A0A090N8Z3_HUMAN Loading...

STE20-related kinase adapter protein beta

Pseudokinase which, in complex with CAB39/MO25 (CAB39/MO25alpha or CAB39L/MO25beta), binds to and activates STK11/LKB1. Adopts a closed conformation typical of active protein kinases and binds STK11/LKB1 as a pseudosubstrate, promoting conformational change of STK11/LKB1 in an active conformation.

AlphaFold DB , UniProt , Accession A0A090N8Z3, Species HUMAN (Homo sapiens, Human), Gene LOC389599, Length 339 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	38.1	Very low	31	Very low	248 Å²	248	161.6 Å²	161.6	100%	1.222	82%	0.817	S	S	*	*				0	124.5	0	-77.6	162.6	127.1	0	0	108.1
2	K	30.2	Very low	30.8	Very low	211 Å²	211	166.5 Å²	166.5	92%	0.917	82%	0.821	S	S	*	*			trans	-78.6	143	-176	-90.7	175	170.3	175.6	0	112
3	N	30.6	Very low	30.6	Very low	157 Å²	157	164.1 Å²	164.1	84%	0.84	81%	0.812	S	S	*	*			trans	5.5	137.1	150.7	-75.9	-1.4	0	0	0	121
4	K	29.4	Very low	30.5	Very low	200 Å²	200	159.9 Å²	159.9	87%	0.87	80%	0.8	S	S	*	*				174.6	137.7	119.4	-95	174	-178	-174.2	0	107.6
5	S	31.4	Very low	30.6	Very low	92 Å²	92	161.5 Å²	161.5	64%	0.643	80%	0.804	S	S	*	*			cis	-174.5	137.8	-5.4	41.3	0	0	0	0	106.3	T7	S5-T7 PolarHBondContact O-N 2.9Å
6	E	35.9	Very low	31	Very low	196 Å²	196	159.1 Å²	159.1	92%	0.916	79%	0.789	S	S	*	*			trans	-55.6	121.6	163.3	-69.2	158.5	142.4	0	0	110.1
7	T	30.4	Very low	30.9	Very low	126 Å²	126	156.4 Å²	156.4	77%	0.773	79%	0.786	S	S	*	*			trans	-101.5	88.1	164.4	1.9	0	0	0	0	108.6	S5	S5-T7 PolarHBondContact O-N 2.9Å
8	S	29.6	Very low	31.2	Very low	74 Å²	74	154 Å²	154	52%	0.517	78%	0.781	S	S	.	*			trans	-19.5	133.9	160.1	-171.5	0	0	0	0	116.9	H10	S8-H10 PolarHBondContact O-N 3.37Å; S8-H10 WeakPolarHBondContact OG-CB 3.31Å; S8-H10 PolarHBondContact OG-CD2 3.16Å; S8-H10 VanDerWaalsContact OG-CD2 3.26Å; S8-H10 PolarHBondContact OG-N 2.74Å
9	I	29.8	Very low	31.5	Very low	179 Å²	179	153.1 Å²	153.1	92%	0.918	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	10.6	173.4	-59.3	164.2	0	0	0	111.9
10	H	28.4	Very low	31.5	Very low	140 Å²	140	150 Å²	150	65%	0.648	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	7.5	-174.6	-82.9	-77.7	0	0	0	116.4	S8 Y12	S8-H10 PolarHBondContact O-N 3.37Å; S8-H10 WeakPolarHBondContact OG-CB 3.31Å; S8-H10 PolarHBondContact OG-CD2 3.16Å; S8-H10 VanDerWaalsContact OG-CD2 3.26Å; S8-H10 PolarHBondContact OG-N 2.74Å; H10-Y12 PolarHBondContact O-N 3.41Å
11	Q	27.1	Very low	31.9	Very low	155 Å²	155	147.8 Å²	147.8	72%	0.724	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	10.4	-165.2	-122.9	174.8	-0.5	0	0	118.1
12	Y	28.5	Very low	31.4	Very low	220 Å²	220	140.1 Å²	140.1	86%	0.863	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.4	36.7	173.6	-72	-78.6	0	0	0	114.6	H10 V14	H10-Y12 PolarHBondContact O-N 3.41Å; Y12-V14 PolarHBondContact O-N 2.75Å
13	L	28.2	Very low	31.5	Very low	135 Å²	135	134.6 Å²	134.6	71%	0.707	71%	0.709	S	S	*	*			trans	-90.7	85.5	157.1	-69.4	171	0	0	0	107.6	E15	L13-E15 VanDerWaalsContact C-N 3.32Å; L13-E15 PolarHBondContact O-N 2.58Å; L13-E15 VanDerWaalsContact O-N 3.14Å
14	V	30.2	Very low	31.5	Very low	106 Å²	106	131.9 Å²	131.9	64%	0.642	70%	0.7	S	S	*	*			trans	-72.2	101.8	155.9	-174.9	0	0	0	0	104.8	Y12 E16	Y12-V14 PolarHBondContact O-N 2.75Å; V14-E16 HydrophobicContact CG1-CG 3.9Å; V14-E16 PolarHBondContact O-N 2.76Å
15	E	31.3	Very low	31.8	Very low	183 Å²	183	127.4 Å²	127.4	86%	0.855	69%	0.694	S	S	*	*			trans	-63.9	79.8	162.3	-73.3	-174.8	163.1	0	0	107.8	L13	L13-E15 VanDerWaalsContact C-N 3.32Å; L13-E15 PolarHBondContact O-N 2.58Å; L13-E15 VanDerWaalsContact O-N 3.14Å
16	E	37.1	Very low	32.3	Very low	123 Å²	123	129.2 Å²	129.2	58%	0.575	70%	0.701	S	S	*	*			trans	-66.3	136.1	164.3	-72.9	-87.8	139.6	0	0	107.5	V14 T18	V14-E16 HydrophobicContact CG1-CG 3.9Å; V14-E16 PolarHBondContact O-N 2.76Å; E16-T18 PolarHBondContact O-N 3.24Å
17	P	29	Very low	32.2	Very low	114 Å²	114	131.7 Å²	131.7	74%	0.74	70%	0.702	S	S	*	*			trans	-58.3	113	-179.7	23.4	-31.4	0	0	0	108.7	L19	P17-L19 PolarHBondContact O-N 2.82Å
18	T	35.9	Very low	32.5	Very low	113 Å²	113	130 Å²	130	69%	0.693	70%	0.701	S	S	*	*			trans	-64.2	109.3	174.3	49.9	0	0	0	0	107	E16 S20	E16-T18 PolarHBondContact O-N 3.24Å; T18-S20 PolarHBondContact O-N 3.46Å
19	L	36.7	Very low	32.9	Very low	136 Å²	136	132 Å²	132	71%	0.712	72%	0.715	S	S	*	*			trans	-62.5	79.4	155	-88.3	153.8	0	0	0	106.1	P17 W21	P17-L19 PolarHBondContact O-N 2.82Å; L19-W21 VanDerWaalsContact C-N 3.29Å; L19-W21 PolarHBondContact O-N 2.8Å
20	S	32.3	Very low	34	Very low	91 Å²	91	131.9 Å²	131.9	64%	0.636	71%	0.711	S	S	*	*			trans	-69.2	92.9	175.3	47.4	0	0	0	0	106.5	T18 S22	T18-S20 PolarHBondContact O-N 3.46Å; S20-S22 VanDerWaalsContact C-N 3.35Å; S20-S22 PolarHBondContact O-N 3.31Å
21	W	39.4	Very low	35.6	Very low	104 Å²	104	127.3 Å²	127.3	39%	0.394	69%	0.693	S	S	.	*			trans	-64.6	104.8	165	177.5	73.4	0	0	0	107	L19 P23 P24 R97 P99	L19-W21 VanDerWaalsContact C-N 3.29Å; L19-W21 PolarHBondContact O-N 2.8Å; W21-P23 HydrophobicContact CH2-CB 3.99Å; W21-P23 HydrophobicContact CZ2-CB 4.42Å; W21-P23 HydrophobicContact CZ3-CB 4.3Å; W21-P24 VanDerWaalsContact CZ2-CD 3.46Å; W21-R97 WeakPolarHBondContact CZ3-O 3.48Å; W21-P99 HydrophobicContact CZ2-CG 4.01Å
22	S	28.3	Very low	37.9	Very low	88 Å²	88	126 Å²	126	62%	0.615	70%	0.695	S	S	*	*			trans	-77.2	133.5	165.4	-54.2	0	0	0	0	106.8	S20	S20-S22 VanDerWaalsContact C-N 3.35Å; S20-S22 PolarHBondContact O-N 3.31Å
23	P	31.8	Very low	40.5	Very low	94 Å²	94	115.9 Å²	115.9	61%	0.61	66%	0.656	S	S	*	*			trans	-56.9	133.4	173	24.1	-31.3	0	0	0	108.1	W21 S25	W21-P23 HydrophobicContact CH2-CB 3.99Å; W21-P23 HydrophobicContact CZ2-CB 4.42Å; W21-P23 HydrophobicContact CZ3-CB 4.3Å; P23-S25 PolarHBondContact O-N 3.3Å
24	P	30.3	Very low	43.3	Very low	101 Å²	101	111.2 Å²	111.2	66%	0.656	64%	0.635	S	S	*	*			trans	-59.5	112.6	174.9	17.9	-23.1	0	0	0	108.2	W21 T26	W21-P24 VanDerWaalsContact CZ2-CD 3.46Å; P24-T26 PolarHBondContact O-N 3.42Å
25	S	35.7	Very low	46.3	Very low	105 Å²	105	109.2 Å²	109.2	73%	0.734	63%	0.63	S	S	*	*	S	Bend	trans	-66	117.3	163.1	59.6	0	0	0	0	105.9	P23	P23-S25 PolarHBondContact O-N 3.3Å
26	T	42.5	Very low	49.1	Very low	130 Å²	130	103.9 Å²	103.9	80%	0.798	61%	0.607	S	S	*	*			trans	90.9	92.6	-180	67.2	0	0	0	0	117.3	P24	P24-T26 PolarHBondContact O-N 3.42Å
27	R	34	Very low	51.8	Low	249 Å²	249	99.1 Å²	99.1	94%	0.94	59%	0.586	S	S	*	*				177.9	148.3	119.1	-109.8	176.9	167.8	178.3	-4	113.9
28	A	35.6	Very low	54.8	Low	91 Å²	91	97.7 Å²	97.7	75%	0.752	58%	0.579	S	S	*	*			trans	69.3	114.4	179.5	0	0	0	0	0	115.3	E30	A28-E30 PolarHBondContact O-N 3Å; A28-E30 VanDerWaalsContact O-N 3.12Å
29	S	39.3	Very low	57.6	Low	116 Å²	116	95 Å²	95	81%	0.811	56%	0.558	S	S	*	*			trans	-43.5	118.7	164.3	-42.4	0	0	0	0	108.5	V31	S29-V31 PolarHBondContact O-N 3.27Å
30	E	53.6	Low	60.4	Low	175 Å²	175	88.7 Å²	88.7	82%	0.818	53%	0.525	S	S	*	.			trans	-52.7	115.8	174.3	-87.3	179.8	159	0	0	107.4	A28 V32	A28-E30 PolarHBondContact O-N 3Å; A28-E30 VanDerWaalsContact O-N 3.12Å; E30-V32 VanDerWaalsContact C-N 3.35Å; E30-V32 PolarHBondContact O-N 3.3Å
31	V	61.3	Low	63.5	Low	44 Å²	44	86.4 Å²	86.4	27%	0.267	50%	0.504	S	S	.	.			trans	-66	102	175.3	177.7	0	0	0	0	105.9	S29 C33 T64 W105	S29-V31 PolarHBondContact O-N 3.27Å; V31-C33 PolarHBondContact O-N 3.35Å; V31-T64 HydrophobicContact CG1-CG2 4.26Å; V31-W105 HydrophobicContact CB-CH2 4.34Å; V31-W105 HydrophobicContact CB-CZ3 4.2Å; V31-W105 HydrophobicContact CG1-CZ3 4.22Å; V31-W105 HydrophobicContact CG2-CH2 4.46Å
32	V	74.2	Confident	66.1	Low	127 Å²	127	83.3 Å²	83.3	77%	0.77	50%	0.496	S	S	*	.			trans	-75.2	93.7	177.2	-176.6	0	0	0	0	107.9	E30 S34	E30-V32 VanDerWaalsContact C-N 3.35Å; E30-V32 PolarHBondContact O-N 3.3Å; V32-S34 PolarHBondContact O-N 3.35Å
33	C	83.1	Confident	69.2	Low	8 Å²	8	82.3 Å²	82.3	5%	0.054	48%	0.481	C	S	.	.			trans	-77.3	117.3	174.9	-80.7	0	0	0	0	110.3	V31 Y40 W105 T106 I117	V31-C33 PolarHBondContact O-N 3.35Å; C33-Y40 VanDerWaalsContact CB-OH 3.3Å; C33-Y40 WeakPolarHBondContact CB-OH 3.32Å; C33-W105 HydrophobicContact CB-CB 4.22Å; C33-W105 VanDerWaalsContact SG-CE3 3.56Å; C33-T106 HydrophobicContact CB-CG2 3.75Å; C33-T106 WeakPolarHBondContact O-CB 3.36Å; C33-I117 HydrophobicContact CB-CG2 4.43Å
34	S	88.8	Confident	72.1	Confident	37 Å²	37	80.4 Å²	80.4	26%	0.259	47%	0.468	S	S	.	.			trans	-74.7	158.6	-179.8	65.5	0	0	0	0	112.8	V32 N36 H39 Y40	V32-S34 PolarHBondContact O-N 3.35Å; S34-N36 PolarHBondContact O-N 3.27Å; S34-N36 VanDerWaalsContact O-N 3.12Å; S34-H39 PolarHBondContact OG-CE1 3.26Å; S34-H39 PolarHBondContact OG-ND1 3.15Å; S34-Y40 VanDerWaalsContact O-CE2 3.3Å; S34-Y40 WeakPolarHBondContact O-CE2 3.14Å; S34-Y40 PolarHBondContact O-OH 2.96Å
35	A	91.7	Very high	75.1	Confident	65 Å²	65	79.1 Å²	79.1	54%	0.537	45%	0.453	S	S	.	.	S	Bend	trans	-82.2	32.5	174.5	0	0	0	0	0	114.3	F108	A35-F108 HydrophobicContact CB-CB 3.73Å; A35-F108 HydrophobicContact CB-CD1 3.95Å; A35-F108 HydrophobicContact CB-CD2 4.42Å; A35-F108 HydrophobicContact CB-CG 3.79Å
36	N	91.4	Very high	77.7	Confident	70 Å²	70	76.6 Å²	76.6	37%	0.374	43%	0.431	S	S	.	.			trans	-108.3	118.9	178.6	-175.4	-1.8	0	0	0	110.7	S34 S38 H39 Y40	S34-N36 PolarHBondContact O-N 3.27Å; S34-N36 VanDerWaalsContact O-N 3.12Å; N36-S38 VanDerWaalsContact CG-OG 3.31Å; N36-S38 PolarHBondContact ND2-OG 2.73Å; N36-S38 PolarHBondContact O-N 2.98Å; N36-S38 PolarHBondContact OD1-N 2.71Å; N36-S38 VanDerWaalsContact OD1-N 3.09Å; N36-S38 PolarHBondContact OD1-OG 2.99Å; N36-S38 VanDerWaalsContact OD1-OG 3.1Å; N36-H39 PolarHBondContact ND2-NE2 3.02Å; N36-H39 WeakPolarHBondContact O-CB 3.12Å; N36-H39 PolarHBondContact O-N 3.43Å; N36-Y40 WeakPolarHBondContact O-CD2 3.32Å; N36-Y40 VanDerWaalsContact O-CE2 3.25Å; N36-Y40 WeakPolarHBondContact O-CE2 3.38Å
37	V	92.3	Very high	79.9	Confident	24 Å²	24	70.5 Å²	70.5	15%	0.145	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-55.6	-38.8	178.8	175.8	0	0	0	0	112.5	H39 Y40 F108 V110 W115 W322	V37-H39 PolarHBondContact O-N 3.31Å; V37-Y40 PolarHBondContact O-N 2.88Å; V37-F108 HydrophobicContact CG2-CE2 3.81Å; V37-V110 HydrophobicContact CG2-CB 4.09Å; V37-V110 HydrophobicContact CG2-CG1 4.05Å; V37-V110 HydrophobicContact CG2-CG2 3.09Å; V37-W115 HydrophobicContact CG1-CH2 3.68Å; V37-W115 HydrophobicContact CG1-CZ2 3.89Å; V37-W115 HydrophobicContact CG1-CZ3 4.4Å; V37-W115 HydrophobicContact CG2-CH2 4.43Å; V37-W115 HydrophobicContact CG2-CZ2 4.19Å; V37-W322 HydrophobicContact CG1-CB 4.41Å; V37-W322 HydrophobicContact CG1-CG 4.12Å
38	S	93.3	Very high	82.5	Confident	84 Å²	84	64.1 Å²	64.1	59%	0.587	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-65.5	-12.9	-177.3	73.3	0	0	0	0	112.9	N36 Y40	N36-S38 VanDerWaalsContact CG-OG 3.31Å; N36-S38 PolarHBondContact ND2-OG 2.73Å; N36-S38 PolarHBondContact O-N 2.98Å; N36-S38 PolarHBondContact OD1-N 2.71Å; N36-S38 VanDerWaalsContact OD1-N 3.09Å; N36-S38 PolarHBondContact OD1-OG 2.99Å; N36-S38 VanDerWaalsContact OD1-OG 3.1Å; S38-Y40 VanDerWaalsContact C-N 3.29Å
39	H	94.7	Very high	84.7	Confident	55 Å²	55	60.2 Å²	60.2	26%	0.255	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-83.1	-4.7	174.3	-64	-176.9	0	0	0	113	S34 N36 V37 H61 T62 P63	S34-H39 PolarHBondContact OG-CE1 3.26Å; S34-H39 PolarHBondContact OG-ND1 3.15Å; N36-H39 PolarHBondContact ND2-NE2 3.02Å; N36-H39 WeakPolarHBondContact O-CB 3.12Å; N36-H39 PolarHBondContact O-N 3.43Å; V37-H39 PolarHBondContact O-N 3.31Å; H39-H61 CarbonylContact O-C 3.59Å; H39-H61 VanDerWaalsContact O-CA 3.28Å; H39-H61 WeakPolarHBondContact O-CA 3.48Å; H39-T62 WeakPolarHBondContact CA-OG1 3.4Å; H39-T62 PolarHBondContact O-N 3.46Å; H39-T62 PolarHBondContact O-OG1 3.08Å; H39-P63 HydrophobicContact CB-CG 4.03Å
40	Y	95.7	Very high	86.5	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.016	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	102.6	-178.3	-56.9	-79.9	0	0	0	110.4	C33 S34 N36 V37 S38 L42 H61 V68 T106 F108 W115 I117	C33-Y40 VanDerWaalsContact CB-OH 3.3Å; C33-Y40 WeakPolarHBondContact CB-OH 3.32Å; S34-Y40 VanDerWaalsContact O-CE2 3.3Å; S34-Y40 WeakPolarHBondContact O-CE2 3.14Å; S34-Y40 PolarHBondContact O-OH 2.96Å; N36-Y40 WeakPolarHBondContact O-CD2 3.32Å; N36-Y40 VanDerWaalsContact O-CE2 3.25Å; N36-Y40 WeakPolarHBondContact O-CE2 3.38Å; V37-Y40 PolarHBondContact O-N 2.88Å; S38-Y40 VanDerWaalsContact C-N 3.29Å; Y40-L42 PolarHBondContact O-N 3.21Å; Y40-H61 HydrophobicContact CE1-CB 4.48Å; Y40-H61 AromaticContact CE1-CD2 3.62Å; Y40-H61 AromaticContact CZ-CD2 3.95Å; Y40-V68 HydrophobicContact CD1-CG2 4.05Å; Y40-V68 HydrophobicContact CE1-CG2 4.36Å; Y40-T106 WeakPolarHBondContact OH-CG2 3.46Å; Y40-F108 HydrophobicContact CD2-CZ 4.14Å; Y40-F108 AromaticContact CE2-CE1 3.92Å; Y40-F108 HydrophobicContact CE2-CE1 3.92Å; Y40-F108 AromaticContact CE2-CZ 3.81Å; Y40-F108 HydrophobicContact CE2-CZ 3.81Å; Y40-W115 HydrophobicContact CD2-CZ3 4.49Å; Y40-I117 HydrophobicContact CD1-CD1 3.96Å; Y40-I117 HydrophobicContact CD1-CG1 4.49Å; Y40-I117 HydrophobicContact CE1-CB 4.47Å; Y40-I117 HydrophobicContact CE1-CD1 3.84Å; Y40-I117 HydrophobicContact CE1-CG1 3.86Å; Y40-I117 HydrophobicContact CE1-CG2 3.82Å; Y40-I117 HydrophobicContact CE2-CD1 4.43Å; Y40-I117 HydrophobicContact CE2-CG1 4.41Å; Y40-I117 HydrophobicContact CG-CD1 4.32Å
41	E	95.6	Very high	87.5	Confident	43 Å²	43	51.9 Å²	51.9	20%	0.201	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	104.5	172.1	-177	-175.9	158.2	0	0	108.9	A59 R60 T62 L316	E41-A59 CarbonylContact O-C 2.9Å; E41-A59 WeakPolarHBondContact O-CA 3.47Å; E41-A59 WeakPolarHBondContact O-CB 3.48Å; E41-R60 HydrophobicContact CB-CB 4.47Å; E41-R60 PolarHBondContact N-O 3.48Å; E41-R60 PolarHBondContact O-N 2.83Å; E41-R60 IonicContact OE1-CZ 3.54Å; E41-R60 IonicContact OE1-NH2 2.76Å; E41-R60 PolarHBondContact OE1-NH2 2.9Å; E41-R60 IonicContact OE2-CZ 3.17Å; E41-R60 IonicContact OE2-NE 3.24Å; E41-R60 PolarHBondContact OE2-NE 3.43Å; E41-R60 IonicContact OE2-NH2 2.58Å; E41-R60 PolarHBondContact OE2-NH2 3.47Å; E41-T62 HydrophobicContact CB-CG2 3.95Å; E41-L316 VanDerWaalsContact OE1-CD1 3.32Å; E41-L316 WeakPolarHBondContact OE1-CD1 3.4Å
