A0A087XE46_POEFO Loading...

Queuine tRNA-ribosyltransferase catalytic subunit 1

Catalytic subunit of the queuine tRNA-ribosyltransferase (TGT) that catalyzes the base-exchange of a guanine (G) residue with queuine (Q) at position 34 (anticodon wobble position) in tRNAs with GU(N) anticodons (tRNA-Asp, -Asn, -His and -Tyr), resulting in the hypermodified nucleoside queuosine (7-(((4,5-cis-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine). Catalysis occurs through a double-displacement mechanism. The nucleophile active site attacks the C1' of nucleotide 34 to detach the guanine base from the RNA, forming a covalent enzyme-RNA intermediate. The proton acceptor active site deprotonates the incoming queuine, allowing a nucleophilic attack on the C1' of the ribose to form the product.

AlphaFold DB , UniProt , Accession A0A087XE46, Species POEFO (Poecilia formosa, Amazon molly), Gene QTRT1, Length 424 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	36.7	Very low	34.3	Very low	244 Å²	244	132.3 Å²	132.3	100%	1.202	86%	0.857	S	S	*	*				0	130.7	0	-85	170.9	169.5	0	0	107.7
2	S	34.2	Very low	34.4	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	86%	0.859	S	S	*	*			trans	-42.5	155.8	171.9	50.8	0	0	0	0	114.4
3	T	35.7	Very low	34.3	Very low	123 Å²	123	134.4 Å²	134.4	76%	0.755	85%	0.85	S	S	*	*			cis	-162.7	131.5	45.8	27.6	0	0	0	0	110.1
4	V	37.3	Very low	34.5	Very low	148 Å²	148	131.2 Å²	131.2	90%	0.897	83%	0.834	S	S	*	*				54.4	121.7	105.6	-169.3	0	0	0	0	117.9
5	G	29.7	Very low	34.7	Very low	77 Å²	77	134.6 Å²	134.6	79%	0.794	84%	0.835	S	S	*	*			trans	175.6	103.8	159.2	0	0	0	0	0	111.4
6	G	31	Very low	35.2	Very low	75 Å²	75	132.5 Å²	132.5	77%	0.773	82%	0.822	S	S	*	*			trans	-90.3	169.7	-171.9	0	0	0	0	0	116
7	N	32.5	Very low	35.6	Very low	174 Å²	174	131.8 Å²	131.8	93%	0.93	81%	0.811	S	S	*	*			trans	-158.1	120.8	145.6	-114.5	-10.5	0	0	0	110
8	M	33.3	Very low	35.6	Very low	193 Å²	193	127.2 Å²	127.2	95%	0.951	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-84.9	127.9	173.8	-75.2	-172.8	-83.1	0	0	109.4
9	A	35.5	Very low	35.9	Very low	100 Å²	100	126.1 Å²	126.1	83%	0.826	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-87.8	129.8	165.8	0	0	0	0	0	109.3
10	A	35.5	Very low	36.3	Very low	93 Å²	93	125.9 Å²	125.9	77%	0.769	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-71.8	145.3	178.1	0	0	0	0	0	111.8
11	P	35.7	Very low	36.6	Very low	120 Å²	120	128 Å²	128	78%	0.779	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-82	134.4	171.7	31.3	-27.7	0	0	0	110.8	T13	P11-T13 PolarHBondContact O-N 3.45Å
12	I	35.5	Very low	36.8	Very low	171 Å²	171	122.6 Å²	122.6	88%	0.877	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-69.5	116.2	171.7	-64.1	164.8	0	0	0	107.9
13	T	33.7	Very low	37.2	Very low	121 Å²	121	121.8 Å²	121.8	74%	0.742	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-79	121.4	171.2	46	0	0	0	0	109.9	P11 E15	P11-T13 PolarHBondContact O-N 3.45Å; T13-E15 PolarHBondContact O-N 3.07Å
14	S	36.5	Very low	37.3	Very low	90 Å²	90	119.1 Å²	119.1	63%	0.629	72%	0.718	S	S	*	*			trans	-77.2	102.2	176.7	54.3	0	0	0	0	111.5	T16	S14-T16 PolarHBondContact O-N 3.23Å
15	E	38.3	Very low	37.4	Very low	182 Å²	182	119.5 Å²	119.5	85%	0.85	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	19	174.5	-87	-175.5	157.7	0	0	114.4	T13	T13-E15 PolarHBondContact O-N 3.07Å
16	T	42.4	Very low	37.7	Very low	101 Å²	101	123.3 Å²	123.3	62%	0.62	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-6.8	-172.1	47	0	0	0	0	115.8	S14	S14-T16 PolarHBondContact O-N 3.23Å
17	D	40.9	Very low	37.9	Very low	120 Å²	120	125.9 Å²	125.9	64%	0.642	70%	0.703	S	S	*	*	S	Bend	trans	-94.2	-12.6	-176.6	-82.4	-15.1	0	0	0	115.1
18	G	36.3	Very low	38	Very low	49 Å²	49	126 Å²	126	51%	0.505	70%	0.695	S	S	.	*	H	α-helix	trans	-77.2	-34.3	176.8	0	0	0	0	0	113.6	E22	G18-E22 PolarHBondContact O-N 3.34Å
19	N	40.7	Very low	38.3	Very low	107 Å²	107	125.8 Å²	125.8	57%	0.572	69%	0.689	S	S	*	*	H	α-helix	trans	-84.2	-15.7	-167.9	-129.7	-9.9	0	0	0	114.2	N23	N19-N23 WeakPolarHBondContact O-CB 3.07Å; N19-N23 PolarHBondContact O-N 2.84Å; N19-N23 PolarHBondContact O-ND2 3.47Å
20	I	44	Very low	38.4	Very low	122 Å²	122	126.6 Å²	126.6	63%	0.626	68%	0.683	S	S	*	*	H	α-helix	trans	-86.8	-31.3	178.2	-59.2	177.4	0	0	0	111	S24	I20-S24 WeakPolarHBondContact O-CB 3.35Å; I20-S24 PolarHBondContact O-N 3.13Å; I20-S24 VanDerWaalsContact O-N 3.1Å
21	K	43.3	Very low	38.8	Very low	171 Å²	171	129.7 Å²	129.7	74%	0.743	69%	0.686	S	S	*	*	H	α-helix	trans	-76.5	-38.3	176	-81	-178.6	177.3	174.1	0	112.6	S24 M25	K21-S24 PolarHBondContact O-N 2.84Å; K21-M25 WeakPolarHBondContact O-CB 3.41Å; K21-M25 PolarHBondContact O-N 2.93Å; K21-M25 VanDerWaalsContact O-N 3.09Å
22	E	41.5	Very low	39.2	Very low	130 Å²	130	129.1 Å²	129.1	61%	0.607	69%	0.685	S	S	*	*	H	α-helix	trans	-68.1	-40.2	174.9	-81.4	-176.8	151.6	0	0	112.2	G18 S24 M25 F26	G18-E22 PolarHBondContact O-N 3.34Å; E22-S24 PolarHBondContact O-N 3.39Å; E22-M25 PolarHBondContact O-N 3.41Å; E22-F26 PolarHBondContact O-N 3.17Å
23	N	41.3	Very low	40.5	Very low	91 Å²	91	125.3 Å²	125.3	49%	0.487	68%	0.679	S	S	.	*	H	α-helix	trans	-67.4	-32.9	173.6	-88.5	-30.3	0	0	0	113.1	N19 M25 L27	N19-N23 WeakPolarHBondContact O-CB 3.07Å; N19-N23 PolarHBondContact O-N 2.84Å; N19-N23 PolarHBondContact O-ND2 3.47Å; N23-M25 VanDerWaalsContact C-N 3.33Å; N23-L27 HydrophobicContact CB-CD1 4.36Å; N23-L27 VanDerWaalsContact O-CB 3.28Å; N23-L27 WeakPolarHBondContact O-CB 3.42Å; N23-L27 WeakPolarHBondContact O-CD1 3.32Å; N23-L27 PolarHBondContact O-N 2.99Å
24	S	39.4	Very low	42.2	Very low	66 Å²	66	124.8 Å²	124.8	46%	0.462	68%	0.675	S	S	.	*	H	α-helix	trans	-68	-33.1	173.4	-176.6	0	0	0	0	112.8	I20 K21 E22 K28	I20-S24 WeakPolarHBondContact O-CB 3.35Å; I20-S24 PolarHBondContact O-N 3.13Å; I20-S24 VanDerWaalsContact O-N 3.1Å; K21-S24 PolarHBondContact O-N 2.84Å; E22-S24 PolarHBondContact O-N 3.39Å; S24-K28 WeakPolarHBondContact O-CB 3.43Å; S24-K28 PolarHBondContact O-N 3.32Å
25	M	38.9	Very low	44.4	Very low	157 Å²	157	124 Å²	124	77%	0.773	67%	0.668	S	S	*	*	H	α-helix	trans	-78.6	-31.9	178.4	-148.1	169.6	-173.9	0	0	112.1	K21 E22 N23	K21-M25 WeakPolarHBondContact O-CB 3.41Å; K21-M25 PolarHBondContact O-N 2.93Å; K21-M25 VanDerWaalsContact O-N 3.09Å; E22-M25 PolarHBondContact O-N 3.41Å; N23-M25 VanDerWaalsContact C-N 3.33Å
26	F	35.8	Very low	46.8	Very low	156 Å²	156	116.6 Å²	116.6	68%	0.684	64%	0.636	S	S	*	*	H	α-helix	trans	-75.2	-39.8	170.9	-96.5	-91.5	0	0	0	113	E22 K28 K29	E22-F26 PolarHBondContact O-N 3.17Å; F26-K28 VanDerWaalsContact C-N 3.32Å; F26-K28 PolarHBondContact O-N 3.33Å; F26-K29 PolarHBondContact O-N 3.02Å
27	L	34	Very low	49.4	Very low	130 Å²	130	112.4 Å²	112.4	68%	0.681	61%	0.61	S	S	*	*	H	α-helix	trans	-72.4	-20.9	177.1	-91.1	115.1	0	0	0	113.8	N23 K29	N23-L27 HydrophobicContact CB-CD1 4.36Å; N23-L27 VanDerWaalsContact O-CB 3.28Å; N23-L27 WeakPolarHBondContact O-CB 3.42Å; N23-L27 WeakPolarHBondContact O-CD1 3.32Å; N23-L27 PolarHBondContact O-N 2.99Å; L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 3.4Å
28	K	34.9	Very low	52.1	Low	175 Å²	175	108.9 Å²	108.9	76%	0.761	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-9.8	172.1	-92.7	-178.7	175.6	177.6	0	114.5	S24 F26	S24-K28 WeakPolarHBondContact O-CB 3.43Å; S24-K28 PolarHBondContact O-N 3.32Å; F26-K28 VanDerWaalsContact C-N 3.32Å; F26-K28 PolarHBondContact O-N 3.33Å
29	K	39.5	Very low	55	Low	190 Å²	190	107.8 Å²	107.8	83%	0.826	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	8.7	179.5	-133	179	-175.4	-178.1	0	114	F26 L27	F26-K29 PolarHBondContact O-N 3.02Å; L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 3.4Å
30	T	39.2	Very low	57.8	Low	116 Å²	116	110.1 Å²	110.1	71%	0.712	58%	0.576	S	S	*	*			trans	-133.4	31.3	-175	-11.5	0	0	0	0	113.3
31	L	42.5	Very low	60.4	Low	159 Å²	159	106.1 Å²	106.1	83%	0.832	56%	0.555	S	S	*	*	S	Bend	trans	-87.8	95.7	144.3	-79.7	159.9	0	0	0	104.5	A33	L31-A33 PolarHBondContact O-N 3.32Å
32	S	45.1	Very low	63	Low	108 Å²	108	100.7 Å²	100.7	76%	0.755	54%	0.536	S	S	*	.			trans	-46.3	106.4	171	162.1	0	0	0	0	107.4	V34	S32-V34 PolarHBondContact O-N 3.5Å; S32-V34 VanDerWaalsContact O-N 3.1Å
33	A	62.6	Low	65.7	Low	90 Å²	90	95.5 Å²	95.5	74%	0.744	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-59.9	118.5	170.4	0	0	0	0	0	105.3	L31	L31-A33 PolarHBondContact O-N 3.32Å
34	V	68.9	Low	68.5	Low	110 Å²	110	95.2 Å²	95.2	67%	0.667	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-52.2	127.3	174.3	178.2	0	0	0	0	106.5	S32 T38	S32-V34 PolarHBondContact O-N 3.5Å; S32-V34 VanDerWaalsContact O-N 3.1Å; V34-T38 HydrophobicContact CG1-CG2 3.94Å
35	P	82.9	Confident	71.3	Confident	74 Å²	74	92.6 Å²	92.6	48%	0.481	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-58.6	145.8	-178.3	24.4	-32.8	0	0	0	109.4	L37 T38	P35-L37 PolarHBondContact O-N 3.05Å; P35-T38 HydrophobicContact CG-CG2 3.71Å
36	P	89.4	Confident	74	Confident	27 Å²	27	90.4 Å²	90.4	18%	0.175	49%	0.49	C	S	.	.	S	Bend	trans	-62.1	-19.3	-176	20.5	-30	0	0	0	113.6	P58 P214 D215 N218	P36-P58 HydrophobicContact CB-CG 4.35Å; P36-P58 WeakPolarHBondContact O-CD 3.42Å; P36-P214 VanDerWaalsContact CG-O 3.27Å; P36-P214 WeakPolarHBondContact CG-O 3.47Å; P36-D215 WeakPolarHBondContact CB-O 3.45Å; P36-N218 WeakPolarHBondContact CG-OD1 3.3Å
37	L	96.6	Very high	77	Confident	13 Å²	13	85.7 Å²	85.7	7%	0.068	47%	0.474	C	S	.	.			trans	-120.5	125.3	166	-174	161.7	0	0	0	110	P35 T56 L57 N218 F220 P245 P277	P35-L37 PolarHBondContact O-N 3.05Å; L37-T56 VanDerWaalsContact CA-O 3.32Å; L37-T56 WeakPolarHBondContact CA-O 3.18Å; L37-L57 HydrophobicContact CB-CD2 4.01Å; L37-L57 HydrophobicContact CD1-CD2 3.81Å; L37-L57 HydrophobicContact CG-CD2 3.89Å; L37-N218 HydrophobicContact CB-CB 4.29Å; L37-N218 VanDerWaalsContact CB-CG 3.42Å; L37-N218 WeakPolarHBondContact CB-OD1 3.32Å; L37-N218 HydrophobicContact CD1-CB 4.23Å; L37-N218 PolarHBondContact N-OD1 3.02Å; L37-F220 HydrophobicContact CD1-CE1 3.73Å; L37-F220 HydrophobicContact CD1-CZ 3.9Å; L37-P245 HydrophobicContact CB-CB 4.27Å; L37-P245 HydrophobicContact CD1-CB 4.41Å; L37-P277 HydrophobicContact CD1-CG 4.28Å; L37-P277 HydrophobicContact CD2-CG 4.4Å
38	T	96.9	Very high	80.1	Confident	46 Å²	46	80.1 Å²	80.1	28%	0.282	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.4	162.6	59.3	0	0	0	0	109.8	V34 P35 L55 T56	V34-T38 HydrophobicContact CG1-CG2 3.94Å; P35-T38 HydrophobicContact CG-CG2 3.71Å; T38-L55 WeakPolarHBondContact O-CA 3.38Å; T38-T56 PolarHBondContact N-O 2.98Å; T38-T56 PolarHBondContact O-N 3.5Å; T38-T56 VanDerWaalsContact OG1-CB 3.3Å; T38-T56 WeakPolarHBondContact OG1-CB 3.34Å; T38-T56 PolarHBondContact OG1-OG1 3.11Å
39	L	97.9	Very high	83.1	Confident	26 Å²	26	74.6 Å²	74.6	14%	0.136	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.8	172.7	-177.3	153.8	0	0	0	109.1	I41 C53 L55 P277	L39-I41 HydrophobicContact CD2-CD1 4.39Å; L39-I41 HydrophobicContact CD2-CG1 3.55Å; L39-C53 HydrophobicContact CD1-CB 4.45Å; L39-C53 HydrophobicContact CD2-CB 4.16Å; L39-C53 HydrophobicContact CG-CB 4.07Å; L39-L55 HydrophobicContact CB-CD2 3.85Å; L39-L55 HydrophobicContact CD1-CD2 3.61Å; L39-L55 HydrophobicContact CG-CD2 3.7Å; L39-P277 HydrophobicContact CD1-CB 3.96Å; L39-P277 HydrophobicContact CD1-CG 4.42Å
40	R	98.2	Very high	85.9	Confident	156 Å²	156	65.5 Å²	65.5	59%	0.589	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.8	169.2	-177.6	-177.9	70	144.1	-0.4	109.6	V42 C53 D54	R40-V42 PolarHBondContact O-N 3.06Å; R40-C53 CarbonylContact O-C 3.33Å; R40-C53 WeakPolarHBondContact O-CA 3.07Å; R40-C53 VanDerWaalsContact O-CB 3.32Å; R40-C53 WeakPolarHBondContact O-CB 3.38Å; R40-D54 IonicContact CZ-OD2 3.56Å; R40-D54 PolarHBondContact N-O 3.21Å; R40-D54 IonicContact NE-OD2 2.69Å; R40-D54 IonicContact NH2-OD2 2.7Å; R40-D54 PolarHBondContact NH2-OD2 3.42Å; R40-D54 PolarHBondContact O-N 3.15Å
41	I	98.6	Very high	88.8	Confident	37 Å²	37	60.2 Å²	60.2	19%	0.19	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	118.5	171.1	-57.9	172.7	0	0	0	108	L39 E44 R274	L39-I41 HydrophobicContact CD2-CD1 4.39Å; L39-I41 HydrophobicContact CD2-CG1 3.55Å; I41-E44 HydrophobicContact CG2-CG 3.59Å; I41-R274 HydrophobicContact CD1-CG 4.03Å
42	V	98.6	Very high	91.4	Very high	58 Å²	58	52.7 Å²	52.7	35%	0.352	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-42.1	-179.3	177.7	0	0	0	0	110.8	R40 A52 D54 V386	R40-V42 PolarHBondContact O-N 3.06Å; V42-A52 WeakPolarHBondContact CA-O 3.4Å; V42-A52 WeakPolarHBondContact CB-O 3.44Å; V42-A52 PolarHBondContact N-O 3.31Å; V42-D54 HydrophobicContact CG2-CB 4.49Å; V42-D54 VanDerWaalsContact CG2-OD2 3.31Å; V42-D54 WeakPolarHBondContact CG2-OD2 3.44Å; V42-V386 HydrophobicContact CG1-CG2 4.26Å
43	A	98.8	Very high	94	Very high	21 Å²	21	47.5 Å²	47.5	17%	0.174	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	153.8	177.1	0	0	0	0	0	110.4	R51 A52 I385 V386	A43-R51 WeakPolarHBondContact O-CA 3.38Å; A43-A52 HydrophobicContact CB-CB 4.48Å; A43-A52 PolarHBondContact N-O 2.88Å; A43-A52 PolarHBondContact O-N 2.96Å; A43-I385 HydrophobicContact CB-CG2 4.36Å; A43-V386 HydrophobicContact CB-CB 4.46Å; A43-V386 HydrophobicContact CB-CG2 4.14Å
44	E	98.8	Very high	95.7	Very high	85 Å²	85	44.5 Å²	44.5	40%	0.397	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.2	171.9	-63.5	-179.9	118.8	0	0	108.5	I41 A50 R51 R274	I41-E44 HydrophobicContact CG2-CG 3.59Å; E44-A50 WeakPolarHBondContact CA-O 3.49Å; E44-R51 HydrophobicContact CG-CB 4.33Å; E44-R51 HydrophobicContact CG-CG 4.03Å; E44-R274 VanDerWaalsContact CD-NH2 3.25Å; E44-R274 IonicContact OE1-CZ 3.04Å; E44-R274 IonicContact OE1-NE 3.97Å; E44-R274 PolarHBondContact OE1-NE 2.85Å; E44-R274 VanDerWaalsContact OE1-NE 3.08Å; E44-R274 IonicContact OE1-NH2 2.89Å; E44-R274 PolarHBondContact OE1-NH2 3.1Å; E44-R274 IonicContact OE2-CZ 2.63Å; E44-R274 IonicContact OE2-NE 3.88Å; E44-R274 IonicContact OE2-NH2 2.66Å; E44-R274 PolarHBondContact OE2-NH2 3.36Å
45	C	98.6	Very high	97.1	Very high	10 Å²	10	39.3 Å²	39.3	7%	0.068	21%	0.213	C	C	.	.			trans	-68.8	131.3	173.1	-178.2	0	0	0	0	109.1	V47 T48 A50 F390	C45-V47 PolarHBondContact O-N 3.03Å; C45-T48 WeakPolarHBondContact CB-OG1 3.27Å; C45-T48 VanDerWaalsContact O-O 3.1Å; C45-T48 PolarHBondContact SG-N 3.04Å; C45-T48 VanDerWaalsContact SG-N 3.41Å; C45-T48 PolarHBondContact SG-OG1 3.36Å; C45-A50 HydrophobicContact CB-CB 3.99Å; C45-A50 PolarHBondContact N-O 3.21Å; C45-F390 HydrophobicContact CB-CD1 4.44Å
46	P	96.4	Very high	97.8	Very high	112 Å²	112	39 Å²	39	73%	0.727	21%	0.21	S	C	*	.	S	Bend	trans	-74	-11.1	178.6	28.9	-34.3	0	0	0	113.8
47	V	98.3	Very high	98.2	Very high	56 Å²	56	38.1 Å²	38.1	34%	0.339	20%	0.204	S	C	.	.	S	Bend	trans	-107.6	-42.4	-174.6	178.5	0	0	0	0	112.2	C45 P391 V419 N420 V421	C45-V47 PolarHBondContact O-N 3.03Å; V47-P391 HydrophobicContact CB-CG 3.79Å; V47-P391 HydrophobicContact CG1-CG 4.1Å; V47-P391 HydrophobicContact CG2-CG 3.92Å; V47-V419 VanDerWaalsContact O-O 3.09Å; V47-N420 HydrophobicContact CG1-CB 3.78Å; V47-N420 WeakPolarHBondContact CG1-O 3.32Å; V47-N420 PolarHBondContact O-ND2 2.49Å; V47-V421 HydrophobicContact CG1-CG2 4.22Å
48	T	98.6	Very high	98.1	Very high	14 Å²	14	40.7 Å²	40.7	9%	0.086	22%	0.222	C	C	.	.	S	Bend	trans	-110	-176.9	-176	74.2	0	0	0	0	111.4	C45 A50 A294 V419 V421	C45-T48 WeakPolarHBondContact CB-OG1 3.27Å; C45-T48 VanDerWaalsContact O-O 3.1Å; C45-T48 PolarHBondContact SG-N 3.04Å; C45-T48 VanDerWaalsContact SG-N 3.41Å; C45-T48 PolarHBondContact SG-OG1 3.36Å; T48-A50 VanDerWaalsContact C-N 3.26Å; T48-A50 PolarHBondContact O-N 3.29Å; T48-A50 VanDerWaalsContact OG1-CB 3.32Å; T48-A50 WeakPolarHBondContact OG1-CB 3.44Å; T48-A50 PolarHBondContact OG1-N 2.63Å; T48-A294 HydrophobicContact CG2-CB 4.34Å; T48-V419 HydrophobicContact CG2-CB 4.4Å; T48-V419 HydrophobicContact CG2-CG2 4.11Å; T48-V419 WeakPolarHBondContact CG2-O 3.49Å; T48-V421 HydrophobicContact CG2-CG2 3.43Å; T48-V421 VanDerWaalsContact CG2-CG2 3.43Å
49	K	98.6	Very high	98.1	Very high	58 Å²	58	42.8 Å²	42.8	25%	0.252	23%	0.228	S	C	.	.	S	Bend	trans	-86.9	6.1	175.2	-56.7	174.4	-173.9	175.8	0	113.1	R51 T266 D270 A294 L295 G296 V419	K49-R51 WeakPolarHBondContact O-CG 3.32Å; K49-T266 PolarHBondContact NZ-OG1 3.33Å; K49-D270 WeakPolarHBondContact CE-OD1 3.37Å; K49-D270 IonicContact NZ-OD1 3.71Å; K49-D270 PolarHBondContact NZ-OD1 3.27Å; K49-D270 IonicContact NZ-OD2 3.94Å; K49-D270 PolarHBondContact NZ-OD2 3.46Å; K49-A294 WeakPolarHBondContact CB-O 3.35Å; K49-A294 PolarHBondContact N-O 2.66Å; K49-L295 WeakPolarHBondContact CD-O 3.2Å; K49-G296 VanDerWaalsContact O-CA 3.3Å; K49-G296 WeakPolarHBondContact O-CA 3.28Å; K49-V419 HydrophobicContact CD-CG1 4.09Å; K49-V419 HydrophobicContact CG-CG1 4.1Å
50	A	98.9	Very high	98	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.233	C	C	.	.			trans	-69.5	141.9	-173.8	0	0	0	0	0	112.6	E44 C45 T48 V293 I385 F390	E44-A50 WeakPolarHBondContact CA-O 3.49Å; C45-A50 HydrophobicContact CB-CB 3.99Å; C45-A50 PolarHBondContact N-O 3.21Å; T48-A50 VanDerWaalsContact C-N 3.26Å; T48-A50 PolarHBondContact O-N 3.29Å; T48-A50 VanDerWaalsContact OG1-CB 3.32Å; T48-A50 WeakPolarHBondContact OG1-CB 3.44Å; T48-A50 PolarHBondContact OG1-N 2.63Å; A50-V293 VanDerWaalsContact CA-O 3.25Å; A50-V293 WeakPolarHBondContact CA-O 3.43Å; A50-V293 HydrophobicContact CB-CG1 3.84Å; A50-V293 WeakPolarHBondContact CB-O 3.44Å; A50-I385 HydrophobicContact CB-CD1 3.84Å; A50-I385 HydrophobicContact CB-CG1 4.07Å; A50-F390 HydrophobicContact CB-CD1 3.46Å; A50-F390 VanDerWaalsContact CB-CD1 3.46Å; A50-F390 HydrophobicContact CB-CE1 3.39Å; A50-F390 HydrophobicContact CB-CG 4.48Å; A50-F390 HydrophobicContact CB-CZ 4.36Å
51	R	98.8	Very high	97.9	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.019	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.5	-178.2	-43.7	-179.1	-59.6	156.6	-3.5	110	A43 E44 K49 R274 K276 D298	A43-R51 WeakPolarHBondContact O-CA 3.38Å; E44-R51 HydrophobicContact CG-CB 4.33Å; E44-R51 HydrophobicContact CG-CG 4.03Å; K49-R51 WeakPolarHBondContact O-CG 3.32Å; R51-R274 PolarHBondContact NH1-O 2.9Å; R51-K276 PolarHBondContact NH2-O 2.94Å; R51-D298 IonicContact CZ-OD1 3.73Å; R51-D298 IonicContact CZ-OD2 3.29Å; R51-D298 IonicContact NE-OD1 3.37Å; R51-D298 PolarHBondContact NE-OD1 3.35Å; R51-D298 VanDerWaalsContact NH2-CG 3.31Å; R51-D298 IonicContact NH2-OD1 2.89Å; R51-D298 PolarHBondContact NH2-OD1 2.7Å; R51-D298 VanDerWaalsContact NH2-OD1 3.16Å; R51-D298 IonicContact NH2-OD2 3.08Å; R51-D298 PolarHBondContact NH2-OD2 3.41Å
52	A	98.9	Very high	97.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.2	168	0	0	0	0	0	107.7	V42 A43 T64 R382 I385 V386	V42-A52 WeakPolarHBondContact CA-O 3.4Å; V42-A52 WeakPolarHBondContact CB-O 3.44Å; V42-A52 PolarHBondContact N-O 3.31Å; A43-A52 HydrophobicContact CB-CB 4.48Å; A43-A52 PolarHBondContact N-O 2.88Å; A43-A52 PolarHBondContact O-N 2.96Å; A52-T64 WeakPolarHBondContact CA-O 3.49Å; A52-R382 HydrophobicContact CB-CG 3.78Å; A52-I385 HydrophobicContact CB-CB 4.18Å; A52-I385 HydrophobicContact CB-CG2 3.92Å; A52-V386 HydrophobicContact CB-CG2 3.74Å
53	C	98.7	Very high	97.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	163.9	179.5	-45.8	0	0	0	0	111	L39 R40 T64	L39-C53 HydrophobicContact CD1-CB 4.45Å; L39-C53 HydrophobicContact CD2-CB 4.16Å; L39-C53 HydrophobicContact CG-CB 4.07Å; R40-C53 CarbonylContact O-C 3.33Å; R40-C53 WeakPolarHBondContact O-CA 3.07Å; R40-C53 VanDerWaalsContact O-CB 3.32Å; R40-C53 WeakPolarHBondContact O-CB 3.38Å; C53-T64 WeakPolarHBondContact CA-OG1 3.23Å; C53-T64 WeakPolarHBondContact CB-OG1 3.39Å; C53-T64 PolarHBondContact N-O 3.23Å; C53-T64 PolarHBondContact N-OG1 3.2Å; C53-T64 VanDerWaalsContact N-OG1 3.15Å; C53-T64 PolarHBondContact O-N 2.63Å; C53-T64 PolarHBondContact O-OG1 3.1Å
54	D	98.6	Very high	97.9	Very high	27 Å²	27	35.1 Å²	35.1	14%	0.144	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.5	162.9	-61.8	-35.2	0	0	0	108.2	R40 V42 S63 R382	R40-D54 IonicContact CZ-OD2 3.56Å; R40-D54 PolarHBondContact N-O 3.21Å; R40-D54 IonicContact NE-OD2 2.69Å; R40-D54 IonicContact NH2-OD2 2.7Å; R40-D54 PolarHBondContact NH2-OD2 3.42Å; R40-D54 PolarHBondContact O-N 3.15Å; V42-D54 HydrophobicContact CG2-CB 4.49Å; V42-D54 VanDerWaalsContact CG2-OD2 3.31Å; V42-D54 WeakPolarHBondContact CG2-OD2 3.44Å; D54-S63 PolarHBondContact OD1-OG 2.68Å; D54-R382 IonicContact OD1-CZ 3.72Å; D54-R382 IonicContact OD1-NE 2.72Å; D54-R382 IonicContact OD1-NH2 2.75Å; D54-R382 PolarHBondContact OD1-NH2 3.4Å; D54-R382 IonicContact OD2-NH2 3.57Å
55	L	98.1	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123	170.7	-51.8	178.4	0	0	0	108.1	T38 L39 S61 V62 T64 P277 M299	T38-L55 WeakPolarHBondContact O-CA 3.38Å; L39-L55 HydrophobicContact CB-CD2 3.85Å; L39-L55 HydrophobicContact CD1-CD2 3.61Å; L39-L55 HydrophobicContact CG-CD2 3.7Å; L55-S61 CarbonylContact O-C 3.55Å; L55-S61 WeakPolarHBondContact O-CA 3.44Å; L55-V62 HydrophobicContact CB-CB 4.27Å; L55-V62 PolarHBondContact N-O 3.03Å; L55-V62 PolarHBondContact O-N 3.16Å; L55-T64 HydrophobicContact CD1-CG2 3.72Å; L55-T64 HydrophobicContact CD2-CG2 4.49Å; L55-T64 HydrophobicContact CG-CG2 3.79Å; L55-P277 HydrophobicContact CD1-CB 4.43Å; L55-P277 HydrophobicContact CD2-CB 4.13Å; L55-M299 HydrophobicContact CD1-CG 4.47Å; L55-M299 HydrophobicContact CD1-SD 3.83Å
56	T	97.8	Very high	97.9	Very high	67 Å²	67	31.1 Å²	31.1	41%	0.411	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.6	165.5	-53.8	0	0	0	0	107.7	L37 T38	L37-T56 VanDerWaalsContact CA-O 3.32Å; L37-T56 WeakPolarHBondContact CA-O 3.18Å; T38-T56 PolarHBondContact N-O 2.98Å; T38-T56 PolarHBondContact O-N 3.5Å; T38-T56 VanDerWaalsContact OG1-CB 3.3Å; T38-T56 WeakPolarHBondContact OG1-CB 3.34Å; T38-T56 PolarHBondContact OG1-OG1 3.11Å
57	L	97.4	Very high	98	Very high	9 Å²	9	25.9 Å²	25.9	5%	0.047	15%	0.152	C	C	.	.			trans	-125.7	165.4	177	-71.5	172.5	0	0	0	109	L37 H59 S60 V62 I91 N123 D175 I176	L37-L57 HydrophobicContact CB-CD2 4.01Å; L37-L57 HydrophobicContact CD1-CD2 3.81Å; L37-L57 HydrophobicContact CG-CD2 3.89Å; L57-H59 VanDerWaalsContact C-N 3.31Å; L57-H59 PolarHBondContact O-N 2.99Å; L57-S60 PolarHBondContact N-O 3.05Å; L57-V62 HydrophobicContact CD1-CG2 3.93Å; L57-I91 HydrophobicContact CD1-CD1 4.13Å; L57-N123 WeakPolarHBondContact CB-OD1 3.27Å; L57-N123 HydrophobicContact CD1-CB 3.89Å; L57-D175 HydrophobicContact CB-CB 4.48Å; L57-D175 HydrophobicContact CD1-CB 4.48Å; L57-I176 HydrophobicContact CD1-CD1 3.97Å; L57-I176 HydrophobicContact CD1-CG1 4.32Å; L57-I176 HydrophobicContact CD2-CD1 4.21Å; L57-I176 HydrophobicContact CD2-CG1 4Å
58	P	95.4	Very high	98	Very high	68 Å²	68	23.2 Å²	23.2	44%	0.442	14%	0.136	S	C	.	.	S	Bend	trans	-54.8	-39.1	-174.4	-24.9	30.8	0	0	0	115	P36 D175 K216	P36-P58 HydrophobicContact CB-CG 4.35Å; P36-P58 WeakPolarHBondContact O-CD 3.42Å; P58-D175 WeakPolarHBondContact CB-OD1 3.38Å; P58-D175 WeakPolarHBondContact CD-OD1 3.3Å; P58-K216 WeakPolarHBondContact CG-O 3.31Å
59	H	95.6	Very high	97.9	Very high	89 Å²	89	22.5 Å²	22.5	41%	0.412	13%	0.132	S	C	.	.	S	Bend	trans	-91.3	-35.5	-176.6	-70.6	85.9	0	0	0	114	L57 H115 N123 D175	L57-H59 VanDerWaalsContact C-N 3.31Å; L57-H59 PolarHBondContact O-N 2.99Å; H59-H115 AromaticContact CD2-CD2 3.68Å; H59-H115 AromaticContact CD2-NE2 3.91Å; H59-H115 AromaticContact CE1-CD2 3.67Å; H59-H115 AromaticContact CE1-CE1 3.46Å; H59-H115 PolarHBondContact CE1-CE1 2.96Å; H59-H115 VanDerWaalsContact CE1-CE1 3.46Å; H59-H115 AromaticContact CE1-ND1 3.93Å; H59-H115 AromaticContact CE1-NE2 3.31Å; H59-H115 PolarHBondContact CE1-NE2 2.89Å; H59-H115 VanDerWaalsContact CE1-NE2 3.31Å; H59-H115 AromaticContact CG-CD2 3.89Å; H59-H115 AromaticContact CG-NE2 3.68Å; H59-H115 AromaticContact ND1-CD2 3.88Å; H59-H115 AromaticContact ND1-CE1 3.8Å; H59-H115 AromaticContact ND1-NE2 3.3Å; H59-H115 PolarHBondContact ND1-NE2 3.48Å; H59-H115 AromaticContact NE2-CD2 3.55Å; H59-H115 AromaticContact NE2-CG 3.84Å; H59-H115 AromaticContact NE2-NE2 3.7Å; H59-N123 WeakPolarHBondContact CB-OD1 3.42Å; H59-N123 PolarHBondContact N-OD1 3.31Å; H59-D175 IonicContact CE1-OD1 2.72Å; H59-D175 IonicContact CG-OD1 3.8Å; H59-D175 PolarHBondContact N-OD1 3.23Å; H59-D175 IonicContact ND1-OD1 3.46Å; H59-D175 PolarHBondContact ND1-OD1 3.41Å; H59-D175 IonicContact ND1-OD2 3.16Å; H59-D175 PolarHBondContact ND1-OD2 3.21Å
60	S	95.7	Very high	97.6	Very high	36 Å²	36	20.4 Å²	20.4	25%	0.252	12%	0.123	S	C	.	.			trans	-166	169.4	176.5	61.1	0	0	0	0	112.6	L57 N123	L57-S60 PolarHBondContact N-O 3.05Å; S60-N123 PolarHBondContact N-OD1 3.12Å; S60-N123 PolarHBondContact O-ND2 3.36Å; S60-N123 PolarHBondContact O-OD1 2.85Å; S60-N123 PolarHBondContact OG-ND2 3.24Å
61	S	97.1	Very high	96.9	Very high	64 Å²	64	20.5 Å²	20.5	45%	0.448	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	145.1	169.2	-61.4	0	0	0	0	112.1	L55 Q90	L55-S61 CarbonylContact O-C 3.55Å; L55-S61 WeakPolarHBondContact O-CA 3.44Å; S61-Q90 PolarHBondContact O-NE2 2.83Å
62	V	98.6	Very high	95.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.2	175.6	-178.5	0	0	0	0	109.2	L55 L57 V66 Q90 I91 N123	L55-V62 HydrophobicContact CB-CB 4.27Å; L55-V62 PolarHBondContact N-O 3.03Å; L55-V62 PolarHBondContact O-N 3.16Å; L57-V62 HydrophobicContact CD1-CG2 3.93Å; V62-V66 HydrophobicContact CG1-CB 4.04Å; V62-V66 HydrophobicContact CG1-CG1 3.95Å; V62-V66 HydrophobicContact CG1-CG2 3.9Å; V62-Q90 HydrophobicContact CB-CB 4.49Å; V62-Q90 HydrophobicContact CG1-CB 4.29Å; V62-Q90 HydrophobicContact CG2-CB 4.18Å; V62-I91 HydrophobicContact CB-CG2 4.47Å; V62-I91 HydrophobicContact CG1-CG2 3.64Å; V62-I91 HydrophobicContact CG2-CB 4.01Å; V62-I91 HydrophobicContact CG2-CG2 3.95Å; V62-N123 HydrophobicContact CG2-CB 4.5Å; V62-N123 VanDerWaalsContact CG2-ND2 3.26Å; V62-N123 WeakPolarHBondContact CG2-ND2 3.29Å
63	S	98.7	Very high	94.5	Very high	38 Å²	38	26.6 Å²	26.6	27%	0.266	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.7	175.8	-67.1	0	0	0	0	109.8	D54	D54-S63 PolarHBondContact OD1-OG 2.68Å
64	T	98.8	Very high	93	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.3	179	70.6	0	0	0	0	111.6	A52 C53 L55 V66 D298 M299 R382	A52-T64 WeakPolarHBondContact CA-O 3.49Å; C53-T64 WeakPolarHBondContact CA-OG1 3.23Å; C53-T64 WeakPolarHBondContact CB-OG1 3.39Å; C53-T64 PolarHBondContact N-O 3.23Å; C53-T64 PolarHBondContact N-OG1 3.2Å; C53-T64 VanDerWaalsContact N-OG1 3.15Å; C53-T64 PolarHBondContact O-N 2.63Å; C53-T64 PolarHBondContact O-OG1 3.1Å; L55-T64 HydrophobicContact CD1-CG2 3.72Å; L55-T64 HydrophobicContact CD2-CG2 4.49Å; L55-T64 HydrophobicContact CG-CG2 3.79Å; T64-V66 HydrophobicContact CG2-CG1 4.21Å; T64-D298 WeakPolarHBondContact CB-O 3.34Å; T64-D298 HydrophobicContact CG2-CB 4.32Å; T64-M299 HydrophobicContact CG2-CG 4.4Å; T64-R382 WeakPolarHBondContact O-CD 3.42Å; T64-R382 VanDerWaalsContact O-CG 3.31Å; T64-R382 WeakPolarHBondContact O-CG 3.37Å; T64-R382 PolarHBondContact O-NE 3.49Å
65	P	98.8	Very high	92.1	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.019	17%	0.172	C	C	.	.	S	Bend	cis	-67.2	143.7	2.5	26.6	-34.9	0	0	0	113.8	V293 D298 F300 M378 V381 I385	P65-V293 HydrophobicContact CB-CG1 4.44Å; P65-V293 HydrophobicContact CB-CG2 3.58Å; P65-V293 HydrophobicContact CG-CG1 4.04Å; P65-V293 HydrophobicContact CG-CG2 3.87Å; P65-D298 CarbonylContact C-O 3.58Å; P65-D298 WeakPolarHBondContact CA-O 3.44Å; P65-F300 HydrophobicContact CB-CE2 4.37Å; P65-M378 HydrophobicContact CB-SD 4.18Å; P65-V381 HydrophobicContact CG-CB 4.3Å; P65-V381 HydrophobicContact CG-CG1 3.56Å; P65-I385 HydrophobicContact CG-CD1 4.36Å
66	V	98.8	Very high	91.3	Very high	8 Å²	8	29 Å²	29	5%	0.048	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.5	-174.7	68.6	0	0	0	0	112.1	V62 T64 I91 D298 M299 F300	V62-V66 HydrophobicContact CG1-CB 4.04Å; V62-V66 HydrophobicContact CG1-CG1 3.95Å; V62-V66 HydrophobicContact CG1-CG2 3.9Å; T64-V66 HydrophobicContact CG2-CG1 4.21Å; V66-I91 HydrophobicContact CG1-CG2 4.36Å; V66-I91 HydrophobicContact CG2-CG2 3.87Å; V66-D298 PolarHBondContact N-O 3.43Å; V66-M299 HydrophobicContact CG1-CB 4.12Å; V66-M299 HydrophobicContact CG1-CG 3.86Å; V66-F300 PolarHBondContact O-N 3Å
67	F	98.7	Very high	90.6	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.4	169.2	-178.8	-90.4	0	0	0	109.4	P69 L289 F300 C302 P305 Q374 M378	F67-P69 HydrophobicContact CD1-CG 4.35Å; F67-P69 HydrophobicContact CE1-CG 4.37Å; F67-P69 WeakPolarHBondContact O-CD 3.45Å; F67-L289 HydrophobicContact CD2-CD1 4.11Å; F67-L289 HydrophobicContact CD2-CD2 4.19Å; F67-F300 CarbonylContact C-O 3.52Å; F67-F300 WeakPolarHBondContact CA-O 3.37Å; F67-F300 HydrophobicContact CD2-CB 4.2Å; F67-C302 HydrophobicContact CE2-CB 3.84Å; F67-C302 HydrophobicContact CZ-CB 3.96Å; F67-C302 WeakPolarHBondContact CZ-O 3.38Å; F67-P305 HydrophobicContact CE1-CG 3.76Å; F67-P305 HydrophobicContact CZ-CG 3.73Å; F67-Q374 HydrophobicContact CB-CB 4.41Å; F67-Q374 HydrophobicContact CD1-CB 3.65Å; F67-Q374 HydrophobicContact CD1-CG 4.23Å; F67-Q374 HydrophobicContact CE1-CB 4.03Å; F67-Q374 HydrophobicContact CE1-CG 4.12Å; F67-Q374 HydrophobicContact CG-CB 3.94Å; F67-Q374 HydrophobicContact CZ-CG 4.35Å; F67-M378 HydrophobicContact CB-CG 3.73Å
68	M	98.3	Very high	90	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	108.9	-179.8	-67	175.6	-66.6	0	0	109.8	I91 L125 Y279 M299 F300 D301	M68-I91 HydrophobicContact CG-CB 4.44Å; M68-I91 HydrophobicContact CG-CG1 4.2Å; M68-I91 HydrophobicContact CG-CG2 3.72Å; M68-I91 HydrophobicContact SD-CD1 3.95Å; M68-I91 HydrophobicContact SD-CG1 3.93Å; M68-I91 HydrophobicContact SD-CG2 4.21Å; M68-L125 HydrophobicContact CE-CD1 4.1Å; M68-L125 HydrophobicContact SD-CB 4.12Å; M68-L125 HydrophobicContact SD-CD1 4.04Å; M68-Y279 HydrophobicContact CE-CD2 3.82Å; M68-Y279 HydrophobicContact CE-CE1 4.43Å; M68-Y279 HydrophobicContact CE-CE2 3.52Å; M68-Y279 HydrophobicContact CE-CG 4.43Å; M68-M299 HydrophobicContact CE-CB 4.06Å; M68-M299 HydrophobicContact CE-CE 3.87Å; M68-M299 HydrophobicContact SD-CE 3.74Å; M68-F300 WeakPolarHBondContact CB-O 3.48Å; M68-F300 WeakPolarHBondContact CE-O 3.45Å; M68-F300 PolarHBondContact N-O 3.25Å; M68-D301 HydrophobicContact CB-CB 4.09Å; M68-D301 HydrophobicContact CE-CB 4.25Å; M68-D301 WeakPolarHBondContact O-CA 3.37Å
69	P	95.9	Very high	89.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	143.9	170.2	-24	37.2	0	0	0	111.3	F67 L76 L84 C92 L93 I371	F67-P69 HydrophobicContact CD1-CG 4.35Å; F67-P69 HydrophobicContact CE1-CG 4.37Å; F67-P69 WeakPolarHBondContact O-CD 3.45Å; P69-L76 HydrophobicContact CB-CD2 3.41Å; P69-L76 VanDerWaalsContact CB-CD2 3.41Å; P69-L76 HydrophobicContact CB-CG 4.23Å; P69-L76 HydrophobicContact CG-CD2 4.41Å; P69-L84 HydrophobicContact CG-CD1 4.26Å; P69-C92 VanDerWaalsContact O-CB 3.31Å; P69-C92 WeakPolarHBondContact O-CB 3.3Å; P69-L93 PolarHBondContact O-N 3.37Å; P69-I371 HydrophobicContact CG-CG2 3.92Å
70	V	92.4	Very high	89.8	Confident	13 Å²	13	29.8 Å²	29.8	8%	0.079	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	119.5	-175.1	179.2	0	0	0	0	111.9	L93 D301 V303	V70-L93 HydrophobicContact CG1-CD2 3.89Å; V70-L93 HydrophobicContact CG2-CB 4.28Å; V70-L93 HydrophobicContact CG2-CD2 4.44Å; V70-D301 HydrophobicContact CG2-CB 4.28Å; V70-V303 HydrophobicContact CB-CG1 3.96Å; V70-V303 HydrophobicContact CG1-CG1 4Å; V70-V303 HydrophobicContact CG2-CG1 4.19Å
71	G	83.3	Confident	89.7	Confident	2 Å²	2	29 Å²	29	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.8	169.1	0	0	0	0	0	111.8	T75 L93 N95	G71-T75 WeakPolarHBondContact CA-O 3.44Å; G71-L93 WeakPolarHBondContact CA-O 3.48Å; G71-L93 PolarHBondContact N-O 2.92Å; G71-N95 PolarHBondContact O-N 2.88Å; G71-N95 VanDerWaalsContact O-N 3.1Å
72	T	74.4	Confident	89.6	Confident	32 Å²	32	31.2 Å²	31.2	20%	0.196	19%	0.186	C	C	.	.	S	Bend	trans	-82.9	-35	-172.5	-48.8	0	0	0	0	113	T75 H98	T72-T75 PolarHBondContact N-O 2.97Å; T72-H98 WeakPolarHBondContact CG2-CD2 3.31Å; T72-H98 WeakPolarHBondContact CG2-NE2 3.42Å; T72-H98 WeakPolarHBondContact O-CB 3.42Å
73	Q	73.3	Confident	89.5	Confident	101 Å²	101	34.1 Å²	34.1	47%	0.472	20%	0.2	S	C	.	.	S	Bend	trans	-138.8	51.7	-176.3	-76.1	-176.3	-29.6	0	0	111	T75 H98	Q73-T75 PolarHBondContact O-N 3.34Å; Q73-H98 HydrophobicContact CG-CB 3.97Å
74	G	68.3	Low	89.4	Confident	12 Å²	12	32.6 Å²	32.6	12%	0.124	19%	0.189	C	C	.	.	S	Bend	trans	68.4	19.6	-174.6	0	0	0	0	0	112.8	M118	G74-M118 VanDerWaalsContact C-CE 3.5Å; G74-M118 WeakPolarHBondContact CA-SD 3.25Å; G74-M118 VanDerWaalsContact O-CE 3.23Å; G74-M118 WeakPolarHBondContact O-CE 3.48Å; G74-M118 WeakPolarHBondContact O-CG 3.17Å; G74-M118 VanDerWaalsContact O-SD 3.4Å
75	T	80.2	Confident	89.2	Confident	61 Å²	61	34.6 Å²	34.6	37%	0.374	20%	0.198	S	C	.	.	S	Bend	trans	-159.3	143.4	174.4	179.7	0	0	0	0	109.3	G71 T72 Q73 I79	G71-T75 WeakPolarHBondContact CA-O 3.44Å; T72-T75 PolarHBondContact N-O 2.97Å; Q73-T75 PolarHBondContact O-N 3.34Å; T75-I79 PolarHBondContact OG1-O 3.44Å
76	L	80.9	Confident	89.1	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.021	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-72.9	127.4	160.3	-81.7	68.6	0	0	0	106.8	P69 G78 I79 L84 I371	P69-L76 HydrophobicContact CB-CD2 3.41Å; P69-L76 VanDerWaalsContact CB-CD2 3.41Å; P69-L76 HydrophobicContact CB-CG 4.23Å; P69-L76 HydrophobicContact CG-CD2 4.41Å; L76-G78 PolarHBondContact O-N 3.32Å; L76-I79 HydrophobicContact CB-CB 4.02Å; L76-I79 HydrophobicContact CB-CG1 4.35Å; L76-I79 PolarHBondContact O-N 2.94Å; L76-L84 HydrophobicContact CD1-CD2 3.82Å; L76-L84 HydrophobicContact CD2-CD1 3.98Å; L76-L84 HydrophobicContact CD2-CD2 4.08Å; L76-I371 HydrophobicContact CD2-CD1 3.49Å; L76-I371 VanDerWaalsContact CD2-CD1 3.49Å
77	K	82.7	Confident	89	Confident	117 Å²	117	38 Å²	38	51%	0.509	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	106.9	-172	-67	-170.1	177.3	-169.7	0	112.4
78	G	83.4	Confident	88.9	Confident	53 Å²	53	39.5 Å²	39.5	55%	0.546	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	9	177.2	0	0	0	0	0	115.8	L76 H364	L76-G78 PolarHBondContact O-N 3.32Å; G78-H364 PolarHBondContact O-CE1 3.31Å; G78-H364 PolarHBondContact O-ND1 2.79Å
