 PolarHBondContact O-N 3.25Å; F259-L268 HydrophobicContact CD2-CB 4.12Å; F259-L268 HydrophobicContact CE2-CB 3.76Å; F259-L268 HydrophobicContact CE2-CD2 3.64Å; F259-L268 HydrophobicContact CE2-CG 4.33Å; F259-L268 HydrophobicContact CZ-CD2 4.15Å
269	Y	97.3	Very high	92.2	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.4	178.1	-59	-88.7	0	0	0	111	F224 Y225 M227 V255 M256 K267 L274 L277 L294	F224-Y269 WeakPolarHBondContact CA-O 3.3Å; Y225-Y269 HydrophobicContact CD1-CD2 4.15Å; Y225-Y269 PolarHBondContact N-O 3.15Å; Y225-Y269 PolarHBondContact O-N 2.97Å; M227-Y269 HydrophobicContact CB-CE2 4.49Å; M227-Y269 HydrophobicContact CE-CE2 4.48Å; V255-Y269 WeakPolarHBondContact O-CD1 3.39Å; M256-Y269 HydrophobicContact CB-CD1 4.12Å; M256-Y269 HydrophobicContact CB-CE1 3.64Å; M256-Y269 HydrophobicContact CG-CD1 4.39Å; M256-Y269 HydrophobicContact CG-CE1 3.69Å; M256-Y269 HydrophobicContact CG-CE2 4.44Å; K267-Y269 HydrophobicContact CB-CE2 3.61Å; K267-Y269 WeakPolarHBondContact O-CD2 3.4Å; K267-Y269 WeakPolarHBondContact O-CE2 3.38Å; Y269-L274 HydrophobicContact CG-CD2 4.45Å; Y269-L277 HydrophobicContact CD1-CD2 3.96Å; Y269-L277 HydrophobicContact CD2-CD2 4.35Å; Y269-L277 HydrophobicContact CE1-CD2 3.67Å; Y269-L277 HydrophobicContact CE2-CD2 4.09Å; Y269-L277 HydrophobicContact CG-CD2 4.28Å; Y269-L294 WeakPolarHBondContact OH-CD2 2.96Å
270	H	95.9	Very high	92.3	Very high	33 Å²	33	30.2 Å²	30.2	15%	0.153	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	136.8	160.9	-69.6	-74.4	0	0	0	110	F224 W254 R272 D273	F224-H270 AromaticContact CD1-ND1 3.83Å; F224-H270 AromaticContact CE1-CE1 3.51Å; F224-H270 AromaticContact CE1-ND1 3.26Å; F224-H270 VanDerWaalsContact CE1-ND1 3.26Å; F224-H270 WeakPolarHBondContact CE1-ND1 3.44Å; W254-H270 AromaticContact CD2-NE2 3.98Å; W254-H270 AromaticContact CE2-CE1 3.96Å; W254-H270 AromaticContact CE2-NE2 3.38Å; W254-H270 AromaticContact CH2-CD2 3.59Å; W254-H270 AromaticContact CH2-CE1 3.79Å; W254-H270 AromaticContact CH2-CG 3.88Å; W254-H270 AromaticContact CH2-ND1 3.99Å; W254-H270 AromaticContact CH2-NE2 3.57Å; W254-H270 AromaticContact CZ2-CD2 3.73Å; W254-H270 AromaticContact CZ2-CE1 3.36Å; W254-H270 WeakPolarHBondContact CZ2-CE1 3.43Å; W254-H270 AromaticContact CZ2-NE2 3.18Å; W254-H270 WeakPolarHBondContact CZ2-NE2 3.49Å; W254-H270 AromaticContact CZ3-CD2 3.81Å; W254-H270 AromaticContact NE1-NE2 3.89Å; H270-R272 HydrophobicContact CB-CG 3.99Å; H270-R272 PolarHBondContact O-N 3.22Å; H270-R272 VanDerWaalsContact O-N 3.13Å; H270-D273 WeakPolarHBondContact CB-OD2 3.4Å; H270-D273 IonicContact CD2-OD2 2.57Å; H270-D273 PolarHBondContact O-N 2.77Å
271	S	95.7	Very high	92.6	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.028	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-62.7	-25.7	-178.1	-66	0	0	0	0	113.5	S222 H223 F224 D273 L274	S222-S271 WeakPolarHBondContact O-CB 3.37Å; S222-S271 PolarHBondContact O-OG 2.82Å; S222-S271 VanDerWaalsContact O-OG 3.07Å; H223-S271 VanDerWaalsContact C-OG 3.28Å; H223-S271 WeakPolarHBondContact O-CB 2.98Å; H223-S271 PolarHBondContact O-N 2.8Å; H223-S271 PolarHBondContact O-OG 3.5Å; F224-S271 VanDerWaalsContact C-OG 3.31Å; F224-S271 PolarHBondContact N-OG 2.93Å; F224-S271 PolarHBondContact O-OG 3.14Å; S271-D273 PolarHBondContact O-N 3.44Å; S271-L274 WeakPolarHBondContact O-CG 3.42Å; S271-L274 PolarHBondContact O-N 3.19Å
272	R	92.6	Very high	93.2	Very high	184 Å²	184	29 Å²	29	69%	0.694	14%	0.135	S	C	*	.	G	3₁₀ helix	trans	-64.1	-23.4	175.3	72.4	-175.9	174.6	-170.7	-6.4	113.7	H270	H270-R272 HydrophobicContact CB-CG 3.99Å; H270-R272 PolarHBondContact O-N 3.22Å; H270-R272 VanDerWaalsContact O-N 3.13Å
273	D	93.3	Very high	93.8	Very high	41 Å²	41	32.7 Å²	32.7	22%	0.219	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-93.5	-8	-176.6	-61.4	-44.6	0	0	0	112.2	H270 S271 R276 L277	H270-D273 WeakPolarHBondContact CB-OD2 3.4Å; H270-D273 IonicContact CD2-OD2 2.57Å; H270-D273 PolarHBondContact O-N 2.77Å; S271-D273 PolarHBondContact O-N 3.44Å; D273-R276 PolarHBondContact O-N 3.31Å; D273-L277 PolarHBondContact O-N 3.11Å
274	L	96.3	Very high	94.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-40.7	-178	-57.2	-168.6	0	0	0	114.5	L215 C218 Y225 Y269 S271 R276 L277 A278	L215-L274 HydrophobicContact CD2-CD2 3.88Å; C218-L274 HydrophobicContact CB-CD1 4.02Å; Y225-L274 HydrophobicContact CD1-CD1 4.4Å; Y225-L274 HydrophobicContact CD1-CD2 4.01Å; Y225-L274 HydrophobicContact CD2-CD1 3.97Å; Y225-L274 HydrophobicContact CG-CD1 3.77Å; Y225-L274 HydrophobicContact CG-CD2 4.1Å; Y269-L274 HydrophobicContact CG-CD2 4.45Å; S271-L274 WeakPolarHBondContact O-CG 3.42Å; S271-L274 PolarHBondContact O-N 3.19Å; L274-R276 PolarHBondContact O-N 3.43Å; L274-L277 PolarHBondContact O-N 3.3Å; L274-A278 VanDerWaalsContact O-CB 3.29Å; L274-A278 WeakPolarHBondContact O-CB 3.35Å; L274-A278 PolarHBondContact O-N 3.12Å
275	P	95.4	Very high	95.3	Very high	12 Å²	12	34.5 Å²	34.5	8%	0.078	15%	0.15	C	C	.	.	H	α-helix	trans	-57.4	-42.8	177.3	-27.6	37.2	0	0	0	111.6	T219 A278 H279	T219-P275 HydrophobicContact CG2-CG 3.47Å; T219-P275 VanDerWaalsContact CG2-CG 3.47Å; P275-A278 PolarHBondContact O-N 2.76Å; P275-H279 PolarHBondContact O-N 2.96Å; P275-H279 PolarHBondContact O-ND1 3.44Å
276	R	94.8	Very high	95.5	Very high	146 Å²	146	36.6 Å²	36.6	55%	0.551	16%	0.159	S	C	*	.	H	α-helix	trans	-66.4	-43.8	178.9	-168	-178.2	-176.1	167.2	0.5	111.6	D273 L274 H279 F280 F297	D273-R276 PolarHBondContact O-N 3.31Å; L274-R276 PolarHBondContact O-N 3.43Å; R276-H279 PolarHBondContact O-N 3.16Å; R276-F280 WeakPolarHBondContact O-CB 3.36Å; R276-F280 PolarHBondContact O-N 3.42Å; R276-F297 HydrophobicContact CG-CE2 4.15Å; R276-F297 HydrophobicContact CG-CZ 4.49Å
277	L	96.1	Very high	95.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-41.9	177.1	-179.2	59.4	0	0	0	111.8	L215 Y269 D273 L274 H279 F280 L281 L294 F297	L215-L277 HydrophobicContact CD1-CB 4.39Å; L215-L277 HydrophobicContact CD1-CD2 3.79Å; L215-L277 HydrophobicContact CD1-CG 3.72Å; L215-L277 HydrophobicContact CD2-CD2 4.17Å; Y269-L277 HydrophobicContact CD1-CD2 3.96Å; Y269-L277 HydrophobicContact CD2-CD2 4.35Å; Y269-L277 HydrophobicContact CE1-CD2 3.67Å; Y269-L277 HydrophobicContact CE2-CD2 4.09Å; Y269-L277 HydrophobicContact CG-CD2 4.28Å; D273-L277 PolarHBondContact O-N 3.11Å; L274-L277 PolarHBondContact O-N 3.3Å; L277-H279 PolarHBondContact O-N 3.04Å; L277-F280 WeakPolarHBondContact O-CB 3.4Å; L277-F280 PolarHBondContact O-N 3.05Å; L277-L281 HydrophobicContact CD1-CG 4.31Å; L277-L281 WeakPolarHBondContact O-CG 3.44Å; L277-L281 PolarHBondContact O-N 3.46Å; L277-L294 HydrophobicContact CD1-CD2 3.87Å; L277-L294 HydrophobicContact CD2-CD2 4.45Å; L277-F297 HydrophobicContact CB-CE1 4.17Å; L277-F297 HydrophobicContact CB-CE2 4.17Å; L277-F297 HydrophobicContact CB-CZ 3.81Å; L277-F297 HydrophobicContact CD1-CB 4.28Å; L277-F297 HydrophobicContact CD1-CD1 3.73Å; L277-F297 HydrophobicContact CD1-CD2 3.9Å; L277-F297 HydrophobicContact CD1-CE1 3.91Å; L277-F297 HydrophobicContact CD1-CE2 4.08Å; L277-F297 HydrophobicContact CD1-CG 3.7Å; L277-F297 HydrophobicContact CD1-CZ 4.09Å; L277-F297 HydrophobicContact CG-CE1 4.48Å
278	A	97	Very high	95.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-47.5	177.2	0	0	0	0	0	111.4	I88 A212 L215 N216 L274 P275 F280 L281 L282	I88-A278 HydrophobicContact CD1-CB 3.82Å; A212-A278 WeakPolarHBondContact CB-O 3.39Å; A212-A278 WeakPolarHBondContact O-CB 3.42Å; L215-A278 HydrophobicContact CB-CB 3.98Å; N216-A278 HydrophobicContact CB-CB 4.25Å; L274-A278 VanDerWaalsContact O-CB 3.29Å; L274-A278 WeakPolarHBondContact O-CB 3.35Å; L274-A278 PolarHBondContact O-N 3.12Å; P275-A278 PolarHBondContact O-N 2.76Å; A278-F280 VanDerWaalsContact C-N 3.32Å; A278-F280 PolarHBondContact O-N 3.5Å; A278-L281 PolarHBondContact O-N 3.03Å; A278-L282 WeakPolarHBondContact O-CB 3.47Å; A278-L282 PolarHBondContact O-N 3.42Å
279	H	95.7	Very high	94.8	Very high	34 Å²	34	41.6 Å²	41.6	16%	0.157	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-38.7	174.8	-76.6	84.8	0	0	0	112.3	F84 G86 P275 R276 L277 L282 M283	F84-H279 HydrophobicContact CD1-CB 3.8Å; F84-H279 AromaticContact CD1-CD2 3.86Å; F84-H279 AromaticContact CD1-CG 3.91Å; F84-H279 HydrophobicContact CE1-CB 4.28Å; G86-H279 PolarHBondContact O-CE1 3.49Å; P275-H279 PolarHBondContact O-N 2.96Å; P275-H279 PolarHBondContact O-ND1 3.44Å; R276-H279 PolarHBondContact O-N 3.16Å; L277-H279 PolarHBondContact O-N 3.04Å; H279-L282 PolarHBondContact O-N 2.87Å; H279-M283 WeakPolarHBondContact O-CB 3.32Å; H279-M283 PolarHBondContact O-N 3.33Å
280	F	95.9	Very high	94.4	Very high	25 Å²	25	41.6 Å²	41.6	11%	0.11	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-49.1	177.5	-178.1	-97.5	0	0	0	111.6	R276 L277 A278 L282 M283 F284 L293 H296 F297 L300	R276-F280 WeakPolarHBondContact O-CB 3.36Å; R276-F280 PolarHBondContact O-N 3.42Å; L277-F280 WeakPolarHBondContact O-CB 3.4Å; L277-F280 PolarHBondContact O-N 3.05Å; A278-F280 VanDerWaalsContact C-N 3.32Å; A278-F280 PolarHBondContact O-N 3.5Å; F280-L282 VanDerWaalsContact C-N 3.33Å; F280-L282 PolarHBondContact O-N 3.23Å; F280-M283 PolarHBondContact O-N 2.85Å; F280-F284 AromaticContact CD2-CD2 3.69Å; F280-F284 HydrophobicContact CD2-CD2 3.69Å; F280-F284 AromaticContact CD2-CE2 3.64Å; F280-F284 HydrophobicContact CD2-CE2 3.64Å; F280-F284 HydrophobicContact CE1-CD2 4.37Å; F280-F284 AromaticContact CE2-CD2 3.52Å; F280-F284 HydrophobicContact CE2-CD2 3.52Å; F280-F284 AromaticContact CE2-CE2 3.38Å; F280-F284 HydrophobicContact CE2-CE2 3.38Å; F280-F284 HydrophobicContact CE2-CZ 4.4Å; F280-F284 HydrophobicContact CG-CD2 4.21Å; F280-F284 AromaticContact CZ-CD2 3.89Å; F280-F284 HydrophobicContact CZ-CD2 3.89Å; F280-F284 HydrophobicContact CZ-CE2 4.13Å; F280-F284 WeakPolarHBondContact O-CD2 3.28Å; F280-F284 PolarHBondContact O-N 3.24Å; F280-F284 VanDerWaalsContact O-N 3.08Å; F280-L293 HydrophobicContact CE1-CB 3.86Å; F280-L293 HydrophobicContact CE1-CD2 4.12Å; F280-L293 VanDerWaalsContact CE1-O 3.27Å; F280-L293 WeakPolarHBondContact CE1-O 3.43Å; F280-L293 HydrophobicContact CZ-CD2 4.39Å; F280-H296 HydrophobicContact CZ-CB 4.21Å; F280-F297 HydrophobicContact CB-CD2 3.92Å; F280-F297 HydrophobicContact CB-CE2 4.19Å; F280-F297 HydrophobicContact CD1-CB 3.93Å; F280-F297 AromaticContact CD1-CD2 3.85Å; F280-F297 HydrophobicContact CD1-CD2 3.85Å; F280-F297 HydrophobicContact CD1-CG 4.3Å; F280-F297 HydrophobicContact CD2-CD2 4.2Å; F280-F297 HydrophobicContact CE1-CB 3.81Å; F280-F297 HydrophobicContact CE1-CD2 4.44Å; F280-F297 AromaticContact CG-CD2 3.72Å; F280-F297 HydrophobicContact CG-CD2 3.72Å; F280-F297 HydrophobicContact CG-CE2 4.45Å; F280-F297 HydrophobicContact CZ-CB 4.34Å; F280-L300 HydrophobicContact CE2-CD1 3.71Å; F280-L300 HydrophobicContact CZ-CD1 4.14Å
281	L	96.6	Very high	93.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-40.9	176.8	-67	-176.7	0	0	0	112.1	A212 L215 L277 A278 Y285 L293 L294	A212-L281 HydrophobicContact CB-CB 4.12Å; L215-L281 HydrophobicContact CD1-CD1 3.66Å; L277-L281 HydrophobicContact CD1-CG 4.31Å; L277-L281 WeakPolarHBondContact O-CG 3.44Å; L277-L281 PolarHBondContact O-N 3.46Å; A278-L281 PolarHBondContact O-N 3.03Å; L281-Y285 WeakPolarHBondContact O-CA 3.25Å; L281-Y285 WeakPolarHBondContact O-CB 3.46Å; L281-Y285 PolarHBondContact O-N 3.06Å; L281-Y285 VanDerWaalsContact O-N 3.08Å; L281-L293 HydrophobicContact CD2-CB 3.82Å; L281-L293 HydrophobicContact CD2-CD1 3.99Å; L281-L294 HydrophobicContact CD2-CD2 4.25Å
282	L	95.3	Very high	93.6	Very high	40 Å²	40	48 Å²	48	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-39.3	177.4	-175.1	61.1	0	0	0	112	I88 P185 V209 A212 A278 H279 F280 Y285	I88-L282 HydrophobicContact CD1-CD2 3.98Å; I88-L282 HydrophobicContact CG2-CD2 4.15Å; P185-L282 HydrophobicContact CG-CD1 4.07Å; V209-L282 HydrophobicContact CG1-CD1 4.26Å; V209-L282 HydrophobicContact CG2-CD1 4.1Å; A212-L282 HydrophobicContact CB-CB 4.08Å; A278-L282 WeakPolarHBondContact O-CB 3.47Å; A278-L282 PolarHBondContact O-N 3.42Å; H279-L282 PolarHBondContact O-N 2.87Å; F280-L282 VanDerWaalsContact C-N 3.33Å; F280-L282 PolarHBondContact O-N 3.23Å; L282-Y285 WeakPolarHBondContact O-CD1 3.28Å
283	M	94.8	Very high	93.7	Very high	100 Å²	100	39.4 Å²	39.4	49%	0.493	18%	0.18	S	C	.	.	H	α-helix	trans	-65.4	-40.1	179.5	-176.9	-177.2	-71.5	0	0	111.9	F84 H279 F280	F84-M283 HydrophobicContact CD1-CE 4.44Å; F84-M283 HydrophobicContact CE1-CE 3.31Å; F84-M283 HydrophobicContact CE2-CE 4.45Å; F84-M283 HydrophobicContact CZ-CE 3.32Å; H279-M283 WeakPolarHBondContact O-CB 3.32Å; H279-M283 PolarHBondContact O-N 3.33Å; F280-M283 PolarHBondContact O-N 2.85Å
284	F	95.4	Very high	93.7	Very high	73 Å²	73	37.7 Å²	37.7	32%	0.32	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	17.2	-176.6	-66.8	-77.1	0	0	0	113.4	F280 Q286 E287 L293	F280-F284 AromaticContact CD2-CD2 3.69Å; F280-F284 HydrophobicContact CD2-CD2 3.69Å; F280-F284 AromaticContact CD2-CE2 3.64Å; F280-F284 HydrophobicContact CD2-CE2 3.64Å; F280-F284 HydrophobicContact CE1-CD2 4.37Å; F280-F284 AromaticContact CE2-CD2 3.52Å; F280-F284 HydrophobicContact CE2-CD2 3.52Å; F280-F284 AromaticContact CE2-CE2 3.38Å; F280-F284 HydrophobicContact CE2-CE2 3.38Å; F280-F284 HydrophobicContact CE2-CZ 4.4Å; F280-F284 HydrophobicContact CG-CD2 4.21Å; F280-F284 AromaticContact CZ-CD2 3.89Å; F280-F284 HydrophobicContact CZ-CD2 3.89Å; F280-F284 HydrophobicContact CZ-CE2 4.13Å; F280-F284 WeakPolarHBondContact O-CD2 3.28Å; F280-F284 PolarHBondContact O-N 3.24Å; F280-F284 VanDerWaalsContact O-N 3.08Å; F284-Q286 PolarHBondContact O-N 3.06Å; F284-Q286 VanDerWaalsContact O-N 3.1Å; F284-E287 HydrophobicContact CB-CB 4.43Å; F284-E287 HydrophobicContact CB-CG 4.45Å; F284-E287 HydrophobicContact CD1-CB 4.31Å; F284-E287 HydrophobicContact CD1-CG 3.88Å; F284-E287 PolarHBondContact O-N 3.43Å; F284-L293 HydrophobicContact CB-CD1 3.88Å; F284-L293 HydrophobicContact CB-CD2 3.55Å; F284-L293 HydrophobicContact CB-CG 4.39Å; F284-L293 HydrophobicContact CG-CD2 4.19Å
285	Y	95.2	Very high	93.4	Very high	21 Å²	21	42 Å²	42	8%	0.082	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.9	-171.6	85.2	-77.2	0	0	0	113.4	P185 S186 L187 L190 S205 N208 V209 L281 L282	P185-Y285 HydrophobicContact CB-CE1 4.04Å; P185-Y285 HydrophobicContact CB-CE2 4.26Å; P185-Y285 HydrophobicContact CG-CD1 4.33Å; P185-Y285 HydrophobicContact CG-CD2 4.09Å; P185-Y285 HydrophobicContact CG-CE1 3.89Å; P185-Y285 HydrophobicContact CG-CE2 3.69Å; P185-Y285 HydrophobicContact CG-CG 4.4Å; S186-Y285 WeakPolarHBondContact O-CE2 3.44Å; S186-Y285 PolarHBondContact O-OH 3.42Å; L187-Y285 HydrophobicContact CD2-CE2 4.21Å; L190-Y285 HydrophobicContact CD2-CE2 3.87Å; S205-Y285 WeakPolarHBondContact CA-O 3.48Å; S205-Y285 WeakPolarHBondContact CB-O 3.48Å; S205-Y285 PolarHBondContact OG-O 3.25Å; N208-Y285 WeakPolarHBondContact ND2-CA 3.46Å; N208-Y285 PolarHBondContact ND2-O 2.84Å; N208-Y285 VanDerWaalsContact ND2-O 3.1Å; V209-Y285 HydrophobicContact CG2-CD2 3.77Å; V209-Y285 HydrophobicContact CG2-CG 4.01Å; L281-Y285 WeakPolarHBondContact O-CA 3.25Å; L281-Y285 WeakPolarHBondContact O-CB 3.46Å; L281-Y285 PolarHBondContact O-N 3.06Å; L281-Y285 VanDerWaalsContact O-N 3.08Å; L282-Y285 WeakPolarHBondContact O-CD1 3.28Å
286	Q	93.8	Very high	93.3	Very high	46 Å²	46	45.7 Å²	45.7	22%	0.215	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-24.3	177.3	-49.4	-167.2	32.9	0	0	112.9	L190 R204 F284	L190-Q286 HydrophobicContact CD2-CB 4.29Å; L190-Q286 HydrophobicContact CD2-CG 3.68Å; R204-Q286 PolarHBondContact NH1-O 3Å; R204-Q286 VanDerWaalsContact NH1-O 3.13Å; R204-Q286 PolarHBondContact NH2-O 3.23Å; F284-Q286 PolarHBondContact O-N 3.06Å; F284-Q286 VanDerWaalsContact O-N 3.1Å
287	E	92.3	Very high	93.3	Very high	45 Å²	45	39 Å²	39	21%	0.21	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-48.9	-162.7	-56.2	-52.7	155.3	0	0	112.8	K191 N193 Y194 F284	K191-E287 WeakPolarHBondContact CD-OE1 3.35Å; K191-E287 WeakPolarHBondContact CD-OE2 3.47Å; K191-E287 WeakPolarHBondContact CE-OE1 3.41Å; K191-E287 IonicContact NZ-OE1 3.39Å; K191-E287 PolarHBondContact NZ-OE1 3.27Å; K191-E287 IonicContact NZ-OE2 2.67Å; N193-E287 WeakPolarHBondContact ND2-CA 3.39Å; N193-E287 PolarHBondContact ND2-O 3.24Å; N193-E287 PolarHBondContact ND2-OE2 2.9Å; Y194-E287 VanDerWaalsContact CE2-O 3.3Å; Y194-E287 WeakPolarHBondContact CE2-O 3.41Å; F284-E287 HydrophobicContact CB-CB 4.43Å; F284-E287 HydrophobicContact CB-CG 4.45Å; F284-E287 HydrophobicContact CD1-CB 4.31Å; F284-E287 HydrophobicContact CD1-CG 3.88Å; F284-E287 PolarHBondContact O-N 3.43Å
288	M	91.1	Very high	93.2	Very high	43 Å²	43	40.1 Å²	40.1	21%	0.212	19%	0.188	C	C	.	.	S	Bend	trans	-145.3	158.9	-171.9	-49	-178.4	123.7	0	0	112	Y194 N208 W292 L293	Y194-M288 HydrophobicContact CE2-CG 4.37Å; Y194-M288 WeakPolarHBondContact OH-CE 3.33Å; Y194-M288 WeakPolarHBondContact OH-CG 3.5Å; N208-M288 PolarHBondContact ND2-O 2.93Å; M288-W292 HydrophobicContact CB-CB 4.41Å; M288-W292 HydrophobicContact CE-CE3 4.27Å; M288-L293 HydrophobicContact CB-CD2 3.91Å; M288-L293 HydrophobicContact CB-CG 4.05Å; M288-L293 HydrophobicContact CG-CD2 4.24Å; M288-L293 HydrophobicContact SD-CD2 4.16Å
289	P	90.4	Very high	92.9	Very high	26 Å²	26	42 Å²	42	17%	0.169	21%	0.207	C	C	.	.			trans	-61.6	154.5	168.1	-15.7	27.4	0	0	0	112.9	R204 D291 W292 L293	R204-P289 HydrophobicContact CB-CB 4.48Å; P289-D291 VanDerWaalsContact C-N 3.34Å; P289-D291 PolarHBondContact O-N 2.81Å; P289-W292 PolarHBondContact O-N 3.26Å; P289-W292 VanDerWaalsContact O-N 3.16Å; P289-L293 PolarHBondContact O-N 3.28Å
290	C	88.7	Confident	92.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-54	-46.2	-177.2	-170	0	0	0	0	112.8	N208 W292 L293 L294	N208-C290 WeakPolarHBondContact OD1-CA 3.44Å; N208-C290 WeakPolarHBondContact OD1-CB 3.37Å; N208-C290 PolarHBondContact OD1-N 2.89Å; C290-W292 PolarHBondContact O-N 3.12Å; C290-L293 WeakPolarHBondContact O-CA 3.41Å; C290-L293 WeakPolarHBondContact O-CB 3.36Å; C290-L293 PolarHBondContact O-N 3.31Å; C290-L294 WeakPolarHBondContact O-CG 3.48Å; C290-L294 PolarHBondContact O-N 3.3Å
291	D	85.3	Confident	92.6	Very high	50 Å²	50	46.2 Å²	46.2	27%	0.267	23%	0.231	S	C	.	.	H	α-helix	trans	-51.9	-43.1	-179.9	-66	-65.8	0	0	0	113	G263 Y264 P289	G263-D291 WeakPolarHBondContact CA-OD1 3.32Å; Y264-D291 WeakPolarHBondContact CD1-OD1 3.44Å; Y264-D291 PolarHBondContact N-OD1 3.26Å; P289-D291 VanDerWaalsContact C-N 3.34Å; P289-D291 PolarHBondContact O-N 2.81Å