42	L	94.6	Very high	88.4	Confident	40 Å²	40	57.1 Å²	57.1	21%	0.209	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	143	175.2	-76.5	-148.5	0	0	0	111.9	Y40 H57 A59 T70 I72 W322	Y40-L42 PolarHBondContact O-N 3.21Å; L42-H57 HydrophobicContact CD1-CB 3.82Å; L42-H57 VanDerWaalsContact CD1-CG 3.48Å; L42-H57 HydrophobicContact CD2-CB 3.82Å; L42-H57 HydrophobicContact CG-CB 4.36Å; L42-A59 HydrophobicContact CD2-CB 3.65Å; L42-T70 HydrophobicContact CD2-CG2 4.04Å; L42-I72 HydrophobicContact CD1-CD1 4.02Å; L42-W322 HydrophobicContact CB-CZ2 4.27Å; L42-W322 HydrophobicContact CD1-CH2 3.14Å; L42-W322 HydrophobicContact CD1-CZ2 2.88Å; L42-W322 HydrophobicContact CD1-CZ3 4.28Å; L42-W322 HydrophobicContact CD2-CZ2 3.92Å; L42-W322 HydrophobicContact CG-CH2 3.94Å; L42-W322 HydrophobicContact CG-CZ2 3.12Å
43	Q	94.3	Very high	88.9	Confident	67 Å²	67	52.3 Å²	52.3	31%	0.313	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-125	173.1	-57.5	-176.2	-15.1	0	0	108.5	L58	Q43-L58 WeakPolarHBondContact CA-O 3.37Å; Q43-L58 HydrophobicContact CB-CB 4.45Å; Q43-L58 HydrophobicContact CB-CG 4.32Å; Q43-L58 WeakPolarHBondContact CB-O 3.44Å; Q43-L58 PolarHBondContact N-O 3.03Å
44	V	91.6	Very high	89.2	Confident	54 Å²	54	52.4 Å²	52.4	33%	0.327	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	142.2	-175.9	63.8	0	0	0	0	111.8	I46 H57 L58	V44-I46 HydrophobicContact CG1-CG2 3.87Å; V44-I46 PolarHBondContact O-N 3.1Å; V44-H57 WeakPolarHBondContact O-CA 3.34Å; V44-L58 HydrophobicContact CG1-CB 4.23Å; V44-L58 HydrophobicContact CG1-CD2 4.43Å; V44-L58 PolarHBondContact O-N 2.88Å
45	E	93.2	Very high	89.5	Confident	73 Å²	73	51.8 Å²	51.8	34%	0.341	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	116.3	165.5	-165.7	-172.7	138.3	0	0	108.6	R48 V56 H57	E45-R48 WeakPolarHBondContact OE1-CD 3.28Å; E45-R48 WeakPolarHBondContact OE1-CG 3.31Å; E45-R48 IonicContact OE1-CZ 2.85Å; E45-R48 IonicContact OE1-NE 2.66Å; E45-R48 PolarHBondContact OE1-NE 3.4Å; E45-R48 IonicContact OE1-NH2 3.82Å; E45-R48 PolarHBondContact OE1-NH2 3.39Å; E45-R48 IonicContact OE2-CZ 3.44Å; E45-R48 IonicContact OE2-NE 3.67Å; E45-R48 IonicContact OE2-NH2 2.69Å; E45-R48 PolarHBondContact OE2-NH2 3.24Å; E45-V56 CarbonylContact C-O 3.52Å; E45-H57 WeakPolarHBondContact CA-ND1 3.49Å
46	I	91.4	Very high	89.6	Confident	52 Å²	52	49.2 Å²	49.2	27%	0.267	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-8	-178.3	60.4	174.3	0	0	0	112.6	V44 V56 L58 T69 F120 F339	V44-I46 HydrophobicContact CG1-CG2 3.87Å; V44-I46 PolarHBondContact O-N 3.1Å; I46-V56 HydrophobicContact CD1-CG1 4.07Å; I46-V56 HydrophobicContact CG1-CB 4.28Å; I46-V56 HydrophobicContact CG1-CG1 3.82Å; I46-V56 WeakPolarHBondContact CG1-O 3.47Å; I46-V56 PolarHBondContact N-O 2.97Å; I46-L58 HydrophobicContact CG2-CB 3.96Å; I46-T69 HydrophobicContact CD1-CG2 4.22Å; I46-F120 HydrophobicContact CD1-CE2 4.22Å; I46-F339 WeakPolarHBondContact O-CE2 3.45Å; I46-F339 WeakPolarHBondContact O-CZ 3.48Å
47	G	87.8	Confident	89.8	Confident	3 Å²	3	46.9 Å²	46.9	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.5	173.6	173.5	0	0	0	0	0	114.5	V56	G47-V56 PolarHBondContact N-O 2.92Å; G47-V56 WeakPolarHBondContact O-CA 3.24Å; G47-V56 VanDerWaalsContact O-CB 3.32Å; G47-V56 WeakPolarHBondContact O-CB 3.32Å; G47-V56 PolarHBondContact O-N 2.87Å
48	R	88.4	Confident	89.9	Confident	115 Å²	115	46 Å²	46	43%	0.434	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	158.9	170.1	-62.4	-171.8	-179.1	-157.4	-7	110.6	E45 T54 E338 F339	E45-R48 WeakPolarHBondContact OE1-CD 3.28Å; E45-R48 WeakPolarHBondContact OE1-CG 3.31Å; E45-R48 IonicContact OE1-CZ 2.85Å; E45-R48 IonicContact OE1-NE 2.66Å; E45-R48 PolarHBondContact OE1-NE 3.4Å; E45-R48 IonicContact OE1-NH2 3.82Å; E45-R48 PolarHBondContact OE1-NH2 3.39Å; E45-R48 IonicContact OE2-CZ 3.44Å; E45-R48 IonicContact OE2-NE 3.67Å; E45-R48 IonicContact OE2-NH2 2.69Å; E45-R48 PolarHBondContact OE2-NH2 3.24Å; R48-T54 CarbonylContact C-O 3.55Å; R48-T54 VanDerWaalsContact CA-O 3.26Å; R48-T54 WeakPolarHBondContact CA-O 3.44Å; R48-E338 WeakPolarHBondContact O-CA 3.3Å; R48-F339 PolarHBondContact O-N 2.8Å
49	G	82.9	Confident	90	Very high	9 Å²	9	42 Å²	42	9%	0.093	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	177.8	176.7	0	0	0	0	0	112.1	D51 K52 L53 T54	G49-D51 PolarHBondContact O-N 2.77Å; G49-K52 PolarHBondContact O-N 2.86Å; G49-L53 PolarHBondContact O-N 2.93Å; G49-T54 PolarHBondContact N-O 2.8Å; G49-T54 WeakPolarHBondContact O-CB 3.21Å; G49-T54 PolarHBondContact O-N 3.18Å
50	F	77.3	Confident	90.1	Very high	32 Å²	32	43.5 Å²	43.5	14%	0.14	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	52.9	179.7	-157.5	-109.2	0	0	0	112	L53 T54 R82 V85 L86	F50-L53 HydrophobicContact CD1-CB 4.16Å; F50-L53 HydrophobicContact CD1-CD1 3.98Å; F50-L53 HydrophobicContact CE1-CD1 4.15Å; F50-L53 VanDerWaalsContact O-CB 3.28Å; F50-L53 WeakPolarHBondContact O-CB 3.45Å; F50-L53 WeakPolarHBondContact O-CG 3.45Å; F50-L53 PolarHBondContact O-N 3.04Å; F50-T54 WeakPolarHBondContact CB-OG1 3.48Å; F50-R82 HydrophobicContact CE1-CB 3.9Å; F50-R82 HydrophobicContact CE1-CG 4.28Å; F50-R82 HydrophobicContact CZ-CB 3.89Å; F50-R82 HydrophobicContact CZ-CG 4.22Å; F50-V85 HydrophobicContact CE2-CG1 4.05Å; F50-V85 HydrophobicContact CZ-CG1 4.47Å; F50-L86 HydrophobicContact CD1-CD1 4.11Å; F50-L86 HydrophobicContact CD1-CD2 4.07Å; F50-L86 HydrophobicContact CD1-CG 4.28Å; F50-L86 HydrophobicContact CD2-CD2 4Å; F50-L86 HydrophobicContact CE1-CD1 3.56Å; F50-L86 HydrophobicContact CE1-CD2 3.88Å; F50-L86 HydrophobicContact CE1-CG 3.63Å; F50-L86 HydrophobicContact CE2-CD2 3.8Å; F50-L86 HydrophobicContact CE2-CG 4.05Å; F50-L86 HydrophobicContact CG-CD2 4.14Å; F50-L86 HydrophobicContact CZ-CD1 3.98Å; F50-L86 HydrophobicContact CZ-CD2 3.75Å; F50-L86 HydrophobicContact CZ-CG 3.5Å
51	D	74	Confident	90	Very high	84 Å²	84	43.5 Å²	43.5	45%	0.449	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	51.1	179.3	-166.8	31.9	0	0	0	112.8	G49 L53 R82	G49-D51 PolarHBondContact O-N 2.77Å; D51-L53 PolarHBondContact O-N 3.06Å; D51-R82 IonicContact OD2-CZ 3.74Å; D51-R82 VanDerWaalsContact OD2-CZ 3.32Å; D51-R82 IonicContact OD2-NH1 3.68Å; D51-R82 PolarHBondContact OD2-NH1 3.34Å; D51-R82 IonicContact OD2-NH2 3.8Å; D51-R82 PolarHBondContact OD2-NH2 3.17Å
52	K	79.7	Confident	90	Very high	154 Å²	154	44.7 Å²	44.7	67%	0.67	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	5.3	-177.4	-55.9	177.7	-179.5	177.9	0	115.8	G49 T54	G49-K52 PolarHBondContact O-N 2.86Å; K52-T54 VanDerWaalsContact C-N 3.35Å
53	L	84.7	Confident	89.9	Confident	25 Å²	25	46.5 Å²	46.5	13%	0.131	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.1	176.1	-62.4	-177.6	0	0	0	113.5	G49 F50 D51 T73 N74 N77	G49-L53 PolarHBondContact O-N 2.93Å; F50-L53 HydrophobicContact CD1-CB 4.16Å; F50-L53 HydrophobicContact CD1-CD1 3.98Å; F50-L53 HydrophobicContact CE1-CD1 4.15Å; F50-L53 VanDerWaalsContact O-CB 3.28Å; F50-L53 WeakPolarHBondContact O-CB 3.45Å; F50-L53 WeakPolarHBondContact O-CG 3.45Å; F50-L53 PolarHBondContact O-N 3.04Å; D51-L53 PolarHBondContact O-N 3.06Å; L53-T73 HydrophobicContact CB-CG2 4.42Å; L53-T73 WeakPolarHBondContact O-CA 3.33Å; L53-N74 PolarHBondContact O-N 2.69Å; L53-N77 HydrophobicContact CD2-CB 3.55Å
54	T	90.6	Very high	89.9	Confident	10 Å²	10	46.8 Å²	46.8	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.8	179.5	-55.1	0	0	0	0	110.1	R48 G49 F50 K52 V56 K71 I72 T73	R48-T54 CarbonylContact C-O 3.55Å; R48-T54 VanDerWaalsContact CA-O 3.26Å; R48-T54 WeakPolarHBondContact CA-O 3.44Å; G49-T54 PolarHBondContact N-O 2.8Å; G49-T54 WeakPolarHBondContact O-CB 3.21Å; G49-T54 PolarHBondContact O-N 3.18Å; F50-T54 WeakPolarHBondContact CB-OG1 3.48Å; K52-T54 VanDerWaalsContact C-N 3.35Å; T54-V56 HydrophobicContact CG2-CG2 4.4Å; T54-K71 HydrophobicContact CG2-CB 3.88Å; T54-I72 WeakPolarHBondContact CA-O 3.47Å; T54-T73 WeakPolarHBondContact CG2-OG1 3.49Å; T54-T73 WeakPolarHBondContact OG1-CG2 3.43Å; T54-T73 PolarHBondContact OG1-OG1 3.44Å
55	S	93.8	Very high	89.8	Confident	24 Å²	24	46.3 Å²	46.3	17%	0.168	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.9	164.9	62.3	0	0	0	0	109.4	H57 K71 I72	S55-H57 VanDerWaalsContact CB-NE2 3.34Å; S55-H57 WeakPolarHBondContact CB-NE2 3.48Å; S55-H57 PolarHBondContact OG-NE2 2.86Å; S55-K71 WeakPolarHBondContact O-CA 3.4Å; S55-I72 PolarHBondContact N-O 2.97Å; S55-I72 PolarHBondContact O-N 3.48Å
56	V	94.6	Very high	89.8	Confident	11 Å²	11	44.9 Å²	44.9	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.1	-178.4	-172.4	0	0	0	0	107.6	E45 I46 G47 T54 T69 K71	E45-V56 CarbonylContact C-O 3.52Å; I46-V56 HydrophobicContact CD1-CG1 4.07Å; I46-V56 HydrophobicContact CG1-CB 4.28Å; I46-V56 HydrophobicContact CG1-CG1 3.82Å; I46-V56 WeakPolarHBondContact CG1-O 3.47Å; I46-V56 PolarHBondContact N-O 2.97Å; G47-V56 PolarHBondContact N-O 2.92Å; G47-V56 WeakPolarHBondContact O-CA 3.24Å; G47-V56 VanDerWaalsContact O-CB 3.32Å; G47-V56 WeakPolarHBondContact O-CB 3.32Å; G47-V56 PolarHBondContact O-N 2.87Å; T54-V56 HydrophobicContact CG2-CG2 4.4Å; V56-T69 HydrophobicContact CG1-CG2 3.4Å; V56-K71 HydrophobicContact CG1-CG 4.05Å; V56-K71 HydrophobicContact CG2-CD 4.47Å; V56-K71 HydrophobicContact CG2-CG 4.03Å
57	H	95.4	Very high	89.9	Confident	22 Å²	22	46 Å²	46	10%	0.102	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.5	-174.8	-63.1	-91.2	0	0	0	110.9	L42 V44 E45 S55 T69 T70	L42-H57 HydrophobicContact CD1-CB 3.82Å; L42-H57 VanDerWaalsContact CD1-CG 3.48Å; L42-H57 HydrophobicContact CD2-CB 3.82Å; L42-H57 HydrophobicContact CG-CB 4.36Å; V44-H57 WeakPolarHBondContact O-CA 3.34Å; E45-H57 WeakPolarHBondContact CA-ND1 3.49Å; S55-H57 VanDerWaalsContact CB-NE2 3.34Å; S55-H57 WeakPolarHBondContact CB-NE2 3.48Å; S55-H57 PolarHBondContact OG-NE2 2.86Å; H57-T69 WeakPolarHBondContact O-CA 3.39Å; H57-T70 PolarHBondContact N-O 3.35Å; H57-T70 PolarHBondContact O-N 3.24Å
58	L	95.3	Very high	90.3	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	134.4	156.1	173.4	60.6	0	0	0	107.5	Q43 V44 I46 L67 F120 Y309	Q43-L58 WeakPolarHBondContact CA-O 3.37Å; Q43-L58 HydrophobicContact CB-CB 4.45Å; Q43-L58 HydrophobicContact CB-CG 4.32Å; Q43-L58 WeakPolarHBondContact CB-O 3.44Å; Q43-L58 PolarHBondContact N-O 3.03Å; V44-L58 HydrophobicContact CG1-CB 4.23Å; V44-L58 HydrophobicContact CG1-CD2 4.43Å; V44-L58 PolarHBondContact O-N 2.88Å; I46-L58 HydrophobicContact CG2-CB 3.96Å; L58-L67 HydrophobicContact CD1-CB 4.11Å; L58-L67 HydrophobicContact CD1-CD1 4.48Å; L58-L67 HydrophobicContact CD1-CD2 4.2Å; L58-L67 HydrophobicContact CD1-CG 4.49Å; L58-F120 HydrophobicContact CD1-CB 4.43Å; L58-F120 HydrophobicContact CD1-CD1 4.02Å; L58-F120 HydrophobicContact CD1-CD2 3.64Å; L58-F120 HydrophobicContact CD1-CE1 4.15Å; L58-F120 HydrophobicContact CD1-CE2 3.81Å; L58-F120 HydrophobicContact CD1-CG 3.76Å; L58-F120 HydrophobicContact CD1-CZ 4.06Å; L58-F120 HydrophobicContact CD2-CZ 4.43Å; L58-Y309 HydrophobicContact CD2-CE1 4.26Å
59	A	95.6	Very high	90.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	156.8	175.3	0	0	0	0	0	110.8	E41 L42 L67 V68 T70	E41-A59 CarbonylContact O-C 2.9Å; E41-A59 WeakPolarHBondContact O-CA 3.47Å; E41-A59 WeakPolarHBondContact O-CB 3.48Å; L42-A59 HydrophobicContact CD2-CB 3.65Å; A59-L67 WeakPolarHBondContact O-CA 3.47Å; A59-V68 HydrophobicContact CB-CG2 3.89Å; A59-V68 PolarHBondContact N-O 3.1Å; A59-V68 PolarHBondContact O-N 2.83Å; A59-T70 WeakPolarHBondContact CB-OG1 3.45Å
60	R	95.1	Very high	91.2	Very high	86 Å²	86	40.4 Å²	40.4	33%	0.325	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.2	168.9	179.9	170.8	62.2	-136	8.5	108.9	E41 T62 L67	E41-R60 HydrophobicContact CB-CB 4.47Å; E41-R60 PolarHBondContact N-O 3.48Å; E41-R60 PolarHBondContact O-N 2.83Å; E41-R60 IonicContact OE1-CZ 3.54Å; E41-R60 IonicContact OE1-NH2 2.76Å; E41-R60 PolarHBondContact OE1-NH2 2.9Å; E41-R60 IonicContact OE2-CZ 3.17Å; E41-R60 IonicContact OE2-NE 3.24Å; E41-R60 PolarHBondContact OE2-NE 3.43Å; E41-R60 IonicContact OE2-NH2 2.58Å; E41-R60 PolarHBondContact OE2-NH2 3.47Å; R60-T62 PolarHBondContact O-N 3.2Å; R60-L67 HydrophobicContact CB-CD2 4.38Å
61	H	95.1	Very high	92.1	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.019	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	104.8	168.9	-178	-121.6	0	0	0	108.5	H39 Y40 P63 T64 G65 T66 V68	H39-H61 CarbonylContact O-C 3.59Å; H39-H61 VanDerWaalsContact O-CA 3.28Å; H39-H61 WeakPolarHBondContact O-CA 3.48Å; Y40-H61 HydrophobicContact CE1-CB 4.48Å; Y40-H61 AromaticContact CE1-CD2 3.62Å; Y40-H61 AromaticContact CZ-CD2 3.95Å; H61-P63 VanDerWaalsContact C-CD 3.44Å; H61-T64 PolarHBondContact ND1-OG1 2.98Å; H61-T64 PolarHBondContact O-N 3.23Å; H61-G65 WeakPolarHBondContact O-CA 3.45Å; H61-G65 PolarHBondContact O-N 3.43Å; H61-T66 PolarHBondContact N-O 3.17Å; H61-V68 HydrophobicContact CB-CG1 4.25Å
62	T	94.1	Very high	93.1	Very high	67 Å²	67	37.4 Å²	37.4	41%	0.411	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-36.2	-169.6	62.4	0	0	0	0	114.2	H39 E41 R60 T64	H39-T62 WeakPolarHBondContact CA-OG1 3.4Å; H39-T62 PolarHBondContact O-N 3.46Å; H39-T62 PolarHBondContact O-OG1 3.08Å; E41-T62 HydrophobicContact CB-CG2 3.95Å; R60-T62 PolarHBondContact O-N 3.2Å; T62-T64 VanDerWaalsContact C-N 3.33Å; T62-T64 PolarHBondContact O-N 2.98Å