79	I	94	Very high	88.9	Confident	7 Å²	7	39.5 Å²	39.5	4%	0.036	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-116.8	134	-179.9	-53.5	-56.5	0	0	0	110	T75 L76 Q83 L84 T367 I368 I371	T75-I79 PolarHBondContact OG1-O 3.44Å; L76-I79 HydrophobicContact CB-CB 4.02Å; L76-I79 HydrophobicContact CB-CG1 4.35Å; L76-I79 PolarHBondContact O-N 2.94Å; I79-Q83 HydrophobicContact CG2-CB 3.9Å; I79-L84 HydrophobicContact CG2-CB 4.39Å; I79-T367 HydrophobicContact CD1-CG2 3.83Å; I79-T367 HydrophobicContact CG1-CG2 3.66Å; I79-I368 HydrophobicContact CD1-CD1 4.39Å; I79-I368 HydrophobicContact CD1-CG1 3.59Å; I79-I371 HydrophobicContact CG1-CD1 4.33Å
80	T	94.2	Very high	89	Confident	74 Å²	74	42.1 Å²	42.1	45%	0.454	26%	0.26	S	S	.	.			trans	-82.5	159.3	176.6	71.7	0	0	0	0	111.9	D82 Q83 L84	T80-D82 VanDerWaalsContact C-N 3.33Å; T80-D82 PolarHBondContact O-N 2.84Å; T80-Q83 PolarHBondContact O-N 3.48Å; T80-Q83 VanDerWaalsContact OG1-CG 3.27Å; T80-Q83 WeakPolarHBondContact OG1-CG 3.46Å; T80-Q83 PolarHBondContact OG1-N 3.26Å; T80-Q83 PolarHBondContact OG1-OE1 3.23Å; T80-L84 PolarHBondContact O-N 2.95Å; T80-L84 VanDerWaalsContact O-N 3.09Å
81	A	93.4	Very high	89.3	Confident	19 Å²	19	41.5 Å²	41.5	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-55.3	-47.8	173.1	0	0	0	0	0	111.3	Q83 L84 E85 N119 W120	A81-Q83 VanDerWaalsContact C-N 3.32Å; A81-Q83 PolarHBondContact O-N 2.98Å; A81-L84 WeakPolarHBondContact O-CB 3.41Å; A81-L84 PolarHBondContact O-N 2.92Å; A81-E85 WeakPolarHBondContact O-CG 3.22Å; A81-E85 PolarHBondContact O-N 3.11Å; A81-N119 WeakPolarHBondContact CB-O 3Å; A81-W120 HydrophobicContact CB-CE3 4.22Å
82	D	95.4	Very high	89.9	Confident	110 Å²	110	41.5 Å²	41.5	59%	0.588	26%	0.256	S	S	*	.	H	α-helix	trans	-58.4	-40.4	178.6	-61.9	-21.4	0	0	0	113	T80 L84 E85 G86	T80-D82 VanDerWaalsContact C-N 3.33Å; T80-D82 PolarHBondContact O-N 2.84Å; D82-L84 VanDerWaalsContact C-N 3.34Å; D82-E85 PolarHBondContact O-N 3.16Å; D82-G86 PolarHBondContact O-N 2.92Å
83	Q	96.4	Very high	91	Very high	62 Å²	62	40.1 Å²	40.1	29%	0.29	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-42.3	176.4	-75.2	174.7	-33.7	0	0	111	I79 T80 A81 G86 L87 H364	I79-Q83 HydrophobicContact CG2-CB 3.9Å; T80-Q83 PolarHBondContact O-N 3.48Å; T80-Q83 VanDerWaalsContact OG1-CG 3.27Å; T80-Q83 WeakPolarHBondContact OG1-CG 3.46Å; T80-Q83 PolarHBondContact OG1-N 3.26Å; T80-Q83 PolarHBondContact OG1-OE1 3.23Å; A81-Q83 VanDerWaalsContact C-N 3.32Å; A81-Q83 PolarHBondContact O-N 2.98Å; Q83-G86 PolarHBondContact O-N 3.23Å; Q83-L87 WeakPolarHBondContact O-CG 3.43Å; Q83-L87 PolarHBondContact O-N 3.25Å; Q83-L87 VanDerWaalsContact O-N 3.13Å; Q83-H364 PolarHBondContact NE2-CE1 2.91Å; Q83-H364 PolarHBondContact NE2-NE2 3.34Å; Q83-H364 VanDerWaalsContact NE2-NE2 3.11Å; Q83-H364 PolarHBondContact OE1-CE1 3.13Å; Q83-H364 VanDerWaalsContact OE1-CE1 3.26Å
84	L	95.6	Very high	91.9	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-68.2	-40.2	179.1	-171.3	61.5	0	0	0	111.9	P69 L76 I79 T80 A81 D82 L87 C89 C92 W120 I371	P69-L84 HydrophobicContact CG-CD1 4.26Å; L76-L84 HydrophobicContact CD1-CD2 3.82Å; L76-L84 HydrophobicContact CD2-CD1 3.98Å; L76-L84 HydrophobicContact CD2-CD2 4.08Å; I79-L84 HydrophobicContact CG2-CB 4.39Å; T80-L84 PolarHBondContact O-N 2.95Å; T80-L84 VanDerWaalsContact O-N 3.09Å; A81-L84 WeakPolarHBondContact O-CB 3.41Å; A81-L84 PolarHBondContact O-N 2.92Å; D82-L84 VanDerWaalsContact C-N 3.34Å; L84-L87 PolarHBondContact O-N 2.69Å; L84-C89 HydrophobicContact CD1-CB 3.62Å; L84-C89 HydrophobicContact CD2-CB 4.45Å; L84-C89 HydrophobicContact CG-CB 3.62Å; L84-C89 WeakPolarHBondContact O-CB 3.35Å; L84-C89 PolarHBondContact O-N 2.78Å; L84-C92 HydrophobicContact CD2-CB 4.25Å; L84-W120 HydrophobicContact CB-CH2 4.42Å; L84-W120 HydrophobicContact CB-CZ3 3.93Å; L84-W120 HydrophobicContact CD2-CE3 4.46Å; L84-W120 HydrophobicContact CD2-CH2 3.81Å; L84-W120 HydrophobicContact CD2-CZ2 4.49Å; L84-W120 HydrophobicContact CD2-CZ3 3.78Å; L84-W120 HydrophobicContact CG-CH2 3.87Å; L84-W120 HydrophobicContact CG-CZ3 3.86Å; L84-I371 HydrophobicContact CD1-CG2 3.96Å
85	E	95.4	Very high	92.9	Very high	42 Å²	42	35.2 Å²	35.2	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-62.3	-42.4	171.9	-69.9	-168.8	-175.4	0	0	111.4	A81 D82 L87 G88 W120 R121	A81-E85 WeakPolarHBondContact O-CG 3.22Å; A81-E85 PolarHBondContact O-N 3.11Å; D82-E85 PolarHBondContact O-N 3.16Å; E85-L87 PolarHBondContact O-N 3.21Å; E85-G88 WeakPolarHBondContact O-CA 3.37Å; E85-G88 PolarHBondContact O-N 3.29Å; E85-W120 HydrophobicContact CB-CZ3 4.48Å; E85-W120 HydrophobicContact CG-CE3 3.95Å; E85-W120 HydrophobicContact CG-CH2 4.18Å; E85-W120 HydrophobicContact CG-CZ3 3.44Å; E85-W120 VanDerWaalsContact CG-CZ3 3.44Å; E85-R121 PolarHBondContact OE1-N 3.15Å
86	G	96.8	Very high	93.1	Very high	69 Å²	69	32.4 Å²	32.4	71%	0.711	21%	0.205	S	C	*	.	H	α-helix	trans	-63.6	-22.8	176.4	0	0	0	0	0	114.2	D82 Q83 G88	D82-G86 PolarHBondContact O-N 2.92Å; Q83-G86 PolarHBondContact O-N 3.23Å; G86-G88 VanDerWaalsContact C-N 3.27Å
87	L	97.2	Very high	93.2	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.073	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-5	170.4	-65.5	-179.4	0	0	0	113.4	Q83 L84 E85 I368 I371 A372 L375 R379	Q83-L87 WeakPolarHBondContact O-CG 3.43Å; Q83-L87 PolarHBondContact O-N 3.25Å; Q83-L87 VanDerWaalsContact O-N 3.13Å; L84-L87 PolarHBondContact O-N 2.69Å; E85-L87 PolarHBondContact O-N 3.21Å; L87-I368 HydrophobicContact CD1-CG2 4.3Å; L87-I368 HydrophobicContact CD2-CG2 4.21Å; L87-I371 HydrophobicContact CD1-CB 4.04Å; L87-I371 HydrophobicContact CD1-CG2 3.76Å; L87-A372 HydrophobicContact CD1-CB 4.45Å; L87-A372 HydrophobicContact CD2-CB 3.85Å; L87-L375 HydrophobicContact CB-CD1 3.99Å; L87-R379 PolarHBondContact O-NH2 3.36Å
88	G	96.6	Very high	93.2	Very high	32 Å²	32	28.1 Å²	28.1	33%	0.33	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	17.8	-179.2	0	0	0	0	0	114.4	E85 G86 Q90 R122	E85-G88 WeakPolarHBondContact O-CA 3.37Å; E85-G88 PolarHBondContact O-N 3.29Å; G86-G88 VanDerWaalsContact C-N 3.27Å; G88-Q90 PolarHBondContact O-N 3.08Å; G88-R122 PolarHBondContact O-NH1 3.2Å
89	C	97.3	Very high	93.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.16	C	C	.	.			trans	-62.6	123.5	176.9	-174.6	0	0	0	0	110.7	L84 I91 W120 R122 L375	L84-C89 HydrophobicContact CD1-CB 3.62Å; L84-C89 HydrophobicContact CD2-CB 4.45Å; L84-C89 HydrophobicContact CG-CB 3.62Å; L84-C89 WeakPolarHBondContact O-CB 3.35Å; L84-C89 PolarHBondContact O-N 2.78Å; C89-I91 PolarHBondContact SG-O 3.31Å; C89-W120 HydrophobicContact CB-CH2 4.11Å; C89-W120 WeakPolarHBondContact O-CH2 3.25Å; C89-R122 WeakPolarHBondContact O-CD 3.44Å; C89-R122 PolarHBondContact O-NE 3.12Å; C89-R122 PolarHBondContact O-NH1 3.31Å; C89-L375 HydrophobicContact CB-CD1 3.84Å
90	Q	97.5	Very high	92.5	Very high	54 Å²	54	26 Å²	26	25%	0.252	17%	0.166	S	C	.	.			trans	-95.2	-23.5	-175.4	-68	173.5	-51.2	0	0	113.8	S61 V62 G88 R122 N123	S61-Q90 PolarHBondContact O-NE2 2.83Å; V62-Q90 HydrophobicContact CB-CB 4.49Å; V62-Q90 HydrophobicContact CG1-CB 4.29Å; V62-Q90 HydrophobicContact CG2-CB 4.18Å; G88-Q90 PolarHBondContact O-N 3.08Å; Q90-R122 WeakPolarHBondContact O-CB 3.45Å; Q90-N123 PolarHBondContact O-N 2.84Å
91	I	98.3	Very high	91.8	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	142.9	-178.8	179.3	162.9	0	0	0	108.8	L57 V62 V66 M68 C89 N123 L125 I176 M299	L57-I91 HydrophobicContact CD1-CD1 4.13Å; V62-I91 HydrophobicContact CB-CG2 4.47Å; V62-I91 HydrophobicContact CG1-CG2 3.64Å; V62-I91 HydrophobicContact CG2-CB 4.01Å; V62-I91 HydrophobicContact CG2-CG2 3.95Å; V66-I91 HydrophobicContact CG1-CG2 4.36Å; V66-I91 HydrophobicContact CG2-CG2 3.87Å; M68-I91 HydrophobicContact CG-CB 4.44Å; M68-I91 HydrophobicContact CG-CG1 4.2Å; M68-I91 HydrophobicContact CG-CG2 3.72Å; M68-I91 HydrophobicContact SD-CD1 3.95Å; M68-I91 HydrophobicContact SD-CG1 3.93Å; M68-I91 HydrophobicContact SD-CG2 4.21Å; C89-I91 PolarHBondContact SG-O 3.31Å; I91-N123 WeakPolarHBondContact CA-O 3.38Å; I91-N123 HydrophobicContact CB-CB 4.1Å; I91-N123 HydrophobicContact CD1-CB 4.02Å; I91-N123 HydrophobicContact CG1-CB 4.05Å; I91-L125 HydrophobicContact CD1-CB 4.29Å; I91-I176 HydrophobicContact CD1-CD1 4.06Å; I91-M299 HydrophobicContact CD1-CE 4.45Å
92	C	96.8	Very high	91.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	163.2	173.1	65.5	0	0	0	0	110.8	P69 L84 N123 L124 L125	P69-C92 VanDerWaalsContact O-CB 3.31Å; P69-C92 WeakPolarHBondContact O-CB 3.3Å; L84-C92 HydrophobicContact CD2-CB 4.25Å; C92-N123 PolarHBondContact N-O 3.45Å; C92-L124 WeakPolarHBondContact O-CA 3.46Å; C92-L124 WeakPolarHBondContact SG-CD2 3.3Å; C92-L125 PolarHBondContact O-N 3.16Å
93	L	96.4	Very high	90.7	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.4	-177.4	-173.1	152.5	0	0	0	110.3	P69 V70 G71 L125 Y279 D301	P69-L93 PolarHBondContact O-N 3.37Å; V70-L93 HydrophobicContact CG1-CD2 3.89Å; V70-L93 HydrophobicContact CG2-CB 4.28Å; V70-L93 HydrophobicContact CG2-CD2 4.44Å; G71-L93 WeakPolarHBondContact CA-O 3.48Å; G71-L93 PolarHBondContact N-O 2.92Å; L93-L125 CarbonylContact C-O 3.55Å; L93-L125 VanDerWaalsContact CA-O 3.24Å; L93-L125 WeakPolarHBondContact CA-O 3.42Å; L93-L125 HydrophobicContact CD1-CD2 3.64Å; L93-L125 HydrophobicContact CG-CD2 3.91Å; L93-Y279 WeakPolarHBondContact CD1-OH 3.21Å; L93-D301 HydrophobicContact CD1-CB 3.98Å
94	G	92.9	Very high	90.1	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.6	167	0	0	0	0	0	110.9	T96 L125 T126 D127	G94-T96 PolarHBondContact O-N 3.41Å; G94-L125 PolarHBondContact N-O 3.46Å; G94-T126 VanDerWaalsContact O-CA 3.31Å; G94-T126 WeakPolarHBondContact O-CA 3.22Å; G94-D127 PolarHBondContact O-N 3.26Å
95	N	88.7	Confident	89.6	Confident	6 Å²	6	26.2 Å²	26.2	3%	0.032	16%	0.16	C	C	.	.			trans	-83.2	115.3	178.1	-177.7	-91.9	0	0	0	112	G71 Y97 H98 L99 D127 Q132	G71-N95 PolarHBondContact O-N 2.88Å; G71-N95 VanDerWaalsContact O-N 3.1Å; N95-Y97 PolarHBondContact O-N 3.44Å; N95-Y97 WeakPolarHBondContact OD1-CB 3.29Å; N95-Y97 PolarHBondContact OD1-N 3.23Å; N95-H98 PolarHBondContact OD1-CD2 2.9Å; N95-H98 PolarHBondContact OD1-N 2.86Å; N95-L99 WeakPolarHBondContact O-CB 3.26Å; N95-L99 WeakPolarHBondContact O-CD1 3.18Å; N95-L99 VanDerWaalsContact O-CG 3.3Å; N95-L99 WeakPolarHBondContact O-CG 3.2Å; N95-L99 PolarHBondContact O-N 3.3Å; N95-L99 VanDerWaalsContact O-N 3.15Å; N95-D127 PolarHBondContact ND2-OD2 3.46Å; N95-Q132 WeakPolarHBondContact ND2-CG 3.19Å; N95-Q132 PolarHBondContact ND2-NE2 3.08Å
96	T	84.9	Confident	89.4	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-37.6	-177	-69.2	0	0	0	0	112.2	G94 H98 G100 T126 D127 I168 Q169	G94-T96 PolarHBondContact O-N 3.41Å; T96-H98 PolarHBondContact O-N 3.12Å; T96-G100 WeakPolarHBondContact O-CA 3.4Å; T96-G100 PolarHBondContact O-N 2.89Å; T96-T126 WeakPolarHBondContact OG1-CB 3.37Å; T96-D127 WeakPolarHBondContact CB-O 3.41Å; T96-D127 PolarHBondContact N-OD1 2.89Å; T96-D127 PolarHBondContact OG1-O 3.05Å; T96-I168 HydrophobicContact CG2-CB 4.18Å; T96-I168 HydrophobicContact CG2-CG2 3.69Å; T96-Q169 HydrophobicContact CG2-CG 4Å
97	Y	82.3	Confident	89.1	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.016	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-53.3	-179.8	166.8	-115	0	0	0	111.8	N95 M101 Q132 M133 L136 F149 P152	N95-Y97 PolarHBondContact O-N 3.44Å; N95-Y97 WeakPolarHBondContact OD1-CB 3.29Å; N95-Y97 PolarHBondContact OD1-N 3.23Å; Y97-M101 HydrophobicContact CD2-CG 4.39Å; Y97-M101 HydrophobicContact CE2-CG 4.25Å; Y97-M101 WeakPolarHBondContact O-CB 3.45Å; Y97-M101 WeakPolarHBondContact O-CG 3.43Å; Y97-M101 PolarHBondContact O-N 3.47Å; Y97-Q132 HydrophobicContact CD1-CB 3.76Å; Y97-Q132 HydrophobicContact CE1-CB 4.47Å; Y97-Q132 HydrophobicContact CG-CB 4.08Å; Y97-M133 HydrophobicContact CD2-CE 3.44Å; Y97-M133 VanDerWaalsContact CD2-CE 3.44Å; Y97-M133 HydrophobicContact CD2-CG 3.72Å; Y97-M133 HydrophobicContact CD2-SD 4.47Å; Y97-M133 HydrophobicContact CE2-CE 4.03Å; Y97-M133 HydrophobicContact CE2-CG 3.86Å; Y97-M133 HydrophobicContact CG-CE 4.43Å; Y97-M133 HydrophobicContact CG-CG 4.44Å; Y97-L136 HydrophobicContact CE1-CD1 4.27Å; Y97-F149 AromaticContact CE2-CE2 3.78Å; Y97-F149 HydrophobicContact CE2-CE2 3.78Å; Y97-F149 HydrophobicContact CE2-CZ 4.11Å; Y97-P152 WeakPolarHBondContact OH-CD 3.47Å; Y97-P152 WeakPolarHBondContact OH-CG 3.2Å
98	H	83.1	Confident	88.8	Confident	27 Å²	27	31.5 Å²	31.5	13%	0.125	17%	0.168	C	C	.	.	H	α-helix	trans	-68.4	-44.8	-178.6	-72.3	-60	0	0	0	111.8	T72 Q73 N95 T96 M101 R102 Y153	T72-H98 WeakPolarHBondContact CG2-CD2 3.31Å; T72-H98 WeakPolarHBondContact CG2-NE2 3.42Å; T72-H98 WeakPolarHBondContact O-CB 3.42Å; Q73-H98 HydrophobicContact CG-CB 3.97Å; N95-H98 PolarHBondContact OD1-CD2 2.9Å; N95-H98 PolarHBondContact OD1-N 2.86Å; T96-H98 PolarHBondContact O-N 3.12Å; H98-M101 PolarHBondContact O-N 2.95Å; H98-R102 CarbonylContact O-C 3.48Å; H98-R102 PolarHBondContact O-N 3.2Å; H98-Y153 PolarHBondContact ND1-OH 3.08Å
99	L	84.3	Confident	88.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.5	-37.9	-178.4	-72.4	168.8	0	0	0	113.1	N95 M101 G104 I108 L114 L172	N95-L99 WeakPolarHBondContact O-CB 3.26Å; N95-L99 WeakPolarHBondContact O-CD1 3.18Å; N95-L99 VanDerWaalsContact O-CG 3.3Å; N95-L99 WeakPolarHBondContact O-CG 3.2Å; N95-L99 PolarHBondContact O-N 3.3Å; N95-L99 VanDerWaalsContact O-N 3.15Å; L99-M101 PolarHBondContact O-N 3.13Å; L99-G104 WeakPolarHBondContact O-CA 3.3Å; L99-G104 PolarHBondContact O-N 2.97Å; L99-I108 HydrophobicContact CB-CD1 4.06Å; L99-I108 HydrophobicContact CD2-CD1 4.01Å; L99-L114 HydrophobicContact CD1-CD1 3.73Å; L99-L114 HydrophobicContact CD1-CD2 3.45Å; L99-L114 VanDerWaalsContact CD1-CD2 3.45Å; L99-L114 HydrophobicContact CD1-CG 4.26Å; L99-L114 HydrophobicContact CD2-CD1 3.78Å; L99-L114 HydrophobicContact CG-CD1 4.41Å; L99-L172 HydrophobicContact CB-CD1 4.21Å; L99-L172 HydrophobicContact CB-CD2 3.97Å; L99-L172 HydrophobicContact CD1-CD1 4.19Å; L99-L172 HydrophobicContact CD1-CD2 4.38Å
100	G	79.8	Confident	88.3	Confident	15 Å²	15	44.2 Å²	44.2	16%	0.155	22%	0.216	C	C	.	.	H	α-helix	trans	-67.1	-24.1	176.4	0	0	0	0	0	113.3	T96 P105	T96-G100 WeakPolarHBondContact O-CA 3.4Å; T96-G100 PolarHBondContact O-N 2.89Å; G100-P105 VanDerWaalsContact O-CD 3.3Å; G100-P105 WeakPolarHBondContact O-CD 3.21Å
101	M	79.2	Confident	88	Confident	51 Å²	51	43 Å²	43	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-93.6	-48.1	177.4	-68.1	-64	-73.5	0	0	112.6	Y97 H98 L99 S151 Y153 I158	Y97-M101 HydrophobicContact CD2-CG 4.39Å; Y97-M101 HydrophobicContact CE2-CG 4.25Å; Y97-M101 WeakPolarHBondContact O-CB 3.45Å; Y97-M101 WeakPolarHBondContact O-CG 3.43Å; Y97-M101 PolarHBondContact O-N 3.47Å; H98-M101 PolarHBondContact O-N 2.95Å; L99-M101 PolarHBondContact O-N 3.13Å; M101-S151 VanDerWaalsContact CE-OG 3.29Å; M101-S151 WeakPolarHBondContact CE-OG 2.97Å; M101-Y153 HydrophobicContact CB-CD2 4.44Å; M101-Y153 HydrophobicContact CB-CE2 4.22Å; M101-Y153 HydrophobicContact CE-CD2 4.21Å; M101-I158 HydrophobicContact CE-CD1 3.22Å; M101-I158 HydrophobicContact SD-CD1 3.43Å; M101-I158 WeakPolarHBondContact SD-CD1 3.33Å
102	R	81.3	Confident	87.7	Confident	135 Å²	135	49.9 Å²	49.9	51%	0.509	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.2	118.7	-178.4	-69.5	-174.2	177.7	178.7	-0.8	110	H98 G104	H98-R102 CarbonylContact O-C 3.48Å; H98-R102 PolarHBondContact O-N 3.2Å; R102-G104 VanDerWaalsContact C-N 3.33Å
103	P	83.3	Confident	87.6	Confident	55 Å²	55	50.3 Å²	50.3	36%	0.357	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	cis	-78.8	-7.2	9.1	32.9	-37.9	0	0	0	115	L107 I108 F117	P103-L107 HydrophobicContact CB-CB 4.28Å; P103-L107 HydrophobicContact CB-CD2 3.66Å; P103-L107 HydrophobicContact CB-CG 4.35Å; P103-L107 HydrophobicContact CG-CD2 3.78Å; P103-I108 HydrophobicContact CG-CD1 4.03Å; P103-I108 HydrophobicContact CG-CG1 3.79Å; P103-F117 HydrophobicContact CG-CE1 4.19Å; P103-F117 HydrophobicContact CG-CE2 4.34Å; P103-F117 HydrophobicContact CG-CZ 3.87Å
104	G	84.4	Confident	87.5	Confident	10 Å²	10	50.1 Å²	50.1	10%	0.103	26%	0.256	C	S	.	.			trans	95.7	153.7	-176.9	0	0	0	0	0	112.7	L99 R102 E106 L107 I108	L99-G104 WeakPolarHBondContact O-CA 3.3Å; L99-G104 PolarHBondContact O-N 2.97Å; R102-G104 VanDerWaalsContact C-N 3.33Å; G104-E106 VanDerWaalsContact C-N 3.35Å; G104-E106 PolarHBondContact O-N 3.33Å; G104-L107 PolarHBondContact O-N 3.23Å; G104-I108 WeakPolarHBondContact O-CG1 3.32Å; G104-I108 PolarHBondContact O-N 2.77Å
105	P	86.1	Confident	87.6	Confident	26 Å²	26	50.9 Å²	50.9	17%	0.169	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-35.5	-171	24.7	-34	0	0	0	113	G100 L107 I108 E109	G100-P105 VanDerWaalsContact O-CD 3.3Å; G100-P105 WeakPolarHBondContact O-CD 3.21Å; P105-L107 VanDerWaalsContact C-N 3.32Å; P105-L107 PolarHBondContact O-N 2.89Å; P105-I108 PolarHBondContact O-N 2.94Å; P105-E109 WeakPolarHBondContact O-CB 3.16Å; P105-E109 PolarHBondContact O-N 3.33Å
106	E	89.6	Confident	87.8	Confident	150 Å²	150	52.5 Å²	52.5	70%	0.701	28%	0.277	S	S	*	.	H	α-helix	trans	-61.6	-38.3	-179.3	-64.5	179.5	-168.5	0	0	112.9	G104 K110	G104-E106 VanDerWaalsContact C-N 3.35Å; G104-E106 PolarHBondContact O-N 3.33Å; E106-K110 WeakPolarHBondContact O-CG 3.31Å; E106-K110 PolarHBondContact O-N 3.47Å
107	L	90.3	Very high	88.2	Confident	85 Å²	85	56.5 Å²	56.5	45%	0.445	29%	0.294	S	S	.	.	H	α-helix	trans	-74	-38.9	178.1	-174.5	136.7	0	0	0	111.1	P103 G104 P105 K110 A111 F117	P103-L107 HydrophobicContact CB-CB 4.28Å; P103-L107 HydrophobicContact CB-CD2 3.66Å; P103-L107 HydrophobicContact CB-CG 4.35Å; P103-L107 HydrophobicContact CG-CD2 3.78Å; G104-L107 PolarHBondContact O-N 3.23Å; P105-L107 VanDerWaalsContact C-N 3.32Å; P105-L107 PolarHBondContact O-N 2.89Å; L107-K110 PolarHBondContact O-N 2.63Å; L107-A111 PolarHBondContact O-N 2.93Å; L107-A111 VanDerWaalsContact O-N 3.14Å; L107-F117 HydrophobicContact CD2-CD2 4.01Å; L107-F117 HydrophobicContact CD2-CE2 3.48Å; L107-F117 VanDerWaalsContact CD2-CE2 3.48Å; L107-F117 HydrophobicContact CD2-CZ 4.25Å
108	I	91.3	Very high	88.7	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-41.2	178.5	-64.7	171.3	0	0	0	110.4	L99 P103 G104 P105 K110 A111 N112 G113 L114 L172	L99-I108 HydrophobicContact CB-CD1 4.06Å; L99-I108 HydrophobicContact CD2-CD1 4.01Å; P103-I108 HydrophobicContact CG-CD1 4.03Å; P103-I108 HydrophobicContact CG-CG1 3.79Å; G104-I108 WeakPolarHBondContact O-CG1 3.32Å; G104-I108 PolarHBondContact O-N 2.77Å; P105-I108 PolarHBondContact O-N 2.94Å; I108-K110 PolarHBondContact O-N 3.34Å; I108-A111 CarbonylContact O-C 3.56Å; I108-A111 WeakPolarHBondContact O-CA 3.21Å; I108-A111 WeakPolarHBondContact O-CB 3.06Å; I108-A111 PolarHBondContact O-N 3.44Å; I108-N112 PolarHBondContact O-N 3.04Å; I108-G113 WeakPolarHBondContact O-CA 3.19Å; I108-G113 PolarHBondContact O-N 2.98Å; I108-L114 HydrophobicContact CG2-CB 4.2Å; I108-L172 HydrophobicContact CB-CD2 4.32Å; I108-L172 HydrophobicContact CD1-CD2 3.35Å; I108-L172 HydrophobicContact CG1-CD2 4.39Å; I108-L172 HydrophobicContact CG2-CD2 3.87Å
109	E	90.8	Very high	89.2	Confident	119 Å²	119	60.8 Å²	60.8	56%	0.556	32%	0.318	S	S	*	.	H	α-helix	trans	-62.2	-43.2	176.6	-170.4	170.8	-176.2	0	0	111.5	P105 A111 N112	P105-E109 WeakPolarHBondContact O-CB 3.16Å; P105-E109 PolarHBondContact O-N 3.33Å; E109-A111 PolarHBondContact O-N 3.43Å; E109-N112 PolarHBondContact O-N 3.45Å
110	K	92.8	Very high	89.7	Confident	180 Å²	180	61 Å²	61	78%	0.783	32%	0.318	S	S	*	.	H	α-helix	trans	-62.2	-23.2	172.6	-73.5	174.7	-177	173.7	0	113.7	E106 L107 I108 N112	E106-K110 WeakPolarHBondContact O-CG 3.31Å; E106-K110 PolarHBondContact O-N 3.47Å; L107-K110 PolarHBondContact O-N 2.63Å; I108-K110 PolarHBondContact O-N 3.34Å; K110-N112 VanDerWaalsContact C-N 3.28Å
111	A	91.8	Very high	90.4	Very high	29 Å²	29	68.6 Å²	68.6	24%	0.24	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	16.4	175.3	0	0	0	0	0	113.1	L107 I108 E109 G116 F117	L107-A111 PolarHBondContact O-N 2.93Å; L107-A111 VanDerWaalsContact O-N 3.14Å; I108-A111 CarbonylContact O-C 3.56Å; I108-A111 WeakPolarHBondContact O-CA 3.21Å; I108-A111 WeakPolarHBondContact O-CB 3.06Å; I108-A111 PolarHBondContact O-N 3.44Å; E109-A111 PolarHBondContact O-N 3.43Å; A111-G116 CarbonylContact O-C 3.59Å; A111-G116 WeakPolarHBondContact O-CA 3.49Å; A111-F117 HydrophobicContact CB-CB 3.93Å; A111-F117 HydrophobicContact CB-CD2 3.86Å; A111-F117 HydrophobicContact CB-CG 4.4Å; A111-F117 PolarHBondContact O-N 2.82Å
112	N	92.1	Very high	91.2	Very high	146 Å²	146	69.3 Å²	69.3	78%	0.781	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	44.1	-175.2	-53.2	-52.6	0	0	0	113.1	I108 E109 K110	I108-N112 PolarHBondContact O-N 3.04Å; E109-N112 PolarHBondContact O-N 3.45Å; K110-N112 VanDerWaalsContact C-N 3.28Å
113	G	93.4	Very high	92	Very high	10 Å²	10	62.9 Å²	62.9	10%	0.103	32%	0.318	C	S	.	.	H	α-helix	trans	78	-177	-179.8	0	0	0	0	0	113	I108 H115 G116 F117	I108-G113 WeakPolarHBondContact O-CA 3.19Å; I108-G113 PolarHBondContact O-N 2.98Å; G113-H115 VanDerWaalsContact C-N 3.34Å; G113-H115 PolarHBondContact O-N 3.37Å; G113-G116 PolarHBondContact O-N 2.99Å; G113-F117 WeakPolarHBondContact O-CB 3.45Å; G113-F117 PolarHBondContact O-N 2.8Å
114	L	94.6	Very high	92.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.6	-35.6	-175.5	-174.5	59.6	0	0	0	112	L99 I108 F117 M118 L124 T126 L172	L99-L114 HydrophobicContact CD1-CD1 3.73Å; L99-L114 HydrophobicContact CD1-CD2 3.45Å; L99-L114 VanDerWaalsContact CD1-CD2 3.45Å; L99-L114 HydrophobicContact CD1-CG 4.26Å; L99-L114 HydrophobicContact CD2-CD1 3.78Å; L99-L114 HydrophobicContact CG-CD1 4.41Å; I108-L114 HydrophobicContact CG2-CB 4.2Å; L114-F117 HydrophobicContact CD1-CD1 4.48Å; L114-F117 PolarHBondContact O-N 3.35Å; L114-M118 HydrophobicContact CD1-CG 3.82Å; L114-M118 HydrophobicContact CD1-SD 3.69Å; L114-M118 HydrophobicContact CD2-SD 4.35Å; L114-M118 HydrophobicContact CG-CG 4.23Å; L114-M118 HydrophobicContact CG-SD 3.76Å; L114-M118 WeakPolarHBondContact O-CB 3.33Å; L114-M118 VanDerWaalsContact O-CG 3.27Å; L114-M118 WeakPolarHBondContact O-CG 3.17Å; L114-M118 PolarHBondContact O-N 3.35Å; L114-L124 HydrophobicContact CB-CD1 4Å; L114-L124 HydrophobicContact CD2-CD1 3.82Å; L114-L124 HydrophobicContact CG-CD1 3.79Å; L114-T126 HydrophobicContact CD2-CG2 4.46Å; L114-L172 HydrophobicContact CB-CB 4.35Å; L114-L172 WeakPolarHBondContact CB-O 3.47Å; L114-L172 PolarHBondContact N-O 3.03Å
115	H	95	Very high	93.3	Very high	18 Å²	18	59.9 Å²	59.9	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-56.4	-50.4	173.2	-63.6	77.5	0	0	0	111.7	H59 G113 M118 N119 W120 R122 G173 D175	H59-H115 AromaticContact CD2-CD2 3.68Å; H59-H115 AromaticContact CD2-NE2 3.91Å; H59-H115 AromaticContact CE1-CD2 3.67Å; H59-H115 AromaticContact CE1-CE1 3.46Å; H59-H115 PolarHBondContact CE1-CE1 2.96Å; H59-H115 VanDerWaalsContact CE1-CE1 3.46Å; H59-H115 AromaticContact CE1-ND1 3.93Å; H59-H115 AromaticContact CE1-NE2 3.31Å; H59-H115 PolarHBondContact CE1-NE2 2.89Å; H59-H115 VanDerWaalsContact CE1-NE2 3.31Å; H59-H115 AromaticContact CG-CD2 3.89Å; H59-H115 AromaticContact CG-NE2 3.68Å; H59-H115 AromaticContact ND1-CD2 3.88Å; H59-H115 AromaticContact ND1-CE1 3.8Å; H59-H115 AromaticContact ND1-NE2 3.3Å; H59-H115 PolarHBondContact ND1-NE2 3.48Å; H59-H115 AromaticContact NE2-CD2 3.55Å; H59-H115 AromaticContact NE2-CG 3.84Å; H59-H115 AromaticContact NE2-NE2 3.7Å; G113-H115 VanDerWaalsContact C-N 3.34Å; G113-H115 PolarHBondContact O-N 3.37Å; H115-M118 PolarHBondContact O-N 2.86Å; H115-N119 CarbonylContact O-C 3.47Å; H115-N119 VanDerWaalsContact O-CA 3.3Å; H115-N119 WeakPolarHBondContact O-CA 3.36Å; H115-N119 PolarHBondContact O-N 2.92Å; H115-W120 WeakPolarHBondContact CB-O 3.47Å; H115-W120 PolarHBondContact CD2-O 2.71Å; H115-W120 PolarHBondContact O-N 2.83Å; H115-R122 PolarHBondContact CD2-O 3.24Å; H115-R122 PolarHBondContact NE2-O 3.42Å; H115-R122 VanDerWaalsContact NE2-O 3.17Å; H115-G173 PolarHBondContact CE1-O 3.08Å; H115-G173 PolarHBondContact ND1-O 3.05Å; H115-D175 IonicContact CE1-OD2 2.67Å; H115-D175 PolarHBondContact CE1-OD2 2.89Å; H115-D175 IonicContact NE2-OD2 3.56Å; H115-D175 PolarHBondContact NE2-OD2 2.81Å
116	G	93.9	Very high	93.8	Very high	41 Å²	41	58.6 Å²	58.6	42%	0.423	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-42.6	177.9	0	0	0	0	0	112.6	A111 G113 M118 N119	A111-G116 CarbonylContact O-C 3.59Å; A111-G116 WeakPolarHBondContact O-CA 3.49Å; G113-G116 PolarHBondContact O-N 2.99Å; G116-M118 VanDerWaalsContact C-N 3.34Å; G116-M118 PolarHBondContact O-N 3.12Å; G116-N119 PolarHBondContact O-N 2.64Å
117	F	93.5	Very high	94.1	Very high	85 Å²	85	52 Å²	52	37%	0.373	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-39.3	178	-173.5	-105.2	0	0	0	113.3	P103 L107 A111 G113 L114	P103-F117 HydrophobicContact CG-CE1 4.19Å; P103-F117 HydrophobicContact CG-CE2 4.34Å; P103-F117 HydrophobicContact CG-CZ 3.87Å; L107-F117 HydrophobicContact CD2-CD2 4.01Å; L107-F117 HydrophobicContact CD2-CE2 3.48Å; L107-F117 VanDerWaalsContact CD2-CE2 3.48Å; L107-F117 HydrophobicContact CD2-CZ 4.25Å; A111-F117 HydrophobicContact CB-CB 3.93Å; A111-F117 HydrophobicContact CB-CD2 3.86Å; A111-F117 HydrophobicContact CB-CG 4.4Å; A111-F117 PolarHBondContact O-N 2.82Å; G113-F117 WeakPolarHBondContact O-CB 3.45Å; G113-F117 PolarHBondContact O-N 2.8Å; L114-F117 HydrophobicContact CD1-CD1 4.48Å; L114-F117 PolarHBondContact O-N 3.35Å
118	M	92.4	Very high	94.1	Very high	36 Å²	36	48.3 Å²	48.3	18%	0.177	24%	0.239	C	C	.	.	H	α-helix	trans	-89.4	-10.2	179.6	-61.8	-176	47.4	0	0	113.8	G74 L114 H115 G116 W120	G74-M118 VanDerWaalsContact C-CE 3.5Å; G74-M118 WeakPolarHBondContact CA-SD 3.25Å; G74-M118 VanDerWaalsContact O-CE 3.23Å; G74-M118 WeakPolarHBondContact O-CE 3.48Å; G74-M118 WeakPolarHBondContact O-CG 3.17Å; G74-M118 VanDerWaalsContact O-SD 3.4Å; L114-M118 HydrophobicContact CD1-CG 3.82Å; L114-M118 HydrophobicContact CD1-SD 3.69Å; L114-M118 HydrophobicContact CD2-SD 4.35Å; L114-M118 HydrophobicContact CG-CG 4.23Å; L114-M118 HydrophobicContact CG-SD 3.76Å; L114-M118 WeakPolarHBondContact O-CB 3.33Å; L114-M118 VanDerWaalsContact O-CG 3.27Å; L114-M118 WeakPolarHBondContact O-CG 3.17Å; L114-M118 PolarHBondContact O-N 3.35Å; H115-M118 PolarHBondContact O-N 2.86Å; G116-M118 VanDerWaalsContact C-N 3.34Å; G116-M118 PolarHBondContact O-N 3.12Å; M118-W120 HydrophobicContact CB-CB 4.06Å; M118-W120 PolarHBondContact O-N 3.39Å
119	N	93.2	Very high	93.7	Very high	86 Å²	86	48.3 Å²	48.3	46%	0.46	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	45.7	-162.7	-174	46	0	0	0	112	A81 H115 G116	A81-N119 WeakPolarHBondContact CB-O 3Å; H115-N119 CarbonylContact O-C 3.47Å; H115-N119 VanDerWaalsContact O-CA 3.3Å; H115-N119 WeakPolarHBondContact O-CA 3.36Å; H115-N119 PolarHBondContact O-N 2.92Å; G116-N119 PolarHBondContact O-N 2.64Å
120	W	94.9	Very high	93.1	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.019	21%	0.213	C	C	.	.			trans	-102.7	121	177.3	176.8	-107.6	0	0	0	110.1	A81 L84 E85 C89 H115 M118 R122 N123 L124	A81-W120 HydrophobicContact CB-CE3 4.22Å; L84-W120 HydrophobicContact CB-CH2 4.42Å; L84-W120 HydrophobicContact CB-CZ3 3.93Å; L84-W120 HydrophobicContact CD2-CE3 4.46Å; L84-W120 HydrophobicContact CD2-CH2 3.81Å; L84-W120 HydrophobicContact CD2-CZ2 4.49Å; L84-W120 HydrophobicContact CD2-CZ3 3.78Å; L84-W120 HydrophobicContact CG-CH2 3.87Å; L84-W120 HydrophobicContact CG-CZ3 3.86Å; E85-W120 HydrophobicContact CB-CZ3 4.48Å; E85-W120 HydrophobicContact CG-CE3 3.95Å; E85-W120 HydrophobicContact CG-CH2 4.18Å; E85-W120 HydrophobicContact CG-CZ3 3.44Å; E85-W120 VanDerWaalsContact CG-CZ3 3.44Å; C89-W120 HydrophobicContact CB-CH2 4.11Å; C89-W120 WeakPolarHBondContact O-CH2 3.25Å; H115-W120 WeakPolarHBondContact CB-O 3.47Å; H115-W120 PolarHBondContact CD2-O 2.71Å; H115-W120 PolarHBondContact O-N 2.83Å; M118-W120 HydrophobicContact CB-CB 4.06Å; M118-W120 PolarHBondContact O-N 3.39Å; W120-R122 HydrophobicContact CH2-CB 4.32Å; W120-R122 HydrophobicContact CH2-CG 4.4Å; W120-R122 HydrophobicContact CZ2-CB 3.61Å; W120-R122 HydrophobicContact CZ2-CG 4.17Å; W120-R122 VanDerWaalsContact NE1-C 3.26Å; W120-R122 PolarHBondContact NE1-O 3.33Å; W120-N123 PolarHBondContact NE1-O 2.72Å; W120-L124 VanDerWaalsContact CD1-CD2 3.48Å; W120-L124 HydrophobicContact CG-CD2 4.33Å
121	R	94.3	Very high	92.2	Very high	174 Å²	174	39.1 Å²	39.1	66%	0.657	20%	0.198	S	C	*	.			trans	-97.1	-2.2	-170.9	-61.8	176.9	179.7	175.8	0.1	114.5	E85	E85-R121 PolarHBondContact OE1-N 3.15Å
122	R	96.1	Very high	91.1	Very high	66 Å²	66	39.4 Å²	39.4	25%	0.249	19%	0.194	C	C	.	.	S	Bend	trans	-110	-171.9	-177.2	-50.1	-179	174.8	-151.4	-3.6	110.2	G88 C89 Q90 H115 W120	G88-R122 PolarHBondContact O-NH1 3.2Å; C89-R122 WeakPolarHBondContact O-CD 3.44Å; C89-R122 PolarHBondContact O-NE 3.12Å; C89-R122 PolarHBondContact O-NH1 3.31Å; Q90-R122 WeakPolarHBondContact O-CB 3.45Å; H115-R122 PolarHBondContact CD2-O 3.24Å; H115-R122 PolarHBondContact NE2-O 3.42Å; H115-R122 VanDerWaalsContact NE2-O 3.17Å; W120-R122 HydrophobicContact CH2-CB 4.32Å; W120-R122 HydrophobicContact CH2-CG 4.4Å; W120-R122 HydrophobicContact CZ2-CB 3.61Å; W120-R122 HydrophobicContact CZ2-CG 4.17Å; W120-R122 VanDerWaalsContact NE1-C 3.26Å; W120-R122 PolarHBondContact NE1-O 3.33Å
123	N	97.8	Very high	89.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	153.7	-171.8	-53.5	-65.6	0	0	0	112.7	L57 H59 S60 V62 Q90 I91 C92 W120 D175	L57-N123 WeakPolarHBondContact CB-OD1 3.27Å; L57-N123 HydrophobicContact CD1-CB 3.89Å; H59-N123 WeakPolarHBondContact CB-OD1 3.42Å; H59-N123 PolarHBondContact N-OD1 3.31Å; S60-N123 PolarHBondContact N-OD1 3.12Å; S60-N123 PolarHBondContact O-ND2 3.36Å; S60-N123 PolarHBondContact O-OD1 2.85Å; S60-N123 PolarHBondContact OG-ND2 3.24Å; V62-N123 HydrophobicContact CG2-CB 4.5Å; V62-N123 VanDerWaalsContact CG2-ND2 3.26Å; V62-N123 WeakPolarHBondContact CG2-ND2 3.29Å; Q90-N123 PolarHBondContact O-N 2.84Å; I91-N123 WeakPolarHBondContact CA-O 3.38Å; I91-N123 HydrophobicContact CB-CB 4.1Å; I91-N123 HydrophobicContact CD1-CB 4.02Å; I91-N123 HydrophobicContact CG1-CB 4.05Å; C92-N123 PolarHBondContact N-O 3.45Å; W120-N123 PolarHBondContact NE1-O 2.72Å; N123-D175 WeakPolarHBondContact CA-OD2 3.5Å; N123-D175 HydrophobicContact CB-CB 4.18Å; N123-D175 PolarHBondContact OD1-OD1 3.43Å
124	L	97.6	Very high	88.2	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.5	172	-67.9	174.9	0	0	0	110.7	C92 L114 W120 D175 I176	C92-L124 WeakPolarHBondContact O-CA 3.46Å; C92-L124 WeakPolarHBondContact SG-CD2 3.3Å; L114-L124 HydrophobicContact CB-CD1 4Å; L114-L124 HydrophobicContact CD2-CD1 3.82Å; L114-L124 HydrophobicContact CG-CD1 3.79Å; W120-L124 VanDerWaalsContact CD1-CD2 3.48Å; W120-L124 HydrophobicContact CG-CD2 4.33Å; L124-D175 PolarHBondContact N-OD2 3.46Å; L124-D175 PolarHBondContact O-N 3.15Å; L124-I176 PolarHBondContact O-N 3.26Å; L124-I176 VanDerWaalsContact O-N 3.1Å
125	L	98.1	Very high	86.6	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.9	160.8	-174.4	148.8	0	0	0	108.6	M68 I91 C92 L93 G94 I176 M178 Y279 M299	M68-L125 HydrophobicContact CE-CD1 4.1Å; M68-L125 HydrophobicContact SD-CB 4.12Å; M68-L125 HydrophobicContact SD-CD1 4.04Å; I91-L125 HydrophobicContact CD1-CB 4.29Å; C92-L125 PolarHBondContact O-N 3.16Å; L93-L125 CarbonylContact C-O 3.55Å; L93-L125 VanDerWaalsContact CA-O 3.24Å; L93-L125 WeakPolarHBondContact CA-O 3.42Å; L93-L125 HydrophobicContact CD1-CD2 3.64Å; L93-L125 HydrophobicContact CG-CD2 3.91Å; G94-L125 PolarHBondContact N-O 3.46Å; L125-I176 CarbonylContact C-O 3.51Å; L125-I176 VanDerWaalsContact CA-O 3.31Å; L125-I176 WeakPolarHBondContact CA-O 3.4Å; L125-I176 HydrophobicContact CB-CB 4.21Å; L125-I176 HydrophobicContact CD1-CB 4Å; L125-I176 HydrophobicContact CD1-CD1 4.39Å; L125-I176 HydrophobicContact CD1-CG2 3.61Å; L125-I176 HydrophobicContact CG-CB 3.98Å; L125-I176 HydrophobicContact CG-CG2 3.89Å; L125-M178 HydrophobicContact CD1-SD 4.19Å; L125-M178 HydrophobicContact CD2-CG 3.98Å; L125-M178 HydrophobicContact CD2-SD 4.24Å; L125-M178 HydrophobicContact CG-SD 4.46Å; L125-Y279 HydrophobicContact CD1-CD1 3.95Å; L125-Y279 HydrophobicContact CD1-CE1 3.71Å; L125-Y279 HydrophobicContact CD2-CE1 4.08Å; L125-M299 HydrophobicContact CD1-CE 4.25Å
126	T	97	Very high	84.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.8	169.4	48.8	0	0	0	0	111.4	G94 T96 L114 Q169 L172 S174 I176 M178	G94-T126 VanDerWaalsContact O-CA 3.31Å; G94-T126 WeakPolarHBondContact O-CA 3.22Å; T96-T126 WeakPolarHBondContact OG1-CB 3.37Å; L114-T126 HydrophobicContact CD2-CG2 4.46Å; T126-Q169 PolarHBondContact O-OE1 3.21Å; T126-Q169 WeakPolarHBondContact OG1-CG 3.27Å; T126-Q169 PolarHBondContact OG1-OE1 3.44Å; T126-L172 HydrophobicContact CG2-CB 4.48Å; T126-L172 HydrophobicContact CG2-CD1 3.85Å; T126-S174 WeakPolarHBondContact OG1-CB 3.43Å; T126-S174 PolarHBondContact OG1-OG 3.17Å; T126-I176 PolarHBondContact N-O 2.8Å; T126-M178 VanDerWaalsContact O-CG 3.28Å; T126-M178 WeakPolarHBondContact O-CG 3.43Å; T126-M178 PolarHBondContact O-N 3.34Å; T126-M178 VanDerWaalsContact O-N 3.08Å
127	D	94.6	Very high	83.3	Confident	12 Å²	12	41 Å²	41	6%	0.064	20%	0.198	C	C	.	.			trans	-70.6	173.1	170	64.2	22.5	0	0	0	111.5	G94 N95 T96 G129 Q132 Q169	G94-D127 PolarHBondContact O-N 3.26Å; N95-D127 PolarHBondContact ND2-OD2 3.46Å; T96-D127 WeakPolarHBondContact CB-O 3.41Å; T96-D127 PolarHBondContact N-OD1 2.89Å; T96-D127 PolarHBondContact OG1-O 3.05Å; D127-G129 VanDerWaalsContact C-N 3.31Å; D127-G129 PolarHBondContact OD1-N 3.47Å; D127-Q132 PolarHBondContact OD2-NE2 3.37Å; D127-Q169 PolarHBondContact O-OE1 3.13Å
128	S	90.8	Very high	81.6	Confident	6 Å²	6	46.7 Å²	46.7	4%	0.042	23%	0.226	C	C	.	.			trans	-79.6	-16.7	-179.8	66.1	0	0	0	0	113.7	G130 S165 Q179	S128-G130 VanDerWaalsContact C-N 3.3Å; S128-G130 PolarHBondContact OG-N 3.48Å; S128-S165 PolarHBondContact O-OG 2.75Å; S128-Q179 WeakPolarHBondContact CB-O 3.32Å; S128-Q179 PolarHBondContact OG-O 3.13Å
129	G	83.9	Confident	80.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	82.9	-10.1	-170.3	0	0	0	0	0	115.3	D127 M133	D127-G129 VanDerWaalsContact C-N 3.31Å; D127-G129 PolarHBondContact OD1-N 3.47Å; G129-M133 VanDerWaalsContact O-CG 3.31Å; G129-M133 WeakPolarHBondContact O-CG 3.33Å; G129-M133 PolarHBondContact O-N 2.7Å