292	W	90.4	Very high	92.4	Very high	122 Å²	122	50 Å²	50	46%	0.462	26%	0.263	S	S	.	.	H	α-helix	trans	-74.3	-39.1	-178.1	-65.6	12.2	0	0	0	110.5	Y194 M288 P289 C290 L294 I295 H296	Y194-W292 HydrophobicContact CD1-CZ3 4.29Å; Y194-W292 HydrophobicContact CE1-CH2 4.44Å; Y194-W292 AromaticContact CE1-CZ3 3.68Å; Y194-W292 HydrophobicContact CE1-CZ3 3.68Å; Y194-W292 HydrophobicContact CE2-CZ3 4.27Å; Y194-W292 AromaticContact CZ-CZ3 3.67Å; M288-W292 HydrophobicContact CB-CB 4.41Å; M288-W292 HydrophobicContact CE-CE3 4.27Å; P289-W292 PolarHBondContact O-N 3.26Å; P289-W292 VanDerWaalsContact O-N 3.16Å; C290-W292 PolarHBondContact O-N 3.12Å; W292-L294 VanDerWaalsContact C-N 3.31Å; W292-L294 PolarHBondContact O-N 3.32Å; W292-I295 WeakPolarHBondContact O-CB 3.42Å; W292-I295 PolarHBondContact O-N 2.98Å; W292-H296 PolarHBondContact O-CD2 3.16Å; W292-H296 PolarHBondContact O-N 2.94Å; W292-H296 VanDerWaalsContact O-N 3.11Å
293	L	93.8	Very high	92.2	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-40.5	174.9	-68	179.5	0	0	0	111.6	F280 L281 F284 M288 P289 C290 I295 H296 F297	F280-L293 HydrophobicContact CE1-CB 3.86Å; F280-L293 HydrophobicContact CE1-CD2 4.12Å; F280-L293 VanDerWaalsContact CE1-O 3.27Å; F280-L293 WeakPolarHBondContact CE1-O 3.43Å; F280-L293 HydrophobicContact CZ-CD2 4.39Å; L281-L293 HydrophobicContact CD2-CB 3.82Å; L281-L293 HydrophobicContact CD2-CD1 3.99Å; F284-L293 HydrophobicContact CB-CD1 3.88Å; F284-L293 HydrophobicContact CB-CD2 3.55Å; F284-L293 HydrophobicContact CB-CG 4.39Å; F284-L293 HydrophobicContact CG-CD2 4.19Å; M288-L293 HydrophobicContact CB-CD2 3.91Å; M288-L293 HydrophobicContact CB-CG 4.05Å; M288-L293 HydrophobicContact CG-CD2 4.24Å; M288-L293 HydrophobicContact SD-CD2 4.16Å; P289-L293 PolarHBondContact O-N 3.28Å; C290-L293 WeakPolarHBondContact O-CA 3.41Å; C290-L293 WeakPolarHBondContact O-CB 3.36Å; C290-L293 PolarHBondContact O-N 3.31Å; L293-I295 VanDerWaalsContact C-N 3.29Å; L293-I295 PolarHBondContact O-N 2.88Å; L293-H296 PolarHBondContact O-N 2.93Å; L293-F297 WeakPolarHBondContact O-CB 3.45Å; L293-F297 PolarHBondContact O-N 2.74Å
294	L	92.8	Very high	91.7	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-37.2	177.9	-61.9	-175	0	0	0	112.6	M227 K267 Y269 L277 L281 C290 W292 R298	M227-L294 HydrophobicContact SD-CD1 4.15Å; K267-L294 HydrophobicContact CG-CD1 4.39Å; Y269-L294 WeakPolarHBondContact OH-CD2 2.96Å; L277-L294 HydrophobicContact CD1-CD2 3.87Å; L277-L294 HydrophobicContact CD2-CD2 4.45Å; L281-L294 HydrophobicContact CD2-CD2 4.25Å; C290-L294 WeakPolarHBondContact O-CG 3.48Å; C290-L294 PolarHBondContact O-N 3.3Å; W292-L294 VanDerWaalsContact C-N 3.31Å; W292-L294 PolarHBondContact O-N 3.32Å; L294-R298 WeakPolarHBondContact O-CB 3.28Å; L294-R298 PolarHBondContact O-N 3.26Å; L294-R298 VanDerWaalsContact O-N 3.11Å
295	I	91.3	Very high	91.1	Very high	92 Å²	92	55 Å²	55	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-64.7	-46.2	175.1	-61.7	168	0	0	0	110.1	W292 L293 R298 G299	W292-I295 WeakPolarHBondContact O-CB 3.42Å; W292-I295 PolarHBondContact O-N 2.98Å; L293-I295 VanDerWaalsContact C-N 3.29Å; L293-I295 PolarHBondContact O-N 2.88Å; I295-R298 PolarHBondContact O-N 2.9Å; I295-G299 PolarHBondContact O-N 3.32Å
296	H	93.8	Very high	90.6	Very high	89 Å²	89	56.3 Å²	56.3	41%	0.412	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-42.1	177.6	-71.9	-61	0	0	0	112.4	F280 W292 L293 R298 G299 L300	F280-H296 HydrophobicContact CZ-CB 4.21Å; W292-H296 PolarHBondContact O-CD2 3.16Å; W292-H296 PolarHBondContact O-N 2.94Å; W292-H296 VanDerWaalsContact O-N 3.11Å; L293-H296 PolarHBondContact O-N 2.93Å; H296-R298 VanDerWaalsContact C-N 3.34Å; H296-R298 PolarHBondContact O-N 3.35Å; H296-G299 PolarHBondContact O-N 3.12Å; H296-L300 WeakPolarHBondContact O-CB 3.39Å; H296-L300 VanDerWaalsContact O-CG 3.24Å; H296-L300 WeakPolarHBondContact O-CG 3.36Å; H296-L300 PolarHBondContact O-N 2.92Å
297	F	94	Very high	90.3	Very high	5 Å²	5	55.6 Å²	55.6	2%	0.022	29%	0.293	C	S	.	.	H	α-helix	trans	-57.2	-48.1	176.6	-178	-101.4	0	0	0	111.4	V255 R276 L277 F280 L293 G299 L300 L301	V255-F297 HydrophobicContact CG1-CD1 3.94Å; V255-F297 HydrophobicContact CG1-CE1 3.73Å; R276-F297 HydrophobicContact CG-CE2 4.15Å; R276-F297 HydrophobicContact CG-CZ 4.49Å; L277-F297 HydrophobicContact CB-CE1 4.17Å; L277-F297 HydrophobicContact CB-CE2 4.17Å; L277-F297 HydrophobicContact CB-CZ 3.81Å; L277-F297 HydrophobicContact CD1-CB 4.28Å; L277-F297 HydrophobicContact CD1-CD1 3.73Å; L277-F297 HydrophobicContact CD1-CD2 3.9Å; L277-F297 HydrophobicContact CD1-CE1 3.91Å; L277-F297 HydrophobicContact CD1-CE2 4.08Å; L277-F297 HydrophobicContact CD1-CG 3.7Å; L277-F297 HydrophobicContact CD1-CZ 4.09Å; L277-F297 HydrophobicContact CG-CE1 4.48Å; F280-F297 HydrophobicContact CB-CD2 3.92Å; F280-F297 HydrophobicContact CB-CE2 4.19Å; F280-F297 HydrophobicContact CD1-CB 3.93Å; F280-F297 AromaticContact CD1-CD2 3.85Å; F280-F297 HydrophobicContact CD1-CD2 3.85Å; F280-F297 HydrophobicContact CD1-CG 4.3Å; F280-F297 HydrophobicContact CD2-CD2 4.2Å; F280-F297 HydrophobicContact CE1-CB 3.81Å; F280-F297 HydrophobicContact CE1-CD2 4.44Å; F280-F297 AromaticContact CG-CD2 3.72Å; F280-F297 HydrophobicContact CG-CD2 3.72Å; F280-F297 HydrophobicContact CG-CE2 4.45Å; F280-F297 HydrophobicContact CZ-CB 4.34Å; L293-F297 WeakPolarHBondContact O-CB 3.45Å; L293-F297 PolarHBondContact O-N 2.74Å; F297-G299 PolarHBondContact O-N 3.42Å; F297-L300 PolarHBondContact O-N 3.1Å; F297-L301 HydrophobicContact CD1-CD1 4.04Å; F297-L301 HydrophobicContact CD2-CD1 4.44Å; F297-L301 HydrophobicContact CE1-CD1 3.48Å; F297-L301 VanDerWaalsContact CE1-CD1 3.48Å; F297-L301 HydrophobicContact CE2-CD1 3.94Å; F297-L301 HydrophobicContact CZ-CD1 3.43Å; F297-L301 VanDerWaalsContact CZ-CD1 3.43Å; F297-L301 WeakPolarHBondContact O-CG 3.47Å; F297-L301 PolarHBondContact O-N 2.92Å; F297-L301 VanDerWaalsContact O-N 3.16Å
298	R	93	Very high	90.1	Very high	23 Å²	23	55.6 Å²	55.6	9%	0.087	29%	0.292	C	S	.	.	H	α-helix	trans	-58.3	-48.2	176.2	-169.2	-167	72.2	-155.7	4.1	111.8	M256 E258 L294 I295 H296 L301 Q303 K304	M256-R298 HydrophobicContact CE-CB 4.41Å; E258-R298 IonicContact OE1-NH1 2.83Å; E258-R298 PolarHBondContact OE1-NH1 3.11Å; L294-R298 WeakPolarHBondContact O-CB 3.28Å; L294-R298 PolarHBondContact O-N 3.26Å; L294-R298 VanDerWaalsContact O-N 3.11Å; I295-R298 PolarHBondContact O-N 2.9Å; H296-R298 VanDerWaalsContact C-N 3.34Å; H296-R298 PolarHBondContact O-N 3.35Å; R298-L301 CarbonylContact O-C 3.06Å; R298-L301 PolarHBondContact O-N 3.15Å; R298-Q303 CarbonylContact C-O 3.57Å; R298-Q303 HydrophobicContact CG-CB 3.79Å; R298-Q303 HydrophobicContact CG-CG 3.86Å; R298-Q303 WeakPolarHBondContact CG-O 3.42Å; R298-Q303 PolarHBondContact NE-O 3.34Å; R298-Q303 PolarHBondContact O-N 3.04Å; R298-Q303 VanDerWaalsContact O-N 3.15Å; R298-K304 PolarHBondContact NH2-O 3.41Å
299	G	92.1	Very high	89.6	Confident	39 Å²	39	54.1 Å²	54.1	40%	0.402	28%	0.284	S	S	.	.	H	α-helix	trans	-64.5	-41.6	180	0	0	0	0	0	113.6	I295 H296 F297 L301 A302	I295-G299 PolarHBondContact O-N 3.32Å; H296-G299 PolarHBondContact O-N 3.12Å; F297-G299 PolarHBondContact O-N 3.42Å; G299-L301 PolarHBondContact O-N 3.06Å; G299-A302 PolarHBondContact O-N 3.17Å; G299-A302 VanDerWaalsContact O-N 3.07Å
300	L	93.4	Very high	88.8	Confident	129 Å²	129	54.6 Å²	54.6	68%	0.675	28%	0.283	S	S	*	.	H	α-helix	trans	-64.1	-27.6	176.4	-73.3	170.7	0	0	0	112.5	F280 H296 F297 A302	F280-L300 HydrophobicContact CE2-CD1 3.71Å; F280-L300 HydrophobicContact CZ-CD1 4.14Å; H296-L300 WeakPolarHBondContact O-CB 3.39Å; H296-L300 VanDerWaalsContact O-CG 3.24Å; H296-L300 WeakPolarHBondContact O-CG 3.36Å; H296-L300 PolarHBondContact O-N 2.92Å; F297-L300 PolarHBondContact O-N 3.1Å; L300-A302 PolarHBondContact O-N 2.95Å
301	L	92.3	Very high	88.4	Confident	19 Å²	19	55.3 Å²	55.3	10%	0.099	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	23.2	174.8	-64.1	-176.7	0	0	0	113.2	Y253 V255 F297 R298 G299 Q303	Y253-L301 WeakPolarHBondContact CE1-O 3.32Å; Y253-L301 PolarHBondContact OH-O 2.78Å; V255-L301 HydrophobicContact CB-CB 4.4Å; V255-L301 HydrophobicContact CG1-CB 4.1Å; V255-L301 HydrophobicContact CG1-CD1 3.54Å; V255-L301 HydrophobicContact CG1-CG 4.4Å; V255-L301 HydrophobicContact CG2-CB 3.44Å; V255-L301 VanDerWaalsContact CG2-CB 3.44Å; V255-L301 HydrophobicContact CG2-CD1 4.14Å; V255-L301 HydrophobicContact CG2-CG 4.44Å; F297-L301 HydrophobicContact CD1-CD1 4.04Å; F297-L301 HydrophobicContact CD2-CD1 4.44Å; F297-L301 HydrophobicContact CE1-CD1 3.48Å; F297-L301 VanDerWaalsContact CE1-CD1 3.48Å; F297-L301 HydrophobicContact CE2-CD1 3.94Å; F297-L301 HydrophobicContact CZ-CD1 3.43Å; F297-L301 VanDerWaalsContact CZ-CD1 3.43Å; F297-L301 WeakPolarHBondContact O-CG 3.47Å; F297-L301 PolarHBondContact O-N 2.92Å; F297-L301 VanDerWaalsContact O-N 3.16Å; R298-L301 CarbonylContact O-C 3.06Å; R298-L301 PolarHBondContact O-N 3.15Å; G299-L301 PolarHBondContact O-N 3.06Å; L301-Q303 PolarHBondContact O-N 3.3Å; L301-Q303 VanDerWaalsContact O-N 3.14Å
302	A	91.4	Very high	88.5	Confident	81 Å²	81	52.9 Å²	52.9	67%	0.669	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	17.5	174.4	0	0	0	0	0	115.5	G299 L300	G299-A302 PolarHBondContact O-N 3.17Å; G299-A302 VanDerWaalsContact O-N 3.07Å; L300-A302 PolarHBondContact O-N 2.95Å
303	Q	90.9	Very high	88.5	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.056	25%	0.254	C	S	.	.			trans	-95.6	94.1	165.3	-179.3	-174.5	-33.2	0	0	109.1	V255 M256 R298 L301 D305	V255-Q303 HydrophobicContact CB-CB 4.31Å; V255-Q303 HydrophobicContact CG2-CB 3.96Å; M256-Q303 PolarHBondContact O-NE2 2.7Å; R298-Q303 CarbonylContact C-O 3.57Å; R298-Q303 HydrophobicContact CG-CB 3.79Å; R298-Q303 HydrophobicContact CG-CG 3.86Å; R298-Q303 WeakPolarHBondContact CG-O 3.42Å; R298-Q303 PolarHBondContact NE-O 3.34Å; R298-Q303 PolarHBondContact O-N 3.04Å; R298-Q303 VanDerWaalsContact O-N 3.15Å; L301-Q303 PolarHBondContact O-N 3.3Å; L301-Q303 VanDerWaalsContact O-N 3.14Å; Q303-D305 WeakPolarHBondContact CG-O 3.45Å; Q303-D305 PolarHBondContact NE2-O 2.97Å
304	K	83.8	Confident	88.5	Confident	176 Å²	176	47 Å²	47	77%	0.765	25%	0.253	S	S	*	.			trans	-73.4	-46.7	177.4	-67.5	-175.1	178.1	-178.5	0	111.3	R298	R298-K304 PolarHBondContact NH2-O 3.41Å
305	D	82.8	Confident	88.4	Confident	128 Å²	128	47.6 Å²	47.6	68%	0.684	26%	0.255	S	S	*	.	S	Bend	trans	-76.5	142.9	-172.8	-54	-41.6	0	0	0	112.4	Q303 I307	Q303-D305 WeakPolarHBondContact CG-O 3.45Å; Q303-D305 PolarHBondContact NE2-O 2.97Å; D305-I307 PolarHBondContact O-N 3.43Å
306	V	85.5	Confident	88.3	Confident	49 Å²	49	43.7 Å²	43.7	30%	0.297	24%	0.235	S	C	.	.			trans	-75.6	120.5	173	178.9	0	0	0	0	107.9	E258 R308 V369	E258-V306 HydrophobicContact CG-CG1 4.48Å; V306-R308 HydrophobicContact CG1-CB 4.01Å; V306-R308 PolarHBondContact O-N 3.42Å; V306-V369 HydrophobicContact CB-CG2 4.38Å; V306-V369 HydrophobicContact CG1-CG2 4.22Å
307	I	87.8	Confident	87.9	Confident	31 Å²	31	41.8 Å²	41.8	16%	0.159	23%	0.227	C	C	.	.			trans	-99.5	82.8	171.3	-55	173.3	0	0	0	106.9	W254 M257 E258 D305	W254-I307 HydrophobicContact CB-CD1 3.7Å; M257-I307 CarbonylContact C-O 3.53Å; M257-I307 WeakPolarHBondContact CA-O 3.23Å; M257-I307 HydrophobicContact CG-CB 4.2Å; M257-I307 HydrophobicContact CG-CG2 3.83Å; M257-I307 HydrophobicContact SD-CG2 4.09Å; E258-I307 PolarHBondContact N-O 3.45Å; D305-I307 PolarHBondContact O-N 3.43Å
308	R	86.7	Confident	87.1	Confident	46 Å²	46	41.6 Å²	41.6	17%	0.174	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-88.6	168.6	175.4	-167.3	162.9	-66.3	148.5	0.6	110.5	E258 V306 T368 V369	E258-R308 HydrophobicContact CB-CB 4.25Å; E258-R308 HydrophobicContact CB-CG 4.11Å; E258-R308 CarbonylContact O-C 3.44Å; E258-R308 VanDerWaalsContact O-C 3.29Å; E258-R308 VanDerWaalsContact O-CA 3.23Å; E258-R308 WeakPolarHBondContact O-CA 3.24Å; E258-R308 IonicContact OE2-CZ 3.93Å; E258-R308 IonicContact OE2-NE 2.7Å; E258-R308 PolarHBondContact OE2-NE 2.93Å; E258-R308 VanDerWaalsContact OE2-NE 3.11Å; E258-R308 IonicContact OE2-NH2 3.25Å; E258-R308 PolarHBondContact OE2-NH2 2.65Å; V306-R308 HydrophobicContact CG1-CB 4.01Å; V306-R308 PolarHBondContact O-N 3.42Å; R308-T368 WeakPolarHBondContact O-CB 3.39Å; R308-T368 PolarHBondContact O-OG1 2.98Å; R308-V369 HydrophobicContact CB-CG2 3.96Å
309	F	82	Confident	85.9	Confident	11 Å²	11	44.7 Å²	44.7	5%	0.048	24%	0.239	C	C	.	.			trans	-130.2	143	170.9	-177.7	-111.7	0	0	0	109.9	V245 E258 F259 L313 I342	V245-F309 HydrophobicContact CG1-CD2 4.39Å; V245-F309 HydrophobicContact CG2-CD1 4.21Å; V245-F309 HydrophobicContact CG2-CD2 3.34Å; V245-F309 HydrophobicContact CG2-CE1 3.94Å; V245-F309 HydrophobicContact CG2-CE2 3.09Å; V245-F309 HydrophobicContact CG2-CG 3.85Å; V245-F309 HydrophobicContact CG2-CZ 3.32Å; E258-F309 PolarHBondContact O-N 3.35Å; F259-F309 HydrophobicContact CD1-CB 3.83Å; F259-F309 AromaticContact CD1-CD1 3.7Å; F259-F309 HydrophobicContact CD1-CD1 3.7Å; F259-F309 HydrophobicContact CD1-CE1 4.5Å; F259-F309 HydrophobicContact CD1-CG 4.08Å; F259-F309 HydrophobicContact CE1-CB 3.96Å; F259-F309 AromaticContact CE1-CD1 3.86Å; F259-F309 HydrophobicContact CE1-CD1 3.86Å; F259-F309 HydrophobicContact CE1-CE1 4.45Å; F259-F309 HydrophobicContact CE1-CG 4.02Å; F309-L313 HydrophobicContact CD1-CG 4.33Å; F309-L313 HydrophobicContact CE1-CD2 4.23Å; F309-L313 HydrophobicContact CE1-CG 4.4Å; F309-I342 HydrophobicContact CE1-CB 4.42Å; F309-I342 HydrophobicContact CE1-CD1 3.89Å; F309-I342 HydrophobicContact CE1-CG2 3.48Å; F309-I342 VanDerWaalsContact CE1-CG2 3.48Å; F309-I342 HydrophobicContact CE2-CG2 3.65Å; F309-I342 HydrophobicContact CZ-CB 3.96Å; F309-I342 HydrophobicContact CZ-CD1 4.22Å; F309-I342 HydrophobicContact CZ-CG2 2.97Å
310	K	73.8	Confident	85.1	Confident	36 Å²	36	45.9 Å²	45.9	16%	0.157	23%	0.232	C	C	.	.	S	Bend	trans	-128.7	137.8	178.5	-86.5	-179.7	-174.8	-131.9	0	110.5	D334 I342 T368 D370	K310-D334 VanDerWaalsContact CE-CG 3.44Å; K310-D334 WeakPolarHBondContact CE-OD1 3.24Å; K310-D334 WeakPolarHBondContact CE-OD2 3.33Å; K310-D334 HydrophobicContact CG-CB 4.28Å; K310-D334 IonicContact NZ-OD1 3.71Å; K310-D334 PolarHBondContact NZ-OD1 2.9Å; K310-D334 IonicContact NZ-OD2 2.77Å; K310-D334 PolarHBondContact NZ-OD2 3.12Å; K310-I342 WeakPolarHBondContact O-CG2 2.93Å; K310-T368 WeakPolarHBondContact CD-O 3.36Å; K310-T368 WeakPolarHBondContact CE-O 3.5Å; K310-T368 WeakPolarHBondContact CG-O 3.15Å; K310-D370 VanDerWaalsContact NZ-CA 3.33Å; K310-D370 VanDerWaalsContact NZ-CG 3.27Å; K310-D370 IonicContact NZ-OD1 3.8Å; K310-D370 PolarHBondContact NZ-OD1 2.81Å
311	P	79.8	Confident	84.1	Confident	15 Å²	15	41.4 Å²	41.4	10%	0.097	21%	0.211	C	C	.	.	S	Bend	cis	-68.6	159.9	-3.4	29.6	-31.4	0	0	0	112.2	D334 E336 I342	P311-D334 CarbonylContact C-O 3.58Å; P311-D334 VanDerWaalsContact CA-O 3.27Å; P311-D334 WeakPolarHBondContact CA-O 3.22Å; P311-D334 WeakPolarHBondContact CB-O 3.43Å; P311-E336 HydrophobicContact CB-CB 3.83Å; P311-E336 HydrophobicContact CB-CG 3.8Å; P311-E336 HydrophobicContact CG-CB 3.99Å; P311-E336 HydrophobicContact CG-CG 4.26Å; P311-I342 VanDerWaalsContact CD-CG2 3.48Å; P311-I342 HydrophobicContact CG-CD1 4.4Å; P311-I342 HydrophobicContact CG-CG1 4.15Å
312	S	87.3	Confident	83.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-62.9	135.5	175.1	-71.3	0	0	0	0	109.4	F259 D332 D334 F335	F259-S312 CarbonylContact O-C 3.56Å; F259-S312 WeakPolarHBondContact O-CA 3.34Å; S312-D332 WeakPolarHBondContact CB-OD2 3.33Å; S312-D332 VanDerWaalsContact OG-CG 3.24Å; S312-D332 PolarHBondContact OG-OD1 3.21Å; S312-D332 PolarHBondContact OG-OD2 3.4Å; S312-D334 PolarHBondContact N-O 2.81Å; S312-F335 VanDerWaalsContact O-CD2 3.26Å; S312-F335 WeakPolarHBondContact O-CD2 3.28Å
313	L	91.1	Very high	82.7	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	19%	0.191	C	C	.	.	S	Bend	trans	-88.3	-9.3	-178.9	-61.2	-176.5	0	0	0	113	S235 F238 A241 F259 F309 I342	S235-L313 WeakPolarHBondContact CB-O 3.39Å; S235-L313 PolarHBondContact N-O 3.17Å; S235-L313 VanDerWaalsContact OG-CA 3.27Å; S235-L313 WeakPolarHBondContact OG-CA 3.43Å; S235-L313 WeakPolarHBondContact OG-CB 3.26Å; S235-L313 WeakPolarHBondContact OG-CD2 3.37Å; S235-L313 PolarHBondContact OG-O 2.83Å; F238-L313 HydrophobicContact CB-CB 4.32Å; F238-L313 HydrophobicContact CB-CD1 4.24Å; A241-L313 HydrophobicContact CB-CD1 3.92Å; A241-L313 HydrophobicContact CB-CD2 3.91Å; F259-L313 HydrophobicContact CB-CB 4.27Å; F259-L313 HydrophobicContact CB-CD1 4.42Å; F259-L313 HydrophobicContact CB-CG 4.38Å; F259-L313 HydrophobicContact CD1-CD1 3.37Å; F259-L313 HydrophobicContact CD1-CG 3.88Å; F259-L313 HydrophobicContact CE1-CD1 3.91Å; F259-L313 HydrophobicContact CG-CD1 4.18Å; F259-L313 PolarHBondContact O-N 2.81Å; F309-L313 HydrophobicContact CD1-CG 4.33Å; F309-L313 HydrophobicContact CE1-CD2 4.23Å; F309-L313 HydrophobicContact CE1-CG 4.4Å; L313-I342 HydrophobicContact CD2-CD1 3.78Å
314	F	93.7	Very high	82.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.2	-171.8	-56	-69.3	0	0	0	111.4	M226 L228 V232 R233 C234 F238 F259 I265	M226-F314 HydrophobicContact CE-CE2 3.65Å; M226-F314 HydrophobicContact CE-CZ 3.98Å; M226-F314 HydrophobicContact CG-CE2 4.33Å; M226-F314 HydrophobicContact CG-CZ 4.19Å; M226-F314 HydrophobicContact SD-CE2 3.85Å; M226-F314 HydrophobicContact SD-CZ 4.28Å; L228-F314 HydrophobicContact CD1-CD1 4.06Å; L228-F314 HydrophobicContact CD1-CE1 3.89Å; L228-F314 HydrophobicContact CD2-CB 4.34Å; L228-F314 HydrophobicContact CD2-CD1 3.72Å; L228-F314 HydrophobicContact CD2-CD2 3.91Å; L228-F314 HydrophobicContact CD2-CE1 3.96Å; L228-F314 HydrophobicContact CD2-CE2 4.13Å; L228-F314 HydrophobicContact CD2-CG 3.7Å; L228-F314 HydrophobicContact CD2-CZ 4.15Å; V232-F314 HydrophobicContact CG1-CB 3.74Å; V232-F314 HydrophobicContact CG1-CD1 4.05Å; V232-F314 HydrophobicContact CG1-CG 4.3Å; R233-F314 WeakPolarHBondContact O-CA 3.28Å; C234-F314 HydrophobicContact CB-CD1 4.41Å; C234-F314 HydrophobicContact CB-CE1 4.45Å; F238-F314 HydrophobicContact CD2-CE1 4.07Å; F238-F314 AromaticContact CD2-CZ 3.9Å; F238-F314 HydrophobicContact CD2-CZ 3.9Å; F238-F314 HydrophobicContact CE2-CZ 4.47Å; F238-F314 HydrophobicContact CG-CE1 4.26Å; F238-F314 HydrophobicContact CG-CZ 4.4Å; F259-F314 HydrophobicContact CB-CD2 3.82Å; F259-F314 HydrophobicContact CB-CE2 3.73Å; F259-F314 HydrophobicContact CG-CE2 4.5Å; I265-F314 HydrophobicContact CG2-CB 3.61Å; I265-F314 HydrophobicContact CG2-CG 4.43Å