63	P	93.9	Very high	93.8	Very high	78 Å²	78	30.3 Å²	30.3	51%	0.506	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-30.1	178.8	-22.4	35.5	0	0	0	114.2	H39 H61	H39-P63 HydrophobicContact CB-CG 4.03Å; H61-P63 VanDerWaalsContact C-CD 3.44Å
64	T	92.5	Very high	94.1	Very high	73 Å²	73	30 Å²	30	45%	0.448	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-10.7	-174.8	65.6	0	0	0	0	113.7	V31 H61 T62 T66	V31-T64 HydrophobicContact CG1-CG2 4.26Å; H61-T64 PolarHBondContact ND1-OG1 2.98Å; H61-T64 PolarHBondContact O-N 3.23Å; T62-T64 VanDerWaalsContact C-N 3.33Å; T62-T64 PolarHBondContact O-N 2.98Å; T64-T66 WeakPolarHBondContact CB-OG1 3.01Å; T64-T66 PolarHBondContact O-N 2.85Å; T64-T66 VanDerWaalsContact OG1-CB 3.31Å; T64-T66 WeakPolarHBondContact OG1-CB 3.41Å; T64-T66 PolarHBondContact OG1-N 2.97Å; T64-T66 PolarHBondContact OG1-OG1 3.28Å
65	G	90.8	Very high	94.1	Very high	44 Å²	44	31.7 Å²	31.7	45%	0.454	18%	0.184	S	C	.	.			trans	68.7	0.9	-170.9	0	0	0	0	0	114.3	H61	H61-G65 WeakPolarHBondContact O-CA 3.45Å; H61-G65 PolarHBondContact O-N 3.43Å
66	T	92.3	Very high	93.8	Very high	44 Å²	44	37.4 Å²	37.4	27%	0.27	21%	0.208	S	C	.	.			trans	-69.8	134.2	-175.4	-50	0	0	0	0	110.8	H61 T64 W105	H61-T66 PolarHBondContact N-O 3.17Å; T64-T66 WeakPolarHBondContact CB-OG1 3.01Å; T64-T66 PolarHBondContact O-N 2.85Å; T64-T66 VanDerWaalsContact OG1-CB 3.31Å; T64-T66 WeakPolarHBondContact OG1-CB 3.41Å; T64-T66 PolarHBondContact OG1-N 2.97Å; T64-T66 PolarHBondContact OG1-OG1 3.28Å; T66-W105 HydrophobicContact CG2-CH2 4.16Å; T66-W105 HydrophobicContact CG2-CZ3 4.19Å
67	L	93.9	Very high	93.1	Very high	74 Å²	74	41.7 Å²	41.7	39%	0.387	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	132.7	170.5	-64.4	-179	0	0	0	110.4	L58 A59 R60 F120	L58-L67 HydrophobicContact CD1-CB 4.11Å; L58-L67 HydrophobicContact CD1-CD1 4.48Å; L58-L67 HydrophobicContact CD1-CD2 4.2Å; L58-L67 HydrophobicContact CD1-CG 4.49Å; A59-L67 WeakPolarHBondContact O-CA 3.47Å; R60-L67 HydrophobicContact CB-CD2 4.38Å; L67-F120 HydrophobicContact CB-CB 4.09Å; L67-F120 HydrophobicContact CB-CD1 4.12Å; L67-F120 HydrophobicContact CB-CG 4.37Å; L67-F120 HydrophobicContact CD1-CD1 4.23Å; L67-F120 HydrophobicContact CD1-CE1 4.5Å; L67-F120 WeakPolarHBondContact O-CB 2.94Å
68	V	95.4	Very high	92.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157.5	-178.6	-57.3	0	0	0	0	110.8	Y40 A59 H61 W105 I117	Y40-V68 HydrophobicContact CD1-CG2 4.05Å; Y40-V68 HydrophobicContact CE1-CG2 4.36Å; A59-V68 HydrophobicContact CB-CG2 3.89Å; A59-V68 PolarHBondContact N-O 3.1Å; A59-V68 PolarHBondContact O-N 2.83Å; H61-V68 HydrophobicContact CB-CG1 4.25Å; V68-W105 HydrophobicContact CG1-CE3 4.02Å; V68-W105 HydrophobicContact CG1-CZ3 3.6Å; V68-I117 HydrophobicContact CB-CG2 4.02Å; V68-I117 HydrophobicContact CG1-CG2 4.31Å; V68-I117 HydrophobicContact CG2-CG2 4.1Å
69	T	95.7	Very high	91.6	Very high	11 Å²	11	44.7 Å²	44.7	7%	0.067	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.1	165.8	-54.8	0	0	0	0	108.6	I46 V56 H57 K71 I117 S118 P119	I46-T69 HydrophobicContact CD1-CG2 4.22Å; V56-T69 HydrophobicContact CG1-CG2 3.4Å; H57-T69 WeakPolarHBondContact O-CA 3.39Å; T69-K71 HydrophobicContact CG2-CG 4.49Å; T69-I117 WeakPolarHBondContact O-CA 3.37Å; T69-S118 PolarHBondContact N-O 3.26Å; T69-S118 PolarHBondContact O-N 3.08Å; T69-P119 PolarHBondContact OG1-O 3.15Å; T69-P119 VanDerWaalsContact OG1-O 3.08Å
70	T	96.2	Very high	91.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	112.4	177.3	-60.8	0	0	0	0	109.6	L42 H57 A59 I72 W115 I117	L42-T70 HydrophobicContact CD2-CG2 4.04Å; H57-T70 PolarHBondContact N-O 3.35Å; H57-T70 PolarHBondContact O-N 3.24Å; A59-T70 WeakPolarHBondContact CB-OG1 3.45Å; T70-I72 HydrophobicContact CG2-CD1 3.92Å; T70-I72 HydrophobicContact CG2-CG1 3.74Å; T70-W115 HydrophobicContact CG2-CD2 4.33Å; T70-W115 HydrophobicContact CG2-CE3 3.42Å; T70-W115 VanDerWaalsContact CG2-CE3 3.42Å; T70-W115 HydrophobicContact CG2-CZ3 3.55Å; T70-I117 HydrophobicContact CG2-CD1 3.65Å; T70-I117 WeakPolarHBondContact OG1-CD1 3.17Å
71	K	94.9	Very high	90.6	Very high	47 Å²	47	52.4 Å²	52.4	20%	0.204	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.8	173.5	-57.1	-174.7	174.3	-178.1	0	109.2	T54 S55 V56 T69 W115 V116	T54-K71 HydrophobicContact CG2-CB 3.88Å; S55-K71 WeakPolarHBondContact O-CA 3.4Å; V56-K71 HydrophobicContact CG1-CG 4.05Å; V56-K71 HydrophobicContact CG2-CD 4.47Å; V56-K71 HydrophobicContact CG2-CG 4.03Å; T69-K71 HydrophobicContact CG2-CG 4.49Å; K71-W115 CarbonylContact O-C 3.55Å; K71-W115 WeakPolarHBondContact O-CA 3.24Å; K71-V116 HydrophobicContact CB-CB 4.21Å; K71-V116 PolarHBondContact N-O 2.92Å; K71-V116 PolarHBondContact O-N 3.39Å
72	I	95.4	Very high	90	Very high	5 Å²	5	54 Å²	54	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	112.2	-175.3	-55.9	175.2	0	0	0	107.9	L42 T54 S55 T70 W113 L114 W115 W322	L42-I72 HydrophobicContact CD1-CD1 4.02Å; T54-I72 WeakPolarHBondContact CA-O 3.47Å; S55-I72 PolarHBondContact N-O 2.97Å; S55-I72 PolarHBondContact O-N 3.48Å; T70-I72 HydrophobicContact CG2-CD1 3.92Å; T70-I72 HydrophobicContact CG2-CG1 3.74Å; I72-W113 HydrophobicContact CG2-CB 4.28Å; I72-W113 HydrophobicContact CG2-CD2 4.37Å; I72-W113 HydrophobicContact CG2-CE3 3.69Å; I72-W113 HydrophobicContact CG2-CZ3 4.36Å; I72-L114 CarbonylContact C-O 3.54Å; I72-L114 WeakPolarHBondContact CA-O 3.49Å; I72-W115 HydrophobicContact CD1-CD2 4.3Å; I72-W115 HydrophobicContact CD1-CE3 4.37Å; I72-W115 HydrophobicContact CD1-CH2 3.87Å; I72-W115 HydrophobicContact CD1-CZ2 3.76Å; I72-W115 HydrophobicContact CD1-CZ3 4.17Å; I72-W115 HydrophobicContact CG1-CD2 4.09Å; I72-W115 HydrophobicContact CG1-CE3 4.36Å; I72-W115 HydrophobicContact CG1-CZ2 4.38Å; I72-W322 HydrophobicContact CD1-CH2 3.25Å; I72-W322 HydrophobicContact CD1-CZ2 3.36Å; I72-W322 HydrophobicContact CD1-CZ3 4.43Å
73	T	94	Very high	89.6	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.4	-177.2	-50.8	0	0	0	0	110.2	L53 T54 L75 L86 W113 L114	L53-T73 HydrophobicContact CB-CG2 4.42Å; L53-T73 WeakPolarHBondContact O-CA 3.33Å; T54-T73 WeakPolarHBondContact CG2-OG1 3.49Å; T54-T73 WeakPolarHBondContact OG1-CG2 3.43Å; T54-T73 PolarHBondContact OG1-OG1 3.44Å; T73-L75 PolarHBondContact O-N 3.43Å; T73-L86 HydrophobicContact CG2-CD1 3.85Å; T73-W113 WeakPolarHBondContact O-CA 3.38Å; T73-L114 PolarHBondContact N-O 3.47Å; T73-L114 PolarHBondContact O-N 2.85Å
74	N	91.8	Very high	89.4	Confident	18 Å²	18	54.5 Å²	54.5	10%	0.096	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	118.4	171.1	-170.1	-33.8	0	0	0	109.8	L53 E76 N77 W113	L53-N74 PolarHBondContact O-N 2.69Å; N74-E76 WeakPolarHBondContact OD1-CB 3.29Å; N74-E76 PolarHBondContact OD1-N 2.77Å; N74-N77 HydrophobicContact CB-CB 4.4Å; N74-N77 PolarHBondContact ND2-ND2 3.21Å; N74-N77 PolarHBondContact OD1-N 3.06Å; N74-W113 HydrophobicContact CB-CD2 4.48Å; N74-W113 HydrophobicContact CB-CE3 3.76Å; N74-W113 HydrophobicContact CB-CH2 3.87Å; N74-W113 HydrophobicContact CB-CZ3 3.46Å; N74-W113 VanDerWaalsContact CB-CZ3 3.46Å; N74-W113 WeakPolarHBondContact ND2-CH2 3.39Å
75	L	89.6	Confident	89	Confident	46 Å²	46	52.4 Å²	52.4	24%	0.241	27%	0.271	C	S	.	.	S	Bend	trans	-81.8	-24.6	-179.4	-58.7	177.7	0	0	0	113.3	T73 G78 L83 L86 T109 S112 L114	T73-L75 PolarHBondContact O-N 3.43Å; L75-G78 PolarHBondContact O-N 3.22Å; L75-L83 HydrophobicContact CB-CD2 4.14Å; L75-L83 HydrophobicContact CD2-CD2 3.73Å; L75-L86 HydrophobicContact CD2-CD1 4.37Å; L75-T109 HydrophobicContact CD1-CG2 4.35Å; L75-S112 VanDerWaalsContact CB-O 3.24Å; L75-S112 WeakPolarHBondContact CB-O 3.35Å; L75-S112 WeakPolarHBondContact CG-O 3.48Å; L75-S112 PolarHBondContact N-O 3.35Å; L75-L114 HydrophobicContact CD1-CB 4.19Å; L75-L114 HydrophobicContact CD2-CB 3.87Å; L75-L114 HydrophobicContact CD2-CD2 4.47Å; L75-L114 HydrophobicContact CG-CB 4.11Å
76	E	87.4	Confident	88.9	Confident	143 Å²	143	51.1 Å²	51.1	67%	0.668	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-34.9	177.7	-77.2	171.6	-171.7	0	0	112.2	N74 G78 S112	N74-E76 WeakPolarHBondContact OD1-CB 3.29Å; N74-E76 PolarHBondContact OD1-N 2.77Å; E76-G78 PolarHBondContact O-N 2.98Å; E76-S112 VanDerWaalsContact CD-OG 3.31Å; E76-S112 VanDerWaalsContact OE1-CB 3.3Å; E76-S112 WeakPolarHBondContact OE1-CB 3.34Å; E76-S112 PolarHBondContact OE1-OG 3.37Å
77	N	80.3	Confident	88.7	Confident	102 Å²	102	55 Å²	55	55%	0.545	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-3	178.3	-66.4	-6.8	0	0	0	112.8	L53 N74	L53-N77 HydrophobicContact CD2-CB 3.55Å; N74-N77 HydrophobicContact CB-CB 4.4Å; N74-N77 PolarHBondContact ND2-ND2 3.21Å; N74-N77 PolarHBondContact OD1-N 3.06Å
78	G	74.9	Confident	88.4	Confident	14 Å²	14	57.9 Å²	57.9	14%	0.144	28%	0.279	C	S	.	.			trans	-93.6	128.2	-179.1	0	0	0	0	0	112.8	L75 E76	L75-G78 PolarHBondContact O-N 3.22Å; E76-G78 PolarHBondContact O-N 2.98Å
79	N	84.1	Confident	87.9	Confident	77 Å²	77	58 Å²	58	41%	0.412	28%	0.279	S	S	.	.			trans	-69	163.7	166.9	73.1	31.1	0	0	0	111.6	E81 R82 L83	N79-E81 PolarHBondContact O-N 3.15Å; N79-E81 VanDerWaalsContact O-N 3.11Å; N79-E81 PolarHBondContact OD1-N 2.96Å; N79-E81 VanDerWaalsContact OD1-N 3.15Å; N79-R82 WeakPolarHBondContact O-CB 3.37Å; N79-R82 PolarHBondContact O-N 3.33Å; N79-R82 VanDerWaalsContact O-N 3.07Å; N79-R82 WeakPolarHBondContact OD1-CG 3.3Å; N79-R82 PolarHBondContact OD1-N 3.01Å; N79-L83 PolarHBondContact O-N 2.84Å
80	K	85.4	Confident	87.5	Confident	171 Å²	171	59.2 Å²	59.2	74%	0.743	29%	0.285	S	S	*	.	H	α-helix	trans	-53.4	-35.7	-177.9	-71.6	-176.5	178.6	178.4	0	113.7	K84	K80-K84 VanDerWaalsContact O-CG 3.32Å; K80-K84 WeakPolarHBondContact O-CG 3.21Å; K80-K84 PolarHBondContact O-N 3.01Å; K80-K84 VanDerWaalsContact O-N 3.15Å
81	E	84.7	Confident	87.1	Confident	77 Å²	77	63.7 Å²	63.7	36%	0.36	31%	0.307	S	S	.	.	H	α-helix	trans	-72.2	-41.8	179.8	-62.9	-52.1	124.4	0	0	111.7	N79 L83 K84 V85	N79-E81 PolarHBondContact O-N 3.15Å; N79-E81 VanDerWaalsContact O-N 3.11Å; N79-E81 PolarHBondContact OD1-N 2.96Å; N79-E81 VanDerWaalsContact OD1-N 3.15Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.39Å; E81-K84 WeakPolarHBondContact O-CB 3.43Å; E81-K84 PolarHBondContact O-N 3.46Å; E81-K84 IonicContact OE1-NZ 3.77Å; E81-K84 PolarHBondContact OE1-NZ 3.4Å; E81-K84 IonicContact OE2-NZ 2.97Å; E81-V85 WeakPolarHBondContact O-CG2 3.3Å; E81-V85 PolarHBondContact O-N 2.89Å
82	R	83.2	Confident	86.6	Confident	38 Å²	38	63.4 Å²	63.4	14%	0.143	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-43.7	173.9	-73.7	178.3	-177.7	-163.4	-5.1	111.8	F50 D51 N79 K84 V85 L86 F207	F50-R82 HydrophobicContact CE1-CB 3.9Å; F50-R82 HydrophobicContact CE1-CG 4.28Å; F50-R82 HydrophobicContact CZ-CB 3.89Å; F50-R82 HydrophobicContact CZ-CG 4.22Å; D51-R82 IonicContact OD2-CZ 3.74Å; D51-R82 VanDerWaalsContact OD2-CZ 3.32Å; D51-R82 IonicContact OD2-NH1 3.68Å; D51-R82 PolarHBondContact OD2-NH1 3.34Å; D51-R82 IonicContact OD2-NH2 3.8Å; D51-R82 PolarHBondContact OD2-NH2 3.17Å; N79-R82 WeakPolarHBondContact O-CB 3.37Å; N79-R82 PolarHBondContact O-N 3.33Å; N79-R82 VanDerWaalsContact O-N 3.07Å; N79-R82 WeakPolarHBondContact OD1-CG 3.3Å; N79-R82 PolarHBondContact OD1-N 3.01Å; R82-K84 VanDerWaalsContact C-N 3.35Å; R82-K84 PolarHBondContact O-N 3.49Å; R82-V85 WeakPolarHBondContact O-CB 3.35Å; R82-V85 PolarHBondContact O-N 2.84Å; R82-L86 PolarHBondContact O-N 2.75Å; R82-F207 HydrophobicContact CG-CD2 4.44Å; R82-F207 HydrophobicContact CG-CE2 3.73Å; R82-F207 HydrophobicContact CG-CZ 3.83Å
83	L	86.3	Confident	86.1	Confident	61 Å²	61	63.6 Å²	63.6	32%	0.319	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-40.7	177.2	-65.5	178.2	0	0	0	111.9	L75 N79 E81 V85 L86 Q87	L75-L83 HydrophobicContact CB-CD2 4.14Å; L75-L83 HydrophobicContact CD2-CD2 3.73Å; N79-L83 PolarHBondContact O-N 2.84Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.39Å; L83-V85 VanDerWaalsContact C-N 3.34Å; L83-V85 PolarHBondContact O-N 3.14Å; L83-L86 PolarHBondContact O-N 2.95Å; L83-Q87 WeakPolarHBondContact O-CB 3.19Å; L83-Q87 PolarHBondContact O-N 3.27Å
84	K	87.8	Confident	85.6	Confident	93 Å²	93	70.4 Å²	70.4	40%	0.404	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-40	174	-72.7	170.1	-174.2	169.9	0	112.2	K80 E81 R82 K88	K80-K84 VanDerWaalsContact O-CG 3.32Å; K80-K84 WeakPolarHBondContact O-CG 3.21Å; K80-K84 PolarHBondContact O-N 3.01Å; K80-K84 VanDerWaalsContact O-N 3.15Å; E81-K84 WeakPolarHBondContact O-CB 3.43Å; E81-K84 PolarHBondContact O-N 3.46Å; E81-K84 IonicContact OE1-NZ 3.77Å; E81-K84 PolarHBondContact OE1-NZ 3.4Å; E81-K84 IonicContact OE2-NZ 2.97Å; R82-K84 VanDerWaalsContact C-N 3.35Å; R82-K84 PolarHBondContact O-N 3.49Å; K84-K88 WeakPolarHBondContact O-CB 3.38Å; K84-K88 VanDerWaalsContact O-CG 3.25Å; K84-K88 WeakPolarHBondContact O-CG 3.25Å; K84-K88 PolarHBondContact O-N 3.5Å
85	V	86.1	Confident	85.3	Confident	29 Å²	29	75.5 Å²	75.5	18%	0.176	36%	0.362	C	S	.	.	H	α-helix	trans	-62.2	-48.8	176.7	171.4	0	0	0	0	110.2	F50 E81 R82 L83 K88 A89 S186	F50-V85 HydrophobicContact CE2-CG1 4.05Å; F50-V85 HydrophobicContact CZ-CG1 4.47Å; E81-V85 WeakPolarHBondContact O-CG2 3.3Å; E81-V85 PolarHBondContact O-N 2.89Å; R82-V85 WeakPolarHBondContact O-CB 3.35Å; R82-V85 PolarHBondContact O-N 2.84Å; L83-V85 VanDerWaalsContact C-N 3.34Å; L83-V85 PolarHBondContact O-N 3.14Å; V85-K88 PolarHBondContact O-N 2.95Å; V85-A89 WeakPolarHBondContact O-CB 3.49Å; V85-A89 PolarHBondContact O-N 3.26Å; V85-S186 WeakPolarHBondContact CG1-O 3.45Å