130	G	77.2	Confident	79.5	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-44.8	-175.2	0	0	0	0	0	113.9	S128 Q132 M133 V134	S128-G130 VanDerWaalsContact C-N 3.3Å; S128-G130 PolarHBondContact OG-N 3.48Å; G130-Q132 PolarHBondContact O-N 3.5Å; G130-M133 WeakPolarHBondContact O-CB 3.45Å; G130-M133 PolarHBondContact O-N 2.98Å; G130-M133 VanDerWaalsContact O-N 3.15Å; G130-V134 PolarHBondContact O-N 3.18Å; G130-V134 VanDerWaalsContact O-N 3.11Å
131	F	74.7	Confident	79.2	Confident	106 Å²	106	54 Å²	54	47%	0.465	27%	0.265	S	S	.	.	H	α-helix	trans	-58.9	-43.5	-178.7	178.4	-100.4	0	0	0	112.9	M133 V134 S135 V183	F131-M133 VanDerWaalsContact C-N 3.28Å; F131-M133 PolarHBondContact O-N 3.32Å; F131-V134 PolarHBondContact O-N 2.97Å; F131-S135 VanDerWaalsContact O-CB 3.3Å; F131-S135 WeakPolarHBondContact O-CB 3.21Å; F131-S135 PolarHBondContact O-N 3.19Å; F131-S135 PolarHBondContact O-OG 2.87Å; F131-V183 HydrophobicContact CD2-CG1 3.98Å
132	Q	68.5	Low	79.1	Confident	34 Å²	34	47.3 Å²	47.3	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-69	-30.5	-178.9	-67.2	79.9	4.7	0	0	111.4	N95 Y97 D127 G130 L136	N95-Q132 WeakPolarHBondContact ND2-CG 3.19Å; N95-Q132 PolarHBondContact ND2-NE2 3.08Å; Y97-Q132 HydrophobicContact CD1-CB 3.76Å; Y97-Q132 HydrophobicContact CE1-CB 4.47Å; Y97-Q132 HydrophobicContact CG-CB 4.08Å; D127-Q132 PolarHBondContact OD2-NE2 3.37Å; G130-Q132 PolarHBondContact O-N 3.5Å; Q132-L136 HydrophobicContact CB-CD1 4.09Å; Q132-L136 WeakPolarHBondContact O-CB 3.36Å; Q132-L136 WeakPolarHBondContact O-CD1 3.44Å; Q132-L136 WeakPolarHBondContact O-CG 3.34Å; Q132-L136 PolarHBondContact O-N 2.97Å
133	M	64.5	Low	79	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.039	24%	0.241	C	C	.	.	H	α-helix	trans	-69.6	-44.1	175.5	-66	169.4	179.2	0	0	111.5	Y97 G129 G130 F131 V137 V147 F149 L160	Y97-M133 HydrophobicContact CD2-CE 3.44Å; Y97-M133 VanDerWaalsContact CD2-CE 3.44Å; Y97-M133 HydrophobicContact CD2-CG 3.72Å; Y97-M133 HydrophobicContact CD2-SD 4.47Å; Y97-M133 HydrophobicContact CE2-CE 4.03Å; Y97-M133 HydrophobicContact CE2-CG 3.86Å; Y97-M133 HydrophobicContact CG-CE 4.43Å; Y97-M133 HydrophobicContact CG-CG 4.44Å; G129-M133 VanDerWaalsContact O-CG 3.31Å; G129-M133 WeakPolarHBondContact O-CG 3.33Å; G129-M133 PolarHBondContact O-N 2.7Å; G130-M133 WeakPolarHBondContact O-CB 3.45Å; G130-M133 PolarHBondContact O-N 2.98Å; G130-M133 VanDerWaalsContact O-N 3.15Å; F131-M133 VanDerWaalsContact C-N 3.28Å; F131-M133 PolarHBondContact O-N 3.32Å; M133-V137 WeakPolarHBondContact O-CB 3.37Å; M133-V137 WeakPolarHBondContact O-CG2 3.3Å; M133-V137 PolarHBondContact O-N 2.82Å; M133-V147 HydrophobicContact CB-CG1 4.44Å; M133-F149 HydrophobicContact CB-CD1 4.17Å; M133-F149 HydrophobicContact CB-CG 4.25Å; M133-F149 HydrophobicContact CE-CD1 4.36Å; M133-F149 HydrophobicContact CE-CE1 3.37Å; M133-F149 HydrophobicContact CE-CE2 4.3Å; M133-F149 HydrophobicContact CE-CZ 3.32Å; M133-F149 HydrophobicContact CG-CD1 3.94Å; M133-F149 HydrophobicContact CG-CD2 4.31Å; M133-F149 HydrophobicContact CG-CE1 3.81Å; M133-F149 HydrophobicContact CG-CE2 4.17Å; M133-F149 HydrophobicContact CG-CG 4.21Å; M133-F149 HydrophobicContact CG-CZ 3.93Å; M133-F149 HydrophobicContact SD-CD1 3.6Å; M133-F149 VanDerWaalsContact SD-CD1 3.6Å; M133-F149 HydrophobicContact SD-CE1 3.15Å; M133-F149 WeakPolarHBondContact SD-CE1 3.4Å; M133-F149 HydrophobicContact SD-CE2 4.48Å; M133-F149 HydrophobicContact SD-CG 4.44Å; M133-F149 HydrophobicContact SD-CZ 3.67Å; M133-L160 HydrophobicContact CE-CB 3.87Å; M133-L160 HydrophobicContact CE-CD1 4.18Å; M133-L160 HydrophobicContact CE-CD2 3.46Å; M133-L160 VanDerWaalsContact CE-CD2 3.46Å; M133-L160 HydrophobicContact CE-CG 4.01Å; M133-L160 HydrophobicContact SD-CB 3.68Å; M133-L160 HydrophobicContact SD-CD2 3.42Å; M133-L160 WeakPolarHBondContact SD-CD2 3.45Å; M133-L160 HydrophobicContact SD-CG 4.11Å
134	V	59.3	Low	79	Confident	51 Å²	51	49.2 Å²	49.2	31%	0.309	26%	0.257	S	S	.	.	H	α-helix	trans	-72.4	-35.9	179.4	-179.3	0	0	0	0	111.8	G130 F131 V147	G130-V134 PolarHBondContact O-N 3.18Å; G130-V134 VanDerWaalsContact O-N 3.11Å; F131-V134 PolarHBondContact O-N 2.97Å; V134-V147 HydrophobicContact CG2-CG1 4.4Å
135	S	60.9	Low	78.9	Confident	69 Å²	69	54 Å²	54	48%	0.483	28%	0.28	S	S	.	.	H	α-helix	trans	-85.5	-20.8	-176.8	59.6	0	0	0	0	115.2	F131	F131-S135 VanDerWaalsContact O-CB 3.3Å; F131-S135 WeakPolarHBondContact O-CB 3.21Å; F131-S135 PolarHBondContact O-N 3.19Å; F131-S135 PolarHBondContact O-OG 2.87Å
136	L	59.7	Low	78.8	Confident	105 Å²	105	54 Å²	54	55%	0.55	28%	0.28	S	S	.	.	H	α-helix	trans	-107	-11.2	-177.4	-59.3	172.6	0	0	0	114.1	Y97 Q132	Y97-L136 HydrophobicContact CE1-CD1 4.27Å; Q132-L136 HydrophobicContact CB-CD1 4.09Å; Q132-L136 WeakPolarHBondContact O-CB 3.36Å; Q132-L136 WeakPolarHBondContact O-CD1 3.44Å; Q132-L136 WeakPolarHBondContact O-CG 3.34Å; Q132-L136 PolarHBondContact O-N 2.97Å
137	V	59.4	Low	78.6	Confident	17 Å²	17	54.1 Å²	54.1	10%	0.103	28%	0.28	C	S	.	.			trans	-122.4	107.6	-174.9	-168.6	0	0	0	0	109.7	M133 L139 F149	M133-V137 WeakPolarHBondContact O-CB 3.37Å; M133-V137 WeakPolarHBondContact O-CG2 3.3Å; M133-V137 PolarHBondContact O-N 2.82Å; V137-L139 HydrophobicContact CG1-CB 4.46Å; V137-L139 PolarHBondContact O-N 3.47Å; V137-F149 HydrophobicContact CB-CB 4.48Å; V137-F149 HydrophobicContact CG1-CB 4.28Å; V137-F149 HydrophobicContact CG2-CD2 4.31Å
138	E	58.5	Low	78.3	Confident	203 Å²	203	56.3 Å²	56.3	95%	0.949	29%	0.289	S	S	*	.	S	Bend	trans	-55.2	-19.2	175.5	-72.1	-178.6	159.8	0	0	113.5
139	L	62.2	Low	78.1	Confident	119 Å²	119	56.2 Å²	56.2	62%	0.623	29%	0.288	S	S	*	.	S	Bend	trans	-116.7	67	-179	-67.7	163.3	0	0	0	110.3	V137	V137-L139 HydrophobicContact CG1-CB 4.46Å; V137-L139 PolarHBondContact O-N 3.47Å
140	S	80.1	Confident	78.1	Confident	42 Å²	42	61.1 Å²	61.1	29%	0.294	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.7	168.3	58.2	0	0	0	0	111	K148	S140-K148 CarbonylContact C-O 3.57Å; S140-K148 VanDerWaalsContact CA-O 3.3Å; S140-K148 WeakPolarHBondContact CA-O 3.39Å
141	E	88.3	Confident	78.2	Confident	119 Å²	119	61.2 Å²	61.2	56%	0.556	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.6	175.3	-175	-172.1	177.8	0	0	108.5	T143 K148	E141-T143 HydrophobicContact CG-CG2 4.13Å; E141-K148 HydrophobicContact CB-CB 4.44Å; E141-K148 PolarHBondContact N-O 3.22Å; E141-K148 PolarHBondContact O-N 2.81Å
142	V	91.6	Very high	78.1	Confident	34 Å²	34	60.1 Å²	60.1	21%	0.206	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.7	176.4	-172.3	0	0	0	0	109.2	V147 D182 W203	V142-V147 HydrophobicContact CG1-CG2 4.47Å; V142-V147 HydrophobicContact CG2-CG1 4.38Å; V142-V147 HydrophobicContact CG2-CG2 4.24Å; V142-D182 HydrophobicContact CG1-CB 4.45Å; V142-W203 HydrophobicContact CG1-CH2 3.9Å; V142-W203 HydrophobicContact CG1-CZ2 4.41Å
143	T	94.4	Very high	78.5	Confident	33 Å²	33	62 Å²	62	20%	0.202	32%	0.32	C	S	.	.			trans	-126.6	177.7	176.1	65.9	0	0	0	0	109.2	E141 E145 G146 W203	E141-T143 HydrophobicContact CG-CG2 4.13Å; T143-E145 PolarHBondContact O-N 3.44Å; T143-E145 PolarHBondContact OG1-N 2.77Å; T143-G146 PolarHBondContact N-O 2.94Å; T143-G146 PolarHBondContact O-N 3.3Å; T143-G146 PolarHBondContact OG1-O 3.29Å; T143-W203 VanDerWaalsContact O-CZ2 3.28Å; T143-W203 WeakPolarHBondContact O-CZ2 3.46Å
144	E	97.3	Very high	79.4	Confident	74 Å²	74	65.6 Å²	65.6	35%	0.346	34%	0.339	S	S	.	.	S	Bend	trans	-62.3	-29.4	174	-169.3	60.4	-161.6	0	0	112.6	R199 R202 W203 R206	E144-R199 IonicContact OE2-NE 3.68Å; E144-R199 PolarHBondContact OE2-NE 3.39Å; E144-R202 IonicContact OE1-CZ 2.65Å; E144-R202 IonicContact OE1-NE 2.76Å; E144-R202 PolarHBondContact OE1-NE 3.42Å; E144-R202 IonicContact OE1-NH2 2.96Å; E144-R202 IonicContact OE2-CZ 2.77Å; E144-R202 IonicContact OE2-NE 3.18Å; E144-R202 IonicContact OE2-NH2 3.86Å; E144-R202 PolarHBondContact OE2-NH2 3.33Å; E144-W203 PolarHBondContact O-NE1 2.94Å; E144-R206 PolarHBondContact O-NH1 3.37Å
145	E	96.9	Very high	80.4	Confident	102 Å²	102	65.5 Å²	65.5	48%	0.477	35%	0.348	S	S	.	.	S	Bend	trans	-65.9	-39.7	-178.7	-166.7	-177.7	-172.1	0	0	112.1	T143 K148 L159 S161 R206	T143-E145 PolarHBondContact O-N 3.44Å; T143-E145 PolarHBondContact OG1-N 2.77Å; E145-K148 IonicContact OE2-NZ 3.05Å; E145-L159 HydrophobicContact CG-CD1 4.3Å; E145-L159 HydrophobicContact CG-CD2 3.77Å; E145-L159 WeakPolarHBondContact OE1-CD2 3.32Å; E145-S161 VanDerWaalsContact O-CB 3.29Å; E145-S161 WeakPolarHBondContact O-CB 3.49Å; E145-R206 PolarHBondContact O-NH1 3Å; E145-R206 PolarHBondContact O-NH2 3.37Å
146	G	94.5	Very high	81.6	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.353	C	S	.	.			trans	160.5	-164.4	-174.3	0	0	0	0	0	112.2	T143 L160	T143-G146 PolarHBondContact N-O 2.94Å; T143-G146 PolarHBondContact O-N 3.3Å; T143-G146 PolarHBondContact OG1-O 3.29Å; G146-L160 VanDerWaalsContact CA-O 3.31Å; G146-L160 WeakPolarHBondContact CA-O 3.45Å
147	V	92.5	Very high	82.9	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.4	175.5	-174.3	0	0	0	0	109.3	M133 V134 V142 L160 W203	M133-V147 HydrophobicContact CB-CG1 4.44Å; V134-V147 HydrophobicContact CG2-CG1 4.4Å; V142-V147 HydrophobicContact CG1-CG2 4.47Å; V142-V147 HydrophobicContact CG2-CG1 4.38Å; V142-V147 HydrophobicContact CG2-CG2 4.24Å; V147-L160 PolarHBondContact N-O 3.49Å; V147-L160 PolarHBondContact O-N 3.09Å; V147-W203 HydrophobicContact CG2-CH2 3.96Å; V147-W203 HydrophobicContact CG2-CZ3 4.3Å
148	K	90.2	Very high	84.2	Confident	58 Å²	58	71.7 Å²	71.7	25%	0.252	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.7	171.6	-65.7	-179.7	-175.8	175.6	0	109.4	S140 E141 E145 I158 L159	S140-K148 CarbonylContact C-O 3.57Å; S140-K148 VanDerWaalsContact CA-O 3.3Å; S140-K148 WeakPolarHBondContact CA-O 3.39Å; E141-K148 HydrophobicContact CB-CB 4.44Å; E141-K148 PolarHBondContact N-O 3.22Å; E141-K148 PolarHBondContact O-N 2.81Å; E145-K148 IonicContact OE2-NZ 3.05Å; K148-I158 WeakPolarHBondContact CA-O 3.42Å; K148-L159 HydrophobicContact CG-CB 4.41Å; K148-L159 HydrophobicContact CG-CD1 3.67Å
149	F	86	Confident	85.8	Confident	4 Å²	4	64.7 Å²	64.7	2%	0.018	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	160.8	178.6	66.6	-79	0	0	0	110.7	Y97 M133 V137 E157 I158 L160	Y97-F149 AromaticContact CE2-CE2 3.78Å; Y97-F149 HydrophobicContact CE2-CE2 3.78Å; Y97-F149 HydrophobicContact CE2-CZ 4.11Å; M133-F149 HydrophobicContact CB-CD1 4.17Å; M133-F149 HydrophobicContact CB-CG 4.25Å; M133-F149 HydrophobicContact CE-CD1 4.36Å; M133-F149 HydrophobicContact CE-CE1 3.37Å; M133-F149 HydrophobicContact CE-CE2 4.3Å; M133-F149 HydrophobicContact CE-CZ 3.32Å; M133-F149 HydrophobicContact CG-CD1 3.94Å; M133-F149 HydrophobicContact CG-CD2 4.31Å; M133-F149 HydrophobicContact CG-CE1 3.81Å; M133-F149 HydrophobicContact CG-CE2 4.17Å; M133-F149 HydrophobicContact CG-CG 4.21Å; M133-F149 HydrophobicContact CG-CZ 3.93Å; M133-F149 HydrophobicContact SD-CD1 3.6Å; M133-F149 VanDerWaalsContact SD-CD1 3.6Å; M133-F149 HydrophobicContact SD-CE1 3.15Å; M133-F149 WeakPolarHBondContact SD-CE1 3.4Å; M133-F149 HydrophobicContact SD-CE2 4.48Å; M133-F149 HydrophobicContact SD-CG 4.44Å; M133-F149 HydrophobicContact SD-CZ 3.67Å; V137-F149 HydrophobicContact CB-CB 4.48Å; V137-F149 HydrophobicContact CG1-CB 4.28Å; V137-F149 HydrophobicContact CG2-CD2 4.31Å; F149-E157 WeakPolarHBondContact O-CA 3.41Å; F149-I158 HydrophobicContact CD1-CB 4.41Å; F149-I158 WeakPolarHBondContact CD1-O 3.45Å; F149-I158 HydrophobicContact CE1-CB 3.75Å; F149-I158 HydrophobicContact CE1-CG2 3.65Å; F149-I158 HydrophobicContact CE2-CB 4.09Å; F149-I158 HydrophobicContact CE2-CD1 4.23Å; F149-I158 HydrophobicContact CZ-CB 3.56Å; F149-I158 HydrophobicContact CZ-CD1 4.13Å; F149-I158 HydrophobicContact CZ-CG1 4.39Å; F149-I158 HydrophobicContact CZ-CG2 3.55Å; F149-I158 PolarHBondContact N-O 3.07Å; F149-I158 PolarHBondContact O-N 3.01Å; F149-L160 HydrophobicContact CE1-CB 4.22Å
150	K	83.9	Confident	87.2	Confident	102 Å²	102	59.2 Å²	59.2	44%	0.443	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.6	169.8	-66.9	-173.7	-179.5	178.8	0	110.2	K156	K150-K156 WeakPolarHBondContact CA-O 3.33Å
151	S	79.3	Confident	88	Confident	3 Å²	3	58 Å²	58	2%	0.021	30%	0.296	C	S	.	.			trans	-55.9	125.7	171.3	164.5	0	0	0	0	110.1	M101 Y153 D154 G155 K156	M101-S151 VanDerWaalsContact CE-OG 3.29Å; M101-S151 WeakPolarHBondContact CE-OG 2.97Å; S151-Y153 PolarHBondContact O-N 3.28Å; S151-Y153 PolarHBondContact OG-N 3.29Å; S151-D154 WeakPolarHBondContact CB-OD1 3.35Å; S151-D154 PolarHBondContact OG-N 2.99Å; S151-D154 PolarHBondContact OG-OD1 2.86Å; S151-G155 WeakPolarHBondContact O-CA 3.44Å; S151-G155 PolarHBondContact O-N 2.98Å; S151-K156 WeakPolarHBondContact CB-O 3.35Å; S151-K156 PolarHBondContact N-O 2.91Å
152	P	73.2	Confident	88.5	Confident	83 Å²	83	52.4 Å²	52.4	54%	0.539	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-7.6	176.7	31.5	-36.7	0	0	0	112.4	Y97	Y97-P152 WeakPolarHBondContact OH-CD 3.47Å; Y97-P152 WeakPolarHBondContact OH-CG 3.2Å
153	Y	76.5	Confident	88.8	Confident	75 Å²	75	54.3 Å²	54.3	29%	0.294	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-35.8	-175.4	-60.5	-68.1	0	0	0	113.6	H98 M101 S151	H98-Y153 PolarHBondContact ND1-OH 3.08Å; M101-Y153 HydrophobicContact CB-CD2 4.44Å; M101-Y153 HydrophobicContact CB-CE2 4.22Å; M101-Y153 HydrophobicContact CE-CD2 4.21Å; S151-Y153 PolarHBondContact O-N 3.28Å; S151-Y153 PolarHBondContact OG-N 3.29Å
154	D	82.2	Confident	88.9	Confident	83 Å²	83	57.6 Å²	57.6	44%	0.444	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.9	2.6	-174.5	67.6	-13.3	0	0	0	113.5	S151 K156	S151-D154 WeakPolarHBondContact CB-OD1 3.35Å; S151-D154 PolarHBondContact OG-N 2.99Å; S151-D154 PolarHBondContact OG-OD1 2.86Å; D154-K156 PolarHBondContact O-N 3.01Å; D154-K156 VanDerWaalsContact O-N 3.16Å; D154-K156 PolarHBondContact OD1-N 3.27Å; D154-K156 VanDerWaalsContact OD2-CD 3.26Å; D154-K156 WeakPolarHBondContact OD2-CD 3.27Å; D154-K156 WeakPolarHBondContact OD2-CE 3.34Å; D154-K156 IonicContact OD2-NZ 3.4Å
155	G	81.6	Confident	88.8	Confident	48 Å²	48	54 Å²	54	50%	0.495	27%	0.271	S	S	.	.			trans	72.6	0.1	175.6	0	0	0	0	0	115.1	S151	S151-G155 WeakPolarHBondContact O-CA 3.44Å; S151-G155 PolarHBondContact O-N 2.98Å
156	K	84.9	Confident	88.9	Confident	138 Å²	138	49.2 Å²	49.2	60%	0.6	25%	0.249	S	C	*	.			trans	-67.3	141.5	178.9	-68.7	-175.7	-171.8	165.9	0	110.8	K150 S151 D154	K150-K156 WeakPolarHBondContact CA-O 3.33Å; S151-K156 WeakPolarHBondContact CB-O 3.35Å; S151-K156 PolarHBondContact N-O 2.91Å; D154-K156 PolarHBondContact O-N 3.01Å; D154-K156 VanDerWaalsContact O-N 3.16Å; D154-K156 PolarHBondContact OD1-N 3.27Å; D154-K156 VanDerWaalsContact OD2-CD 3.26Å; D154-K156 WeakPolarHBondContact OD2-CD 3.27Å; D154-K156 WeakPolarHBondContact OD2-CE 3.34Å; D154-K156 IonicContact OD2-NZ 3.4Å
157	E	86.9	Confident	88.9	Confident	139 Å²	139	51.5 Å²	51.5	65%	0.65	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.6	171	-167.9	172.5	102	0	0	109.8	F149	F149-E157 WeakPolarHBondContact O-CA 3.41Å
158	I	87.3	Confident	89	Confident	45 Å²	45	52.1 Å²	52.1	23%	0.231	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133	-178.2	-60.2	179.7	0	0	0	107.8	M101 K148 F149	M101-I158 HydrophobicContact CE-CD1 3.22Å; M101-I158 HydrophobicContact SD-CD1 3.43Å; M101-I158 WeakPolarHBondContact SD-CD1 3.33Å; K148-I158 WeakPolarHBondContact CA-O 3.42Å; F149-I158 HydrophobicContact CD1-CB 4.41Å; F149-I158 WeakPolarHBondContact CD1-O 3.45Å; F149-I158 HydrophobicContact CE1-CB 3.75Å; F149-I158 HydrophobicContact CE1-CG2 3.65Å; F149-I158 HydrophobicContact CE2-CB 4.09Å; F149-I158 HydrophobicContact CE2-CD1 4.23Å; F149-I158 HydrophobicContact CZ-CB 3.56Å; F149-I158 HydrophobicContact CZ-CD1 4.13Å; F149-I158 HydrophobicContact CZ-CG1 4.39Å; F149-I158 HydrophobicContact CZ-CG2 3.55Å; F149-I158 PolarHBondContact N-O 3.07Å; F149-I158 PolarHBondContact O-N 3.01Å
159	L	91.7	Very high	89.4	Confident	56 Å²	56	49.3 Å²	49.3	29%	0.293	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.7	168.8	172.4	68.9	0	0	0	108.9	E145 K148	E145-L159 HydrophobicContact CG-CD1 4.3Å; E145-L159 HydrophobicContact CG-CD2 3.77Å; E145-L159 WeakPolarHBondContact OE1-CD2 3.32Å; K148-L159 HydrophobicContact CG-CB 4.41Å; K148-L159 HydrophobicContact CG-CD1 3.67Å
160	L	92.9	Very high	89.9	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	100.8	166.8	-172.1	73.2	0	0	0	109.3	M133 G146 V147 F149 K164 I168 L180	M133-L160 HydrophobicContact CE-CB 3.87Å; M133-L160 HydrophobicContact CE-CD1 4.18Å; M133-L160 HydrophobicContact CE-CD2 3.46Å; M133-L160 VanDerWaalsContact CE-CD2 3.46Å; M133-L160 HydrophobicContact CE-CG 4.01Å; M133-L160 HydrophobicContact SD-CB 3.68Å; M133-L160 HydrophobicContact SD-CD2 3.42Å; M133-L160 WeakPolarHBondContact SD-CD2 3.45Å; M133-L160 HydrophobicContact SD-CG 4.11Å; G146-L160 VanDerWaalsContact CA-O 3.31Å; G146-L160 WeakPolarHBondContact CA-O 3.45Å; V147-L160 PolarHBondContact N-O 3.49Å; V147-L160 PolarHBondContact O-N 3.09Å; F149-L160 HydrophobicContact CE1-CB 4.22Å; L160-K164 HydrophobicContact CD1-CB 4.34Å; L160-K164 HydrophobicContact CD1-CG 4.14Å; L160-I168 HydrophobicContact CD1-CD1 4.15Å; L160-L180 HydrophobicContact CD2-CD1 3.69Å; L160-L180 HydrophobicContact CD2-CD2 4.32Å; L160-L180 HydrophobicContact CG-CD1 4.47Å; L160-L180 HydrophobicContact CG-CD2 4.22Å; L160-L180 WeakPolarHBondContact O-CD2 3.44Å
161	S	96.8	Very high	90.4	Very high	17 Å²	17	46.3 Å²	46.3	12%	0.119	25%	0.246	C	C	.	.			trans	-87.7	161.9	169.1	82.8	0	0	0	0	111.4	E145 E163 K164 S165 L180	E145-S161 VanDerWaalsContact O-CB 3.29Å; E145-S161 WeakPolarHBondContact O-CB 3.49Å; S161-E163 VanDerWaalsContact C-N 3.26Å; S161-E163 VanDerWaalsContact CB-OE2 3.29Å; S161-E163 WeakPolarHBondContact CB-OE2 3.16Å; S161-E163 PolarHBondContact O-N 3.43Å; S161-E163 PolarHBondContact OG-N 2.93Å; S161-E163 PolarHBondContact OG-OE2 2.72Å; S161-K164 PolarHBondContact O-N 3.33Å; S161-K164 VanDerWaalsContact O-N 3.11Å; S161-K164 PolarHBondContact OG-N 2.82Å; S161-K164 VanDerWaalsContact OG-N 3.13Å; S161-S165 PolarHBondContact O-N 2.82Å; S161-L180 VanDerWaalsContact C-CD2 3.49Å
162	P	98.1	Very high	91.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-45.2	-47.1	167	-33.5	38.1	0	0	0	113.8	K164 S165 I166 L180 W203 R206	P162-K164 PolarHBondContact O-N 3.16Å; P162-S165 PolarHBondContact O-N 3.25Å; P162-I166 WeakPolarHBondContact O-CG1 3.27Å; P162-I166 PolarHBondContact O-N 3.4Å; P162-L180 HydrophobicContact CG-CD2 4.23Å; P162-W203 HydrophobicContact CG-CB 3.78Å; P162-W203 HydrophobicContact CG-CD2 3.74Å; P162-W203 HydrophobicContact CG-CE3 4.34Å; P162-W203 HydrophobicContact CG-CG 3.49Å; P162-W203 VanDerWaalsContact CG-CG 3.49Å; P162-R206 HydrophobicContact CB-CB 3.8Å; P162-R206 HydrophobicContact CG-CB 4.33Å
163	E	98.2	Very high	92.2	Very high	74 Å²	74	43.5 Å²	43.5	35%	0.346	23%	0.233	S	C	.	.	H	α-helix	trans	-66.4	-39.9	-179.9	-56.4	74.8	-163.5	0	0	111.8	S161 S167 R206 A210	S161-E163 VanDerWaalsContact C-N 3.26Å; S161-E163 VanDerWaalsContact CB-OE2 3.29Å; S161-E163 WeakPolarHBondContact CB-OE2 3.16Å; S161-E163 PolarHBondContact O-N 3.43Å; S161-E163 PolarHBondContact OG-N 2.93Å; S161-E163 PolarHBondContact OG-OE2 2.72Å; E163-S167 WeakPolarHBondContact O-CB 3.3Å; E163-S167 PolarHBondContact O-N 3.29Å; E163-R206 WeakPolarHBondContact OE1-CB 3.49Å; E163-R206 IonicContact OE1-CZ 3.89Å; E163-R206 IonicContact OE1-NE 3.21Å; E163-R206 PolarHBondContact OE1-NE 3.46Å; E163-R206 IonicContact OE1-NH2 3.68Å; E163-R206 PolarHBondContact OE1-NH2 3.35Å; E163-R206 IonicContact OE2-CZ 3.39Å; E163-R206 IonicContact OE2-NE 2.64Å; E163-R206 IonicContact OE2-NH2 3.22Å; E163-R206 PolarHBondContact OE2-NH2 3.38Å; E163-A210 HydrophobicContact CB-CB 4.22Å; E163-A210 HydrophobicContact CG-CB 4.2Å
164	K	95.4	Very high	93.1	Very high	102 Å²	102	39.9 Å²	39.9	44%	0.443	22%	0.219	S	C	.	.	H	α-helix	trans	-68.6	-41.6	178.4	-175.3	60.1	176.5	-179.7	0	111.3	L160 S161 P162 S167 I168	L160-K164 HydrophobicContact CD1-CB 4.34Å; L160-K164 HydrophobicContact CD1-CG 4.14Å; S161-K164 PolarHBondContact O-N 3.33Å; S161-K164 VanDerWaalsContact O-N 3.11Å; S161-K164 PolarHBondContact OG-N 2.82Å; S161-K164 VanDerWaalsContact OG-N 3.13Å; P162-K164 PolarHBondContact O-N 3.16Å; K164-S167 PolarHBondContact O-N 3.05Å; K164-I168 HydrophobicContact CD-CD1 4.5Å; K164-I168 HydrophobicContact CG-CD1 4.22Å; K164-I168 VanDerWaalsContact O-CG1 3.29Å; K164-I168 WeakPolarHBondContact O-CG1 3.21Å; K164-I168 PolarHBondContact O-N 3.41Å
165	S	96.3	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-48.8	175.7	179.3	0	0	0	0	111.2	S128 S161 P162 S167 I168 Q169	S128-S165 PolarHBondContact O-OG 2.75Å; S161-S165 PolarHBondContact O-N 2.82Å; P162-S165 PolarHBondContact O-N 3.25Å; S165-S167 PolarHBondContact O-N 3.11Å; S165-I168 PolarHBondContact O-N 3.36Å; S165-Q169 WeakPolarHBondContact O-CG 3.41Å; S165-Q169 PolarHBondContact O-N 3.13Å; S165-Q169 PolarHBondContact OG-NE2 2.64Å
166	I	97.8	Very high	94.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-40	177.9	-64.2	-60.9	0	0	0	111.9	P162 I168 Q169 N170 M177 C207 A210 N211 L219	P162-I166 WeakPolarHBondContact O-CG1 3.27Å; P162-I166 PolarHBondContact O-N 3.4Å; I166-I168 VanDerWaalsContact C-N 3.34Å; I166-I168 PolarHBondContact O-N 2.82Å; I166-Q169 CarbonylContact O-C 3.47Å; I166-Q169 PolarHBondContact O-N 3.5Å; I166-N170 WeakPolarHBondContact O-CB 3.44Å; I166-N170 PolarHBondContact O-N 3.27Å; I166-M177 HydrophobicContact CD1-SD 3.92Å; I166-M177 HydrophobicContact CG2-SD 4.3Å; I166-C207 HydrophobicContact CD1-CB 3.9Å; I166-C207 HydrophobicContact CG1-CB 3.75Å; I166-A210 HydrophobicContact CB-CB 3.94Å; I166-A210 HydrophobicContact CG1-CB 4.34Å; I166-A210 HydrophobicContact CG2-CB 3.94Å; I166-N211 HydrophobicContact CG2-CB 4.04Å; I166-L219 HydrophobicContact CD1-CD1 3.74Å
167	S	96	Very high	95.3	Very high	48 Å²	48	27.1 Å²	27.1	34%	0.336	15%	0.146	S	C	.	.	H	α-helix	trans	-58.9	-43.6	174.9	178.9	0	0	0	0	112.3	E163 K164 S165 N170 S171	E163-S167 WeakPolarHBondContact O-CB 3.3Å; E163-S167 PolarHBondContact O-N 3.29Å; K164-S167 PolarHBondContact O-N 3.05Å; S165-S167 PolarHBondContact O-N 3.11Å; S167-N170 PolarHBondContact O-N 3.01Å; S167-S171 PolarHBondContact O-N 2.81Å; S167-S171 VanDerWaalsContact O-N 3.09Å; S167-S171 PolarHBondContact O-OG 3.22Å
168	I	94.8	Very high	95.9	Very high	15 Å²	15	20.5 Å²	20.5	8%	0.077	12%	0.115	C	C	.	.	H	α-helix	trans	-62.2	-48.5	174.8	-65	162.6	0	0	0	109.9	T96 L160 K164 S165 I166 N170 S171 L172	T96-I168 HydrophobicContact CG2-CB 4.18Å; T96-I168 HydrophobicContact CG2-CG2 3.69Å; L160-I168 HydrophobicContact CD1-CD1 4.15Å; K164-I168 HydrophobicContact CD-CD1 4.5Å; K164-I168 HydrophobicContact CG-CD1 4.22Å; K164-I168 VanDerWaalsContact O-CG1 3.29Å; K164-I168 WeakPolarHBondContact O-CG1 3.21Å; K164-I168 PolarHBondContact O-N 3.41Å; S165-I168 PolarHBondContact O-N 3.36Å; I166-I168 VanDerWaalsContact C-N 3.34Å; I166-I168 PolarHBondContact O-N 2.82Å; I168-N170 VanDerWaalsContact C-N 3.28Å; I168-N170 PolarHBondContact O-N 2.82Å; I168-S171 WeakPolarHBondContact O-CB 3.41Å; I168-S171 PolarHBondContact O-N 3.14Å; I168-S171 VanDerWaalsContact O-N 3.09Å; I168-L172 HydrophobicContact CG2-CD1 4.16Å; I168-L172 HydrophobicContact CG2-CG 4.25Å; I168-L172 WeakPolarHBondContact O-CG 3.18Å; I168-L172 PolarHBondContact O-N 3.24Å
169	Q	97.1	Very high	96.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64	-31.6	179.9	-67.3	-177.5	86.5	0	0	112.8	T96 T126 D127 S165 I166 L172 G173 M177 M178 Q217	T96-Q169 HydrophobicContact CG2-CG 4Å; T126-Q169 PolarHBondContact O-OE1 3.21Å; T126-Q169 WeakPolarHBondContact OG1-CG 3.27Å; T126-Q169 PolarHBondContact OG1-OE1 3.44Å; D127-Q169 PolarHBondContact O-OE1 3.13Å; S165-Q169 WeakPolarHBondContact O-CG 3.41Å; S165-Q169 PolarHBondContact O-N 3.13Å; S165-Q169 PolarHBondContact OG-NE2 2.64Å; I166-Q169 CarbonylContact O-C 3.47Å; I166-Q169 PolarHBondContact O-N 3.5Å; Q169-L172 PolarHBondContact O-N 3.43Å; Q169-G173 PolarHBondContact O-N 3.12Å; Q169-M177 HydrophobicContact CB-CB 4.06Å; Q169-M177 HydrophobicContact CB-CE 4.2Å; Q169-M177 HydrophobicContact CG-CB 4.45Å; Q169-M177 VanDerWaalsContact OE1-CA 3.25Å; Q169-M178 PolarHBondContact NE2-O 2.86Å; Q169-M178 VanDerWaalsContact OE1-N 3.07Å; Q169-Q217 PolarHBondContact O-NE2 3.06Å
170	N	96.4	Very high	96.7	Very high	16 Å²	16	15.7 Å²	15.7	9%	0.086	9%	0.09	C	C	.	.	H	α-helix	trans	-62.8	-45.8	170.1	-73.6	155.2	0	0	0	111.6	I166 S167 I168 L172 G173 M177 N211 K212 Q217	I166-N170 WeakPolarHBondContact O-CB 3.44Å; I166-N170 PolarHBondContact O-N 3.27Å; S167-N170 PolarHBondContact O-N 3.01Å; I168-N170 VanDerWaalsContact C-N 3.28Å; I168-N170 PolarHBondContact O-N 2.82Å; N170-L172 VanDerWaalsContact C-N 3.33Å; N170-L172 PolarHBondContact O-N 3.43Å; N170-G173 PolarHBondContact O-N 3.2Å; N170-M177 VanDerWaalsContact ND2-CE 3.32Å; N170-M177 WeakPolarHBondContact ND2-CE 3.33Å; N170-N211 PolarHBondContact ND2-OD1 3.13Å; N170-K212 PolarHBondContact OD1-N 2.92Å; N170-K212 VanDerWaalsContact OD1-N 3.16Å; N170-Q217 VanDerWaalsContact CA-OE1 3.31Å; N170-Q217 PolarHBondContact ND2-OE1 3.37Å
171	S	94.8	Very high	96.8	Very high	26 Å²	26	16 Å²	16	18%	0.182	9%	0.092	C	C	.	.	H	α-helix	trans	-65.8	-33.3	175.1	-64.4	0	0	0	0	113.2	S167 I168 G173	S167-S171 PolarHBondContact O-N 2.81Å; S167-S171 VanDerWaalsContact O-N 3.09Å; S167-S171 PolarHBondContact O-OG 3.22Å; I168-S171 WeakPolarHBondContact O-CB 3.41Å; I168-S171 PolarHBondContact O-N 3.14Å; I168-S171 VanDerWaalsContact O-N 3.09Å; S171-G173 VanDerWaalsContact C-N 3.29Å
172	L	95.1	Very high	96.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.9	-29	175.1	-64.9	-178.7	0	0	0	112.1	L99 I108 L114 T126 I168 Q169 N170	L99-L172 HydrophobicContact CB-CD1 4.21Å; L99-L172 HydrophobicContact CB-CD2 3.97Å; L99-L172 HydrophobicContact CD1-CD1 4.19Å; L99-L172 HydrophobicContact CD1-CD2 4.38Å; I108-L172 HydrophobicContact CB-CD2 4.32Å; I108-L172 HydrophobicContact CD1-CD2 3.35Å; I108-L172 HydrophobicContact CG1-CD2 4.39Å; I108-L172 HydrophobicContact CG2-CD2 3.87Å; L114-L172 HydrophobicContact CB-CB 4.35Å; L114-L172 WeakPolarHBondContact CB-O 3.47Å; L114-L172 PolarHBondContact N-O 3.03Å; T126-L172 HydrophobicContact CG2-CB 4.48Å; T126-L172 HydrophobicContact CG2-CD1 3.85Å; I168-L172 HydrophobicContact CG2-CD1 4.16Å; I168-L172 HydrophobicContact CG2-CG 4.25Å; I168-L172 WeakPolarHBondContact O-CG 3.18Å; I168-L172 PolarHBondContact O-N 3.24Å; Q169-L172 PolarHBondContact O-N 3.43Å; N170-L172 VanDerWaalsContact C-N 3.33Å; N170-L172 PolarHBondContact O-N 3.43Å
173	G	95.3	Very high	96.2	Very high	27 Å²	27	16.2 Å²	16.2	28%	0.278	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	27.8	176.4	0	0	0	0	0	114.7	H115 Q169 N170 S171	H115-G173 PolarHBondContact CE1-O 3.08Å; H115-G173 PolarHBondContact ND1-O 3.05Å; Q169-G173 PolarHBondContact O-N 3.12Å; N170-G173 PolarHBondContact O-N 3.2Å; S171-G173 VanDerWaalsContact C-N 3.29Å
174	S	96.1	Very high	95.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.082	C	C	.	.			trans	-65.1	148.9	176	54	0	0	0	0	113.1	T126 I176 Q217	T126-S174 WeakPolarHBondContact OG1-CB 3.43Å; T126-S174 PolarHBondContact OG1-OG 3.17Å; S174-I176 WeakPolarHBondContact CB-O 3.49Å; S174-I176 PolarHBondContact OG-O 3.42Å; S174-Q217 VanDerWaalsContact N-NE2 3.19Å; S174-Q217 WeakPolarHBondContact O-CG 3.29Å; S174-Q217 PolarHBondContact O-NE2 3.19Å
175	D	98.1	Very high	95.3	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	8%	0.08	C	C	.	.	S	Bend	trans	-71.9	-34.4	178.5	-58.2	-92.9	0	0	0	112.4	L57 P58 H59 H115 N123 L124 N218	L57-D175 HydrophobicContact CB-CB 4.48Å; L57-D175 HydrophobicContact CD1-CB 4.48Å; P58-D175 WeakPolarHBondContact CB-OD1 3.38Å; P58-D175 WeakPolarHBondContact CD-OD1 3.3Å; H59-D175 IonicContact CE1-OD1 2.72Å; H59-D175 IonicContact CG-OD1 3.8Å; H59-D175 PolarHBondContact N-OD1 3.23Å; H59-D175 IonicContact ND1-OD1 3.46Å; H59-D175 PolarHBondContact ND1-OD1 3.41Å; H59-D175 IonicContact ND1-OD2 3.16Å; H59-D175 PolarHBondContact ND1-OD2 3.21Å; H115-D175 IonicContact CE1-OD2 2.67Å; H115-D175 PolarHBondContact CE1-OD2 2.89Å; H115-D175 IonicContact NE2-OD2 3.56Å; H115-D175 PolarHBondContact NE2-OD2 2.81Å; N123-D175 WeakPolarHBondContact CA-OD2 3.5Å; N123-D175 HydrophobicContact CB-CB 4.18Å; N123-D175 PolarHBondContact OD1-OD1 3.43Å; L124-D175 PolarHBondContact N-OD2 3.46Å; L124-D175 PolarHBondContact O-N 3.15Å; D175-N218 WeakPolarHBondContact O-CB 3.36Å; D175-N218 PolarHBondContact O-N 3.41Å; D175-N218 PolarHBondContact O-ND2 3.22Å
176	I	98.6	Very high	94.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.1	174.1	-58.3	173.4	0	0	0	108.3	L57 I91 L124 L125 T126 S174 M178 N218 F220 M299	L57-I176 HydrophobicContact CD1-CD1 3.97Å; L57-I176 HydrophobicContact CD1-CG1 4.32Å; L57-I176 HydrophobicContact CD2-CD1 4.21Å; L57-I176 HydrophobicContact CD2-CG1 4Å; I91-I176 HydrophobicContact CD1-CD1 4.06Å; L124-I176 PolarHBondContact O-N 3.26Å; L124-I176 VanDerWaalsContact O-N 3.1Å; L125-I176 CarbonylContact C-O 3.51Å; L125-I176 VanDerWaalsContact CA-O 3.31Å; L125-I176 WeakPolarHBondContact CA-O 3.4Å; L125-I176 HydrophobicContact CB-CB 4.21Å; L125-I176 HydrophobicContact CD1-CB 4Å; L125-I176 HydrophobicContact CD1-CD1 4.39Å; L125-I176 HydrophobicContact CD1-CG2 3.61Å; L125-I176 HydrophobicContact CG-CB 3.98Å; L125-I176 HydrophobicContact CG-CG2 3.89Å; T126-I176 PolarHBondContact N-O 2.8Å; S174-I176 WeakPolarHBondContact CB-O 3.49Å; S174-I176 PolarHBondContact OG-O 3.42Å; I176-M178 HydrophobicContact CG2-SD 4.49Å; I176-N218 WeakPolarHBondContact CA-O 3.49Å; I176-N218 HydrophobicContact CG1-CB 4.37Å; I176-F220 HydrophobicContact CD1-CE1 4.32Å; I176-F220 HydrophobicContact CD1-CZ 3.98Å; I176-F220 HydrophobicContact CG1-CE1 4.35Å; I176-F220 HydrophobicContact CG1-CZ 4.5Å; I176-F220 HydrophobicContact CG2-CD1 3.69Å; I176-F220 HydrophobicContact CG2-CD2 4.25Å; I176-F220 HydrophobicContact CG2-CE1 3.76Å; I176-F220 HydrophobicContact CG2-CE2 4.32Å; I176-F220 HydrophobicContact CG2-CG 3.94Å; I176-F220 HydrophobicContact CG2-CZ 4.07Å; I176-M299 HydrophobicContact CD1-CE 3.83Å
177	M	97.9	Very high	94.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.7	175.6	59.6	175.3	60.7	0	0	110.3	I166 Q169 N170 Q217 N218 L219 F220	I166-M177 HydrophobicContact CD1-SD 3.92Å; I166-M177 HydrophobicContact CG2-SD 4.3Å; Q169-M177 HydrophobicContact CB-CB 4.06Å; Q169-M177 HydrophobicContact CB-CE 4.2Å; Q169-M177 HydrophobicContact CG-CB 4.45Å; Q169-M177 VanDerWaalsContact OE1-CA 3.25Å; N170-M177 VanDerWaalsContact ND2-CE 3.32Å; N170-M177 WeakPolarHBondContact ND2-CE 3.33Å; M177-Q217 HydrophobicContact CE-CB 3.36Å; M177-Q217 HydrophobicContact CE-CG 3.98Å; M177-Q217 VanDerWaalsContact CE-NE2 3.26Å; M177-N218 PolarHBondContact N-O 2.77Å; M177-L219 HydrophobicContact CG-CB 4.06Å; M177-L219 HydrophobicContact CG-CD1 3.95Å; M177-L219 CarbonylContact O-C 3.4Å; M177-L219 WeakPolarHBondContact O-CA 3.13Å; M177-L219 HydrophobicContact SD-CB 4.41Å; M177-L219 HydrophobicContact SD-CD1 4.37Å; M177-F220 PolarHBondContact O-N 2.86Å
178	M	98.4	Very high	93.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.2	178.4	-60.9	-48.1	-61.2	0	0	110.6	L125 T126 Q169 I176 F220 I222 A248 Y279 M281	L125-M178 HydrophobicContact CD1-SD 4.19Å; L125-M178 HydrophobicContact CD2-CG 3.98Å; L125-M178 HydrophobicContact CD2-SD 4.24Å; L125-M178 HydrophobicContact CG-SD 4.46Å; T126-M178 VanDerWaalsContact O-CG 3.28Å; T126-M178 WeakPolarHBondContact O-CG 3.43Å; T126-M178 PolarHBondContact O-N 3.34Å; T126-M178 VanDerWaalsContact O-N 3.08Å; Q169-M178 PolarHBondContact NE2-O 2.86Å; Q169-M178 VanDerWaalsContact OE1-N 3.07Å; I176-M178 HydrophobicContact CG2-SD 4.49Å; M178-F220 HydrophobicContact CE-CB 3.72Å; M178-F220 HydrophobicContact SD-CB 3.74Å; M178-F220 HydrophobicContact SD-CD2 4.49Å; M178-F220 HydrophobicContact SD-CG 4.39Å; M178-I222 HydrophobicContact CB-CD1 4.31Å; M178-I222 HydrophobicContact CE-CD1 4.02Å; M178-I222 HydrophobicContact CE-CG1 3.54Å; M178-A248 HydrophobicContact CE-CB 3.3Å; M178-Y279 HydrophobicContact CE-CD1 4.03Å; M178-Y279 HydrophobicContact CE-CE1 4.12Å; M178-Y279 HydrophobicContact SD-CD1 3.94Å; M178-Y279 HydrophobicContact SD-CE1 3.83Å; M178-M281 HydrophobicContact CE-SD 4.25Å
179	Q	98.1	Very high	93.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-60	151.7	169.3	69.2	161.2	105.8	0	0	111	S128 S200 L204 C207 L219 F220 A221 I222	S128-Q179 WeakPolarHBondContact CB-O 3.32Å; S128-Q179 PolarHBondContact OG-O 3.13Å; Q179-S200 PolarHBondContact NE2-O 2.76Å; Q179-L204 HydrophobicContact CB-CD1 4.15Å; Q179-L204 HydrophobicContact CG-CD1 4.49Å; Q179-C207 HydrophobicContact CB-CB 4.18Å; Q179-L219 HydrophobicContact CB-CD1 4.18Å; Q179-F220 PolarHBondContact N-O 3.03Å; Q179-F220 VanDerWaalsContact N-O 3.13Å; Q179-A221 VanDerWaalsContact OE1-CA 3.3Å; Q179-I222 HydrophobicContact CG-CB 4.1Å; Q179-I222 HydrophobicContact CG-CD1 3.86Å; Q179-I222 HydrophobicContact CG-CG1 3.77Å; Q179-I222 VanDerWaalsContact O-CD1 3.3Å; Q179-I222 WeakPolarHBondContact O-CD1 3.48Å
180	L	97.7	Very high	93.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-72	137.4	161.1	-170.5	65.9	0	0	0	109.4	L160 S161 P162 W203 C207	L160-L180 HydrophobicContact CD2-CD1 3.69Å; L160-L180 HydrophobicContact CD2-CD2 4.32Å; L160-L180 HydrophobicContact CG-CD1 4.47Å; L160-L180 HydrophobicContact CG-CD2 4.22Å; L160-L180 WeakPolarHBondContact O-CD2 3.44Å; S161-L180 VanDerWaalsContact C-CD2 3.49Å; P162-L180 HydrophobicContact CG-CD2 4.23Å; L180-W203 HydrophobicContact CB-CE3 4.33Å; L180-W203 HydrophobicContact CD2-CE3 4.08Å; L180-W203 HydrophobicContact CD2-CH2 4.38Å; L180-W203 HydrophobicContact CD2-CZ3 3.86Å; L180-W203 HydrophobicContact CG-CE3 3.83Å; L180-W203 HydrophobicContact CG-CZ3 3.75Å; L180-C207 PolarHBondContact N-SG 3.42Å; L180-C207 VanDerWaalsContact N-SG 3.43Å
181	D	96.1	Very high	93.1	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.053	19%	0.193	C	C	.	.			trans	-134	156.6	-179.3	61.8	-32.3	0	0	0	110.8	V183 W203 I222 Q224	D181-V183 PolarHBondContact O-N 2.71Å; D181-W203 WeakPolarHBondContact O-CZ3 3.13Å; D181-I222 HydrophobicContact CB-CD1 4.2Å; D181-Q224 PolarHBondContact OD2-NE2 2.84Å