315	Q	90.3	Very high	81.1	Confident	17 Å²	17	36 Å²	36	8%	0.079	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.2	-179.5	176.7	55.3	79.5	0	0	111.5	V232 R233 M317 K331 D332 F335	V232-Q315 CarbonylContact C-O 3.57Å; V232-Q315 WeakPolarHBondContact CA-O 3.47Å; R233-Q315 PolarHBondContact N-O 3.11Å; R233-Q315 PolarHBondContact O-N 3.12Å; Q315-M317 PolarHBondContact O-N 2.8Å; Q315-K331 HydrophobicContact CG-CD 4.48Å; Q315-D332 PolarHBondContact OE1-O 3.08Å; Q315-F335 HydrophobicContact CB-CB 4.1Å; Q315-F335 HydrophobicContact CB-CD1 3.51Å; Q315-F335 HydrophobicContact CB-CD2 3.63Å; Q315-F335 HydrophobicContact CB-CE1 3.69Å; Q315-F335 HydrophobicContact CB-CE2 3.82Å; Q315-F335 HydrophobicContact CB-CG 3.48Å; Q315-F335 VanDerWaalsContact CB-CG 3.48Å; Q315-F335 HydrophobicContact CB-CZ 3.85Å; Q315-F335 HydrophobicContact CG-CD1 3.93Å; Q315-F335 HydrophobicContact CG-CE1 4.28Å; Q315-F335 HydrophobicContact CG-CG 4.2Å
316	H	88.4	Confident	80.5	Confident	11 Å²	11	34 Å²	34	5%	0.051	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	125.1	167.1	-179.1	-102.1	0	0	0	111.5	D231 L262 I265 G318 N328 L330 K331	D231-H316 IonicContact OD1-CD2 3.85Å; D231-H316 PolarHBondContact OD1-CD2 3.28Å; D231-H316 VanDerWaalsContact OD1-CD2 3.31Å; D231-H316 IonicContact OD1-NE2 2.67Å; D231-H316 IonicContact OD2-CD2 2.76Å; D231-H316 IonicContact OD2-NE2 3.72Å; D231-H316 PolarHBondContact OD2-NE2 3.42Å; D231-H316 VanDerWaalsContact OD2-NE2 3.13Å; L262-H316 HydrophobicContact CD1-CB 3.6Å; I265-H316 HydrophobicContact CD1-CB 3.8Å; H316-G318 PolarHBondContact CE1-O 3.2Å; H316-N328 PolarHBondContact CE1-ND2 3.44Å; H316-L330 PolarHBondContact ND1-O 3.3Å; H316-K331 PolarHBondContact O-NZ 3.2Å
317	M	86.9	Confident	79.9	Confident	48 Å²	48	36.6 Å²	36.6	24%	0.236	18%	0.178	C	C	.	.			trans	-115.6	-7.1	179.7	54.5	176.5	-83.7	0	0	113.5	Y120 E123 D231 R233 Q315 Y319	Y120-M317 HydrophobicContact CD1-CE 4.3Å; E123-M317 HydrophobicContact CB-CE 3.56Å; E123-M317 HydrophobicContact CB-SD 4.49Å; E123-M317 HydrophobicContact CG-CE 4.29Å; E123-M317 WeakPolarHBondContact OE2-CE 3.37Å; D231-M317 VanDerWaalsContact C-CG 3.47Å; D231-M317 WeakPolarHBondContact O-CG 3.29Å; D231-M317 PolarHBondContact O-N 3.48Å; R233-M317 HydrophobicContact CB-SD 4Å; Q315-M317 PolarHBondContact O-N 2.8Å; M317-Y319 PolarHBondContact O-N 3.48Å
318	G	75.8	Confident	78.9	Confident	2 Å²	2	37 Å²	37	2%	0.021	18%	0.18	C	C	.	.			trans	-66.8	116	179.6	0	0	0	0	0	112.9	H316	H316-G318 PolarHBondContact CE1-O 3.2Å
319	Y	68.4	Low	78.1	Confident	88 Å²	88	41.7 Å²	41.7	35%	0.345	20%	0.202	S	C	.	.	S	Bend	trans	-81.4	-24.5	174.5	-171.2	-96.1	0	0	0	112.7	Y120 M317 E327 N328 K329	Y120-Y319 PolarHBondContact OH-N 3.09Å; Y120-Y319 VanDerWaalsContact OH-N 3.14Å; M317-Y319 PolarHBondContact O-N 3.48Å; Y319-E327 HydrophobicContact CE1-CB 4.28Å; Y319-E327 HydrophobicContact CE1-CG 3.73Å; Y319-E327 WeakPolarHBondContact CE1-OE1 3.45Å; Y319-E327 CarbonylContact O-C 3.6Å; Y319-E327 WeakPolarHBondContact O-CA 3.48Å; Y319-E327 PolarHBondContact OH-OE1 3.47Å; Y319-E327 PolarHBondContact OH-OE2 3.13Å; Y319-E327 VanDerWaalsContact OH-OE2 3.04Å; Y319-N328 PolarHBondContact O-N 3.14Å; Y319-K329 HydrophobicContact CE2-CG 4.14Å; Y319-K329 WeakPolarHBondContact OH-CE 3.32Å
320	Y	74.5	Confident	77.7	Confident	63 Å²	63	46 Å²	46	25%	0.247	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-122.9	125.4	-179	-64.1	-66.6	0	0	0	110.4	R115 R117 Y120 G325 V326 E327	R115-Y320 PolarHBondContact NH1-O 2.89Å; R117-Y320 HydrophobicContact CB-CD2 3.92Å; R117-Y320 HydrophobicContact CB-CE2 4.5Å; R117-Y320 HydrophobicContact CB-CG 3.94Å; Y120-Y320 PolarHBondContact OH-N 2.99Å; Y320-G325 WeakPolarHBondContact CD1-O 3.43Å; Y320-V326 WeakPolarHBondContact CA-O 3.45Å; Y320-E327 HydrophobicContact CD1-CG 4.29Å; Y320-E327 HydrophobicContact CE1-CG 3.91Å
321	S	73.6	Confident	77.3	Confident	35 Å²	35	50 Å²	50	25%	0.245	24%	0.243	C	C	.	.			trans	-64.2	144.1	177.5	179.9	0	0	0	0	111.9	Y323 G325 V326	S321-Y323 PolarHBondContact O-N 3.41Å; S321-Y323 PolarHBondContact OG-N 2.98Å; S321-Y323 VanDerWaalsContact OG-N 3.09Å; S321-G325 WeakPolarHBondContact O-CA 3.5Å; S321-G325 PolarHBondContact O-N 3.27Å; S321-V326 PolarHBondContact N-O 2.7Å
322	S	75.3	Confident	76.7	Confident	24 Å²	24	49.6 Å²	49.6	17%	0.168	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31	167.8	50.4	0	0	0	0	112.1	F203 K324	F203-S322 WeakPolarHBondContact CZ-OG 3.39Å; S322-K324 PolarHBondContact O-N 3.27Å
323	Y	77.4	Confident	75.7	Confident	44 Å²	44	54.9 Å²	54.9	17%	0.173	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	109.1	170.6	-175.6	-108.3	0	0	0	110.5	D199 R200 F203 S321 G325	D199-Y323 VanDerWaalsContact CG-OH 3.29Å; D199-Y323 PolarHBondContact OD1-OH 3.46Å; D199-Y323 PolarHBondContact OD2-OH 3.25Å; R200-Y323 HydrophobicContact CB-CE1 4.37Å; R200-Y323 HydrophobicContact CB-CE2 4.1Å; R200-Y323 WeakPolarHBondContact CB-OH 3.37Å; R200-Y323 HydrophobicContact CG-CE1 4.29Å; R200-Y323 HydrophobicContact CG-CE2 4.46Å; R200-Y323 PolarHBondContact N-OH 3.13Å; F203-Y323 HydrophobicContact CB-CD2 3.82Å; F203-Y323 HydrophobicContact CB-CE2 4.14Å; F203-Y323 HydrophobicContact CD1-CD2 4.03Å; F203-Y323 HydrophobicContact CD1-CG 4.35Å; F203-Y323 HydrophobicContact CD2-CD2 4.04Å; F203-Y323 AromaticContact CG-CD2 3.68Å; F203-Y323 HydrophobicContact CG-CD2 3.68Å; F203-Y323 HydrophobicContact CG-CE2 4.48Å; F203-Y323 HydrophobicContact CG-CG 4.41Å; S321-Y323 PolarHBondContact O-N 3.41Å; S321-Y323 PolarHBondContact OG-N 2.98Å; S321-Y323 VanDerWaalsContact OG-N 3.09Å; Y323-G325 PolarHBondContact O-N 2.8Å
324	K	78.7	Confident	74.6	Confident	96 Å²	96	56.2 Å²	56.2	42%	0.417	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	0.2	176	-67.7	-179.1	172.1	163	0	117	D199 S322 V326	D199-K324 IonicContact OD1-NZ 2.81Å; D199-K324 PolarHBondContact OD1-NZ 2.99Å; D199-K324 WeakPolarHBondContact OD2-CE 3.24Å; D199-K324 IonicContact OD2-NZ 2.68Å; D199-K324 PolarHBondContact OD2-NZ 2.63Å; S322-K324 PolarHBondContact O-N 3.27Å; K324-V326 VanDerWaalsContact C-N 3.34Å; K324-V326 HydrophobicContact CB-CG2 4.1Å
325	G	63.6	Low	73.5	Confident	10 Å²	10	57.9 Å²	57.9	10%	0.103	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	26	-179.7	0	0	0	0	0	113.5	Y320 S321 Y323	Y320-G325 WeakPolarHBondContact CD1-O 3.43Å; S321-G325 WeakPolarHBondContact O-CA 3.5Å; S321-G325 PolarHBondContact O-N 3.27Å; Y323-G325 PolarHBondContact O-N 2.8Å
326	V	70.6	Confident	72.4	Confident	86 Å²	86	62.5 Å²	62.5	52%	0.521	30%	0.304	S	S	.	.			trans	-69.4	142.7	178.4	-177.6	0	0	0	0	109.9	Y320 S321 K324 N328	Y320-V326 WeakPolarHBondContact CA-O 3.45Å; S321-V326 PolarHBondContact N-O 2.7Å; K324-V326 VanDerWaalsContact C-N 3.34Å; K324-V326 HydrophobicContact CB-CG2 4.1Å; V326-N328 PolarHBondContact O-N 2.83Å
327	E	72.1	Confident	71.2	Confident	105 Å²	105	64.5 Å²	64.5	49%	0.491	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-60.7	131.9	175.4	-62.5	-165.4	157.1	0	0	111.2	Y319 Y320 K329	Y319-E327 HydrophobicContact CE1-CB 4.28Å; Y319-E327 HydrophobicContact CE1-CG 3.73Å; Y319-E327 WeakPolarHBondContact CE1-OE1 3.45Å; Y319-E327 CarbonylContact O-C 3.6Å; Y319-E327 WeakPolarHBondContact O-CA 3.48Å; Y319-E327 PolarHBondContact OH-OE1 3.47Å; Y319-E327 PolarHBondContact OH-OE2 3.13Å; Y319-E327 VanDerWaalsContact OH-OE2 3.04Å; Y320-E327 HydrophobicContact CD1-CG 4.29Å; Y320-E327 HydrophobicContact CE1-CG 3.91Å; E327-K329 IonicContact OE2-NZ 3.67Å
328	N	66.7	Low	70	Confident	39 Å²	39	67.4 Å²	67.4	21%	0.209	33%	0.329	C	S	.	.			trans	-127.6	118.5	177.1	-173.1	-0.3	0	0	0	108.7	H316 Y319 V326 L330	H316-N328 PolarHBondContact CE1-ND2 3.44Å; Y319-N328 PolarHBondContact O-N 3.14Å; V326-N328 PolarHBondContact O-N 2.83Å; N328-L330 VanDerWaalsContact OD1-CB 3.27Å; N328-L330 WeakPolarHBondContact OD1-CB 3.41Å; N328-L330 WeakPolarHBondContact OD1-CD1 3.47Å; N328-L330 WeakPolarHBondContact OD1-CG 3.5Å; N328-L330 PolarHBondContact OD1-N 2.67Å
329	K	70.9	Confident	69.2	Low	145 Å²	145	67.9 Å²	67.9	63%	0.63	33%	0.332	S	S	*	.			trans	-111.5	17.6	179.5	-61.2	-177.6	-175.2	177.3	0	112	Y319 E327 K331	Y319-K329 HydrophobicContact CE2-CG 4.14Å; Y319-K329 WeakPolarHBondContact OH-CE 3.32Å; E327-K329 IonicContact OE2-NZ 3.67Å; K329-K331 PolarHBondContact O-N 2.89Å
330	L	72.9	Confident	68.6	Low	102 Å²	102	70.5 Å²	70.5	53%	0.534	35%	0.351	S	S	.	.			trans	-59.7	125.4	177.4	-71.9	172.3	0	0	0	110.1	H316 N328	H316-L330 PolarHBondContact ND1-O 3.3Å; N328-L330 VanDerWaalsContact OD1-CB 3.27Å; N328-L330 WeakPolarHBondContact OD1-CB 3.41Å; N328-L330 WeakPolarHBondContact OD1-CD1 3.47Å; N328-L330 WeakPolarHBondContact OD1-CG 3.5Å; N328-L330 PolarHBondContact OD1-N 2.67Å
331	K	65.4	Low	68.3	Low	120 Å²	120	71.5 Å²	71.5	52%	0.522	36%	0.361	S	S	.	.			trans	-129.5	151.7	175.9	-67.4	-62.5	-179.2	-175.3	0	110.1	Q315 H316 K329	Q315-K331 HydrophobicContact CG-CD 4.48Å; H316-K331 PolarHBondContact O-NZ 3.2Å; K329-K331 PolarHBondContact O-N 2.89Å
332	D	66.6	Low	68.2	Low	5 Å²	5	70.4 Å²	70.4	3%	0.027	35%	0.352	C	S	.	.			trans	-101.3	105.9	174.1	-160.3	-27.3	0	0	0	106	S260 K261 L262 S312 Q315 D334 F335	S260-D332 WeakPolarHBondContact CA-OD2 2.89Å; S260-D332 WeakPolarHBondContact CB-OD2 3.47Å; S260-D332 PolarHBondContact OG-OD2 3.02Å; K261-D332 WeakPolarHBondContact CD-OD1 3.41Å; K261-D332 PolarHBondContact N-OD2 3.44Å; L262-D332 HydrophobicContact CD1-CB 3.97Å; L262-D332 HydrophobicContact CG-CB 4.11Å; S312-D332 WeakPolarHBondContact CB-OD2 3.33Å; S312-D332 VanDerWaalsContact OG-CG 3.24Å; S312-D332 PolarHBondContact OG-OD1 3.21Å; S312-D332 PolarHBondContact OG-OD2 3.4Å; Q315-D332 PolarHBondContact OE1-O 3.08Å; D332-D334 PolarHBondContact O-N 2.56Å; D332-D334 PolarHBondContact OD1-N 2.69Å; D332-F335 HydrophobicContact CB-CB 4.28Å; D332-F335 WeakPolarHBondContact O-CB 3.49Å; D332-F335 PolarHBondContact O-N 3.22Å; D332-F335 VanDerWaalsContact O-N 3.14Å
333	D	66.9	Low	68.4	Low	111 Å²	111	70.2 Å²	70.2	59%	0.594	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.5	-178.5	48.4	17.2	0	0	0	112.7	K261 F335	K261-D333 VanDerWaalsContact CE-OD1 3.32Å; K261-D333 WeakPolarHBondContact CE-OD1 3.15Å; K261-D333 IonicContact NZ-OD1 3.99Å; K261-D333 PolarHBondContact NZ-OD1 2.86Å; K261-D333 IonicContact NZ-OD2 3.62Å; K261-D333 PolarHBondContact NZ-OD2 2.79Å; D333-F335 VanDerWaalsContact C-N 3.32Å
334	D	68.6	Low	68.6	Low	29 Å²	29	68.7 Å²	68.7	16%	0.155	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.8	174.2	-67	-51.1	0	0	0	112.8	K310 P311 S312 D332 E336	K310-D334 VanDerWaalsContact CE-CG 3.44Å; K310-D334 WeakPolarHBondContact CE-OD1 3.24Å; K310-D334 WeakPolarHBondContact CE-OD2 3.33Å; K310-D334 HydrophobicContact CG-CB 4.28Å; K310-D334 IonicContact NZ-OD1 3.71Å; K310-D334 PolarHBondContact NZ-OD1 2.9Å; K310-D334 IonicContact NZ-OD2 2.77Å; K310-D334 PolarHBondContact NZ-OD2 3.12Å; P311-D334 CarbonylContact C-O 3.58Å; P311-D334 VanDerWaalsContact CA-O 3.27Å; P311-D334 WeakPolarHBondContact CA-O 3.22Å; P311-D334 WeakPolarHBondContact CB-O 3.43Å; S312-D334 PolarHBondContact N-O 2.81Å; D332-D334 PolarHBondContact O-N 2.56Å; D332-D334 PolarHBondContact OD1-N 2.69Å; D334-E336 PolarHBondContact O-N 3.33Å
335	F	70.7	Confident	69.1	Low	36 Å²	36	64.8 Å²	64.8	16%	0.158	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-75.9	125.5	-178	176.2	-104.5	0	0	0	112.5	S312 Q315 D332 D333 E337	S312-F335 VanDerWaalsContact O-CD2 3.26Å; S312-F335 WeakPolarHBondContact O-CD2 3.28Å; Q315-F335 HydrophobicContact CB-CB 4.1Å; Q315-F335 HydrophobicContact CB-CD1 3.51Å; Q315-F335 HydrophobicContact CB-CD2 3.63Å; Q315-F335 HydrophobicContact CB-CE1 3.69Å; Q315-F335 HydrophobicContact CB-CE2 3.82Å; Q315-F335 HydrophobicContact CB-CG 3.48Å; Q315-F335 VanDerWaalsContact CB-CG 3.48Å; Q315-F335 HydrophobicContact CB-CZ 3.85Å; Q315-F335 HydrophobicContact CG-CD1 3.93Å; Q315-F335 HydrophobicContact CG-CE1 4.28Å; Q315-F335 HydrophobicContact CG-CG 4.2Å; D332-F335 HydrophobicContact CB-CB 4.28Å; D332-F335 WeakPolarHBondContact O-CB 3.49Å; D332-F335 PolarHBondContact O-N 3.22Å; D332-F335 VanDerWaalsContact O-N 3.14Å; D333-F335 VanDerWaalsContact C-N 3.32Å; F335-E337 HydrophobicContact CE1-CB 3.88Å; F335-E337 HydrophobicContact CZ-CB 4.09Å; F335-E337 HydrophobicContact CZ-CG 4.5Å
336	E	67.4	Low	70.3	Confident	114 Å²	114	64.8 Å²	64.8	53%	0.533	33%	0.327	S	S	.	.			trans	-125.3	111.2	174.7	-69.8	-172	-179.8	0	0	110.7	P311 D334 D338 S339	P311-E336 HydrophobicContact CB-CB 3.83Å; P311-E336 HydrophobicContact CB-CG 3.8Å; P311-E336 HydrophobicContact CG-CB 3.99Å; P311-E336 HydrophobicContact CG-CG 4.26Å; D334-E336 PolarHBondContact O-N 3.33Å; E336-D338 PolarHBondContact O-N 3.3Å; E336-S339 PolarHBondContact O-OG 3.38Å
337	E	62.4	Low	71	Confident	53 Å²	53	61.7 Å²	61.7	25%	0.248	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-39.5	-175.3	-174.4	165.3	-162	0	0	112.9	Q131 R233 R236 F335	Q131-E337 PolarHBondContact NE2-OE1 2.84Å; Q131-E337 VanDerWaalsContact NE2-OE1 3.15Å; R233-E337 IonicContact CZ-OE1 2.66Å; R233-E337 IonicContact CZ-OE2 2.7Å; R233-E337 IonicContact NE-OE1 3.37Å; R233-E337 PolarHBondContact NE-OE1 3.47Å; R233-E337 IonicContact NE-OE2 3.11Å; R233-E337 PolarHBondContact NE-OE2 2.99Å; R233-E337 VanDerWaalsContact NH2-CD 3.26Å; R233-E337 IonicContact NH2-OE1 2.71Å; R233-E337 PolarHBondContact NH2-OE1 3.41Å; R233-E337 IonicContact NH2-OE2 3.32Å; R233-E337 PolarHBondContact NH2-OE2 3.4Å; R236-E337 PolarHBondContact N-O 3.02Å; F335-E337 HydrophobicContact CE1-CB 3.88Å; F335-E337 HydrophobicContact CZ-CB 4.09Å; F335-E337 HydrophobicContact CZ-CG 4.5Å
338	D	61.2	Low	71.9	Confident	108 Å²	108	57.9 Å²	57.9	58%	0.578	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	36.5	-178.7	-70.1	-52.4	0	0	0	112.5	E336 I340	E336-D338 PolarHBondContact O-N 3.3Å; D338-I340 VanDerWaalsContact C-N 3.27Å; D338-I340 PolarHBondContact O-N 3.17Å
339	S	59.3	Low	73	Confident	12 Å²	12	57 Å²	57	8%	0.084	30%	0.295	C	S	.	.			trans	-70.9	76.4	-179	47.6	0	0	0	0	112.9	E336 D341 I342	E336-S339 PolarHBondContact O-OG 3.38Å; S339-D341 VanDerWaalsContact C-N 3.31Å; S339-I342 WeakPolarHBondContact O-CG1 3.49Å
340	I	56.4	Low	73.9	Confident	144 Å²	144	51.1 Å²	51.1	74%	0.738	27%	0.27	S	S	*	.			trans	-76.4	-21.9	177.5	-62.1	161.9	0	0	0	111.1	D338	D338-I340 VanDerWaalsContact C-N 3.27Å; D338-I340 PolarHBondContact O-N 3.17Å
341	D	67.3	Low	74.8	Confident	84 Å²	84	50.1 Å²	50.1	45%	0.449	26%	0.26	S	S	.	.			trans	-117.8	59.6	-170.3	-167.2	30.4	0	0	0	113.2	S339 K396 W481	S339-D341 VanDerWaalsContact C-N 3.31Å; D341-K396 IonicContact OD2-NZ 2.69Å; D341-K396 PolarHBondContact OD2-NZ 2.94Å; D341-W481 WeakPolarHBondContact O-CZ2 3.11Å; D341-W481 PolarHBondContact O-NE1 3.11Å; D341-W481 PolarHBondContact OD1-NE1 3.27Å
342	I	71	Confident	76.1	Confident	11 Å²	11	46.1 Å²	46.1	6%	0.056	25%	0.246	C	C	.	.			trans	-85.5	128	-177.4	-48.9	174.8	0	0	0	111.7	A241 K244 F309 K310 P311 L313 S339 W481	A241-I342 HydrophobicContact CB-CD1 3.64Å; K244-I342 PolarHBondContact NZ-O 3.43Å; F309-I342 HydrophobicContact CE1-CB 4.42Å; F309-I342 HydrophobicContact CE1-CD1 3.89Å; F309-I342 HydrophobicContact CE1-CG2 3.48Å; F309-I342 VanDerWaalsContact CE1-CG2 3.48Å; F309-I342 HydrophobicContact CE2-CG2 3.65Å; F309-I342 HydrophobicContact CZ-CB 3.96Å; F309-I342 HydrophobicContact CZ-CD1 4.22Å; F309-I342 HydrophobicContact CZ-CG2 2.97Å; K310-I342 WeakPolarHBondContact O-CG2 2.93Å; P311-I342 VanDerWaalsContact CD-CG2 3.48Å; P311-I342 HydrophobicContact CG-CD1 4.4Å; P311-I342 HydrophobicContact CG-CG1 4.15Å; L313-I342 HydrophobicContact CD2-CD1 3.78Å; S339-I342 WeakPolarHBondContact O-CG1 3.49Å; I342-W481 VanDerWaalsContact C-NE1 3.34Å; I342-W481 PolarHBondContact O-NE1 3.23Å
343	P	80.1	Confident	77.4	Confident	21 Å²	21	49.1 Å²	49.1	14%	0.136	26%	0.261	C	S	.	.			trans	-64.9	149.1	178.3	25.6	-35.6	0	0	0	113.4	L480 W481	P343-L480 CarbonylContact C-O 3.51Å; P343-W481 HydrophobicContact CB-CD2 4.13Å; P343-W481 HydrophobicContact CB-CE3 4.34Å; P343-W481 HydrophobicContact CB-CH2 4.15Å; P343-W481 HydrophobicContact CB-CZ2 3.93Å; P343-W481 HydrophobicContact CB-CZ3 4.36Å; P343-W481 HydrophobicContact CG-CZ2 4.27Å
344	D	82.3	Confident	78.7	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.064	24%	0.235	C	C	.	.			trans	-82.8	-37.5	179.4	-70.1	-64.1	0	0	0	113.8	K244 L480 W481 T482	K244-D344 WeakPolarHBondContact CD-OD1 3.33Å; K244-D344 VanDerWaalsContact CE-CG 3.47Å; K244-D344 WeakPolarHBondContact CE-OD1 3.01Å; K244-D344 WeakPolarHBondContact CE-OD2 3Å; K244-D344 WeakPolarHBondContact CG-OD1 3.26Å; K244-D344 IonicContact NZ-OD1 2.74Å; K244-D344 PolarHBondContact NZ-OD1 3.44Å; K244-D344 IonicContact NZ-OD2 3.05Å; K244-D344 PolarHBondContact NZ-OD2 2.83Å; D344-L480 WeakPolarHBondContact CA-O 2.77Å; D344-L480 WeakPolarHBondContact CB-O 3.27Å; D344-L480 PolarHBondContact N-O 3.41Å; D344-W481 VanDerWaalsContact OD2-CA 3.26Å; D344-W481 WeakPolarHBondContact OD2-CA 3.31Å; D344-T482 HydrophobicContact CB-CG2 3.91Å; D344-T482 PolarHBondContact OD2-N 3.45Å; D344-T482 PolarHBondContact OD2-OG1 3.04Å
345	N	88.6	Confident	80	Confident	14 Å²	14	48.4 Å²	48.4	8%	0.075	26%	0.258	C	S	.	.			trans	35.2	71.8	-173.4	-73.8	22.7	0	0	0	113.5	Y366 I478 S479 L480	N345-Y366 WeakPolarHBondContact CA-OH 2.98Å; N345-Y366 HydrophobicContact CB-CE1 4.34Å; N345-Y366 HydrophobicContact CB-CE2 4.3Å; N345-I478 PolarHBondContact ND2-O 3.47Å; N345-S479 WeakPolarHBondContact OD1-CA 3.47Å; N345-L480 PolarHBondContact N-O 3.09Å; N345-L480 VanDerWaalsContact N-O 3.15Å; N345-L480 PolarHBondContact OD1-N 3.4Å
346	P	87.9	Confident	81.1	Confident	9 Å²	9	49.3 Å²	49.3	6%	0.058	27%	0.266	C	S	.	.			trans	-54.4	150.8	-178.8	-22.7	31.5	0	0	0	113.2	A348 Y366 F388 T392 T482	P346-A348 PolarHBondContact O-N 3.16Å; P346-Y366 WeakPolarHBondContact CD-OH 3.47Å; P346-Y366 VanDerWaalsContact N-OH 3.17Å; P346-Y366 VanDerWaalsContact O-CE1 3.32Å; P346-Y366 WeakPolarHBondContact O-CE1 3.23Å; P346-Y366 PolarHBondContact O-OH 3.21Å; P346-F388 HydrophobicContact CB-CD1 3.9Å; P346-F388 HydrophobicContact CB-CE1 4.16Å; P346-F388 HydrophobicContact CG-CD1 4.37Å; P346-F388 HydrophobicContact CG-CE1 4.18Å; P346-T392 HydrophobicContact CG-CG2 3.95Å; P346-T482 HydrophobicContact CG-CG2 3.45Å; P346-T482 VanDerWaalsContact CG-CG2 3.45Å
347	P	86.9	Confident	82.2	Confident	21 Å²	21	45.9 Å²	45.9	14%	0.136	25%	0.249	C	C	.	.	S	Bend	trans	-53.4	126.2	177.7	-26.7	34.9	0	0	0	112.4	S248 N389	S248-P347 WeakPolarHBondContact O-CD 3.1Å; S248-P347 VanDerWaalsContact O-CG 3.3Å; S248-P347 WeakPolarHBondContact O-CG 3.15Å; P347-N389 HydrophobicContact CB-CB 4.45Å; P347-N389 PolarHBondContact O-N 3.08Å
348	A	89.6	Confident	83.5	Confident	26 Å²	26	50.4 Å²	50.4	22%	0.215	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.9	-175	0	0	0	0	0	112	P346 I350 Y366 I386 V387 F388	P346-A348 PolarHBondContact O-N 3.16Å; A348-I350 HydrophobicContact CB-CD1 4.19Å; A348-Y366 HydrophobicContact CB-CE1 3.86Å; A348-I386 HydrophobicContact CB-CG2 3.45Å; A348-I386 VanDerWaalsContact CB-CG2 3.45Å; A348-V387 CarbonylContact C-O 3.53Å; A348-V387 WeakPolarHBondContact CA-O 3.05Å; A348-V387 VanDerWaalsContact CB-O 3.27Å; A348-V387 WeakPolarHBondContact CB-O 3.48Å; A348-F388 HydrophobicContact CB-CD1 3.93Å; A348-F388 HydrophobicContact CB-CE1 4.46Å