86	L	86.9	Confident	85.4	Confident	17 Å²	17	73.8 Å²	73.8	9%	0.089	35%	0.353	C	S	.	.	H	α-helix	trans	-60.3	-48.4	176.4	-70.4	173.4	0	0	0	112.2	F50 T73 L75 R82 L83 K88 A89 M90	F50-L86 HydrophobicContact CD1-CD1 4.11Å; F50-L86 HydrophobicContact CD1-CD2 4.07Å; F50-L86 HydrophobicContact CD1-CG 4.28Å; F50-L86 HydrophobicContact CD2-CD2 4Å; F50-L86 HydrophobicContact CE1-CD1 3.56Å; F50-L86 HydrophobicContact CE1-CD2 3.88Å; F50-L86 HydrophobicContact CE1-CG 3.63Å; F50-L86 HydrophobicContact CE2-CD2 3.8Å; F50-L86 HydrophobicContact CE2-CG 4.05Å; F50-L86 HydrophobicContact CG-CD2 4.14Å; F50-L86 HydrophobicContact CZ-CD1 3.98Å; F50-L86 HydrophobicContact CZ-CD2 3.75Å; F50-L86 HydrophobicContact CZ-CG 3.5Å; T73-L86 HydrophobicContact CG2-CD1 3.85Å; L75-L86 HydrophobicContact CD2-CD1 4.37Å; R82-L86 PolarHBondContact O-N 2.75Å; L83-L86 PolarHBondContact O-N 2.95Å; L86-K88 PolarHBondContact O-N 3.09Å; L86-A89 WeakPolarHBondContact O-CB 3.3Å; L86-A89 PolarHBondContact O-N 2.99Å; L86-A89 VanDerWaalsContact O-N 3.17Å; L86-M90 WeakPolarHBondContact O-CG 3.19Å; L86-M90 PolarHBondContact O-N 3.16Å
87	Q	88.4	Confident	85.5	Confident	126 Å²	126	75.9 Å²	75.9	59%	0.589	36%	0.355	S	S	*	.	H	α-helix	trans	-58.3	-47.9	-179.9	-174.1	-175.2	22	0	0	111.5	L83 A89 M90 I91	L83-Q87 WeakPolarHBondContact O-CB 3.19Å; L83-Q87 PolarHBondContact O-N 3.27Å; Q87-A89 VanDerWaalsContact C-N 3.3Å; Q87-A89 PolarHBondContact O-N 3.47Å; Q87-M90 PolarHBondContact O-N 2.67Å; Q87-I91 HydrophobicContact CG-CD1 3.97Å; Q87-I91 WeakPolarHBondContact O-CG1 3.41Å; Q87-I91 PolarHBondContact O-N 2.63Å
88	K	87.3	Confident	86.2	Confident	135 Å²	135	71.7 Å²	71.7	59%	0.587	33%	0.332	S	S	*	.	H	α-helix	trans	-59	-43.3	176.8	-76.2	173.5	-178.8	177.3	0	111.6	K84 V85 L86 I91 L92	K84-K88 WeakPolarHBondContact O-CB 3.38Å; K84-K88 VanDerWaalsContact O-CG 3.25Å; K84-K88 WeakPolarHBondContact O-CG 3.25Å; K84-K88 PolarHBondContact O-N 3.5Å; V85-K88 PolarHBondContact O-N 2.95Å; L86-K88 PolarHBondContact O-N 3.09Å; K88-I91 PolarHBondContact O-N 2.78Å; K88-L92 WeakPolarHBondContact O-CB 3.35Å; K88-L92 WeakPolarHBondContact O-CG 3.45Å; K88-L92 PolarHBondContact O-N 2.86Å
89	A	85.9	Confident	87.1	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-42.1	179.3	0	0	0	0	0	112.3	V85 L86 Q87 S93	V85-A89 WeakPolarHBondContact O-CB 3.49Å; V85-A89 PolarHBondContact O-N 3.26Å; L86-A89 WeakPolarHBondContact O-CB 3.3Å; L86-A89 PolarHBondContact O-N 2.99Å; L86-A89 VanDerWaalsContact O-N 3.17Å; Q87-A89 VanDerWaalsContact C-N 3.3Å; Q87-A89 PolarHBondContact O-N 3.47Å; A89-S93 WeakPolarHBondContact O-CB 3.34Å; A89-S93 PolarHBondContact O-N 3Å; A89-S93 PolarHBondContact O-OG 2.92Å; A89-S93 VanDerWaalsContact O-OG 3.06Å
90	M	87.5	Confident	87.7	Confident	38 Å²	38	69.4 Å²	69.4	19%	0.187	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-47.4	176.6	-65.2	-54.3	103.1	0	0	111.2	L86 Q87 L92 S93 H94 Y104 V107 V116	L86-M90 WeakPolarHBondContact O-CG 3.19Å; L86-M90 PolarHBondContact O-N 3.16Å; Q87-M90 PolarHBondContact O-N 2.67Å; M90-L92 PolarHBondContact O-N 2.84Å; M90-S93 WeakPolarHBondContact CA-OG 3.23Å; M90-S93 PolarHBondContact O-N 3.08Å; M90-S93 PolarHBondContact O-OG 3Å; M90-H94 PolarHBondContact O-N 3.36Å; M90-Y104 HydrophobicContact CE-CD2 4.3Å; M90-Y104 HydrophobicContact CE-CE2 3.53Å; M90-Y104 HydrophobicContact SD-CD2 4.12Å; M90-Y104 HydrophobicContact SD-CE2 3.95Å; M90-V107 HydrophobicContact CG-CG1 4.42Å; M90-V107 HydrophobicContact SD-CG1 3.99Å; M90-V107 HydrophobicContact SD-CG2 4.12Å; M90-V116 HydrophobicContact CE-CG2 4.32Å; M90-V116 HydrophobicContact SD-CG2 3.72Å
91	I	87.1	Confident	88.2	Confident	93 Å²	93	61.3 Å²	61.3	48%	0.477	28%	0.283	S	S	.	.	H	α-helix	trans	-59.2	-50.5	178	-67.2	167.1	0	0	0	110.8	Q87 K88 S93 H94 F95	Q87-I91 HydrophobicContact CG-CD1 3.97Å; Q87-I91 WeakPolarHBondContact O-CG1 3.41Å; Q87-I91 PolarHBondContact O-N 2.63Å; K88-I91 PolarHBondContact O-N 2.78Å; I91-S93 PolarHBondContact O-N 2.8Å; I91-H94 WeakPolarHBondContact O-CB 3.48Å; I91-H94 PolarHBondContact O-N 2.93Å; I91-F95 HydrophobicContact CG2-CE2 3.98Å; I91-F95 WeakPolarHBondContact O-CD2 3.27Å; I91-F95 VanDerWaalsContact O-CE2 3.27Å; I91-F95 WeakPolarHBondContact O-CE2 3.33Å
92	L	85.1	Confident	88.5	Confident	41 Å²	41	57.9 Å²	57.9	22%	0.215	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-43.5	-179.2	-72.2	175	0	0	0	111.8	K88 M90 H94 F95 F96 L188	K88-L92 WeakPolarHBondContact O-CB 3.35Å; K88-L92 WeakPolarHBondContact O-CG 3.45Å; K88-L92 PolarHBondContact O-N 2.86Å; M90-L92 PolarHBondContact O-N 2.84Å; L92-H94 PolarHBondContact O-N 3.47Å; L92-F95 PolarHBondContact O-N 3.43Å; L92-F95 VanDerWaalsContact O-N 3.08Å; L92-F96 HydrophobicContact CB-CE2 4.06Å; L92-F96 HydrophobicContact CB-CZ 4.2Å; L92-F96 WeakPolarHBondContact O-CD2 3.34Å; L92-F96 WeakPolarHBondContact O-CE2 3.4Å; L92-L188 HydrophobicContact CD1-CB 3.95Å
93	S	84.2	Confident	88.7	Confident	9 Å²	9	59 Å²	59	6%	0.063	28%	0.278	C	S	.	.	H	α-helix	trans	-60.2	-29.3	-178.5	66.4	0	0	0	0	113.6	A89 M90 I91 F95 F96 Y104	A89-S93 WeakPolarHBondContact O-CB 3.34Å; A89-S93 PolarHBondContact O-N 3Å; A89-S93 PolarHBondContact O-OG 2.92Å; A89-S93 VanDerWaalsContact O-OG 3.06Å; M90-S93 WeakPolarHBondContact CA-OG 3.23Å; M90-S93 PolarHBondContact O-N 3.08Å; M90-S93 PolarHBondContact O-OG 3Å; I91-S93 PolarHBondContact O-N 2.8Å; S93-F95 PolarHBondContact O-N 2.84Å; S93-F96 PolarHBondContact O-N 2.97Å; S93-Y104 VanDerWaalsContact CB-CE2 3.42Å; S93-Y104 WeakPolarHBondContact OG-CD2 3.49Å; S93-Y104 WeakPolarHBondContact OG-CE2 3.11Å
94	H	84.8	Confident	88.9	Confident	150 Å²	150	57.9 Å²	57.9	69%	0.694	27%	0.27	S	S	*	.	H	α-helix	trans	-64.3	-25.9	178	-171.6	75.9	0	0	0	113.2	M90 I91 L92	M90-H94 PolarHBondContact O-N 3.36Å; I91-H94 WeakPolarHBondContact O-CB 3.48Å; I91-H94 PolarHBondContact O-N 2.93Å; L92-H94 PolarHBondContact O-N 3.47Å
95	F	85.6	Confident	89	Confident	124 Å²	124	57.6 Å²	57.6	54%	0.544	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-12	-178.7	-63	-73	0	0	0	113.7	I91 L92 S93	I91-F95 HydrophobicContact CG2-CE2 3.98Å; I91-F95 WeakPolarHBondContact O-CD2 3.27Å; I91-F95 VanDerWaalsContact O-CE2 3.27Å; I91-F95 WeakPolarHBondContact O-CE2 3.33Å; L92-F95 PolarHBondContact O-N 3.43Å; L92-F95 VanDerWaalsContact O-N 3.08Å; S93-F95 PolarHBondContact O-N 2.84Å
96	F	89.8	Confident	89.3	Confident	10 Å²	10	57.3 Å²	57.3	4%	0.044	27%	0.265	C	S	.	.			trans	-88.8	126.7	-176.1	-58.9	-38.9	0	0	0	111.5	L92 S93 I101 Y156 L157 Y160 L188	L92-F96 HydrophobicContact CB-CE2 4.06Å; L92-F96 HydrophobicContact CB-CZ 4.2Å; L92-F96 WeakPolarHBondContact O-CD2 3.34Å; L92-F96 WeakPolarHBondContact O-CE2 3.4Å; S93-F96 PolarHBondContact O-N 2.97Å; F96-I101 HydrophobicContact CB-CG2 4.08Å; F96-I101 HydrophobicContact CD2-CG2 4.36Å; F96-Y156 HydrophobicContact CB-CE1 3.89Å; F96-Y156 AromaticContact CD1-CE1 3.75Å; F96-Y156 HydrophobicContact CD1-CE1 3.75Å; F96-Y156 HydrophobicContact CG-CE1 4.11Å; F96-L157 HydrophobicContact CD1-CD2 4.24Å; F96-L157 HydrophobicContact CD2-CD2 4.06Å; F96-L157 HydrophobicContact CE1-CD2 3.98Å; F96-L157 HydrophobicContact CE2-CD2 3.82Å; F96-L157 HydrophobicContact CG-CD2 4.29Å; F96-L157 HydrophobicContact CZ-CD2 3.76Å; F96-Y160 HydrophobicContact CE1-CD1 4.41Å; F96-Y160 HydrophobicContact CE1-CG 4.29Å; F96-L188 HydrophobicContact CD2-CD1 4.5Å; F96-L188 HydrophobicContact CE2-CD1 3.5Å; F96-L188 HydrophobicContact CZ-CD1 4.14Å
97	R	91.1	Very high	89.5	Confident	188 Å²	188	59.3 Å²	59.3	71%	0.709	28%	0.278	S	S	*	.			trans	-132.2	93.2	173.4	-63.2	-168.9	-175.5	-170.3	-0	108.9	W21 Y156	W21-R97 WeakPolarHBondContact CZ3-O 3.48Å; R97-Y156 PolarHBondContact N-OH 2.84Å
98	H	94.1	Very high	89.8	Confident	14 Å²	14	54.4 Å²	54.4	7%	0.065	26%	0.255	C	S	.	.			trans	-155.7	136.3	178	-173.4	-93.3	0	0	0	110	N100 I101 Y156	H98-N100 PolarHBondContact CE1-OD1 3.46Å; H98-N100 PolarHBondContact ND1-N 3.38Å; H98-N100 VanDerWaalsContact ND1-N 3.13Å; H98-N100 PolarHBondContact O-N 2.86Å; H98-N100 VanDerWaalsContact O-N 3.15Å; H98-I101 HydrophobicContact CB-CB 4.35Å; H98-I101 HydrophobicContact CB-CG1 4.14Å; H98-I101 PolarHBondContact O-N 3.2Å; H98-I101 VanDerWaalsContact O-O 3.14Å; H98-Y156 HydrophobicContact CB-CD1 3.72Å; H98-Y156 HydrophobicContact CB-CD2 3.92Å; H98-Y156 HydrophobicContact CB-CE1 3.93Å; H98-Y156 HydrophobicContact CB-CE2 4.11Å; H98-Y156 HydrophobicContact CB-CG 3.71Å; H98-Y156 AromaticContact CD2-CD2 3.84Å; H98-Y156 AromaticContact CD2-CG 3.93Å; H98-Y156 AromaticContact CG-CG 3.81Å
99	P	94.3	Very high	90.1	Very high	38 Å²	38	52.3 Å²	52.3	25%	0.247	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.9	-175.1	22.9	-35.5	0	0	0	113.2	W21 L179 T181	W21-P99 HydrophobicContact CZ2-CG 4.01Å; P99-L179 HydrophobicContact CB-CD1 4.04Å; P99-L179 HydrophobicContact CB-CD2 4.28Å; P99-T181 PolarHBondContact O-OG1 3.07Å
100	N	96.8	Very high	90.5	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	14.7	178.2	-48.2	107.6	0	0	0	114.3	H98 G149 R152 V180 L182	H98-N100 PolarHBondContact CE1-OD1 3.46Å; H98-N100 PolarHBondContact ND1-N 3.38Å; H98-N100 VanDerWaalsContact ND1-N 3.13Å; H98-N100 PolarHBondContact O-N 2.86Å; H98-N100 VanDerWaalsContact O-N 3.15Å; N100-G149 WeakPolarHBondContact CB-O 3.26Å; N100-G149 WeakPolarHBondContact ND2-CA 3.32Å; N100-R152 WeakPolarHBondContact OD1-CB 3.26Å; N100-V180 WeakPolarHBondContact CA-O 3.44Å; N100-V180 PolarHBondContact ND2-O 3.02Å; N100-L182 PolarHBondContact O-N 3.43Å
101	I	95.6	Very high	90.7	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-120.5	135.7	169.9	-62.6	-58.9	0	0	0	109.4	F96 H98 T103 G153 Y156 L157 L182 L185	F96-I101 HydrophobicContact CB-CG2 4.08Å; F96-I101 HydrophobicContact CD2-CG2 4.36Å; H98-I101 HydrophobicContact CB-CB 4.35Å; H98-I101 HydrophobicContact CB-CG1 4.14Å; H98-I101 PolarHBondContact O-N 3.2Å; H98-I101 VanDerWaalsContact O-O 3.14Å; I101-T103 PolarHBondContact O-N 2.82Å; I101-G153 WeakPolarHBondContact CD1-O 3.17Å; I101-Y156 HydrophobicContact CG1-CD1 4.02Å; I101-L157 HydrophobicContact CD1-CD1 3.81Å; I101-L157 HydrophobicContact CD1-CD2 4.22Å; I101-L157 HydrophobicContact CD1-CG 3.81Å; I101-L157 HydrophobicContact CG1-CG 4.45Å; I101-L182 HydrophobicContact CD1-CB 3.93Å; I101-L182 HydrophobicContact CD1-CD1 4.11Å; I101-L185 HydrophobicContact CG2-CD1 4.08Å; I101-L185 HydrophobicContact CG2-CD2 4.39Å
102	T	91.6	Very high	90.8	Very high	4 Å²	4	53.9 Å²	53.9	3%	0.025	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-62.4	122.4	-177.4	-60.2	0	0	0	0	109.4	Y104 T181 L182 S183	T102-Y104 HydrophobicContact CG2-CD1 4.18Å; T102-Y104 HydrophobicContact CG2-CE1 3.83Å; T102-T181 VanDerWaalsContact CA-CG2 3.42Å; T102-L182 WeakPolarHBondContact CB-O 3.26Å; T102-L182 PolarHBondContact N-O 3.17Å; T102-L182 PolarHBondContact OG1-O 3.29Å; T102-S183 VanDerWaalsContact OG1-CA 3.3Å; T102-S183 WeakPolarHBondContact OG1-CA 3.39Å; T102-S183 VanDerWaalsContact OG1-CB 3.31Å; T102-S183 WeakPolarHBondContact OG1-CB 3.45Å
103	T	86.6	Confident	91.2	Very high	61 Å²	61	54.6 Å²	54.6	37%	0.374	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-95.8	135.7	176.4	-55.3	0	0	0	0	109.4	I101 S118 P119	I101-T103 PolarHBondContact O-N 2.82Å; T103-S118 WeakPolarHBondContact O-CB 3.42Å; T103-P119 WeakPolarHBondContact O-CD 3.36Å
104	Y	90.3	Very high	91.7	Very high	38 Å²	38	55 Å²	55	15%	0.149	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-95.5	119.9	170.9	-55	-28.8	0	0	0	108.5	M90 S93 T102 V107 V116 I117	M90-Y104 HydrophobicContact CE-CD2 4.3Å; M90-Y104 HydrophobicContact CE-CE2 3.53Å; M90-Y104 HydrophobicContact SD-CD2 4.12Å; M90-Y104 HydrophobicContact SD-CE2 3.95Å; S93-Y104 VanDerWaalsContact CB-CE2 3.42Å; S93-Y104 WeakPolarHBondContact OG-CD2 3.49Å; S93-Y104 WeakPolarHBondContact OG-CE2 3.11Å; T102-Y104 HydrophobicContact CG2-CD1 4.18Å; T102-Y104 HydrophobicContact CG2-CE1 3.83Å; Y104-V107 HydrophobicContact CD2-CG2 4.29Å; Y104-V107 HydrophobicContact CG-CG2 4.49Å; Y104-V116 HydrophobicContact CD1-CG1 3.6Å; Y104-V116 HydrophobicContact CD2-CG1 3.95Å; Y104-V116 HydrophobicContact CE1-CG1 3.95Å; Y104-V116 HydrophobicContact CE2-CG1 4.27Å; Y104-V116 HydrophobicContact CG-CG1 3.62Å; Y104-I117 CarbonylContact C-O 3.59Å; Y104-I117 WeakPolarHBondContact CA-O 3.27Å
105	W	90.3	Very high	92.2	Very high	87 Å²	87	48.3 Å²	48.3	33%	0.33	26%	0.255	S	S	.	.	S	Bend	trans	-74.4	-40.1	179	-70.3	-12.7	0	0	0	111.4	V31 C33 T66 V68 I117 P119	V31-W105 HydrophobicContact CB-CH2 4.34Å; V31-W105 HydrophobicContact CB-CZ3 4.2Å; V31-W105 HydrophobicContact CG1-CZ3 4.22Å; V31-W105 HydrophobicContact CG2-CH2 4.46Å; C33-W105 HydrophobicContact CB-CB 4.22Å; C33-W105 VanDerWaalsContact SG-CE3 3.56Å; T66-W105 HydrophobicContact CG2-CH2 4.16Å; T66-W105 HydrophobicContact CG2-CZ3 4.19Å; V68-W105 HydrophobicContact CG1-CE3 4.02Å; V68-W105 HydrophobicContact CG1-CZ3 3.6Å; W105-I117 PolarHBondContact N-O 2.94Å; W105-P119 HydrophobicContact CD2-CG 4.35Å; W105-P119 HydrophobicContact CH2-CB 4.34Å; W105-P119 HydrophobicContact CH2-CG 4.39Å; W105-P119 HydrophobicContact CZ2-CB 3.91Å; W105-P119 HydrophobicContact CZ2-CG 3.55Å
106	T	91.4	Very high	92.6	Very high	24 Å²	24	42.7 Å²	42.7	15%	0.147	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	151.4	172.6	-167.9	0	0	0	0	111.3	C33 Y40 F108 I117	C33-T106 HydrophobicContact CB-CG2 3.75Å; C33-T106 WeakPolarHBondContact O-CB 3.36Å; Y40-T106 WeakPolarHBondContact OH-CG2 3.46Å; T106-F108 HydrophobicContact CG2-CD1 4.04Å; T106-F108 HydrophobicContact CG2-CE1 3.93Å; T106-I117 HydrophobicContact CG2-CB 3.57Å; T106-I117 HydrophobicContact CG2-CG1 3.37Å; T106-I117 HydrophobicContact CG2-CG2 4.33Å; T106-I117 PolarHBondContact N-O 2.76Å; T106-I117 PolarHBondContact O-N 2.81Å