182	D	94.3	Very high	93.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.199	C	C	.	.			trans	-88.3	92.6	176	-178.3	5.1	0	0	0	109.4	V142 V184 R192 A196 R199 S200 W203	V142-D182 HydrophobicContact CG1-CB 4.45Å; D182-V184 PolarHBondContact O-N 2.94Å; D182-R192 VanDerWaalsContact CG-NH2 3.3Å; D182-R192 IonicContact OD1-CZ 3.55Å; D182-R192 IonicContact OD1-NH1 3.26Å; D182-R192 IonicContact OD1-NH2 3.34Å; D182-R192 PolarHBondContact OD1-NH2 2.94Å; D182-R192 IonicContact OD2-CZ 2.79Å; D182-R192 IonicContact OD2-NH1 3.6Å; D182-R192 PolarHBondContact OD2-NH1 3.24Å; D182-R192 IonicContact OD2-NH2 3.54Å; D182-R192 PolarHBondContact OD2-NH2 3.09Å; D182-R192 VanDerWaalsContact OD2-NH2 3.15Å; D182-A196 HydrophobicContact CB-CB 4.03Å; D182-A196 WeakPolarHBondContact O-CB 3.34Å; D182-A196 WeakPolarHBondContact OD2-CA 3.38Å; D182-R199 HydrophobicContact CB-CB 4.28Å; D182-R199 HydrophobicContact CB-CG 4.21Å; D182-R199 IonicContact OD2-CZ 3.77Å; D182-R199 IonicContact OD2-NH1 2.73Å; D182-R199 PolarHBondContact OD2-NH1 3.11Å; D182-S200 PolarHBondContact N-OG 3.4Å; D182-W203 HydrophobicContact CB-CZ3 4.24Å
183	V	87.6	Confident	93.1	Very high	22 Å²	22	34.1 Å²	34.1	13%	0.133	20%	0.202	C	C	.	.			trans	-78	125.8	-172.3	-169.4	0	0	0	0	111.8	F131 D181	F131-V183 HydrophobicContact CD2-CG1 3.98Å; D181-V183 PolarHBondContact O-N 2.71Å
184	V	88	Confident	93.1	Very high	21 Å²	21	37.4 Å²	37.4	13%	0.127	21%	0.21	C	C	.	.			trans	-118.7	140.7	173.6	177.3	0	0	0	0	108.8	D182 S186 V188 R192 V193 A196	D182-V184 PolarHBondContact O-N 2.94Å; V184-S186 PolarHBondContact O-N 3.11Å; V184-V188 HydrophobicContact CG1-CB 3.54Å; V184-V188 HydrophobicContact CG1-CG1 3.62Å; V184-V188 HydrophobicContact CG1-CG2 4.07Å; V184-R192 HydrophobicContact CG2-CG 4.24Å; V184-V193 HydrophobicContact CG1-CG2 4.27Å; V184-A196 HydrophobicContact CB-CB 4.49Å; V184-A196 HydrophobicContact CG2-CB 3.44Å; V184-A196 VanDerWaalsContact CG2-CB 3.44Å
185	S	87.3	Confident	93.2	Very high	58 Å²	58	41.7 Å²	41.7	41%	0.406	23%	0.23	S	C	.	.			trans	-56.2	138.8	174.4	175.7	0	0	0	0	110.5	T187 V188	S185-T187 PolarHBondContact O-N 2.87Å; S185-T187 PolarHBondContact OG-N 2.93Å; S185-T187 PolarHBondContact OG-OG1 3Å; S185-V188 WeakPolarHBondContact O-CB 3.35Å; S185-V188 PolarHBondContact O-N 2.89Å
186	S	84.7	Confident	93.1	Very high	5 Å²	5	41.8 Å²	41.8	4%	0.035	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-22.8	179.5	54.2	0	0	0	0	113.3	V184 L227 G251 E256	V184-S186 PolarHBondContact O-N 3.11Å; S186-L227 WeakPolarHBondContact O-CD1 3.43Å; S186-L227 WeakPolarHBondContact O-CG 3.12Å; S186-G251 WeakPolarHBondContact CB-O 3.49Å; S186-E256 VanDerWaalsContact CB-OE2 3.28Å; S186-E256 WeakPolarHBondContact CB-OE2 3.22Å; S186-E256 PolarHBondContact OG-OE2 2.69Å
187	T	85.1	Confident	93.1	Very high	84 Å²	84	41.9 Å²	41.9	52%	0.515	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.3	179.1	56.1	0	0	0	0	114.4	S185	S185-T187 PolarHBondContact O-N 2.87Å; S185-T187 PolarHBondContact OG-N 2.93Å; S185-T187 PolarHBondContact OG-OG1 3Å
188	V	88.2	Confident	93.1	Very high	60 Å²	60	45.5 Å²	45.5	36%	0.364	25%	0.249	S	C	.	.			trans	-74.7	137.9	177.1	169.5	0	0	0	0	109.5	V184 S185 R192 V193	V184-V188 HydrophobicContact CG1-CB 3.54Å; V184-V188 HydrophobicContact CG1-CG1 3.62Å; V184-V188 HydrophobicContact CG1-CG2 4.07Å; S185-V188 WeakPolarHBondContact O-CB 3.35Å; S185-V188 PolarHBondContact O-N 2.89Å; V188-R192 HydrophobicContact CG1-CB 4.44Å; V188-R192 HydrophobicContact CG1-CG 4.49Å; V188-V193 HydrophobicContact CG1-CG2 4.2Å; V188-V193 WeakPolarHBondContact O-CG2 3.45Å
189	K	87.6	Confident	93.1	Very high	189 Å²	189	46.4 Å²	46.4	82%	0.822	25%	0.252	S	S	*	.			trans	-122.9	159.2	179	-61.4	-174.8	179	-174.8	0	110.6
190	G	90.9	Very high	93.1	Very high	44 Å²	44	46.4 Å²	46.4	45%	0.454	25%	0.252	S	S	.	.	S	Bend	trans	93.9	-165.3	173.1	0	0	0	0	0	114.7	R192 V193	G190-R192 PolarHBondContact O-N 3.2Å; G190-V193 PolarHBondContact O-N 2.86Å
191	P	95	Very high	93.2	Very high	106 Å²	106	47 Å²	47	69%	0.688	26%	0.255	S	S	*	.	H	α-helix	trans	-57.5	-25.1	-165.9	-27.5	34.9	0	0	0	115.2	V193 E194 E195	P191-V193 VanDerWaalsContact C-N 3.25Å; P191-V193 PolarHBondContact O-N 3.19Å; P191-E194 PolarHBondContact O-N 3.18Å; P191-E195 WeakPolarHBondContact O-CB 3.44Å; P191-E195 PolarHBondContact O-N 2.99Å
192	R	94.3	Very high	93.3	Very high	78 Å²	78	51.4 Å²	51.4	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-34	178.7	179.2	59	-174.5	98.7	-1.9	112.9	D182 V184 V188 G190 A196	D182-R192 VanDerWaalsContact CG-NH2 3.3Å; D182-R192 IonicContact OD1-CZ 3.55Å; D182-R192 IonicContact OD1-NH1 3.26Å; D182-R192 IonicContact OD1-NH2 3.34Å; D182-R192 PolarHBondContact OD1-NH2 2.94Å; D182-R192 IonicContact OD2-CZ 2.79Å; D182-R192 IonicContact OD2-NH1 3.6Å; D182-R192 PolarHBondContact OD2-NH1 3.24Å; D182-R192 IonicContact OD2-NH2 3.54Å; D182-R192 PolarHBondContact OD2-NH2 3.09Å; D182-R192 VanDerWaalsContact OD2-NH2 3.15Å; V184-R192 HydrophobicContact CG2-CG 4.24Å; V188-R192 HydrophobicContact CG1-CB 4.44Å; V188-R192 HydrophobicContact CG1-CG 4.49Å; G190-R192 PolarHBondContact O-N 3.2Å; R192-A196 WeakPolarHBondContact O-CB 3.45Å; R192-A196 PolarHBondContact O-N 3.31Å
193	V	95.1	Very high	93.5	Very high	12 Å²	12	51.4 Å²	51.4	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-70.2	-44.8	-179.6	-177.5	0	0	0	0	110.5	V184 V188 G190 P191 A196 M197 L231	V184-V193 HydrophobicContact CG1-CG2 4.27Å; V188-V193 HydrophobicContact CG1-CG2 4.2Å; V188-V193 WeakPolarHBondContact O-CG2 3.45Å; G190-V193 PolarHBondContact O-N 2.86Å; P191-V193 VanDerWaalsContact C-N 3.25Å; P191-V193 PolarHBondContact O-N 3.19Å; V193-A196 PolarHBondContact O-N 3.48Å; V193-M197 WeakPolarHBondContact O-CB 3.4Å; V193-M197 PolarHBondContact O-N 3.06Å; V193-L231 HydrophobicContact CB-CD1 4.14Å; V193-L231 HydrophobicContact CG1-CD1 3.86Å
194	E	97.3	Very high	94	Very high	95 Å²	95	50.3 Å²	50.3	44%	0.444	26%	0.264	S	S	.	.	H	α-helix	trans	-63.1	-44.5	176.1	-179.2	176.8	-167.4	0	0	111.3	P191 A196 M197 H198 L231	P191-E194 PolarHBondContact O-N 3.18Å; E194-A196 PolarHBondContact O-N 2.98Å; E194-M197 HydrophobicContact CG-CE 4.48Å; E194-M197 PolarHBondContact O-N 3.43Å; E194-H198 PolarHBondContact O-CD2 2.87Å; E194-H198 VanDerWaalsContact O-CD2 3.25Å; E194-H198 PolarHBondContact O-N 3.37Å; E194-H198 IonicContact OE1-NE2 3.64Å; E194-L231 HydrophobicContact CB-CD1 3.97Å; E194-L231 HydrophobicContact CB-CD2 3.87Å; E194-L231 HydrophobicContact CG-CD2 3.82Å
195	E	97.4	Very high	94.6	Very high	90 Å²	90	52.5 Å²	52.5	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-58.9	-46.3	175.4	-171.2	-166.7	145.5	0	0	112	P191 H198 R199	P191-E195 WeakPolarHBondContact O-CB 3.44Å; P191-E195 PolarHBondContact O-N 2.99Å; E195-H198 PolarHBondContact O-N 2.73Å; E195-R199 WeakPolarHBondContact O-CB 3.32Å; E195-R199 PolarHBondContact O-N 3.49Å; E195-R199 IonicContact OE1-CZ 2.61Å; E195-R199 VanDerWaalsContact OE1-CZ 3.26Å; E195-R199 IonicContact OE1-NH1 2.82Å; E195-R199 PolarHBondContact OE1-NH1 3.32Å; E195-R199 IonicContact OE1-NH2 3.6Å; E195-R199 PolarHBondContact OE1-NH2 3.36Å
196	A	96.3	Very high	95.1	Very high	3 Å²	3	52.6 Å²	52.6	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-43.5	176.8	0	0	0	0	0	112.3	D182 V184 R192 V193 E194 R199 S200	D182-A196 HydrophobicContact CB-CB 4.03Å; D182-A196 WeakPolarHBondContact O-CB 3.34Å; D182-A196 WeakPolarHBondContact OD2-CA 3.38Å; V184-A196 HydrophobicContact CB-CB 4.49Å; V184-A196 HydrophobicContact CG2-CB 3.44Å; V184-A196 VanDerWaalsContact CG2-CB 3.44Å; R192-A196 WeakPolarHBondContact O-CB 3.45Å; R192-A196 PolarHBondContact O-N 3.31Å; V193-A196 PolarHBondContact O-N 3.48Å; E194-A196 PolarHBondContact O-N 2.98Å; A196-R199 PolarHBondContact O-N 3.18Å; A196-S200 VanDerWaalsContact O-CB 3.32Å; A196-S200 WeakPolarHBondContact O-CB 3.44Å; A196-S200 PolarHBondContact O-N 2.94Å; A196-S200 PolarHBondContact O-OG 2.79Å
197	M	97.6	Very high	95.8	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-50.4	178.3	177.6	-82.8	-68.2	0	0	110.4	V193 E194 R199 S200 I201 Q224 L231 A234 C235	V193-M197 WeakPolarHBondContact O-CB 3.4Å; V193-M197 PolarHBondContact O-N 3.06Å; E194-M197 HydrophobicContact CG-CE 4.48Å; E194-M197 PolarHBondContact O-N 3.43Å; M197-R199 PolarHBondContact O-N 3.39Å; M197-S200 PolarHBondContact O-N 3.29Å; M197-I201 WeakPolarHBondContact O-CG1 3.41Å; M197-I201 PolarHBondContact O-N 2.87Å; M197-I201 VanDerWaalsContact O-N 3.09Å; M197-I201 HydrophobicContact SD-CD1 3.42Å; M197-I201 WeakPolarHBondContact SD-CD1 3.29Å; M197-I201 HydrophobicContact SD-CG1 4.45Å; M197-Q224 HydrophobicContact CB-CB 4.39Å; M197-Q224 HydrophobicContact CG-CB 4.45Å; M197-L231 HydrophobicContact CE-CD2 3.95Å; M197-A234 HydrophobicContact CE-CB 4.38Å; M197-C235 HydrophobicContact CG-CB 3.63Å; M197-C235 HydrophobicContact SD-CB 4.06Å
198	H	98.5	Very high	96.4	Very high	77 Å²	77	51.7 Å²	51.7	36%	0.356	26%	0.258	S	S	.	.	H	α-helix	trans	-64.6	-38.8	177.7	-74.6	-56	0	0	0	113.2	E194 E195 I201 R202	E194-H198 PolarHBondContact O-CD2 2.87Å; E194-H198 VanDerWaalsContact O-CD2 3.25Å; E194-H198 PolarHBondContact O-N 3.37Å; E194-H198 IonicContact OE1-NE2 3.64Å; E195-H198 PolarHBondContact O-N 2.73Å; H198-I201 PolarHBondContact O-N 2.89Å; H198-R202 PolarHBondContact O-N 3.11Å; H198-R202 PolarHBondContact O-NH1 3.13Å
199	R	98.4	Very high	96.9	Very high	19 Å²	19	53.1 Å²	53.1	7%	0.072	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-43.7	173.9	-177.6	173.1	-64.9	120.5	-0.1	111.6	E144 D182 E195 A196 M197 I201 R202 W203	E144-R199 IonicContact OE2-NE 3.68Å; E144-R199 PolarHBondContact OE2-NE 3.39Å; D182-R199 HydrophobicContact CB-CB 4.28Å; D182-R199 HydrophobicContact CB-CG 4.21Å; D182-R199 IonicContact OD2-CZ 3.77Å; D182-R199 IonicContact OD2-NH1 2.73Å; D182-R199 PolarHBondContact OD2-NH1 3.11Å; E195-R199 WeakPolarHBondContact O-CB 3.32Å; E195-R199 PolarHBondContact O-N 3.49Å; E195-R199 IonicContact OE1-CZ 2.61Å; E195-R199 VanDerWaalsContact OE1-CZ 3.26Å; E195-R199 IonicContact OE1-NH1 2.82Å; E195-R199 PolarHBondContact OE1-NH1 3.32Å; E195-R199 IonicContact OE1-NH2 3.6Å; E195-R199 PolarHBondContact OE1-NH2 3.36Å; A196-R199 PolarHBondContact O-N 3.18Å; M197-R199 PolarHBondContact O-N 3.39Å; R199-I201 VanDerWaalsContact C-N 3.29Å; R199-I201 PolarHBondContact O-N 3.42Å; R199-R202 PolarHBondContact O-N 3.26Å; R199-R202 VanDerWaalsContact O-N 3.14Å; R199-W203 HydrophobicContact CG-CD2 3.98Å; R199-W203 HydrophobicContact CG-CG 4.26Å; R199-W203 HydrophobicContact CG-CZ2 3.99Å; R199-W203 WeakPolarHBondContact O-CB 3.4Å; R199-W203 PolarHBondContact O-N 2.93Å
200	S	98.4	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-33.8	179.2	-58.4	0	0	0	0	112.5	Q179 D182 A196 M197 L204	Q179-S200 PolarHBondContact NE2-O 2.76Å; D182-S200 PolarHBondContact N-OG 3.4Å; A196-S200 VanDerWaalsContact O-CB 3.32Å; A196-S200 WeakPolarHBondContact O-CB 3.44Å; A196-S200 PolarHBondContact O-N 2.94Å; A196-S200 PolarHBondContact O-OG 2.79Å; M197-S200 PolarHBondContact O-N 3.29Å; S200-L204 PolarHBondContact O-N 3.15Å
201	I	98.7	Very high	97.7	Very high	12 Å²	12	44 Å²	44	6%	0.062	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-47.6	171.8	-66.2	163.7	0	0	0	110.8	M197 H198 R199 W203 L204 D205 E238 M239	M197-I201 WeakPolarHBondContact O-CG1 3.41Å; M197-I201 PolarHBondContact O-N 2.87Å; M197-I201 VanDerWaalsContact O-N 3.09Å; M197-I201 HydrophobicContact SD-CD1 3.42Å; M197-I201 WeakPolarHBondContact SD-CD1 3.29Å; M197-I201 HydrophobicContact SD-CG1 4.45Å; H198-I201 PolarHBondContact O-N 2.89Å; R199-I201 VanDerWaalsContact C-N 3.29Å; R199-I201 PolarHBondContact O-N 3.42Å; I201-W203 VanDerWaalsContact C-N 3.31Å; I201-W203 PolarHBondContact O-N 3.33Å; I201-L204 WeakPolarHBondContact O-CB 3.37Å; I201-L204 PolarHBondContact O-N 2.84Å; I201-D205 PolarHBondContact O-N 3.14Å; I201-E238 HydrophobicContact CD1-CB 3.73Å; I201-E238 HydrophobicContact CD1-CG 4.09Å; I201-E238 HydrophobicContact CG1-CB 4.34Å; I201-E238 HydrophobicContact CG2-CB 4.33Å; I201-M239 HydrophobicContact CG1-CE 3.91Å; I201-M239 HydrophobicContact CG1-CG 4.14Å
202	R	98.7	Very high	97.8	Very high	102 Å²	102	46.2 Å²	46.2	39%	0.385	23%	0.227	S	C	.	.	H	α-helix	trans	-64.8	-36.3	177.2	-66.6	-172.3	-60.3	-86.9	2.3	112.2	E144 H198 R199 L204 D205 R206	E144-R202 IonicContact OE1-CZ 2.65Å; E144-R202 IonicContact OE1-NE 2.76Å; E144-R202 PolarHBondContact OE1-NE 3.42Å; E144-R202 IonicContact OE1-NH2 2.96Å; E144-R202 IonicContact OE2-CZ 2.77Å; E144-R202 IonicContact OE2-NE 3.18Å; E144-R202 IonicContact OE2-NH2 3.86Å; E144-R202 PolarHBondContact OE2-NH2 3.33Å; H198-R202 PolarHBondContact O-N 3.11Å; H198-R202 PolarHBondContact O-NH1 3.13Å; R199-R202 PolarHBondContact O-N 3.26Å; R199-R202 VanDerWaalsContact O-N 3.14Å; R202-L204 VanDerWaalsContact C-N 3.34Å; R202-D205 PolarHBondContact O-N 3.4Å; R202-R206 PolarHBondContact O-N 2.85Å
203	W	98.8	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.1	-31.9	176.2	-76.2	9.9	0	0	0	112.8	V142 T143 E144 V147 P162 L180 D181 D182 R199 I201 D205 R206 C207	V142-W203 HydrophobicContact CG1-CH2 3.9Å; V142-W203 HydrophobicContact CG1-CZ2 4.41Å; T143-W203 VanDerWaalsContact O-CZ2 3.28Å; T143-W203 WeakPolarHBondContact O-CZ2 3.46Å; E144-W203 PolarHBondContact O-NE1 2.94Å; V147-W203 HydrophobicContact CG2-CH2 3.96Å; V147-W203 HydrophobicContact CG2-CZ3 4.3Å; P162-W203 HydrophobicContact CG-CB 3.78Å; P162-W203 HydrophobicContact CG-CD2 3.74Å; P162-W203 HydrophobicContact CG-CE3 4.34Å; P162-W203 HydrophobicContact CG-CG 3.49Å; P162-W203 VanDerWaalsContact CG-CG 3.49Å; L180-W203 HydrophobicContact CB-CE3 4.33Å; L180-W203 HydrophobicContact CD2-CE3 4.08Å; L180-W203 HydrophobicContact CD2-CH2 4.38Å; L180-W203 HydrophobicContact CD2-CZ3 3.86Å; L180-W203 HydrophobicContact CG-CE3 3.83Å; L180-W203 HydrophobicContact CG-CZ3 3.75Å; D181-W203 WeakPolarHBondContact O-CZ3 3.13Å; D182-W203 HydrophobicContact CB-CZ3 4.24Å; R199-W203 HydrophobicContact CG-CD2 3.98Å; R199-W203 HydrophobicContact CG-CG 4.26Å; R199-W203 HydrophobicContact CG-CZ2 3.99Å; R199-W203 WeakPolarHBondContact O-CB 3.4Å; R199-W203 PolarHBondContact O-N 2.93Å; I201-W203 VanDerWaalsContact C-N 3.31Å; I201-W203 PolarHBondContact O-N 3.33Å; W203-D205 VanDerWaalsContact C-N 3.35Å; W203-D205 PolarHBondContact O-N 3.4Å; W203-R206 WeakPolarHBondContact O-CB 3.26Å; W203-R206 PolarHBondContact O-N 3Å; W203-C207 PolarHBondContact O-N 3.48Å; W203-C207 PolarHBondContact O-SG 3.48Å; W203-C207 VanDerWaalsContact O-SG 3.41Å
204	L	98.8	Very high	97.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.6	-46.9	171.8	176.3	58.8	0	0	0	111.2	Q179 S200 I201 R202 R206 C207 I208 L219 A221 M239 R242 V244	Q179-L204 HydrophobicContact CB-CD1 4.15Å; Q179-L204 HydrophobicContact CG-CD1 4.49Å; S200-L204 PolarHBondContact O-N 3.15Å; I201-L204 WeakPolarHBondContact O-CB 3.37Å; I201-L204 PolarHBondContact O-N 2.84Å; R202-L204 VanDerWaalsContact C-N 3.34Å; L204-R206 VanDerWaalsContact C-N 3.27Å; L204-R206 PolarHBondContact O-N 2.99Å; L204-C207 WeakPolarHBondContact O-CB 3.26Å; L204-C207 PolarHBondContact O-N 2.88Å; L204-C207 VanDerWaalsContact O-N 3.09Å; L204-I208 HydrophobicContact CD1-CD1 4.05Å; L204-I208 HydrophobicContact CD1-CG1 4.14Å; L204-I208 HydrophobicContact CG-CD1 3.92Å; L204-I208 HydrophobicContact CG-CG1 4.45Å; L204-I208 WeakPolarHBondContact O-CG1 3.41Å; L204-I208 PolarHBondContact O-N 3.19Å; L204-L219 HydrophobicContact CD1-CD2 4.44Å; L204-A221 HydrophobicContact CD1-CB 3.89Å; L204-A221 HydrophobicContact CD2-CB 3.63Å; L204-A221 HydrophobicContact CG-CB 4.41Å; L204-M239 HydrophobicContact CD2-CB 4.36Å; L204-M239 HydrophobicContact CD2-CG 4.09Å; L204-M239 HydrophobicContact CD2-SD 4.39Å; L204-R242 HydrophobicContact CD2-CB 4.37Å; L204-R242 HydrophobicContact CD2-CG 4.25Å; L204-V244 HydrophobicContact CD1-CG1 4.29Å
205	D	98.8	Very high	97.7	Very high	67 Å²	67	49.7 Å²	49.7	36%	0.358	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-38.5	179.6	-64	-31.7	0	0	0	111.3	I201 R202 W203 I208 A209 R242	I201-D205 PolarHBondContact O-N 3.14Å; R202-D205 PolarHBondContact O-N 3.4Å; W203-D205 VanDerWaalsContact C-N 3.35Å; W203-D205 PolarHBondContact O-N 3.4Å; D205-I208 PolarHBondContact O-N 3.42Å; D205-A209 PolarHBondContact O-N 2.83Å; D205-A209 VanDerWaalsContact O-N 3.09Å; D205-R242 IonicContact OD1-CZ 3.79Å; D205-R242 IonicContact OD1-NE 3.84Å; D205-R242 PolarHBondContact OD1-NE 2.81Å; D205-R242 IonicContact OD1-NH2 3.78Å; D205-R242 PolarHBondContact OD1-NH2 3.36Å; D205-R242 IonicContact OD2-CZ 2.71Å; D205-R242 IonicContact OD2-NE 3.97Å; D205-R242 IonicContact OD2-NH2 2.82Å; D205-R242 PolarHBondContact OD2-NH2 2.92Å
206	R	98.8	Very high	97.6	Very high	59 Å²	59	51.3 Å²	51.3	22%	0.223	26%	0.262	C	S	.	.	H	α-helix	trans	-65.9	-41.4	173.1	-69.1	169.1	62.7	-172.3	2.3	112.4	E144 E145 P162 E163 R202 W203 L204 A209 A210	E144-R206 PolarHBondContact O-NH1 3.37Å; E145-R206 PolarHBondContact O-NH1 3Å; E145-R206 PolarHBondContact O-NH2 3.37Å; P162-R206 HydrophobicContact CB-CB 3.8Å; P162-R206 HydrophobicContact CG-CB 4.33Å; E163-R206 WeakPolarHBondContact OE1-CB 3.49Å; E163-R206 IonicContact OE1-CZ 3.89Å; E163-R206 IonicContact OE1-NE 3.21Å; E163-R206 PolarHBondContact OE1-NE 3.46Å; E163-R206 IonicContact OE1-NH2 3.68Å; E163-R206 PolarHBondContact OE1-NH2 3.35Å; E163-R206 IonicContact OE2-CZ 3.39Å; E163-R206 IonicContact OE2-NE 2.64Å; E163-R206 IonicContact OE2-NH2 3.22Å; E163-R206 PolarHBondContact OE2-NH2 3.38Å; R202-R206 PolarHBondContact O-N 2.85Å; W203-R206 WeakPolarHBondContact O-CB 3.26Å; W203-R206 PolarHBondContact O-N 3Å; L204-R206 VanDerWaalsContact C-N 3.27Å; L204-R206 PolarHBondContact O-N 2.99Å; R206-A209 PolarHBondContact O-N 3.18Å; R206-A210 VanDerWaalsContact O-CB 3.29Å; R206-A210 WeakPolarHBondContact O-CB 3.36Å; R206-A210 PolarHBondContact O-N 2.84Å
207	C	98.8	Very high	97.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-42.3	176	-76.6	0	0	0	0	112.1	I166 Q179 L180 W203 L204 A210 N211 L219	I166-C207 HydrophobicContact CD1-CB 3.9Å; I166-C207 HydrophobicContact CG1-CB 3.75Å; Q179-C207 HydrophobicContact CB-CB 4.18Å; L180-C207 PolarHBondContact N-SG 3.42Å; L180-C207 VanDerWaalsContact N-SG 3.43Å; W203-C207 PolarHBondContact O-N 3.48Å; W203-C207 PolarHBondContact O-SG 3.48Å; W203-C207 VanDerWaalsContact O-SG 3.41Å; L204-C207 WeakPolarHBondContact O-CB 3.26Å; L204-C207 PolarHBondContact O-N 2.88Å; L204-C207 VanDerWaalsContact O-N 3.09Å; C207-A210 PolarHBondContact O-N 3.15Å; C207-N211 PolarHBondContact O-N 2.96Å; C207-L219 HydrophobicContact CB-CD1 4.42Å; C207-L219 HydrophobicContact CB-CD2 3.85Å
208	I	98.6	Very high	97.7	Very high	71 Å²	71	51.8 Å²	51.8	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-59.3	-48.9	176.1	-69.1	165.9	0	0	0	109.8	L204 D205 A210 N211 L219 R242 V244	L204-I208 HydrophobicContact CD1-CD1 4.05Å; L204-I208 HydrophobicContact CD1-CG1 4.14Å; L204-I208 HydrophobicContact CG-CD1 3.92Å; L204-I208 HydrophobicContact CG-CG1 4.45Å; L204-I208 WeakPolarHBondContact O-CG1 3.41Å; L204-I208 PolarHBondContact O-N 3.19Å; D205-I208 PolarHBondContact O-N 3.42Å; I208-A210 VanDerWaalsContact C-N 3.26Å; I208-A210 PolarHBondContact O-N 3.23Å; I208-N211 PolarHBondContact O-N 3.37Å; I208-L219 HydrophobicContact CB-CD2 4.4Å; I208-L219 HydrophobicContact CG1-CD2 3.73Å; I208-R242 HydrophobicContact CD1-CB 3.99Å; I208-R242 HydrophobicContact CD1-CG 3.87Å; I208-V244 HydrophobicContact CD1-CG1 4Å; I208-V244 HydrophobicContact CG1-CG1 4.25Å
209	A	98.5	Very high	97.7	Very high	89 Å²	89	48.5 Å²	48.5	74%	0.736	25%	0.249	S	C	*	.	H	α-helix	trans	-64.4	-30.2	179	0	0	0	0	0	113.3	D205 R206	D205-A209 PolarHBondContact O-N 2.83Å; D205-A209 VanDerWaalsContact O-N 3.09Å; R206-A209 PolarHBondContact O-N 3.18Å
210	A	98.4	Very high	97.7	Very high	20 Å²	20	47.6 Å²	47.6	17%	0.165	25%	0.245	C	C	.	.	H	α-helix	trans	-81.2	-18.8	-178.3	0	0	0	0	0	114.3	E163 I166 R206 C207 I208 K212	E163-A210 HydrophobicContact CB-CB 4.22Å; E163-A210 HydrophobicContact CG-CB 4.2Å; I166-A210 HydrophobicContact CB-CB 3.94Å; I166-A210 HydrophobicContact CG1-CB 4.34Å; I166-A210 HydrophobicContact CG2-CB 3.94Å; R206-A210 VanDerWaalsContact O-CB 3.29Å; R206-A210 WeakPolarHBondContact O-CB 3.36Å; R206-A210 PolarHBondContact O-N 2.84Å; C207-A210 PolarHBondContact O-N 3.15Å; I208-A210 VanDerWaalsContact C-N 3.26Å; I208-A210 PolarHBondContact O-N 3.23Å; A210-K212 PolarHBondContact O-N 3.39Å
211	N	97.6	Very high	97.7	Very high	21 Å²	21	47.6 Å²	47.6	11%	0.112	25%	0.245	C	C	.	.			trans	-71.2	111.8	-176.4	-176.6	9.5	0	0	0	111.1	I166 N170 C207 I208 H213 Q217	I166-N211 HydrophobicContact CG2-CB 4.04Å; N170-N211 PolarHBondContact ND2-OD1 3.13Å; C207-N211 PolarHBondContact O-N 2.96Å; I208-N211 PolarHBondContact O-N 3.37Å; N211-H213 PolarHBondContact OD1-N 2.79Å; N211-Q217 PolarHBondContact ND2-O 3.21Å
212	K	96.6	Very high	97.7	Very high	154 Å²	154	47 Å²	47	67%	0.67	24%	0.242	S	C	*	.	S	Bend	trans	-83.9	-9.9	-178.5	-65.1	-179.4	-179.5	177.3	0	114.4	N170 A210 P214	N170-K212 PolarHBondContact OD1-N 2.92Å; N170-K212 VanDerWaalsContact OD1-N 3.16Å; A210-K212 PolarHBondContact O-N 3.39Å; K212-P214 VanDerWaalsContact C-CD 3.42Å
213	H	95.6	Very high	97.7	Very high	72 Å²	72	42.1 Å²	42.1	33%	0.333	22%	0.224	S	C	.	.			trans	-131.5	52	-173.2	-56.3	-50.5	0	0	0	112.8	N211 D215 K216 Q217	N211-H213 PolarHBondContact OD1-N 2.79Å; H213-D215 PolarHBondContact O-N 3.14Å; H213-D215 VanDerWaalsContact O-N 3.13Å; H213-K216 HydrophobicContact CB-CB 4.4Å; H213-K216 PolarHBondContact O-N 2.86Å; H213-Q217 HydrophobicContact CB-CG 4.21Å; H213-Q217 PolarHBondContact O-N 3.03Å
214	P	95.1	Very high	97.6	Very high	85 Å²	85	42.5 Å²	42.5	55%	0.552	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.6	-178.5	30.8	-37.3	0	0	0	113.6	P36 K212	P36-P214 VanDerWaalsContact CG-O 3.27Å; P36-P214 WeakPolarHBondContact CG-O 3.47Å; K212-P214 VanDerWaalsContact C-CD 3.42Å
215	D	94.4	Very high	97.4	Very high	100 Å²	100	42.5 Å²	42.5	54%	0.535	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.3	173.5	63.3	-50.8	0	0	0	113.5	P36 H213	P36-D215 WeakPolarHBondContact CB-O 3.45Å; H213-D215 PolarHBondContact O-N 3.14Å; H213-D215 VanDerWaalsContact O-N 3.13Å
216	K	94.5	Very high	97.1	Very high	125 Å²	125	39.8 Å²	39.8	54%	0.543	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-27.8	-176.4	-63.9	176.4	-174	178	0	114.2	P58 H213	P58-K216 WeakPolarHBondContact CG-O 3.31Å; H213-K216 HydrophobicContact CB-CB 4.4Å; H213-K216 PolarHBondContact O-N 2.86Å
217	Q	97.2	Very high	96.9	Very high	9 Å²	9	39.4 Å²	39.4	4%	0.042	22%	0.216	C	C	.	.			trans	-126.8	132.2	-174.3	-53.4	-172.8	-93.7	0	0	110.8	Q169 N170 S174 M177 N211 H213	Q169-Q217 PolarHBondContact O-NE2 3.06Å; N170-Q217 VanDerWaalsContact CA-OE1 3.31Å; N170-Q217 PolarHBondContact ND2-OE1 3.37Å; S174-Q217 VanDerWaalsContact N-NE2 3.19Å; S174-Q217 WeakPolarHBondContact O-CG 3.29Å; S174-Q217 PolarHBondContact O-NE2 3.19Å; M177-Q217 HydrophobicContact CE-CB 3.36Å; M177-Q217 HydrophobicContact CE-CG 3.98Å; M177-Q217 VanDerWaalsContact CE-NE2 3.26Å; N211-Q217 PolarHBondContact ND2-O 3.21Å; H213-Q217 HydrophobicContact CB-CG 4.21Å; H213-Q217 PolarHBondContact O-N 3.03Å
218	N	98.3	Very high	96.8	Very high	5 Å²	5	43 Å²	43	3%	0.027	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.8	-169.1	-62.6	-79.3	0	0	0	110.8	P36 L37 D175 I176 M177 F220 P245	P36-N218 WeakPolarHBondContact CG-OD1 3.3Å; L37-N218 HydrophobicContact CB-CB 4.29Å; L37-N218 VanDerWaalsContact CB-CG 3.42Å; L37-N218 WeakPolarHBondContact CB-OD1 3.32Å; L37-N218 HydrophobicContact CD1-CB 4.23Å; L37-N218 PolarHBondContact N-OD1 3.02Å; D175-N218 WeakPolarHBondContact O-CB 3.36Å; D175-N218 PolarHBondContact O-N 3.41Å; D175-N218 PolarHBondContact O-ND2 3.22Å; I176-N218 WeakPolarHBondContact CA-O 3.49Å; I176-N218 HydrophobicContact CG1-CB 4.37Å; M177-N218 PolarHBondContact N-O 2.77Å; N218-F220 HydrophobicContact CB-CE1 4.41Å; N218-P245 HydrophobicContact CB-CB 4.14Å; N218-P245 HydrophobicContact CB-CG 3.61Å
219	L	98.6	Very high	96.7	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.6	178.4	177.9	62.8	0	0	0	111.3	I166 M177 Q179 L204 C207 I208 P245	I166-L219 HydrophobicContact CD1-CD1 3.74Å; M177-L219 HydrophobicContact CG-CB 4.06Å; M177-L219 HydrophobicContact CG-CD1 3.95Å; M177-L219 CarbonylContact O-C 3.4Å; M177-L219 WeakPolarHBondContact O-CA 3.13Å; M177-L219 HydrophobicContact SD-CB 4.41Å; M177-L219 HydrophobicContact SD-CD1 4.37Å; Q179-L219 HydrophobicContact CB-CD1 4.18Å; L204-L219 HydrophobicContact CD1-CD2 4.44Å; C207-L219 HydrophobicContact CB-CD1 4.42Å; C207-L219 HydrophobicContact CB-CD2 3.85Å; I208-L219 HydrophobicContact CB-CD2 4.4Å; I208-L219 HydrophobicContact CG1-CD2 3.73Å; L219-P245 WeakPolarHBondContact O-CD 3.33Å; L219-P245 WeakPolarHBondContact O-CG 3.42Å
220	F	98.8	Very high	96.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	135.3	172.7	-80.5	30.1	0	0	0	110.6	L37 I176 M177 M178 Q179 N218 G246 P277 Y279 M299	L37-F220 HydrophobicContact CD1-CE1 3.73Å; L37-F220 HydrophobicContact CD1-CZ 3.9Å; I176-F220 HydrophobicContact CD1-CE1 4.32Å; I176-F220 HydrophobicContact CD1-CZ 3.98Å; I176-F220 HydrophobicContact CG1-CE1 4.35Å; I176-F220 HydrophobicContact CG1-CZ 4.5Å; I176-F220 HydrophobicContact CG2-CD1 3.69Å; I176-F220 HydrophobicContact CG2-CD2 4.25Å; I176-F220 HydrophobicContact CG2-CE1 3.76Å; I176-F220 HydrophobicContact CG2-CE2 4.32Å; I176-F220 HydrophobicContact CG2-CG 3.94Å; I176-F220 HydrophobicContact CG2-CZ 4.07Å; M177-F220 PolarHBondContact O-N 2.86Å; M178-F220 HydrophobicContact CE-CB 3.72Å; M178-F220 HydrophobicContact SD-CB 3.74Å; M178-F220 HydrophobicContact SD-CD2 4.49Å; M178-F220 HydrophobicContact SD-CG 4.39Å; Q179-F220 PolarHBondContact N-O 3.03Å; Q179-F220 VanDerWaalsContact N-O 3.13Å; N218-F220 HydrophobicContact CB-CE1 4.41Å; F220-G246 WeakPolarHBondContact CA-O 3.35Å; F220-P277 HydrophobicContact CE1-CG 4.27Å; F220-P277 HydrophobicContact CE2-CB 4.37Å; F220-P277 HydrophobicContact CE2-CG 3.88Å; F220-P277 HydrophobicContact CZ-CB 4.26Å; F220-P277 HydrophobicContact CZ-CG 3.41Å; F220-P277 VanDerWaalsContact CZ-CG 3.41Å; F220-Y279 HydrophobicContact CD2-CD1 4.48Å; F220-M299 HydrophobicContact CE2-SD 4.12Å; F220-M299 HydrophobicContact CZ-SD 4.44Å
221	A	98.7	Very high	96.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	152.5	167.5	0	0	0	0	0	110.6	Q179 L204 M239 V244 G246 F247 A248	Q179-A221 VanDerWaalsContact OE1-CA 3.3Å; L204-A221 HydrophobicContact CD1-CB 3.89Å; L204-A221 HydrophobicContact CD2-CB 3.63Å; L204-A221 HydrophobicContact CG-CB 4.41Å; A221-M239 HydrophobicContact CB-SD 4.12Å; A221-V244 HydrophobicContact CB-CG2 3.91Å; A221-G246 PolarHBondContact N-O 3.06Å; A221-F247 HydrophobicContact CB-CD1 3.81Å; A221-F247 HydrophobicContact CB-CE1 3.96Å; A221-A248 PolarHBondContact O-N 3.25Å
222	I	98.5	Very high	96.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	109.8	179.6	-59.2	168.7	0	0	0	109.2	M178 Q179 D181 Q224 M239 A248 M281	M178-I222 HydrophobicContact CB-CD1 4.31Å; M178-I222 HydrophobicContact CE-CD1 4.02Å; M178-I222 HydrophobicContact CE-CG1 3.54Å; Q179-I222 HydrophobicContact CG-CB 4.1Å; Q179-I222 HydrophobicContact CG-CD1 3.86Å; Q179-I222 HydrophobicContact CG-CG1 3.77Å; Q179-I222 VanDerWaalsContact O-CD1 3.3Å; Q179-I222 WeakPolarHBondContact O-CD1 3.48Å; D181-I222 HydrophobicContact CB-CD1 4.2Å; I222-Q224 PolarHBondContact O-N 2.76Å; I222-M239 WeakPolarHBondContact O-CE 3.37Å; I222-A248 HydrophobicContact CG1-CB 4.25Å; I222-M281 HydrophobicContact CD1-CE 4.33Å; I222-M281 HydrophobicContact CD1-SD 4.28Å; I222-M281 HydrophobicContact CG1-SD 4.21Å; I222-M281 HydrophobicContact CG2-SD 4.04Å
223	I	98.4	Very high	96.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121.4	176	-55	-52.8	0	0	0	109.9	R232 L236 M239 F247 A248 G250 L272	I223-R232 HydrophobicContact CG2-CG 4.21Å; I223-L236 HydrophobicContact CB-CD2 4.48Å; I223-L236 HydrophobicContact CD1-CD2 3.88Å; I223-L236 HydrophobicContact CD1-CG 4.4Å; I223-L236 HydrophobicContact CG1-CD2 3.81Å; I223-L236 HydrophobicContact CG1-CG 4.5Å; I223-L236 HydrophobicContact CG2-CD1 4.38Å; I223-L236 HydrophobicContact CG2-CD2 3.88Å; I223-L236 HydrophobicContact CG2-CG 3.73Å; I223-M239 HydrophobicContact CD1-CB 3.88Å; I223-M239 HydrophobicContact CD1-CG 4.33Å; I223-M239 HydrophobicContact CD1-SD 3.79Å; I223-F247 HydrophobicContact CD1-CD1 4.05Å; I223-A248 WeakPolarHBondContact CB-O 3.33Å; I223-A248 WeakPolarHBondContact CG1-O 3.42Å; I223-A248 PolarHBondContact N-O 3.39Å; I223-G250 PolarHBondContact O-N 3.34Å; I223-L272 HydrophobicContact CD1-CD2 4.2Å; I223-L272 HydrophobicContact CG1-CD2 4.04Å
224	Q	96.6	Very high	96.9	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.033	21%	0.206	C	C	.	.			trans	-107.9	-167.5	178.8	-70.6	-62	-20.1	0	0	111.5	D181 M197 I222 R232 C235	D181-Q224 PolarHBondContact OD2-NE2 2.84Å; M197-Q224 HydrophobicContact CB-CB 4.39Å; M197-Q224 HydrophobicContact CG-CB 4.45Å; I222-Q224 PolarHBondContact O-N 2.76Å; Q224-R232 WeakPolarHBondContact O-CA 3.43Å; Q224-C235 PolarHBondContact N-SG 3.18Å
225	G	94.1	Very high	97.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.01	18%	0.18	C	C	.	.			trans	114.6	0.4	-178.9	0	0	0	0	0	114.4	L227 D228	G225-L227 PolarHBondContact O-N 2.71Å; G225-D228 PolarHBondContact O-N 3.32Å
226	G	92.8	Very high	97.3	Very high	10 Å²	10	29.1 Å²	29.1	10%	0.103	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-135.4	179	0	0	0	0	0	112.1	R232	G226-R232 PolarHBondContact O-NE 3.07Å; G226-R232 VanDerWaalsContact O-NE 3.15Å; G226-R232 PolarHBondContact O-NH2 3.24Å
227	L	95.2	Very high	97.4	Very high	50 Å²	50	26.2 Å²	26.2	26%	0.262	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	11.5	176.1	-54.8	179	0	0	0	113.2	S186 G225 L252 E256 D260 M264	S186-L227 WeakPolarHBondContact O-CD1 3.43Å; S186-L227 WeakPolarHBondContact O-CG 3.12Å; G225-L227 PolarHBondContact O-N 2.71Å; L227-L252 HydrophobicContact CD2-CD2 3.73Å; L227-E256 HydrophobicContact CD1-CB 3.67Å; L227-E256 HydrophobicContact CD2-CB 3.95Å; L227-E256 HydrophobicContact CD2-CG 4.12Å; L227-E256 HydrophobicContact CG-CB 4.35Å; L227-D260 HydrophobicContact CD1-CB 4.02Å; L227-D260 HydrophobicContact CD2-CB 4.12Å; L227-D260 HydrophobicContact CG-CB 4.5Å; L227-M264 HydrophobicContact CD2-CG 4.08Å
228	D	96.4	Very high	97.5	Very high	76 Å²	76	29 Å²	29	41%	0.406	16%	0.158	S	C	.	.			trans	-92.6	115.6	177.5	-171.7	-55.7	0	0	0	109.9	G225 E230 L231 R232	G225-D228 PolarHBondContact O-N 3.32Å; D228-E230 VanDerWaalsContact C-N 3.32Å; D228-E230 PolarHBondContact O-N 2.75Å; D228-E230 PolarHBondContact OD1-N 3.42Å; D228-L231 HydrophobicContact CB-CB 4.03Å; D228-L231 HydrophobicContact CB-CD1 3.92Å; D228-L231 HydrophobicContact CB-CG 4.01Å; D228-L231 PolarHBondContact O-N 2.85Å; D228-L231 PolarHBondContact OD1-N 3.27Å; D228-R232 VanDerWaalsContact O-CB 3.26Å; D228-R232 WeakPolarHBondContact O-CB 3.35Å; D228-R232 PolarHBondContact O-N 2.83Å
229	A	97.1	Very high	97.5	Very high	42 Å²	42	28.7 Å²	28.7	35%	0.347	16%	0.157	S	C	.	.	H	α-helix	trans	-62.5	-38.3	-176.1	0	0	0	0	0	112.6	K233 M264 L267	A229-K233 VanDerWaalsContact O-CB 3.29Å; A229-K233 WeakPolarHBondContact O-CB 3.33Å; A229-K233 PolarHBondContact O-N 3.24Å; A229-M264 HydrophobicContact CB-CE 4.05Å; A229-L267 HydrophobicContact CB-CD2 3.94Å; A229-L267 WeakPolarHBondContact O-CD2 3.47Å
230	E	97.8	Very high	97.5	Very high	141 Å²	141	30.7 Å²	30.7	66%	0.659	17%	0.169	S	C	*	.	H	α-helix	trans	-72.7	-44	-177.9	-63.6	-56.2	130.7	0	0	110.5	D228 R232 K233 A234	D228-E230 VanDerWaalsContact C-N 3.32Å; D228-E230 PolarHBondContact O-N 2.75Å; D228-E230 PolarHBondContact OD1-N 3.42Å; E230-R232 VanDerWaalsContact C-N 3.34Å; E230-R232 PolarHBondContact O-N 3.35Å; E230-K233 PolarHBondContact O-N 3.17Å; E230-A234 WeakPolarHBondContact O-CB 3.42Å; E230-A234 PolarHBondContact O-N 3.31Å
231	L	97.9	Very high	97.5	Very high	25 Å²	25	37.4 Å²	37.4	13%	0.131	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-39.9	175.9	-64.1	-179	0	0	0	111.9	V193 E194 M197 D228 A234 C235	V193-L231 HydrophobicContact CB-CD1 4.14Å; V193-L231 HydrophobicContact CG1-CD1 3.86Å; E194-L231 HydrophobicContact CB-CD1 3.97Å; E194-L231 HydrophobicContact CB-CD2 3.87Å; E194-L231 HydrophobicContact CG-CD2 3.82Å; M197-L231 HydrophobicContact CE-CD2 3.95Å; D228-L231 HydrophobicContact CB-CB 4.03Å; D228-L231 HydrophobicContact CB-CD1 3.92Å; D228-L231 HydrophobicContact CB-CG 4.01Å; D228-L231 PolarHBondContact O-N 2.85Å; D228-L231 PolarHBondContact OD1-N 3.27Å; L231-A234 PolarHBondContact O-N 3.26Å; L231-C235 WeakPolarHBondContact O-CB 3.32Å; L231-C235 PolarHBondContact O-N 3.13Å
232	R	97.9	Very high	97.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-42.7	176.5	-176.3	167.7	-72.8	-82.8	-1.7	111.3	I223 Q224 G226 D228 E230 C235 L236 G250 L267 S268	I223-R232 HydrophobicContact CG2-CG 4.21Å; Q224-R232 WeakPolarHBondContact O-CA 3.43Å; G226-R232 PolarHBondContact O-NE 3.07Å; G226-R232 VanDerWaalsContact O-NE 3.15Å; G226-R232 PolarHBondContact O-NH2 3.24Å; D228-R232 VanDerWaalsContact O-CB 3.26Å; D228-R232 WeakPolarHBondContact O-CB 3.35Å; D228-R232 PolarHBondContact O-N 2.83Å; E230-R232 VanDerWaalsContact C-N 3.34Å; E230-R232 PolarHBondContact O-N 3.35Å; R232-C235 WeakPolarHBondContact O-CB 3.25Å; R232-C235 PolarHBondContact O-N 3.5Å; R232-L236 HydrophobicContact CG-CD1 4.07Å; R232-L236 WeakPolarHBondContact O-CD1 3.28Å; R232-L236 WeakPolarHBondContact O-CG 3.1Å; R232-L236 PolarHBondContact O-N 3.43Å; R232-G250 PolarHBondContact NH2-O 3.22Å; R232-G250 VanDerWaalsContact NH2-O 3.08Å; R232-L267 HydrophobicContact CB-CD2 4.15Å; R232-L267 HydrophobicContact CG-CD2 4.19Å; R232-S268 WeakPolarHBondContact CD-OG 3.26Å; R232-S268 PolarHBondContact NH1-OG 3.25Å
233	K	98.4	Very high	97.3	Very high	72 Å²	72	46.7 Å²	46.7	31%	0.313	25%	0.245	S	C	.	.	H	α-helix	trans	-62.8	-45.3	174.3	-172.2	179	179.5	-63.5	0	111.9	A229 E230 C235 L236 D237	A229-K233 VanDerWaalsContact O-CB 3.29Å; A229-K233 WeakPolarHBondContact O-CB 3.33Å; A229-K233 PolarHBondContact O-N 3.24Å; E230-K233 PolarHBondContact O-N 3.17Å; K233-C235 VanDerWaalsContact C-N 3.27Å; K233-C235 PolarHBondContact O-N 2.95Å; K233-L236 WeakPolarHBondContact O-CB 3.17Å; K233-L236 PolarHBondContact O-N 3.25Å; K233-D237 IonicContact NZ-OD1 3.67Å; K233-D237 IonicContact NZ-OD2 2.63Å; K233-D237 PolarHBondContact NZ-OD2 3.25Å; K233-D237 WeakPolarHBondContact O-CB 3.07Å; K233-D237 VanDerWaalsContact O-CG 3.3Å; K233-D237 PolarHBondContact O-N 2.61Å