349	G	89.7	Confident	84.7	Confident	19 Å²	19	50 Å²	50	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	137.2	162.4	0	0	0	0	0	110.4	V387	G349-V387 PolarHBondContact N-O 2.85Å; G349-V387 PolarHBondContact O-N 3.05Å
350	I	91.5	Very high	86	Confident	22 Å²	22	52.2 Å²	52.2	11%	0.113	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.4	-177.9	-41.5	-60.6	0	0	0	109.5	A348 A362 T363 Y366 F384 V385 I386	A348-I350 HydrophobicContact CB-CD1 4.19Å; I350-A362 HydrophobicContact CB-CB 4.27Å; I350-A362 HydrophobicContact CG2-CB 3.65Å; I350-T363 HydrophobicContact CB-CG2 4.44Å; I350-T363 HydrophobicContact CG1-CG2 4.41Å; I350-Y366 HydrophobicContact CD1-CD1 3.58Å; I350-Y366 HydrophobicContact CD1-CD2 4.36Å; I350-Y366 HydrophobicContact CD1-CE1 4.31Å; I350-Y366 HydrophobicContact CD1-CG 3.59Å; I350-Y366 HydrophobicContact CG1-CD1 4.38Å; I350-Y366 HydrophobicContact CG1-CG 4.42Å; I350-F384 HydrophobicContact CG2-CD1 4.25Å; I350-F384 HydrophobicContact CG2-CE1 3.38Å; I350-F384 HydrophobicContact CG2-CE2 4.14Å; I350-F384 HydrophobicContact CG2-CZ 3.33Å; I350-V385 WeakPolarHBondContact CA-O 3.37Å; I350-I386 HydrophobicContact CD1-CB 4.17Å; I350-I386 HydrophobicContact CD1-CG1 3.93Å; I350-I386 HydrophobicContact CD1-CG2 3.85Å
351	Y	90.9	Very high	87.5	Confident	81 Å²	81	48.2 Å²	48.2	32%	0.318	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.1	-178.7	-50.6	-84.2	0	0	0	110.3	V385 V387 K429	Y351-V385 HydrophobicContact CD2-CG1 4.31Å; Y351-V385 PolarHBondContact N-O 2.76Å; Y351-V385 WeakPolarHBondContact O-CG1 3.17Å; Y351-V385 PolarHBondContact O-N 3.21Å; Y351-V387 HydrophobicContact CD2-CB 4.41Å; Y351-V387 HydrophobicContact CD2-CG2 3.91Å; Y351-V387 HydrophobicContact CE2-CB 4.05Å; Y351-V387 HydrophobicContact CE2-CG2 3.96Å; Y351-K429 HydrophobicContact CD2-CB 4.48Å; Y351-K429 HydrophobicContact CE2-CB 3.94Å
352	T	93.3	Very high	88.5	Confident	37 Å²	37	44.6 Å²	44.6	23%	0.227	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	148.6	177	-179.2	0	0	0	0	109.3	I354 V356 A362 F373 F383	T352-I354 WeakPolarHBondContact OG1-CB 3.42Å; T352-I354 PolarHBondContact OG1-N 2.78Å; T352-V356 HydrophobicContact CG2-CG2 4.44Å; T352-A362 HydrophobicContact CG2-CB 3.8Å; T352-F373 HydrophobicContact CG2-CE2 4.06Å; T352-F373 HydrophobicContact CG2-CZ 4.4Å; T352-F383 WeakPolarHBondContact CA-O 2.96Å; T352-F383 PolarHBondContact OG1-O 2.94Å
353	N	93.3	Very high	89.2	Confident	67 Å²	67	47.8 Å²	47.8	36%	0.358	26%	0.258	S	S	.	.			trans	-99.8	-0.9	167.6	75.9	-33.7	0	0	0	112.3	D382 F383	N353-D382 PolarHBondContact ND2-OD1 2.95Å; N353-D382 VanDerWaalsContact OD1-CA 3.3Å; N353-D382 WeakPolarHBondContact OD1-CA 3.41Å; N353-F383 HydrophobicContact CB-CD1 4.35Å; N353-F383 HydrophobicContact CB-CE1 3.84Å; N353-F383 HydrophobicContact CB-CZ 4.09Å; N353-F383 PolarHBondContact N-O 3.15Å; N353-F383 WeakPolarHBondContact OD1-CD1 3.45Å; N353-F383 PolarHBondContact OD1-N 3.43Å; N353-F383 PolarHBondContact OD1-O 3.13Å
354	I	95.1	Very high	89.6	Confident	6 Å²	6	47.6 Å²	47.6	3%	0.031	26%	0.255	C	S	.	.	S	Bend	trans	-71.1	130.7	174.7	-58	164.1	0	0	0	108.1	T352 V356 F373 P378 D382 L473	T352-I354 WeakPolarHBondContact OG1-CB 3.42Å; T352-I354 PolarHBondContact OG1-N 2.78Å; I354-V356 PolarHBondContact O-N 2.9Å; I354-V356 VanDerWaalsContact O-N 3.11Å; I354-F373 HydrophobicContact CB-CE1 4.45Å; I354-F373 HydrophobicContact CB-CZ 3.92Å; I354-F373 HydrophobicContact CD1-CE1 4.4Å; I354-F373 HydrophobicContact CG2-CE1 4.15Å; I354-F373 HydrophobicContact CG2-CZ 3.81Å; I354-P378 HydrophobicContact CG1-CB 4.37Å; I354-P378 HydrophobicContact CG2-CB 4.45Å; I354-D382 HydrophobicContact CG1-CB 3.77Å; I354-L473 HydrophobicContact CD1-CD2 4.02Å
355	N	94.3	Very high	89.9	Confident	119 Å²	119	47.1 Å²	47.1	64%	0.636	25%	0.252	S	S	*	.			trans	-65.4	113.3	-178.7	-74	-38.4	0	0	0	110.9	G375 K376	N355-G375 CarbonylContact O-C 3.57Å; N355-G375 WeakPolarHBondContact O-CA 3.42Å; N355-K376 HydrophobicContact CB-CB 4.07Å; N355-K376 HydrophobicContact CB-CD 4.12Å; N355-K376 HydrophobicContact CB-CG 4.34Å; N355-K376 PolarHBondContact O-N 3.1Å
356	V	94.3	Very high	89.8	Confident	55 Å²	55	47.4 Å²	47.4	33%	0.333	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-68.3	140.1	-179.2	-175.8	0	0	0	0	111.1	T352 I354 Y360 F373	T352-V356 HydrophobicContact CG2-CG2 4.44Å; I354-V356 PolarHBondContact O-N 2.9Å; I354-V356 VanDerWaalsContact O-N 3.11Å; V356-Y360 WeakPolarHBondContact CG1-O 3.49Å; V356-F373 HydrophobicContact CG2-CE2 3.86Å
357	F	90.5	Very high	89	Confident	42 Å²	42	49.1 Å²	49.1	18%	0.184	26%	0.264	C	S	.	.			trans	-88.7	123.7	167.9	179.1	-101.5	0	0	0	110.5	N359 Y360 W374 W472	F357-N359 PolarHBondContact O-N 3.1Å; F357-Y360 AromaticContact CD1-CD2 3.76Å; F357-Y360 HydrophobicContact CD1-CD2 3.76Å; F357-Y360 HydrophobicContact CD1-CE2 4.03Å; F357-Y360 HydrophobicContact CE1-CD2 4.35Å; F357-Y360 HydrophobicContact CE1-CE2 4.18Å; F357-Y360 WeakPolarHBondContact O-CB 3.4Å; F357-Y360 WeakPolarHBondContact O-CD2 3.38Å; F357-Y360 PolarHBondContact O-N 2.92Å; F357-W374 HydrophobicContact CB-CD2 4.47Å; F357-W374 HydrophobicContact CB-CE3 4.41Å; F357-W374 WeakPolarHBondContact CB-O 3.41Å; F357-W374 HydrophobicContact CD1-CD2 4.06Å; F357-W374 AromaticContact CD1-CE3 3.22Å; F357-W374 HydrophobicContact CD1-CE3 3.22Å; F357-W374 HydrophobicContact CD1-CH2 4.15Å; F357-W374 AromaticContact CD1-CZ3 3.27Å; F357-W374 HydrophobicContact CD1-CZ3 3.27Å; F357-W374 AromaticContact CE1-CE3 3.68Å; F357-W374 HydrophobicContact CE1-CE3 3.68Å; F357-W374 HydrophobicContact CE1-CH2 4.01Å; F357-W374 AromaticContact CE1-CZ3 3.2Å; F357-W374 HydrophobicContact CE1-CZ3 3.2Å; F357-W374 HydrophobicContact CG-CD2 4.47Å; F357-W374 HydrophobicContact CG-CE3 4.03Å; F357-W374 HydrophobicContact CG-CZ3 4.14Å; F357-W374 HydrophobicContact CZ-CH2 4.42Å; F357-W374 HydrophobicContact CZ-CZ3 4.01Å; F357-W374 PolarHBondContact N-O 3.09Å; F357-W472 HydrophobicContact CB-CE3 4.28Å; F357-W472 HydrophobicContact CB-CZ3 3.8Å; F357-W472 HydrophobicContact CD1-CZ3 4.09Å; F357-W472 HydrophobicContact CD2-CE3 4.34Å; F357-W472 AromaticContact CD2-CH2 3.32Å; F357-W472 HydrophobicContact CD2-CH2 3.32Å; F357-W472 AromaticContact CD2-CZ3 3.16Å; F357-W472 HydrophobicContact CD2-CZ3 3.16Å; F357-W472 AromaticContact CE2-CH2 3.53Å; F357-W472 HydrophobicContact CE2-CH2 3.53Å; F357-W472 AromaticContact CE2-CZ3 3.66Å; F357-W472 HydrophobicContact CE2-CZ3 3.66Å; F357-W472 HydrophobicContact CG-CE3 4.3Å; F357-W472 HydrophobicContact CG-CH2 4.06Å; F357-W472 AromaticContact CG-CZ3 3.39Å; F357-W472 HydrophobicContact CG-CZ3 3.39Å; F357-W472 HydrophobicContact CZ-CH2 4.43Å; F357-W472 HydrophobicContact CZ-CZ3 4.3Å
358	E	90.4	Very high	87.6	Confident	149 Å²	149	49.2 Å²	49.2	70%	0.696	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	-122.3	176.7	-64.2	-178.1	173.4	0	0	113.2	Y360	E358-Y360 HydrophobicContact CB-CD2 4.42Å
359	N	85.2	Confident	86.1	Confident	100 Å²	100	49.3 Å²	49.3	54%	0.535	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	19.5	-179.7	66.7	-19.4	0	0	0	112.8	F357 D361 K364	F357-N359 PolarHBondContact O-N 3.1Å; N359-D361 PolarHBondContact O-N 2.79Å; N359-D361 VanDerWaalsContact O-N 3.14Å; N359-K364 WeakPolarHBondContact O-CE 3.32Å; N359-K364 PolarHBondContact O-NZ 3.14Å
360	Y	86.9	Confident	84.8	Confident	57 Å²	57	53.9 Å²	53.9	22%	0.224	28%	0.282	C	S	.	.			trans	-87.9	52.6	178.4	-67	-94.1	0	0	0	111.8	V356 F357 E358 Y372 F373 W374	V356-Y360 WeakPolarHBondContact CG1-O 3.49Å; F357-Y360 AromaticContact CD1-CD2 3.76Å; F357-Y360 HydrophobicContact CD1-CD2 3.76Å; F357-Y360 HydrophobicContact CD1-CE2 4.03Å; F357-Y360 HydrophobicContact CE1-CD2 4.35Å; F357-Y360 HydrophobicContact CE1-CE2 4.18Å; F357-Y360 WeakPolarHBondContact O-CB 3.4Å; F357-Y360 WeakPolarHBondContact O-CD2 3.38Å; F357-Y360 PolarHBondContact O-N 2.92Å; E358-Y360 HydrophobicContact CB-CD2 4.42Å; Y360-Y372 AromaticContact CD1-CD2 3.85Å; Y360-Y372 HydrophobicContact CD1-CD2 3.85Å; Y360-Y372 AromaticContact CD1-CE2 3.49Å; Y360-Y372 HydrophobicContact CD1-CE2 3.49Å; Y360-Y372 VanDerWaalsContact CD1-CE2 3.49Å; Y360-Y372 HydrophobicContact CE1-CD2 4.24Å; Y360-Y372 HydrophobicContact CE1-CE1 4.34Å; Y360-Y372 AromaticContact CE1-CE2 3.5Å; Y360-Y372 HydrophobicContact CE1-CE2 3.5Å; Y360-Y372 AromaticContact CE1-CZ 3.56Å; Y360-Y372 HydrophobicContact CG-CE2 4.5Å; Y360-F373 WeakPolarHBondContact O-CD2 3.27Å; Y360-W374 HydrophobicContact CD1-CB 4.15Å; Y360-W374 HydrophobicContact CD2-CB 4.49Å; Y360-W374 HydrophobicContact CD2-CE3 4.08Å; Y360-W374 HydrophobicContact CE2-CE3 4.05Å; Y360-W374 HydrophobicContact CG-CB 3.84Å; Y360-W374 HydrophobicContact CG-CE3 4.4Å; Y360-W374 PolarHBondContact O-N 2.93Å
361	D	88.4	Confident	84.2	Confident	60 Å²	60	56.5 Å²	56.5	32%	0.321	29%	0.294	S	S	.	.			trans	-64.9	168.4	-172.8	72.1	71.9	0	0	0	114	N359 T363 K364	N359-D361 PolarHBondContact O-N 2.79Å; N359-D361 VanDerWaalsContact O-N 3.14Å; D361-T363 VanDerWaalsContact C-N 3.25Å; D361-T363 PolarHBondContact O-N 3.04Å; D361-T363 WeakPolarHBondContact OD1-CA 3.27Å; D361-T363 VanDerWaalsContact OD1-CB 3.31Å; D361-T363 WeakPolarHBondContact OD1-CB 3.49Å; D361-T363 PolarHBondContact OD1-N 3Å; D361-T363 PolarHBondContact OD1-OG1 3.3Å; D361-K364 WeakPolarHBondContact O-CB 3.36Å; D361-K364 PolarHBondContact O-N 3.18Å
362	A	87.6	Confident	84.1	Confident	8 Å²	8	55.2 Å²	55.2	7%	0.066	29%	0.289	C	S	.	.	H	α-helix	trans	-64.3	-28.1	-172.6	0	0	0	0	0	113.5	I350 T352 K364 A365 F373 F384	I350-A362 HydrophobicContact CB-CB 4.27Å; I350-A362 HydrophobicContact CG2-CB 3.65Å; T352-A362 HydrophobicContact CG2-CB 3.8Å; A362-K364 PolarHBondContact O-N 2.96Å; A362-A365 PolarHBondContact O-N 2.65Å; A362-F373 HydrophobicContact CB-CD2 4.27Å; A362-F384 HydrophobicContact CB-CD2 4.29Å; A362-F384 HydrophobicContact CB-CE2 3.54Å; A362-F384 HydrophobicContact CB-CZ 3.95Å; A362-F384 VanDerWaalsContact O-CZ 3.22Å; A362-F384 WeakPolarHBondContact O-CZ 3.47Å
363	T	86.6	Confident	84.2	Confident	79 Å²	79	53.4 Å²	53.4	49%	0.485	28%	0.278	S	S	.	.	H	α-helix	trans	-64.8	-25.6	-178.3	69.9	0	0	0	0	112	I350 D361 A365 Y366 S367	I350-T363 HydrophobicContact CB-CG2 4.44Å; I350-T363 HydrophobicContact CG1-CG2 4.41Å; D361-T363 VanDerWaalsContact C-N 3.25Å; D361-T363 PolarHBondContact O-N 3.04Å; D361-T363 WeakPolarHBondContact OD1-CA 3.27Å; D361-T363 VanDerWaalsContact OD1-CB 3.31Å; D361-T363 WeakPolarHBondContact OD1-CB 3.49Å; D361-T363 PolarHBondContact OD1-N 3Å; D361-T363 PolarHBondContact OD1-OG1 3.3Å; T363-A365 PolarHBondContact O-N 3.1Å; T363-Y366 CarbonylContact O-C 3.53Å; T363-Y366 PolarHBondContact O-N 3.05Å; T363-S367 WeakPolarHBondContact O-CB 3.47Å; T363-S367 PolarHBondContact O-N 2.83Å
364	K	87.8	Confident	84.2	Confident	17 Å²	17	51.2 Å²	51.2	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-36.7	-179.7	-63.5	-175.9	170.3	-154.7	0	113.7	N359 D361 A362 Y366 S367 E371	N359-K364 WeakPolarHBondContact O-CE 3.32Å; N359-K364 PolarHBondContact O-NZ 3.14Å; D361-K364 WeakPolarHBondContact O-CB 3.36Å; D361-K364 PolarHBondContact O-N 3.18Å; A362-K364 PolarHBondContact O-N 2.96Å; K364-Y366 VanDerWaalsContact C-N 3.29Å; K364-Y366 PolarHBondContact O-N 3.38Å; K364-S367 VanDerWaalsContact O-CB 3.28Å; K364-S367 WeakPolarHBondContact O-CB 3.17Å; K364-S367 PolarHBondContact O-N 3.42Å; K364-E371 HydrophobicContact CB-CB 3.85Å; K364-E371 HydrophobicContact CD-CB 3.98Å; K364-E371 HydrophobicContact CD-CG 4.5Å; K364-E371 WeakPolarHBondContact CE-OE1 3.36Å; K364-E371 VanDerWaalsContact CE-OE2 3.29Å; K364-E371 WeakPolarHBondContact CE-OE2 3.42Å; K364-E371 HydrophobicContact CG-CB 4.04Å; K364-E371 WeakPolarHBondContact CG-OE2 3.36Å; K364-E371 IonicContact NZ-OE1 3.13Å; K364-E371 PolarHBondContact NZ-OE1 3.33Å; K364-E371 IonicContact NZ-OE2 3.31Å
365	A	88.9	Confident	84.2	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-72.1	-21.2	177.5	0	0	0	0	0	114.3	A362 T363 F373 F384 I475 I478	A362-A365 PolarHBondContact O-N 2.65Å; T363-A365 PolarHBondContact O-N 3.1Å; A365-F373 HydrophobicContact CB-CB 3.58Å; A365-F384 HydrophobicContact CB-CE2 4.24Å; A365-F384 HydrophobicContact CB-CZ 3.87Å; A365-I475 HydrophobicContact CB-CB 3.86Å; A365-I475 HydrophobicContact CB-CG2 3.75Å; A365-I475 WeakPolarHBondContact CB-O 3.38Å; A365-I478 HydrophobicContact CB-CD1 4.3Å; A365-I478 PolarHBondContact O-N 3.09Å
366	Y	87.6	Confident	84.3	Confident	21 Å²	21	50 Å²	50	8%	0.082	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-1.7	174.4	-164.9	-108.6	0	0	0	112.1	N345 P346 A348 I350 T363 K364 I386 F388 I478 L480	N345-Y366 WeakPolarHBondContact CA-OH 2.98Å; N345-Y366 HydrophobicContact CB-CE1 4.34Å; N345-Y366 HydrophobicContact CB-CE2 4.3Å; P346-Y366 WeakPolarHBondContact CD-OH 3.47Å; P346-Y366 VanDerWaalsContact N-OH 3.17Å; P346-Y366 VanDerWaalsContact O-CE1 3.32Å; P346-Y366 WeakPolarHBondContact O-CE1 3.23Å; P346-Y366 PolarHBondContact O-OH 3.21Å; A348-Y366 HydrophobicContact CB-CE1 3.86Å; I350-Y366 HydrophobicContact CD1-CD1 3.58Å; I350-Y366 HydrophobicContact CD1-CD2 4.36Å; I350-Y366 HydrophobicContact CD1-CE1 4.31Å; I350-Y366 HydrophobicContact CD1-CG 3.59Å; I350-Y366 HydrophobicContact CG1-CD1 4.38Å; I350-Y366 HydrophobicContact CG1-CG 4.42Å; T363-Y366 CarbonylContact O-C 3.53Å; T363-Y366 PolarHBondContact O-N 3.05Å; K364-Y366 VanDerWaalsContact C-N 3.29Å; K364-Y366 PolarHBondContact O-N 3.38Å; Y366-I386 HydrophobicContact CD2-CD1 3.58Å; Y366-I386 HydrophobicContact CD2-CG1 4.17Å; Y366-I386 HydrophobicContact CD2-CG2 4.35Å; Y366-I386 HydrophobicContact CE1-CG2 4.42Å; Y366-I386 HydrophobicContact CE2-CD1 3.75Å; Y366-I386 HydrophobicContact CE2-CG1 4.46Å; Y366-I386 HydrophobicContact CE2-CG2 3.98Å; Y366-F388 WeakPolarHBondContact OH-CE1 3.4Å; Y366-I478 HydrophobicContact CD2-CB 4.08Å; Y366-I478 HydrophobicContact CD2-CG2 3.93Å; Y366-I478 HydrophobicContact CE2-CG2 4.23Å; Y366-L480 HydrophobicContact CE2-CD1 3.63Å; Y366-L480 HydrophobicContact CE2-CG 4.1Å
367	S	69.8	Low	84.5	Confident	44 Å²	44	50 Å²	50	31%	0.308	25%	0.254	S	S	.	.	S	Bend	trans	-77.7	155.9	177.8	-172.4	0	0	0	0	110.6	T363 K364 V369	T363-S367 WeakPolarHBondContact O-CB 3.47Å; T363-S367 PolarHBondContact O-N 2.83Å; K364-S367 VanDerWaalsContact O-CB 3.28Å; K364-S367 WeakPolarHBondContact O-CB 3.17Å; K364-S367 PolarHBondContact O-N 3.42Å; S367-V369 VanDerWaalsContact C-N 3.34Å; S367-V369 PolarHBondContact OG-N 2.92Å; S367-V369 VanDerWaalsContact OG-N 3.15Å
368	T	57.7	Low	84.8	Confident	24 Å²	24	48 Å²	48	15%	0.147	25%	0.246	C	C	.	.	S	Bend	trans	-94.5	7.9	172	45.7	0	0	0	0	111.6	R308 K310	R308-T368 WeakPolarHBondContact O-CB 3.39Å; R308-T368 PolarHBondContact O-OG1 2.98Å; K310-T368 WeakPolarHBondContact CD-O 3.36Å; K310-T368 WeakPolarHBondContact CE-O 3.5Å; K310-T368 WeakPolarHBondContact CG-O 3.15Å
369	V	57.6	Low	85.1	Confident	28 Å²	28	43.9 Å²	43.9	17%	0.17	23%	0.234	C	C	.	.	S	Bend	trans	-93.1	154.7	171.6	-173.7	0	0	0	0	108.5	V306 R308 S367 E371	V306-V369 HydrophobicContact CB-CG2 4.38Å; V306-V369 HydrophobicContact CG1-CG2 4.22Å; R308-V369 HydrophobicContact CB-CG2 3.96Å; S367-V369 VanDerWaalsContact C-N 3.34Å; S367-V369 PolarHBondContact OG-N 2.92Å; S367-V369 VanDerWaalsContact OG-N 3.15Å; V369-E371 HydrophobicContact CG1-CG 4.16Å; V369-E371 PolarHBondContact O-N 3.09Å
370	D	63.8	Low	85.7	Confident	114 Å²	114	43.2 Å²	43.2	61%	0.61	23%	0.233	S	C	*	.	S	Bend	trans	-73.4	63.9	178.3	-148.9	34.1	0	0	0	112	K310	K310-D370 VanDerWaalsContact NZ-CA 3.33Å; K310-D370 VanDerWaalsContact NZ-CG 3.27Å; K310-D370 IonicContact NZ-OD1 3.8Å; K310-D370 PolarHBondContact NZ-OD1 2.81Å
371	E	78.8	Confident	86.1	Confident	78 Å²	78	42.6 Å²	42.6	36%	0.364	24%	0.244	S	C	.	.			trans	-131.4	164	176.1	-63.4	-167.1	120.3	0	0	108.6	K364 V369	K364-E371 HydrophobicContact CB-CB 3.85Å; K364-E371 HydrophobicContact CD-CB 3.98Å; K364-E371 HydrophobicContact CD-CG 4.5Å; K364-E371 WeakPolarHBondContact CE-OE1 3.36Å; K364-E371 VanDerWaalsContact CE-OE2 3.29Å; K364-E371 WeakPolarHBondContact CE-OE2 3.42Å; K364-E371 HydrophobicContact CG-CB 4.04Å; K364-E371 WeakPolarHBondContact CG-OE2 3.36Å; K364-E371 IonicContact NZ-OE1 3.13Å; K364-E371 PolarHBondContact NZ-OE1 3.33Å; K364-E371 IonicContact NZ-OE2 3.31Å; V369-E371 HydrophobicContact CG1-CG 4.16Å; V369-E371 PolarHBondContact O-N 3.09Å
372	Y	88.6	Confident	86.4	Confident	53 Å²	53	41.1 Å²	41.1	21%	0.208	24%	0.236	C	C	.	.			trans	-140	156.2	-179.2	50.9	-97.2	0	0	0	110	Y360 W374 I474 I475	Y360-Y372 AromaticContact CD1-CD2 3.85Å; Y360-Y372 HydrophobicContact CD1-CD2 3.85Å; Y360-Y372 AromaticContact CD1-CE2 3.49Å; Y360-Y372 HydrophobicContact CD1-CE2 3.49Å; Y360-Y372 VanDerWaalsContact CD1-CE2 3.49Å; Y360-Y372 HydrophobicContact CE1-CD2 4.24Å; Y360-Y372 HydrophobicContact CE1-CE1 4.34Å; Y360-Y372 AromaticContact CE1-CE2 3.5Å; Y360-Y372 HydrophobicContact CE1-CE2 3.5Å; Y360-Y372 AromaticContact CE1-CZ 3.56Å; Y360-Y372 HydrophobicContact CG-CE2 4.5Å; Y372-W374 HydrophobicContact CD2-CB 4.06Å; Y372-W374 HydrophobicContact CE2-CB 3.94Å; Y372-W374 HydrophobicContact CE2-CD2 4.5Å; Y372-W374 HydrophobicContact CE2-CG 4.25Å; Y372-I474 HydrophobicContact CD2-CG1 4.25Å; Y372-I474 HydrophobicContact CD2-CG2 3.67Å; Y372-I474 HydrophobicContact CE2-CD1 4.24Å; Y372-I474 HydrophobicContact CE2-CG1 4.29Å; Y372-I474 HydrophobicContact CE2-CG2 4.37Å; Y372-I474 HydrophobicContact CG-CG2 3.83Å; Y372-I475 WeakPolarHBondContact CB-O 3.5Å
373	F	94.3	Very high	86.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	136.4	165.2	167.7	-102.1	0	0	0	108.7	T352 I354 V356 Y360 A362 A365 F384 I474 I475	T352-F373 HydrophobicContact CG2-CE2 4.06Å; T352-F373 HydrophobicContact CG2-CZ 4.4Å; I354-F373 HydrophobicContact CB-CE1 4.45Å; I354-F373 HydrophobicContact CB-CZ 3.92Å; I354-F373 HydrophobicContact CD1-CE1 4.4Å; I354-F373 HydrophobicContact CG2-CE1 4.15Å; I354-F373 HydrophobicContact CG2-CZ 3.81Å; V356-F373 HydrophobicContact CG2-CE2 3.86Å; Y360-F373 WeakPolarHBondContact O-CD2 3.27Å; A362-F373 HydrophobicContact CB-CD2 4.27Å; A365-F373 HydrophobicContact CB-CB 3.58Å; F373-F384 HydrophobicContact CB-CE2 4.09Å; F373-F384 HydrophobicContact CD1-CD2 4.3Å; F373-F384 HydrophobicContact CD1-CE2 4.25Å; F373-F384 HydrophobicContact CD2-CE2 4.15Å; F373-F384 HydrophobicContact CE1-CD2 4.47Å; F373-F384 HydrophobicContact CG-CD2 4.35Å; F373-F384 AromaticContact CG-CE2 3.89Å; F373-F384 HydrophobicContact CG-CE2 3.89Å; F373-I474 VanDerWaalsContact O-CA 3.24Å; F373-I474 WeakPolarHBondContact O-CA 3.1Å; F373-I475 HydrophobicContact CB-CB 4.23Å; F373-I475 HydrophobicContact CD1-CB 4.24Å; F373-I475 HydrophobicContact CD1-CD1 3.77Å; F373-I475 HydrophobicContact CD1-CG1 3.94Å; F373-I475 HydrophobicContact CE1-CD1 4.29Å; F373-I475 PolarHBondContact N-O 3.37Å; F373-I475 VanDerWaalsContact N-O 3.14Å; F373-I475 PolarHBondContact O-N 2.88Å