107	V	92.7	Very high	92.9	Very high	59 Å²	59	42.2 Å²	42.2	36%	0.358	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	126.9	178.3	-178.6	0	0	0	0	107.8	M90 Y104 L114 W115 V116	M90-V107 HydrophobicContact CG-CG1 4.42Å; M90-V107 HydrophobicContact SD-CG1 3.99Å; M90-V107 HydrophobicContact SD-CG2 4.12Å; Y104-V107 HydrophobicContact CD2-CG2 4.29Å; Y104-V107 HydrophobicContact CG-CG2 4.49Å; V107-L114 HydrophobicContact CG1-CD1 3.73Å; V107-W115 VanDerWaalsContact CA-O 3.3Å; V107-W115 WeakPolarHBondContact CA-O 3.34Å; V107-V116 HydrophobicContact CG1-CG2 4.14Å; V107-V116 HydrophobicContact CG2-CG1 4.17Å; V107-V116 HydrophobicContact CG2-CG2 4.27Å
108	F	93.9	Very high	93	Very high	22 Å²	22	33.5 Å²	33.5	10%	0.096	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	169.6	-178.8	60.5	-85.6	0	0	0	111.4	A35 V37 Y40 T106 V110 W115 I117	A35-F108 HydrophobicContact CB-CB 3.73Å; A35-F108 HydrophobicContact CB-CD1 3.95Å; A35-F108 HydrophobicContact CB-CD2 4.42Å; A35-F108 HydrophobicContact CB-CG 3.79Å; V37-F108 HydrophobicContact CG2-CE2 3.81Å; Y40-F108 HydrophobicContact CD2-CZ 4.14Å; Y40-F108 AromaticContact CE2-CE1 3.92Å; Y40-F108 HydrophobicContact CE2-CE1 3.92Å; Y40-F108 AromaticContact CE2-CZ 3.81Å; Y40-F108 HydrophobicContact CE2-CZ 3.81Å; T106-F108 HydrophobicContact CG2-CD1 4.04Å; T106-F108 HydrophobicContact CG2-CE1 3.93Å; F108-V110 HydrophobicContact CD2-CG2 3.87Å; F108-V110 HydrophobicContact CE2-CG2 3.76Å; F108-W115 HydrophobicContact CD1-CB 4.2Å; F108-W115 HydrophobicContact CD2-CB 4.02Å; F108-W115 HydrophobicContact CD2-CG 4.37Å; F108-W115 HydrophobicContact CE1-CB 3.93Å; F108-W115 HydrophobicContact CE2-CB 3.72Å; F108-W115 HydrophobicContact CE2-CD2 4.04Å; F108-W115 HydrophobicContact CE2-CE3 4.27Å; F108-W115 AromaticContact CE2-CG 3.79Å; F108-W115 HydrophobicContact CE2-CG 3.79Å; F108-W115 HydrophobicContact CG-CB 4.25Å; F108-W115 HydrophobicContact CZ-CB 3.68Å; F108-W115 HydrophobicContact CZ-CD2 4.01Å; F108-W115 AromaticContact CZ-CE3 3.81Å; F108-W115 HydrophobicContact CZ-CE3 3.81Å; F108-W115 AromaticContact CZ-CG 3.98Å; F108-W115 HydrophobicContact CZ-CG 3.98Å; F108-W115 PolarHBondContact N-O 3.34Å; F108-W115 PolarHBondContact O-N 2.89Å; F108-I117 HydrophobicContact CE1-CD1 4.42Å; F108-I117 HydrophobicContact CE1-CG1 3.95Å
109	T	94	Very high	93	Very high	92 Å²	92	34.4 Å²	34.4	56%	0.564	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.7	-179.3	52.3	0	0	0	0	111.1	L75 W113 L114	L75-T109 HydrophobicContact CD1-CG2 4.35Å; T109-W113 CarbonylContact C-O 3.4Å; T109-W113 VanDerWaalsContact CA-O 3.28Å; T109-W113 WeakPolarHBondContact CA-O 3.35Å; T109-L114 HydrophobicContact CG2-CD1 4.06Å
110	V	93.1	Very high	93	Very high	59 Å²	59	34.1 Å²	34.1	36%	0.358	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	105.7	177.1	-179.7	0	0	0	0	106.9	V37 F108 S112 W113	V37-V110 HydrophobicContact CG2-CB 4.09Å; V37-V110 HydrophobicContact CG2-CG1 4.05Å; V37-V110 HydrophobicContact CG2-CG2 3.09Å; F108-V110 HydrophobicContact CD2-CG2 3.87Å; F108-V110 HydrophobicContact CE2-CG2 3.76Å; V110-S112 PolarHBondContact O-N 3.29Å; V110-W113 PolarHBondContact N-O 2.83Å; V110-W113 WeakPolarHBondContact O-CB 3.16Å; V110-W113 PolarHBondContact O-N 3.11Å
111	G	91.6	Very high	92.9	Very high	69 Å²	69	34.7 Å²	34.7	71%	0.711	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	-124.5	-165.4	0	0	0	0	0	110.3	W113	G111-W113 VanDerWaalsContact C-N 3.33Å; G111-W113 PolarHBondContact O-N 3.13Å
112	S	90.7	Very high	92.8	Very high	36 Å²	36	35.2 Å²	35.2	25%	0.252	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	10.8	180	-61.8	0	0	0	0	114.6	L75 E76 V110	L75-S112 VanDerWaalsContact CB-O 3.24Å; L75-S112 WeakPolarHBondContact CB-O 3.35Å; L75-S112 WeakPolarHBondContact CG-O 3.48Å; L75-S112 PolarHBondContact N-O 3.35Å; E76-S112 VanDerWaalsContact CD-OG 3.31Å; E76-S112 VanDerWaalsContact OE1-CB 3.3Å; E76-S112 WeakPolarHBondContact OE1-CB 3.34Å; E76-S112 PolarHBondContact OE1-OG 3.37Å; V110-S112 PolarHBondContact O-N 3.29Å
113	W	92.8	Very high	92.9	Very high	57 Å²	57	36.3 Å²	36.3	22%	0.216	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.6	-176.4	-57.9	91	0	0	0	111.3	I72 T73 N74 T109 V110 G111 P325	I72-W113 HydrophobicContact CG2-CB 4.28Å; I72-W113 HydrophobicContact CG2-CD2 4.37Å; I72-W113 HydrophobicContact CG2-CE3 3.69Å; I72-W113 HydrophobicContact CG2-CZ3 4.36Å; T73-W113 WeakPolarHBondContact O-CA 3.38Å; N74-W113 HydrophobicContact CB-CD2 4.48Å; N74-W113 HydrophobicContact CB-CE3 3.76Å; N74-W113 HydrophobicContact CB-CH2 3.87Å; N74-W113 HydrophobicContact CB-CZ3 3.46Å; N74-W113 VanDerWaalsContact CB-CZ3 3.46Å; N74-W113 WeakPolarHBondContact ND2-CH2 3.39Å; T109-W113 CarbonylContact C-O 3.4Å; T109-W113 VanDerWaalsContact CA-O 3.28Å; T109-W113 WeakPolarHBondContact CA-O 3.35Å; V110-W113 PolarHBondContact N-O 2.83Å; V110-W113 WeakPolarHBondContact O-CB 3.16Å; V110-W113 PolarHBondContact O-N 3.11Å; G111-W113 VanDerWaalsContact C-N 3.33Å; G111-W113 PolarHBondContact O-N 3.13Å; W113-P325 HydrophobicContact CH2-CG 3.86Å; W113-P325 HydrophobicContact CZ2-CG 3.87Å
114	L	93.9	Very high	93.3	Very high	18 Å²	18	34.3 Å²	34.3	9%	0.094	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	126	170.8	174.4	68.8	0	0	0	109.8	I72 T73 L75 V107 T109 V116	I72-L114 CarbonylContact C-O 3.54Å; I72-L114 WeakPolarHBondContact CA-O 3.49Å; T73-L114 PolarHBondContact N-O 3.47Å; T73-L114 PolarHBondContact O-N 2.85Å; L75-L114 HydrophobicContact CD1-CB 4.19Å; L75-L114 HydrophobicContact CD2-CB 3.87Å; L75-L114 HydrophobicContact CD2-CD2 4.47Å; L75-L114 HydrophobicContact CG-CB 4.11Å; V107-L114 HydrophobicContact CG1-CD1 3.73Å; T109-L114 HydrophobicContact CG2-CD1 4.06Å; L114-V116 HydrophobicContact CD2-CG2 4.41Å; L114-V116 HydrophobicContact CG-CG2 4.25Å
115	W	95.7	Very high	93.5	Very high	9 Å²	9	32.7 Å²	32.7	3%	0.034	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.6	177	-73.6	61.6	0	0	0	110	V37 Y40 T70 K71 I72 V107 F108 I117 W322	V37-W115 HydrophobicContact CG1-CH2 3.68Å; V37-W115 HydrophobicContact CG1-CZ2 3.89Å; V37-W115 HydrophobicContact CG1-CZ3 4.4Å; V37-W115 HydrophobicContact CG2-CH2 4.43Å; V37-W115 HydrophobicContact CG2-CZ2 4.19Å; Y40-W115 HydrophobicContact CD2-CZ3 4.49Å; T70-W115 HydrophobicContact CG2-CD2 4.33Å; T70-W115 HydrophobicContact CG2-CE3 3.42Å; T70-W115 VanDerWaalsContact CG2-CE3 3.42Å; T70-W115 HydrophobicContact CG2-CZ3 3.55Å; K71-W115 CarbonylContact O-C 3.55Å; K71-W115 WeakPolarHBondContact O-CA 3.24Å; I72-W115 HydrophobicContact CD1-CD2 4.3Å; I72-W115 HydrophobicContact CD1-CE3 4.37Å; I72-W115 HydrophobicContact CD1-CH2 3.87Å; I72-W115 HydrophobicContact CD1-CZ2 3.76Å; I72-W115 HydrophobicContact CD1-CZ3 4.17Å; I72-W115 HydrophobicContact CG1-CD2 4.09Å; I72-W115 HydrophobicContact CG1-CE3 4.36Å; I72-W115 HydrophobicContact CG1-CZ2 4.38Å; V107-W115 VanDerWaalsContact CA-O 3.3Å; V107-W115 WeakPolarHBondContact CA-O 3.34Å; F108-W115 HydrophobicContact CD1-CB 4.2Å; F108-W115 HydrophobicContact CD2-CB 4.02Å; F108-W115 HydrophobicContact CD2-CG 4.37Å; F108-W115 HydrophobicContact CE1-CB 3.93Å; F108-W115 HydrophobicContact CE2-CB 3.72Å; F108-W115 HydrophobicContact CE2-CD2 4.04Å; F108-W115 HydrophobicContact CE2-CE3 4.27Å; F108-W115 AromaticContact CE2-CG 3.79Å; F108-W115 HydrophobicContact CE2-CG 3.79Å; F108-W115 HydrophobicContact CG-CB 4.25Å; F108-W115 HydrophobicContact CZ-CB 3.68Å; F108-W115 HydrophobicContact CZ-CD2 4.01Å; F108-W115 AromaticContact CZ-CE3 3.81Å; F108-W115 HydrophobicContact CZ-CE3 3.81Å; F108-W115 AromaticContact CZ-CG 3.98Å; F108-W115 HydrophobicContact CZ-CG 3.98Å; F108-W115 PolarHBondContact N-O 3.34Å; F108-W115 PolarHBondContact O-N 2.89Å; W115-I117 HydrophobicContact CE3-CD1 4.29Å; W115-W322 HydrophobicContact CH2-CD2 4.32Å; W115-W322 AromaticContact CH2-CE2 3.42Å; W115-W322 VanDerWaalsContact CH2-CE2 3.42Å; W115-W322 HydrophobicContact CH2-CH2 4.31Å; W115-W322 AromaticContact CH2-CZ2 3.28Å; W115-W322 HydrophobicContact CH2-CZ2 3.28Å; W115-W322 AromaticContact CH2-NE1 3.48Å; W115-W322 HydrophobicContact CZ2-CD2 4.34Å; W115-W322 AromaticContact CZ2-CE2 3.81Å; W115-W322 HydrophobicContact CZ2-CH2 4.23Å; W115-W322 AromaticContact CZ2-CZ2 3.59Å; W115-W322 HydrophobicContact CZ2-CZ2 3.59Å; W115-W322 HydrophobicContact CZ3-CZ2 4.29Å
116	V	94.2	Very high	93.8	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.03	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.4	173.8	179.6	0	0	0	0	108.6	K71 M90 Y104 V107 L114	K71-V116 HydrophobicContact CB-CB 4.21Å; K71-V116 PolarHBondContact N-O 2.92Å; K71-V116 PolarHBondContact O-N 3.39Å; M90-V116 HydrophobicContact CE-CG2 4.32Å; M90-V116 HydrophobicContact SD-CG2 3.72Å; Y104-V116 HydrophobicContact CD1-CG1 3.6Å; Y104-V116 HydrophobicContact CD2-CG1 3.95Å; Y104-V116 HydrophobicContact CE1-CG1 3.95Å; Y104-V116 HydrophobicContact CE2-CG1 4.27Å; Y104-V116 HydrophobicContact CG-CG1 3.62Å; V107-V116 HydrophobicContact CG1-CG2 4.14Å; V107-V116 HydrophobicContact CG2-CG1 4.17Å; V107-V116 HydrophobicContact CG2-CG2 4.27Å; L114-V116 HydrophobicContact CD2-CG2 4.41Å; L114-V116 HydrophobicContact CG-CG2 4.25Å
117	I	95.3	Very high	94	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.1	-178.9	-50	-59.1	0	0	0	109.3	C33 Y40 V68 T69 T70 Y104 W105 T106 F108 W115	C33-I117 HydrophobicContact CB-CG2 4.43Å; Y40-I117 HydrophobicContact CD1-CD1 3.96Å; Y40-I117 HydrophobicContact CD1-CG1 4.49Å; Y40-I117 HydrophobicContact CE1-CB 4.47Å; Y40-I117 HydrophobicContact CE1-CD1 3.84Å; Y40-I117 HydrophobicContact CE1-CG1 3.86Å; Y40-I117 HydrophobicContact CE1-CG2 3.82Å; Y40-I117 HydrophobicContact CE2-CD1 4.43Å; Y40-I117 HydrophobicContact CE2-CG1 4.41Å; Y40-I117 HydrophobicContact CG-CD1 4.32Å; V68-I117 HydrophobicContact CB-CG2 4.02Å; V68-I117 HydrophobicContact CG1-CG2 4.31Å; V68-I117 HydrophobicContact CG2-CG2 4.1Å; T69-I117 WeakPolarHBondContact O-CA 3.37Å; T70-I117 HydrophobicContact CG2-CD1 3.65Å; T70-I117 WeakPolarHBondContact OG1-CD1 3.17Å; Y104-I117 CarbonylContact C-O 3.59Å; Y104-I117 WeakPolarHBondContact CA-O 3.27Å; W105-I117 PolarHBondContact N-O 2.94Å; T106-I117 HydrophobicContact CG2-CB 3.57Å; T106-I117 HydrophobicContact CG2-CG1 3.37Å; T106-I117 HydrophobicContact CG2-CG2 4.33Å; T106-I117 PolarHBondContact N-O 2.76Å; T106-I117 PolarHBondContact O-N 2.81Å; F108-I117 HydrophobicContact CE1-CD1 4.42Å; F108-I117 HydrophobicContact CE1-CG1 3.95Å; W115-I117 HydrophobicContact CE3-CD1 4.29Å
118	S	94	Very high	94	Very high	5 Å²	5	28.8 Å²	28.8	4%	0.035	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	166.7	178.1	69.4	0	0	0	0	111	T69 T103	T69-S118 PolarHBondContact N-O 3.26Å; T69-S118 PolarHBondContact O-N 3.08Å; T103-S118 WeakPolarHBondContact O-CB 3.42Å
119	P	93.7	Very high	94	Very high	33 Å²	33	28 Å²	28	21%	0.214	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	146.8	171.8	-20.7	25.9	0	0	0	112.4	T69 T103 W105 M121	T69-P119 PolarHBondContact OG1-O 3.15Å; T69-P119 VanDerWaalsContact OG1-O 3.08Å; T103-P119 WeakPolarHBondContact O-CD 3.36Å; W105-P119 HydrophobicContact CD2-CG 4.35Å; W105-P119 HydrophobicContact CH2-CB 4.34Å; W105-P119 HydrophobicContact CH2-CG 4.39Å; W105-P119 HydrophobicContact CZ2-CB 3.91Å; W105-P119 HydrophobicContact CZ2-CG 3.55Å; P119-M121 HydrophobicContact CB-CE 4.46Å
120	F	94.3	Very high	94	Very high	33 Å²	33	23.6 Å²	23.6	15%	0.145	14%	0.143	C	C	.	.			trans	-76.7	126.7	170.7	177.9	-125.1	0	0	0	111	I46 L58 L67 A122 Y309	I46-F120 HydrophobicContact CD1-CE2 4.22Å; L58-F120 HydrophobicContact CD1-CB 4.43Å; L58-F120 HydrophobicContact CD1-CD1 4.02Å; L58-F120 HydrophobicContact CD1-CD2 3.64Å; L58-F120 HydrophobicContact CD1-CE1 4.15Å; L58-F120 HydrophobicContact CD1-CE2 3.81Å; L58-F120 HydrophobicContact CD1-CG 3.76Å; L58-F120 HydrophobicContact CD1-CZ 4.06Å; L58-F120 HydrophobicContact CD2-CZ 4.43Å; L67-F120 HydrophobicContact CB-CB 4.09Å; L67-F120 HydrophobicContact CB-CD1 4.12Å; L67-F120 HydrophobicContact CB-CG 4.37Å; L67-F120 HydrophobicContact CD1-CD1 4.23Å; L67-F120 HydrophobicContact CD1-CE1 4.5Å; L67-F120 WeakPolarHBondContact O-CB 2.94Å; F120-A122 HydrophobicContact CD1-CB 4.19Å; F120-A122 HydrophobicContact CE1-CB 3.82Å; F120-A122 HydrophobicContact CZ-CB 4.49Å; F120-A122 PolarHBondContact O-N 2.93Å; F120-Y309 HydrophobicContact CZ-CD1 4.16Å
121	M	94.6	Very high	93.9	Very high	16 Å²	16	26 Å²	26	8%	0.079	15%	0.146	C	C	.	.			trans	-96.9	90.7	178.7	-60.1	-66.3	-178.8	0	0	108.3	P119 Y123 G124 L173 I174 T181	P119-M121 HydrophobicContact CB-CE 4.46Å; M121-Y123 PolarHBondContact O-N 3.38Å; M121-Y123 VanDerWaalsContact O-N 3.1Å; M121-G124 WeakPolarHBondContact O-CA 3.45Å; M121-G124 PolarHBondContact O-N 2.85Å; M121-L173 HydrophobicContact CB-CB 4.02Å; M121-L173 HydrophobicContact CG-CB 3.71Å; M121-L173 HydrophobicContact CG-CD1 3.86Å; M121-L173 HydrophobicContact CG-CG 4.38Å; M121-L173 HydrophobicContact SD-CB 4.2Å; M121-I174 CarbonylContact C-O 3.47Å; M121-I174 VanDerWaalsContact C-O 3.26Å; M121-I174 WeakPolarHBondContact CA-O 3.4Å; M121-I174 WeakPolarHBondContact CB-O 3.09Å; M121-T181 HydrophobicContact CE-CG2 4.17Å
122	A	93.4	Very high	94	Very high	12 Å²	12	26 Å²	26	10%	0.099	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.4	-167.1	0	0	0	0	0	115.1	F120 I174 A308 Y309	F120-A122 HydrophobicContact CD1-CB 4.19Å; F120-A122 HydrophobicContact CE1-CB 3.82Å; F120-A122 HydrophobicContact CZ-CB 4.49Å; F120-A122 PolarHBondContact O-N 2.93Å; A122-I174 PolarHBondContact N-O 2.94Å; A122-A308 HydrophobicContact CB-CB 4.15Å; A122-Y309 WeakPolarHBondContact O-CB 3.32Å; A122-Y309 PolarHBondContact O-N 2.96Å