234	A	98.4	Very high	97.3	Very high	39 Å²	39	47 Å²	47	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-59	-40.6	174.9	0	0	0	0	0	111.8	M197 E230 L231 D237 E238	M197-A234 HydrophobicContact CE-CB 4.38Å; E230-A234 WeakPolarHBondContact O-CB 3.42Å; E230-A234 PolarHBondContact O-N 3.31Å; L231-A234 PolarHBondContact O-N 3.26Å; A234-D237 PolarHBondContact O-N 3.38Å; A234-E238 WeakPolarHBondContact O-CB 3.26Å; A234-E238 WeakPolarHBondContact O-CG 3.41Å; A234-E238 PolarHBondContact O-N 3.05Å
235	C	98.5	Very high	97.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-44.5	175.2	-166	0	0	0	0	112.3	M197 Q224 L231 R232 K233 E238 M239	M197-C235 HydrophobicContact CG-CB 3.63Å; M197-C235 HydrophobicContact SD-CB 4.06Å; Q224-C235 PolarHBondContact N-SG 3.18Å; L231-C235 WeakPolarHBondContact O-CB 3.32Å; L231-C235 PolarHBondContact O-N 3.13Å; R232-C235 WeakPolarHBondContact O-CB 3.25Å; R232-C235 PolarHBondContact O-N 3.5Å; K233-C235 VanDerWaalsContact C-N 3.27Å; K233-C235 PolarHBondContact O-N 2.95Å; C235-E238 PolarHBondContact O-N 3.44Å; C235-M239 WeakPolarHBondContact O-CB 2.93Å; C235-M239 WeakPolarHBondContact O-CG 3.49Å; C235-M239 PolarHBondContact O-N 3.4Å
236	L	98.5	Very high	97.5	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-51.2	175.1	-74.8	152.1	0	0	0	111.3	I223 R232 K233 E238 M239 T240 H271 L272	I223-L236 HydrophobicContact CB-CD2 4.48Å; I223-L236 HydrophobicContact CD1-CD2 3.88Å; I223-L236 HydrophobicContact CD1-CG 4.4Å; I223-L236 HydrophobicContact CG1-CD2 3.81Å; I223-L236 HydrophobicContact CG1-CG 4.5Å; I223-L236 HydrophobicContact CG2-CD1 4.38Å; I223-L236 HydrophobicContact CG2-CD2 3.88Å; I223-L236 HydrophobicContact CG2-CG 3.73Å; R232-L236 HydrophobicContact CG-CD1 4.07Å; R232-L236 WeakPolarHBondContact O-CD1 3.28Å; R232-L236 WeakPolarHBondContact O-CG 3.1Å; R232-L236 PolarHBondContact O-N 3.43Å; K233-L236 WeakPolarHBondContact O-CB 3.17Å; K233-L236 PolarHBondContact O-N 3.25Å; L236-E238 PolarHBondContact O-N 2.85Å; L236-M239 PolarHBondContact O-N 3.04Å; L236-T240 WeakPolarHBondContact O-CB 3.29Å; L236-T240 WeakPolarHBondContact O-CG2 3.34Å; L236-T240 PolarHBondContact O-N 2.77Å; L236-T240 PolarHBondContact O-OG1 2.53Å; L236-H271 HydrophobicContact CB-CB 4.24Å; L236-H271 HydrophobicContact CD1-CB 4.01Å; L236-H271 HydrophobicContact CD2-CB 4.21Å; L236-H271 HydrophobicContact CG-CB 4.37Å; L236-L272 HydrophobicContact CD2-CD2 3.69Å; L236-L272 HydrophobicContact CD2-CG 3.78Å
237	D	98.4	Very high	97.8	Very high	64 Å²	64	48 Å²	48	34%	0.342	25%	0.251	S	S	.	.	H	α-helix	trans	-60.2	-35.6	-178.8	-70.2	-18.7	0	0	0	111.3	K233 A234 K241	K233-D237 IonicContact NZ-OD1 3.67Å; K233-D237 IonicContact NZ-OD2 2.63Å; K233-D237 PolarHBondContact NZ-OD2 3.25Å; K233-D237 WeakPolarHBondContact O-CB 3.07Å; K233-D237 VanDerWaalsContact O-CG 3.3Å; K233-D237 PolarHBondContact O-N 2.61Å; A234-D237 PolarHBondContact O-N 3.38Å; D237-K241 VanDerWaalsContact O-CE 3.26Å; D237-K241 WeakPolarHBondContact O-CE 3.38Å; D237-K241 WeakPolarHBondContact O-CG 3.32Å
238	E	98.5	Very high	98	Very high	67 Å²	67	45.6 Å²	45.6	31%	0.313	24%	0.238	S	C	.	.	H	α-helix	trans	-79	-49.8	176.5	-74.2	-55.4	137.6	0	0	113.7	I201 A234 C235 L236 T240 K241 R242	I201-E238 HydrophobicContact CD1-CB 3.73Å; I201-E238 HydrophobicContact CD1-CG 4.09Å; I201-E238 HydrophobicContact CG1-CB 4.34Å; I201-E238 HydrophobicContact CG2-CB 4.33Å; A234-E238 WeakPolarHBondContact O-CB 3.26Å; A234-E238 WeakPolarHBondContact O-CG 3.41Å; A234-E238 PolarHBondContact O-N 3.05Å; C235-E238 PolarHBondContact O-N 3.44Å; L236-E238 PolarHBondContact O-N 2.85Å; E238-T240 VanDerWaalsContact C-N 3.31Å; E238-T240 PolarHBondContact O-N 2.76Å; E238-K241 WeakPolarHBondContact O-CB 3.49Å; E238-K241 PolarHBondContact O-N 2.75Å; E238-K241 IonicContact OE1-NZ 3.66Å; E238-K241 PolarHBondContact OE1-NZ 3Å; E238-K241 IonicContact OE2-NZ 3.74Å; E238-K241 PolarHBondContact OE2-NZ 2.92Å; E238-R242 PolarHBondContact O-NH1 2.75Å; E238-R242 IonicContact OE2-NH1 3.57Å; E238-R242 PolarHBondContact OE2-NH1 3.29Å
239	M	98.4	Very high	98.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.4	-32.3	-174.5	-72.2	-165.4	171.2	0	0	112.4	I201 L204 A221 I222 I223 C235 L236 K241 R242 F247	I201-M239 HydrophobicContact CG1-CE 3.91Å; I201-M239 HydrophobicContact CG1-CG 4.14Å; L204-M239 HydrophobicContact CD2-CB 4.36Å; L204-M239 HydrophobicContact CD2-CG 4.09Å; L204-M239 HydrophobicContact CD2-SD 4.39Å; A221-M239 HydrophobicContact CB-SD 4.12Å; I222-M239 WeakPolarHBondContact O-CE 3.37Å; I223-M239 HydrophobicContact CD1-CB 3.88Å; I223-M239 HydrophobicContact CD1-CG 4.33Å; I223-M239 HydrophobicContact CD1-SD 3.79Å; C235-M239 WeakPolarHBondContact O-CB 2.93Å; C235-M239 WeakPolarHBondContact O-CG 3.49Å; C235-M239 PolarHBondContact O-N 3.4Å; L236-M239 PolarHBondContact O-N 3.04Å; M239-K241 PolarHBondContact O-N 3.45Å; M239-R242 PolarHBondContact O-N 3.3Å; M239-R242 VanDerWaalsContact O-N 3.07Å; M239-F247 HydrophobicContact CB-CE1 4.32Å
240	T	98.1	Very high	98	Very high	49 Å²	49	40.1 Å²	40.1	30%	0.301	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.6	178.8	56.1	0	0	0	0	113.9	L236 E238 R242 F247 L272 P273	L236-T240 WeakPolarHBondContact O-CB 3.29Å; L236-T240 WeakPolarHBondContact O-CG2 3.34Å; L236-T240 PolarHBondContact O-N 2.77Å; L236-T240 PolarHBondContact O-OG1 2.53Å; E238-T240 VanDerWaalsContact C-N 3.31Å; E238-T240 PolarHBondContact O-N 2.76Å; T240-R242 PolarHBondContact O-N 3.3Å; T240-F247 HydrophobicContact CG2-CE1 4.25Å; T240-F247 HydrophobicContact CG2-CZ 4.16Å; T240-L272 HydrophobicContact CG2-CD2 4.45Å; T240-P273 HydrophobicContact CG2-CG 4.17Å
241	K	98.3	Very high	97.5	Very high	141 Å²	141	34.3 Å²	34.3	61%	0.613	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.4	169.4	-61.3	170.8	-174.1	173.7	0	112.8	D237 E238 M239	D237-K241 VanDerWaalsContact O-CE 3.26Å; D237-K241 WeakPolarHBondContact O-CE 3.38Å; D237-K241 WeakPolarHBondContact O-CG 3.32Å; E238-K241 WeakPolarHBondContact O-CB 3.49Å; E238-K241 PolarHBondContact O-N 2.75Å; E238-K241 IonicContact OE1-NZ 3.66Å; E238-K241 PolarHBondContact OE1-NZ 3Å; E238-K241 IonicContact OE2-NZ 3.74Å; E238-K241 PolarHBondContact OE2-NZ 2.92Å; M239-K241 PolarHBondContact O-N 3.45Å
242	R	98	Very high	97.1	Very high	47 Å²	47	33.2 Å²	33.2	18%	0.177	18%	0.177	C	C	.	.	S	Bend	trans	-90.8	133.2	178.1	-71.6	74.5	171.2	171.1	2.2	109.6	L204 D205 I208 E238 M239 T240 V244	L204-R242 HydrophobicContact CD2-CB 4.37Å; L204-R242 HydrophobicContact CD2-CG 4.25Å; D205-R242 IonicContact OD1-CZ 3.79Å; D205-R242 IonicContact OD1-NE 3.84Å; D205-R242 PolarHBondContact OD1-NE 2.81Å; D205-R242 IonicContact OD1-NH2 3.78Å; D205-R242 PolarHBondContact OD1-NH2 3.36Å; D205-R242 IonicContact OD2-CZ 2.71Å; D205-R242 IonicContact OD2-NE 3.97Å; D205-R242 IonicContact OD2-NH2 2.82Å; D205-R242 PolarHBondContact OD2-NH2 2.92Å; I208-R242 HydrophobicContact CD1-CB 3.99Å; I208-R242 HydrophobicContact CD1-CG 3.87Å; E238-R242 PolarHBondContact O-NH1 2.75Å; E238-R242 IonicContact OE2-NH1 3.57Å; E238-R242 PolarHBondContact OE2-NH1 3.29Å; M239-R242 PolarHBondContact O-N 3.3Å; M239-R242 VanDerWaalsContact O-N 3.07Å; T240-R242 PolarHBondContact O-N 3.3Å; R242-V244 VanDerWaalsContact C-N 3.27Å; R242-V244 HydrophobicContact CB-CG1 4.45Å; R242-V244 PolarHBondContact O-N 3.03Å
243	D	95.6	Very high	96.1	Very high	149 Å²	149	36.1 Å²	36.1	80%	0.797	20%	0.197	S	C	*	.			trans	-82.5	71.1	178.4	-168.4	25.8	0	0	0	112.1	K276	D243-K276 IonicContact OD1-NZ 2.8Å; D243-K276 PolarHBondContact OD1-NZ 2.94Å
244	V	97.7	Very high	94.8	Very high	5 Å²	5	35 Å²	35	3%	0.03	21%	0.205	C	C	.	.			trans	-93.2	145.9	173.5	-68.5	0	0	0	0	111.4	L204 I208 A221 R242 G246 F247 K276	L204-V244 HydrophobicContact CD1-CG1 4.29Å; I208-V244 HydrophobicContact CD1-CG1 4Å; I208-V244 HydrophobicContact CG1-CG1 4.25Å; A221-V244 HydrophobicContact CB-CG2 3.91Å; R242-V244 VanDerWaalsContact C-N 3.27Å; R242-V244 HydrophobicContact CB-CG1 4.45Å; R242-V244 PolarHBondContact O-N 3.03Å; V244-G246 WeakPolarHBondContact CG2-O 3.1Å; V244-G246 PolarHBondContact O-N 3.33Å; V244-G246 VanDerWaalsContact O-N 3.17Å; V244-F247 HydrophobicContact CG2-CD1 4.21Å; V244-F247 HydrophobicContact CG2-CE1 3.61Å; V244-F247 HydrophobicContact CG2-CE2 4.01Å; V244-F247 HydrophobicContact CG2-CZ 3.49Å; V244-F247 VanDerWaalsContact CG2-CZ 3.49Å; V244-K276 VanDerWaalsContact O-CD 3.29Å; V244-K276 WeakPolarHBondContact O-CD 3.17Å; V244-K276 WeakPolarHBondContact O-CE 3.43Å; V244-K276 PolarHBondContact O-NZ 3.1Å
245	P	97.8	Very high	93.9	Very high	38 Å²	38	36 Å²	36	25%	0.247	22%	0.219	C	C	.	.	S	Bend	trans	-66	-14.8	-176.7	23.6	-35.8	0	0	0	115.2	L37 N218 L219 P277	L37-P245 HydrophobicContact CB-CB 4.27Å; L37-P245 HydrophobicContact CD1-CB 4.41Å; N218-P245 HydrophobicContact CB-CB 4.14Å; N218-P245 HydrophobicContact CB-CG 3.61Å; L219-P245 WeakPolarHBondContact O-CD 3.33Å; L219-P245 WeakPolarHBondContact O-CG 3.42Å; P245-P277 VanDerWaalsContact O-CD 3.28Å; P245-P277 WeakPolarHBondContact O-CD 3.26Å
246	G	98.4	Very high	93.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	168.8	178.5	0	0	0	0	0	113.6	F220 A221 V244	F220-G246 WeakPolarHBondContact CA-O 3.35Å; A221-G246 PolarHBondContact N-O 3.06Å; V244-G246 WeakPolarHBondContact CG2-O 3.1Å; V244-G246 PolarHBondContact O-N 3.33Å; V244-G246 VanDerWaalsContact O-N 3.17Å
247	F	98.8	Very high	93.2	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135	-177.3	-66.6	-88.3	0	0	0	110.9	A221 I223 M239 T240 V244 L272 P273 K276 P277 R278 Y279	A221-F247 HydrophobicContact CB-CD1 3.81Å; A221-F247 HydrophobicContact CB-CE1 3.96Å; I223-F247 HydrophobicContact CD1-CD1 4.05Å; M239-F247 HydrophobicContact CB-CE1 4.32Å; T240-F247 HydrophobicContact CG2-CE1 4.25Å; T240-F247 HydrophobicContact CG2-CZ 4.16Å; V244-F247 HydrophobicContact CG2-CD1 4.21Å; V244-F247 HydrophobicContact CG2-CE1 3.61Å; V244-F247 HydrophobicContact CG2-CE2 4.01Å; V244-F247 HydrophobicContact CG2-CZ 3.49Å; V244-F247 VanDerWaalsContact CG2-CZ 3.49Å; F247-L272 HydrophobicContact CB-CD1 4.09Å; F247-L272 HydrophobicContact CB-CD2 3.45Å; F247-L272 VanDerWaalsContact CB-CD2 3.45Å; F247-L272 HydrophobicContact CB-CG 4.39Å; F247-L272 HydrophobicContact CD1-CD2 3.88Å; F247-L272 HydrophobicContact CD2-CD2 3.98Å; F247-L272 HydrophobicContact CG-CD2 3.5Å; F247-P273 HydrophobicContact CD2-CG 4.44Å; F247-P273 HydrophobicContact CE2-CG 3.83Å; F247-P273 HydrophobicContact CZ-CG 4.49Å; F247-K276 HydrophobicContact CD2-CB 4.25Å; F247-K276 HydrophobicContact CD2-CD 4.15Å; F247-K276 HydrophobicContact CE2-CB 4.5Å; F247-K276 HydrophobicContact CE2-CD 3.59Å; F247-P277 PolarHBondContact N-O 3.05Å; F247-P277 VanDerWaalsContact N-O 3.13Å; F247-R278 WeakPolarHBondContact O-CA 3.18Å; F247-Y279 PolarHBondContact O-N 3.37Å
248	A	98.6	Very high	93.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	153.3	169.8	0	0	0	0	0	111.6	M178 A221 I222 I223 Y279 M281	M178-A248 HydrophobicContact CE-CB 3.3Å; A221-A248 PolarHBondContact O-N 3.25Å; I222-A248 HydrophobicContact CG1-CB 4.25Å; I223-A248 WeakPolarHBondContact CB-O 3.33Å; I223-A248 WeakPolarHBondContact CG1-O 3.42Å; I223-A248 PolarHBondContact N-O 3.39Å; A248-Y279 CarbonylContact C-O 3.57Å; A248-Y279 WeakPolarHBondContact CA-O 3.47Å; A248-Y279 HydrophobicContact CB-CD1 3.74Å; A248-Y279 HydrophobicContact CB-CE1 4.48Å; A248-Y279 HydrophobicContact CB-CG 4.15Å; A248-Y279 WeakPolarHBondContact CB-O 3.49Å; A248-M281 HydrophobicContact CB-CG 3.99Å; A248-M281 HydrophobicContact CB-SD 3.77Å
249	I	98.4	Very high	92.9	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	106.1	176	-56.7	169.2	0	0	0	106.4	L252 T269 L272 Y279 L280 M281	I249-L252 HydrophobicContact CG2-CD1 3.58Å; I249-L252 HydrophobicContact CG2-CG 4.44Å; I249-T269 HydrophobicContact CD1-CG2 3.99Å; I249-L272 HydrophobicContact CD1-CD1 4.22Å; I249-L272 HydrophobicContact CG1-CD1 4.02Å; I249-Y279 PolarHBondContact N-O 2.96Å; I249-L280 HydrophobicContact CB-CD1 3.82Å; I249-L280 HydrophobicContact CG2-CD1 3.84Å; I249-M281 PolarHBondContact O-N 3.06Å
250	G	94.5	Very high	92.8	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.031	27%	0.269	C	S	.	.			trans	-99.2	166.8	-178	0	0	0	0	0	113.5	I223 R232 L252	I223-G250 PolarHBondContact O-N 3.34Å; R232-G250 PolarHBondContact NH2-O 3.22Å; R232-G250 VanDerWaalsContact NH2-O 3.08Å; G250-L252 PolarHBondContact O-N 3.36Å
251	G	88	Confident	92.7	Very high	20 Å²	20	44 Å²	44	21%	0.206	26%	0.255	C	S	.	.	S	Bend	trans	72.5	21.1	172	0	0	0	0	0	115.4	S186	S186-G251 WeakPolarHBondContact CB-O 3.49Å
252	L	88.9	Confident	92.7	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	23%	0.229	C	C	.	.			trans	-127.3	41.3	-176.7	-61.5	-178.1	0	0	0	112.1	L227 I249 G250 F261 M264 V265	L227-L252 HydrophobicContact CD2-CD2 3.73Å; I249-L252 HydrophobicContact CG2-CD1 3.58Å; I249-L252 HydrophobicContact CG2-CG 4.44Å; G250-L252 PolarHBondContact O-N 3.36Å; L252-F261 HydrophobicContact CB-CD2 3.88Å; L252-F261 HydrophobicContact CB-CE2 4.05Å; L252-F261 VanDerWaalsContact O-CD2 3.26Å; L252-F261 WeakPolarHBondContact O-CD2 3.33Å; L252-F261 WeakPolarHBondContact O-CE2 3.36Å; L252-M264 HydrophobicContact CD1-CB 3.61Å; L252-M264 HydrophobicContact CD2-CB 3.59Å; L252-M264 HydrophobicContact CD2-CG 4Å; L252-M264 HydrophobicContact CG-CB 4.27Å; L252-V265 HydrophobicContact CD1-CG2 3.83Å
253	S	78.1	Confident	92.7	Very high	61 Å²	61	40.6 Å²	40.6	43%	0.427	24%	0.238	S	C	.	.	S	Bend	trans	-149	32.4	176.6	75	0	0	0	0	112	E256	S253-E256 PolarHBondContact N-OE1 2.97Å
254	G	69.9	Low	92.8	Very high	47 Å²	47	34.3 Å²	34.3	49%	0.485	20%	0.204	S	C	.	.	S	Bend	trans	-117.4	1.4	-161.9	0	0	0	0	0	116.2	E256	G254-E256 WeakPolarHBondContact CA-OE2 3.44Å; G254-E256 PolarHBondContact N-OE2 3.14Å
255	G	79.8	Confident	92.9	Very high	60 Å²	60	34.1 Å²	34.1	62%	0.619	20%	0.203	S	C	*	.	S	Bend	trans	111.7	11.5	-179.2	0	0	0	0	0	114.4
256	E	90.1	Very high	92.9	Very high	24 Å²	24	33.2 Å²	33.2	11%	0.112	20%	0.197	C	C	.	.			trans	-60.9	153.7	168.4	66.6	-74.2	170.8	0	0	112.6	S186 L227 S253 G254 F261	S186-E256 VanDerWaalsContact CB-OE2 3.28Å; S186-E256 WeakPolarHBondContact CB-OE2 3.22Å; S186-E256 PolarHBondContact OG-OE2 2.69Å; L227-E256 HydrophobicContact CD1-CB 3.67Å; L227-E256 HydrophobicContact CD2-CB 3.95Å; L227-E256 HydrophobicContact CD2-CG 4.12Å; L227-E256 HydrophobicContact CG-CB 4.35Å; S253-E256 PolarHBondContact N-OE1 2.97Å; G254-E256 WeakPolarHBondContact CA-OE2 3.44Å; G254-E256 PolarHBondContact N-OE2 3.14Å; E256-F261 HydrophobicContact CG-CB 3.83Å; E256-F261 WeakPolarHBondContact OE1-CD2 3.14Å
257	E	93.6	Very high	92.9	Very high	139 Å²	139	34.8 Å²	34.8	65%	0.65	21%	0.205	S	C	*	.			trans	-64.9	145	171.2	-68.1	-57.3	144.1	0	0	110.4	D259 D260 F261	E257-D259 PolarHBondContact O-N 2.92Å; E257-D260 PolarHBondContact O-N 2.96Å; E257-D260 VanDerWaalsContact O-N 3.12Å; E257-F261 PolarHBondContact O-N 3.11Å
258	K	95.2	Very high	92.9	Very high	59 Å²	59	34.8 Å²	34.8	26%	0.257	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-30.1	-174.9	-76.7	-61.9	-167.2	-175.4	0	113.4	F261 W262 D288 W411	K258-F261 HydrophobicContact CD-CD1 4.21Å; K258-F261 WeakPolarHBondContact O-CB 3.34Å; K258-F261 PolarHBondContact O-N 3.34Å; K258-W262 PolarHBondContact O-N 2.99Å; K258-W262 VanDerWaalsContact O-N 3.13Å; K258-D288 IonicContact NZ-OD1 2.79Å; K258-D288 PolarHBondContact NZ-OD1 2.88Å; K258-D288 IonicContact NZ-OD2 3.15Å; K258-D288 PolarHBondContact NZ-OD2 2.76Å; K258-W411 HydrophobicContact CB-CB 3.71Å; K258-W411 VanDerWaalsContact CB-CD1 3.46Å; K258-W411 HydrophobicContact CB-CD2 3.65Å; K258-W411 HydrophobicContact CB-CE3 4.34Å; K258-W411 HydrophobicContact CB-CG 3.32Å; K258-W411 HydrophobicContact CD-CD2 4.32Å; K258-W411 HydrophobicContact CD-CZ2 4.27Å; K258-W411 HydrophobicContact CG-CD2 4.1Å; K258-W411 HydrophobicContact CG-CG 4.06Å
259	D	95.3	Very high	92.9	Very high	57 Å²	57	34.9 Å²	34.9	31%	0.305	21%	0.205	S	C	.	.	H	α-helix	trans	-68.4	-34.4	177.4	-74.6	-29.5	0	0	0	113.3	E257 R263 W411	E257-D259 PolarHBondContact O-N 2.92Å; D259-R263 VanDerWaalsContact O-CD 3.3Å; D259-R263 WeakPolarHBondContact O-CD 3.49Å; D259-R263 WeakPolarHBondContact O-CG 3.45Å; D259-R263 PolarHBondContact O-NH1 3.42Å; D259-W411 WeakPolarHBondContact OD1-CA 3.13Å; D259-W411 WeakPolarHBondContact OD1-CB 3.41Å
260	D	95.6	Very high	92.9	Very high	69 Å²	69	39.2 Å²	39.2	37%	0.369	23%	0.228	S	C	.	.	H	α-helix	trans	-77	-40.3	173.9	-64.4	-30.8	0	0	0	110.5	L227 E257 W262 R263 M264	L227-D260 HydrophobicContact CD1-CB 4.02Å; L227-D260 HydrophobicContact CD2-CB 4.12Å; L227-D260 HydrophobicContact CG-CB 4.5Å; E257-D260 PolarHBondContact O-N 2.96Å; E257-D260 VanDerWaalsContact O-N 3.12Å; D260-W262 PolarHBondContact O-N 3.42Å; D260-R263 PolarHBondContact O-N 3.08Å; D260-M264 WeakPolarHBondContact O-CG 3.43Å; D260-M264 PolarHBondContact O-N 2.82Å; D260-M264 VanDerWaalsContact O-N 3.11Å
261	F	97	Very high	93.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-52.6	-57.6	177.7	164.9	-97.7	0	0	0	112.4	L252 E256 E257 K258 R263 M264 V265 L280 V283	L252-F261 HydrophobicContact CB-CD2 3.88Å; L252-F261 HydrophobicContact CB-CE2 4.05Å; L252-F261 VanDerWaalsContact O-CD2 3.26Å; L252-F261 WeakPolarHBondContact O-CD2 3.33Å; L252-F261 WeakPolarHBondContact O-CE2 3.36Å; E256-F261 HydrophobicContact CG-CB 3.83Å; E256-F261 WeakPolarHBondContact OE1-CD2 3.14Å; E257-F261 PolarHBondContact O-N 3.11Å; K258-F261 HydrophobicContact CD-CD1 4.21Å; K258-F261 WeakPolarHBondContact O-CB 3.34Å; K258-F261 PolarHBondContact O-N 3.34Å; F261-R263 VanDerWaalsContact C-N 3.29Å; F261-R263 PolarHBondContact O-N 3.43Å; F261-M264 PolarHBondContact O-N 3.24Å; F261-V265 HydrophobicContact CD2-CG2 4.41Å; F261-V265 HydrophobicContact CE1-CG2 4.29Å; F261-V265 HydrophobicContact CE2-CG2 3.99Å; F261-V265 HydrophobicContact CZ-CG2 3.93Å; F261-V265 WeakPolarHBondContact O-CG2 3.39Å; F261-V265 PolarHBondContact O-N 3.35Å; F261-L280 HydrophobicContact CE2-CD2 4.42Å; F261-L280 HydrophobicContact CZ-CD2 4Å; F261-V283 HydrophobicContact CE2-CG2 3.89Å; F261-V283 HydrophobicContact CZ-CG2 3.91Å
262	W	97.8	Very high	93.6	Very high	21 Å²	21	42 Å²	42	8%	0.08	24%	0.235	C	C	.	.	H	α-helix	trans	-69.6	-30.8	-172.2	76.7	-105.5	0	0	0	111.9	K258 D260 V265 T266 L295 W411 E414 A415	K258-W262 PolarHBondContact O-N 2.99Å; K258-W262 VanDerWaalsContact O-N 3.13Å; D260-W262 PolarHBondContact O-N 3.42Å; W262-V265 PolarHBondContact O-N 3.33Å; W262-T266 HydrophobicContact CE3-CG2 4.18Å; W262-T266 HydrophobicContact CZ3-CG2 4.12Å; W262-T266 PolarHBondContact O-N 2.88Å; W262-L295 HydrophobicContact CB-CD1 4.14Å; W262-W411 HydrophobicContact CB-CE3 4.41Å; W262-E414 HydrophobicContact CZ2-CB 3.94Å; W262-A415 HydrophobicContact CB-CB 3.99Å; W262-A415 HydrophobicContact CD2-CB 3.57Å; W262-A415 HydrophobicContact CE3-CB 3.79Å; W262-A415 HydrophobicContact CG-CB 3.65Å; W262-A415 HydrophobicContact CZ3-CB 4.47Å
263	R	98.2	Very high	94	Very high	96 Å²	96	43.9 Å²	43.9	36%	0.362	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-39.3	175.1	-70.4	178.3	-167.6	125.2	6.4	111.8	D259 D260 F261 T266 L267 E414	D259-R263 VanDerWaalsContact O-CD 3.3Å; D259-R263 WeakPolarHBondContact O-CD 3.49Å; D259-R263 WeakPolarHBondContact O-CG 3.45Å; D259-R263 PolarHBondContact O-NH1 3.42Å; D260-R263 PolarHBondContact O-N 3.08Å; F261-R263 VanDerWaalsContact C-N 3.29Å; F261-R263 PolarHBondContact O-N 3.43Å; R263-T266 WeakPolarHBondContact O-CG2 3.43Å; R263-L267 WeakPolarHBondContact O-CB 3.5Å; R263-L267 PolarHBondContact O-N 2.78Å; R263-E414 IonicContact NH2-OE2 2.84Å; R263-E414 PolarHBondContact NH2-OE2 2.82Å; R263-E414 VanDerWaalsContact NH2-OE2 3.13Å
264	M	98.1	Very high	94.9	Very high	17 Å²	17	46.3 Å²	46.3	8%	0.084	25%	0.248	C	C	.	.	H	α-helix	trans	-71.4	-33.9	174.5	-67.7	-57.3	100.7	0	0	112.8	L227 A229 L252 D260 F261 L267 S268	L227-M264 HydrophobicContact CD2-CG 4.08Å; A229-M264 HydrophobicContact CB-CE 4.05Å; L252-M264 HydrophobicContact CD1-CB 3.61Å; L252-M264 HydrophobicContact CD2-CB 3.59Å; L252-M264 HydrophobicContact CD2-CG 4Å; L252-M264 HydrophobicContact CG-CB 4.27Å; D260-M264 WeakPolarHBondContact O-CG 3.43Å; D260-M264 PolarHBondContact O-N 2.82Å; D260-M264 VanDerWaalsContact O-N 3.11Å; F261-M264 PolarHBondContact O-N 3.24Å; M264-L267 HydrophobicContact CE-CD2 4.19Å; M264-L267 HydrophobicContact SD-CD2 4.3Å; M264-S268 WeakPolarHBondContact O-CB 3.23Å; M264-S268 PolarHBondContact O-N 3.34Å; M264-S268 PolarHBondContact O-OG 3Å
265	V	98.5	Very high	96.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-49.3	173.2	173.9	0	0	0	0	111	L252 F261 W262 S268 T269 L280 L295	L252-V265 HydrophobicContact CD1-CG2 3.83Å; F261-V265 HydrophobicContact CD2-CG2 4.41Å; F261-V265 HydrophobicContact CE1-CG2 4.29Å; F261-V265 HydrophobicContact CE2-CG2 3.99Å; F261-V265 HydrophobicContact CZ-CG2 3.93Å; F261-V265 WeakPolarHBondContact O-CG2 3.39Å; F261-V265 PolarHBondContact O-N 3.35Å; W262-V265 PolarHBondContact O-N 3.33Å; V265-S268 PolarHBondContact O-N 3.2Å; V265-T269 HydrophobicContact CG1-CG2 4.45Å; V265-T269 WeakPolarHBondContact O-CG2 3.46Å; V265-T269 PolarHBondContact O-N 3.06Å; V265-T269 PolarHBondContact O-OG1 3.25Å; V265-L280 HydrophobicContact CG1-CD2 4.44Å; V265-L280 HydrophobicContact CG2-CD1 3.98Å; V265-L280 HydrophobicContact CG2-CD2 4.01Å; V265-L295 HydrophobicContact CB-CD1 4.12Å; V265-L295 HydrophobicContact CG1-CB 4.04Å; V265-L295 HydrophobicContact CG1-CD1 3.86Å
266	T	98.3	Very high	97.1	Very high	20 Å²	20	48.4 Å²	48.4	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-43.6	178.1	-172.3	0	0	0	0	111.5	K49 W262 R263 S268 T269 D270	K49-T266 PolarHBondContact NZ-OG1 3.33Å; W262-T266 HydrophobicContact CE3-CG2 4.18Å; W262-T266 HydrophobicContact CZ3-CG2 4.12Å; W262-T266 PolarHBondContact O-N 2.88Å; R263-T266 WeakPolarHBondContact O-CG2 3.43Å; T266-S268 VanDerWaalsContact C-N 3.27Å; T266-S268 PolarHBondContact O-N 3.42Å; T266-T269 WeakPolarHBondContact CA-OG1 3.28Å; T266-T269 PolarHBondContact O-N 2.98Å; T266-T269 PolarHBondContact O-OG1 2.93Å; T266-D270 WeakPolarHBondContact O-CB 3.48Å; T266-D270 PolarHBondContact O-N 3.34Å; T266-D270 VanDerWaalsContact O-OD2 3.06Å; T266-D270 PolarHBondContact OG1-OD2 2.62Å
267	L	98.6	Very high	97.5	Very high	33 Å²	33	47.2 Å²	47.2	17%	0.173	22%	0.223	C	C	.	.	H	α-helix	trans	-55.8	-44.7	176.7	177.3	65.3	0	0	0	111.4	A229 R232 R263 M264 H271	A229-L267 HydrophobicContact CB-CD2 3.94Å; A229-L267 WeakPolarHBondContact O-CD2 3.47Å; R232-L267 HydrophobicContact CB-CD2 4.15Å; R232-L267 HydrophobicContact CG-CD2 4.19Å; R263-L267 WeakPolarHBondContact O-CB 3.5Å; R263-L267 PolarHBondContact O-N 2.78Å; M264-L267 HydrophobicContact CE-CD2 4.19Å; M264-L267 HydrophobicContact SD-CD2 4.3Å; L267-H271 PolarHBondContact O-ND1 3.49Å
268	S	98.6	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-49.7	179.5	-54.4	0	0	0	0	111.8	R232 M264 V265 T266 D270 H271 L272	R232-S268 WeakPolarHBondContact CD-OG 3.26Å; R232-S268 PolarHBondContact NH1-OG 3.25Å; M264-S268 WeakPolarHBondContact O-CB 3.23Å; M264-S268 PolarHBondContact O-N 3.34Å; M264-S268 PolarHBondContact O-OG 3Å; V265-S268 PolarHBondContact O-N 3.2Å; T266-S268 VanDerWaalsContact C-N 3.27Å; T266-S268 PolarHBondContact O-N 3.42Å; S268-D270 VanDerWaalsContact C-N 3.26Å; S268-D270 PolarHBondContact O-N 2.95Å; S268-H271 PolarHBondContact O-N 2.84Å; S268-L272 WeakPolarHBondContact O-CB 3.45Å; S268-L272 VanDerWaalsContact O-CG 3.25Å; S268-L272 WeakPolarHBondContact O-CG 3.38Å; S268-L272 PolarHBondContact O-N 2.82Å
269	T	98.6	Very high	97.9	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-66.9	-25.7	-176.5	48	0	0	0	0	113.5	I249 V265 T266 R278 L295	I249-T269 HydrophobicContact CD1-CG2 3.99Å; V265-T269 HydrophobicContact CG1-CG2 4.45Å; V265-T269 WeakPolarHBondContact O-CG2 3.46Å; V265-T269 PolarHBondContact O-N 3.06Å; V265-T269 PolarHBondContact O-OG1 3.25Å; T266-T269 WeakPolarHBondContact CA-OG1 3.28Å; T266-T269 PolarHBondContact O-N 2.98Å; T266-T269 PolarHBondContact O-OG1 2.93Å; T269-R278 PolarHBondContact O-NH2 3.33Å; T269-L295 WeakPolarHBondContact CB-O 3.42Å; T269-L295 PolarHBondContact OG1-O 2.67Å
270	D	98.2	Very high	98.1	Very high	91 Å²	91	36.2 Å²	36.2	49%	0.487	17%	0.169	S	C	.	.	H	α-helix	trans	-71	-29	174.2	-74.4	-29.7	0	0	0	113.6	K49 T266 S268	K49-D270 WeakPolarHBondContact CE-OD1 3.37Å; K49-D270 IonicContact NZ-OD1 3.71Å; K49-D270 PolarHBondContact NZ-OD1 3.27Å; K49-D270 IonicContact NZ-OD2 3.94Å; K49-D270 PolarHBondContact NZ-OD2 3.46Å; T266-D270 WeakPolarHBondContact O-CB 3.48Å; T266-D270 PolarHBondContact O-N 3.34Å; T266-D270 VanDerWaalsContact O-OD2 3.06Å; T266-D270 PolarHBondContact OG1-OD2 2.62Å; S268-D270 VanDerWaalsContact C-N 3.26Å; S268-D270 PolarHBondContact O-N 2.95Å
271	H	98.3	Very high	98.1	Very high	75 Å²	75	34.8 Å²	34.8	35%	0.347	16%	0.161	S	C	.	.	H	α-helix	trans	-103.8	-16.7	-176.8	-65.2	78.4	0	0	0	113	L236 L267 S268	L236-H271 HydrophobicContact CB-CB 4.24Å; L236-H271 HydrophobicContact CD1-CB 4.01Å; L236-H271 HydrophobicContact CD2-CB 4.21Å; L236-H271 HydrophobicContact CG-CB 4.37Å; L267-H271 PolarHBondContact O-ND1 3.49Å; S268-H271 PolarHBondContact O-N 2.84Å
272	L	98.5	Very high	98	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	17%	0.173	C	C	.	.	S	Bend	trans	-72.7	138.4	179.5	-78.6	176.3	0	0	0	112.4	I223 L236 T240 F247 I249 S268 R274 R278	I223-L272 HydrophobicContact CD1-CD2 4.2Å; I223-L272 HydrophobicContact CG1-CD2 4.04Å; L236-L272 HydrophobicContact CD2-CD2 3.69Å; L236-L272 HydrophobicContact CD2-CG 3.78Å; T240-L272 HydrophobicContact CG2-CD2 4.45Å; F247-L272 HydrophobicContact CB-CD1 4.09Å; F247-L272 HydrophobicContact CB-CD2 3.45Å; F247-L272 VanDerWaalsContact CB-CD2 3.45Å; F247-L272 HydrophobicContact CB-CG 4.39Å; F247-L272 HydrophobicContact CD1-CD2 3.88Å; F247-L272 HydrophobicContact CD2-CD2 3.98Å; F247-L272 HydrophobicContact CG-CD2 3.5Å; I249-L272 HydrophobicContact CD1-CD1 4.22Å; I249-L272 HydrophobicContact CG1-CD1 4.02Å; S268-L272 WeakPolarHBondContact O-CB 3.45Å; S268-L272 VanDerWaalsContact O-CG 3.25Å; S268-L272 WeakPolarHBondContact O-CG 3.38Å; S268-L272 PolarHBondContact O-N 2.82Å; L272-R274 PolarHBondContact O-N 3.47Å; L272-R278 HydrophobicContact CB-CG 4.24Å; L272-R278 HydrophobicContact CD1-CB 4.42Å; L272-R278 HydrophobicContact CD1-CG 4.01Å; L272-R278 PolarHBondContact O-NH2 3.37Å; L272-R278 VanDerWaalsContact O-NH2 3.12Å
273	P	98	Very high	98	Very high	42 Å²	42	35.2 Å²	35.2	27%	0.273	17%	0.171	S	C	.	.			trans	-54.2	131.5	-177	-26.6	34.7	0	0	0	112.3	T240 F247 E275 K276	T240-P273 HydrophobicContact CG2-CG 4.17Å; F247-P273 HydrophobicContact CD2-CG 4.44Å; F247-P273 HydrophobicContact CE2-CG 3.83Å; F247-P273 HydrophobicContact CZ-CG 4.49Å; P273-E275 VanDerWaalsContact C-N 3.3Å; P273-E275 PolarHBondContact O-N 3.23Å; P273-K276 HydrophobicContact CB-CB 4.36Å; P273-K276 HydrophobicContact CB-CD 4.27Å; P273-K276 HydrophobicContact CB-CG 4.43Å; P273-K276 HydrophobicContact CG-CD 4.44Å; P273-K276 PolarHBondContact O-N 2.87Å
274	R	97.6	Very high	97.8	Very high	113 Å²	113	30.7 Å²	30.7	43%	0.426	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-41.4	-179	-176.8	176.4	172.2	-91.1	8	112	I41 E44 R51 L272 K276	I41-R274 HydrophobicContact CD1-CG 4.03Å; E44-R274 VanDerWaalsContact CD-NH2 3.25Å; E44-R274 IonicContact OE1-CZ 3.04Å; E44-R274 IonicContact OE1-NE 3.97Å; E44-R274 PolarHBondContact OE1-NE 2.85Å; E44-R274 VanDerWaalsContact OE1-NE 3.08Å; E44-R274 IonicContact OE1-NH2 2.89Å; E44-R274 PolarHBondContact OE1-NH2 3.1Å; E44-R274 IonicContact OE2-CZ 2.63Å; E44-R274 IonicContact OE2-NE 3.88Å; E44-R274 IonicContact OE2-NH2 2.66Å; E44-R274 PolarHBondContact OE2-NH2 3.36Å; R51-R274 PolarHBondContact NH1-O 2.9Å; L272-R274 PolarHBondContact O-N 3.47Å; R274-K276 PolarHBondContact O-N 3.48Å; R274-K276 VanDerWaalsContact O-N 3.12Å
275	E	96.9	Very high	97.8	Very high	110 Å²	110	35.4 Å²	35.4	51%	0.514	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	7	-175	-53.4	-48.3	126.4	0	0	114.4	P273	P273-E275 VanDerWaalsContact C-N 3.3Å; P273-E275 PolarHBondContact O-N 3.23Å
276	K	98.3	Very high	97.8	Very high	40 Å²	40	36.1 Å²	36.1	17%	0.174	18%	0.177	C	C	.	.	S	Bend	trans	-120.4	146.8	-178.1	-69.6	179.1	175.6	-174.1	0	111.5	R51 D243 V244 F247 P273 R274	R51-K276 PolarHBondContact NH2-O 2.94Å; D243-K276 IonicContact OD1-NZ 2.8Å; D243-K276 PolarHBondContact OD1-NZ 2.94Å; V244-K276 VanDerWaalsContact O-CD 3.29Å; V244-K276 WeakPolarHBondContact O-CD 3.17Å; V244-K276 WeakPolarHBondContact O-CE 3.43Å; V244-K276 PolarHBondContact O-NZ 3.1Å; F247-K276 HydrophobicContact CD2-CB 4.25Å; F247-K276 HydrophobicContact CD2-CD 4.15Å; F247-K276 HydrophobicContact CE2-CB 4.5Å; F247-K276 HydrophobicContact CE2-CD 3.59Å; P273-K276 HydrophobicContact CB-CB 4.36Å; P273-K276 HydrophobicContact CB-CD 4.27Å; P273-K276 HydrophobicContact CB-CG 4.43Å; P273-K276 HydrophobicContact CG-CD 4.44Å; P273-K276 PolarHBondContact O-N 2.87Å; R274-K276 PolarHBondContact O-N 3.48Å; R274-K276 VanDerWaalsContact O-N 3.12Å
277	P	98.5	Very high	97.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.			trans	-68.5	144.8	178.2	27.5	-33.7	0	0	0	111.3	L37 L39 L55 F220 P245 F247 M299	L37-P277 HydrophobicContact CD1-CG 4.28Å; L37-P277 HydrophobicContact CD2-CG 4.4Å; L39-P277 HydrophobicContact CD1-CB 3.96Å; L39-P277 HydrophobicContact CD1-CG 4.42Å; L55-P277 HydrophobicContact CD1-CB 4.43Å; L55-P277 HydrophobicContact CD2-CB 4.13Å; F220-P277 HydrophobicContact CE1-CG 4.27Å; F220-P277 HydrophobicContact CE2-CB 4.37Å; F220-P277 HydrophobicContact CE2-CG 3.88Å; F220-P277 HydrophobicContact CZ-CB 4.26Å; F220-P277 HydrophobicContact CZ-CG 3.41Å; F220-P277 VanDerWaalsContact CZ-CG 3.41Å; P245-P277 VanDerWaalsContact O-CD 3.28Å; P245-P277 WeakPolarHBondContact O-CD 3.26Å; F247-P277 PolarHBondContact N-O 3.05Å; F247-P277 VanDerWaalsContact N-O 3.13Å; P277-M299 HydrophobicContact CB-SD 4.02Å
278	R	98.8	Very high	97.8	Very high	22 Å²	22	34.8 Å²	34.8	8%	0.083	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	107.9	-179	-59.3	152.9	180	-166.2	-9.8	109.6	F247 T269 L272 G296 D298 M299	F247-R278 WeakPolarHBondContact O-CA 3.18Å; T269-R278 PolarHBondContact O-NH2 3.33Å; L272-R278 HydrophobicContact CB-CG 4.24Å; L272-R278 HydrophobicContact CD1-CB 4.42Å; L272-R278 HydrophobicContact CD1-CG 4.01Å; L272-R278 PolarHBondContact O-NH2 3.37Å; L272-R278 VanDerWaalsContact O-NH2 3.12Å; R278-G296 WeakPolarHBondContact CD-O 3.31Å; R278-G296 PolarHBondContact NH1-O 2.78Å; R278-D298 WeakPolarHBondContact CB-OD2 3.34Å; R278-D298 PolarHBondContact N-OD2 2.78Å; R278-D298 PolarHBondContact O-N 3.19Å; R278-M299 PolarHBondContact O-N 3.4Å; R278-M299 VanDerWaalsContact O-N 3.11Å
279	Y	98.9	Very high	97.8	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.8	-175.5	169.8	-152.1	0	0	0	111.6	M68 L93 L125 M178 F220 F247 A248 I249 M281 M299 D301	M68-Y279 HydrophobicContact CE-CD2 3.82Å; M68-Y279 HydrophobicContact CE-CE1 4.43Å; M68-Y279 HydrophobicContact CE-CE2 3.52Å; M68-Y279 HydrophobicContact CE-CG 4.43Å; L93-Y279 WeakPolarHBondContact CD1-OH 3.21Å; L125-Y279 HydrophobicContact CD1-CD1 3.95Å; L125-Y279 HydrophobicContact CD1-CE1 3.71Å; L125-Y279 HydrophobicContact CD2-CE1 4.08Å; M178-Y279 HydrophobicContact CE-CD1 4.03Å; M178-Y279 HydrophobicContact CE-CE1 4.12Å; M178-Y279 HydrophobicContact SD-CD1 3.94Å; M178-Y279 HydrophobicContact SD-CE1 3.83Å; F220-Y279 HydrophobicContact CD2-CD1 4.48Å; F247-Y279 PolarHBondContact O-N 3.37Å; A248-Y279 CarbonylContact C-O 3.57Å; A248-Y279 WeakPolarHBondContact CA-O 3.47Å; A248-Y279 HydrophobicContact CB-CD1 3.74Å; A248-Y279 HydrophobicContact CB-CE1 4.48Å; A248-Y279 HydrophobicContact CB-CG 4.15Å; A248-Y279 WeakPolarHBondContact CB-O 3.49Å; I249-Y279 PolarHBondContact N-O 2.96Å; Y279-M281 HydrophobicContact CD1-CG 4.17Å; Y279-M281 HydrophobicContact CD2-CG 4.43Å; Y279-M281 HydrophobicContact CE1-CG 3.77Å; Y279-M281 HydrophobicContact CE2-CB 4.46Å; Y279-M281 HydrophobicContact CE2-CG 4.03Å; Y279-M281 HydrophobicContact CG-CG 4.47Å; Y279-M299 HydrophobicContact CD2-CB 3.96Å; Y279-M299 WeakPolarHBondContact CD2-O 3.44Å; Y279-M299 HydrophobicContact CG-CB 4.21Å; Y279-D301 HydrophobicContact CE2-CB 4.22Å; Y279-D301 WeakPolarHBondContact CE2-OD1 3.49Å; Y279-D301 VanDerWaalsContact CZ-OD1 3.26Å; Y279-D301 PolarHBondContact OH-OD1 3.17Å
280	L	98.6	Very high	97.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.6	174.3	-175.7	61.3	0	0	0	110.5	I249 F261 V265 V283 C292 C297 M299 F300	I249-L280 HydrophobicContact CB-CD1 3.82Å; I249-L280 HydrophobicContact CG2-CD1 3.84Å; F261-L280 HydrophobicContact CE2-CD2 4.42Å; F261-L280 HydrophobicContact CZ-CD2 4Å; V265-L280 HydrophobicContact CG1-CD2 4.44Å; V265-L280 HydrophobicContact CG2-CD1 3.98Å; V265-L280 HydrophobicContact CG2-CD2 4.01Å; L280-V283 HydrophobicContact CD1-CG2 4.44Å; L280-V283 HydrophobicContact CD2-CB 4.15Å; L280-V283 HydrophobicContact CD2-CG1 4.38Å; L280-V283 HydrophobicContact CD2-CG2 3.7Å; L280-V283 HydrophobicContact CG-CB 4.24Å; L280-V283 HydrophobicContact CG-CG2 3.7Å; L280-C292 HydrophobicContact CD2-CB 3.72Å; L280-C292 WeakPolarHBondContact CD2-SG 3.43Å; L280-C297 HydrophobicContact CB-CB 4.32Å; L280-M299 PolarHBondContact N-O 3.13Å; L280-F300 HydrophobicContact CB-CD1 3.92Å; L280-F300 HydrophobicContact CB-CE1 3.91Å; L280-F300 HydrophobicContact CD2-CD1 4.31Å; L280-F300 HydrophobicContact CD2-CE1 3.91Å; L280-F300 HydrophobicContact CG-CD1 4.49Å; L280-F300 HydrophobicContact CG-CE1 4.46Å
281	M	96.8	Very high	97.8	Very high	40 Å²	40	30.4 Å²	30.4	20%	0.197	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	137.7	-171	-59.7	175.6	72	0	0	111.9	M178 I222 A248 I249 Y279 V283 D301	M178-M281 HydrophobicContact CE-SD 4.25Å; I222-M281 HydrophobicContact CD1-CE 4.33Å; I222-M281 HydrophobicContact CD1-SD 4.28Å; I222-M281 HydrophobicContact CG1-SD 4.21Å; I222-M281 HydrophobicContact CG2-SD 4.04Å; A248-M281 HydrophobicContact CB-CG 3.99Å; A248-M281 HydrophobicContact CB-SD 3.77Å; I249-M281 PolarHBondContact O-N 3.06Å; Y279-M281 HydrophobicContact CD1-CG 4.17Å; Y279-M281 HydrophobicContact CD2-CG 4.43Å; Y279-M281 HydrophobicContact CE1-CG 3.77Å; Y279-M281 HydrophobicContact CE2-CB 4.46Å; Y279-M281 HydrophobicContact CE2-CG 4.03Å; Y279-M281 HydrophobicContact CG-CG 4.47Å; M281-V283 VanDerWaalsContact C-N 3.33Å; M281-V283 PolarHBondContact O-N 3.05Å; M281-D301 WeakPolarHBondContact CA-OD1 3.39Å