374	W	94.6	Very high	87.2	Confident	20 Å²	20	38.8 Å²	38.8	8%	0.076	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	111.4	172.3	-162.5	20.6	0	0	0	109.8	F357 Y360 Y372 D409 W472 L473 I474	F357-W374 HydrophobicContact CB-CD2 4.47Å; F357-W374 HydrophobicContact CB-CE3 4.41Å; F357-W374 WeakPolarHBondContact CB-O 3.41Å; F357-W374 HydrophobicContact CD1-CD2 4.06Å; F357-W374 AromaticContact CD1-CE3 3.22Å; F357-W374 HydrophobicContact CD1-CE3 3.22Å; F357-W374 HydrophobicContact CD1-CH2 4.15Å; F357-W374 AromaticContact CD1-CZ3 3.27Å; F357-W374 HydrophobicContact CD1-CZ3 3.27Å; F357-W374 AromaticContact CE1-CE3 3.68Å; F357-W374 HydrophobicContact CE1-CE3 3.68Å; F357-W374 HydrophobicContact CE1-CH2 4.01Å; F357-W374 AromaticContact CE1-CZ3 3.2Å; F357-W374 HydrophobicContact CE1-CZ3 3.2Å; F357-W374 HydrophobicContact CG-CD2 4.47Å; F357-W374 HydrophobicContact CG-CE3 4.03Å; F357-W374 HydrophobicContact CG-CZ3 4.14Å; F357-W374 HydrophobicContact CZ-CH2 4.42Å; F357-W374 HydrophobicContact CZ-CZ3 4.01Å; F357-W374 PolarHBondContact N-O 3.09Å; Y360-W374 HydrophobicContact CD1-CB 4.15Å; Y360-W374 HydrophobicContact CD2-CB 4.49Å; Y360-W374 HydrophobicContact CD2-CE3 4.08Å; Y360-W374 HydrophobicContact CE2-CE3 4.05Å; Y360-W374 HydrophobicContact CG-CB 3.84Å; Y360-W374 HydrophobicContact CG-CE3 4.4Å; Y360-W374 PolarHBondContact O-N 2.93Å; Y372-W374 HydrophobicContact CD2-CB 4.06Å; Y372-W374 HydrophobicContact CE2-CB 3.94Å; Y372-W374 HydrophobicContact CE2-CD2 4.5Å; Y372-W374 HydrophobicContact CE2-CG 4.25Å; W374-D409 PolarHBondContact NE1-OD2 2.97Å; W374-W472 HydrophobicContact CD2-CE3 4.03Å; W374-W472 HydrophobicContact CD2-CZ3 4.28Å; W374-W472 AromaticContact CE2-CE3 3.33Å; W374-W472 AromaticContact CE2-CZ3 3.81Å; W374-W472 HydrophobicContact CG-CE3 4.47Å; W374-W472 HydrophobicContact CH2-CE3 4.02Å; W374-W472 AromaticContact CH2-CZ3 3.67Å; W374-W472 HydrophobicContact CH2-CZ3 3.67Å; W374-W472 HydrophobicContact CZ2-CD2 4.24Å; W374-W472 AromaticContact CZ2-CE3 3.33Å; W374-W472 HydrophobicContact CZ2-CE3 3.33Å; W374-W472 AromaticContact CZ2-CZ3 3.49Å; W374-W472 HydrophobicContact CZ2-CZ3 3.49Å; W374-W472 VanDerWaalsContact CZ2-CZ3 3.49Å; W374-W472 HydrophobicContact CZ3-CZ3 4.23Å; W374-W472 AromaticContact NE1-CE3 3.54Å; W374-L473 WeakPolarHBondContact CA-O 3.16Å; W374-I474 HydrophobicContact CB-CG1 4.48Å; W374-I474 HydrophobicContact CG-CG1 3.92Å
375	G	95.6	Very high	87.6	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	150.8	179.6	0	0	0	0	0	112.1	N355 W472 L473	N355-G375 CarbonylContact O-C 3.57Å; N355-G375 WeakPolarHBondContact O-CA 3.42Å; G375-W472 VanDerWaalsContact O-CB 3.3Å; G375-W472 WeakPolarHBondContact O-CB 3.32Å; G375-L473 PolarHBondContact N-O 3.04Å; G375-L473 PolarHBondContact O-N 3.39Å
376	K	95.5	Very high	87.8	Confident	100 Å²	100	38 Å²	38	44%	0.435	22%	0.215	S	C	.	.	S	Bend	trans	-61.3	167.8	164	-66.9	-173.3	-179.3	178.2	0	110.6	N355 P378	N355-K376 HydrophobicContact CB-CB 4.07Å; N355-K376 HydrophobicContact CB-CD 4.12Å; N355-K376 HydrophobicContact CB-CG 4.34Å; N355-K376 PolarHBondContact O-N 3.1Å; K376-P378 WeakPolarHBondContact O-CD 3.43Å; K376-P378 VanDerWaalsContact O-N 3.12Å
377	P	97.3	Very high	88.1	Confident	54 Å²	54	37.5 Å²	37.5	35%	0.351	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-53.9	118.7	-173.6	-28.1	37.4	0	0	0	112.3	Q469 K470 E471 W472	P377-Q469 WeakPolarHBondContact CB-O 3.02Å; P377-K470 WeakPolarHBondContact CB-O 3.16Å; P377-K470 WeakPolarHBondContact CG-O 3.18Å; P377-E471 WeakPolarHBondContact CA-O 3.4Å; P377-W472 VanDerWaalsContact CD-CD1 3.49Å; P377-W472 HydrophobicContact CG-CG 4.44Å
378	P	96.8	Very high	89.1	Confident	1 Å²	1	36 Å²	36	1%	0.006	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-80.1	151.7	-178	31.8	-35.3	0	0	0	111.9	I354 K376 D382 V465 Q469 L473	I354-P378 HydrophobicContact CG1-CB 4.37Å; I354-P378 HydrophobicContact CG2-CB 4.45Å; K376-P378 WeakPolarHBondContact O-CD 3.43Å; K376-P378 VanDerWaalsContact O-N 3.12Å; P378-D382 HydrophobicContact CB-CB 4.33Å; P378-V465 HydrophobicContact CB-CG1 4.29Å; P378-V465 HydrophobicContact CB-CG2 3.94Å; P378-V465 HydrophobicContact CG-CG1 4.42Å; P378-V465 HydrophobicContact CG-CG2 4.33Å; P378-Q469 HydrophobicContact CG-CG 3.73Å; P378-Q469 PolarHBondContact O-N 2.82Å; P378-L473 HydrophobicContact CG-CB 4.17Å; P378-L473 HydrophobicContact CG-CD2 4.22Å
379	S	97.7	Very high	90.5	Very high	63 Å²	63	40.7 Å²	40.7	44%	0.441	23%	0.225	S	C	.	.			trans	-104.7	158.7	175.6	-62.8	0	0	0	0	111.7	G381 D382 V465 S468	S379-G381 PolarHBondContact O-N 3.38Å; S379-D382 PolarHBondContact N-OD2 3.46Å; S379-D382 VanDerWaalsContact O-CB 3.27Å; S379-D382 WeakPolarHBondContact O-CB 3.25Å; S379-D382 PolarHBondContact O-N 3.49Å; S379-V465 WeakPolarHBondContact O-CG1 3.38Å; S379-S468 WeakPolarHBondContact CA-OG 3.32Å
380	T	97.6	Very high	92	Very high	86 Å²	86	47.4 Å²	47.4	53%	0.528	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	127.7	171.9	-56.8	0	0	0	0	111.1	T466 A467 S468	T380-T466 WeakPolarHBondContact CG2-O 3.29Å; T380-A467 WeakPolarHBondContact OG1-CA 3.12Å; T380-S468 PolarHBondContact N-OG 3.22Å; T380-S468 PolarHBondContact OG1-N 3.37Å; T380-S468 PolarHBondContact OG1-OG 2.91Å
381	G	94.9	Very high	93.2	Very high	43 Å²	43	43.8 Å²	43.8	44%	0.443	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-8	-178.6	0	0	0	0	0	114.7	S379 V465	S379-G381 PolarHBondContact O-N 3.38Å; G381-V465 PolarHBondContact N-O 3.27Å
382	D	96.4	Very high	93.8	Very high	30 Å²	30	41.1 Å²	41.1	16%	0.16	23%	0.225	C	C	.	.			trans	-63.8	151.1	168	-72.6	-19.4	0	0	0	110.7	N353 I354 P378 S379 V465	N353-D382 PolarHBondContact ND2-OD1 2.95Å; N353-D382 VanDerWaalsContact OD1-CA 3.3Å; N353-D382 WeakPolarHBondContact OD1-CA 3.41Å; I354-D382 HydrophobicContact CG1-CB 3.77Å; P378-D382 HydrophobicContact CB-CB 4.33Å; S379-D382 PolarHBondContact N-OD2 3.46Å; S379-D382 VanDerWaalsContact O-CB 3.27Å; S379-D382 WeakPolarHBondContact O-CB 3.25Å; S379-D382 PolarHBondContact O-N 3.49Å; D382-V465 HydrophobicContact CB-CB 4.41Å; D382-V465 HydrophobicContact CB-CG2 4.24Å; D382-V465 WeakPolarHBondContact O-CB 3.39Å; D382-V465 WeakPolarHBondContact O-CG2 3.09Å; D382-V465 PolarHBondContact O-N 3.03Å
383	F	95.1	Very high	93.9	Very high	37 Å²	37	43.1 Å²	43.1	16%	0.162	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.7	-172.1	67.4	-92.6	0	0	0	112.7	T352 N353 V385 R462 I463	T352-F383 WeakPolarHBondContact CA-O 2.96Å; T352-F383 PolarHBondContact OG1-O 2.94Å; N353-F383 HydrophobicContact CB-CD1 4.35Å; N353-F383 HydrophobicContact CB-CE1 3.84Å; N353-F383 HydrophobicContact CB-CZ 4.09Å; N353-F383 PolarHBondContact N-O 3.15Å; N353-F383 WeakPolarHBondContact OD1-CD1 3.45Å; N353-F383 PolarHBondContact OD1-N 3.43Å; N353-F383 PolarHBondContact OD1-O 3.13Å; F383-V385 HydrophobicContact CD2-CB 4.14Å; F383-V385 HydrophobicContact CD2-CG1 3.99Å; F383-V385 HydrophobicContact CE2-CB 4.49Å; F383-V385 HydrophobicContact CE2-CG1 3.85Å; F383-R462 HydrophobicContact CB-CG 4.08Å; F383-I463 CarbonylContact C-O 3.57Å; F383-I463 WeakPolarHBondContact CA-O 3.43Å
384	F	95.5	Very high	93.9	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	121.6	166.5	-174.3	-72.4	0	0	0	107.4	I350 A362 A365 F373 I386 R462 I463 I475 I478	I350-F384 HydrophobicContact CG2-CD1 4.25Å; I350-F384 HydrophobicContact CG2-CE1 3.38Å; I350-F384 HydrophobicContact CG2-CE2 4.14Å; I350-F384 HydrophobicContact CG2-CZ 3.33Å; A362-F384 HydrophobicContact CB-CD2 4.29Å; A362-F384 HydrophobicContact CB-CE2 3.54Å; A362-F384 HydrophobicContact CB-CZ 3.95Å; A362-F384 VanDerWaalsContact O-CZ 3.22Å; A362-F384 WeakPolarHBondContact O-CZ 3.47Å; A365-F384 HydrophobicContact CB-CE2 4.24Å; A365-F384 HydrophobicContact CB-CZ 3.87Å; F373-F384 HydrophobicContact CB-CE2 4.09Å; F373-F384 HydrophobicContact CD1-CD2 4.3Å; F373-F384 HydrophobicContact CD1-CE2 4.25Å; F373-F384 HydrophobicContact CD2-CE2 4.15Å; F373-F384 HydrophobicContact CE1-CD2 4.47Å; F373-F384 HydrophobicContact CG-CD2 4.35Å; F373-F384 AromaticContact CG-CE2 3.89Å; F373-F384 HydrophobicContact CG-CE2 3.89Å; F384-I386 HydrophobicContact CE1-CG1 4.22Å; F384-R462 CarbonylContact O-C 3.58Å; F384-R462 WeakPolarHBondContact O-CA 3.45Å; F384-I463 HydrophobicContact CB-CB 4.24Å; F384-I463 HydrophobicContact CB-CD1 4.41Å; F384-I463 HydrophobicContact CD1-CD1 4.3Å; F384-I463 PolarHBondContact N-O 3.1Å; F384-I463 PolarHBondContact O-N 3.05Å; F384-I475 HydrophobicContact CB-CD1 4.01Å; F384-I475 HydrophobicContact CD1-CD1 4.39Å; F384-I475 HydrophobicContact CD2-CD1 3.46Å; F384-I475 VanDerWaalsContact CD2-CD1 3.46Å; F384-I475 HydrophobicContact CE2-CD1 3.9Å; F384-I475 HydrophobicContact CG-CD1 3.73Å; F384-I478 HydrophobicContact CD1-CD1 4.1Å; F384-I478 HydrophobicContact CE1-CD1 3.48Å; F384-I478 VanDerWaalsContact CE1-CD1 3.48Å; F384-I478 HydrophobicContact CZ-CD1 4.05Å
385	V	94.7	Very high	93.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134	-173.9	68.8	0	0	0	0	111.7	I350 Y351 F383 V387 C460 V461 R462	I350-V385 WeakPolarHBondContact CA-O 3.37Å; Y351-V385 HydrophobicContact CD2-CG1 4.31Å; Y351-V385 PolarHBondContact N-O 2.76Å; Y351-V385 WeakPolarHBondContact O-CG1 3.17Å; Y351-V385 PolarHBondContact O-N 3.21Å; F383-V385 HydrophobicContact CD2-CB 4.14Å; F383-V385 HydrophobicContact CD2-CG1 3.99Å; F383-V385 HydrophobicContact CE2-CB 4.49Å; F383-V385 HydrophobicContact CE2-CG1 3.85Å; V385-V387 HydrophobicContact CG2-CG2 4.23Å; V385-C460 HydrophobicContact CG2-CB 4.08Å; V385-V461 CarbonylContact C-O 3.59Å; V385-V461 WeakPolarHBondContact CA-O 3.48Å; V385-R462 HydrophobicContact CB-CB 4.47Å; V385-R462 HydrophobicContact CB-CG 4.45Å; V385-R462 HydrophobicContact CG2-CB 4.21Å
386	I	94.6	Very high	93.7	Very high	2 Å²	2	45 Å²	45	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.7	172.1	-56.2	166.7	0	0	0	106.2	A348 I350 Y366 F384 F388 C460 V461 I478 L480	A348-I386 HydrophobicContact CB-CG2 3.45Å; A348-I386 VanDerWaalsContact CB-CG2 3.45Å; I350-I386 HydrophobicContact CD1-CB 4.17Å; I350-I386 HydrophobicContact CD1-CG1 3.93Å; I350-I386 HydrophobicContact CD1-CG2 3.85Å; Y366-I386 HydrophobicContact CD2-CD1 3.58Å; Y366-I386 HydrophobicContact CD2-CG1 4.17Å; Y366-I386 HydrophobicContact CD2-CG2 4.35Å; Y366-I386 HydrophobicContact CE1-CG2 4.42Å; Y366-I386 HydrophobicContact CE2-CD1 3.75Å; Y366-I386 HydrophobicContact CE2-CG1 4.46Å; Y366-I386 HydrophobicContact CE2-CG2 3.98Å; F384-I386 HydrophobicContact CE1-CG1 4.22Å; I386-F388 HydrophobicContact CG2-CD1 4.39Å; I386-F388 HydrophobicContact CG2-CE1 3.96Å; I386-F388 HydrophobicContact CG2-CZ 4.27Å; I386-C460 CarbonylContact O-C 3.48Å; I386-C460 WeakPolarHBondContact O-CA 3.47Å; I386-V461 HydrophobicContact CB-CB 4.23Å; I386-V461 HydrophobicContact CD1-CB 4.29Å; I386-V461 HydrophobicContact CD1-CG1 4.45Å; I386-V461 PolarHBondContact N-O 2.87Å; I386-V461 PolarHBondContact O-N 3.2Å; I386-I478 HydrophobicContact CD1-CB 4.47Å; I386-I478 HydrophobicContact CD1-CD1 3.88Å; I386-I478 HydrophobicContact CD1-CG2 3.61Å; I386-L480 HydrophobicContact CD1-CD1 4.46Å
387	V	92.3	Very high	93.7	Very high	9 Å²	9	40.2 Å²	40.2	6%	0.055	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	110.4	178.2	172.9	0	0	0	0	108.6	A348 G349 Y351 V385 L422 K429 E459	A348-V387 CarbonylContact C-O 3.53Å; A348-V387 WeakPolarHBondContact CA-O 3.05Å; A348-V387 VanDerWaalsContact CB-O 3.27Å; A348-V387 WeakPolarHBondContact CB-O 3.48Å; G349-V387 PolarHBondContact N-O 2.85Å; G349-V387 PolarHBondContact O-N 3.05Å; Y351-V387 HydrophobicContact CD2-CB 4.41Å; Y351-V387 HydrophobicContact CD2-CG2 3.91Å; Y351-V387 HydrophobicContact CE2-CB 4.05Å; Y351-V387 HydrophobicContact CE2-CG2 3.96Å; V385-V387 HydrophobicContact CG2-CG2 4.23Å; V387-L422 HydrophobicContact CB-CD1 4.43Å; V387-L422 HydrophobicContact CG1-CD1 3.32Å; V387-L422 HydrophobicContact CG1-CD2 4.35Å; V387-L422 HydrophobicContact CG1-CG 4.42Å; V387-L422 HydrophobicContact CG2-CD1 4.32Å; V387-K429 HydrophobicContact CG2-CB 4.36Å; V387-K429 WeakPolarHBondContact CG2-O 3.39Å; V387-E459 WeakPolarHBondContact CA-O 3.26Å
388	F	91.1	Very high	93.5	Very high	12 Å²	12	43.6 Å²	43.6	5%	0.053	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	146	-178.6	-58.2	-65.8	0	0	0	111.9	P346 A348 Y366 I386 K390 I394 I458 E459 V461 L480	P346-F388 HydrophobicContact CB-CD1 3.9Å; P346-F388 HydrophobicContact CB-CE1 4.16Å; P346-F388 HydrophobicContact CG-CD1 4.37Å; P346-F388 HydrophobicContact CG-CE1 4.18Å; A348-F388 HydrophobicContact CB-CD1 3.93Å; A348-F388 HydrophobicContact CB-CE1 4.46Å; Y366-F388 WeakPolarHBondContact OH-CE1 3.4Å; I386-F388 HydrophobicContact CG2-CD1 4.39Å; I386-F388 HydrophobicContact CG2-CE1 3.96Å; I386-F388 HydrophobicContact CG2-CZ 4.27Å; F388-K390 WeakPolarHBondContact CB-O 3.49Å; F388-K390 PolarHBondContact O-N 2.66Å; F388-I394 HydrophobicContact CE2-CD1 3.75Å; F388-I394 HydrophobicContact CZ-CD1 3.69Å; F388-I458 VanDerWaalsContact CD2-O 3.26Å; F388-I458 WeakPolarHBondContact CD2-O 3.39Å; F388-I458 HydrophobicContact CE2-CG2 3.96Å; F388-E459 WeakPolarHBondContact CD2-O 3.48Å; F388-E459 PolarHBondContact N-O 3.21Å; F388-V461 HydrophobicContact CE2-CG2 3.8Å; F388-V461 HydrophobicContact CZ-CG2 3.78Å; F388-L480 HydrophobicContact CE1-CD1 3.72Å; F388-L480 HydrophobicContact CZ-CD1 3.51Å
389	N	88.1	Confident	93.5	Very high	123 Å²	123	43.6 Å²	43.6	66%	0.658	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	-29.3	172.4	-69	-8.2	0	0	0	111.7	P347	P347-N389 HydrophobicContact CB-CB 4.45Å; P347-N389 PolarHBondContact O-N 3.08Å
390	K	87.8	Confident	93.2	Very high	170 Å²	170	41.1 Å²	41.1	74%	0.739	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	134	175.9	-174	-177.9	177.8	-175.7	0	108.6	F388 T392	F388-K390 WeakPolarHBondContact CB-O 3.49Å; F388-K390 PolarHBondContact O-N 2.66Å; K390-T392 PolarHBondContact O-N 3.31Å; K390-T392 PolarHBondContact O-OG1 3Å
391	S	89.8	Confident	93.1	Very high	38 Å²	38	37.3 Å²	37.3	27%	0.266	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	133.4	175.1	-164.3	0	0	0	0	110.4	D457 I458	S391-D457 WeakPolarHBondContact OG-CB 3.49Å; S391-D457 PolarHBondContact OG-O 2.97Å; S391-I458 PolarHBondContact OG-O 2.67Å
392	T	90.8	Very high	92.9	Very high	22 Å²	22	35.4 Å²	35.4	14%	0.135	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.5	-164.8	-61.4	0	0	0	0	111.7	P346 K390 I394 I458 T482	P346-T392 HydrophobicContact CG-CG2 3.95Å; K390-T392 PolarHBondContact O-N 3.31Å; K390-T392 PolarHBondContact O-OG1 3Å; T392-I394 HydrophobicContact CG2-CG1 4.46Å; T392-I458 PolarHBondContact N-O 3.41Å; T392-I458 PolarHBondContact O-N 3.06Å; T392-T482 HydrophobicContact CG2-CG2 3.31Å
393	K	92.6	Very high	92.4	Very high	95 Å²	95	34.7 Å²	34.7	41%	0.413	17%	0.17	S	C	.	.			trans	-80.6	117.9	171.2	-165.4	166.4	178.2	169	0	110.2	D451 T482 T483	K393-D451 HydrophobicContact CD-CB 4.35Å; K393-D451 HydrophobicContact CG-CB 3.9Å; K393-T482 CarbonylContact O-C 3.56Å; K393-T482 VanDerWaalsContact O-CA 3.26Å; K393-T482 WeakPolarHBondContact O-CA 3.42Å; K393-T482 WeakPolarHBondContact O-CB 3.47Å; K393-T483 PolarHBondContact O-N 3.45Å
394	I	93.6	Very high	91.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.4	-175.5	-59.5	179.6	0	0	0	109	F388 T392 K396 I397 V450 D451 I458 V461 L480 W481	F388-I394 HydrophobicContact CE2-CD1 3.75Å; F388-I394 HydrophobicContact CZ-CD1 3.69Å; T392-I394 HydrophobicContact CG2-CG1 4.46Å; I394-K396 WeakPolarHBondContact CG2-O 3.4Å; I394-I397 HydrophobicContact CD1-CD1 4.38Å; I394-I397 HydrophobicContact CG2-CD1 4.06Å; I394-I397 HydrophobicContact CG2-CG1 3.54Å; I394-V450 HydrophobicContact CB-CG1 4.3Å; I394-V450 HydrophobicContact CG2-CB 4.44Å; I394-V450 HydrophobicContact CG2-CG1 4.37Å; I394-V450 CarbonylContact O-C 3.51Å; I394-V450 VanDerWaalsContact O-CB 3.26Å; I394-V450 WeakPolarHBondContact O-CB 3.33Å; I394-D451 WeakPolarHBondContact O-CA 3.47Å; I394-D451 WeakPolarHBondContact O-CB 3.37Å; I394-D451 PolarHBondContact O-N 2.8Å; I394-I458 HydrophobicContact CB-CD1 3.96Å; I394-I458 HydrophobicContact CD1-CB 4.2Å; I394-I458 HydrophobicContact CD1-CD1 3.88Å; I394-I458 HydrophobicContact CD1-CG2 4.2Å; I394-I458 HydrophobicContact CG1-CD1 4.04Å; I394-V461 HydrophobicContact CD1-CG2 3.87Å; I394-L480 HydrophobicContact CD1-CD1 4.47Å; I394-W481 CarbonylContact C-O 3.52Å; I394-W481 WeakPolarHBondContact CA-O 3.38Å; I394-W481 VanDerWaalsContact CG2-O 3.3Å; I394-W481 WeakPolarHBondContact CG2-O 3.47Å
395	S	93.1	Very high	90.8	Very high	32 Å²	32	46.1 Å²	46.1	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-37	175.4	58.2	0	0	0	0	112.4	Q448 D449 V450 W481	S395-Q448 CarbonylContact O-C 3.29Å; S395-D449 PolarHBondContact O-N 3.39Å; S395-V450 PolarHBondContact O-N 3.36Å; S395-W481 PolarHBondContact N-O 3.19Å; S395-W481 WeakPolarHBondContact OG-CB 3.37Å; S395-W481 PolarHBondContact OG-O 3.14Å
396	K	93.6	Very high	90.2	Very high	25 Å²	25	50.3 Å²	50.3	11%	0.109	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	142.5	-177.1	178.8	-178.4	174.5	172.4	0	111.6	D341 I394 E446 V447 Q448 W481	D341-K396 IonicContact OD2-NZ 2.69Å; D341-K396 PolarHBondContact OD2-NZ 2.94Å; I394-K396 WeakPolarHBondContact CG2-O 3.4Å; K396-E446 WeakPolarHBondContact CE-OE1 3.47Å; K396-E446 IonicContact NZ-OE1 2.88Å; K396-E446 PolarHBondContact NZ-OE1 2.94Å; K396-V447 CarbonylContact C-O 3.54Å; K396-V447 VanDerWaalsContact CA-O 3.31Å; K396-V447 WeakPolarHBondContact CA-O 3.38Å; K396-Q448 HydrophobicContact CD-CG 4.33Å; K396-Q448 HydrophobicContact CG-CG 4.23Å; K396-W481 HydrophobicContact CB-CB 4.02Å; K396-W481 HydrophobicContact CB-CD2 4.14Å; K396-W481 HydrophobicContact CB-CE3 3.82Å; K396-W481 HydrophobicContact CB-CG 4.24Å; K396-W481 HydrophobicContact CD-CD2 3.97Å; K396-W481 HydrophobicContact CD-CE3 3.79Å; K396-W481 HydrophobicContact CD-CH2 4.35Å; K396-W481 HydrophobicContact CD-CZ2 4.49Å; K396-W481 HydrophobicContact CD-CZ3 3.99Å; K396-W481 HydrophobicContact CG-CD2 4.19Å; K396-W481 HydrophobicContact CG-CE3 3.62Å; K396-W481 HydrophobicContact CG-CZ3 3.95Å; K396-W481 PolarHBondContact N-O 3.48Å; K396-W481 PolarHBondContact O-N 3.36Å