123	Y	94.2	Very high	94.1	Very high	28 Å²	28	30.1 Å²	30.1	11%	0.11	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.2	173.5	-74	-76	0	0	0	113.4	M121 L129 I174 S175 L302 L305 P306 A308	M121-Y123 PolarHBondContact O-N 3.38Å; M121-Y123 VanDerWaalsContact O-N 3.1Å; Y123-L129 HydrophobicContact CD1-CD2 4.3Å; Y123-I174 WeakPolarHBondContact CB-O 3.46Å; Y123-I174 HydrophobicContact CD2-CG2 3.85Å; Y123-I174 HydrophobicContact CG-CG2 4.15Å; Y123-I174 PolarHBondContact N-O 2.98Å; Y123-I174 VanDerWaalsContact N-O 3.08Å; Y123-S175 VanDerWaalsContact CD2-O 3.24Å; Y123-S175 WeakPolarHBondContact CD2-O 3.12Å; Y123-L302 HydrophobicContact CE2-CD2 3.79Å; Y123-L305 HydrophobicContact CD1-CB 4.13Å; Y123-L305 HydrophobicContact CD1-CD1 3.98Å; Y123-L305 HydrophobicContact CD1-CG 4.46Å; Y123-L305 HydrophobicContact CD2-CD1 3.9Å; Y123-L305 HydrophobicContact CE1-CB 3.55Å; Y123-L305 HydrophobicContact CE1-CD1 3.93Å; Y123-L305 HydrophobicContact CE1-CG 4.28Å; Y123-L305 HydrophobicContact CE2-CD1 3.84Å; Y123-L305 HydrophobicContact CG-CD1 3.95Å; Y123-P306 WeakPolarHBondContact CE1-O 3.45Å; Y123-P306 PolarHBondContact OH-O 3.01Å; Y123-A308 HydrophobicContact CD1-CB 4.41Å; Y123-A308 HydrophobicContact CD2-CB 4.37Å; Y123-A308 HydrophobicContact CE1-CB 3.87Å; Y123-A308 HydrophobicContact CE2-CB 3.86Å
124	G	94.3	Very high	94.1	Very high	19 Å²	19	29.5 Å²	29.5	20%	0.196	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.3	-142.9	-175.6	0	0	0	0	0	112	M121 L173 I174	M121-G124 WeakPolarHBondContact O-CA 3.45Å; M121-G124 PolarHBondContact O-N 2.85Å; G124-L173 WeakPolarHBondContact O-CA 3.38Å; G124-I174 PolarHBondContact O-N 2.8Å
125	S	96.1	Very high	94	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	156.3	177.8	64.8	0	0	0	0	112	R127 Q128 L129 S170 I172 F339	S125-R127 PolarHBondContact O-N 3.44Å; S125-Q128 WeakPolarHBondContact O-CB 3.38Å; S125-Q128 PolarHBondContact O-N 2.73Å; S125-Q128 PolarHBondContact OG-N 2.98Å; S125-Q128 VanDerWaalsContact OG-N 3.13Å; S125-L129 PolarHBondContact O-N 2.8Å; S125-S170 WeakPolarHBondContact CB-O 3.47Å; S125-I172 CarbonylContact C-O 3.57Å; S125-I172 VanDerWaalsContact CA-O 3.26Å; S125-I172 WeakPolarHBondContact CA-O 3.44Å; S125-F339 VanDerWaalsContact OG-CE1 3.26Å; S125-F339 WeakPolarHBondContact OG-CE1 3.38Å
126	A	96.9	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.1	-32	171.8	0	0	0	0	0	111.6	L129 L130 M138 I146 A169 I172 L243	A126-L129 PolarHBondContact O-N 2.9Å; A126-L130 VanDerWaalsContact O-CB 3.29Å; A126-L130 WeakPolarHBondContact O-CB 3.49Å; A126-L130 PolarHBondContact O-N 3.12Å; A126-M138 WeakPolarHBondContact O-CE 3.24Å; A126-I146 HydrophobicContact CB-CD1 4.38Å; A126-I146 HydrophobicContact CB-CG2 4.3Å; A126-A169 HydrophobicContact CB-CB 4.17Å; A126-A169 WeakPolarHBondContact CB-O 3.13Å; A126-A169 PolarHBondContact N-O 3.02Å; A126-I172 HydrophobicContact CB-CB 4.26Å; A126-I172 PolarHBondContact N-O 2.94Å; A126-L243 HydrophobicContact CB-CD2 3.82Å
127	R	94.8	Very high	93.5	Very high	39 Å²	39	39.9 Å²	39.9	15%	0.147	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-41.6	171.9	-177.1	68	174.7	176.9	9.1	112.6	S125 L130 R131 A169 E242	S125-R127 PolarHBondContact O-N 3.44Å; R127-L130 WeakPolarHBondContact O-CB 3.34Å; R127-L130 PolarHBondContact O-N 3.29Å; R127-R131 WeakPolarHBondContact O-CG 3.3Å; R127-R131 PolarHBondContact O-N 3.25Å; R127-A169 HydrophobicContact CB-CB 4.06Å; R127-A169 PolarHBondContact N-O 2.97Å; R127-A169 VanDerWaalsContact N-O 3.11Å; R127-E242 WeakPolarHBondContact CD-OE1 3.4Å; R127-E242 IonicContact CZ-OE1 3.06Å; R127-E242 IonicContact NE-OE1 2.65Å; R127-E242 IonicContact NH1-OE1 3.32Å; R127-E242 PolarHBondContact NH1-OE1 3.2Å
128	Q	93	Very high	93.4	Very high	50 Å²	50	40.5 Å²	40.5	23%	0.234	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-45.1	177.4	-174.9	61.9	30.7	0	0	110.9	S125 L130 R131 T132 F339	S125-Q128 WeakPolarHBondContact O-CB 3.38Å; S125-Q128 PolarHBondContact O-N 2.73Å; S125-Q128 PolarHBondContact OG-N 2.98Å; S125-Q128 VanDerWaalsContact OG-N 3.13Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.39Å; Q128-R131 PolarHBondContact O-N 2.98Å; Q128-T132 PolarHBondContact NE2-OG1 2.98Å; Q128-T132 VanDerWaalsContact O-CB 3.32Å; Q128-T132 WeakPolarHBondContact O-CB 3.43Å; Q128-T132 PolarHBondContact O-N 3.46Å; Q128-T132 PolarHBondContact O-OG1 2.79Å; Q128-F339 HydrophobicContact CB-CE1 4.41Å; Q128-F339 HydrophobicContact CB-CZ 4.37Å
129	L	94.4	Very high	93.3	Very high	4 Å²	4	43 Å²	43	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-59.9	-45.5	175.2	-70.5	174	0	0	0	111.6	Y123 S125 A126 R131 T132 Y133 F134 M138 I174 L305 P306	Y123-L129 HydrophobicContact CD1-CD2 4.3Å; S125-L129 PolarHBondContact O-N 2.8Å; A126-L129 PolarHBondContact O-N 2.9Å; L129-R131 PolarHBondContact O-N 3.12Å; L129-T132 PolarHBondContact O-N 2.82Å; L129-Y133 HydrophobicContact CD2-CD2 3.99Å; L129-Y133 HydrophobicContact CD2-CE2 4.3Å; L129-Y133 PolarHBondContact O-N 2.86Å; L129-F134 HydrophobicContact CB-CD2 4.37Å; L129-F134 PolarHBondContact O-N 2.87Å; L129-M138 HydrophobicContact CB-CE 3.74Å; L129-I174 HydrophobicContact CD1-CD1 3.51Å; L129-L305 HydrophobicContact CD1-CD2 3.64Å; L129-L305 HydrophobicContact CD2-CD2 4.47Å; L129-P306 HydrophobicContact CD2-CG 3.98Å
130	L	92.8	Very high	93.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-55.5	-51.7	177.5	-162	70.8	0	0	0	111	A126 R127 Q128 T132 F134 P135 M138 E242 G246	A126-L130 VanDerWaalsContact O-CB 3.29Å; A126-L130 WeakPolarHBondContact O-CB 3.49Å; A126-L130 PolarHBondContact O-N 3.12Å; R127-L130 WeakPolarHBondContact O-CB 3.34Å; R127-L130 PolarHBondContact O-N 3.29Å; Q128-L130 VanDerWaalsContact C-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.39Å; L130-T132 PolarHBondContact O-N 2.91Å; L130-F134 HydrophobicContact CD1-CB 4.37Å; L130-F134 WeakPolarHBondContact CD1-O 3.47Å; L130-F134 CarbonylContact O-C 3.59Å; L130-F134 WeakPolarHBondContact O-CA 3.46Å; L130-F134 PolarHBondContact O-N 2.88Å; L130-F134 VanDerWaalsContact O-N 3.15Å; L130-P135 WeakPolarHBondContact O-CA 3.42Å; L130-P135 VanDerWaalsContact O-N 3.13Å; L130-M138 HydrophobicContact CB-CE 4.08Å; L130-M138 HydrophobicContact CD1-CE 4.06Å; L130-M138 HydrophobicContact CD1-CG 4.02Å; L130-E242 HydrophobicContact CD2-CG 3.96Å; L130-E242 WeakPolarHBondContact CD2-O 3.26Å; L130-G246 VanDerWaalsContact CD2-O 3.3Å; L130-G246 WeakPolarHBondContact CD2-O 3.34Å
131	R	91.7	Very high	92.9	Very high	110 Å²	110	44.3 Å²	44.3	42%	0.415	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-35.6	-179.8	-75.3	180	165.5	-178.7	-5.6	114.2	R127 Q128 L129 Y336	R127-R131 WeakPolarHBondContact O-CG 3.3Å; R127-R131 PolarHBondContact O-N 3.25Å; Q128-R131 PolarHBondContact O-N 2.98Å; L129-R131 PolarHBondContact O-N 3.12Å; R131-Y336 PolarHBondContact NH1-O 3.26Å
132	T	92.4	Very high	92.9	Very high	67 Å²	67	43.5 Å²	43.5	41%	0.411	22%	0.224	S	C	.	.	H	α-helix	trans	-90.7	-37.9	-169.4	-48	0	0	0	0	112.2	Q128 L129 L130	Q128-T132 PolarHBondContact NE2-OG1 2.98Å; Q128-T132 VanDerWaalsContact O-CB 3.32Å; Q128-T132 WeakPolarHBondContact O-CB 3.43Å; Q128-T132 PolarHBondContact O-N 3.46Å; Q128-T132 PolarHBondContact O-OG1 2.79Å; L129-T132 PolarHBondContact O-N 2.82Å; L130-T132 PolarHBondContact O-N 2.91Å
133	Y	93.5	Very high	92.9	Very high	123 Å²	123	43.1 Å²	43.1	48%	0.482	22%	0.22	S	C	.	.	H	α-helix	trans	-125.8	-22.2	-168.6	-58.8	-78.1	0	0	0	113.8	L129 P135 P306	L129-Y133 HydrophobicContact CD2-CD2 3.99Å; L129-Y133 HydrophobicContact CD2-CE2 4.3Å; L129-Y133 PolarHBondContact O-N 2.86Å; Y133-P135 VanDerWaalsContact C-CD 3.45Å; Y133-P306 HydrophobicContact CD1-CB 3.81Å; Y133-P306 HydrophobicContact CD1-CG 4.02Å; Y133-P306 HydrophobicContact CD2-CB 4.28Å; Y133-P306 HydrophobicContact CD2-CG 3.58Å; Y133-P306 HydrophobicContact CE1-CB 3.7Å; Y133-P306 HydrophobicContact CE1-CG 4.06Å; Y133-P306 HydrophobicContact CE2-CB 4.18Å; Y133-P306 HydrophobicContact CE2-CG 3.63Å; Y133-P306 HydrophobicContact CG-CB 4.09Å; Y133-P306 HydrophobicContact CG-CG 3.78Å
134	F	93.4	Very high	92.9	Very high	45 Å²	45	41.9 Å²	41.9	20%	0.197	22%	0.215	C	C	.	.			trans	-131.5	55.5	-174.2	-54.1	-75.3	0	0	0	112.4	L129 L130 E136 G137 M138 L142	L129-F134 HydrophobicContact CB-CD2 4.37Å; L129-F134 PolarHBondContact O-N 2.87Å; L130-F134 HydrophobicContact CD1-CB 4.37Å; L130-F134 WeakPolarHBondContact CD1-O 3.47Å; L130-F134 CarbonylContact O-C 3.59Å; L130-F134 WeakPolarHBondContact O-CA 3.46Å; L130-F134 PolarHBondContact O-N 2.88Å; L130-F134 VanDerWaalsContact O-N 3.15Å; F134-E136 PolarHBondContact O-N 3.17Å; F134-G137 PolarHBondContact O-N 2.99Å; F134-M138 HydrophobicContact CB-CG 3.81Å; F134-M138 HydrophobicContact CD1-CG 4.46Å; F134-M138 HydrophobicContact CD2-CE 4.05Å; F134-M138 HydrophobicContact CD2-CG 3.91Å; F134-M138 HydrophobicContact CG-CG 3.82Å; F134-L142 HydrophobicContact CD2-CD2 4.47Å; F134-L142 HydrophobicContact CE1-CD2 4.45Å; F134-L142 HydrophobicContact CE2-CD2 3.84Å; F134-L142 HydrophobicContact CZ-CD2 3.82Å
135	P	90.6	Very high	92.9	Very high	81 Å²	81	41.3 Å²	41.3	53%	0.526	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.9	-173.8	25.4	-34.9	0	0	0	113.3	L130 Y133 G137 G246	L130-P135 WeakPolarHBondContact O-CA 3.42Å; L130-P135 VanDerWaalsContact O-N 3.13Å; Y133-P135 VanDerWaalsContact C-CD 3.45Å; P135-G137 VanDerWaalsContact C-N 3.33Å; P135-G246 WeakPolarHBondContact O-CA 3.37Å
136	E	88.3	Confident	92.9	Very high	152 Å²	152	41.2 Å²	41.2	71%	0.71	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	7.1	176.6	-56.7	-55.5	139	0	0	113.1	F134	F134-E136 PolarHBondContact O-N 3.17Å
137	G	91.4	Very high	92.8	Very high	17 Å²	17	41.3 Å²	41.3	18%	0.175	21%	0.207	C	C	.	.			trans	102.4	161.7	-175.4	0	0	0	0	0	114.5	F134 P135 L243	F134-G137 PolarHBondContact O-N 2.99Å; P135-G137 VanDerWaalsContact C-N 3.33Å; G137-L243 WeakPolarHBondContact CA-O 3.27Å
138	M	93	Very high	92.9	Very high	13 Å²	13	41.3 Å²	41.3	6%	0.064	21%	0.209	C	C	.	.			trans	-90.7	158.2	-177.7	-66.1	-179.6	-176	0	0	111.8	A126 L129 L130 F134 L142 I143 I146 L243	A126-M138 WeakPolarHBondContact O-CE 3.24Å; L129-M138 HydrophobicContact CB-CE 3.74Å; L130-M138 HydrophobicContact CB-CE 4.08Å; L130-M138 HydrophobicContact CD1-CE 4.06Å; L130-M138 HydrophobicContact CD1-CG 4.02Å; F134-M138 HydrophobicContact CB-CG 3.81Å; F134-M138 HydrophobicContact CD1-CG 4.46Å; F134-M138 HydrophobicContact CD2-CE 4.05Å; F134-M138 HydrophobicContact CD2-CG 3.91Å; F134-M138 HydrophobicContact CG-CG 3.82Å; M138-L142 HydrophobicContact CB-CB 4.48Å; M138-L142 HydrophobicContact CB-CD2 4.14Å; M138-L142 HydrophobicContact CB-CG 4.43Å; M138-L142 HydrophobicContact CG-CD2 4Å; M138-L142 HydrophobicContact SD-CD2 3.8Å; M138-L142 HydrophobicContact SD-CG 4.03Å; M138-I143 HydrophobicContact CB-CD1 4.2Å; M138-I143 HydrophobicContact CB-CG1 3.72Å; M138-I143 WeakPolarHBondContact O-CD1 3.44Å; M138-I146 HydrophobicContact CE-CD1 4.34Å; M138-I146 HydrophobicContact SD-CD1 3.58Å; M138-I146 VanDerWaalsContact SD-CD1 3.58Å; M138-L243 HydrophobicContact CE-CD2 4.12Å; M138-L243 PolarHBondContact N-O 3.16Å; M138-L243 HydrophobicContact SD-CD2 4.02Å
139	S	91.9	Very high	93	Very high	57 Å²	57	39.2 Å²	39.2	40%	0.399	20%	0.2	S	C	.	.			trans	-63.9	147.7	172	75.4	0	0	0	0	111.1	T141 L142 I143	S139-T141 PolarHBondContact O-N 2.73Å; S139-T141 VanDerWaalsContact O-N 3.15Å; S139-L142 PolarHBondContact O-N 3.21Å; S139-L142 PolarHBondContact OG-N 3.31Å; S139-I143 WeakPolarHBondContact O-CG1 3.37Å; S139-I143 PolarHBondContact O-N 3.27Å
140	K	90.1	Very high	93.1	Very high	44 Å²	44	39.2 Å²	39.2	19%	0.191	20%	0.201	C	C	.	.	H	α-helix	trans	-50	-41.1	176.8	178.5	-175.8	163.9	-164.5	0	112.9	I143 R144 L260 E262 F289	K140-I143 PolarHBondContact O-N 3.01Å; K140-R144 WeakPolarHBondContact O-CB 3.39Å; K140-R144 PolarHBondContact O-N 2.84Å; K140-L260 HydrophobicContact CB-CD1 3.89Å; K140-E262 WeakPolarHBondContact CE-OE2 3.3Å; K140-E262 IonicContact NZ-OE1 2.73Å; K140-E262 PolarHBondContact NZ-OE1 3.17Å; K140-E262 IonicContact NZ-OE2 3.24Å; K140-E262 PolarHBondContact NZ-OE2 3.2Å; K140-F289 HydrophobicContact CG-CE2 4.01Å
141	T	91.1	Very high	93.4	Very high	49 Å²	49	39.1 Å²	39.1	30%	0.301	20%	0.2	S	C	.	.	H	α-helix	trans	-66	-41.9	179.3	-51.1	0	0	0	0	111.7	S139 R144 N145 L304	S139-T141 PolarHBondContact O-N 2.73Å; S139-T141 VanDerWaalsContact O-N 3.15Å; T141-R144 WeakPolarHBondContact O-CB 3.44Å; T141-R144 PolarHBondContact O-N 3.2Å; T141-N145 PolarHBondContact O-N 2.73Å; T141-N145 VanDerWaalsContact O-N 3.17Å; T141-N145 PolarHBondContact O-ND2 3.33Å; T141-L304 HydrophobicContact CG2-CD1 3.6Å
142	L	93	Very high	93.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-44.8	176.4	-180	56.1	0	0	0	111.2	F134 M138 S139 R144 N145 I146 V301 L304 L305	F134-L142 HydrophobicContact CD2-CD2 4.47Å; F134-L142 HydrophobicContact CE1-CD2 4.45Å; F134-L142 HydrophobicContact CE2-CD2 3.84Å; F134-L142 HydrophobicContact CZ-CD2 3.82Å; M138-L142 HydrophobicContact CB-CB 4.48Å; M138-L142 HydrophobicContact CB-CD2 4.14Å; M138-L142 HydrophobicContact CB-CG 4.43Å; M138-L142 HydrophobicContact CG-CD2 4Å; M138-L142 HydrophobicContact SD-CD2 3.8Å; M138-L142 HydrophobicContact SD-CG 4.03Å; S139-L142 PolarHBondContact O-N 3.21Å; S139-L142 PolarHBondContact OG-N 3.31Å; L142-R144 VanDerWaalsContact C-N 3.28Å; L142-R144 PolarHBondContact O-N 3.38Å; L142-N145 PolarHBondContact O-N 2.8Å; L142-I146 HydrophobicContact CD1-CD1 3.94Å; L142-I146 HydrophobicContact CD1-CG1 4.19Å; L142-I146 HydrophobicContact CG-CD1 3.89Å; L142-I146 WeakPolarHBondContact O-CG1 3.39Å; L142-I146 PolarHBondContact O-N 3.47Å; L142-V301 HydrophobicContact CD1-CG1 4.4Å; L142-L304 HydrophobicContact CB-CB 4.4Å; L142-L304 HydrophobicContact CB-CD1 4.28Å; L142-L304 HydrophobicContact CD1-CB 4.25Å; L142-L305 HydrophobicContact CD1-CD2 3.9Å; L142-L305 HydrophobicContact CD1-CG 4.34Å; L142-L305 HydrophobicContact CD2-CD2 4.21Å