282	G	94.3	Very high	97.8	Very high	25 Å²	25	26.9 Å²	26.9	26%	0.258	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	5.1	168.6	0	0	0	0	0	116.8	D301 C302	G282-D301 CarbonylContact C-O 3.49Å; G282-D301 VanDerWaalsContact CA-O 3.23Å; G282-D301 WeakPolarHBondContact CA-O 3.33Å; G282-D301 PolarHBondContact N-O 3.42Å; G282-D301 PolarHBondContact N-OD1 2.95Å; G282-C302 PolarHBondContact O-SG 3.44Å; G282-C302 VanDerWaalsContact O-SG 3.35Å
283	V	96.8	Very high	97.9	Very high	6 Å²	6	26.6 Å²	26.6	4%	0.036	13%	0.129	C	C	.	.			trans	-95.4	128.8	-177.2	177.1	0	0	0	0	111.8	F261 L280 M281 D288 L289 F300 D301	F261-V283 HydrophobicContact CE2-CG2 3.89Å; F261-V283 HydrophobicContact CZ-CG2 3.91Å; L280-V283 HydrophobicContact CD1-CG2 4.44Å; L280-V283 HydrophobicContact CD2-CB 4.15Å; L280-V283 HydrophobicContact CD2-CG1 4.38Å; L280-V283 HydrophobicContact CD2-CG2 3.7Å; L280-V283 HydrophobicContact CG-CB 4.24Å; L280-V283 HydrophobicContact CG-CG2 3.7Å; M281-V283 VanDerWaalsContact C-N 3.33Å; M281-V283 PolarHBondContact O-N 3.05Å; V283-D288 HydrophobicContact CG1-CB 3.47Å; V283-D288 VanDerWaalsContact CG1-CB 3.47Å; V283-L289 HydrophobicContact CG1-CD2 4.38Å; V283-F300 HydrophobicContact CB-CD1 4.34Å; V283-F300 HydrophobicContact CG1-CD1 4.47Å; V283-D301 PolarHBondContact N-O 3.31Å
284	G	95.6	Very high	97.9	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	12%	0.116	C	C	.	.			trans	-148.9	-1.5	-175.2	0	0	0	0	0	117.5	C302 F304 Q374	G284-C302 VanDerWaalsContact CA-CB 3.49Å; G284-F304 WeakPolarHBondContact O-CD1 3.34Å; G284-Q374 PolarHBondContact O-NE2 2.86Å
285	Y	97	Very high	98	Very high	117 Å²	117	19.2 Å²	19.2	46%	0.459	10%	0.096	S	C	.	.			trans	-73.8	140.7	173	-64.8	-81.1	0	0	0	110.1	V287 D288 L289 F304	Y285-V287 VanDerWaalsContact C-N 3.31Å; Y285-V287 PolarHBondContact O-N 2.88Å; Y285-D288 WeakPolarHBondContact CD2-OD2 3.44Å; Y285-D288 WeakPolarHBondContact O-CB 3.49Å; Y285-D288 PolarHBondContact O-N 3.29Å; Y285-D288 VanDerWaalsContact O-N 3.13Å; Y285-L289 WeakPolarHBondContact O-CG 2.99Å; Y285-L289 PolarHBondContact O-N 2.95Å; Y285-F304 HydrophobicContact CD1-CD2 4.28Å; Y285-F304 HydrophobicContact CD1-CE1 4.15Å; Y285-F304 AromaticContact CD1-CE2 3.81Å; Y285-F304 HydrophobicContact CD1-CE2 3.81Å; Y285-F304 AromaticContact CD1-CZ 3.73Å; Y285-F304 HydrophobicContact CD1-CZ 3.73Å; Y285-F304 AromaticContact CE1-CD2 3.83Å; Y285-F304 HydrophobicContact CE1-CD2 3.83Å; Y285-F304 AromaticContact CE1-CE2 3.34Å; Y285-F304 HydrophobicContact CE1-CE2 3.34Å; Y285-F304 AromaticContact CE1-CZ 3.74Å; Y285-F304 HydrophobicContact CE1-CZ 3.74Å
286	A	98.1	Very high	98.1	Very high	14 Å²	14	14 Å²	14	12%	0.116	7%	0.071	C	C	.	.	H	α-helix	trans	-58.1	-42	-172.6	0	0	0	0	0	112.9	L289 V290 Y373 L377 F397 M401	A286-L289 PolarHBondContact O-N 3.09Å; A286-V290 WeakPolarHBondContact O-CG2 3.17Å; A286-V290 PolarHBondContact O-N 3.49Å; A286-V290 VanDerWaalsContact O-N 3.16Å; A286-Y373 HydrophobicContact CB-CE1 4.21Å; A286-L377 HydrophobicContact CB-CD2 3.9Å; A286-F397 HydrophobicContact CB-CE2 4.18Å; A286-F397 HydrophobicContact CB-CZ 3.87Å; A286-M401 HydrophobicContact CB-CE 3.96Å
287	V	98.3	Very high	98.1	Very high	15 Å²	15	12.1 Å²	12.1	9%	0.091	6%	0.063	C	C	.	.	H	α-helix	trans	-63.9	-47.9	177.1	-178.2	0	0	0	0	110.5	Y285 L289 V290 V291 F397 M398 M401 F402 W411 A412	Y285-V287 VanDerWaalsContact C-N 3.31Å; Y285-V287 PolarHBondContact O-N 2.88Å; V287-L289 VanDerWaalsContact C-N 3.31Å; V287-L289 PolarHBondContact O-N 3.28Å; V287-V290 PolarHBondContact O-N 3.26Å; V287-V291 HydrophobicContact CG1-CG2 4.18Å; V287-V291 WeakPolarHBondContact O-CG2 3.28Å; V287-V291 PolarHBondContact O-N 3.11Å; V287-F397 HydrophobicContact CG2-CE1 4.11Å; V287-F397 HydrophobicContact CG2-CZ 4.29Å; V287-M398 HydrophobicContact CG1-SD 4.34Å; V287-M401 HydrophobicContact CG2-CG 4.06Å; V287-F402 HydrophobicContact CG2-CE2 3.75Å; V287-F402 HydrophobicContact CG2-CZ 3.94Å; V287-W411 HydrophobicContact CB-CZ2 4.48Å; V287-W411 HydrophobicContact CG1-CH2 3.98Å; V287-W411 HydrophobicContact CG1-CZ2 3.8Å; V287-A412 HydrophobicContact CG1-CB 4.05Å
288	D	98.3	Very high	98.1	Very high	10 Å²	10	12.1 Å²	12.1	5%	0.053	6%	0.063	C	C	.	.	H	α-helix	trans	-56.1	-45.1	176.6	-56	2.4	0	0	0	112.1	K258 V283 Y285 V291 C292 W411	K258-D288 IonicContact NZ-OD1 2.79Å; K258-D288 PolarHBondContact NZ-OD1 2.88Å; K258-D288 IonicContact NZ-OD2 3.15Å; K258-D288 PolarHBondContact NZ-OD2 2.76Å; V283-D288 HydrophobicContact CG1-CB 3.47Å; V283-D288 VanDerWaalsContact CG1-CB 3.47Å; Y285-D288 WeakPolarHBondContact CD2-OD2 3.44Å; Y285-D288 WeakPolarHBondContact O-CB 3.49Å; Y285-D288 PolarHBondContact O-N 3.29Å; Y285-D288 VanDerWaalsContact O-N 3.13Å; D288-V291 PolarHBondContact O-N 3.19Å; D288-C292 WeakPolarHBondContact O-CB 3.27Å; D288-C292 PolarHBondContact O-N 2.8Å; D288-C292 PolarHBondContact O-SG 2.84Å; D288-W411 WeakPolarHBondContact OD1-CH2 3.3Å; D288-W411 WeakPolarHBondContact OD1-CZ2 3.28Å
289	L	98.8	Very high	98.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.9	-49.4	179	-67.5	174.9	0	0	0	111.2	F67 V283 Y285 A286 V287 C292 V293 F300 L377 M378	F67-L289 HydrophobicContact CD2-CD1 4.11Å; F67-L289 HydrophobicContact CD2-CD2 4.19Å; V283-L289 HydrophobicContact CG1-CD2 4.38Å; Y285-L289 WeakPolarHBondContact O-CG 2.99Å; Y285-L289 PolarHBondContact O-N 2.95Å; A286-L289 PolarHBondContact O-N 3.09Å; V287-L289 VanDerWaalsContact C-N 3.31Å; V287-L289 PolarHBondContact O-N 3.28Å; L289-C292 PolarHBondContact O-N 3.35Å; L289-V293 VanDerWaalsContact O-CG2 3.29Å; L289-V293 WeakPolarHBondContact O-CG2 3.17Å; L289-V293 PolarHBondContact O-N 3.13Å; L289-F300 HydrophobicContact CD2-CB 3.58Å; L289-F300 HydrophobicContact CD2-CD1 3.6Å; L289-F300 HydrophobicContact CD2-CD2 3.86Å; L289-F300 HydrophobicContact CD2-CE1 4.22Å; L289-F300 HydrophobicContact CD2-CE2 4.46Å; L289-F300 HydrophobicContact CD2-CG 3.38Å; L289-L377 HydrophobicContact CD1-CD2 4.26Å; L289-M378 HydrophobicContact CB-CE 3.72Å; L289-M378 HydrophobicContact CD1-CE 4.18Å; L289-M378 HydrophobicContact CG-CE 4.46Å
290	V	98.9	Very high	98.1	Very high	1 Å²	1	11 Å²	11	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-64.4	-45.4	-179.2	173.7	0	0	0	0	111.2	A286 V287 V293 A294 L377 V381 F393 I394 F397	A286-V290 WeakPolarHBondContact O-CG2 3.17Å; A286-V290 PolarHBondContact O-N 3.49Å; A286-V290 VanDerWaalsContact O-N 3.16Å; V287-V290 PolarHBondContact O-N 3.26Å; V290-V293 PolarHBondContact O-N 3.23Å; V290-A294 PolarHBondContact O-N 2.96Å; V290-A294 VanDerWaalsContact O-N 3.13Å; V290-L377 HydrophobicContact CG2-CD1 4.15Å; V290-V381 HydrophobicContact CG2-CG2 4.22Å; V290-F393 HydrophobicContact CG1-CE1 4.44Å; V290-F393 HydrophobicContact CG2-CE1 4.22Å; V290-I394 HydrophobicContact CG1-CG1 3.83Å; V290-F397 HydrophobicContact CB-CD1 4.26Å; V290-F397 HydrophobicContact CB-CE1 4.1Å; V290-F397 HydrophobicContact CG1-CD1 4.14Å; V290-F397 HydrophobicContact CG1-CE1 4.46Å; V290-F397 HydrophobicContact CG2-CD1 4.04Å; V290-F397 HydrophobicContact CG2-CD2 4.19Å; V290-F397 HydrophobicContact CG2-CE1 3.89Å; V290-F397 HydrophobicContact CG2-CE2 4.03Å; V290-F397 HydrophobicContact CG2-CG 4.19Å; V290-F397 HydrophobicContact CG2-CZ 3.88Å
291	V	98.9	Very high	98	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-64	-47.3	178.4	174.6	0	0	0	0	110.7	V287 D288 V293 A294 L295 W411 A412 A415 L416	V287-V291 HydrophobicContact CG1-CG2 4.18Å; V287-V291 WeakPolarHBondContact O-CG2 3.28Å; V287-V291 PolarHBondContact O-N 3.11Å; D288-V291 PolarHBondContact O-N 3.19Å; V291-V293 VanDerWaalsContact C-N 3.28Å; V291-V293 PolarHBondContact O-N 3.4Å; V291-A294 CarbonylContact O-C 3.56Å; V291-A294 WeakPolarHBondContact O-CA 3.49Å; V291-A294 VanDerWaalsContact O-CB 3.29Å; V291-A294 WeakPolarHBondContact O-CB 3.41Å; V291-A294 PolarHBondContact O-N 3.16Å; V291-L295 HydrophobicContact CG1-CD1 4.23Å; V291-L295 HydrophobicContact CG1-CG 4.39Å; V291-L295 WeakPolarHBondContact O-CG 3.38Å; V291-L295 PolarHBondContact O-N 2.67Å; V291-W411 HydrophobicContact CB-CH2 4.29Å; V291-W411 HydrophobicContact CB-CZ3 4.08Å; V291-W411 HydrophobicContact CG1-CZ3 3.85Å; V291-W411 HydrophobicContact CG2-CH2 4.14Å; V291-W411 HydrophobicContact CG2-CZ3 4.13Å; V291-A412 HydrophobicContact CG2-CB 4.15Å; V291-A415 HydrophobicContact CG1-CB 3.62Å; V291-L416 HydrophobicContact CG2-CD1 4.3Å; V291-L416 HydrophobicContact CG2-CD2 4.29Å; V291-L416 HydrophobicContact CG2-CG 4.15Å
292	C	98.9	Very high	97.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-67.9	-28.1	-178.1	-64.7	0	0	0	0	112.8	L280 D288 L289 L295 G296 C297 F300	L280-C292 HydrophobicContact CD2-CB 3.72Å; L280-C292 WeakPolarHBondContact CD2-SG 3.43Å; D288-C292 WeakPolarHBondContact O-CB 3.27Å; D288-C292 PolarHBondContact O-N 2.8Å; D288-C292 PolarHBondContact O-SG 2.84Å; L289-C292 PolarHBondContact O-N 3.35Å; C292-L295 CarbonylContact O-C 3.18Å; C292-L295 PolarHBondContact O-N 2.83Å; C292-G296 PolarHBondContact O-N 3.07Å; C292-G296 VanDerWaalsContact O-N 3.08Å; C292-C297 HydrophobicContact CB-CB 4.35Å; C292-C297 WeakPolarHBondContact O-CB 3.15Å; C292-C297 PolarHBondContact O-N 3.33Å; C292-F300 HydrophobicContact CB-CE1 3.6Å; C292-F300 HydrophobicContact CB-CZ 3.91Å
293	V	98.9	Very high	97.9	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64.9	-43	167.1	171.1	0	0	0	0	110.8	A50 P65 L289 V290 V291 L295 G296 F300 V381 I385 F390	A50-V293 VanDerWaalsContact CA-O 3.25Å; A50-V293 WeakPolarHBondContact CA-O 3.43Å; A50-V293 HydrophobicContact CB-CG1 3.84Å; A50-V293 WeakPolarHBondContact CB-O 3.44Å; P65-V293 HydrophobicContact CB-CG1 4.44Å; P65-V293 HydrophobicContact CB-CG2 3.58Å; P65-V293 HydrophobicContact CG-CG1 4.04Å; P65-V293 HydrophobicContact CG-CG2 3.87Å; L289-V293 VanDerWaalsContact O-CG2 3.29Å; L289-V293 WeakPolarHBondContact O-CG2 3.17Å; L289-V293 PolarHBondContact O-N 3.13Å; V290-V293 PolarHBondContact O-N 3.23Å; V291-V293 VanDerWaalsContact C-N 3.28Å; V291-V293 PolarHBondContact O-N 3.4Å; V293-L295 PolarHBondContact O-N 2.73Å; V293-G296 WeakPolarHBondContact O-CA 3.33Å; V293-G296 PolarHBondContact O-N 3.24Å; V293-F300 HydrophobicContact CG2-CE2 3.57Å; V293-F300 HydrophobicContact CG2-CZ 3.74Å; V293-V381 HydrophobicContact CB-CG1 4.23Å; V293-V381 HydrophobicContact CG1-CG1 3.66Å; V293-V381 HydrophobicContact CG2-CG1 4.22Å; V293-I385 HydrophobicContact CG1-CD1 3.86Å; V293-F390 HydrophobicContact CB-CZ 4.21Å; V293-F390 HydrophobicContact CG1-CE1 4.12Å; V293-F390 HydrophobicContact CG1-CZ 3.79Å
294	A	98.9	Very high	97.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.7	-29.3	174.7	0	0	0	0	0	113.1	T48 K49 V290 V291 G296 F390 I394 L416 V419	T48-A294 HydrophobicContact CG2-CB 4.34Å; K49-A294 WeakPolarHBondContact CB-O 3.35Å; K49-A294 PolarHBondContact N-O 2.66Å; V290-A294 PolarHBondContact O-N 2.96Å; V290-A294 VanDerWaalsContact O-N 3.13Å; V291-A294 CarbonylContact O-C 3.56Å; V291-A294 WeakPolarHBondContact O-CA 3.49Å; V291-A294 VanDerWaalsContact O-CB 3.29Å; V291-A294 WeakPolarHBondContact O-CB 3.41Å; V291-A294 PolarHBondContact O-N 3.16Å; A294-G296 VanDerWaalsContact C-N 3.32Å; A294-F390 HydrophobicContact CB-CE1 3.81Å; A294-F390 HydrophobicContact CB-CZ 4.3Å; A294-I394 HydrophobicContact CB-CD1 4.1Å; A294-L416 HydrophobicContact CB-CD2 3.9Å; A294-V419 HydrophobicContact CB-CG2 4.05Å
295	L	98.9	Very high	97.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.8	171.6	-57.9	-179.4	0	0	0	113.4	K49 W262 V265 T269 V291 C292 V293 V419	K49-L295 WeakPolarHBondContact CD-O 3.2Å; W262-L295 HydrophobicContact CB-CD1 4.14Å; V265-L295 HydrophobicContact CB-CD1 4.12Å; V265-L295 HydrophobicContact CG1-CB 4.04Å; V265-L295 HydrophobicContact CG1-CD1 3.86Å; T269-L295 WeakPolarHBondContact CB-O 3.42Å; T269-L295 PolarHBondContact OG1-O 2.67Å; V291-L295 HydrophobicContact CG1-CD1 4.23Å; V291-L295 HydrophobicContact CG1-CG 4.39Å; V291-L295 WeakPolarHBondContact O-CG 3.38Å; V291-L295 PolarHBondContact O-N 2.67Å; C292-L295 CarbonylContact O-C 3.18Å; C292-L295 PolarHBondContact O-N 2.83Å; V293-L295 PolarHBondContact O-N 2.73Å; L295-V419 HydrophobicContact CD2-CG1 3.79Å; L295-V419 HydrophobicContact CD2-CG2 4.41Å
296	G	98.8	Very high	97.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.1	21.1	170.2	0	0	0	0	0	116	K49 R278 C292 V293 A294	K49-G296 VanDerWaalsContact O-CA 3.3Å; K49-G296 WeakPolarHBondContact O-CA 3.28Å; R278-G296 WeakPolarHBondContact CD-O 3.31Å; R278-G296 PolarHBondContact NH1-O 2.78Å; C292-G296 PolarHBondContact O-N 3.07Å; C292-G296 VanDerWaalsContact O-N 3.08Å; V293-G296 WeakPolarHBondContact O-CA 3.33Å; V293-G296 PolarHBondContact O-N 3.24Å; A294-G296 VanDerWaalsContact C-N 3.32Å
297	C	98.9	Very high	97.4	Very high	1 Å²	1	12 Å²	12	1%	0.007	6%	0.059	C	C	.	.			trans	-80.4	145.7	169	-62.8	0	0	0	0	112.3	L280 C292 F300	L280-C297 HydrophobicContact CB-CB 4.32Å; C292-C297 HydrophobicContact CB-CB 4.35Å; C292-C297 WeakPolarHBondContact O-CB 3.15Å; C292-C297 PolarHBondContact O-N 3.33Å; C297-F300 HydrophobicContact CB-CE1 3.8Å; C297-F300 HydrophobicContact CB-CE2 4.38Å; C297-F300 HydrophobicContact CB-CZ 3.5Å
298	D	98.9	Very high	97.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.			trans	-112.2	-27.2	-175.7	-49.9	-66.5	0	0	0	113.4	R51 T64 P65 V66 R278	R51-D298 IonicContact CZ-OD1 3.73Å; R51-D298 IonicContact CZ-OD2 3.29Å; R51-D298 IonicContact NE-OD1 3.37Å; R51-D298 PolarHBondContact NE-OD1 3.35Å; R51-D298 VanDerWaalsContact NH2-CG 3.31Å; R51-D298 IonicContact NH2-OD1 2.89Å; R51-D298 PolarHBondContact NH2-OD1 2.7Å; R51-D298 VanDerWaalsContact NH2-OD1 3.16Å; R51-D298 IonicContact NH2-OD2 3.08Å; R51-D298 PolarHBondContact NH2-OD2 3.41Å; T64-D298 WeakPolarHBondContact CB-O 3.34Å; T64-D298 HydrophobicContact CG2-CB 4.32Å; P65-D298 CarbonylContact C-O 3.58Å; P65-D298 WeakPolarHBondContact CA-O 3.44Å; V66-D298 PolarHBondContact N-O 3.43Å; R278-D298 WeakPolarHBondContact CB-OD2 3.34Å; R278-D298 PolarHBondContact N-OD2 2.78Å; R278-D298 PolarHBondContact O-N 3.19Å
299	M	98.9	Very high	97.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.6	-174.4	-54.4	171.6	63.1	0	0	110.3	L55 T64 V66 M68 I91 L125 I176 F220 P277 R278 Y279 L280	L55-M299 HydrophobicContact CD1-CG 4.47Å; L55-M299 HydrophobicContact CD1-SD 3.83Å; T64-M299 HydrophobicContact CG2-CG 4.4Å; V66-M299 HydrophobicContact CG1-CB 4.12Å; V66-M299 HydrophobicContact CG1-CG 3.86Å; M68-M299 HydrophobicContact CE-CB 4.06Å; M68-M299 HydrophobicContact CE-CE 3.87Å; M68-M299 HydrophobicContact SD-CE 3.74Å; I91-M299 HydrophobicContact CD1-CE 4.45Å; L125-M299 HydrophobicContact CD1-CE 4.25Å; I176-M299 HydrophobicContact CD1-CE 3.83Å; F220-M299 HydrophobicContact CE2-SD 4.12Å; F220-M299 HydrophobicContact CZ-SD 4.44Å; P277-M299 HydrophobicContact CB-SD 4.02Å; R278-M299 PolarHBondContact O-N 3.4Å; R278-M299 VanDerWaalsContact O-N 3.11Å; Y279-M299 HydrophobicContact CD2-CB 3.96Å; Y279-M299 WeakPolarHBondContact CD2-O 3.44Å; Y279-M299 HydrophobicContact CG-CB 4.21Å; L280-M299 PolarHBondContact N-O 3.13Å
300	F	98.8	Very high	96.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.3	179.4	-54.5	-87.2	0	0	0	110.4	P65 V66 F67 M68 L280 V283 L289 C292 V293 C297 M378	P65-F300 HydrophobicContact CB-CE2 4.37Å; V66-F300 PolarHBondContact O-N 3Å; F67-F300 CarbonylContact C-O 3.52Å; F67-F300 WeakPolarHBondContact CA-O 3.37Å; F67-F300 HydrophobicContact CD2-CB 4.2Å; M68-F300 WeakPolarHBondContact CB-O 3.48Å; M68-F300 WeakPolarHBondContact CE-O 3.45Å; M68-F300 PolarHBondContact N-O 3.25Å; L280-F300 HydrophobicContact CB-CD1 3.92Å; L280-F300 HydrophobicContact CB-CE1 3.91Å; L280-F300 HydrophobicContact CD2-CD1 4.31Å; L280-F300 HydrophobicContact CD2-CE1 3.91Å; L280-F300 HydrophobicContact CG-CD1 4.49Å; L280-F300 HydrophobicContact CG-CE1 4.46Å; V283-F300 HydrophobicContact CB-CD1 4.34Å; V283-F300 HydrophobicContact CG1-CD1 4.47Å; L289-F300 HydrophobicContact CD2-CB 3.58Å; L289-F300 HydrophobicContact CD2-CD1 3.6Å; L289-F300 HydrophobicContact CD2-CD2 3.86Å; L289-F300 HydrophobicContact CD2-CE1 4.22Å; L289-F300 HydrophobicContact CD2-CE2 4.46Å; L289-F300 HydrophobicContact CD2-CG 3.38Å; C292-F300 HydrophobicContact CB-CE1 3.6Å; C292-F300 HydrophobicContact CB-CZ 3.91Å; V293-F300 HydrophobicContact CG2-CE2 3.57Å; V293-F300 HydrophobicContact CG2-CZ 3.74Å; C297-F300 HydrophobicContact CB-CE1 3.8Å; C297-F300 HydrophobicContact CB-CE2 4.38Å; C297-F300 HydrophobicContact CB-CZ 3.5Å; F300-M378 HydrophobicContact CD2-SD 4.2Å; F300-M378 HydrophobicContact CE2-SD 4.35Å
301	D	97.6	Very high	96.6	Very high	19 Å²	19	22 Å²	22	10%	0.102	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.1	166.5	80.6	-70.7	0	0	0	109.7	M68 V70 L93 Y279 M281 G282 V283	M68-D301 HydrophobicContact CB-CB 4.09Å; M68-D301 HydrophobicContact CE-CB 4.25Å; M68-D301 WeakPolarHBondContact O-CA 3.37Å; V70-D301 HydrophobicContact CG2-CB 4.28Å; L93-D301 HydrophobicContact CD1-CB 3.98Å; Y279-D301 HydrophobicContact CE2-CB 4.22Å; Y279-D301 WeakPolarHBondContact CE2-OD1 3.49Å; Y279-D301 VanDerWaalsContact CZ-OD1 3.26Å; Y279-D301 PolarHBondContact OH-OD1 3.17Å; M281-D301 WeakPolarHBondContact CA-OD1 3.39Å; G282-D301 CarbonylContact C-O 3.49Å; G282-D301 VanDerWaalsContact CA-O 3.23Å; G282-D301 WeakPolarHBondContact CA-O 3.33Å; G282-D301 PolarHBondContact N-O 3.42Å; G282-D301 PolarHBondContact N-OD1 2.95Å; V283-D301 PolarHBondContact N-O 3.31Å
302	C	94.5	Very high	96.4	Very high	13 Å²	13	22 Å²	22	9%	0.088	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	148.7	167.5	-161.7	0	0	0	0	111.6	F67 G282 G284 F304	F67-C302 HydrophobicContact CE2-CB 3.84Å; F67-C302 HydrophobicContact CZ-CB 3.96Å; F67-C302 WeakPolarHBondContact CZ-O 3.38Å; G282-C302 PolarHBondContact O-SG 3.44Å; G282-C302 VanDerWaalsContact O-SG 3.35Å; G284-C302 VanDerWaalsContact CA-CB 3.49Å; C302-F304 HydrophobicContact CB-CB 4.17Å; C302-F304 PolarHBondContact O-N 3.43Å; C302-F304 VanDerWaalsContact SG-CB 3.5Å; C302-F304 PolarHBondContact SG-N 3.45Å
303	V	93.1	Very high	96.4	Very high	54 Å²	54	22.1 Å²	22.1	33%	0.327	10%	0.101	S	C	.	.	S	Bend	trans	-74.5	-8.9	167.4	-61.5	0	0	0	0	112.9	V70 T306 R307	V70-V303 HydrophobicContact CB-CG1 3.96Å; V70-V303 HydrophobicContact CG1-CG1 4Å; V70-V303 HydrophobicContact CG2-CG1 4.19Å; V303-T306 PolarHBondContact O-N 3.43Å; V303-T306 PolarHBondContact O-OG1 2.9Å; V303-T306 VanDerWaalsContact O-OG1 3.07Å; V303-R307 HydrophobicContact CG2-CB 4.44Å; V303-R307 WeakPolarHBondContact O-CB 3.24Å; V303-R307 PolarHBondContact O-N 3.46Å
304	F	94.5	Very high	96.4	Very high	27 Å²	27	22.1 Å²	22.1	12%	0.118	10%	0.101	C	C	.	.	H	α-helix	trans	-46.4	-54.6	-174.6	178.9	-112	0	0	0	114.9	G284 Y285 C302 T306 R307 T308 L315	G284-F304 WeakPolarHBondContact O-CD1 3.34Å; Y285-F304 HydrophobicContact CD1-CD2 4.28Å; Y285-F304 HydrophobicContact CD1-CE1 4.15Å; Y285-F304 AromaticContact CD1-CE2 3.81Å; Y285-F304 HydrophobicContact CD1-CE2 3.81Å; Y285-F304 AromaticContact CD1-CZ 3.73Å; Y285-F304 HydrophobicContact CD1-CZ 3.73Å; Y285-F304 AromaticContact CE1-CD2 3.83Å; Y285-F304 HydrophobicContact CE1-CD2 3.83Å; Y285-F304 AromaticContact CE1-CE2 3.34Å; Y285-F304 HydrophobicContact CE1-CE2 3.34Å; Y285-F304 AromaticContact CE1-CZ 3.74Å; Y285-F304 HydrophobicContact CE1-CZ 3.74Å; C302-F304 HydrophobicContact CB-CB 4.17Å; C302-F304 PolarHBondContact O-N 3.43Å; C302-F304 VanDerWaalsContact SG-CB 3.5Å; C302-F304 PolarHBondContact SG-N 3.45Å; F304-T306 PolarHBondContact O-N 3.38Å; F304-R307 PolarHBondContact O-N 3.28Å; F304-T308 HydrophobicContact CE2-CG2 4.47Å; F304-T308 HydrophobicContact CZ-CG2 4.42Å; F304-T308 VanDerWaalsContact O-CB 3.31Å; F304-T308 WeakPolarHBondContact O-CB 3.31Å; F304-T308 VanDerWaalsContact O-CG2 3.29Å; F304-T308 WeakPolarHBondContact O-CG2 3.27Å; F304-T308 PolarHBondContact O-N 2.95Å; F304-L315 HydrophobicContact CD1-CD1 4.39Å; F304-L315 HydrophobicContact CE1-CD1 4.07Å; F304-L315 HydrophobicContact CE1-CD2 3.55Å; F304-L315 HydrophobicContact CE1-CG 4.46Å; F304-L315 HydrophobicContact CZ-CD2 3.9Å
305	P	95.8	Very high	96.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-40.3	-177.1	22.9	-34.7	0	0	0	113.2	F67 A309 L315 N370 Q374	F67-P305 HydrophobicContact CE1-CG 3.76Å; F67-P305 HydrophobicContact CZ-CG 3.73Å; P305-A309 WeakPolarHBondContact O-CB 3.5Å; P305-A309 PolarHBondContact O-N 3.03Å; P305-L315 HydrophobicContact CB-CD1 4.35Å; P305-N370 HydrophobicContact CB-CB 3.71Å; P305-N370 WeakPolarHBondContact O-CB 3.45Å; P305-N370 PolarHBondContact O-ND2 2.76Å; P305-Q374 HydrophobicContact CB-CG 4.11Å; P305-Q374 HydrophobicContact CG-CG 4.19Å
306	T	94	Very high	96.3	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.055	10%	0.103	C	C	.	.	H	α-helix	trans	-81	-32.5	-179.3	62.8	0	0	0	0	111.9	V303 F304 R310 T367 I371	V303-T306 PolarHBondContact O-N 3.43Å; V303-T306 PolarHBondContact O-OG1 2.9Å; V303-T306 VanDerWaalsContact O-OG1 3.07Å; F304-T306 PolarHBondContact O-N 3.38Å; T306-R310 PolarHBondContact O-NH1 3.07Å; T306-T367 HydrophobicContact CG2-CG2 3.64Å; T306-I371 HydrophobicContact CG2-CD1 4.11Å; T306-I371 HydrophobicContact CG2-CG1 4.35Å
307	R	93.4	Very high	96.2	Very high	102 Å²	102	23.4 Å²	23.4	39%	0.385	11%	0.109	S	C	.	.	H	α-helix	trans	-68.2	-50.2	176.2	-176.6	176.4	72.2	-168.6	0.9	111.1	V303 F304 A309 R310 F311	V303-R307 HydrophobicContact CG2-CB 4.44Å; V303-R307 WeakPolarHBondContact O-CB 3.24Å; V303-R307 PolarHBondContact O-N 3.46Å; F304-R307 PolarHBondContact O-N 3.28Å; R307-A309 VanDerWaalsContact C-N 3.3Å; R307-A309 PolarHBondContact O-N 3.3Å; R307-R310 WeakPolarHBondContact O-CB 3.45Å; R307-R310 PolarHBondContact O-N 3.04Å; R307-F311 HydrophobicContact CG-CD2 4.45Å; R307-F311 HydrophobicContact CG-CE2 3.94Å; R307-F311 WeakPolarHBondContact O-CD2 3.35Å
308	T	94.7	Very high	96.1	Very high	20 Å²	20	28 Å²	28	12%	0.123	13%	0.126	C	C	.	.	H	α-helix	trans	-68.9	-30.3	-176.3	-152.2	0	0	0	0	112.1	F304 R310 F311 G312 S313 L315 N370	F304-T308 HydrophobicContact CE2-CG2 4.47Å; F304-T308 HydrophobicContact CZ-CG2 4.42Å; F304-T308 VanDerWaalsContact O-CB 3.31Å; F304-T308 WeakPolarHBondContact O-CB 3.31Å; F304-T308 VanDerWaalsContact O-CG2 3.29Å; F304-T308 WeakPolarHBondContact O-CG2 3.27Å; F304-T308 PolarHBondContact O-N 2.95Å; T308-R310 VanDerWaalsContact C-N 3.29Å; T308-R310 PolarHBondContact O-N 3.01Å; T308-F311 CarbonylContact O-C 3.52Å; T308-F311 WeakPolarHBondContact O-CA 3.31Å; T308-F311 PolarHBondContact O-N 3Å; T308-G312 PolarHBondContact O-N 2.99Å; T308-S313 PolarHBondContact O-N 3.33Å; T308-S313 WeakPolarHBondContact OG1-CB 3.28Å; T308-S313 PolarHBondContact OG1-OG 3.39Å; T308-L315 HydrophobicContact CG2-CD2 4.17Å; T308-N370 WeakPolarHBondContact CG2-ND2 3.34Å
309	A	95.7	Very high	95.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-40.2	172	0	0	0	0	0	112.7	P305 R307 F311 G312 I366 T367	P305-A309 WeakPolarHBondContact O-CB 3.5Å; P305-A309 PolarHBondContact O-N 3.03Å; R307-A309 VanDerWaalsContact C-N 3.3Å; R307-A309 PolarHBondContact O-N 3.3Å; A309-F311 PolarHBondContact O-N 3.38Å; A309-G312 PolarHBondContact O-N 3.07Å; A309-I366 HydrophobicContact CB-CB 4.04Å; A309-I366 HydrophobicContact CB-CG2 3.65Å; A309-T367 VanDerWaalsContact CB-OG1 3.26Å; A309-T367 WeakPolarHBondContact CB-OG1 3.32Å
310	R	91.8	Very high	95.8	Very high	91 Å²	91	32 Å²	32	34%	0.343	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.5	176.5	-63.9	-170.1	-58.1	-86.6	6.7	113.8	T306 R307 T308 F356 M363	T306-R310 PolarHBondContact O-NH1 3.07Å; R307-R310 WeakPolarHBondContact O-CB 3.45Å; R307-R310 PolarHBondContact O-N 3.04Å; T308-R310 VanDerWaalsContact C-N 3.29Å; T308-R310 PolarHBondContact O-N 3.01Å; R310-F356 WeakPolarHBondContact O-CZ 3.16Å; R310-M363 HydrophobicContact CB-SD 4.07Å; R310-M363 HydrophobicContact CG-SD 4.1Å
311	F	95	Very high	95.8	Very high	125 Å²	125	32.5 Å²	32.5	55%	0.548	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	1.5	172.9	-63.5	-69	0	0	0	112.7	R307 T308 A309 K324	R307-F311 HydrophobicContact CG-CD2 4.45Å; R307-F311 HydrophobicContact CG-CE2 3.94Å; R307-F311 WeakPolarHBondContact O-CD2 3.35Å; T308-F311 CarbonylContact O-C 3.52Å; T308-F311 WeakPolarHBondContact O-CA 3.31Å; T308-F311 PolarHBondContact O-N 3Å; A309-F311 PolarHBondContact O-N 3.38Å; F311-K324 WeakPolarHBondContact O-CE 3.38Å; F311-K324 PolarHBondContact O-NZ 2.98Å
312	G	95.7	Very high	95.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	24.7	178.4	0	0	0	0	0	113.5	T308 A309 Q322 V323 F356	T308-G312 PolarHBondContact O-N 2.99Å; A309-G312 PolarHBondContact O-N 3.07Å; G312-Q322 CarbonylContact O-C 3.45Å; G312-V323 WeakPolarHBondContact O-CG2 3.38Å; G312-V323 PolarHBondContact O-N 2.82Å; G312-F356 VanDerWaalsContact CA-CZ 3.46Å
313	S	97.9	Very high	95.9	Very high	4 Å²	4	34 Å²	34	3%	0.028	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.6	173.6	-178.8	0	0	0	0	109.7	T308 S320 L321 Q322 I366 N370	T308-S313 PolarHBondContact O-N 3.33Å; T308-S313 WeakPolarHBondContact OG1-CB 3.28Å; T308-S313 PolarHBondContact OG1-OG 3.39Å; S313-S320 WeakPolarHBondContact OG-CB 3.32Å; S313-L321 WeakPolarHBondContact CA-O 3.38Å; S313-Q322 PolarHBondContact OG-NE2 3.13Å; S313-I366 WeakPolarHBondContact O-CG2 3.42Å; S313-N370 PolarHBondContact O-ND2 3.04Å
314	A	98.4	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.3	174	0	0	0	0	0	109.8	S320 L321 V323 I335 I366 N370	A314-S320 CarbonylContact O-C 3.55Å; A314-S320 WeakPolarHBondContact O-CA 3.2Å; A314-L321 PolarHBondContact N-O 3.46Å; A314-L321 PolarHBondContact O-N 3.26Å; A314-V323 HydrophobicContact CB-CG1 4.04Å; A314-I335 HydrophobicContact CB-CD1 4.01Å; A314-I335 HydrophobicContact CB-CG1 4.31Å; A314-I335 HydrophobicContact CB-CG2 3.69Å; A314-I366 HydrophobicContact CB-CG2 4.05Å; A314-N370 WeakPolarHBondContact CA-OD1 3.27Å
315	L	98.5	Very high	96.1	Very high	8 Å²	8	39 Å²	39	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.4	-177.5	-58.1	-179.7	0	0	0	110.8	F304 P305 T308 H369 N370 Y373 Q374	F304-L315 HydrophobicContact CD1-CD1 4.39Å; F304-L315 HydrophobicContact CE1-CD1 4.07Å; F304-L315 HydrophobicContact CE1-CD2 3.55Å; F304-L315 HydrophobicContact CE1-CG 4.46Å; F304-L315 HydrophobicContact CZ-CD2 3.9Å; P305-L315 HydrophobicContact CB-CD1 4.35Å; T308-L315 HydrophobicContact CG2-CD2 4.17Å; L315-H369 PolarHBondContact O-NE2 3.19Å; L315-N370 HydrophobicContact CD1-CB 4.02Å; L315-N370 HydrophobicContact CG-CB 4.18Å; L315-N370 PolarHBondContact N-OD1 3.16Å; L315-Y373 HydrophobicContact CB-CD1 3.64Å; L315-Y373 HydrophobicContact CB-CD2 4.38Å; L315-Y373 HydrophobicContact CB-CE1 4.1Å; L315-Y373 HydrophobicContact CB-CG 3.81Å; L315-Y373 HydrophobicContact CD1-CD1 3.75Å; L315-Y373 HydrophobicContact CD1-CE1 4.33Å; L315-Y373 HydrophobicContact CG-CD1 4.34Å; L315-Q374 HydrophobicContact CD1-CG 4.27Å
316	V	98.3	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	157.9	176.8	-69.8	0	0	0	0	109.8	W318 G319 L321 I335 D336	V316-W318 HydrophobicContact CB-CD2 4.04Å; V316-W318 HydrophobicContact CB-CE3 4.39Å; V316-W318 HydrophobicContact CB-CH2 4.28Å; V316-W318 HydrophobicContact CB-CZ2 3.93Å; V316-W318 HydrophobicContact CB-CZ3 4.5Å; V316-W318 HydrophobicContact CG1-CH2 4.41Å; V316-W318 HydrophobicContact CG1-CZ2 4.01Å; V316-W318 HydrophobicContact CG2-CD2 3.98Å; V316-W318 HydrophobicContact CG2-CG 4Å; V316-W318 HydrophobicContact CG2-CZ2 4.24Å; V316-W318 PolarHBondContact O-N 3.39Å; V316-G319 PolarHBondContact N-O 2.85Å; V316-G319 CarbonylContact O-C 3.53Å; V316-G319 PolarHBondContact O-N 3.47Å; V316-L321 HydrophobicContact CG1-CD1 3.94Å; V316-L321 HydrophobicContact CG1-CG 3.82Å; V316-L321 HydrophobicContact CG2-CD2 4.08Å; V316-L321 HydrophobicContact CG2-CG 4.04Å; V316-I335 HydrophobicContact CG1-CG2 3.72Å; V316-D336 HydrophobicContact CG1-CB 4.37Å
317	P	96.8	Very high	96.4	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.123	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-17.6	-179.9	-27.4	35.5	0	0	0	115.1	D336 Y373 R400	P317-D336 WeakPolarHBondContact CD-OD2 3.42Å; P317-D336 WeakPolarHBondContact CG-OD2 3.42Å; P317-Y373 HydrophobicContact CG-CE2 4.19Å; P317-R400 HydrophobicContact CB-CG 4.14Å; P317-R400 VanDerWaalsContact CB-CZ 3.45Å; P317-R400 VanDerWaalsContact CB-NE 3.3Å
318	W	95.4	Very high	96.6	Very high	97 Å²	97	49.5 Å²	49.5	37%	0.367	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	29.4	176.9	58	88	0	0	0	112.7	V316 D336 R400	V316-W318 HydrophobicContact CB-CD2 4.04Å; V316-W318 HydrophobicContact CB-CE3 4.39Å; V316-W318 HydrophobicContact CB-CH2 4.28Å; V316-W318 HydrophobicContact CB-CZ2 3.93Å; V316-W318 HydrophobicContact CB-CZ3 4.5Å; V316-W318 HydrophobicContact CG1-CH2 4.41Å; V316-W318 HydrophobicContact CG1-CZ2 4.01Å; V316-W318 HydrophobicContact CG2-CD2 3.98Å; V316-W318 HydrophobicContact CG2-CG 4Å; V316-W318 HydrophobicContact CG2-CZ2 4.24Å; V316-W318 PolarHBondContact O-N 3.39Å; W318-D336 HydrophobicContact CH2-CB 4.36Å; W318-R400 VanDerWaalsContact CA-O 3.3Å; W318-R400 WeakPolarHBondContact CA-O 3.31Å; W318-R400 VanDerWaalsContact CB-O 3.31Å; W318-R400 WeakPolarHBondContact CB-O 3.43Å
319	G	95.8	Very high	96.7	Very high	25 Å²	25	50.7 Å²	50.7	26%	0.258	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	115.4	-118.8	175.2	0	0	0	0	0	113.5	V316 M401	V316-G319 PolarHBondContact N-O 2.85Å; V316-G319 CarbonylContact O-C 3.53Å; V316-G319 PolarHBondContact O-N 3.47Å; G319-M401 VanDerWaalsContact CA-SD 3.59Å; G319-M401 PolarHBondContact N-SD 3.35Å
320	S	96.9	Very high	96.8	Very high	59 Å²	59	59.4 Å²	59.4	41%	0.413	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	144.5	179.3	72.2	0	0	0	0	112.6	S313 A314	S313-S320 WeakPolarHBondContact OG-CB 3.32Å; A314-S320 CarbonylContact O-C 3.55Å; A314-S320 WeakPolarHBondContact O-CA 3.2Å
321	L	97.8	Very high	97.2	Very high	11 Å²	11	56.7 Å²	56.7	6%	0.058	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122	172.9	-52	-175.3	0	0	0	109.4	S313 A314 V316 V323 Y328 I335	S313-L321 WeakPolarHBondContact CA-O 3.38Å; A314-L321 PolarHBondContact N-O 3.46Å; A314-L321 PolarHBondContact O-N 3.26Å; V316-L321 HydrophobicContact CG1-CD1 3.94Å; V316-L321 HydrophobicContact CG1-CG 3.82Å; V316-L321 HydrophobicContact CG2-CD2 4.08Å; V316-L321 HydrophobicContact CG2-CG 4.04Å; L321-V323 PolarHBondContact O-N 2.99Å; L321-Y328 HydrophobicContact CB-CE2 4.44Å; L321-Y328 HydrophobicContact CD1-CE1 4.4Å; L321-Y328 WeakPolarHBondContact CD2-OH 3.43Å; L321-I335 HydrophobicContact CD1-CG2 4.16Å; L321-I335 WeakPolarHBondContact CD1-O 3.39Å
322	Q	97.6	Very high	97.3	Very high	63 Å²	63	58.3 Å²	58.3	29%	0.294	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	85.9	172.4	-63.9	-62.1	-30.9	0	0	109.3	G312 S313 K324 Q325 Y328	G312-Q322 CarbonylContact O-C 3.45Å; S313-Q322 PolarHBondContact OG-NE2 3.13Å; Q322-K324 PolarHBondContact O-N 3.3Å; Q322-Q325 HydrophobicContact CB-CG 3.81Å; Q322-Q325 WeakPolarHBondContact O-CB 3.3Å; Q322-Q325 WeakPolarHBondContact O-CG 3.36Å; Q322-Q325 PolarHBondContact O-N 3.43Å; Q322-Y328 VanDerWaalsContact O-CD2 3.27Å; Q322-Y328 WeakPolarHBondContact O-CD2 3.45Å; Q322-Y328 WeakPolarHBondContact O-CE2 3.45Å
323	V	96.1	Very high	97.4	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.5	-169	-55.5	0	0	0	0	113.6	G312 A314 L321 Q325 H353 F356 I366	G312-V323 WeakPolarHBondContact O-CG2 3.38Å; G312-V323 PolarHBondContact O-N 2.82Å; A314-V323 HydrophobicContact CB-CG1 4.04Å; L321-V323 PolarHBondContact O-N 2.99Å; V323-Q325 VanDerWaalsContact C-N 3.26Å; V323-Q325 PolarHBondContact O-N 3.31Å; V323-H353 WeakPolarHBondContact O-CB 3.49Å; V323-H353 PolarHBondContact O-ND1 3.46Å; V323-F356 HydrophobicContact CG2-CD2 4.14Å; V323-I366 HydrophobicContact CG2-CD1 3.62Å
324	K	95.4	Very high	97.5	Very high	96 Å²	96	64.9 Å²	64.9	42%	0.417	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-19.6	173.4	-64.5	-176	-60.2	-164	0	114.2	F311 Q322 H353 F356	F311-K324 WeakPolarHBondContact O-CE 3.38Å; F311-K324 PolarHBondContact O-NZ 2.98Å; Q322-K324 PolarHBondContact O-N 3.3Å; K324-H353 PolarHBondContact O-CE1 3.41Å; K324-F356 HydrophobicContact CD-CD1 3.68Å; K324-F356 HydrophobicContact CD-CE1 3.5Å; K324-F356 HydrophobicContact CD-CZ 4.32Å; K324-F356 HydrophobicContact CG-CD1 3.51Å; K324-F356 HydrophobicContact CG-CE1 3.81Å; K324-F356 HydrophobicContact CG-CG 4.07Å
325	Q	97.3	Very high	97.5	Very high	90 Å²	90	64.9 Å²	64.9	42%	0.421	32%	0.316	S	S	.	.	S	Bend	trans	-67.1	144	-177.6	-70.5	-179.7	-1	0	0	111.4	Q322 V323 Q327 Y328 H353	Q322-Q325 HydrophobicContact CB-CG 3.81Å; Q322-Q325 WeakPolarHBondContact O-CB 3.3Å; Q322-Q325 WeakPolarHBondContact O-CG 3.36Å; Q322-Q325 PolarHBondContact O-N 3.43Å; V323-Q325 VanDerWaalsContact C-N 3.26Å; V323-Q325 PolarHBondContact O-N 3.31Å; Q325-Q327 HydrophobicContact CB-CG 4.2Å; Q325-Q327 PolarHBondContact O-N 3.34Å; Q325-Q327 VanDerWaalsContact O-N 3.15Å; Q325-Y328 HydrophobicContact CB-CD2 4.04Å; Q325-Y328 HydrophobicContact CB-CE2 4.1Å; Q325-Y328 PolarHBondContact O-N 2.99Å; Q325-Y328 VanDerWaalsContact O-N 3.15Å; Q325-H353 PolarHBondContact O-CE1 3.39Å; Q325-H353 VanDerWaalsContact O-CE1 3.23Å; Q325-H353 PolarHBondContact O-ND1 2.7Å; Q325-H353 VanDerWaalsContact O-ND1 3.13Å
326	K	97.4	Very high	97.5	Very high	189 Å²	189	64.9 Å²	64.9	82%	0.822	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-58.9	-28.6	-175.5	-69.5	-177.1	179	178	0	113.4	Y328 A329	K326-Y328 PolarHBondContact O-N 2.84Å; K326-Y328 VanDerWaalsContact O-N 3.17Å; K326-A329 VanDerWaalsContact O-CB 3.25Å; K326-A329 WeakPolarHBondContact O-CB 3.44Å; K326-A329 PolarHBondContact O-N 3.21Å
327	Q	97.7	Very high	97.4	Very high	126 Å²	126	68.5 Å²	68.5	59%	0.589	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-58.5	-28.1	179.2	70.4	-172.7	30.8	0	0	113.1	Q325	Q325-Q327 HydrophobicContact CB-CG 4.2Å; Q325-Q327 PolarHBondContact O-N 3.34Å; Q325-Q327 VanDerWaalsContact O-N 3.15Å