397	I	95.1	Very high	89.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.1	172.5	-57.8	-178.6	0	0	0	108.5	I394 I399 L416 V418 L437 E446 V447 V450 V461 L480	I394-I397 HydrophobicContact CD1-CD1 4.38Å; I394-I397 HydrophobicContact CG2-CD1 4.06Å; I394-I397 HydrophobicContact CG2-CG1 3.54Å; I397-I399 HydrophobicContact CG2-CD1 4.1Å; I397-I399 HydrophobicContact CG2-CG1 4Å; I397-L416 HydrophobicContact CB-CD2 4.07Å; I397-L416 HydrophobicContact CD1-CD2 4.31Å; I397-L416 HydrophobicContact CG2-CD1 4.34Å; I397-L416 HydrophobicContact CG2-CD2 3.56Å; I397-V418 HydrophobicContact CD1-CG1 4.14Å; I397-L437 HydrophobicContact CD1-CD1 3.91Å; I397-E446 CarbonylContact O-C 3.23Å; I397-E446 VanDerWaalsContact O-CA 3.32Å; I397-E446 WeakPolarHBondContact O-CA 3.3Å; I397-V447 PolarHBondContact N-O 2.89Å; I397-V447 PolarHBondContact O-N 3.46Å; I397-V450 HydrophobicContact CG1-CG2 4.26Å; I397-V461 HydrophobicContact CD1-CG1 4.33Å; I397-V461 HydrophobicContact CD1-CG2 4.34Å; I397-L480 HydrophobicContact CB-CD2 4.01Å; I397-L480 HydrophobicContact CD1-CD2 4.28Å; I397-L480 HydrophobicContact CG1-CD2 3.73Å; I397-L480 HydrophobicContact CG2-CD2 3.58Å
398	R	93.6	Very high	89.2	Confident	126 Å²	126	60.2 Å²	60.2	48%	0.475	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128.4	171.9	-176.3	178.8	174.4	-169.1	-0.8	109.4	I445 E446 S479 W481	R398-I445 WeakPolarHBondContact CA-O 3.39Å; R398-E446 HydrophobicContact CB-CG 4.31Å; R398-E446 HydrophobicContact CG-CB 4.44Å; R398-E446 HydrophobicContact CG-CG 4.44Å; R398-S479 PolarHBondContact N-O 3.06Å; R398-S479 PolarHBondContact O-N 3.13Å; R398-W481 HydrophobicContact CB-CH2 4.09Å; R398-W481 HydrophobicContact CB-CZ3 3.78Å
399	I	95.1	Very high	89.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.8	178.6	-54.9	176.1	0	0	0	108.9	I397 L416 F440 N444 I445 I463 I475 S477 I478	I397-I399 HydrophobicContact CG2-CD1 4.1Å; I397-I399 HydrophobicContact CG2-CG1 4Å; I399-L416 HydrophobicContact CD1-CD1 3.68Å; I399-F440 HydrophobicContact CB-CE1 4.09Å; I399-F440 HydrophobicContact CB-CZ 4.12Å; I399-F440 HydrophobicContact CD1-CZ 4.27Å; I399-F440 HydrophobicContact CG2-CE1 3.8Å; I399-F440 HydrophobicContact CG2-CZ 3.91Å; I399-N444 WeakPolarHBondContact O-CA 3.47Å; I399-I445 HydrophobicContact CB-CG2 3.81Å; I399-I445 HydrophobicContact CD1-CG2 4.43Å; I399-I445 HydrophobicContact CG1-CG2 4.32Å; I399-I445 PolarHBondContact N-O 3.42Å; I399-I445 PolarHBondContact O-N 2.86Å; I399-I463 HydrophobicContact CD1-CD1 3.94Å; I399-I463 HydrophobicContact CD1-CG1 3.85Å; I399-I463 HydrophobicContact CG2-CD1 3.95Å; I399-I475 HydrophobicContact CG2-CG2 4.19Å; I399-S477 WeakPolarHBondContact CA-O 3.35Å; I399-I478 HydrophobicContact CD1-CG2 4.32Å; I399-I478 HydrophobicContact CG1-CB 4.43Å; I399-I478 HydrophobicContact CG1-CG1 4.21Å; I399-I478 HydrophobicContact CG1-CG2 4Å; I399-I478 HydrophobicContact CG2-CG1 3.98Å
400	A	92.9	Very high	89.7	Confident	11 Å²	11	57 Å²	57	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.8	177	0	0	0	0	0	110.7	N444 R476 S477	A400-N444 WeakPolarHBondContact CA-OD1 3.33Å; A400-N444 VanDerWaalsContact CB-OD1 3.31Å; A400-N444 WeakPolarHBondContact CB-OD1 3.33Å; A400-R476 WeakPolarHBondContact O-CB 3.36Å; A400-R476 PolarHBondContact O-N 3.28Å; A400-S477 PolarHBondContact N-O 3.47Å; A400-S477 PolarHBondContact O-N 3.44Å
401	T	94.7	Very high	90.2	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.037	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	165.4	178	67.8	0	0	0	0	111.2	L411 F440 G443 L473 I474 I475	T401-L411 HydrophobicContact CG2-CB 3.97Å; T401-L411 PolarHBondContact OG1-N 2.95Å; T401-F440 HydrophobicContact CG2-CD1 4.5Å; T401-F440 HydrophobicContact CG2-CE1 4.07Å; T401-G443 WeakPolarHBondContact CB-O 3.33Å; T401-G443 PolarHBondContact N-O 3.48Å; T401-G443 VanDerWaalsContact OG1-C 3.25Å; T401-G443 WeakPolarHBondContact OG1-CA 3.46Å; T401-G443 PolarHBondContact OG1-O 3.39Å; T401-L473 HydrophobicContact CG2-CD1 4.38Å; T401-I474 CarbonylContact C-O 3.55Å; T401-I474 WeakPolarHBondContact CA-O 3.42Å; T401-I474 WeakPolarHBondContact CB-O 3.42Å; T401-I475 HydrophobicContact CG2-CG1 4.21Å; T401-I475 HydrophobicContact CG2-CG2 4.49Å
402	G	91.8	Very high	90.4	Very high	3 Å²	3	50.1 Å²	50.1	3%	0.031	25%	0.248	C	C	.	.	S	Bend	trans	79.2	175.9	-173.6	0	0	0	0	0	113.6	D409 I474 R476	G402-D409 WeakPolarHBondContact CA-O 3.16Å; G402-D409 PolarHBondContact N-O 3.49Å; G402-I474 PolarHBondContact N-O 3.37Å; G402-R476 VanDerWaalsContact C-NH2 3.28Å; G402-R476 WeakPolarHBondContact O-CB 3.46Å; G402-R476 VanDerWaalsContact O-CZ 3.26Å; G402-R476 PolarHBondContact O-NE 3.34Å; G402-R476 PolarHBondContact O-NH2 3.38Å
403	S	85.6	Confident	90.7	Very high	15 Å²	15	54 Å²	54	11%	0.105	27%	0.265	C	S	.	.			trans	-138.3	163.4	170.7	73.4	0	0	0	0	110.8	D405 R406 Q407	S403-D405 VanDerWaalsContact C-N 3.29Å; S403-D405 PolarHBondContact O-N 2.92Å; S403-R406 CarbonylContact O-C 3.48Å; S403-R406 VanDerWaalsContact O-C 3.23Å; S403-R406 PolarHBondContact O-N 3.35Å; S403-R406 WeakPolarHBondContact OG-CB 3.35Å; S403-R406 PolarHBondContact OG-N 3.05Å; S403-R406 VanDerWaalsContact OG-N 3.12Å; S403-Q407 PolarHBondContact O-N 3.41Å
404	D	78.3	Confident	91	Very high	120 Å²	120	49.6 Å²	49.6	64%	0.642	25%	0.246	S	C	*	.	S	Bend	trans	-69.5	-32.5	-179.2	-61.1	-7.4	0	0	0	111.2	R476	D404-R476 IonicContact OD1-CZ 3.58Å; D404-R476 IonicContact OD1-NH1 2.69Å; D404-R476 PolarHBondContact OD1-NH1 3.43Å; D404-R476 IonicContact OD1-NH2 3.24Å; D404-R476 PolarHBondContact OD1-NH2 3.44Å
405	D	77.8	Confident	91.2	Very high	159 Å²	159	49.8 Å²	49.8	85%	0.85	25%	0.248	S	C	*	.	S	Bend	trans	-75	-23.1	175.1	-60.6	-39.1	0	0	0	113.1	S403	S403-D405 VanDerWaalsContact C-N 3.29Å; S403-D405 PolarHBondContact O-N 2.92Å
406	R	82.3	Confident	91.4	Very high	87 Å²	87	48.3 Å²	48.3	33%	0.328	24%	0.237	S	C	.	.			trans	-135.6	75.5	-175.5	-60.7	-176.3	-176.5	154.5	-5.2	111.1	S403 S408 D409 I474	S403-R406 CarbonylContact O-C 3.48Å; S403-R406 VanDerWaalsContact O-C 3.23Å; S403-R406 PolarHBondContact O-N 3.35Å; S403-R406 WeakPolarHBondContact OG-CB 3.35Å; S403-R406 PolarHBondContact OG-N 3.05Å; S403-R406 VanDerWaalsContact OG-N 3.12Å; R406-S408 PolarHBondContact O-N 2.98Å; R406-S408 VanDerWaalsContact O-N 3.1Å; R406-D409 HydrophobicContact CB-CB 4.31Å; R406-D409 PolarHBondContact O-N 3.5Å; R406-D409 VanDerWaalsContact O-N 3.13Å; R406-I474 HydrophobicContact CB-CD1 4.17Å
407	Q	78.4	Confident	91.6	Very high	160 Å²	160	48.1 Å²	48.1	75%	0.748	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.4	-172.8	-61.5	178.1	13.4	0	0	114.4	S403 F410	S403-Q407 PolarHBondContact O-N 3.41Å; Q407-F410 VanDerWaalsContact O-CD1 3.24Å; Q407-F410 WeakPolarHBondContact O-CD1 3.45Å; Q407-F410 WeakPolarHBondContact O-CE1 3.32Å
408	S	88.4	Confident	91.7	Very high	60 Å²	60	48.1 Å²	48.1	42%	0.42	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-21	176.7	53.8	0	0	0	0	114.2	R406 F410	R406-S408 PolarHBondContact O-N 2.98Å; R406-S408 VanDerWaalsContact O-N 3.1Å; S408-F410 PolarHBondContact O-N 3.45Å
409	D	93.8	Very high	91.6	Very high	15 Å²	15	42.2 Å²	42.2	8%	0.08	22%	0.215	C	C	.	.			trans	-88.9	42.9	-165.7	-70.3	14.4	0	0	0	112.2	W374 G402 R406 W472 I474	W374-D409 PolarHBondContact NE1-OD2 2.97Å; G402-D409 WeakPolarHBondContact CA-O 3.16Å; G402-D409 PolarHBondContact N-O 3.49Å; R406-D409 HydrophobicContact CB-CB 4.31Å; R406-D409 PolarHBondContact O-N 3.5Å; R406-D409 VanDerWaalsContact O-N 3.13Å; D409-W472 CarbonylContact C-O 3.56Å; D409-W472 WeakPolarHBondContact CA-O 3.44Å; D409-I474 HydrophobicContact CB-CB 4.46Å; D409-I474 HydrophobicContact CB-CD1 3.8Å; D409-I474 HydrophobicContact CB-CG1 3.84Å; D409-I474 WeakPolarHBondContact O-CB 3.14Å; D409-I474 PolarHBondContact O-N 3.28Å
410	F	95.6	Very high	91.2	Very high	52 Å²	52	46 Å²	46	23%	0.228	23%	0.233	C	C	.	.	S	Bend	trans	-107	166.9	177.5	70.8	-87.8	0	0	0	111.4	Q407 S408 H412 Q469	Q407-F410 VanDerWaalsContact O-CD1 3.24Å; Q407-F410 WeakPolarHBondContact O-CD1 3.45Å; Q407-F410 WeakPolarHBondContact O-CE1 3.32Å; S408-F410 PolarHBondContact O-N 3.45Å; F410-H412 AromaticContact CE1-CE1 3.7Å; F410-H412 AromaticContact CE2-CE1 3.79Å; F410-H412 AromaticContact CE2-ND1 3.47Å; F410-H412 WeakPolarHBondContact CE2-ND1 3.49Å; F410-H412 AromaticContact CZ-CE1 3.35Å; F410-H412 WeakPolarHBondContact CZ-CE1 3.27Å; F410-H412 AromaticContact CZ-ND1 3.44Å; F410-H412 WeakPolarHBondContact CZ-ND1 3.45Å; F410-H412 PolarHBondContact O-N 3.48Å; F410-Q469 PolarHBondContact O-NE2 3.22Å
411	L	96.9	Very high	90.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.255	C	S	.	.			trans	-78.5	113	177.9	-174.4	57.7	0	0	0	110.4	T401 F440 G443 I463 V465 L473	T401-L411 HydrophobicContact CG2-CB 3.97Å; T401-L411 PolarHBondContact OG1-N 2.95Å; L411-F440 HydrophobicContact CD2-CD1 4.01Å; L411-F440 HydrophobicContact CD2-CD2 3.98Å; L411-F440 HydrophobicContact CD2-CE1 4.13Å; L411-F440 HydrophobicContact CD2-CE2 4.1Å; L411-F440 HydrophobicContact CD2-CG 3.93Å; L411-F440 HydrophobicContact CD2-CZ 4.17Å; L411-G443 WeakPolarHBondContact O-CA 3.4Å; L411-I463 HydrophobicContact CD2-CG2 3.67Å; L411-V465 HydrophobicContact CD1-CG2 4.09Å; L411-L473 HydrophobicContact CB-CD1 3.7Å; L411-L473 HydrophobicContact CD1-CD1 4.35Å; L411-L473 HydrophobicContact CD1-CD2 4.28Å
412	H	95.8	Very high	89.8	Confident	63 Å²	63	54.4 Å²	54.4	29%	0.292	27%	0.269	S	S	.	.	S	Bend	trans	-75.5	-45.7	179.5	-69.4	-70.9	0	0	0	112.5	F410 Q469 E471	F410-H412 AromaticContact CE1-CE1 3.7Å; F410-H412 AromaticContact CE2-CE1 3.79Å; F410-H412 AromaticContact CE2-ND1 3.47Å; F410-H412 WeakPolarHBondContact CE2-ND1 3.49Å; F410-H412 AromaticContact CZ-CE1 3.35Å; F410-H412 WeakPolarHBondContact CZ-CE1 3.27Å; F410-H412 AromaticContact CZ-ND1 3.44Å; F410-H412 WeakPolarHBondContact CZ-ND1 3.45Å; F410-H412 PolarHBondContact O-N 3.48Å; H412-Q469 VanDerWaalsContact N-OE1 3.08Å; H412-E471 IonicContact NE2-OE2 2.63Å
413	H	96.9	Very high	88.9	Confident	105 Å²	105	57.2 Å²	57.2	49%	0.486	29%	0.286	S	S	.	.	S	Bend	trans	-138.3	109.1	-176.1	-57.8	96.1	0	0	0	109.8	T466 A467	H413-T466 WeakPolarHBondContact CB-OG1 3.12Å; H413-T466 PolarHBondContact O-N 3.41Å; H413-T466 PolarHBondContact O-OG1 2.67Å; H413-A467 HydrophobicContact CB-CB 3.74Å
414	G	97.3	Very high	87.7	Confident	2 Å²	2	59.8 Å²	59.8	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	166	174.5	0	0	0	0	0	112.3	E439 F440 V464 T466	G414-E439 WeakPolarHBondContact O-CA 3.3Å; G414-F440 WeakPolarHBondContact O-CD2 2.94Å; G414-F440 PolarHBondContact O-N 3.43Å; G414-V464 CarbonylContact C-O 3.58Å; G414-V464 WeakPolarHBondContact CA-O 3.39Å; G414-T466 PolarHBondContact N-OG1 3.39Å
415	A	98.1	Very high	86.7	Confident	5 Å²	5	56.7 Å²	56.7	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.7	177.1	0	0	0	0	0	110.8	T436 G438 I463 V464 T466	A415-T436 HydrophobicContact CB-CG2 4.02Å; A415-G438 WeakPolarHBondContact CA-O 3.22Å; A415-I463 WeakPolarHBondContact O-CA 3.32Å; A415-V464 HydrophobicContact CB-CG1 3.89Å; A415-V464 PolarHBondContact N-O 2.78Å; A415-V464 PolarHBondContact O-N 2.93Å; A415-T466 HydrophobicContact CB-CG2 3.98Å
416	L	98.1	Very high	85.2	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.7	171.2	175.7	63.4	0	0	0	109	I397 I399 L437 G438 F440 I445 V447 V461	I397-L416 HydrophobicContact CB-CD2 4.07Å; I397-L416 HydrophobicContact CD1-CD2 4.31Å; I397-L416 HydrophobicContact CG2-CD1 4.34Å; I397-L416 HydrophobicContact CG2-CD2 3.56Å; I399-L416 HydrophobicContact CD1-CD1 3.68Å; L416-L437 HydrophobicContact CD2-CB 4.47Å; L416-L437 HydrophobicContact CD2-CD1 4.33Å; L416-L437 HydrophobicContact CG-CB 4.42Å; L416-L437 HydrophobicContact CG-CD1 4.45Å; L416-L437 PolarHBondContact O-N 3.45Å; L416-G438 PolarHBondContact N-O 3.44Å; L416-F440 HydrophobicContact CB-CE2 4.3Å; L416-I445 HydrophobicContact CB-CD1 3.58Å; L416-I445 HydrophobicContact CB-CG2 4.46Å; L416-I445 HydrophobicContact CD2-CD1 4.11Å; L416-I445 HydrophobicContact CD2-CG1 4.35Å; L416-I445 HydrophobicContact CD2-CG2 4.27Å; L416-V447 HydrophobicContact CD2-CG2 3.94Å; L416-V461 HydrophobicContact CD1-CG1 3.58Å
417	E	97.3	Very high	83.8	Confident	22 Å²	22	65.3 Å²	65.3	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	155.9	-177.3	-49.7	173.4	125.1	0	0	111.6	Y434 I435 T436 V461 R462 V464	E417-Y434 HydrophobicContact CB-CD1 4.09Å; E417-Y434 HydrophobicContact CB-CG 4.4Å; E417-I435 CarbonylContact C-O 3.43Å; E417-I435 WeakPolarHBondContact CA-O 3.12Å; E417-T436 HydrophobicContact CG-CG2 4.35Å; E417-T436 PolarHBondContact OE1-OG1 2.93Å; E417-V461 CarbonylContact O-C 3.45Å; E417-R462 PolarHBondContact N-O 2.97Å; E417-R462 PolarHBondContact O-N 3.4Å; E417-R462 IonicContact OE1-NH2 2.82Å; E417-R462 IonicContact OE2-CZ 3.6Å; E417-R462 IonicContact OE2-NE 2.86Å; E417-R462 PolarHBondContact OE2-NE 2.97Å; E417-R462 IonicContact OE2-NH2 3.47Å; E417-R462 PolarHBondContact OE2-NH2 2.7Å; E417-V464 HydrophobicContact CG-CG1 4.21Å; E417-V464 WeakPolarHBondContact OE2-CG1 3.29Å
418	V	96.6	Very high	82.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.4	178.9	-63.4	0	0	0	0	111.7	I397 Y434 I435 L437 I454 I458 C460 V461	I397-V418 HydrophobicContact CD1-CG1 4.14Å; V418-Y434 CarbonylContact O-C 3.59Å; V418-Y434 VanDerWaalsContact O-CA 3.3Å; V418-Y434 WeakPolarHBondContact O-CA 3.49Å; V418-I435 PolarHBondContact N-O 3.39Å; V418-I435 PolarHBondContact O-N 3.05Å; V418-L437 HydrophobicContact CB-CD1 4.5Å; V418-L437 HydrophobicContact CG1-CD1 3.54Å; V418-L437 HydrophobicContact CG1-CG 4.22Å; V418-L437 HydrophobicContact CG2-CD1 4.14Å; V418-L437 HydrophobicContact CG2-CD2 4.21Å; V418-L437 HydrophobicContact CG2-CG 4.08Å; V418-I454 HydrophobicContact CG2-CD1 3.72Å; V418-I454 HydrophobicContact CG2-CG1 3.91Å; V418-I458 HydrophobicContact CB-CD1 4.07Å; V418-I458 HydrophobicContact CB-CG1 4.18Å; V418-I458 HydrophobicContact CB-CG2 3.95Å; V418-I458 HydrophobicContact CG1-CD1 4Å; V418-I458 HydrophobicContact CG1-CG2 4.21Å; V418-I458 HydrophobicContact CG2-CD1 4.26Å; V418-I458 HydrophobicContact CG2-CG1 4.44Å; V418-C460 CarbonylContact C-O 3.49Å; V418-C460 VanDerWaalsContact CA-O 3.25Å; V418-C460 WeakPolarHBondContact CA-O 3.29Å; V418-V461 HydrophobicContact CG1-CG2 4.22Å
419	G	93.3	Very high	82.1	Confident	1 Å²	1	61 Å²	61	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.7	-176.6	0	0	0	0	0	113.9	C431 S433 E459 C460	G419-C431 VanDerWaalsContact C-SG 3.57Å; G419-S433 WeakPolarHBondContact CA-O 3.19Å; G419-E459 PolarHBondContact O-N 3.15Å; G419-C460 PolarHBondContact N-O 3.39Å; G419-C460 PolarHBondContact O-N 3.33Å
420	E	86.1	Confident	81.1	Confident	81 Å²	81	62.8 Å²	62.8	38%	0.379	32%	0.318	S	S	.	.	S	Bend	trans	-99	-38.7	-174.5	-171.8	-166.8	-154.9	0	0	113.8	F456 E459	E420-F456 HydrophobicContact CB-CD1 4.41Å; E420-F456 HydrophobicContact CB-CD2 3.61Å; E420-F456 HydrophobicContact CB-CE2 3.76Å; E420-F456 HydrophobicContact CB-CG 3.97Å; E420-F456 HydrophobicContact CB-CZ 4.23Å; E420-F456 HydrophobicContact CG-CB 4.06Å; E420-F456 HydrophobicContact CG-CD2 3.91Å; E420-F456 HydrophobicContact CG-CG 3.99Å; E420-E459 WeakPolarHBondContact O-CB 3.45Å; E420-E459 WeakPolarHBondContact O-CG 3.26Å; E420-E459 VanDerWaalsContact O-OE2 3.07Å
421	K	81.1	Confident	80.6	Confident	127 Å²	127	60.5 Å²	60.5	55%	0.552	31%	0.308	S	S	*	.			trans	-118.4	114	-166.4	-70.2	-178.3	-176	175.3	0	113	C431 S432	K421-C431 CarbonylContact O-C 3.53Å; K421-C431 WeakPolarHBondContact O-CA 3.28Å; K421-S432 PolarHBondContact O-N 2.85Å
422	L	77.4	Confident	79.8	Confident	65 Å²	65	63.9 Å²	63.9	34%	0.34	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.4	174	-134.5	86.4	0	0	0	113.9	V387 K429 E459	V387-L422 HydrophobicContact CB-CD1 4.43Å; V387-L422 HydrophobicContact CG1-CD1 3.32Å; V387-L422 HydrophobicContact CG1-CD2 4.35Å; V387-L422 HydrophobicContact CG1-CG 4.42Å; V387-L422 HydrophobicContact CG2-CD1 4.32Å; L422-K429 HydrophobicContact CD2-CB 3.95Å; L422-K429 HydrophobicContact CD2-CD 3.88Å; L422-K429 HydrophobicContact CD2-CG 3.94Å; L422-K429 HydrophobicContact CG-CB 4.5Å; L422-E459 WeakPolarHBondContact CB-OE2 3.45Å; L422-E459 PolarHBondContact N-OE2 2.83Å
423	V	72.6	Confident	79.4	Confident	63 Å²	63	64.2 Å²	64.2	38%	0.382	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.8	167.4	-175.9	0	0	0	0	108.7	T425 Q430 S432	V423-T425 HydrophobicContact CG1-CG2 4.41Å; V423-T425 PolarHBondContact O-N 3.14Å; V423-Q430 PolarHBondContact N-O 3.42Å; V423-Q430 PolarHBondContact O-N 3.37Å; V423-Q430 VanDerWaalsContact O-O 3.06Å; V423-S432 VanDerWaalsContact CG2-CB 3.47Å
424	G	59.3	Low	79.2	Confident	68 Å²	68	61.2 Å²	61.2	70%	0.701	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	114.8	172.5	0	0	0	0	0	110.3
425	T	56.9	Low	79.1	Confident	56 Å²	56	65 Å²	65	34%	0.344	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	158.8	170.8	73.1	0	0	0	0	111.1	V423 K427 G428 Q430	V423-T425 HydrophobicContact CG1-CG2 4.41Å; V423-T425 PolarHBondContact O-N 3.14Å; T425-K427 PolarHBondContact O-N 3.02Å; T425-G428 PolarHBondContact N-O 3.24Å; T425-G428 VanDerWaalsContact N-O 3.08Å; T425-G428 PolarHBondContact O-N 2.75Å; T425-G428 VanDerWaalsContact O-N 3.13Å; T425-G428 PolarHBondContact OG1-N 3.29Å; T425-G428 PolarHBondContact OG1-O 3.16Å; T425-Q430 HydrophobicContact CG2-CG 4.24Å
426	K	48.2	Very low	79	Confident	228 Å²	228	68.6 Å²	68.6	99%	0.991	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-11.1	176.5	-70	-174.8	177.2	-178.7	0	114.2
427	K	52.4	Low	79	Confident	199 Å²	199	70.1 Å²	70.1	87%	0.865	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	3.4	179.8	-69.2	-171.3	176.4	-175	0	114	T425	T425-K427 PolarHBondContact O-N 3.02Å
428	G	59.8	Low	78.9	Confident	22 Å²	22	70.1 Å²	70.1	23%	0.227	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144	169.6	179.6	0	0	0	0	0	114	T425	T425-G428 PolarHBondContact N-O 3.24Å; T425-G428 VanDerWaalsContact N-O 3.08Å; T425-G428 PolarHBondContact O-N 2.75Å; T425-G428 VanDerWaalsContact O-N 3.13Å; T425-G428 PolarHBondContact OG1-N 3.29Å; T425-G428 PolarHBondContact OG1-O 3.16Å
429	K	69.9	Low	79	Confident	107 Å²	107	76.8 Å²	76.8	47%	0.465	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.5	170.2	-73.6	178.2	173.5	-172.4	0	108.6	Y351 V387 L422	Y351-K429 HydrophobicContact CD2-CB 4.48Å; Y351-K429 HydrophobicContact CE2-CB 3.94Å; V387-K429 HydrophobicContact CG2-CB 4.36Å; V387-K429 WeakPolarHBondContact CG2-O 3.39Å; L422-K429 HydrophobicContact CD2-CB 3.95Å; L422-K429 HydrophobicContact CD2-CD 3.88Å; L422-K429 HydrophobicContact CD2-CG 3.94Å; L422-K429 HydrophobicContact CG-CB 4.5Å
430	Q	74.4	Confident	79.2	Confident	52 Å²	52	77.4 Å²	77.4	24%	0.243	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159.9	176.5	62.5	174	-9.2	0	0	109.8	V423 T425	V423-Q430 PolarHBondContact N-O 3.42Å; V423-Q430 PolarHBondContact O-N 3.37Å; V423-Q430 VanDerWaalsContact O-O 3.06Å; T425-Q430 HydrophobicContact CG2-CG 4.24Å