143	I	94.8	Very high	93.9	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-56.9	-44.3	175.8	-63.2	173.2	0	0	0	110.6	M138 S139 K140 N145 I146 L147 T240 L243 A244 F289	M138-I143 HydrophobicContact CB-CD1 4.2Å; M138-I143 HydrophobicContact CB-CG1 3.72Å; M138-I143 WeakPolarHBondContact O-CD1 3.44Å; S139-I143 WeakPolarHBondContact O-CG1 3.37Å; S139-I143 PolarHBondContact O-N 3.27Å; K140-I143 PolarHBondContact O-N 3.01Å; I143-N145 PolarHBondContact O-N 2.83Å; I143-I146 PolarHBondContact O-N 3.26Å; I143-L147 HydrophobicContact CG2-CD1 3.59Å; I143-L147 HydrophobicContact CG2-CG 4.06Å; I143-L147 WeakPolarHBondContact O-CB 3.31Å; I143-L147 WeakPolarHBondContact O-CG 3.3Å; I143-L147 PolarHBondContact O-N 3.5Å; I143-T240 HydrophobicContact CG2-CG2 4.42Å; I143-L243 HydrophobicContact CD1-CB 4.26Å; I143-L243 HydrophobicContact CG1-CB 3.98Å; I143-L243 HydrophobicContact CG2-CB 4.41Å; I143-L243 HydrophobicContact CG2-CD1 4.42Å; I143-A244 HydrophobicContact CD1-CB 3.88Å; I143-F289 HydrophobicContact CG2-CZ 4.13Å
144	R	93.5	Very high	94.1	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.011	15%	0.152	C	C	.	.	H	α-helix	trans	-56.7	-49.5	177.4	-176.7	-168.2	-59.7	124.9	-3.8	112.1	K140 T141 L142 L147 F148 F289 F290 M293	K140-R144 WeakPolarHBondContact O-CB 3.39Å; K140-R144 PolarHBondContact O-N 2.84Å; T141-R144 WeakPolarHBondContact O-CB 3.44Å; T141-R144 PolarHBondContact O-N 3.2Å; L142-R144 VanDerWaalsContact C-N 3.28Å; L142-R144 PolarHBondContact O-N 3.38Å; R144-L147 PolarHBondContact O-N 2.89Å; R144-F148 WeakPolarHBondContact O-CB 3.41Å; R144-F148 PolarHBondContact O-N 3.44Å; R144-F289 HydrophobicContact CB-CE1 3.82Å; R144-F289 HydrophobicContact CB-CZ 3.8Å; R144-F289 WeakPolarHBondContact CD-O 3.46Å; R144-F289 HydrophobicContact CG-CD1 4.26Å; R144-F289 HydrophobicContact CG-CE1 4.03Å; R144-F289 HydrophobicContact CG-CZ 4.4Å; R144-F289 WeakPolarHBondContact CG-O 3.21Å; R144-F289 PolarHBondContact NE-O 2.87Å; R144-F290 HydrophobicContact CG-CD1 3.97Å; R144-F290 HydrophobicContact CG-CE1 4.46Å; R144-M293 HydrophobicContact CG-CG 3.74Å; R144-M293 HydrophobicContact CG-SD 3.86Å
145	N	93.5	Very high	94.3	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-45.7	-179.6	-81.9	-77.2	0	0	0	112	T141 L142 I143 F148 G149 M293 S300 V301	T141-N145 PolarHBondContact O-N 2.73Å; T141-N145 VanDerWaalsContact O-N 3.17Å; T141-N145 PolarHBondContact O-ND2 3.33Å; L142-N145 PolarHBondContact O-N 2.8Å; I143-N145 PolarHBondContact O-N 2.83Å; N145-F148 PolarHBondContact O-N 3.42Å; N145-G149 PolarHBondContact O-N 3.45Å; N145-M293 HydrophobicContact CB-SD 4.48Å; N145-M293 WeakPolarHBondContact OD1-CE 3.28Å; N145-M293 PolarHBondContact OD1-SD 3.06Å; N145-S300 PolarHBondContact OD1-OG 3.33Å; N145-V301 HydrophobicContact CB-CG2 3.56Å; N145-V301 VanDerWaalsContact CG-CG2 3.46Å; N145-V301 VanDerWaalsContact OD1-CG2 3.23Å; N145-V301 WeakPolarHBondContact OD1-CG2 3.44Å
146	I	95.9	Very high	94.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-51	177.2	-66.9	174	0	0	0	110.7	A126 M138 L142 I143 F148 G149 A150 I172 I174 V180 L243	A126-I146 HydrophobicContact CB-CD1 4.38Å; A126-I146 HydrophobicContact CB-CG2 4.3Å; M138-I146 HydrophobicContact CE-CD1 4.34Å; M138-I146 HydrophobicContact SD-CD1 3.58Å; M138-I146 VanDerWaalsContact SD-CD1 3.58Å; L142-I146 HydrophobicContact CD1-CD1 3.94Å; L142-I146 HydrophobicContact CD1-CG1 4.19Å; L142-I146 HydrophobicContact CG-CD1 3.89Å; L142-I146 WeakPolarHBondContact O-CG1 3.39Å; L142-I146 PolarHBondContact O-N 3.47Å; I143-I146 PolarHBondContact O-N 3.26Å; I146-F148 VanDerWaalsContact C-N 3.33Å; I146-F148 PolarHBondContact O-N 2.84Å; I146-G149 PolarHBondContact O-N 3.35Å; I146-A150 WeakPolarHBondContact O-CB 3.14Å; I146-A150 PolarHBondContact O-N 3.43Å; I146-I172 HydrophobicContact CG2-CB 4.47Å; I146-I172 HydrophobicContact CG2-CD1 4.18Å; I146-I172 HydrophobicContact CG2-CG2 3.69Å; I146-I174 HydrophobicContact CD1-CD1 4.1Å; I146-I174 HydrophobicContact CG1-CD1 4.11Å; I146-V180 WeakPolarHBondContact O-CG1 3.3Å; I146-L243 HydrophobicContact CG2-CD1 3.95Å
147	L	96.5	Very high	95	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-67.2	-34.2	-179.1	-70.4	179.3	0	0	0	112.2	I143 R144 A150 V151 V236 T240 L243 L266 F289 F290	I143-L147 HydrophobicContact CG2-CD1 3.59Å; I143-L147 HydrophobicContact CG2-CG 4.06Å; I143-L147 WeakPolarHBondContact O-CB 3.31Å; I143-L147 WeakPolarHBondContact O-CG 3.3Å; I143-L147 PolarHBondContact O-N 3.5Å; R144-L147 PolarHBondContact O-N 2.89Å; L147-A150 PolarHBondContact O-N 3.12Å; L147-V151 WeakPolarHBondContact O-CB 3.41Å; L147-V151 WeakPolarHBondContact O-CG2 3.4Å; L147-V151 PolarHBondContact O-N 3.39Å; L147-V236 HydrophobicContact CD2-CG1 4.39Å; L147-T240 HydrophobicContact CD1-CG2 3.88Å; L147-T240 WeakPolarHBondContact CD1-OG1 3.43Å; L147-L243 HydrophobicContact CD2-CD1 4.19Å; L147-L243 HydrophobicContact CG-CD1 4.37Å; L147-L266 HydrophobicContact CD1-CD2 4.02Å; L147-F289 HydrophobicContact CD1-CE1 4.12Å; L147-F290 HydrophobicContact CB-CE1 3.89Å; L147-F290 HydrophobicContact CB-CZ 3.95Å
148	F	95.6	Very high	95.1	Very high	40 Å²	40	17.7 Å²	17.7	18%	0.175	9%	0.09	C	C	.	.	H	α-helix	trans	-61.7	-47.9	178.8	-174.4	-106.8	0	0	0	111.1	R144 N145 I146 R152 L285 F290 M293	R144-F148 WeakPolarHBondContact O-CB 3.41Å; R144-F148 PolarHBondContact O-N 3.44Å; N145-F148 PolarHBondContact O-N 3.42Å; I146-F148 VanDerWaalsContact C-N 3.33Å; I146-F148 PolarHBondContact O-N 2.84Å; F148-R152 HydrophobicContact CE1-CG 4.44Å; F148-R152 HydrophobicContact CZ-CG 4.5Å; F148-R152 WeakPolarHBondContact O-CB 3.27Å; F148-R152 VanDerWaalsContact O-CG 3.3Å; F148-R152 WeakPolarHBondContact O-CG 3.2Å; F148-R152 PolarHBondContact O-N 3.44Å; F148-L285 HydrophobicContact CD2-CD2 3.77Å; F148-L285 HydrophobicContact CE2-CD2 3.84Å; F148-F290 HydrophobicContact CB-CD1 3.79Å; F148-F290 HydrophobicContact CB-CE1 3.9Å; F148-F290 HydrophobicContact CD2-CB 3.99Å; F148-F290 AromaticContact CD2-CD1 3.68Å; F148-F290 HydrophobicContact CD2-CD1 3.68Å; F148-F290 HydrophobicContact CD2-CE1 4.38Å; F148-F290 AromaticContact CD2-CG 3.94Å; F148-F290 HydrophobicContact CD2-CG 3.94Å; F148-F290 HydrophobicContact CE2-CB 4.35Å; F148-F290 HydrophobicContact CG-CD1 4.22Å; F148-M293 HydrophobicContact CB-CE 4.16Å; F148-M293 HydrophobicContact CB-CG 4.06Å; F148-M293 HydrophobicContact CB-SD 4.45Å; F148-M293 HydrophobicContact CD1-CB 4.28Å; F148-M293 HydrophobicContact CD1-CE 3.69Å; F148-M293 HydrophobicContact CD1-CG 4.33Å; F148-M293 HydrophobicContact CD2-CB 4.06Å; F148-M293 HydrophobicContact CD2-CG 4.01Å; F148-M293 HydrophobicContact CE1-CB 4.28Å; F148-M293 HydrophobicContact CE1-CE 4.3Å; F148-M293 HydrophobicContact CE2-CB 4.07Å; F148-M293 HydrophobicContact CG-CB 4.15Å; F148-M293 HydrophobicContact CG-CE 4.04Å; F148-M293 HydrophobicContact CG-CG 3.88Å; F148-M293 HydrophobicContact CZ-CB 4.18Å
149	G	95.4	Very high	95.2	Very high	5 Å²	5	22.6 Å²	22.6	5%	0.052	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-48.2	174.1	0	0	0	0	0	112.2	N100 N145 I146 V151 R152 G153	N100-G149 WeakPolarHBondContact CB-O 3.26Å; N100-G149 WeakPolarHBondContact ND2-CA 3.32Å; N145-G149 PolarHBondContact O-N 3.45Å; I146-G149 PolarHBondContact O-N 3.35Å; G149-V151 PolarHBondContact O-N 2.97Å; G149-R152 PolarHBondContact O-N 3.21Å; G149-G153 PolarHBondContact O-N 3.22Å; G149-G153 VanDerWaalsContact O-N 3.07Å
150	A	97.6	Very high	95.1	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.033	12%	0.116	C	C	.	.	H	α-helix	trans	-57.5	-49.2	178.9	0	0	0	0	0	112.5	I146 L147 R152 G153 L154 I172 L182	I146-A150 WeakPolarHBondContact O-CB 3.14Å; I146-A150 PolarHBondContact O-N 3.43Å; L147-A150 PolarHBondContact O-N 3.12Å; A150-R152 VanDerWaalsContact C-N 3.34Å; A150-R152 PolarHBondContact O-N 2.86Å; A150-G153 PolarHBondContact O-N 2.74Å; A150-L154 WeakPolarHBondContact O-CB 3.45Å; A150-L154 PolarHBondContact O-N 2.98Å; A150-I172 HydrophobicContact CB-CD1 4.03Å; A150-I172 HydrophobicContact CB-CG1 4.29Å; A150-I172 HydrophobicContact CB-CG2 4.5Å; A150-L182 HydrophobicContact CB-CD2 3.85Å; A150-L182 HydrophobicContact CB-CG 4.35Å; A150-L182 VanDerWaalsContact O-CD1 3.23Å; A150-L182 WeakPolarHBondContact O-CD1 3.48Å
151	V	97.9	Very high	95.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.4	-32.3	-178.8	179.5	0	0	0	0	111.5	L147 G149 L154 N155 V236 A281 L284 L285 F290	L147-V151 WeakPolarHBondContact O-CB 3.41Å; L147-V151 WeakPolarHBondContact O-CG2 3.4Å; L147-V151 PolarHBondContact O-N 3.39Å; G149-V151 PolarHBondContact O-N 2.97Å; V151-L154 PolarHBondContact O-N 2.89Å; V151-N155 WeakPolarHBondContact O-CB 3.33Å; V151-N155 PolarHBondContact O-N 3.49Å; V151-V236 HydrophobicContact CG2-CG1 4.1Å; V151-V236 HydrophobicContact CG2-CG2 4.39Å; V151-A281 HydrophobicContact CG1-CB 4.12Å; V151-L284 HydrophobicContact CG1-CB 4.44Å; V151-L284 HydrophobicContact CG1-CD2 4.17Å; V151-L284 HydrophobicContact CG2-CD2 4.09Å; V151-L285 HydrophobicContact CB-CD2 3.93Å; V151-L285 HydrophobicContact CB-CG 4.41Å; V151-L285 HydrophobicContact CG1-CD1 4.36Å; V151-L285 HydrophobicContact CG1-CD2 3.78Å; V151-L285 HydrophobicContact CG1-CG 3.7Å; V151-F290 HydrophobicContact CG2-CZ 4.47Å
152	R	97.4	Very high	95.4	Very high	78 Å²	78	21.4 Å²	21.4	29%	0.294	10%	0.095	S	C	.	.	H	α-helix	trans	-61.7	-46.2	171	-77.5	-178	64.4	-163.4	-2.8	112.1	N100 F148 G149 A150 L154 N155 Y156 L285	N100-R152 WeakPolarHBondContact OD1-CB 3.26Å; F148-R152 HydrophobicContact CE1-CG 4.44Å; F148-R152 HydrophobicContact CZ-CG 4.5Å; F148-R152 WeakPolarHBondContact O-CB 3.27Å; F148-R152 VanDerWaalsContact O-CG 3.3Å; F148-R152 WeakPolarHBondContact O-CG 3.2Å; F148-R152 PolarHBondContact O-N 3.44Å; G149-R152 PolarHBondContact O-N 3.21Å; A150-R152 VanDerWaalsContact C-N 3.34Å; A150-R152 PolarHBondContact O-N 2.86Å; R152-L154 VanDerWaalsContact C-N 3.32Å; R152-L154 PolarHBondContact O-N 2.87Å; R152-N155 PolarHBondContact O-N 3.24Å; R152-Y156 PolarHBondContact O-N 2.96Å; R152-Y156 VanDerWaalsContact O-N 3.14Å; R152-L285 HydrophobicContact CG-CD1 4.07Å; R152-L285 HydrophobicContact CG-CD2 3.86Å
153	G	97.1	Very high	95.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-43.1	174.4	0	0	0	0	0	111.9	I101 G149 A150 N155 Y156 L157	I101-G153 WeakPolarHBondContact CD1-O 3.17Å; G149-G153 PolarHBondContact O-N 3.22Å; G149-G153 VanDerWaalsContact O-N 3.07Å; A150-G153 PolarHBondContact O-N 2.74Å; G153-N155 PolarHBondContact O-N 2.9Å; G153-Y156 WeakPolarHBondContact O-CB 3.37Å; G153-Y156 PolarHBondContact O-N 3.2Å; G153-L157 PolarHBondContact O-N 3.22Å
154	L	97.6	Very high	95.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-63.3	-42.1	178.4	-170.3	58	0	0	0	112.5	A150 V151 R152 Y156 L157 Y158 H164 I167 L182 D232 I233 V236	A150-L154 WeakPolarHBondContact O-CB 3.45Å; A150-L154 PolarHBondContact O-N 2.98Å; V151-L154 PolarHBondContact O-N 2.89Å; R152-L154 VanDerWaalsContact C-N 3.32Å; R152-L154 PolarHBondContact O-N 2.87Å; L154-Y156 VanDerWaalsContact C-N 3.29Å; L154-Y156 PolarHBondContact O-N 3.48Å; L154-L157 PolarHBondContact O-N 2.67Å; L154-Y158 HydrophobicContact CD1-CD1 4.26Å; L154-Y158 HydrophobicContact CD1-CE1 3.39Å; L154-Y158 WeakPolarHBondContact CD1-OH 3.45Å; L154-Y158 VanDerWaalsContact CD2-OH 3.24Å; L154-Y158 WeakPolarHBondContact CD2-OH 3.28Å; L154-Y158 HydrophobicContact CG-CD1 4.5Å; L154-Y158 HydrophobicContact CG-CE1 3.71Å; L154-Y158 HydrophobicContact CG-CE2 4.05Å; L154-Y158 VanDerWaalsContact CG-CZ 3.43Å; L154-Y158 VanDerWaalsContact CG-OH 3.26Å; L154-Y158 WeakPolarHBondContact CG-OH 3.26Å; L154-Y158 WeakPolarHBondContact O-CD1 3.22Å; L154-Y158 PolarHBondContact O-N 3.07Å; L154-H164 HydrophobicContact CD1-CB 4.08Å; L154-I167 HydrophobicContact CD1-CD1 4.15Å; L154-I167 HydrophobicContact CD1-CG1 4.37Å; L154-L182 HydrophobicContact CB-CD1 4.14Å; L154-D232 HydrophobicContact CD1-CB 4.01Å; L154-D232 HydrophobicContact CD2-CB 4.18Å; L154-I233 HydrophobicContact CD2-CD1 4.24Å; L154-V236 HydrophobicContact CD2-CG2 3.75Å
155	N	97.8	Very high	95.6	Very high	30 Å²	30	21.6 Å²	21.6	16%	0.16	10%	0.095	C	C	.	.	H	α-helix	trans	-59.3	-41.4	174.8	-171.1	57.3	0	0	0	111.7	V151 R152 G153 Y158 Q159 A281 S282 L285	V151-N155 WeakPolarHBondContact O-CB 3.33Å; V151-N155 PolarHBondContact O-N 3.49Å; R152-N155 PolarHBondContact O-N 3.24Å; G153-N155 PolarHBondContact O-N 2.9Å; N155-Y158 PolarHBondContact O-N 2.66Å; N155-Q159 WeakPolarHBondContact O-CG 3.39Å; N155-Q159 PolarHBondContact O-N 3.06Å; N155-A281 HydrophobicContact CB-CB 3.73Å; N155-S282 PolarHBondContact OD1-N 3Å; N155-L285 HydrophobicContact CB-CD1 4.3Å
156	Y	97.2	Very high	95.5	Very high	18 Å²	18	23 Å²	23	7%	0.071	10%	0.1	C	C	.	.	H	α-helix	trans	-60.8	-47.3	174.2	174.7	-94.7	0	0	0	111.9	F96 R97 H98 I101 R152 G153 L154 Y158 Q159 Y160	F96-Y156 HydrophobicContact CB-CE1 3.89Å; F96-Y156 AromaticContact CD1-CE1 3.75Å; F96-Y156 HydrophobicContact CD1-CE1 3.75Å; F96-Y156 HydrophobicContact CG-CE1 4.11Å; R97-Y156 PolarHBondContact N-OH 2.84Å; H98-Y156 HydrophobicContact CB-CD1 3.72Å; H98-Y156 HydrophobicContact CB-CD2 3.92Å; H98-Y156 HydrophobicContact CB-CE1 3.93Å; H98-Y156 HydrophobicContact CB-CE2 4.11Å; H98-Y156 HydrophobicContact CB-CG 3.71Å; H98-Y156 AromaticContact CD2-CD2 3.84Å; H98-Y156 AromaticContact CD2-CG 3.93Å; H98-Y156 AromaticContact CG-CG 3.81Å; I101-Y156 HydrophobicContact CG1-CD1 4.02Å; R152-Y156 PolarHBondContact O-N 2.96Å; R152-Y156 VanDerWaalsContact O-N 3.14Å; G153-Y156 WeakPolarHBondContact O-CB 3.37Å; G153-Y156 PolarHBondContact O-N 3.2Å; L154-Y156 VanDerWaalsContact C-N 3.29Å; L154-Y156 PolarHBondContact O-N 3.48Å; Y156-Y158 VanDerWaalsContact C-N 3.27Å; Y156-Y158 PolarHBondContact O-N 3.45Å; Y156-Q159 WeakPolarHBondContact O-CB 3.05Å; Y156-Q159 PolarHBondContact O-N 3.46Å; Y156-Q159 VanDerWaalsContact O-N 3.16Å; Y156-Y160 HydrophobicContact CD1-CD2 4.48Å; Y156-Y160 HydrophobicContact CD2-CD2 4.36Å; Y156-Y160 HydrophobicContact CD2-CE2 4.05Å; Y156-Y160 HydrophobicContact CE1-CD2 4.08Å; Y156-Y160 HydrophobicContact CE1-CE2 4.06Å; Y156-Y160 AromaticContact CE2-CD2 3.96Å; Y156-Y160 HydrophobicContact CE2-CD2 3.96Å; Y156-Y160 AromaticContact CE2-CE2 3.31Å; Y156-Y160 HydrophobicContact CE2-CE2 3.31Å; Y156-Y160 AromaticContact CZ-CD2 3.79Å; Y156-Y160 AromaticContact CZ-CE2 3.3Å; Y156-Y160 AromaticContact CZ-CZ 3.85Å; Y156-Y160 WeakPolarHBondContact O-CD2 3.4Å; Y156-Y160 PolarHBondContact O-N 3.46Å; Y156-Y160 VanDerWaalsContact OH-CE2 3.32Å; Y156-Y160 WeakPolarHBondContact OH-CE2 3.36Å; Y156-Y160 PolarHBondContact OH-OH 2.99Å