328	Y	98.1	Very high	97.4	Very high	16 Å²	16	72.4 Å²	72.4	6%	0.063	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-85.2	-7.8	179.7	-58.1	-61.2	0	0	0	113.8	L321 Q322 Q325 K326 K330 D331 R349 A350	L321-Y328 HydrophobicContact CB-CE2 4.44Å; L321-Y328 HydrophobicContact CD1-CE1 4.4Å; L321-Y328 WeakPolarHBondContact CD2-OH 3.43Å; Q322-Y328 VanDerWaalsContact O-CD2 3.27Å; Q322-Y328 WeakPolarHBondContact O-CD2 3.45Å; Q322-Y328 WeakPolarHBondContact O-CE2 3.45Å; Q325-Y328 HydrophobicContact CB-CD2 4.04Å; Q325-Y328 HydrophobicContact CB-CE2 4.1Å; Q325-Y328 PolarHBondContact O-N 2.99Å; Q325-Y328 VanDerWaalsContact O-N 3.15Å; K326-Y328 PolarHBondContact O-N 2.84Å; K326-Y328 VanDerWaalsContact O-N 3.17Å; Y328-K330 PolarHBondContact O-N 2.94Å; Y328-K330 VanDerWaalsContact O-N 3.08Å; Y328-D331 HydrophobicContact CD1-CB 4.34Å; Y328-D331 PolarHBondContact O-N 3.48Å; Y328-D331 VanDerWaalsContact O-N 3.14Å; Y328-R349 HydrophobicContact CD1-CB 4.18Å; Y328-R349 HydrophobicContact CD1-CG 4.47Å; Y328-A350 WeakPolarHBondContact O-CA 3.07Å; Y328-A350 PolarHBondContact O-N 3.23Å
329	A	97.8	Very high	97.6	Very high	45 Å²	45	68.7 Å²	68.7	37%	0.372	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-62.2	-22	-174.4	0	0	0	0	0	114.2	K326	K326-A329 VanDerWaalsContact O-CB 3.25Å; K326-A329 WeakPolarHBondContact O-CB 3.44Å; K326-A329 PolarHBondContact O-N 3.21Å
330	K	98.2	Very high	97.6	Very high	183 Å²	183	73.6 Å²	73.6	80%	0.796	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-127	16.5	176.8	-59.5	-175.1	-179.3	-178.2	0	112.5	Y328 F332	Y328-K330 PolarHBondContact O-N 2.94Å; Y328-K330 VanDerWaalsContact O-N 3.08Å; K330-F332 WeakPolarHBondContact O-CD2 3.4Å; K330-F332 PolarHBondContact O-N 2.92Å
331	D	98.3	Very high	97.7	Very high	34 Å²	34	71.1 Å²	71.1	18%	0.182	35%	0.347	C	S	.	.			trans	-87.7	101.8	177.9	-174.1	-8	0	0	0	110	Y328 Q333 R349 A350	Y328-D331 HydrophobicContact CD1-CB 4.34Å; Y328-D331 PolarHBondContact O-N 3.48Å; Y328-D331 VanDerWaalsContact O-N 3.14Å; D331-Q333 VanDerWaalsContact C-N 3.26Å; D331-Q333 PolarHBondContact O-N 3.43Å; D331-Q333 VanDerWaalsContact OD1-CB 3.26Å; D331-Q333 WeakPolarHBondContact OD1-CB 3.3Å; D331-Q333 WeakPolarHBondContact OD1-CG 3.34Å; D331-Q333 PolarHBondContact OD1-N 2.94Å; D331-R349 HydrophobicContact CB-CB 4.15Å; D331-R349 VanDerWaalsContact CG-CD 3.5Å; D331-R349 WeakPolarHBondContact OD2-CD 3.17Å; D331-R349 IonicContact OD2-CZ 3.13Å; D331-R349 IonicContact OD2-NE 3.34Å; D331-R349 IonicContact OD2-NH1 3.63Å; D331-R349 PolarHBondContact OD2-NH1 3.1Å; D331-A350 VanDerWaalsContact O-CB 3.27Å; D331-A350 WeakPolarHBondContact O-CB 3.47Å; D331-A350 PolarHBondContact O-N 3.49Å
332	F	98.3	Very high	97.7	Very high	159 Å²	159	73.1 Å²	73.1	70%	0.697	36%	0.36	S	S	*	.			trans	-84.3	5.5	-178.1	-66.2	-78.6	0	0	0	114	K330 S348 A350	K330-F332 WeakPolarHBondContact O-CD2 3.4Å; K330-F332 PolarHBondContact O-N 2.92Å; F332-S348 WeakPolarHBondContact O-CB 3.3Å; F332-A350 HydrophobicContact CD1-CB 4.32Å; F332-A350 HydrophobicContact CE1-CB 4.3Å
333	Q	98.4	Very high	97.7	Very high	114 Å²	114	70.1 Å²	70.1	53%	0.533	35%	0.346	S	S	.	.	S	Bend	trans	-75.3	156.1	173.8	-61.2	-62.1	-45.3	0	0	111.3	D331 S348 R349	D331-Q333 VanDerWaalsContact C-N 3.26Å; D331-Q333 PolarHBondContact O-N 3.43Å; D331-Q333 VanDerWaalsContact OD1-CB 3.26Å; D331-Q333 WeakPolarHBondContact OD1-CB 3.3Å; D331-Q333 WeakPolarHBondContact OD1-CG 3.34Å; D331-Q333 PolarHBondContact OD1-N 2.94Å; Q333-S348 CarbonylContact O-C 3.55Å; Q333-S348 VanDerWaalsContact O-CA 3.3Å; Q333-S348 WeakPolarHBondContact O-CA 3.49Å; Q333-R349 WeakPolarHBondContact O-CG 3.49Å; Q333-R349 PolarHBondContact O-N 3.48Å
334	P	98.5	Very high	97.8	Very high	28 Å²	28	70.7 Å²	70.7	18%	0.182	35%	0.35	C	S	.	.			trans	-64.7	168.6	168	30.7	-37.5	0	0	0	111.2	D336 P337 C344 R349	P334-D336 VanDerWaalsContact C-N 3.29Å; P334-D336 PolarHBondContact O-N 3.32Å; P334-P337 HydrophobicContact CG-CB 4.32Å; P334-C344 HydrophobicContact CB-CB 4.05Å; P334-C344 WeakPolarHBondContact CB-O 3.37Å; P334-R349 PolarHBondContact O-NE 2.87Å; P334-R349 PolarHBondContact O-NH2 3.48Å
335	I	98.6	Very high	98	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.358	C	S	.	.	S	Bend	trans	-54	-50.7	175	-63.4	165.4	0	0	0	110	A314 V316 L321 T343 R349 L352 H369	A314-I335 HydrophobicContact CB-CD1 4.01Å; A314-I335 HydrophobicContact CB-CG1 4.31Å; A314-I335 HydrophobicContact CB-CG2 3.69Å; V316-I335 HydrophobicContact CG1-CG2 3.72Å; L321-I335 HydrophobicContact CD1-CG2 4.16Å; L321-I335 WeakPolarHBondContact CD1-O 3.39Å; I335-T343 HydrophobicContact CD1-CG2 3.9Å; I335-R349 PolarHBondContact O-NE 2.68Å; I335-R349 PolarHBondContact O-NH2 2.77Å; I335-L352 HydrophobicContact CD1-CD1 3.57Å; I335-L352 HydrophobicContact CG1-CD1 3.66Å; I335-H369 HydrophobicContact CD1-CB 3.89Å; I335-H369 VanDerWaalsContact CG2-NE2 3.34Å; I335-H369 WeakPolarHBondContact CG2-NE2 3.21Å
336	D	98.3	Very high	98	Very high	9 Å²	9	77 Å²	77	5%	0.048	37%	0.371	C	S	.	.			trans	-136.1	120.8	176.7	177.4	-2.5	0	0	0	108.6	V316 P317 W318 P334 D338 C339	V316-D336 HydrophobicContact CG1-CB 4.37Å; P317-D336 WeakPolarHBondContact CD-OD2 3.42Å; P317-D336 WeakPolarHBondContact CG-OD2 3.42Å; W318-D336 HydrophobicContact CH2-CB 4.36Å; P334-D336 VanDerWaalsContact C-N 3.29Å; P334-D336 PolarHBondContact O-N 3.32Å; D336-D338 PolarHBondContact O-N 3.37Å; D336-D338 PolarHBondContact OD1-N 3.44Å; D336-C339 HydrophobicContact CB-CB 3.71Å; D336-C339 WeakPolarHBondContact O-CB 3.49Å; D336-C339 PolarHBondContact O-N 3.26Å
337	P	97.3	Very high	98	Very high	76 Å²	76	69.7 Å²	69.7	49%	0.494	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.6	-179	28.3	-35.5	0	0	0	113.6	P334	P334-P337 HydrophobicContact CG-CB 4.32Å
338	D	97.2	Very high	98	Very high	100 Å²	100	64.9 Å²	64.9	54%	0.535	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-16.4	178.7	-58.9	-33.6	0	0	0	111.6	D336 Q340 R400	D336-D338 PolarHBondContact O-N 3.37Å; D336-D338 PolarHBondContact OD1-N 3.44Å; D338-Q340 PolarHBondContact O-N 3.49Å; D338-Q340 PolarHBondContact O-NE2 3.09Å; D338-R400 IonicContact OD2-CZ 3.35Å; D338-R400 IonicContact OD2-NH1 3.81Å; D338-R400 IonicContact OD2-NH2 2.8Å; D338-R400 PolarHBondContact OD2-NH2 3.46Å
339	C	97.9	Very high	98	Very high	20 Å²	20	65.7 Å²	65.7	14%	0.135	32%	0.323	C	S	.	.			trans	-78.9	124.5	-173.7	-178.1	0	0	0	0	112.3	D336 C341 C344	D336-C339 HydrophobicContact CB-CB 3.71Å; D336-C339 WeakPolarHBondContact O-CB 3.49Å; D336-C339 PolarHBondContact O-N 3.26Å; C339-C341 VanDerWaalsContact C-N 3.35Å; C339-C341 PolarHBondContact O-N 3.34Å; C339-C344 HydrophobicContact CB-CB 4.08Å; C339-C344 VanDerWaalsContact O-CB 3.27Å; C339-C344 WeakPolarHBondContact O-CB 3.23Å
340	Q	96.8	Very high	98.1	Very high	127 Å²	127	64 Å²	64	59%	0.593	31%	0.309	S	S	*	.			trans	-91.9	10.5	-177.9	-61	-57.3	-47.4	0	0	114.1	D338 K345	D338-Q340 PolarHBondContact O-N 3.49Å; D338-Q340 PolarHBondContact O-NE2 3.09Å; Q340-K345 WeakPolarHBondContact O-CE 3.43Å
341	C	98.3	Very high	98.1	Very high	7 Å²	7	60 Å²	60	5%	0.047	29%	0.29	C	S	.	.	S	Bend	trans	-68.3	157.9	-177.1	83.2	0	0	0	0	112	C339 T343 C344 K345 A372	C339-C341 VanDerWaalsContact C-N 3.35Å; C339-C341 PolarHBondContact O-N 3.34Å; C341-T343 PolarHBondContact O-N 2.98Å; C341-T343 VanDerWaalsContact O-N 3.09Å; C341-C344 PolarHBondContact O-N 2.85Å; C341-C344 PolarHBondContact SG-N 3.41Å; C341-C344 VanDerWaalsContact SG-N 3.37Å; C341-K345 PolarHBondContact O-N 3.27Å; C341-K345 VanDerWaalsContact O-N 3.11Å; C341-A372 HydrophobicContact CB-CB 3.57Å
342	P	97.9	Very high	98	Very high	54 Å²	54	58.4 Å²	58.4	35%	0.351	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-32.1	177.4	-30.5	37.7	0	0	0	114.7	R346 I368	P342-R346 WeakPolarHBondContact O-CG 3.15Å; P342-I368 HydrophobicContact CB-CG2 4.41Å; P342-I368 HydrophobicContact CG-CG2 4.35Å
343	T	98.3	Very high	98	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-53.9	178.8	-59.8	0	0	0	0	111.4	I335 C341 K345 R346 H347 L352 H365 H369	I335-T343 HydrophobicContact CD1-CG2 3.9Å; C341-T343 PolarHBondContact O-N 2.98Å; C341-T343 VanDerWaalsContact O-N 3.09Å; T343-K345 VanDerWaalsContact C-N 3.26Å; T343-K345 PolarHBondContact O-N 2.93Å; T343-R346 PolarHBondContact O-N 3.43Å; T343-R346 VanDerWaalsContact O-N 3.13Å; T343-H347 HydrophobicContact CG2-CB 4.5Å; T343-H347 PolarHBondContact O-N 3.5Å; T343-L352 HydrophobicContact CG2-CD1 4.2Å; T343-H365 HydrophobicContact CG2-CB 3.85Å; T343-H365 PolarHBondContact OG1-O 2.88Å; T343-H369 HydrophobicContact CG2-CB 4.35Å
344	C	98.5	Very high	98	Very high	12 Å²	12	48.7 Å²	48.7	8%	0.081	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.4	-178.6	-73.4	0	0	0	0	112.9	P334 C339 C341 R346 H369	P334-C344 HydrophobicContact CB-CB 4.05Å; P334-C344 WeakPolarHBondContact CB-O 3.37Å; C339-C344 HydrophobicContact CB-CB 4.08Å; C339-C344 VanDerWaalsContact O-CB 3.27Å; C339-C344 WeakPolarHBondContact O-CB 3.23Å; C341-C344 PolarHBondContact O-N 2.85Å; C341-C344 PolarHBondContact SG-N 3.41Å; C341-C344 VanDerWaalsContact SG-N 3.37Å; C344-R346 VanDerWaalsContact C-N 3.28Å; C344-R346 PolarHBondContact O-N 3.08Å; C344-H369 VanDerWaalsContact SG-CE1 3.6Å; C344-H369 PolarHBondContact SG-ND1 3.2Å
345	K	98.1	Very high	97.9	Very high	135 Å²	135	48.7 Å²	48.7	59%	0.587	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.7	176.1	-73.1	-174.8	172.2	178.1	0	114.8	Q340 C341 T343	Q340-K345 WeakPolarHBondContact O-CE 3.43Å; C341-K345 PolarHBondContact O-N 3.27Å; C341-K345 VanDerWaalsContact O-N 3.11Å; T343-K345 VanDerWaalsContact C-N 3.26Å; T343-K345 PolarHBondContact O-N 2.93Å
346	R	97.3	Very high	97.6	Very high	184 Å²	184	50.5 Å²	50.5	69%	0.694	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.5	-23.2	-167.5	-64.1	-175.7	-179.9	116.9	-3.3	114.7	P342 T343 C344	P342-R346 WeakPolarHBondContact O-CG 3.15Å; T343-R346 PolarHBondContact O-N 3.43Å; T343-R346 VanDerWaalsContact O-N 3.13Å; C344-R346 VanDerWaalsContact C-N 3.28Å; C344-R346 PolarHBondContact O-N 3.08Å
347	H	98.1	Very high	96.9	Very high	35 Å²	35	57.2 Å²	57.2	16%	0.162	28%	0.282	C	S	.	.			trans	-128.3	134.9	-170.1	-55.9	103.9	0	0	0	111.5	T343 Y351 L352 H365	T343-H347 HydrophobicContact CG2-CB 4.5Å; T343-H347 PolarHBondContact O-N 3.5Å; H347-Y351 HydrophobicContact CB-CD1 3.93Å; H347-Y351 AromaticContact CD2-CD1 3.36Å; H347-Y351 WeakPolarHBondContact CD2-CD1 3.38Å; H347-Y351 AromaticContact CD2-CE1 3.14Å; H347-Y351 WeakPolarHBondContact CD2-CE1 3.46Å; H347-Y351 AromaticContact CD2-CZ 3.95Å; H347-Y351 AromaticContact CG-CD1 3.9Å; H347-Y351 AromaticContact CG-CE1 4Å; H347-Y351 AromaticContact NE2-CE1 3.76Å; H347-L352 HydrophobicContact CB-CD2 4.32Å; H347-L352 HydrophobicContact CB-CG 4.35Å; H347-H365 AromaticContact CE1-CE1 3.54Å; H347-H365 AromaticContact CE1-ND1 3.83Å; H347-H365 AromaticContact CE1-NE2 3.69Å; H347-H365 AromaticContact NE2-NE2 3.84Å
348	S	98.4	Very high	96.6	Very high	24 Å²	24	58 Å²	58	17%	0.168	29%	0.289	C	S	.	.			trans	-83.9	163	171.2	64.2	0	0	0	0	112	F332 Q333 A350 Y351 L352	F332-S348 WeakPolarHBondContact O-CB 3.3Å; Q333-S348 CarbonylContact O-C 3.55Å; Q333-S348 VanDerWaalsContact O-CA 3.3Å; Q333-S348 WeakPolarHBondContact O-CA 3.49Å; S348-A350 VanDerWaalsContact C-N 3.26Å; S348-A350 PolarHBondContact O-N 3.36Å; S348-Y351 PolarHBondContact O-N 2.55Å; S348-Y351 PolarHBondContact OG-N 3.46Å; S348-Y351 VanDerWaalsContact OG-N 3.14Å; S348-L352 WeakPolarHBondContact O-CG 3.41Å; S348-L352 PolarHBondContact O-N 3.4Å; S348-L352 VanDerWaalsContact O-N 3.11Å
349	R	98.5	Very high	96.4	Very high	33 Å²	33	57.2 Å²	57.2	13%	0.125	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-37.9	170.9	-66.1	162.4	-177.6	179.5	3.7	111.6	Y328 D331 Q333 P334 I335 L352 H353	Y328-R349 HydrophobicContact CD1-CB 4.18Å; Y328-R349 HydrophobicContact CD1-CG 4.47Å; D331-R349 HydrophobicContact CB-CB 4.15Å; D331-R349 VanDerWaalsContact CG-CD 3.5Å; D331-R349 WeakPolarHBondContact OD2-CD 3.17Å; D331-R349 IonicContact OD2-CZ 3.13Å; D331-R349 IonicContact OD2-NE 3.34Å; D331-R349 IonicContact OD2-NH1 3.63Å; D331-R349 PolarHBondContact OD2-NH1 3.1Å; Q333-R349 WeakPolarHBondContact O-CG 3.49Å; Q333-R349 PolarHBondContact O-N 3.48Å; P334-R349 PolarHBondContact O-NE 2.87Å; P334-R349 PolarHBondContact O-NH2 3.48Å; I335-R349 PolarHBondContact O-NE 2.68Å; I335-R349 PolarHBondContact O-NH2 2.77Å; R349-L352 PolarHBondContact O-N 2.86Å; R349-H353 WeakPolarHBondContact O-CB 3.08Å; R349-H353 PolarHBondContact O-N 3.18Å
350	A	98.3	Very high	96.2	Very high	9 Å²	9	61 Å²	61	7%	0.074	31%	0.308	C	S	.	.	H	α-helix	trans	-62.6	-43	175.5	0	0	0	0	0	113.1	Y328 D331 F332 S348 H353 A354	Y328-A350 WeakPolarHBondContact O-CA 3.07Å; Y328-A350 PolarHBondContact O-N 3.23Å; D331-A350 VanDerWaalsContact O-CB 3.27Å; D331-A350 WeakPolarHBondContact O-CB 3.47Å; D331-A350 PolarHBondContact O-N 3.49Å; F332-A350 HydrophobicContact CD1-CB 4.32Å; F332-A350 HydrophobicContact CE1-CB 4.3Å; S348-A350 VanDerWaalsContact C-N 3.26Å; S348-A350 PolarHBondContact O-N 3.36Å; A350-H353 PolarHBondContact O-N 3.14Å; A350-A354 WeakPolarHBondContact O-CB 3.31Å; A350-A354 PolarHBondContact O-N 3.25Å
351	Y	98.1	Very high	96.1	Very high	101 Å²	101	56.3 Å²	56.3	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-47.6	175.4	177.6	-99.4	0	0	0	111.3	H347 S348 H353 A354 L355	H347-Y351 HydrophobicContact CB-CD1 3.93Å; H347-Y351 AromaticContact CD2-CD1 3.36Å; H347-Y351 WeakPolarHBondContact CD2-CD1 3.38Å; H347-Y351 AromaticContact CD2-CE1 3.14Å; H347-Y351 WeakPolarHBondContact CD2-CE1 3.46Å; H347-Y351 AromaticContact CD2-CZ 3.95Å; H347-Y351 AromaticContact CG-CD1 3.9Å; H347-Y351 AromaticContact CG-CE1 4Å; H347-Y351 AromaticContact NE2-CE1 3.76Å; S348-Y351 PolarHBondContact O-N 2.55Å; S348-Y351 PolarHBondContact OG-N 3.46Å; S348-Y351 VanDerWaalsContact OG-N 3.14Å; Y351-H353 VanDerWaalsContact C-N 3.35Å; Y351-H353 PolarHBondContact O-N 3.34Å; Y351-A354 PolarHBondContact O-N 3.29Å; Y351-L355 HydrophobicContact CD1-CD1 4Å; Y351-L355 HydrophobicContact CD1-CG 4.34Å; Y351-L355 HydrophobicContact CE1-CD1 3.23Å; Y351-L355 HydrophobicContact CE1-CG 3.92Å; Y351-L355 HydrophobicContact CE2-CD1 4.18Å; Y351-L355 HydrophobicContact CE2-CG 4.17Å; Y351-L355 PolarHBondContact O-N 3.09Å; Y351-L355 WeakPolarHBondContact OH-CD1 3.47Å
352	L	98	Very high	96	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-39.7	178	-63.6	173.1	0	0	0	112	I335 T343 H347 S348 R349 F356 H365	I335-L352 HydrophobicContact CD1-CD1 3.57Å; I335-L352 HydrophobicContact CG1-CD1 3.66Å; T343-L352 HydrophobicContact CG2-CD1 4.2Å; H347-L352 HydrophobicContact CB-CD2 4.32Å; H347-L352 HydrophobicContact CB-CG 4.35Å; S348-L352 WeakPolarHBondContact O-CG 3.41Å; S348-L352 PolarHBondContact O-N 3.4Å; S348-L352 VanDerWaalsContact O-N 3.11Å; R349-L352 PolarHBondContact O-N 2.86Å; L352-F356 WeakPolarHBondContact O-CB 3.34Å; L352-F356 PolarHBondContact O-N 3.24Å; L352-H365 HydrophobicContact CD2-CB 3.77Å
353	H	97.8	Very high	95.8	Very high	12 Å²	12	56.1 Å²	56.1	6%	0.056	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-46.3	174.4	177.1	91.2	0	0	0	112	V323 K324 Q325 R349 A350 Y351 K357	V323-H353 WeakPolarHBondContact O-CB 3.49Å; V323-H353 PolarHBondContact O-ND1 3.46Å; K324-H353 PolarHBondContact O-CE1 3.41Å; Q325-H353 PolarHBondContact O-CE1 3.39Å; Q325-H353 VanDerWaalsContact O-CE1 3.23Å; Q325-H353 PolarHBondContact O-ND1 2.7Å; Q325-H353 VanDerWaalsContact O-ND1 3.13Å; R349-H353 WeakPolarHBondContact O-CB 3.08Å; R349-H353 PolarHBondContact O-N 3.18Å; A350-H353 PolarHBondContact O-N 3.14Å; Y351-H353 VanDerWaalsContact C-N 3.35Å; Y351-H353 PolarHBondContact O-N 3.34Å; H353-K357 PolarHBondContact NE2-NZ 2.82Å
354	A	97.3	Very high	95.8	Very high	57 Å²	57	58.5 Å²	58.5	47%	0.471	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-51.7	179.5	0	0	0	0	0	110.8	A350 Y351 F356 K357 S358	A350-A354 WeakPolarHBondContact O-CB 3.31Å; A350-A354 PolarHBondContact O-N 3.25Å; Y351-A354 PolarHBondContact O-N 3.29Å; A354-F356 VanDerWaalsContact C-N 3.31Å; A354-F356 PolarHBondContact O-N 3.31Å; A354-K357 PolarHBondContact O-N 3.37Å; A354-S358 PolarHBondContact O-OG 3.33Å
355	L	96.4	Very high	95.7	Very high	27 Å²	27	59.4 Å²	59.4	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-35.7	-179.9	-76.9	-166.3	0	0	0	113.1	Y351 K357 S358 D359 A361 A362	Y351-L355 HydrophobicContact CD1-CD1 4Å; Y351-L355 HydrophobicContact CD1-CG 4.34Å; Y351-L355 HydrophobicContact CE1-CD1 3.23Å; Y351-L355 HydrophobicContact CE1-CG 3.92Å; Y351-L355 HydrophobicContact CE2-CD1 4.18Å; Y351-L355 HydrophobicContact CE2-CG 4.17Å; Y351-L355 PolarHBondContact O-N 3.09Å; Y351-L355 WeakPolarHBondContact OH-CD1 3.47Å; L355-K357 PolarHBondContact O-N 2.97Å; L355-S358 PolarHBondContact O-N 2.84Å; L355-S358 PolarHBondContact O-OG 2.84Å; L355-D359 HydrophobicContact CD2-CB 4.16Å; L355-D359 PolarHBondContact O-N 2.81Å; L355-A361 HydrophobicContact CD1-CB 4.09Å; L355-A362 HydrophobicContact CB-CB 3.8Å
356	F	92.7	Very high	95.7	Very high	38 Å²	38	53 Å²	53	17%	0.167	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-26.2	-175.2	-158.2	-81.4	0	0	0	113.2	R310 G312 V323 K324 L352 A354 A362 M363 I366	R310-F356 WeakPolarHBondContact O-CZ 3.16Å; G312-F356 VanDerWaalsContact CA-CZ 3.46Å; V323-F356 HydrophobicContact CG2-CD2 4.14Å; K324-F356 HydrophobicContact CD-CD1 3.68Å; K324-F356 HydrophobicContact CD-CE1 3.5Å; K324-F356 HydrophobicContact CD-CZ 4.32Å; K324-F356 HydrophobicContact CG-CD1 3.51Å; K324-F356 HydrophobicContact CG-CE1 3.81Å; K324-F356 HydrophobicContact CG-CG 4.07Å; L352-F356 WeakPolarHBondContact O-CB 3.34Å; L352-F356 PolarHBondContact O-N 3.24Å; A354-F356 VanDerWaalsContact C-N 3.31Å; A354-F356 PolarHBondContact O-N 3.31Å; F356-A362 HydrophobicContact CB-CB 3.92Å; F356-A362 HydrophobicContact CD2-CB 3.79Å; F356-A362 HydrophobicContact CG-CB 4.28Å; F356-M363 HydrophobicContact CE2-CG 3.83Å; F356-M363 HydrophobicContact CZ-CG 4.21Å; F356-I366 HydrophobicContact CD2-CD1 3.83Å; F356-I366 HydrophobicContact CE2-CD1 4Å
357	K	84.6	Confident	95.8	Very high	150 Å²	150	44.4 Å²	44.4	65%	0.652	24%	0.24	S	C	*	.	H	α-helix	trans	-86.4	-20	177.8	-67.4	173.1	179.4	162.8	0	113.5	H353 A354 L355	H353-K357 PolarHBondContact NE2-NZ 2.82Å; A354-K357 PolarHBondContact O-N 3.37Å; L355-K357 PolarHBondContact O-N 2.97Å
358	S	90.1	Very high	95.8	Very high	92 Å²	92	43.1 Å²	43.1	64%	0.643	23%	0.234	S	C	*	.	H	α-helix	trans	-122.5	-20.1	-166.6	62.1	0	0	0	0	114.4	A354 L355	A354-S358 PolarHBondContact O-OG 3.33Å; L355-S358 PolarHBondContact O-N 2.84Å; L355-S358 PolarHBondContact O-OG 2.84Å
359	D	93.8	Very high	95.8	Very high	84 Å²	84	42 Å²	42	45%	0.449	23%	0.226	S	C	.	.			trans	-151.5	146	-171.9	-158	-65	0	0	0	112.9	L355 A361	L355-D359 HydrophobicContact CD2-CB 4.16Å; L355-D359 PolarHBondContact O-N 2.81Å; D359-A361 PolarHBondContact O-N 2.75Å; D359-A361 VanDerWaalsContact OD1-CB 3.3Å; D359-A361 WeakPolarHBondContact OD1-CB 3.32Å; D359-A361 PolarHBondContact OD1-N 2.89Å
360	T	93	Very high	95.8	Very high	101 Å²	101	40.4 Å²	40.4	62%	0.62	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.8	174.9	62.9	0	0	0	0	114.2	A362 M363 H364	T360-A362 PolarHBondContact O-N 2.75Å; T360-M363 HydrophobicContact CG2-CE 3.86Å; T360-M363 WeakPolarHBondContact O-CB 3.45Å; T360-M363 PolarHBondContact O-N 2.76Å; T360-H364 PolarHBondContact O-N 2.72Å
361	A	95.3	Very high	95.8	Very high	27 Å²	27	40 Å²	40	22%	0.223	22%	0.216	C	C	.	.	H	α-helix	trans	-57.5	-30.8	179.2	0	0	0	0	0	113.1	L355 D359 M363 H364 H365	L355-A361 HydrophobicContact CD1-CB 4.09Å; D359-A361 PolarHBondContact O-N 2.75Å; D359-A361 VanDerWaalsContact OD1-CB 3.3Å; D359-A361 WeakPolarHBondContact OD1-CB 3.32Å; D359-A361 PolarHBondContact OD1-N 2.89Å; A361-M363 VanDerWaalsContact C-N 3.34Å; A361-M363 PolarHBondContact O-N 3.4Å; A361-H364 WeakPolarHBondContact O-CB 3.49Å; A361-H364 PolarHBondContact O-N 3.15Å; A361-H365 PolarHBondContact O-CD2 3.11Å; A361-H365 PolarHBondContact O-N 2.67Å
362	A	95.3	Very high	95.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-44.7	173.8	0	0	0	0	0	111.8	L355 F356 T360 H364 H365 I366	L355-A362 HydrophobicContact CB-CB 3.8Å; F356-A362 HydrophobicContact CB-CB 3.92Å; F356-A362 HydrophobicContact CD2-CB 3.79Å; F356-A362 HydrophobicContact CG-CB 4.28Å; T360-A362 PolarHBondContact O-N 2.75Å; A362-H364 VanDerWaalsContact C-N 3.3Å; A362-H364 PolarHBondContact O-N 2.95Å; A362-H365 PolarHBondContact O-N 3.48Å; A362-I366 WeakPolarHBondContact O-CB 3.3Å; A362-I366 WeakPolarHBondContact O-CD1 3.34Å; A362-I366 WeakPolarHBondContact O-CG1 3.33Å; A362-I366 PolarHBondContact O-N 3.15Å
363	M	95.3	Very high	95.8	Very high	58 Å²	58	36.6 Å²	36.6	29%	0.286	20%	0.204	S	C	.	.	H	α-helix	trans	-64.1	-37.5	178.5	-65	-176.3	-82.3	0	0	111.4	R310 F356 T360 A361 T367	R310-M363 HydrophobicContact CB-SD 4.07Å; R310-M363 HydrophobicContact CG-SD 4.1Å; F356-M363 HydrophobicContact CE2-CG 3.83Å; F356-M363 HydrophobicContact CZ-CG 4.21Å; T360-M363 HydrophobicContact CG2-CE 3.86Å; T360-M363 WeakPolarHBondContact O-CB 3.45Å; T360-M363 PolarHBondContact O-N 2.76Å; A361-M363 VanDerWaalsContact C-N 3.34Å; A361-M363 PolarHBondContact O-N 3.4Å; M363-T367 VanDerWaalsContact O-CB 3.28Å; M363-T367 WeakPolarHBondContact O-CB 3.38Å; M363-T367 PolarHBondContact O-N 3.43Å; M363-T367 PolarHBondContact O-OG1 2.91Å
364	H	96.9	Very high	95.9	Very high	49 Å²	49	36 Å²	36	23%	0.227	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-53.4	174	173.6	80.1	0	0	0	111.6	G78 Q83 T360 A361 A362 I366 T367 I368	G78-H364 PolarHBondContact O-CE1 3.31Å; G78-H364 PolarHBondContact O-ND1 2.79Å; Q83-H364 PolarHBondContact NE2-CE1 2.91Å; Q83-H364 PolarHBondContact NE2-NE2 3.34Å; Q83-H364 VanDerWaalsContact NE2-NE2 3.11Å; Q83-H364 PolarHBondContact OE1-CE1 3.13Å; Q83-H364 VanDerWaalsContact OE1-CE1 3.26Å; T360-H364 PolarHBondContact O-N 2.72Å; A361-H364 WeakPolarHBondContact O-CB 3.49Å; A361-H364 PolarHBondContact O-N 3.15Å; A362-H364 VanDerWaalsContact C-N 3.3Å; A362-H364 PolarHBondContact O-N 2.95Å; H364-I366 PolarHBondContact O-N 3.35Å; H364-T367 WeakPolarHBondContact O-CB 3.5Å; H364-T367 PolarHBondContact O-N 2.68Å; H364-T367 VanDerWaalsContact O-N 3.14Å; H364-I368 VanDerWaalsContact NE2-CD1 3.33Å; H364-I368 WeakPolarHBondContact NE2-CD1 3.5Å; H364-I368 PolarHBondContact O-N 3.4Å
365	H	97.8	Very high	95.9	Very high	31 Å²	31	33.9 Å²	33.9	14%	0.144	18%	0.182	C	C	.	.	H	α-helix	trans	-63.6	-39.6	-179	-68	-44.5	0	0	0	113.1	T343 H347 L352 A361 A362 T367 I368 H369	T343-H365 HydrophobicContact CG2-CB 3.85Å; T343-H365 PolarHBondContact OG1-O 2.88Å; H347-H365 AromaticContact CE1-CE1 3.54Å; H347-H365 AromaticContact CE1-ND1 3.83Å; H347-H365 AromaticContact CE1-NE2 3.69Å; H347-H365 AromaticContact NE2-NE2 3.84Å; L352-H365 HydrophobicContact CD2-CB 3.77Å; A361-H365 PolarHBondContact O-CD2 3.11Å; A361-H365 PolarHBondContact O-N 2.67Å; A362-H365 PolarHBondContact O-N 3.48Å; H365-T367 VanDerWaalsContact C-N 3.32Å; H365-I368 PolarHBondContact O-N 3.25Å; H365-H369 PolarHBondContact O-N 3.44Å
366	I	97.8	Very high	96	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68.3	-35.1	176.2	-61.2	162.2	0	0	0	110.4	A309 S313 A314 V323 F356 A362 H364 H369 N370	A309-I366 HydrophobicContact CB-CB 4.04Å; A309-I366 HydrophobicContact CB-CG2 3.65Å; S313-I366 WeakPolarHBondContact O-CG2 3.42Å; A314-I366 HydrophobicContact CB-CG2 4.05Å; V323-I366 HydrophobicContact CG2-CD1 3.62Å; F356-I366 HydrophobicContact CD2-CD1 3.83Å; F356-I366 HydrophobicContact CE2-CD1 4Å; A362-I366 WeakPolarHBondContact O-CB 3.3Å; A362-I366 WeakPolarHBondContact O-CD1 3.34Å; A362-I366 WeakPolarHBondContact O-CG1 3.33Å; A362-I366 PolarHBondContact O-N 3.15Å; H364-I366 PolarHBondContact O-N 3.35Å; I366-H369 PolarHBondContact O-N 3.1Å; I366-N370 WeakPolarHBondContact O-CB 3.38Å; I366-N370 PolarHBondContact O-N 3.25Å; I366-N370 PolarHBondContact O-OD1 3.18Å
367	T	97.8	Very high	96.3	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-64.6	-45.7	175.5	-60.8	0	0	0	0	111.5	I79 T306 A309 M363 H364 H365 H369 N370 I371	I79-T367 HydrophobicContact CD1-CG2 3.83Å; I79-T367 HydrophobicContact CG1-CG2 3.66Å; T306-T367 HydrophobicContact CG2-CG2 3.64Å; A309-T367 VanDerWaalsContact CB-OG1 3.26Å; A309-T367 WeakPolarHBondContact CB-OG1 3.32Å; M363-T367 VanDerWaalsContact O-CB 3.28Å; M363-T367 WeakPolarHBondContact O-CB 3.38Å; M363-T367 PolarHBondContact O-N 3.43Å; M363-T367 PolarHBondContact O-OG1 2.91Å; H364-T367 WeakPolarHBondContact O-CB 3.5Å; H364-T367 PolarHBondContact O-N 2.68Å; H364-T367 VanDerWaalsContact O-N 3.14Å; H365-T367 VanDerWaalsContact C-N 3.32Å; T367-H369 VanDerWaalsContact C-N 3.29Å; T367-H369 PolarHBondContact O-N 2.93Å; T367-N370 PolarHBondContact O-N 3.09Å; T367-I371 HydrophobicContact CG2-CD1 3.81Å; T367-I371 HydrophobicContact CG2-CG1 4.46Å; T367-I371 WeakPolarHBondContact O-CG1 3.4Å; T367-I371 PolarHBondContact O-N 3.05Å
368	I	98.2	Very high	97	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.041	16%	0.158	C	C	.	.	H	α-helix	trans	-54.9	-48.2	173.2	-70.2	175.4	0	0	0	110.3	I79 L87 P342 H364 H365 A372	I79-I368 HydrophobicContact CD1-CD1 4.39Å; I79-I368 HydrophobicContact CD1-CG1 3.59Å; L87-I368 HydrophobicContact CD1-CG2 4.3Å; L87-I368 HydrophobicContact CD2-CG2 4.21Å; P342-I368 HydrophobicContact CB-CG2 4.41Å; P342-I368 HydrophobicContact CG-CG2 4.35Å; H364-I368 VanDerWaalsContact NE2-CD1 3.33Å; H364-I368 WeakPolarHBondContact NE2-CD1 3.5Å; H364-I368 PolarHBondContact O-N 3.4Å; H365-I368 PolarHBondContact O-N 3.25Å; I368-A372 WeakPolarHBondContact O-CB 3.29Å; I368-A372 PolarHBondContact O-N 3.21Å
369	H	98.6	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-48.3	179.8	175.9	77.7	0	0	0	112.3	L315 I335 T343 C344 H365 I366 T367 I371 A372 Y373	L315-H369 PolarHBondContact O-NE2 3.19Å; I335-H369 HydrophobicContact CD1-CB 3.89Å; I335-H369 VanDerWaalsContact CG2-NE2 3.34Å; I335-H369 WeakPolarHBondContact CG2-NE2 3.21Å; T343-H369 HydrophobicContact CG2-CB 4.35Å; C344-H369 VanDerWaalsContact SG-CE1 3.6Å; C344-H369 PolarHBondContact SG-ND1 3.2Å; H365-H369 PolarHBondContact O-N 3.44Å; I366-H369 PolarHBondContact O-N 3.1Å; T367-H369 VanDerWaalsContact C-N 3.29Å; T367-H369 PolarHBondContact O-N 2.93Å; H369-I371 PolarHBondContact O-N 2.82Å; H369-A372 WeakPolarHBondContact O-CB 3.32Å; H369-A372 PolarHBondContact O-N 3.07Å; H369-Y373 PolarHBondContact O-N 2.83Å
370	N	98.6	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-37.4	-177.5	-71.7	-3.8	0	0	0	112.3	P305 T308 S313 A314 L315 I366 T367 Y373 Q374	P305-N370 HydrophobicContact CB-CB 3.71Å; P305-N370 WeakPolarHBondContact O-CB 3.45Å; P305-N370 PolarHBondContact O-ND2 2.76Å; T308-N370 WeakPolarHBondContact CG2-ND2 3.34Å; S313-N370 PolarHBondContact O-ND2 3.04Å; A314-N370 WeakPolarHBondContact CA-OD1 3.27Å; L315-N370 HydrophobicContact CD1-CB 4.02Å; L315-N370 HydrophobicContact CG-CB 4.18Å; L315-N370 PolarHBondContact N-OD1 3.16Å; I366-N370 WeakPolarHBondContact O-CB 3.38Å; I366-N370 PolarHBondContact O-N 3.25Å; I366-N370 PolarHBondContact O-OD1 3.18Å; T367-N370 PolarHBondContact O-N 3.09Å; N370-Y373 PolarHBondContact O-N 3.46Å; N370-Q374 WeakPolarHBondContact O-CG 3.41Å; N370-Q374 PolarHBondContact O-N 3.34Å
371	I	98.2	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.7	-46.1	172.9	-66.7	166	0	0	0	109.9	P69 L76 I79 L84 L87 T306 T367 H369 Y373 Q374 L375	P69-I371 HydrophobicContact CG-CG2 3.92Å; L76-I371 HydrophobicContact CD2-CD1 3.49Å; L76-I371 VanDerWaalsContact CD2-CD1 3.49Å; I79-I371 HydrophobicContact CG1-CD1 4.33Å; L84-I371 HydrophobicContact CD1-CG2 3.96Å; L87-I371 HydrophobicContact CD1-CB 4.04Å; L87-I371 HydrophobicContact CD1-CG2 3.76Å; T306-I371 HydrophobicContact CG2-CD1 4.11Å; T306-I371 HydrophobicContact CG2-CG1 4.35Å; T367-I371 HydrophobicContact CG2-CD1 3.81Å; T367-I371 HydrophobicContact CG2-CG1 4.46Å; T367-I371 WeakPolarHBondContact O-CG1 3.4Å; T367-I371 PolarHBondContact O-N 3.05Å; H369-I371 PolarHBondContact O-N 2.82Å; I371-Y373 VanDerWaalsContact C-N 3.26Å; I371-Y373 PolarHBondContact O-N 3.47Å; I371-Q374 PolarHBondContact O-N 3.25Å; I371-L375 HydrophobicContact CG2-CD1 3.76Å; I371-L375 HydrophobicContact CG2-CG 4.16Å; I371-L375 WeakPolarHBondContact O-CG 3.34Å; I371-L375 PolarHBondContact O-N 3.39Å
372	A	98.6	Very high	98.1	Very high	6 Å²	6	23.1 Å²	23.1	5%	0.05	11%	0.113	C	C	.	.	H	α-helix	trans	-57.9	-39.8	177.7	0	0	0	0	0	112.2	L87 C341 I368 H369 T376	L87-A372 HydrophobicContact CD1-CB 4.45Å; L87-A372 HydrophobicContact CD2-CB 3.85Å; C341-A372 HydrophobicContact CB-CB 3.57Å; I368-A372 WeakPolarHBondContact O-CB 3.29Å; I368-A372 PolarHBondContact O-N 3.21Å; H369-A372 WeakPolarHBondContact O-CB 3.32Å; H369-A372 PolarHBondContact O-N 3.07Å; A372-T376 VanDerWaalsContact O-CB 3.22Å; A372-T376 WeakPolarHBondContact O-CB 3.49Å; A372-T376 PolarHBondContact O-N 2.94Å; A372-T376 PolarHBondContact O-OG1 3.34Å
373	Y	98.7	Very high	98.3	Very high	23 Å²	23	27.1 Å²	27.1	9%	0.09	13%	0.132	C	C	.	.	H	α-helix	trans	-59.2	-52.6	174.6	175.1	-92.5	0	0	0	111.6	A286 L315 P317 H369 N370 I371 L375 T376 L377	A286-Y373 HydrophobicContact CB-CE1 4.21Å; L315-Y373 HydrophobicContact CB-CD1 3.64Å; L315-Y373 HydrophobicContact CB-CD2 4.38Å; L315-Y373 HydrophobicContact CB-CE1 4.1Å; L315-Y373 HydrophobicContact CB-CG 3.81Å; L315-Y373 HydrophobicContact CD1-CD1 3.75Å; L315-Y373 HydrophobicContact CD1-CE1 4.33Å; L315-Y373 HydrophobicContact CG-CD1 4.34Å; P317-Y373 HydrophobicContact CG-CE2 4.19Å; H369-Y373 PolarHBondContact O-N 2.83Å; N370-Y373 PolarHBondContact O-N 3.46Å; I371-Y373 VanDerWaalsContact C-N 3.26Å; I371-Y373 PolarHBondContact O-N 3.47Å; Y373-L375 PolarHBondContact O-N 2.99Å; Y373-T376 PolarHBondContact O-N 3.37Å; Y373-L377 HydrophobicContact CE1-CD2 4.34Å; Y373-L377 WeakPolarHBondContact O-CB 3.5Å; Y373-L377 PolarHBondContact O-N 3.24Å
374	Q	98.5	Very high	98.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-43.7	-178.4	-64.2	-73.2	74.7	0	0	112.2	F67 G284 P305 L315 N370 I371 T376 L377 M378	F67-Q374 HydrophobicContact CB-CB 4.41Å; F67-Q374 HydrophobicContact CD1-CB 3.65Å; F67-Q374 HydrophobicContact CD1-CG 4.23Å; F67-Q374 HydrophobicContact CE1-CB 4.03Å; F67-Q374 HydrophobicContact CE1-CG 4.12Å; F67-Q374 HydrophobicContact CG-CB 3.94Å; F67-Q374 HydrophobicContact CZ-CG 4.35Å; G284-Q374 PolarHBondContact O-NE2 2.86Å; P305-Q374 HydrophobicContact CB-CG 4.11Å; P305-Q374 HydrophobicContact CG-CG 4.19Å; L315-Q374 HydrophobicContact CD1-CG 4.27Å; N370-Q374 WeakPolarHBondContact O-CG 3.41Å; N370-Q374 PolarHBondContact O-N 3.34Å; I371-Q374 PolarHBondContact O-N 3.25Å; Q374-T376 VanDerWaalsContact C-N 3.32Å; Q374-T376 PolarHBondContact O-N 3.45Å; Q374-L377 PolarHBondContact O-N 2.98Å; Q374-M378 WeakPolarHBondContact O-CG 3.43Å; Q374-M378 PolarHBondContact O-N 3.4Å; Q374-M378 VanDerWaalsContact O-N 3.08Å
375	L	98.6	Very high	98.5	Very high	11 Å²	11	22.1 Å²	22.1	6%	0.058	11%	0.108	C	C	.	.	H	α-helix	trans	-64.8	-38.4	177.6	-64.4	177.4	0	0	0	111.6	L87 C89 I371 Y373 R379	L87-L375 HydrophobicContact CB-CD1 3.99Å; C89-L375 HydrophobicContact CB-CD1 3.84Å; I371-L375 HydrophobicContact CG2-CD1 3.76Å; I371-L375 HydrophobicContact CG2-CG 4.16Å; I371-L375 WeakPolarHBondContact O-CG 3.34Å; I371-L375 PolarHBondContact O-N 3.39Å; Y373-L375 PolarHBondContact O-N 2.99Å; L375-R379 WeakPolarHBondContact O-CB 3.41Å; L375-R379 WeakPolarHBondContact O-CG 3.3Å; L375-R379 PolarHBondContact O-N 3.38Å; L375-R379 PolarHBondContact O-NE 3.36Å
376	T	98.6	Very high	98.6	Very high	59 Å²	59	23.3 Å²	23.3	36%	0.362	12%	0.117	S	C	.	.	H	α-helix	trans	-70.8	-39.7	177.4	-57.4	0	0	0	0	111.2	A372 Y373 Q374 M378 R379 S380	A372-T376 VanDerWaalsContact O-CB 3.22Å; A372-T376 WeakPolarHBondContact O-CB 3.49Å; A372-T376 PolarHBondContact O-N 2.94Å; A372-T376 PolarHBondContact O-OG1 3.34Å; Y373-T376 PolarHBondContact O-N 3.37Å; Q374-T376 VanDerWaalsContact C-N 3.32Å; Q374-T376 PolarHBondContact O-N 3.45Å; T376-M378 PolarHBondContact O-N 3.09Å; T376-R379 PolarHBondContact O-N 3.18Å; T376-S380 PolarHBondContact O-N 3.2Å; T376-S380 PolarHBondContact O-OG 3.42Å; T376-S380 VanDerWaalsContact O-OG 3.12Å
377	L	98.8	Very high	98.6	Very high	14 Å²	14	28 Å²	28	7%	0.073	14%	0.139	C	C	.	.	H	α-helix	trans	-56.8	-50.4	174.6	177.9	61.5	0	0	0	110.8	A286 L289 V290 Y373 Q374 R379 S380 V381 F393 F397	A286-L377 HydrophobicContact CB-CD2 3.9Å; L289-L377 HydrophobicContact CD1-CD2 4.26Å; V290-L377 HydrophobicContact CG2-CD1 4.15Å; Y373-L377 HydrophobicContact CE1-CD2 4.34Å; Y373-L377 WeakPolarHBondContact O-CB 3.5Å; Y373-L377 PolarHBondContact O-N 3.24Å; Q374-L377 PolarHBondContact O-N 2.98Å; L377-R379 PolarHBondContact O-N 2.78Å; L377-S380 PolarHBondContact O-N 3.02Å; L377-V381 HydrophobicContact CD1-CG2 4.41Å; L377-V381 VanDerWaalsContact O-CG2 3.3Å; L377-V381 WeakPolarHBondContact O-CG2 3.37Å; L377-V381 PolarHBondContact O-N 3.39Å; L377-F393 HydrophobicContact CD1-CZ 4.08Å; L377-F397 HydrophobicContact CD1-CD2 4.17Å; L377-F397 HydrophobicContact CD1-CE2 4.01Å
378	M	98.8	Very high	98.6	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-37.8	178.1	-67.8	-61.9	94.5	0	0	112.9	P65 F67 L289 F300 Q374 T376 V381 R382	P65-M378 HydrophobicContact CB-SD 4.18Å; F67-M378 HydrophobicContact CB-CG 3.73Å; L289-M378 HydrophobicContact CB-CE 3.72Å; L289-M378 HydrophobicContact CD1-CE 4.18Å; L289-M378 HydrophobicContact CG-CE 4.46Å; F300-M378 HydrophobicContact CD2-SD 4.2Å; F300-M378 HydrophobicContact CE2-SD 4.35Å; Q374-M378 WeakPolarHBondContact O-CG 3.43Å; Q374-M378 PolarHBondContact O-N 3.4Å; Q374-M378 VanDerWaalsContact O-N 3.08Å; T376-M378 PolarHBondContact O-N 3.09Å; M378-V381 HydrophobicContact CE-CG2 4.06Å; M378-V381 PolarHBondContact O-N 2.9Å; M378-R382 WeakPolarHBondContact O-CB 3.46Å; M378-R382 PolarHBondContact O-N 2.73Å
379	R	98.7	Very high	98.6	Very high	128 Å²	128	34.4 Å²	34.4	48%	0.483	18%	0.176	S	C	.	.	H	α-helix	trans	-61	-44.9	172.2	-79.7	-175.8	-102.8	136.5	-10.7	112.3	L87 L375 T376 L377 R382 Q383	L87-R379 PolarHBondContact O-NH2 3.36Å; L375-R379 WeakPolarHBondContact O-CB 3.41Å; L375-R379 WeakPolarHBondContact O-CG 3.3Å; L375-R379 PolarHBondContact O-N 3.38Å; L375-R379 PolarHBondContact O-NE 3.36Å; T376-R379 PolarHBondContact O-N 3.18Å; L377-R379 PolarHBondContact O-N 2.78Å; R379-R382 PolarHBondContact O-N 3.03Å; R379-Q383 WeakPolarHBondContact O-CB 3.31Å; R379-Q383 PolarHBondContact O-N 3.42Å