431	C	83.9	Confident	79.6	Confident	4 Å²	4	81.5 Å²	81.5	3%	0.027	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	152.9	175.4	-76.1	0	0	0	0	112.3	G419 K421 S433 Y434 C460	G419-C431 VanDerWaalsContact C-SG 3.57Å; K421-C431 CarbonylContact O-C 3.53Å; K421-C431 WeakPolarHBondContact O-CA 3.28Å; C431-S433 VanDerWaalsContact C-N 3.35Å; C431-Y434 HydrophobicContact CB-CE1 4.06Å; C431-Y434 HydrophobicContact CB-CE2 4.13Å; C431-Y434 PolarHBondContact N-OH 3.14Å; C431-Y434 WeakPolarHBondContact O-CE2 3.49Å; C431-C460 HydrophobicContact CB-CB 3.78Å; C431-C460 WeakPolarHBondContact CB-SG 3.41Å; C431-C460 PolarHBondContact N-SG 3.12Å; C431-C460 WeakPolarHBondContact SG-CB 3.26Å; C431-C460 CovalentContact SG-SG 2.04Å; C431-C460 PolarHBondContact SG-SG 3.44Å
432	S	80.8	Confident	80.1	Confident	71 Å²	71	82.3 Å²	82.3	50%	0.497	44%	0.441	S	S	.	.	S	Bend	trans	-68.7	-32.5	-179.7	59	0	0	0	0	113.6	K421 V423	K421-S432 PolarHBondContact O-N 2.85Å; V423-S432 VanDerWaalsContact CG2-CB 3.47Å
433	S	87.2	Confident	80.8	Confident	71 Å²	71	79.3 Å²	79.3	50%	0.497	43%	0.425	S	S	.	.			trans	-146.8	152	-174.5	53.5	0	0	0	0	108.9	G419 C431	G419-S433 WeakPolarHBondContact CA-O 3.19Å; C431-S433 VanDerWaalsContact C-N 3.35Å
434	Y	92.7	Very high	81.9	Confident	42 Å²	42	79.9 Å²	79.9	17%	0.165	43%	0.426	C	S	.	.			trans	-135.9	143.6	-174.9	-72	-87.3	0	0	0	110	E417 V418 C431 C460 R462	E417-Y434 HydrophobicContact CB-CD1 4.09Å; E417-Y434 HydrophobicContact CB-CG 4.4Å; V418-Y434 CarbonylContact O-C 3.59Å; V418-Y434 VanDerWaalsContact O-CA 3.3Å; V418-Y434 WeakPolarHBondContact O-CA 3.49Å; C431-Y434 HydrophobicContact CB-CE1 4.06Å; C431-Y434 HydrophobicContact CB-CE2 4.13Å; C431-Y434 PolarHBondContact N-OH 3.14Å; C431-Y434 WeakPolarHBondContact O-CE2 3.49Å; Y434-C460 HydrophobicContact CE1-CB 4.02Å; Y434-R462 HydrophobicContact CD1-CB 3.95Å; Y434-R462 VanDerWaalsContact CD2-NH2 3.29Å; Y434-R462 HydrophobicContact CE1-CB 3.51Å; Y434-R462 HydrophobicContact CE1-CG 4.34Å
435	I	95	Very high	83.6	Confident	82 Å²	82	77.2 Å²	77.2	42%	0.421	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.2	170.6	-62.2	-178.6	0	0	0	107.8	E417 V418 I454 F456	E417-I435 CarbonylContact C-O 3.43Å; E417-I435 WeakPolarHBondContact CA-O 3.12Å; V418-I435 PolarHBondContact N-O 3.39Å; V418-I435 PolarHBondContact O-N 3.05Å; I435-I454 HydrophobicContact CB-CD1 4.27Å; I435-I454 HydrophobicContact CD1-CD1 4.28Å; I435-I454 HydrophobicContact CG2-CD1 3.95Å; I435-F456 HydrophobicContact CD1-CE1 3.63Å; I435-F456 HydrophobicContact CD1-CZ 3.97Å
436	T	97.1	Very high	85.5	Confident	80 Å²	80	78.8 Å²	78.8	49%	0.491	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	124.8	176.5	-48.1	0	0	0	0	110.9	A415 E417	A415-T436 HydrophobicContact CB-CG2 4.02Å; E417-T436 HydrophobicContact CG-CG2 4.35Å; E417-T436 PolarHBondContact OE1-OG1 2.93Å
437	L	96.7	Very high	87.8	Confident	32 Å²	32	68.4 Å²	68.4	17%	0.168	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-26.6	176.4	-67.9	-177.3	0	0	0	112.8	I397 L416 V418 V447 V450 I454	I397-L437 HydrophobicContact CD1-CD1 3.91Å; L416-L437 HydrophobicContact CD2-CB 4.47Å; L416-L437 HydrophobicContact CD2-CD1 4.33Å; L416-L437 HydrophobicContact CG-CB 4.42Å; L416-L437 HydrophobicContact CG-CD1 4.45Å; L416-L437 PolarHBondContact O-N 3.45Å; V418-L437 HydrophobicContact CB-CD1 4.5Å; V418-L437 HydrophobicContact CG1-CD1 3.54Å; V418-L437 HydrophobicContact CG1-CG 4.22Å; V418-L437 HydrophobicContact CG2-CD1 4.14Å; V418-L437 HydrophobicContact CG2-CD2 4.21Å; V418-L437 HydrophobicContact CG2-CG 4.08Å; L437-V447 HydrophobicContact CB-CG1 4.39Å; L437-V447 HydrophobicContact CB-CG2 4.21Å; L437-V450 HydrophobicContact CD1-CG1 4.09Å; L437-V450 HydrophobicContact CD1-CG2 4.3Å; L437-I454 HydrophobicContact CD2-CD1 3.77Å; L437-I454 HydrophobicContact CD2-CG1 3.87Å
438	G	96.6	Very high	89.7	Confident	22 Å²	22	63.6 Å²	63.6	23%	0.227	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	177.5	178.8	0	0	0	0	0	113.4	A415 L416	A415-G438 WeakPolarHBondContact CA-O 3.22Å; L416-G438 PolarHBondContact N-O 3.44Å
439	E	97.7	Very high	91.3	Very high	140 Å²	140	66.9 Å²	66.9	65%	0.654	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.3	179.2	-64	-177.3	167.7	0	0	111.4	G414	G414-E439 WeakPolarHBondContact O-CA 3.3Å
440	F	97.1	Very high	92.4	Very high	14 Å²	14	61.8 Å²	61.8	6%	0.061	33%	0.326	C	S	.	.			trans	-67.5	137.4	175.9	-78.4	-108.9	0	0	0	110.6	I399 T401 L411 G414 L416 I445 I463	I399-F440 HydrophobicContact CB-CE1 4.09Å; I399-F440 HydrophobicContact CB-CZ 4.12Å; I399-F440 HydrophobicContact CD1-CZ 4.27Å; I399-F440 HydrophobicContact CG2-CE1 3.8Å; I399-F440 HydrophobicContact CG2-CZ 3.91Å; T401-F440 HydrophobicContact CG2-CD1 4.5Å; T401-F440 HydrophobicContact CG2-CE1 4.07Å; L411-F440 HydrophobicContact CD2-CD1 4.01Å; L411-F440 HydrophobicContact CD2-CD2 3.98Å; L411-F440 HydrophobicContact CD2-CE1 4.13Å; L411-F440 HydrophobicContact CD2-CE2 4.1Å; L411-F440 HydrophobicContact CD2-CG 3.93Å; L411-F440 HydrophobicContact CD2-CZ 4.17Å; G414-F440 WeakPolarHBondContact O-CD2 2.94Å; G414-F440 PolarHBondContact O-N 3.43Å; L416-F440 HydrophobicContact CB-CE2 4.3Å; F440-I445 HydrophobicContact CD1-CB 4.21Å; F440-I445 HydrophobicContact CD1-CG2 3.92Å; F440-I445 HydrophobicContact CD2-CB 4.35Å; F440-I445 HydrophobicContact CD2-CG2 4.1Å; F440-I445 HydrophobicContact CE1-CB 4.33Å; F440-I445 HydrophobicContact CE1-CG2 3.53Å; F440-I445 HydrophobicContact CE2-CB 4.46Å; F440-I445 HydrophobicContact CE2-CG2 3.73Å; F440-I445 HydrophobicContact CG-CB 4.24Å; F440-I445 HydrophobicContact CG-CG2 4.2Å; F440-I445 HydrophobicContact CZ-CB 4.46Å; F440-I445 HydrophobicContact CZ-CG2 3.44Å; F440-I445 VanDerWaalsContact CZ-CG2 3.44Å; F440-I463 HydrophobicContact CE2-CG1 4.47Å; F440-I463 HydrophobicContact CE2-CG2 3.77Å; F440-I463 HydrophobicContact CZ-CD1 4.27Å; F440-I463 HydrophobicContact CZ-CG1 4.06Å; F440-I463 HydrophobicContact CZ-CG2 3.8Å
441	K	95	Very high	93.2	Very high	166 Å²	166	60.7 Å²	60.7	72%	0.722	32%	0.322	S	S	*	.	B	Isolated β-bridge	trans	-122.8	120.2	175.3	-66	-176.3	-179.9	179.2	0	109	G443 N444	K441-G443 PolarHBondContact O-N 2.84Å; K441-N444 PolarHBondContact N-O 2.88Å; K441-N444 PolarHBondContact O-N 2.83Å
442	N	91.3	Very high	93.5	Very high	145 Å²	145	67.8 Å²	67.8	78%	0.775	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	45.9	-176.6	-58.6	-22.6	0	0	0	111.9	N444	N442-N444 VanDerWaalsContact C-N 3.25Å; N442-N444 PolarHBondContact O-N 3.43Å; N442-N444 PolarHBondContact O-ND2 2.78Å
443	G	92.2	Very high	94	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.01	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	5.3	179.9	0	0	0	0	0	116.2	T401 L411 K441	T401-G443 WeakPolarHBondContact CB-O 3.33Å; T401-G443 PolarHBondContact N-O 3.48Å; T401-G443 VanDerWaalsContact OG1-C 3.25Å; T401-G443 WeakPolarHBondContact OG1-CA 3.46Å; T401-G443 PolarHBondContact OG1-O 3.39Å; L411-G443 WeakPolarHBondContact O-CA 3.4Å; K441-G443 PolarHBondContact O-N 2.84Å
444	N	95	Very high	94.3	Very high	76 Å²	76	67.2 Å²	67.2	41%	0.406	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	148.8	-177.3	-64.8	-78.5	0	0	0	111.6	I399 A400 K441 N442	I399-N444 WeakPolarHBondContact O-CA 3.47Å; A400-N444 WeakPolarHBondContact CA-OD1 3.33Å; A400-N444 VanDerWaalsContact CB-OD1 3.31Å; A400-N444 WeakPolarHBondContact CB-OD1 3.33Å; K441-N444 PolarHBondContact N-O 2.88Å; K441-N444 PolarHBondContact O-N 2.83Å; N442-N444 VanDerWaalsContact C-N 3.25Å; N442-N444 PolarHBondContact O-N 3.43Å; N442-N444 PolarHBondContact O-ND2 2.78Å
445	I	96.8	Very high	94.1	Very high	12 Å²	12	69.5 Å²	69.5	6%	0.062	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	138.3	167.9	-173.9	159.6	0	0	0	109.9	R398 I399 L416 F440 V447	R398-I445 WeakPolarHBondContact CA-O 3.39Å; I399-I445 HydrophobicContact CB-CG2 3.81Å; I399-I445 HydrophobicContact CD1-CG2 4.43Å; I399-I445 HydrophobicContact CG1-CG2 4.32Å; I399-I445 PolarHBondContact N-O 3.42Å; I399-I445 PolarHBondContact O-N 2.86Å; L416-I445 HydrophobicContact CB-CD1 3.58Å; L416-I445 HydrophobicContact CB-CG2 4.46Å; L416-I445 HydrophobicContact CD2-CD1 4.11Å; L416-I445 HydrophobicContact CD2-CG1 4.35Å; L416-I445 HydrophobicContact CD2-CG2 4.27Å; F440-I445 HydrophobicContact CD1-CB 4.21Å; F440-I445 HydrophobicContact CD1-CG2 3.92Å; F440-I445 HydrophobicContact CD2-CB 4.35Å; F440-I445 HydrophobicContact CD2-CG2 4.1Å; F440-I445 HydrophobicContact CE1-CB 4.33Å; F440-I445 HydrophobicContact CE1-CG2 3.53Å; F440-I445 HydrophobicContact CE2-CB 4.46Å; F440-I445 HydrophobicContact CE2-CG2 3.73Å; F440-I445 HydrophobicContact CG-CB 4.24Å; F440-I445 HydrophobicContact CG-CG2 4.2Å; F440-I445 HydrophobicContact CZ-CB 4.46Å; F440-I445 HydrophobicContact CZ-CG2 3.44Å; F440-I445 VanDerWaalsContact CZ-CG2 3.44Å; I445-V447 HydrophobicContact CD1-CG2 4.2Å; I445-V447 HydrophobicContact CG1-CG2 3.99Å
446	E	95.8	Very high	93.8	Very high	89 Å²	89	67.8 Å²	67.8	42%	0.416	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.4	170.2	-174.1	174.2	152.8	0	0	108.7	K396 I397 R398 Q448	K396-E446 WeakPolarHBondContact CE-OE1 3.47Å; K396-E446 IonicContact NZ-OE1 2.88Å; K396-E446 PolarHBondContact NZ-OE1 2.94Å; I397-E446 CarbonylContact O-C 3.23Å; I397-E446 VanDerWaalsContact O-CA 3.32Å; I397-E446 WeakPolarHBondContact O-CA 3.3Å; R398-E446 HydrophobicContact CB-CG 4.31Å; R398-E446 HydrophobicContact CG-CB 4.44Å; R398-E446 HydrophobicContact CG-CG 4.44Å; E446-Q448 PolarHBondContact OE1-NE2 2.92Å
447	V	95.5	Very high	93.6	Very high	9 Å²	9	68 Å²	68	6%	0.055	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.1	177.3	-169.9	0	0	0	0	107.8	K396 I397 L416 L437 I445 V450 K453	K396-V447 CarbonylContact C-O 3.54Å; K396-V447 VanDerWaalsContact CA-O 3.31Å; K396-V447 WeakPolarHBondContact CA-O 3.38Å; I397-V447 PolarHBondContact N-O 2.89Å; I397-V447 PolarHBondContact O-N 3.46Å; L416-V447 HydrophobicContact CD2-CG2 3.94Å; L437-V447 HydrophobicContact CB-CG1 4.39Å; L437-V447 HydrophobicContact CB-CG2 4.21Å; I445-V447 HydrophobicContact CD1-CG2 4.2Å; I445-V447 HydrophobicContact CG1-CG2 3.99Å; V447-V450 HydrophobicContact CB-CG2 4.02Å; V447-V450 HydrophobicContact CG1-CG2 3.68Å; V447-K453 HydrophobicContact CG1-CD 4.3Å
448	Q	93.8	Very high	93.5	Very high	98 Å²	98	66.5 Å²	66.5	46%	0.458	35%	0.35	S	S	.	.			trans	-99.1	167.9	173.1	-60.4	-177.2	5.9	0	0	110.5	S395 K396 E446 V450 K453	S395-Q448 CarbonylContact O-C 3.29Å; K396-Q448 HydrophobicContact CD-CG 4.33Å; K396-Q448 HydrophobicContact CG-CG 4.23Å; E446-Q448 PolarHBondContact OE1-NE2 2.92Å; Q448-V450 PolarHBondContact O-N 2.85Å; Q448-K453 WeakPolarHBondContact O-CE 3.43Å; Q448-K453 PolarHBondContact O-NZ 3.36Å
449	D	92.1	Very high	93.3	Very high	91 Å²	91	68.3 Å²	68.3	49%	0.487	35%	0.353	S	S	.	.			trans	52.3	37.3	178.7	-53.3	-43.3	0	0	0	112.6	S395 D451 H452 K453	S395-D449 PolarHBondContact O-N 3.39Å; D449-D451 PolarHBondContact O-N 2.88Å; D449-H452 HydrophobicContact CB-CB 4.26Å; D449-H452 PolarHBondContact O-N 3.42Å; D449-H452 VanDerWaalsContact O-N 3.1Å; D449-K453 WeakPolarHBondContact O-CG 3.45Å; D449-K453 PolarHBondContact O-N 2.76Å; D449-K453 VanDerWaalsContact O-N 3.14Å
450	V	93.8	Very high	93.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-34.5	-177.9	174.2	0	0	0	0	110.5	I394 S395 I397 L437 V447 Q448 H452 K453 I454 I458	I394-V450 HydrophobicContact CB-CG1 4.3Å; I394-V450 HydrophobicContact CG2-CB 4.44Å; I394-V450 HydrophobicContact CG2-CG1 4.37Å; I394-V450 CarbonylContact O-C 3.51Å; I394-V450 VanDerWaalsContact O-CB 3.26Å; I394-V450 WeakPolarHBondContact O-CB 3.33Å; S395-V450 PolarHBondContact O-N 3.36Å; I397-V450 HydrophobicContact CG1-CG2 4.26Å; L437-V450 HydrophobicContact CD1-CG1 4.09Å; L437-V450 HydrophobicContact CD1-CG2 4.3Å; V447-V450 HydrophobicContact CB-CG2 4.02Å; V447-V450 HydrophobicContact CG1-CG2 3.68Å; Q448-V450 PolarHBondContact O-N 2.85Å; V450-H452 PolarHBondContact O-N 3.45Å; V450-K453 PolarHBondContact O-N 2.94Å; V450-K453 VanDerWaalsContact O-N 3.1Å; V450-I454 HydrophobicContact CG1-CG1 4.14Å; V450-I454 WeakPolarHBondContact O-CB 3.32Å; V450-I454 PolarHBondContact O-N 2.93Å; V450-I458 HydrophobicContact CG1-CD1 3.88Å
451	D	90.8	Very high	93.1	Very high	29 Å²	29	61 Å²	61	16%	0.155	32%	0.319	C	S	.	.	H	α-helix	trans	-71.5	-17	177.6	60.1	-30.8	0	0	0	114.1	K393 I394 D449 T483	K393-D451 HydrophobicContact CD-CB 4.35Å; K393-D451 HydrophobicContact CG-CB 3.9Å; I394-D451 WeakPolarHBondContact O-CA 3.47Å; I394-D451 WeakPolarHBondContact O-CB 3.37Å; I394-D451 PolarHBondContact O-N 2.8Å; D449-D451 PolarHBondContact O-N 2.88Å; D451-T483 WeakPolarHBondContact CB-OG1 3.34Å; D451-T483 PolarHBondContact OD2-OG1 3.27Å
452	H	91.1	Very high	93.1	Very high	153 Å²	153	55.1 Å²	55.1	71%	0.708	29%	0.292	S	S	*	.	H	α-helix	trans	-89.7	-25.5	168.7	-65.9	-67.3	0	0	0	112.5	D449 V450	D449-H452 HydrophobicContact CB-CB 4.26Å; D449-H452 PolarHBondContact O-N 3.42Å; D449-H452 VanDerWaalsContact O-N 3.1Å; V450-H452 PolarHBondContact O-N 3.45Å
453	K	91.5	Very high	93.4	Very high	121 Å²	121	48.5 Å²	48.5	53%	0.526	26%	0.257	S	S	.	.	H	α-helix	trans	-85.7	-28.9	179.4	-68.4	167.7	-177.2	166	0	112.9	V447 Q448 D449 V450	V447-K453 HydrophobicContact CG1-CD 4.3Å; Q448-K453 WeakPolarHBondContact O-CE 3.43Å; Q448-K453 PolarHBondContact O-NZ 3.36Å; D449-K453 WeakPolarHBondContact O-CG 3.45Å; D449-K453 PolarHBondContact O-N 2.76Å; D449-K453 VanDerWaalsContact O-N 3.14Å; V450-K453 PolarHBondContact O-N 2.94Å; V450-K453 VanDerWaalsContact O-N 3.1Å
454	I	92.3	Very high	93.7	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.051	26%	0.262	C	S	.	.			trans	-118	118.8	-174.1	-57.6	-64.2	0	0	0	109.2	V418 I435 L437 V450 F456 I458	V418-I454 HydrophobicContact CG2-CD1 3.72Å; V418-I454 HydrophobicContact CG2-CG1 3.91Å; I435-I454 HydrophobicContact CB-CD1 4.27Å; I435-I454 HydrophobicContact CD1-CD1 4.28Å; I435-I454 HydrophobicContact CG2-CD1 3.95Å; L437-I454 HydrophobicContact CD2-CD1 3.77Å; L437-I454 HydrophobicContact CD2-CG1 3.87Å; V450-I454 HydrophobicContact CG1-CG1 4.14Å; V450-I454 WeakPolarHBondContact O-CB 3.32Å; V450-I454 PolarHBondContact O-N 2.93Å; I454-F456 VanDerWaalsContact C-N 3.3Å; I454-F456 HydrophobicContact CG2-CD1 3.99Å; I454-F456 HydrophobicContact CG2-CD2 3.69Å; I454-F456 HydrophobicContact CG2-CE1 3.87Å; I454-F456 HydrophobicContact CG2-CE2 3.55Å; I454-F456 HydrophobicContact CG2-CG 3.92Å; I454-F456 HydrophobicContact CG2-CZ 3.65Å; I454-F456 WeakPolarHBondContact CG2-O 3.38Å; I454-F456 PolarHBondContact O-N 2.92Å; I454-I458 HydrophobicContact CG2-CD1 4.39Å; I454-I458 HydrophobicContact CG2-CG1 4.12Å
455	G	88.2	Confident	93.8	Very high	90 Å²	90	46 Å²	46	93%	0.928	24%	0.244	S	C	*	.	S	Bend	trans	-83.9	3.9	-175.7	0	0	0	0	0	115.4
456	F	90.4	Very high	93.8	Very high	46 Å²	46	48.4 Å²	48.4	20%	0.202	26%	0.259	C	S	.	.	S	Bend	trans	-128.6	157.9	-178.8	56.7	-105.8	0	0	0	111.3	E420 I435 I454 I458	E420-F456 HydrophobicContact CB-CD1 4.41Å; E420-F456 HydrophobicContact CB-CD2 3.61Å; E420-F456 HydrophobicContact CB-CE2 3.76Å; E420-F456 HydrophobicContact CB-CG 3.97Å; E420-F456 HydrophobicContact CB-CZ 4.23Å; E420-F456 HydrophobicContact CG-CB 4.06Å; E420-F456 HydrophobicContact CG-CD2 3.91Å; E420-F456 HydrophobicContact CG-CG 3.99Å; I435-F456 HydrophobicContact CD1-CE1 3.63Å; I435-F456 HydrophobicContact CD1-CZ 3.97Å; I454-F456 VanDerWaalsContact C-N 3.3Å; I454-F456 HydrophobicContact CG2-CD1 3.99Å; I454-F456 HydrophobicContact CG2-CD2 3.69Å; I454-F456 HydrophobicContact CG2-CE1 3.87Å; I454-F456 HydrophobicContact CG2-CE2 3.55Å; I454-F456 HydrophobicContact CG2-CG 3.92Å; I454-F456 HydrophobicContact CG2-CZ 3.65Å; I454-F456 WeakPolarHBondContact CG2-O 3.38Å; I454-F456 PolarHBondContact O-N 2.92Å; F456-I458 HydrophobicContact CD2-CG1 4.44Å; F456-I458 HydrophobicContact CE2-CG1 4.2Å
457	D	91.3	Very high	93.9	Very high	83 Å²	83	45.8 Å²	45.8	44%	0.444	25%	0.253	S	S	.	.			trans	-71.9	131.5	171.2	-67.9	-12.9	0	0	0	109.3	S391	S391-D457 WeakPolarHBondContact OG-CB 3.49Å; S391-D457 PolarHBondContact OG-O 2.97Å
458	I	94.4	Very high	94	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.1	-171.7	-63.6	163.8	0	0	0	109.3	F388 S391 T392 I394 V418 V450 I454 F456 C460 V461	F388-I458 VanDerWaalsContact CD2-O 3.26Å; F388-I458 WeakPolarHBondContact CD2-O 3.39Å; F388-I458 HydrophobicContact CE2-CG2 3.96Å; S391-I458 PolarHBondContact OG-O 2.67Å; T392-I458 PolarHBondContact N-O 3.41Å; T392-I458 PolarHBondContact O-N 3.06Å; I394-I458 HydrophobicContact CB-CD1 3.96Å; I394-I458 HydrophobicContact CD1-CB 4.2Å; I394-I458 HydrophobicContact CD1-CD1 3.88Å; I394-I458 HydrophobicContact CD1-CG2 4.2Å; I394-I458 HydrophobicContact CG1-CD1 4.04Å; V418-I458 HydrophobicContact CB-CD1 4.07Å; V418-I458 HydrophobicContact CB-CG1 4.18Å; V418-I458 HydrophobicContact CB-CG2 3.95Å; V418-I458 HydrophobicContact CG1-CD1 4Å; V418-I458 HydrophobicContact CG1-CG2 4.21Å; V418-I458 HydrophobicContact CG2-CD1 4.26Å; V418-I458 HydrophobicContact CG2-CG1 4.44Å; V450-I458 HydrophobicContact CG1-CD1 3.88Å; I454-I458 HydrophobicContact CG2-CD1 4.39Å; I454-I458 HydrophobicContact CG2-CG1 4.12Å; F456-I458 HydrophobicContact CD2-CG1 4.44Å; F456-I458 HydrophobicContact CE2-CG1 4.2Å; I458-C460 VanDerWaalsContact CG2-O 3.24Å; I458-C460 WeakPolarHBondContact CG2-O 3.38Å; I458-V461 HydrophobicContact CG2-CG2 4.1Å
459	E	93.4	Very high	94.1	Very high	59 Å²	59	44.9 Å²	44.9	28%	0.276	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-34	171.4	-76.3	-168.1	178.4	0	0	112.5	V387 F388 G419 E420 L422	V387-E459 WeakPolarHBondContact CA-O 3.26Å; F388-E459 WeakPolarHBondContact CD2-O 3.48Å; F388-E459 PolarHBondContact N-O 3.21Å; G419-E459 PolarHBondContact O-N 3.15Å; E420-E459 WeakPolarHBondContact O-CB 3.45Å; E420-E459 WeakPolarHBondContact O-CG 3.26Å; E420-E459 VanDerWaalsContact O-OE2 3.07Å; L422-E459 WeakPolarHBondContact CB-OE2 3.45Å; L422-E459 PolarHBondContact N-OE2 2.83Å
460	C	94	Very high	94.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.4	179.9	-44.2	0	0	0	0	112.8	V385 I386 V418 G419 C431 Y434 I458	V385-C460 HydrophobicContact CG2-CB 4.08Å; I386-C460 CarbonylContact O-C 3.48Å; I386-C460 WeakPolarHBondContact O-CA 3.47Å; V418-C460 CarbonylContact C-O 3.49Å; V418-C460 VanDerWaalsContact CA-O 3.25Å; V418-C460 WeakPolarHBondContact CA-O 3.29Å; G419-C460 PolarHBondContact N-O 3.39Å; G419-C460 PolarHBondContact O-N 3.33Å; C431-C460 HydrophobicContact CB-CB 3.78Å; C431-C460 WeakPolarHBondContact CB-SG 3.41Å; C431-C460 PolarHBondContact N-SG 3.12Å; C431-C460 WeakPolarHBondContact SG-CB 3.26Å; C431-C460 CovalentContact SG-SG 2.04Å; C431-C460 PolarHBondContact SG-SG 3.44Å; Y434-C460 HydrophobicContact CE1-CB 4.02Å; I458-C460 VanDerWaalsContact CG2-O 3.24Å; I458-C460 WeakPolarHBondContact CG2-O 3.38Å