380	S	98.8	Very high	98.7	Very high	51 Å²	51	34.5 Å²	34.5	36%	0.357	18%	0.176	S	C	.	.	H	α-helix	trans	-66.2	-41.4	178.2	-63	0	0	0	0	112.2	T376 L377 Q383 S384	T376-S380 PolarHBondContact O-N 3.2Å; T376-S380 PolarHBondContact O-OG 3.42Å; T376-S380 VanDerWaalsContact O-OG 3.12Å; L377-S380 PolarHBondContact O-N 3.02Å; S380-Q383 PolarHBondContact O-N 2.78Å; S380-S384 PolarHBondContact O-N 3.15Å; S380-S384 PolarHBondContact O-OG 2.73Å
381	V	98.9	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-53.9	172.7	168.3	0	0	0	0	109.8	P65 V290 V293 L377 M378 Q383 S384 I385 F390 F393	P65-V381 HydrophobicContact CG-CB 4.3Å; P65-V381 HydrophobicContact CG-CG1 3.56Å; V290-V381 HydrophobicContact CG2-CG2 4.22Å; V293-V381 HydrophobicContact CB-CG1 4.23Å; V293-V381 HydrophobicContact CG1-CG1 3.66Å; V293-V381 HydrophobicContact CG2-CG1 4.22Å; L377-V381 HydrophobicContact CD1-CG2 4.41Å; L377-V381 VanDerWaalsContact O-CG2 3.3Å; L377-V381 WeakPolarHBondContact O-CG2 3.37Å; L377-V381 PolarHBondContact O-N 3.39Å; M378-V381 HydrophobicContact CE-CG2 4.06Å; M378-V381 PolarHBondContact O-N 2.9Å; V381-Q383 VanDerWaalsContact C-N 3.31Å; V381-Q383 PolarHBondContact O-N 2.8Å; V381-S384 PolarHBondContact O-N 3.46Å; V381-S384 VanDerWaalsContact O-N 3.16Å; V381-S384 PolarHBondContact O-OG 3.49Å; V381-I385 HydrophobicContact CG1-CD1 3.99Å; V381-I385 WeakPolarHBondContact O-CG1 3.06Å; V381-I385 PolarHBondContact O-N 2.93Å; V381-I385 VanDerWaalsContact O-N 3.1Å; V381-F390 HydrophobicContact CB-CE2 4.48Å; V381-F390 HydrophobicContact CG1-CD2 4.39Å; V381-F390 HydrophobicContact CG1-CE2 3.71Å; V381-F390 HydrophobicContact CG1-CZ 4.2Å; V381-F390 HydrophobicContact CG2-CE2 4.38Å; V381-F393 HydrophobicContact CB-CE1 4.47Å; V381-F393 HydrophobicContact CG2-CD1 4.29Å; V381-F393 HydrophobicContact CG2-CE1 3.44Å; V381-F393 VanDerWaalsContact CG2-CE1 3.44Å; V381-F393 HydrophobicContact CG2-CZ 3.74Å
382	R	98.8	Very high	98.7	Very high	37 Å²	37	40.3 Å²	40.3	14%	0.14	21%	0.205	C	C	.	.	H	α-helix	trans	-54.9	-47.4	178.1	-171.5	-174.8	-177.2	-66.6	8.9	111.9	A52 D54 T64 M378 R379 S384 I385 V386	A52-R382 HydrophobicContact CB-CG 3.78Å; D54-R382 IonicContact OD1-CZ 3.72Å; D54-R382 IonicContact OD1-NE 2.72Å; D54-R382 IonicContact OD1-NH2 2.75Å; D54-R382 PolarHBondContact OD1-NH2 3.4Å; D54-R382 IonicContact OD2-NH2 3.57Å; T64-R382 WeakPolarHBondContact O-CD 3.42Å; T64-R382 VanDerWaalsContact O-CG 3.31Å; T64-R382 WeakPolarHBondContact O-CG 3.37Å; T64-R382 PolarHBondContact O-NE 3.49Å; M378-R382 WeakPolarHBondContact O-CB 3.46Å; M378-R382 PolarHBondContact O-N 2.73Å; R379-R382 PolarHBondContact O-N 3.03Å; R382-S384 VanDerWaalsContact C-N 3.32Å; R382-S384 PolarHBondContact O-N 2.79Å; R382-I385 PolarHBondContact O-N 3.44Å; R382-V386 VanDerWaalsContact NH1-CG2 3.27Å; R382-V386 PolarHBondContact O-N 3.03Å
383	Q	98.9	Very high	98.7	Very high	84 Å²	84	41.5 Å²	41.5	39%	0.393	21%	0.209	S	C	.	.	H	α-helix	trans	-61.4	-42	-178.7	-169.7	61.2	27.3	0	0	111.5	R379 S380 V381 I385 V386 E387	R379-Q383 WeakPolarHBondContact O-CB 3.31Å; R379-Q383 PolarHBondContact O-N 3.42Å; S380-Q383 PolarHBondContact O-N 2.78Å; V381-Q383 VanDerWaalsContact C-N 3.31Å; V381-Q383 PolarHBondContact O-N 2.8Å; Q383-I385 VanDerWaalsContact C-N 3.31Å; Q383-I385 PolarHBondContact O-N 3.5Å; Q383-V386 PolarHBondContact O-N 3.02Å; Q383-E387 HydrophobicContact CG-CG 4.44Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.13Å; Q383-E387 PolarHBondContact NE2-OE1 2.82Å; Q383-E387 WeakPolarHBondContact O-CB 3.28Å; Q383-E387 WeakPolarHBondContact O-CG 3.15Å; Q383-E387 PolarHBondContact O-N 2.86Å
384	S	98.9	Very high	98.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-32	177.4	68.9	0	0	0	0	113.5	S380 V381 R382 G388 R389 F390	S380-S384 PolarHBondContact O-N 3.15Å; S380-S384 PolarHBondContact O-OG 2.73Å; V381-S384 PolarHBondContact O-N 3.46Å; V381-S384 VanDerWaalsContact O-N 3.16Å; V381-S384 PolarHBondContact O-OG 3.49Å; R382-S384 VanDerWaalsContact C-N 3.32Å; R382-S384 PolarHBondContact O-N 2.79Å; S384-G388 PolarHBondContact O-N 3.05Å; S384-R389 CarbonylContact O-C 3.51Å; S384-R389 PolarHBondContact O-N 2.96Å; S384-F390 PolarHBondContact O-N 3Å; S384-F390 VanDerWaalsContact OG-CD2 3.27Å; S384-F390 WeakPolarHBondContact OG-CD2 3.36Å
385	I	98.9	Very high	98.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-68.3	-46.9	173.5	-62.1	161.9	0	0	0	110.2	A43 A50 A52 P65 V293 V381 R382 Q383 E387 G388 F390	A43-I385 HydrophobicContact CB-CG2 4.36Å; A50-I385 HydrophobicContact CB-CD1 3.84Å; A50-I385 HydrophobicContact CB-CG1 4.07Å; A52-I385 HydrophobicContact CB-CB 4.18Å; A52-I385 HydrophobicContact CB-CG2 3.92Å; P65-I385 HydrophobicContact CG-CD1 4.36Å; V293-I385 HydrophobicContact CG1-CD1 3.86Å; V381-I385 HydrophobicContact CG1-CD1 3.99Å; V381-I385 WeakPolarHBondContact O-CG1 3.06Å; V381-I385 PolarHBondContact O-N 2.93Å; V381-I385 VanDerWaalsContact O-N 3.1Å; R382-I385 PolarHBondContact O-N 3.44Å; Q383-I385 VanDerWaalsContact C-N 3.31Å; Q383-I385 PolarHBondContact O-N 3.5Å; I385-E387 VanDerWaalsContact C-N 3.27Å; I385-E387 PolarHBondContact O-N 3.23Å; I385-G388 PolarHBondContact O-N 3.06Å; I385-F390 HydrophobicContact CG1-CB 3.88Å; I385-F390 HydrophobicContact CG1-CD1 4.13Å; I385-F390 HydrophobicContact CG1-CD2 4.07Å; I385-F390 HydrophobicContact CG1-CG 3.76Å
386	V	98.8	Very high	98.6	Very high	56 Å²	56	46.8 Å²	46.8	34%	0.339	24%	0.242	S	C	.	.	H	α-helix	trans	-61	-37.1	177.9	171	0	0	0	0	112.3	V42 A43 A52 R382 Q383 G388	V42-V386 HydrophobicContact CG1-CG2 4.26Å; A43-V386 HydrophobicContact CB-CB 4.46Å; A43-V386 HydrophobicContact CB-CG2 4.14Å; A52-V386 HydrophobicContact CB-CG2 3.74Å; R382-V386 VanDerWaalsContact NH1-CG2 3.27Å; R382-V386 PolarHBondContact O-N 3.03Å; Q383-V386 PolarHBondContact O-N 3.02Å; V386-G388 VanDerWaalsContact C-N 3.25Å; V386-G388 PolarHBondContact O-N 2.65Å
387	E	98.6	Very high	98.6	Very high	99 Å²	99	44.9 Å²	44.9	46%	0.463	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	2.6	178.4	-69.2	174	178.9	0	0	113.2	Q383 I385 R389	Q383-E387 HydrophobicContact CG-CG 4.44Å; Q383-E387 WeakPolarHBondContact CG-OE1 3.13Å; Q383-E387 PolarHBondContact NE2-OE1 2.82Å; Q383-E387 WeakPolarHBondContact O-CB 3.28Å; Q383-E387 WeakPolarHBondContact O-CG 3.15Å; Q383-E387 PolarHBondContact O-N 2.86Å; I385-E387 VanDerWaalsContact C-N 3.27Å; I385-E387 PolarHBondContact O-N 3.23Å; E387-R389 VanDerWaalsContact C-N 3.27Å; E387-R389 HydrophobicContact CB-CG 3.91Å; E387-R389 PolarHBondContact O-N 3.34Å; E387-R389 IonicContact OE2-CZ 3.73Å; E387-R389 IonicContact OE2-NE 3.4Å; E387-R389 PolarHBondContact OE2-NE 3.4Å; E387-R389 IonicContact OE2-NH2 3.53Å; E387-R389 PolarHBondContact OE2-NH2 3.29Å
388	G	98.3	Very high	98.6	Very high	44 Å²	44	44.2 Å²	44.2	45%	0.454	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	22.1	178.4	0	0	0	0	0	114.8	S384 I385 V386	S384-G388 PolarHBondContact O-N 3.05Å; I385-G388 PolarHBondContact O-N 3.06Å; V386-G388 VanDerWaalsContact C-N 3.25Å; V386-G388 PolarHBondContact O-N 2.65Å
389	R	98.4	Very high	98.4	Very high	103 Å²	103	49.5 Å²	49.5	39%	0.389	25%	0.248	S	C	.	.			trans	-125.8	30.8	-174.9	63.4	168.7	-178	87.9	4.2	114.2	S384 E387 E392 F393	S384-R389 CarbonylContact O-C 3.51Å; S384-R389 PolarHBondContact O-N 2.96Å; E387-R389 VanDerWaalsContact C-N 3.27Å; E387-R389 HydrophobicContact CB-CG 3.91Å; E387-R389 PolarHBondContact O-N 3.34Å; E387-R389 IonicContact OE2-CZ 3.73Å; E387-R389 IonicContact OE2-NE 3.4Å; E387-R389 PolarHBondContact OE2-NE 3.4Å; E387-R389 IonicContact OE2-NH2 3.53Å; E387-R389 PolarHBondContact OE2-NH2 3.29Å; R389-E392 WeakPolarHBondContact CA-OE2 3.22Å; R389-F393 PolarHBondContact O-N 2.92Å; R389-F393 VanDerWaalsContact O-N 3.13Å
390	F	98.8	Very high	98.3	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-67.1	-39	-178.8	-177.2	-128.7	0	0	0	113.6	C45 A50 V293 A294 V381 S384 I385 E392 F393 I394	C45-F390 HydrophobicContact CB-CD1 4.44Å; A50-F390 HydrophobicContact CB-CD1 3.46Å; A50-F390 VanDerWaalsContact CB-CD1 3.46Å; A50-F390 HydrophobicContact CB-CE1 3.39Å; A50-F390 HydrophobicContact CB-CG 4.48Å; A50-F390 HydrophobicContact CB-CZ 4.36Å; V293-F390 HydrophobicContact CB-CZ 4.21Å; V293-F390 HydrophobicContact CG1-CE1 4.12Å; V293-F390 HydrophobicContact CG1-CZ 3.79Å; A294-F390 HydrophobicContact CB-CE1 3.81Å; A294-F390 HydrophobicContact CB-CZ 4.3Å; V381-F390 HydrophobicContact CB-CE2 4.48Å; V381-F390 HydrophobicContact CG1-CD2 4.39Å; V381-F390 HydrophobicContact CG1-CE2 3.71Å; V381-F390 HydrophobicContact CG1-CZ 4.2Å; V381-F390 HydrophobicContact CG2-CE2 4.38Å; S384-F390 PolarHBondContact O-N 3Å; S384-F390 VanDerWaalsContact OG-CD2 3.27Å; S384-F390 WeakPolarHBondContact OG-CD2 3.36Å; I385-F390 HydrophobicContact CG1-CB 3.88Å; I385-F390 HydrophobicContact CG1-CD1 4.13Å; I385-F390 HydrophobicContact CG1-CD2 4.07Å; I385-F390 HydrophobicContact CG1-CG 3.76Å; F390-E392 VanDerWaalsContact C-N 3.33Å; F390-E392 PolarHBondContact O-N 3.01Å; F390-F393 HydrophobicContact CD2-CB 4.32Å; F390-F393 AromaticContact CD2-CD1 3.96Å; F390-F393 HydrophobicContact CD2-CD1 3.96Å; F390-F393 HydrophobicContact CD2-CG 4.46Å; F390-F393 AromaticContact CE2-CD1 3.85Å; F390-F393 HydrophobicContact CE2-CD1 3.85Å; F390-F393 HydrophobicContact CE2-CE1 4.41Å; F390-F393 WeakPolarHBondContact O-CB 3.5Å; F390-F393 PolarHBondContact O-N 3.21Å; F390-I394 HydrophobicContact CD1-CD1 3.96Å; F390-I394 HydrophobicContact CD2-CD1 4.46Å; F390-I394 HydrophobicContact CD2-CG1 4.3Å; F390-I394 HydrophobicContact CE1-CD1 3.63Å; F390-I394 HydrophobicContact CE1-CG1 4.27Å; F390-I394 HydrophobicContact CE2-CD1 4.19Å; F390-I394 HydrophobicContact CE2-CG1 3.92Å; F390-I394 HydrophobicContact CG-CD1 4.38Å; F390-I394 HydrophobicContact CZ-CD1 3.78Å; F390-I394 HydrophobicContact CZ-CG1 3.92Å; F390-I394 WeakPolarHBondContact O-CG1 3.48Å; F390-I394 PolarHBondContact O-N 3.33Å
391	P	98.7	Very high	98.2	Very high	18 Å²	18	47.2 Å²	47.2	12%	0.117	23%	0.233	C	C	.	.	H	α-helix	trans	-55.5	-45.1	172.6	-27.5	37.7	0	0	0	112.9	V47 F393 I394 L395 V421	V47-P391 HydrophobicContact CB-CG 3.79Å; V47-P391 HydrophobicContact CG1-CG 4.1Å; V47-P391 HydrophobicContact CG2-CG 3.92Å; P391-F393 VanDerWaalsContact C-N 3.31Å; P391-F393 PolarHBondContact O-N 3.02Å; P391-I394 WeakPolarHBondContact O-CB 3.35Å; P391-I394 PolarHBondContact O-N 3.33Å; P391-I394 VanDerWaalsContact O-N 3.11Å; P391-L395 WeakPolarHBondContact O-CG 3.29Å; P391-L395 PolarHBondContact O-N 3.39Å; P391-V421 HydrophobicContact CB-CG2 4.2Å; P391-V421 HydrophobicContact CG-CG2 4.46Å
392	E	98.5	Very high	98.1	Very high	104 Å²	104	49.1 Å²	49.1	49%	0.486	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-36.5	178	-62.6	75.5	-169.4	0	0	111.8	R389 F390 L395 T396	R389-E392 WeakPolarHBondContact CA-OE2 3.22Å; F390-E392 VanDerWaalsContact C-N 3.33Å; F390-E392 PolarHBondContact O-N 3.01Å; E392-L395 PolarHBondContact O-N 3.47Å; E392-T396 WeakPolarHBondContact O-CB 3.35Å; E392-T396 PolarHBondContact O-N 3.09Å; E392-T396 PolarHBondContact O-OG1 3.09Å
393	F	98.7	Very high	97.6	Very high	31 Å²	31	52.7 Å²	52.7	14%	0.136	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-45.7	171.5	174.3	-86.8	0	0	0	111.2	V290 L377 V381 R389 F390 P391 L395 T396 F397	V290-F393 HydrophobicContact CG1-CE1 4.44Å; V290-F393 HydrophobicContact CG2-CE1 4.22Å; L377-F393 HydrophobicContact CD1-CZ 4.08Å; V381-F393 HydrophobicContact CB-CE1 4.47Å; V381-F393 HydrophobicContact CG2-CD1 4.29Å; V381-F393 HydrophobicContact CG2-CE1 3.44Å; V381-F393 VanDerWaalsContact CG2-CE1 3.44Å; V381-F393 HydrophobicContact CG2-CZ 3.74Å; R389-F393 PolarHBondContact O-N 2.92Å; R389-F393 VanDerWaalsContact O-N 3.13Å; F390-F393 HydrophobicContact CD2-CB 4.32Å; F390-F393 AromaticContact CD2-CD1 3.96Å; F390-F393 HydrophobicContact CD2-CD1 3.96Å; F390-F393 HydrophobicContact CD2-CG 4.46Å; F390-F393 AromaticContact CE2-CD1 3.85Å; F390-F393 HydrophobicContact CE2-CD1 3.85Å; F390-F393 HydrophobicContact CE2-CE1 4.41Å; F390-F393 WeakPolarHBondContact O-CB 3.5Å; F390-F393 PolarHBondContact O-N 3.21Å; P391-F393 VanDerWaalsContact C-N 3.31Å; P391-F393 PolarHBondContact O-N 3.02Å; F393-L395 PolarHBondContact O-N 2.99Å; F393-T396 PolarHBondContact O-N 3.39Å; F393-F397 HydrophobicContact CE1-CB 4.28Å; F393-F397 VanDerWaalsContact O-CB 3.23Å; F393-F397 WeakPolarHBondContact O-CB 3.46Å; F393-F397 PolarHBondContact O-N 3.14Å
394	I	98.8	Very high	97.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-48.2	177.5	-67.1	161.1	0	0	0	110.5	V290 A294 F390 P391 T396 F397 M398 L416 V421 L423	V290-I394 HydrophobicContact CG1-CG1 3.83Å; A294-I394 HydrophobicContact CB-CD1 4.1Å; F390-I394 HydrophobicContact CD1-CD1 3.96Å; F390-I394 HydrophobicContact CD2-CD1 4.46Å; F390-I394 HydrophobicContact CD2-CG1 4.3Å; F390-I394 HydrophobicContact CE1-CD1 3.63Å; F390-I394 HydrophobicContact CE1-CG1 4.27Å; F390-I394 HydrophobicContact CE2-CD1 4.19Å; F390-I394 HydrophobicContact CE2-CG1 3.92Å; F390-I394 HydrophobicContact CG-CD1 4.38Å; F390-I394 HydrophobicContact CZ-CD1 3.78Å; F390-I394 HydrophobicContact CZ-CG1 3.92Å; F390-I394 WeakPolarHBondContact O-CG1 3.48Å; F390-I394 PolarHBondContact O-N 3.33Å; P391-I394 WeakPolarHBondContact O-CB 3.35Å; P391-I394 PolarHBondContact O-N 3.33Å; P391-I394 VanDerWaalsContact O-N 3.11Å; I394-T396 VanDerWaalsContact C-N 3.33Å; I394-T396 PolarHBondContact O-N 3.48Å; I394-F397 PolarHBondContact O-N 2.84Å; I394-M398 HydrophobicContact CG2-CG 4.22Å; I394-M398 WeakPolarHBondContact O-CB 3.43Å; I394-M398 WeakPolarHBondContact O-CG 3.18Å; I394-M398 PolarHBondContact O-N 3.47Å; I394-L416 HydrophobicContact CD1-CD2 4.01Å; I394-L416 HydrophobicContact CG2-CD1 3.61Å; I394-L416 HydrophobicContact CG2-CD2 3.95Å; I394-L416 HydrophobicContact CG2-CG 4.42Å; I394-V421 HydrophobicContact CB-CG1 4.39Å; I394-V421 HydrophobicContact CD1-CG1 4.4Å; I394-V421 HydrophobicContact CD1-CG2 4.2Å; I394-V421 HydrophobicContact CG2-CG1 4.02Å; I394-L423 HydrophobicContact CG2-CD2 4.16Å
395	L	98.1	Very high	96.8	Very high	54 Å²	54	53.8 Å²	53.8	28%	0.283	29%	0.285	S	S	.	.	H	α-helix	trans	-58.3	-45.7	178.5	-64	177.2	0	0	0	111.7	P391 E392 F393 M398 K399 T422 L423	P391-L395 WeakPolarHBondContact O-CG 3.29Å; P391-L395 PolarHBondContact O-N 3.39Å; E392-L395 PolarHBondContact O-N 3.47Å; F393-L395 PolarHBondContact O-N 2.99Å; L395-M398 PolarHBondContact O-N 3.29Å; L395-K399 WeakPolarHBondContact O-CB 3.46Å; L395-K399 VanDerWaalsContact O-CG 3.32Å; L395-K399 WeakPolarHBondContact O-CG 3.29Å; L395-K399 PolarHBondContact O-N 3.45Å; L395-T422 WeakPolarHBondContact CD2-O 3.3Å; L395-L423 HydrophobicContact CD2-CD2 3.67Å
396	T	97.4	Very high	96.6	Very high	93 Å²	93	60 Å²	60	57%	0.571	32%	0.318	S	S	*	.	H	α-helix	trans	-66.3	-41.3	179.1	-56.2	0	0	0	0	111.4	E392 F393 I394 R400	E392-T396 WeakPolarHBondContact O-CB 3.35Å; E392-T396 PolarHBondContact O-N 3.09Å; E392-T396 PolarHBondContact O-OG1 3.09Å; F393-T396 PolarHBondContact O-N 3.39Å; I394-T396 VanDerWaalsContact C-N 3.33Å; I394-T396 PolarHBondContact O-N 3.48Å; T396-R400 WeakPolarHBondContact O-CB 3.33Å; T396-R400 PolarHBondContact O-N 2.89Å
397	F	98.1	Very high	96.4	Very high	18 Å²	18	62.2 Å²	62.2	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-47.9	177	170.3	-93.5	0	0	0	111.5	A286 V287 V290 L377 F393 I394 R400 M401	A286-F397 HydrophobicContact CB-CE2 4.18Å; A286-F397 HydrophobicContact CB-CZ 3.87Å; V287-F397 HydrophobicContact CG2-CE1 4.11Å; V287-F397 HydrophobicContact CG2-CZ 4.29Å; V290-F397 HydrophobicContact CB-CD1 4.26Å; V290-F397 HydrophobicContact CB-CE1 4.1Å; V290-F397 HydrophobicContact CG1-CD1 4.14Å; V290-F397 HydrophobicContact CG1-CE1 4.46Å; V290-F397 HydrophobicContact CG2-CD1 4.04Å; V290-F397 HydrophobicContact CG2-CD2 4.19Å; V290-F397 HydrophobicContact CG2-CE1 3.89Å; V290-F397 HydrophobicContact CG2-CE2 4.03Å; V290-F397 HydrophobicContact CG2-CG 4.19Å; V290-F397 HydrophobicContact CG2-CZ 3.88Å; L377-F397 HydrophobicContact CD1-CD2 4.17Å; L377-F397 HydrophobicContact CD1-CE2 4.01Å; F393-F397 HydrophobicContact CE1-CB 4.28Å; F393-F397 VanDerWaalsContact O-CB 3.23Å; F393-F397 WeakPolarHBondContact O-CB 3.46Å; F393-F397 PolarHBondContact O-N 3.14Å; I394-F397 PolarHBondContact O-N 2.84Å; F397-R400 PolarHBondContact O-N 3.22Å; F397-M401 HydrophobicContact CE2-CE 3.82Å; F397-M401 HydrophobicContact CZ-CE 3.71Å; F397-M401 WeakPolarHBondContact O-CB 3.29Å; F397-M401 PolarHBondContact O-N 3.35Å
398	M	98	Very high	96.3	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-45.5	179.8	-69.4	-59.1	-70.9	0	0	111.4	V287 I394 L395 R400 M401 F402 Y408 A412 L423	V287-M398 HydrophobicContact CG1-SD 4.34Å; I394-M398 HydrophobicContact CG2-CG 4.22Å; I394-M398 WeakPolarHBondContact O-CB 3.43Å; I394-M398 WeakPolarHBondContact O-CG 3.18Å; I394-M398 PolarHBondContact O-N 3.47Å; L395-M398 PolarHBondContact O-N 3.29Å; M398-R400 VanDerWaalsContact C-N 3.29Å; M398-R400 PolarHBondContact O-N 3.33Å; M398-M401 PolarHBondContact O-N 3.35Å; M398-F402 HydrophobicContact CE-CD2 3.81Å; M398-F402 HydrophobicContact CE-CE2 3.8Å; M398-F402 PolarHBondContact O-N 2.82Å; M398-F402 HydrophobicContact SD-CD2 4.4Å; M398-F402 HydrophobicContact SD-CE2 4.29Å; M398-Y408 HydrophobicContact CB-CE1 4Å; M398-Y408 HydrophobicContact CE-CD1 4.07Å; M398-Y408 HydrophobicContact CE-CG 4.27Å; M398-A412 HydrophobicContact CE-CB 4.35Å; M398-L423 HydrophobicContact CB-CD1 4.29Å; M398-L423 HydrophobicContact CB-CD2 4.31Å; M398-L423 HydrophobicContact CE-CD1 3.63Å; M398-L423 HydrophobicContact CG-CD1 3.83Å; M398-L423 HydrophobicContact CG-CD2 3.97Å; M398-L423 HydrophobicContact SD-CD1 4.47Å
399	K	96.4	Very high	96.3	Very high	115 Å²	115	58.1 Å²	58.1	50%	0.5	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-35.2	175	-73.3	175.7	-179.8	179.1	0	113.1	L395 F402 Y408	L395-K399 WeakPolarHBondContact O-CB 3.46Å; L395-K399 VanDerWaalsContact O-CG 3.32Å; L395-K399 WeakPolarHBondContact O-CG 3.29Å; L395-K399 PolarHBondContact O-N 3.45Å; K399-F402 CarbonylContact O-C 3.14Å; K399-Y408 VanDerWaalsContact CG-OH 3.32Å; K399-Y408 WeakPolarHBondContact CG-OH 2.95Å
400	R	95.8	Very high	96.2	Very high	106 Å²	106	55.4 Å²	55.4	40%	0.4	30%	0.3	S	S	.	.	H	α-helix	trans	-75.7	-37.2	178.1	-165.8	170.9	-172.9	-175.2	0.1	112	P317 W318 D338 T396 F397 M398	P317-R400 HydrophobicContact CB-CG 4.14Å; P317-R400 VanDerWaalsContact CB-CZ 3.45Å; P317-R400 VanDerWaalsContact CB-NE 3.3Å; W318-R400 VanDerWaalsContact CA-O 3.3Å; W318-R400 WeakPolarHBondContact CA-O 3.31Å; W318-R400 VanDerWaalsContact CB-O 3.31Å; W318-R400 WeakPolarHBondContact CB-O 3.43Å; D338-R400 IonicContact OD2-CZ 3.35Å; D338-R400 IonicContact OD2-NH1 3.81Å; D338-R400 IonicContact OD2-NH2 2.8Å; D338-R400 PolarHBondContact OD2-NH2 3.46Å; T396-R400 WeakPolarHBondContact O-CB 3.33Å; T396-R400 PolarHBondContact O-N 2.89Å; F397-R400 PolarHBondContact O-N 3.22Å; M398-R400 VanDerWaalsContact C-N 3.29Å; M398-R400 PolarHBondContact O-N 3.33Å
401	M	96.8	Very high	96.2	Very high	25 Å²	25	56.9 Å²	56.9	12%	0.123	31%	0.305	C	S	.	.	H	α-helix	trans	-73.7	-38.2	179	-171.5	64.1	62.1	0	0	112.2	A286 V287 G319 F397 M398	A286-M401 HydrophobicContact CB-CE 3.96Å; V287-M401 HydrophobicContact CG2-CG 4.06Å; G319-M401 VanDerWaalsContact CA-SD 3.59Å; G319-M401 PolarHBondContact N-SD 3.35Å; F397-M401 HydrophobicContact CE2-CE 3.82Å; F397-M401 HydrophobicContact CZ-CE 3.71Å; F397-M401 WeakPolarHBondContact O-CB 3.29Å; F397-M401 PolarHBondContact O-N 3.35Å; M398-M401 PolarHBondContact O-N 3.35Å
402	F	96.4	Very high	96.1	Very high	40 Å²	40	56 Å²	56	18%	0.175	30%	0.3	C	S	.	.	S	Bend	trans	-129.8	102.7	-176	-56.7	-74.2	0	0	0	108.6	V287 M398 K399 S404 Q407 Y408 P409	V287-F402 HydrophobicContact CG2-CE2 3.75Å; V287-F402 HydrophobicContact CG2-CZ 3.94Å; M398-F402 HydrophobicContact CE-CD2 3.81Å; M398-F402 HydrophobicContact CE-CE2 3.8Å; M398-F402 PolarHBondContact O-N 2.82Å; M398-F402 HydrophobicContact SD-CD2 4.4Å; M398-F402 HydrophobicContact SD-CE2 4.29Å; K399-F402 CarbonylContact O-C 3.14Å; F402-S404 PolarHBondContact O-N 2.77Å; F402-Q407 HydrophobicContact CB-CB 4.12Å; F402-Q407 HydrophobicContact CD1-CB 4.23Å; F402-Q407 WeakPolarHBondContact CD1-O 3.39Å; F402-Y408 HydrophobicContact CB-CD1 3.57Å; F402-Y408 HydrophobicContact CB-CE1 3.76Å; F402-Y408 AromaticContact CD2-CD1 3.95Å; F402-Y408 HydrophobicContact CD2-CD1 3.95Å; F402-Y408 HydrophobicContact CD2-CE1 4.48Å; F402-Y408 HydrophobicContact CG-CD1 4.03Å; F402-P409 HydrophobicContact CE1-CG 4.2Å; F402-P409 HydrophobicContact CE2-CG 4.02Å; F402-P409 HydrophobicContact CZ-CG 3.6Å
403	P	89.1	Confident	96.1	Very high	113 Å²	113	53.5 Å²	53.5	73%	0.734	29%	0.291	S	S	*	.	S	Bend	trans	-61.8	-14.6	-173.4	-27.4	35.5	0	0	0	115.8
404	S	90.8	Very high	96.1	Very high	44 Å²	44	56.4 Å²	56.4	31%	0.308	31%	0.305	S	S	.	.	S	Bend	trans	-137.4	139.6	-179.4	-165.2	0	0	0	0	111	F402 D406 Q407	F402-S404 PolarHBondContact O-N 2.77Å; S404-D406 VanDerWaalsContact C-N 3.25Å; S404-D406 WeakPolarHBondContact CB-OD1 3.36Å; S404-D406 PolarHBondContact O-N 3.22Å; S404-D406 PolarHBondContact OG-OD1 3.29Å; S404-Q407 WeakPolarHBondContact O-CB 3.2Å; S404-Q407 PolarHBondContact O-N 3.13Å
405	P	90.4	Very high	96.1	Very high	63 Å²	63	56.4 Å²	56.4	41%	0.409	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-58.5	-29.6	-176.7	-27.2	35.5	0	0	0	115.2	Q407 Y408	P405-Q407 PolarHBondContact O-N 3.11Å; P405-Q407 VanDerWaalsContact O-N 3.15Å; P405-Y408 HydrophobicContact CB-CD2 4.21Å; P405-Y408 HydrophobicContact CB-CE2 3.92Å; P405-Y408 HydrophobicContact CG-CE2 4.42Å; P405-Y408 WeakPolarHBondContact O-CB 3.49Å; P405-Y408 PolarHBondContact O-N 3.35Å
406	D	93	Very high	96.1	Very high	132 Å²	132	53.9 Å²	53.9	71%	0.706	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-65.1	-13.3	175	61.6	-67.5	0	0	0	113.5	S404	S404-D406 VanDerWaalsContact C-N 3.25Å; S404-D406 WeakPolarHBondContact CB-OD1 3.36Å; S404-D406 PolarHBondContact O-N 3.22Å; S404-D406 PolarHBondContact OG-OD1 3.29Å
407	Q	95.3	Very high	96.2	Very high	102 Å²	102	51.8 Å²	51.8	48%	0.477	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-94.2	-5.6	175.9	-58	179.9	2.5	0	0	113	F402 S404 P405	F402-Q407 HydrophobicContact CB-CB 4.12Å; F402-Q407 HydrophobicContact CD1-CB 4.23Å; F402-Q407 WeakPolarHBondContact CD1-O 3.39Å; S404-Q407 WeakPolarHBondContact O-CB 3.2Å; S404-Q407 PolarHBondContact O-N 3.13Å; P405-Q407 PolarHBondContact O-N 3.11Å; P405-Q407 VanDerWaalsContact O-N 3.15Å
408	Y	97.1	Very high	96.2	Very high	26 Å²	26	53.5 Å²	53.5	10%	0.102	30%	0.299	C	S	.	.	S	Bend	trans	-63.1	130.4	176.1	-65.4	-18.6	0	0	0	110.2	M398 K399 F402 P405 G410 V413 L423	M398-Y408 HydrophobicContact CB-CE1 4Å; M398-Y408 HydrophobicContact CE-CD1 4.07Å; M398-Y408 HydrophobicContact CE-CG 4.27Å; K399-Y408 VanDerWaalsContact CG-OH 3.32Å; K399-Y408 WeakPolarHBondContact CG-OH 2.95Å; F402-Y408 HydrophobicContact CB-CD1 3.57Å; F402-Y408 HydrophobicContact CB-CE1 3.76Å; F402-Y408 AromaticContact CD2-CD1 3.95Å; F402-Y408 HydrophobicContact CD2-CD1 3.95Å; F402-Y408 HydrophobicContact CD2-CE1 4.48Å; F402-Y408 HydrophobicContact CG-CD1 4.03Å; P405-Y408 HydrophobicContact CB-CD2 4.21Å; P405-Y408 HydrophobicContact CB-CE2 3.92Å; P405-Y408 HydrophobicContact CG-CE2 4.42Å; P405-Y408 WeakPolarHBondContact O-CB 3.49Å; P405-Y408 PolarHBondContact O-N 3.35Å; Y408-G410 PolarHBondContact O-N 3.38Å; Y408-V413 HydrophobicContact CD2-CG2 4.49Å; Y408-L423 HydrophobicContact CD2-CB 3.85Å; Y408-L423 HydrophobicContact CD2-CD1 3.9Å; Y408-L423 HydrophobicContact CE2-CB 3.78Å; Y408-L423 HydrophobicContact CE2-CD1 4.27Å; Y408-L423 HydrophobicContact CG-CD1 4.26Å
409	P	97	Very high	96.2	Very high	32 Å²	32	53.7 Å²	53.7	21%	0.208	30%	0.3	C	S	.	.			trans	-62.4	124.9	174.5	-20.3	31.7	0	0	0	110.5	F402 W411 A412 V413	F402-P409 HydrophobicContact CE1-CG 4.2Å; F402-P409 HydrophobicContact CE2-CG 4.02Å; F402-P409 HydrophobicContact CZ-CG 3.6Å; P409-W411 VanDerWaalsContact C-N 3.28Å; P409-W411 HydrophobicContact CB-CG 4.41Å; P409-W411 VanDerWaalsContact CB-NE1 3.32Å; P409-W411 PolarHBondContact O-N 2.89Å; P409-A412 HydrophobicContact CB-CB 4.21Å; P409-A412 WeakPolarHBondContact O-CB 3.35Å; P409-A412 PolarHBondContact O-N 3.03Å; P409-V413 PolarHBondContact O-N 2.91Å; P409-V413 VanDerWaalsContact O-N 3.16Å
410	G	97.5	Very high	96.3	Very high	46 Å²	46	54.1 Å²	54.1	47%	0.474	31%	0.307	S	S	.	.	H	α-helix	trans	-52.2	-44.8	-177.5	0	0	0	0	0	113.1	Y408 A412 V413 E414	Y408-G410 PolarHBondContact O-N 3.38Å; G410-A412 PolarHBondContact O-N 2.98Å; G410-V413 WeakPolarHBondContact O-CB 3.17Å; G410-V413 PolarHBondContact O-N 2.85Å; G410-V413 VanDerWaalsContact O-N 3.11Å; G410-E414 PolarHBondContact O-N 3.32Å
411	W	97.6	Very high	96.4	Very high	31 Å²	31	49.3 Å²	49.3	12%	0.117	29%	0.29	C	S	.	.	H	α-helix	trans	-56.5	-36.7	176.5	75.8	-96.5	0	0	0	113.4	K258 D259 W262 V287 D288 V291 P409 A415	K258-W411 HydrophobicContact CB-CB 3.71Å; K258-W411 VanDerWaalsContact CB-CD1 3.46Å; K258-W411 HydrophobicContact CB-CD2 3.65Å; K258-W411 HydrophobicContact CB-CE3 4.34Å; K258-W411 HydrophobicContact CB-CG 3.32Å; K258-W411 HydrophobicContact CD-CD2 4.32Å; K258-W411 HydrophobicContact CD-CZ2 4.27Å; K258-W411 HydrophobicContact CG-CD2 4.1Å; K258-W411 HydrophobicContact CG-CG 4.06Å; D259-W411 WeakPolarHBondContact OD1-CA 3.13Å; D259-W411 WeakPolarHBondContact OD1-CB 3.41Å; W262-W411 HydrophobicContact CB-CE3 4.41Å; V287-W411 HydrophobicContact CB-CZ2 4.48Å; V287-W411 HydrophobicContact CG1-CH2 3.98Å; V287-W411 HydrophobicContact CG1-CZ2 3.8Å; D288-W411 WeakPolarHBondContact OD1-CH2 3.3Å; D288-W411 WeakPolarHBondContact OD1-CZ2 3.28Å; V291-W411 HydrophobicContact CB-CH2 4.29Å; V291-W411 HydrophobicContact CB-CZ3 4.08Å; V291-W411 HydrophobicContact CG1-CZ3 3.85Å; V291-W411 HydrophobicContact CG2-CH2 4.14Å; V291-W411 HydrophobicContact CG2-CZ3 4.13Å; P409-W411 VanDerWaalsContact C-N 3.28Å; P409-W411 HydrophobicContact CB-CG 4.41Å; P409-W411 VanDerWaalsContact CB-NE1 3.32Å; P409-W411 PolarHBondContact O-N 2.89Å; W411-A415 WeakPolarHBondContact O-CB 3.29Å; W411-A415 PolarHBondContact O-N 3.28Å
412	A	98.1	Very high	96.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-75.1	-37.8	-179	0	0	0	0	0	110.5	V287 V291 M398 P409 G410 L416	V287-A412 HydrophobicContact CG1-CB 4.05Å; V291-A412 HydrophobicContact CG2-CB 4.15Å; M398-A412 HydrophobicContact CE-CB 4.35Å; P409-A412 HydrophobicContact CB-CB 4.21Å; P409-A412 WeakPolarHBondContact O-CB 3.35Å; P409-A412 PolarHBondContact O-N 3.03Å; G410-A412 PolarHBondContact O-N 2.98Å; A412-L416 VanDerWaalsContact O-CB 3.27Å; A412-L416 WeakPolarHBondContact O-CB 3.45Å; A412-L416 WeakPolarHBondContact O-CD1 3.46Å; A412-L416 WeakPolarHBondContact O-CG 3.48Å; A412-L416 PolarHBondContact O-N 3.38Å
413	V	98.3	Very high	96.2	Very high	51 Å²	51	52.1 Å²	52.1	31%	0.309	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-49.9	173	179.5	0	0	0	0	110	Y408 P409 G410 L416 A417 L423	Y408-V413 HydrophobicContact CD2-CG2 4.49Å; P409-V413 PolarHBondContact O-N 2.91Å; P409-V413 VanDerWaalsContact O-N 3.16Å; G410-V413 WeakPolarHBondContact O-CB 3.17Å; G410-V413 PolarHBondContact O-N 2.85Å; G410-V413 VanDerWaalsContact O-N 3.11Å; V413-L416 PolarHBondContact O-N 3.38Å; V413-A417 VanDerWaalsContact O-CB 3.3Å; V413-A417 WeakPolarHBondContact O-CB 3.01Å; V413-A417 PolarHBondContact O-N 2.88Å; V413-L423 HydrophobicContact CG2-CD1 4.07Å
414	E	98.3	Very high	95.8	Very high	92 Å²	92	55.7 Å²	55.7	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-46.2	178.9	-70.2	-175.2	-166.8	0	0	112.4	W262 R263 G410 L416 A417 S418	W262-E414 HydrophobicContact CZ2-CB 3.94Å; R263-E414 IonicContact NH2-OE2 2.84Å; R263-E414 PolarHBondContact NH2-OE2 2.82Å; R263-E414 VanDerWaalsContact NH2-OE2 3.13Å; G410-E414 PolarHBondContact O-N 3.32Å; E414-L416 PolarHBondContact O-N 2.82Å; E414-A417 PolarHBondContact O-N 3.4Å; E414-S418 PolarHBondContact O-N 3.26Å
415	A	98.6	Very high	96	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.9	-44	179.3	0	0	0	0	0	111.9	W262 V291 W411 S418	W262-A415 HydrophobicContact CB-CB 3.99Å; W262-A415 HydrophobicContact CD2-CB 3.57Å; W262-A415 HydrophobicContact CE3-CB 3.79Å; W262-A415 HydrophobicContact CG-CB 3.65Å; W262-A415 HydrophobicContact CZ3-CB 4.47Å; V291-A415 HydrophobicContact CG1-CB 3.62Å; W411-A415 WeakPolarHBondContact O-CB 3.29Å; W411-A415 PolarHBondContact O-N 3.28Å; A415-S418 WeakPolarHBondContact O-CB 3.22Å; A415-S418 PolarHBondContact O-N 2.83Å; A415-S418 PolarHBondContact O-OG 2.83Å
416	L	98.7	Very high	96.3	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-69.2	-38.8	178.2	-72	171.1	0	0	0	112	V291 A294 I394 A412 V413 E414 S418 V419 N420 V421 L423	V291-L416 HydrophobicContact CG2-CD1 4.3Å; V291-L416 HydrophobicContact CG2-CD2 4.29Å; V291-L416 HydrophobicContact CG2-CG 4.15Å; A294-L416 HydrophobicContact CB-CD2 3.9Å; I394-L416 HydrophobicContact CD1-CD2 4.01Å; I394-L416 HydrophobicContact CG2-CD1 3.61Å; I394-L416 HydrophobicContact CG2-CD2 3.95Å; I394-L416 HydrophobicContact CG2-CG 4.42Å; A412-L416 VanDerWaalsContact O-CB 3.27Å; A412-L416 WeakPolarHBondContact O-CB 3.45Å; A412-L416 WeakPolarHBondContact O-CD1 3.46Å; A412-L416 WeakPolarHBondContact O-CG 3.48Å; A412-L416 PolarHBondContact O-N 3.38Å; V413-L416 PolarHBondContact O-N 3.38Å; E414-L416 PolarHBondContact O-N 2.82Å; L416-S418 VanDerWaalsContact C-N 3.25Å; L416-S418 PolarHBondContact O-N 2.96Å; L416-V419 CarbonylContact O-C 3.4Å; L416-V419 VanDerWaalsContact O-CG2 3.28Å; L416-V419 WeakPolarHBondContact O-CG2 3.42Å; L416-V419 PolarHBondContact O-N 2.62Å; L416-N420 PolarHBondContact O-N 3.42Å; L416-V421 CarbonylContact C-O 3.5Å; L416-V421 HydrophobicContact CB-CB 4.13Å; L416-V421 HydrophobicContact CB-CG1 4.37Å; L416-V421 WeakPolarHBondContact CB-O 3.26Å; L416-V421 PolarHBondContact O-N 3.17Å; L416-L423 HydrophobicContact CD1-CD1 3.85Å; L416-L423 HydrophobicContact CD1-CD2 3.99Å; L416-L423 HydrophobicContact CD1-CG 4.08Å
417	A	98.4	Very high	96.5	Very high	49 Å²	49	51.7 Å²	51.7	41%	0.405	29%	0.292	S	S	.	.	H	α-helix	trans	-61.4	-35.4	174	0	0	0	0	0	111.8	V413 E414 V419 N420 V421	V413-A417 VanDerWaalsContact O-CB 3.3Å; V413-A417 WeakPolarHBondContact O-CB 3.01Å; V413-A417 PolarHBondContact O-N 2.88Å; E414-A417 PolarHBondContact O-N 3.4Å; A417-V419 PolarHBondContact O-N 3.42Å; A417-V419 VanDerWaalsContact O-N 3.12Å; A417-N420 PolarHBondContact O-N 3.27Å; A417-V421 PolarHBondContact N-O 3.16Å
418	S	98.4	Very high	96.6	Very high	55 Å²	55	48.7 Å²	48.7	39%	0.385	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.2	175.5	84.5	0	0	0	0	114	E414 A415 L416	E414-S418 PolarHBondContact O-N 3.26Å; A415-S418 WeakPolarHBondContact O-CB 3.22Å; A415-S418 PolarHBondContact O-N 2.83Å; A415-S418 PolarHBondContact O-OG 2.83Å; L416-S418 VanDerWaalsContact C-N 3.25Å; L416-S418 PolarHBondContact O-N 2.96Å
419	V	98.2	Very high	96.5	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.024	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	33.1	175	-64.3	0	0	0	0	111.8	V47 T48 K49 A294 L295 L416 A417 V421	V47-V419 VanDerWaalsContact O-O 3.09Å; T48-V419 HydrophobicContact CG2-CB 4.4Å; T48-V419 HydrophobicContact CG2-CG2 4.11Å; T48-V419 WeakPolarHBondContact CG2-O 3.49Å; K49-V419 HydrophobicContact CD-CG1 4.09Å; K49-V419 HydrophobicContact CG-CG1 4.1Å; A294-V419 HydrophobicContact CB-CG2 4.05Å; L295-V419 HydrophobicContact CD2-CG1 3.79Å; L295-V419 HydrophobicContact CD2-CG2 4.41Å; L416-V419 CarbonylContact O-C 3.4Å; L416-V419 VanDerWaalsContact O-CG2 3.28Å; L416-V419 WeakPolarHBondContact O-CG2 3.42Å; L416-V419 PolarHBondContact O-N 2.62Å; A417-V419 PolarHBondContact O-N 3.42Å; A417-V419 VanDerWaalsContact O-N 3.12Å; V419-V421 VanDerWaalsContact C-N 3.32Å; V419-V421 PolarHBondContact O-N 2.88Å
420	N	98.3	Very high	96.5	Very high	124 Å²	124	51.3 Å²	51.3	66%	0.663	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	26.3	171.2	-47.4	-62.9	0	0	0	115.5	V47 L416 A417	V47-N420 HydrophobicContact CG1-CB 3.78Å; V47-N420 WeakPolarHBondContact CG1-O 3.32Å; V47-N420 PolarHBondContact O-ND2 2.49Å; L416-N420 PolarHBondContact O-N 3.42Å; A417-N420 PolarHBondContact O-N 3.27Å
421	V	98.1	Very high	96.4	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.03	29%	0.285	C	S	.	.			trans	-112.7	105.9	172.6	177.9	0	0	0	0	109.4	V47 T48 P391 I394 L416 A417 V419 L423	V47-V421 HydrophobicContact CG1-CG2 4.22Å; T48-V421 HydrophobicContact CG2-CG2 3.43Å; T48-V421 VanDerWaalsContact CG2-CG2 3.43Å; P391-V421 HydrophobicContact CB-CG2 4.2Å; P391-V421 HydrophobicContact CG-CG2 4.46Å; I394-V421 HydrophobicContact CB-CG1 4.39Å; I394-V421 HydrophobicContact CD1-CG1 4.4Å; I394-V421 HydrophobicContact CD1-CG2 4.2Å; I394-V421 HydrophobicContact CG2-CG1 4.02Å; L416-V421 CarbonylContact C-O 3.5Å; L416-V421 HydrophobicContact CB-CB 4.13Å; L416-V421 HydrophobicContact CB-CG1 4.37Å; L416-V421 WeakPolarHBondContact CB-O 3.26Å; L416-V421 PolarHBondContact O-N 3.17Å; A417-V421 PolarHBondContact N-O 3.16Å; V419-V421 VanDerWaalsContact C-N 3.32Å; V419-V421 PolarHBondContact O-N 2.88Å; V421-L423 HydrophobicContact CG1-CD2 4.39Å
422	T	96.5	Very high	96.3	Very high	106 Å²	106	53.3 Å²	53.3	65%	0.65	30%	0.298	S	S	*	.			trans	-90.2	124.9	175.1	-53.6	0	0	0	0	109.8	L395	L395-T422 WeakPolarHBondContact CD2-O 3.3Å
423	L	93.6	Very high	96.2	Very high	18 Å²	18	57.8 Å²	57.8	9%	0.094	32%	0.323	C	S	.	.			trans	-85.7	120.1	170.6	-57	-174.5	0	0	0	108.6	I394 L395 M398 Y408 V413 L416 V421	I394-L423 HydrophobicContact CG2-CD2 4.16Å; L395-L423 HydrophobicContact CD2-CD2 3.67Å; M398-L423 HydrophobicContact CB-CD1 4.29Å; M398-L423 HydrophobicContact CB-CD2 4.31Å; M398-L423 HydrophobicContact CE-CD1 3.63Å; M398-L423 HydrophobicContact CG-CD1 3.83Å; M398-L423 HydrophobicContact CG-CD2 3.97Å; M398-L423 HydrophobicContact SD-CD1 4.47Å; Y408-L423 HydrophobicContact CD2-CB 3.85Å; Y408-L423 HydrophobicContact CD2-CD1 3.9Å; Y408-L423 HydrophobicContact CE2-CB 3.78Å; Y408-L423 HydrophobicContact CE2-CD1 4.27Å; Y408-L423 HydrophobicContact CG-CD1 4.26Å; V413-L423 HydrophobicContact CG2-CD1 4.07Å; L416-L423 HydrophobicContact CD1-CD1 3.85Å; L416-L423 HydrophobicContact CD1-CD2 3.99Å; L416-L423 HydrophobicContact CD1-CG 4.08Å; V421-L423 HydrophobicContact CG1-CD2 4.39Å
424	E	79	Confident	96	Very high	188 Å²	188	58.4 Å²	58.4	88%	0.879	32%	0.324	S	S	*	.			trans	-86.9	0	172.5	-65.9	-179.8	172.7	0	0	112.7

Retrieved 424 of 424 residues in 876.2 ms (Link to these results)

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