461	V	96.4	Very high	94.4	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.2	164.4	-179.9	0	0	0	0	108	V385 I386 F388 I394 I397 L416 E417 V418 I458 L480	V385-V461 CarbonylContact C-O 3.59Å; V385-V461 WeakPolarHBondContact CA-O 3.48Å; I386-V461 HydrophobicContact CB-CB 4.23Å; I386-V461 HydrophobicContact CD1-CB 4.29Å; I386-V461 HydrophobicContact CD1-CG1 4.45Å; I386-V461 PolarHBondContact N-O 2.87Å; I386-V461 PolarHBondContact O-N 3.2Å; F388-V461 HydrophobicContact CE2-CG2 3.8Å; F388-V461 HydrophobicContact CZ-CG2 3.78Å; I394-V461 HydrophobicContact CD1-CG2 3.87Å; I397-V461 HydrophobicContact CD1-CG1 4.33Å; I397-V461 HydrophobicContact CD1-CG2 4.34Å; L416-V461 HydrophobicContact CD1-CG1 3.58Å; E417-V461 CarbonylContact O-C 3.45Å; V418-V461 HydrophobicContact CG1-CG2 4.22Å; I458-V461 HydrophobicContact CG2-CG2 4.1Å; V461-L480 HydrophobicContact CG2-CD1 4.44Å
462	R	95.8	Very high	94.7	Very high	43 Å²	43	55.3 Å²	55.3	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.9	-176.3	-176.4	172	72.5	176	2.5	111.1	F383 F384 V385 E417 Y434	F383-R462 HydrophobicContact CB-CG 4.08Å; F384-R462 CarbonylContact O-C 3.58Å; F384-R462 WeakPolarHBondContact O-CA 3.45Å; V385-R462 HydrophobicContact CB-CB 4.47Å; V385-R462 HydrophobicContact CB-CG 4.45Å; V385-R462 HydrophobicContact CG2-CB 4.21Å; E417-R462 PolarHBondContact N-O 2.97Å; E417-R462 PolarHBondContact O-N 3.4Å; E417-R462 IonicContact OE1-NH2 2.82Å; E417-R462 IonicContact OE2-CZ 3.6Å; E417-R462 IonicContact OE2-NE 2.86Å; E417-R462 PolarHBondContact OE2-NE 2.97Å; E417-R462 IonicContact OE2-NH2 3.47Å; E417-R462 PolarHBondContact OE2-NH2 2.7Å; Y434-R462 HydrophobicContact CD1-CB 3.95Å; Y434-R462 VanDerWaalsContact CD2-NH2 3.29Å; Y434-R462 HydrophobicContact CE1-CB 3.51Å; Y434-R462 HydrophobicContact CE1-CG 4.34Å
463	I	97.8	Very high	94.9	Very high	6 Å²	6	48 Å²	48	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.2	160.4	-53.5	168.1	0	0	0	106	F383 F384 I399 L411 A415 F440 I475 I478	F383-I463 CarbonylContact C-O 3.57Å; F383-I463 WeakPolarHBondContact CA-O 3.43Å; F384-I463 HydrophobicContact CB-CB 4.24Å; F384-I463 HydrophobicContact CB-CD1 4.41Å; F384-I463 HydrophobicContact CD1-CD1 4.3Å; F384-I463 PolarHBondContact N-O 3.1Å; F384-I463 PolarHBondContact O-N 3.05Å; I399-I463 HydrophobicContact CD1-CD1 3.94Å; I399-I463 HydrophobicContact CD1-CG1 3.85Å; I399-I463 HydrophobicContact CG2-CD1 3.95Å; L411-I463 HydrophobicContact CD2-CG2 3.67Å; A415-I463 WeakPolarHBondContact O-CA 3.32Å; F440-I463 HydrophobicContact CE2-CG1 4.47Å; F440-I463 HydrophobicContact CE2-CG2 3.77Å; F440-I463 HydrophobicContact CZ-CD1 4.27Å; F440-I463 HydrophobicContact CZ-CG1 4.06Å; F440-I463 HydrophobicContact CZ-CG2 3.8Å; I463-I475 HydrophobicContact CD1-CD1 3.93Å; I463-I475 HydrophobicContact CD1-CG2 4.42Å; I463-I478 HydrophobicContact CD1-CD1 4.22Å
464	V	96.9	Very high	95.1	Very high	20 Å²	20	42.3 Å²	42.3	12%	0.121	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135.1	175.1	65.7	0	0	0	0	110	G414 A415 E417 T466	G414-V464 CarbonylContact C-O 3.58Å; G414-V464 WeakPolarHBondContact CA-O 3.39Å; A415-V464 HydrophobicContact CB-CG1 3.89Å; A415-V464 PolarHBondContact N-O 2.78Å; A415-V464 PolarHBondContact O-N 2.93Å; E417-V464 HydrophobicContact CG-CG1 4.21Å; E417-V464 WeakPolarHBondContact OE2-CG1 3.29Å; V464-T466 HydrophobicContact CG1-CG2 4.43Å; V464-T466 PolarHBondContact O-N 3.12Å
465	V	97.9	Very high	95.3	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	115.9	177.9	179.7	0	0	0	0	108.4	P378 S379 G381 D382 L411 A467	P378-V465 HydrophobicContact CB-CG1 4.29Å; P378-V465 HydrophobicContact CB-CG2 3.94Å; P378-V465 HydrophobicContact CG-CG1 4.42Å; P378-V465 HydrophobicContact CG-CG2 4.33Å; S379-V465 WeakPolarHBondContact O-CG1 3.38Å; G381-V465 PolarHBondContact N-O 3.27Å; D382-V465 HydrophobicContact CB-CB 4.41Å; D382-V465 HydrophobicContact CB-CG2 4.24Å; D382-V465 WeakPolarHBondContact O-CB 3.39Å; D382-V465 WeakPolarHBondContact O-CG2 3.09Å; D382-V465 PolarHBondContact O-N 3.03Å; L411-V465 HydrophobicContact CD1-CG2 4.09Å; V465-A467 VanDerWaalsContact CG1-O 3.3Å; V465-A467 WeakPolarHBondContact CG1-O 3.19Å
466	T	97.4	Very high	95.4	Very high	64 Å²	64	42.1 Å²	42.1	39%	0.393	21%	0.207	S	C	.	.	S	Bend	trans	-91.6	-19.3	-174.1	54.1	0	0	0	0	112.7	T380 H413 G414 A415 V464	T380-T466 WeakPolarHBondContact CG2-O 3.29Å; H413-T466 WeakPolarHBondContact CB-OG1 3.12Å; H413-T466 PolarHBondContact O-N 3.41Å; H413-T466 PolarHBondContact O-OG1 2.67Å; G414-T466 PolarHBondContact N-OG1 3.39Å; A415-T466 HydrophobicContact CB-CG2 3.98Å; V464-T466 HydrophobicContact CG1-CG2 4.43Å; V464-T466 PolarHBondContact O-N 3.12Å
467	A	97.6	Very high	95.3	Very high	34 Å²	34	42 Å²	42	28%	0.281	21%	0.212	S	C	.	.	S	Bend	trans	-145.6	139.4	169.5	0	0	0	0	0	111.5	T380 H413 V465	T380-A467 WeakPolarHBondContact OG1-CA 3.12Å; H413-A467 HydrophobicContact CB-CB 3.74Å; V465-A467 VanDerWaalsContact CG1-O 3.3Å; V465-A467 WeakPolarHBondContact CG1-O 3.19Å
468	S	97.3	Very high	95.4	Very high	70 Å²	70	38.2 Å²	38.2	49%	0.49	19%	0.191	S	C	.	.			trans	-58.7	143.8	176	-54.6	0	0	0	0	112.6	S379 T380	S379-S468 WeakPolarHBondContact CA-OG 3.32Å; T380-S468 PolarHBondContact N-OG 3.22Å; T380-S468 PolarHBondContact OG1-N 3.37Å; T380-S468 PolarHBondContact OG1-OG 2.91Å
469	Q	96.4	Very high	95.2	Very high	18 Å²	18	39.2 Å²	39.2	8%	0.084	20%	0.198	C	C	.	.			trans	-127.9	160.6	173.3	62.3	-175.6	70.3	0	0	111.2	P377 P378 F410 H412 E471	P377-Q469 WeakPolarHBondContact CB-O 3.02Å; P378-Q469 HydrophobicContact CG-CG 3.73Å; P378-Q469 PolarHBondContact O-N 2.82Å; F410-Q469 PolarHBondContact O-NE2 3.22Å; H412-Q469 VanDerWaalsContact N-OE1 3.08Å; Q469-E471 PolarHBondContact NE2-O 3.02Å
470	K	95.8	Very high	95.1	Very high	181 Å²	181	36.4 Å²	36.4	79%	0.787	19%	0.185	S	C	*	.	S	Bend	trans	-94.5	-24.6	-179.5	-68	-177.2	-178.1	176.1	0	112.2	P377	P377-K470 WeakPolarHBondContact CB-O 3.16Å; P377-K470 WeakPolarHBondContact CG-O 3.18Å
471	E	96	Very high	94.9	Very high	78 Å²	78	37.2 Å²	37.2	36%	0.364	19%	0.188	S	C	.	.	S	Bend	trans	-75.3	150.9	178.3	-61.5	70.4	-159	0	0	109.4	P377 H412 Q469	P377-E471 WeakPolarHBondContact CA-O 3.4Å; H412-E471 IonicContact NE2-OE2 2.63Å; Q469-E471 PolarHBondContact NE2-O 3.02Å
472	W	96.1	Very high	94.5	Very high	79 Å²	79	38.5 Å²	38.5	30%	0.299	20%	0.196	S	C	.	.			trans	-72.3	167.3	176.5	-71	34.9	0	0	0	109.5	F357 W374 G375 P377 D409	F357-W472 HydrophobicContact CB-CE3 4.28Å; F357-W472 HydrophobicContact CB-CZ3 3.8Å; F357-W472 HydrophobicContact CD1-CZ3 4.09Å; F357-W472 HydrophobicContact CD2-CE3 4.34Å; F357-W472 AromaticContact CD2-CH2 3.32Å; F357-W472 HydrophobicContact CD2-CH2 3.32Å; F357-W472 AromaticContact CD2-CZ3 3.16Å; F357-W472 HydrophobicContact CD2-CZ3 3.16Å; F357-W472 AromaticContact CE2-CH2 3.53Å; F357-W472 HydrophobicContact CE2-CH2 3.53Å; F357-W472 AromaticContact CE2-CZ3 3.66Å; F357-W472 HydrophobicContact CE2-CZ3 3.66Å; F357-W472 HydrophobicContact CG-CE3 4.3Å; F357-W472 HydrophobicContact CG-CH2 4.06Å; F357-W472 AromaticContact CG-CZ3 3.39Å; F357-W472 HydrophobicContact CG-CZ3 3.39Å; F357-W472 HydrophobicContact CZ-CH2 4.43Å; F357-W472 HydrophobicContact CZ-CZ3 4.3Å; W374-W472 HydrophobicContact CD2-CE3 4.03Å; W374-W472 HydrophobicContact CD2-CZ3 4.28Å; W374-W472 AromaticContact CE2-CE3 3.33Å; W374-W472 AromaticContact CE2-CZ3 3.81Å; W374-W472 HydrophobicContact CG-CE3 4.47Å; W374-W472 HydrophobicContact CH2-CE3 4.02Å; W374-W472 AromaticContact CH2-CZ3 3.67Å; W374-W472 HydrophobicContact CH2-CZ3 3.67Å; W374-W472 HydrophobicContact CZ2-CD2 4.24Å; W374-W472 AromaticContact CZ2-CE3 3.33Å; W374-W472 HydrophobicContact CZ2-CE3 3.33Å; W374-W472 AromaticContact CZ2-CZ3 3.49Å; W374-W472 HydrophobicContact CZ2-CZ3 3.49Å; W374-W472 VanDerWaalsContact CZ2-CZ3 3.49Å; W374-W472 HydrophobicContact CZ3-CZ3 4.23Å; W374-W472 AromaticContact NE1-CE3 3.54Å; G375-W472 VanDerWaalsContact O-CB 3.3Å; G375-W472 WeakPolarHBondContact O-CB 3.32Å; P377-W472 VanDerWaalsContact CD-CD1 3.49Å; P377-W472 HydrophobicContact CG-CG 4.44Å; D409-W472 CarbonylContact C-O 3.56Å; D409-W472 WeakPolarHBondContact CA-O 3.44Å
473	L	96.9	Very high	94	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117	-177.4	174.6	60.7	0	0	0	110.8	I354 W374 G375 P378 T401 L411 I475	I354-L473 HydrophobicContact CD1-CD2 4.02Å; W374-L473 WeakPolarHBondContact CA-O 3.16Å; G375-L473 PolarHBondContact N-O 3.04Å; G375-L473 PolarHBondContact O-N 3.39Å; P378-L473 HydrophobicContact CG-CB 4.17Å; P378-L473 HydrophobicContact CG-CD2 4.22Å; T401-L473 HydrophobicContact CG2-CD1 4.38Å; L411-L473 HydrophobicContact CB-CD1 3.7Å; L411-L473 HydrophobicContact CD1-CD1 4.35Å; L411-L473 HydrophobicContact CD1-CD2 4.28Å; L473-I475 HydrophobicContact CD1-CG1 4.43Å; L473-I475 HydrophobicContact CD2-CD1 4.45Å; L473-I475 HydrophobicContact CD2-CG1 4.32Å; L473-I475 HydrophobicContact CG-CG1 4.23Å
474	I	95.9	Very high	92.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.4	165.6	-64.2	173.4	0	0	0	108.2	Y372 F373 W374 T401 G402 R406 D409	Y372-I474 HydrophobicContact CD2-CG1 4.25Å; Y372-I474 HydrophobicContact CD2-CG2 3.67Å; Y372-I474 HydrophobicContact CE2-CD1 4.24Å; Y372-I474 HydrophobicContact CE2-CG1 4.29Å; Y372-I474 HydrophobicContact CE2-CG2 4.37Å; Y372-I474 HydrophobicContact CG-CG2 3.83Å; F373-I474 VanDerWaalsContact O-CA 3.24Å; F373-I474 WeakPolarHBondContact O-CA 3.1Å; W374-I474 HydrophobicContact CB-CG1 4.48Å; W374-I474 HydrophobicContact CG-CG1 3.92Å; T401-I474 CarbonylContact C-O 3.55Å; T401-I474 WeakPolarHBondContact CA-O 3.42Å; T401-I474 WeakPolarHBondContact CB-O 3.42Å; G402-I474 PolarHBondContact N-O 3.37Å; R406-I474 HydrophobicContact CB-CD1 4.17Å; D409-I474 HydrophobicContact CB-CB 4.46Å; D409-I474 HydrophobicContact CB-CD1 3.8Å; D409-I474 HydrophobicContact CB-CG1 3.84Å; D409-I474 WeakPolarHBondContact O-CB 3.14Å; D409-I474 PolarHBondContact O-N 3.28Å
475	I	95.2	Very high	90.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	106.8	161.8	-56.4	166.4	0	0	0	106.3	A365 Y372 F373 F384 I399 T401 I463 L473 I478	A365-I475 HydrophobicContact CB-CB 3.86Å; A365-I475 HydrophobicContact CB-CG2 3.75Å; A365-I475 WeakPolarHBondContact CB-O 3.38Å; Y372-I475 WeakPolarHBondContact CB-O 3.5Å; F373-I475 HydrophobicContact CB-CB 4.23Å; F373-I475 HydrophobicContact CD1-CB 4.24Å; F373-I475 HydrophobicContact CD1-CD1 3.77Å; F373-I475 HydrophobicContact CD1-CG1 3.94Å; F373-I475 HydrophobicContact CE1-CD1 4.29Å; F373-I475 PolarHBondContact N-O 3.37Å; F373-I475 VanDerWaalsContact N-O 3.14Å; F373-I475 PolarHBondContact O-N 2.88Å; F384-I475 HydrophobicContact CB-CD1 4.01Å; F384-I475 HydrophobicContact CD1-CD1 4.39Å; F384-I475 HydrophobicContact CD2-CD1 3.46Å; F384-I475 VanDerWaalsContact CD2-CD1 3.46Å; F384-I475 HydrophobicContact CE2-CD1 3.9Å; F384-I475 HydrophobicContact CG-CD1 3.73Å; I399-I475 HydrophobicContact CG2-CG2 4.19Å; T401-I475 HydrophobicContact CG2-CG1 4.21Å; T401-I475 HydrophobicContact CG2-CG2 4.49Å; I463-I475 HydrophobicContact CD1-CD1 3.93Å; I463-I475 HydrophobicContact CD1-CG2 4.42Å; L473-I475 HydrophobicContact CD1-CG1 4.43Å; L473-I475 HydrophobicContact CD2-CD1 4.45Å; L473-I475 HydrophobicContact CD2-CG1 4.32Å; L473-I475 HydrophobicContact CG-CG1 4.23Å; I475-I478 HydrophobicContact CG2-CD1 4.04Å; I475-I478 HydrophobicContact CG2-CG1 3.87Å
476	R	90.5	Very high	87.3	Confident	96 Å²	96	52.5 Å²	52.5	36%	0.362	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-50	-170.8	-166.9	-171	-52.4	-160.9	3.9	111	A400 G402 D404	A400-R476 WeakPolarHBondContact O-CB 3.36Å; A400-R476 PolarHBondContact O-N 3.28Å; G402-R476 VanDerWaalsContact C-NH2 3.28Å; G402-R476 WeakPolarHBondContact O-CB 3.46Å; G402-R476 VanDerWaalsContact O-CZ 3.26Å; G402-R476 PolarHBondContact O-NE 3.34Å; G402-R476 PolarHBondContact O-NH2 3.38Å; D404-R476 IonicContact OD1-CZ 3.58Å; D404-R476 IonicContact OD1-NH1 2.69Å; D404-R476 PolarHBondContact OD1-NH1 3.43Å; D404-R476 IonicContact OD1-NH2 3.24Å; D404-R476 PolarHBondContact OD1-NH2 3.44Å
477	S	88.8	Confident	84.3	Confident	44 Å²	44	55.2 Å²	55.2	31%	0.308	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	143.1	-178.8	62.2	0	0	0	0	111.6	I399 A400	I399-S477 WeakPolarHBondContact CA-O 3.35Å; A400-S477 PolarHBondContact N-O 3.47Å; A400-S477 PolarHBondContact O-N 3.44Å
478	I	92.3	Very high	81	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.015	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122	168.1	-58.4	170.5	0	0	0	107.4	N345 A365 Y366 F384 I386 I399 I463 I475 L480	N345-I478 PolarHBondContact ND2-O 3.47Å; A365-I478 HydrophobicContact CB-CD1 4.3Å; A365-I478 PolarHBondContact O-N 3.09Å; Y366-I478 HydrophobicContact CD2-CB 4.08Å; Y366-I478 HydrophobicContact CD2-CG2 3.93Å; Y366-I478 HydrophobicContact CE2-CG2 4.23Å; F384-I478 HydrophobicContact CD1-CD1 4.1Å; F384-I478 HydrophobicContact CE1-CD1 3.48Å; F384-I478 VanDerWaalsContact CE1-CD1 3.48Å; F384-I478 HydrophobicContact CZ-CD1 4.05Å; I386-I478 HydrophobicContact CD1-CB 4.47Å; I386-I478 HydrophobicContact CD1-CD1 3.88Å; I386-I478 HydrophobicContact CD1-CG2 3.61Å; I399-I478 HydrophobicContact CD1-CG2 4.32Å; I399-I478 HydrophobicContact CG1-CB 4.43Å; I399-I478 HydrophobicContact CG1-CG1 4.21Å; I399-I478 HydrophobicContact CG1-CG2 4Å; I399-I478 HydrophobicContact CG2-CG1 3.98Å; I463-I478 HydrophobicContact CD1-CD1 4.22Å; I475-I478 HydrophobicContact CG2-CD1 4.04Å; I475-I478 HydrophobicContact CG2-CG1 3.87Å; I478-L480 HydrophobicContact CG2-CD2 4.04Å; I478-L480 HydrophobicContact CG2-CG 4.2Å
479	S	89.9	Confident	80.2	Confident	22 Å²	22	66.1 Å²	66.1	15%	0.154	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.4	-175.8	-59.2	0	0	0	0	109.1	N345 R398 W481	N345-S479 WeakPolarHBondContact OD1-CA 3.47Å; R398-S479 PolarHBondContact N-O 3.06Å; R398-S479 PolarHBondContact O-N 3.13Å; S479-W481 VanDerWaalsContact CB-CH2 3.49Å; S479-W481 VanDerWaalsContact CB-CZ3 3.5Å; S479-W481 WeakPolarHBondContact O-CZ3 3.27Å
480	L	91.4	Very high	79.3	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.6	-176.8	-52.1	-177.4	0	0	0	109.9	P343 D344 N345 Y366 I386 F388 I394 I397 V461 I478	P343-L480 CarbonylContact C-O 3.51Å; D344-L480 WeakPolarHBondContact CA-O 2.77Å; D344-L480 WeakPolarHBondContact CB-O 3.27Å; D344-L480 PolarHBondContact N-O 3.41Å; N345-L480 PolarHBondContact N-O 3.09Å; N345-L480 VanDerWaalsContact N-O 3.15Å; N345-L480 PolarHBondContact OD1-N 3.4Å; Y366-L480 HydrophobicContact CE2-CD1 3.63Å; Y366-L480 HydrophobicContact CE2-CG 4.1Å; I386-L480 HydrophobicContact CD1-CD1 4.46Å; F388-L480 HydrophobicContact CE1-CD1 3.72Å; F388-L480 HydrophobicContact CZ-CD1 3.51Å; I394-L480 HydrophobicContact CD1-CD1 4.47Å; I397-L480 HydrophobicContact CB-CD2 4.01Å; I397-L480 HydrophobicContact CD1-CD2 4.28Å; I397-L480 HydrophobicContact CG1-CD2 3.73Å; I397-L480 HydrophobicContact CG2-CD2 3.58Å; V461-L480 HydrophobicContact CG2-CD1 4.44Å; I478-L480 HydrophobicContact CG2-CD2 4.04Å; I478-L480 HydrophobicContact CG2-CG 4.2Å
481	W	90.3	Very high	78.4	Confident	17 Å²	17	62.4 Å²	62.4	6%	0.064	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.8	174.7	-65.6	-112.2	0	0	0	110.1	D341 I342 P343 D344 I394 S395 K396 R398 S479	D341-W481 WeakPolarHBondContact O-CZ2 3.11Å; D341-W481 PolarHBondContact O-NE1 3.11Å; D341-W481 PolarHBondContact OD1-NE1 3.27Å; I342-W481 VanDerWaalsContact C-NE1 3.34Å; I342-W481 PolarHBondContact O-NE1 3.23Å; P343-W481 HydrophobicContact CB-CD2 4.13Å; P343-W481 HydrophobicContact CB-CE3 4.34Å; P343-W481 HydrophobicContact CB-CH2 4.15Å; P343-W481 HydrophobicContact CB-CZ2 3.93Å; P343-W481 HydrophobicContact CB-CZ3 4.36Å; P343-W481 HydrophobicContact CG-CZ2 4.27Å; D344-W481 VanDerWaalsContact OD2-CA 3.26Å; D344-W481 WeakPolarHBondContact OD2-CA 3.31Å; I394-W481 CarbonylContact C-O 3.52Å; I394-W481 WeakPolarHBondContact CA-O 3.38Å; I394-W481 VanDerWaalsContact CG2-O 3.3Å; I394-W481 WeakPolarHBondContact CG2-O 3.47Å; S395-W481 PolarHBondContact N-O 3.19Å; S395-W481 WeakPolarHBondContact OG-CB 3.37Å; S395-W481 PolarHBondContact OG-O 3.14Å; K396-W481 HydrophobicContact CB-CB 4.02Å; K396-W481 HydrophobicContact CB-CD2 4.14Å; K396-W481 HydrophobicContact CB-CE3 3.82Å; K396-W481 HydrophobicContact CB-CG 4.24Å; K396-W481 HydrophobicContact CD-CD2 3.97Å; K396-W481 HydrophobicContact CD-CE3 3.79Å; K396-W481 HydrophobicContact CD-CH2 4.35Å; K396-W481 HydrophobicContact CD-CZ2 4.49Å; K396-W481 HydrophobicContact CD-CZ3 3.99Å; K396-W481 HydrophobicContact CG-CD2 4.19Å; K396-W481 HydrophobicContact CG-CE3 3.62Å; K396-W481 HydrophobicContact CG-CZ3 3.95Å; K396-W481 PolarHBondContact N-O 3.48Å; K396-W481 PolarHBondContact O-N 3.36Å; R398-W481 HydrophobicContact CB-CH2 4.09Å; R398-W481 HydrophobicContact CB-CZ3 3.78Å; S479-W481 VanDerWaalsContact CB-CH2 3.49Å; S479-W481 VanDerWaalsContact CB-CZ3 3.5Å; S479-W481 WeakPolarHBondContact O-CZ3 3.27Å
482	T	88.9	Confident	77.4	Confident	28 Å²	28	61.5 Å²	61.5	17%	0.172	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	148.7	-179.8	64.1	0	0	0	0	111.6	D344 P346 T392 K393 Q484	D344-T482 HydrophobicContact CB-CG2 3.91Å; D344-T482 PolarHBondContact OD2-N 3.45Å; D344-T482 PolarHBondContact OD2-OG1 3.04Å; P346-T482 HydrophobicContact CG-CG2 3.45Å; P346-T482 VanDerWaalsContact CG-CG2 3.45Å; T392-T482 HydrophobicContact CG2-CG2 3.31Å; K393-T482 CarbonylContact O-C 3.56Å; K393-T482 VanDerWaalsContact O-CA 3.26Å; K393-T482 WeakPolarHBondContact O-CA 3.42Å; K393-T482 WeakPolarHBondContact O-CB 3.47Å; T482-Q484 PolarHBondContact O-N 3.49Å
483	T	85.1	Confident	76.2	Confident	46 Å²	46	60.4 Å²	60.4	28%	0.282	34%	0.335	S	S	.	.			trans	-80.1	116	168.9	-48.4	0	0	0	0	107.3	K393 D451	K393-T483 PolarHBondContact O-N 3.45Å; D451-T483 WeakPolarHBondContact CB-OG1 3.34Å; D451-T483 PolarHBondContact OD2-OG1 3.27Å
484	Q	64.3	Low	74.8	Confident	104 Å²	104	64.3 Å²	64.3	49%	0.486	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-61.7	135.3	173.8	-69.3	-69.8	-33.4	0	0	109	T482	T482-Q484 PolarHBondContact O-N 3.49Å
485	P	53.2	Low	73.3	Confident	99 Å²	99	68.9 Å²	68.9	64%	0.643	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-58.7	142	168.8	24.6	-30	0	0	0	108.2	S487	P485-S487 PolarHBondContact O-N 3.44Å
486	P	34.5	Very low	71.7	Confident	118 Å²	118	74.2 Å²	74.2	77%	0.766	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-54.2	122.2	174.5	21.2	-30.3	0	0	0	108.1	Q488	P486-Q488 PolarHBondContact O-N 3.25Å
487	S	34.4	Very low	70.1	Confident	121 Å²	121	72.3 Å²	72.3	85%	0.846	42%	0.415	S	S	*	.			trans	-53.6	112.2	175	47.1	0	0	0	0	108.4	P485	P485-S487 PolarHBondContact O-N 3.44Å
488	Q	28.1	Very low	68.4	Low	266 Å²	266	74.9 Å²	74.9	100%	1.243	43%	0.425	S	S	*	.			trans	-77.9	0	167.5	-76.8	-172.8	-7.2	0	0	110.6	P486	P486-Q488 PolarHBondContact O-N 3.25Å

Retrieved 488 of 488 residues in 617.8 ms (Link to these results)

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