157	L	95.6	Very high	95.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.8	-38	177.2	-68	173.8	0	0	0	112.6	F96 I101 G153 L154 Q159 Y160 G161 C162 H164 L188	F96-L157 HydrophobicContact CD1-CD2 4.24Å; F96-L157 HydrophobicContact CD2-CD2 4.06Å; F96-L157 HydrophobicContact CE1-CD2 3.98Å; F96-L157 HydrophobicContact CE2-CD2 3.82Å; F96-L157 HydrophobicContact CG-CD2 4.29Å; F96-L157 HydrophobicContact CZ-CD2 3.76Å; I101-L157 HydrophobicContact CD1-CD1 3.81Å; I101-L157 HydrophobicContact CD1-CD2 4.22Å; I101-L157 HydrophobicContact CD1-CG 3.81Å; I101-L157 HydrophobicContact CG1-CG 4.45Å; G153-L157 PolarHBondContact O-N 3.22Å; L154-L157 PolarHBondContact O-N 2.67Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; L157-Q159 PolarHBondContact O-N 3.33Å; L157-Y160 CarbonylContact O-C 3.58Å; L157-Y160 PolarHBondContact O-N 2.71Å; L157-G161 PolarHBondContact O-N 3.18Å; L157-C162 HydrophobicContact CB-CB 4.31Å; L157-C162 PolarHBondContact O-N 3.44Å; L157-H164 HydrophobicContact CD1-CB 4.27Å; L157-L188 HydrophobicContact CD1-CD2 3.99Å; L157-L188 HydrophobicContact CD2-CD2 4.23Å
158	Y	95	Very high	95.5	Very high	18 Å²	18	23.8 Å²	23.8	7%	0.071	10%	0.103	C	C	.	.	H	α-helix	trans	-68	-33	178.9	-65.9	-5.7	0	0	0	113.5	L154 N155 Y156 Y160 G161 C162 R197 V229 D232 I233 A281	L154-Y158 HydrophobicContact CD1-CD1 4.26Å; L154-Y158 HydrophobicContact CD1-CE1 3.39Å; L154-Y158 WeakPolarHBondContact CD1-OH 3.45Å; L154-Y158 VanDerWaalsContact CD2-OH 3.24Å; L154-Y158 WeakPolarHBondContact CD2-OH 3.28Å; L154-Y158 HydrophobicContact CG-CD1 4.5Å; L154-Y158 HydrophobicContact CG-CE1 3.71Å; L154-Y158 HydrophobicContact CG-CE2 4.05Å; L154-Y158 VanDerWaalsContact CG-CZ 3.43Å; L154-Y158 VanDerWaalsContact CG-OH 3.26Å; L154-Y158 WeakPolarHBondContact CG-OH 3.26Å; L154-Y158 WeakPolarHBondContact O-CD1 3.22Å; L154-Y158 PolarHBondContact O-N 3.07Å; N155-Y158 PolarHBondContact O-N 2.66Å; Y156-Y158 VanDerWaalsContact C-N 3.27Å; Y156-Y158 PolarHBondContact O-N 3.45Å; Y158-Y160 PolarHBondContact O-N 3.38Å; Y158-G161 PolarHBondContact O-N 3.19Å; Y158-C162 WeakPolarHBondContact CD1-O 3.27Å; Y158-R197 PolarHBondContact O-NH2 2.97Å; Y158-V229 HydrophobicContact CD1-CB 3.71Å; Y158-V229 HydrophobicContact CD1-CG1 3.52Å; Y158-V229 HydrophobicContact CD2-CB 3.99Å; Y158-V229 HydrophobicContact CD2-CG1 4.45Å; Y158-V229 HydrophobicContact CD2-CG2 4.31Å; Y158-V229 HydrophobicContact CE1-CB 3.62Å; Y158-V229 HydrophobicContact CE1-CG1 3.84Å; Y158-V229 HydrophobicContact CE2-CB 3.89Å; Y158-V229 HydrophobicContact CE2-CG2 4.38Å; Y158-V229 HydrophobicContact CG-CB 3.91Å; Y158-V229 HydrophobicContact CG-CG1 3.87Å; Y158-V229 HydrophobicContact CG-CG2 4.5Å; Y158-V229 VanDerWaalsContact CZ-O 3.23Å; Y158-V229 PolarHBondContact OH-O 3.34Å; Y158-D232 HydrophobicContact CE1-CB 4.28Å; Y158-D232 WeakPolarHBondContact OH-CB 3.32Å; Y158-I233 HydrophobicContact CE2-CD1 4.09Å; Y158-I233 HydrophobicContact CE2-CG1 4.39Å; Y158-A281 HydrophobicContact CD2-CB 3.82Å; Y158-A281 HydrophobicContact CE2-CB 3.69Å
159	Q	93.6	Very high	95.5	Very high	115 Å²	115	21.9 Å²	21.9	54%	0.537	10%	0.095	S	C	.	.	H	α-helix	trans	-64.2	-34.9	173.1	-68.8	171.7	-7.4	0	0	110.9	N155 Y156 L157 G161	N155-Q159 WeakPolarHBondContact O-CG 3.39Å; N155-Q159 PolarHBondContact O-N 3.06Å; Y156-Q159 WeakPolarHBondContact O-CB 3.05Å; Y156-Q159 PolarHBondContact O-N 3.46Å; Y156-Q159 VanDerWaalsContact O-N 3.16Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; L157-Q159 PolarHBondContact O-N 3.33Å; Q159-G161 PolarHBondContact O-N 3.19Å
160	Y	91.3	Very high	95.5	Very high	120 Å²	120	21.8 Å²	21.8	47%	0.471	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	9.5	171.9	-78.5	-100.4	0	0	0	113.8	F96 Y156 L157 Y158 C162	F96-Y160 HydrophobicContact CE1-CD1 4.41Å; F96-Y160 HydrophobicContact CE1-CG 4.29Å; Y156-Y160 HydrophobicContact CD1-CD2 4.48Å; Y156-Y160 HydrophobicContact CD2-CD2 4.36Å; Y156-Y160 HydrophobicContact CD2-CE2 4.05Å; Y156-Y160 HydrophobicContact CE1-CD2 4.08Å; Y156-Y160 HydrophobicContact CE1-CE2 4.06Å; Y156-Y160 AromaticContact CE2-CD2 3.96Å; Y156-Y160 HydrophobicContact CE2-CD2 3.96Å; Y156-Y160 AromaticContact CE2-CE2 3.31Å; Y156-Y160 HydrophobicContact CE2-CE2 3.31Å; Y156-Y160 AromaticContact CZ-CD2 3.79Å; Y156-Y160 AromaticContact CZ-CE2 3.3Å; Y156-Y160 AromaticContact CZ-CZ 3.85Å; Y156-Y160 WeakPolarHBondContact O-CD2 3.4Å; Y156-Y160 PolarHBondContact O-N 3.46Å; Y156-Y160 VanDerWaalsContact OH-CE2 3.32Å; Y156-Y160 WeakPolarHBondContact OH-CE2 3.36Å; Y156-Y160 PolarHBondContact OH-OH 2.99Å; L157-Y160 CarbonylContact O-C 3.58Å; L157-Y160 PolarHBondContact O-N 2.71Å; Y158-Y160 PolarHBondContact O-N 3.38Å; Y160-C162 VanDerWaalsContact C-N 3.3Å; Y160-C162 PolarHBondContact O-N 3.3Å
161	G	92.4	Very high	95.4	Very high	2 Å²	2	21.7 Å²	21.7	2%	0.021	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	27.8	177	0	0	0	0	0	114	L157 Y158 Q159 L191	L157-G161 PolarHBondContact O-N 3.18Å; Y158-G161 PolarHBondContact O-N 3.19Å; Q159-G161 PolarHBondContact O-N 3.19Å; G161-L191 VanDerWaalsContact O-CB 3.25Å; G161-L191 WeakPolarHBondContact O-CB 3.45Å; G161-L191 PolarHBondContact O-N 2.71Å
162	C	94.3	Very high	95.4	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.02	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.3	179.9	-68.3	0	0	0	0	112.2	L157 Y158 Y160 L188 H189	L157-C162 HydrophobicContact CB-CB 4.31Å; L157-C162 PolarHBondContact O-N 3.44Å; Y158-C162 WeakPolarHBondContact CD1-O 3.27Å; Y160-C162 VanDerWaalsContact C-N 3.3Å; Y160-C162 PolarHBondContact O-N 3.3Å; C162-L188 HydrophobicContact CB-CD2 4.2Å; C162-H189 CarbonylContact C-O 3.58Å; C162-H189 VanDerWaalsContact CA-O 3.32Å; C162-H189 WeakPolarHBondContact CA-O 3.36Å
163	I	95.4	Very high	95.4	Very high	1 Å²	1	19 Å²	19	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.7	166.5	-49.1	175.8	0	0	0	107.7	R165 L188 H189 L191 V201 Y227 V229 D232	I163-R165 HydrophobicContact CB-CG 4.26Å; I163-R165 HydrophobicContact CG2-CG 3.72Å; I163-L188 CarbonylContact O-C 3.55Å; I163-L188 WeakPolarHBondContact O-CA 3.45Å; I163-H189 PolarHBondContact N-O 3.21Å; I163-H189 PolarHBondContact O-N 2.75Å; I163-L191 HydrophobicContact CD1-CD1 4.48Å; I163-L191 HydrophobicContact CD1-CD2 3.98Å; I163-L191 HydrophobicContact CD1-CG 4.23Å; I163-L191 HydrophobicContact CG1-CD1 4.17Å; I163-L191 HydrophobicContact CG1-CD2 4.43Å; I163-L191 HydrophobicContact CG1-CG 4.14Å; I163-V201 HydrophobicContact CD1-CB 4.46Å; I163-V201 HydrophobicContact CD1-CG2 3.71Å; I163-Y227 HydrophobicContact CD1-CD2 4.26Å; I163-Y227 HydrophobicContact CD1-CE2 4.1Å; I163-V229 HydrophobicContact CG1-CG1 4.08Å; I163-D232 VanDerWaalsContact CG2-OD2 3.25Å; I163-D232 WeakPolarHBondContact CG2-OD2 3.34Å
164	H	95.4	Very high	95.3	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.084	C	C	.	.			trans	-76.1	-41.8	-178.1	-168.4	-51.1	0	0	0	113.7	L154 L157 R166 I167 S183 L188 D232	L154-H164 HydrophobicContact CD1-CB 4.08Å; L157-H164 HydrophobicContact CD1-CB 4.27Å; H164-R166 PolarHBondContact ND1-N 2.85Å; H164-R166 PolarHBondContact O-N 2.95Å; H164-I167 HydrophobicContact CB-CD1 4.01Å; H164-I167 HydrophobicContact CB-CG1 4.18Å; H164-I167 VanDerWaalsContact CD2-CD1 3.45Å; H164-I167 WeakPolarHBondContact CD2-CD1 3.33Å; H164-S183 PolarHBondContact CE1-O 3.44Å; H164-S183 PolarHBondContact NE2-O 3.04Å; H164-L188 HydrophobicContact CB-CD2 4.38Å; H164-D232 WeakPolarHBondContact CA-OD2 3.42Å; H164-D232 WeakPolarHBondContact CB-OD2 3.35Å; H164-D232 PolarHBondContact N-OD2 3.17Å
165	R	94.2	Very high	95.1	Very high	10 Å²	10	19.5 Å²	19.5	4%	0.038	9%	0.088	C	C	.	.			trans	61.2	4.8	177.7	-53.8	-178.1	178	-178.4	-13.1	117	I163 H187 H189 D203 Y227 D232	I163-R165 HydrophobicContact CB-CG 4.26Å; I163-R165 HydrophobicContact CG2-CG 3.72Å; R165-H187 WeakPolarHBondContact CD-O 3.37Å; R165-H189 VanDerWaalsContact CZ-CG 3.42Å; R165-H189 VanDerWaalsContact NE-CB 3.34Å; R165-H189 PolarHBondContact NH1-ND1 3.38Å; R165-H189 VanDerWaalsContact NH2-CB 3.3Å; R165-H189 PolarHBondContact NH2-CE1 3.17Å; R165-H189 PolarHBondContact NH2-ND1 3.05Å; R165-D203 IonicContact CZ-OD2 2.79Å; R165-D203 IonicContact NH1-OD2 2.73Å; R165-D203 PolarHBondContact NH1-OD2 3.07Å; R165-D203 IonicContact NH2-OD2 3.29Å; R165-D203 PolarHBondContact NH2-OD2 3.35Å; R165-Y227 HydrophobicContact CG-CE2 4.49Å; R165-Y227 PolarHBondContact NE-OH 3.48Å; R165-Y227 PolarHBondContact NH2-OH 2.91Å; R165-D232 WeakPolarHBondContact CA-OD1 3.45Å; R165-D232 PolarHBondContact N-OD1 2.96Å
166	R	92.4	Very high	94.8	Very high	35 Å²	35	19.8 Å²	19.8	13%	0.132	10%	0.098	C	C	.	.			trans	-142.7	30.9	-176.3	-62.7	-173.1	80.2	-139	2	112.9	H164 K168 H171 S186 H187 V211	H164-R166 PolarHBondContact ND1-N 2.85Å; H164-R166 PolarHBondContact O-N 2.95Å; R166-K168 PolarHBondContact O-N 3.39Å; R166-H171 PolarHBondContact NE-CE1 3.02Å; R166-H171 PolarHBondContact NH1-CE1 3.2Å; R166-H171 PolarHBondContact NH1-NE2 3.49Å; R166-H171 PolarHBondContact NH2-CE1 3.47Å; R166-H171 VanDerWaalsContact NH2-CE1 3.34Å; R166-H171 PolarHBondContact NH2-NE2 3.26Å; R166-H171 PolarHBondContact O-ND1 3.14Å; R166-S186 PolarHBondContact NH1-OG 3.3Å; R166-H187 WeakPolarHBondContact CD-ND1 3.36Å; R166-H187 HydrophobicContact CG-CB 4.07Å; R166-V211 HydrophobicContact CG-CG2 4.39Å
167	I	96.5	Very high	94.4	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.026	12%	0.119	C	C	.	.			trans	-68	116.1	175.1	-59	-62.1	0	0	0	109.2	L154 H164 L182 D232 V236 T239	L154-I167 HydrophobicContact CD1-CD1 4.15Å; L154-I167 HydrophobicContact CD1-CG1 4.37Å; H164-I167 HydrophobicContact CB-CD1 4.01Å; H164-I167 HydrophobicContact CB-CG1 4.18Å; H164-I167 VanDerWaalsContact CD2-CD1 3.45Å; H164-I167 WeakPolarHBondContact CD2-CD1 3.33Å; I167-L182 HydrophobicContact CD1-CD1 3.93Å; I167-L182 HydrophobicContact CD1-CD2 3.89Å; I167-D232 HydrophobicContact CG1-CB 4.32Å; I167-V236 HydrophobicContact CG2-CG2 3.94Å; I167-T239 PolarHBondContact O-OG1 3.25Å
168	K	95.4	Very high	94.2	Very high	14 Å²	14	23.7 Å²	23.7	6%	0.061	12%	0.12	C	C	.	.	S	Bend	trans	-162.3	164.9	175.4	58.6	172.3	175.1	159.9	0	110.3	R166 S170 H171 W214 T239	R166-K168 PolarHBondContact O-N 3.39Å; K168-S170 WeakPolarHBondContact CE-OG 3.26Å; K168-S170 PolarHBondContact NZ-OG 2.9Å; K168-S170 PolarHBondContact O-N 3.46Å; K168-S170 VanDerWaalsContact O-N 3.15Å; K168-H171 WeakPolarHBondContact CE-CE1 3.47Å; K168-H171 PolarHBondContact O-N 3.2Å; K168-W214 HydrophobicContact CB-CD2 3.85Å; K168-W214 VanDerWaalsContact CB-CE2 3.45Å; K168-W214 HydrophobicContact CB-CG 4.05Å; K168-W214 HydrophobicContact CB-CZ2 3.82Å; K168-W214 HydrophobicContact CD-CE3 4.45Å; K168-W214 HydrophobicContact CD-CH2 4.17Å; K168-W214 HydrophobicContact CD-CZ2 4.26Å; K168-W214 HydrophobicContact CD-CZ3 4.28Å; K168-T239 WeakPolarHBondContact CA-OG1 3.44Å
169	A	96.6	Very high	94.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-60.3	-28.6	-176.2	0	0	0	0	0	114.1	A126 R127 H171 I172 T239 E242 L243	A126-A169 HydrophobicContact CB-CB 4.17Å; A126-A169 WeakPolarHBondContact CB-O 3.13Å; A126-A169 PolarHBondContact N-O 3.02Å; R127-A169 HydrophobicContact CB-CB 4.06Å; R127-A169 PolarHBondContact N-O 2.97Å; R127-A169 VanDerWaalsContact N-O 3.11Å; A169-H171 VanDerWaalsContact C-N 3.25Å; A169-H171 PolarHBondContact O-N 2.65Å; A169-I172 PolarHBondContact O-N 3.24Å; A169-T239 HydrophobicContact CB-CG2 4.5Å; A169-E242 HydrophobicContact CB-CG 4.17Å; A169-E242 WeakPolarHBondContact CB-OE2 3.47Å; A169-E242 PolarHBondContact N-OE2 2.8Å; A169-L243 HydrophobicContact CB-CD2 3.84Å
170	S	94.4	Very high	94.3	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.028	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-69.6	-24.4	179.5	80.4	0	0	0	0	113.1	S125 K168 F339	S125-S170 WeakPolarHBondContact CB-O 3.47Å; K168-S170 WeakPolarHBondContact CE-OG 3.26Å; K168-S170 PolarHBondContact NZ-OG 2.9Å; K168-S170 PolarHBondContact O-N 3.46Å; K168-S170 VanDerWaalsContact O-N 3.15Å; S170-F339 VanDerWaalsContact C-OXT 3.31Å; S170-F339 VanDerWaalsContact CB-OXT 3.24Å; S170-F339 WeakPolarHBondContact CB-OXT 3.48Å; S170-F339 PolarHBondContact OG-OXT 3.01Å
171	H	95.9	Very high	94.5	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.009	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-95.8	3.2	178.2	-64.1	141.2	0	0	0	114.3	R166 K168 A169 S183 F339	R166-H171 PolarHBondContact NE-CE1 3.02Å; R166-H171 PolarHBondContact NH1-CE1 3.2Å; R166-H171 PolarHBondContact NH1-NE2 3.49Å; R166-H171 PolarHBondContact NH2-CE1 3.47Å; R166-H171 VanDerWaalsContact NH2-CE1 3.34Å; R166-H171 PolarHBondContact NH2-NE2 3.26Å; R166-H171 PolarHBondContact O-ND1 3.14Å; K168-H171 WeakPolarHBondContact CE-CE1 3.47Å; K168-H171 PolarHBondContact O-N 3.2Å; A169-H171 VanDerWaalsContact C-N 3.25Å; A169-H171 PolarHBondContact O-N 2.65Å; H171-S183 VanDerWaalsContact CA-OG 3.27Å; H171-S183 WeakPolarHBondContact CA-OG 3.23Å; H171-S183 PolarHBondContact O-N 3.27Å; H171-S183 PolarHBondContact O-OG 2.84Å; H171-F339 PolarHBondContact CD2-OXT 3.47Å; H171-F339 PolarHBondContact NE2-OXT 3.38Å
172	I	98	Very high	94.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	110.4	173	-55.2	169.3	0	0	0	107.4	S125 A126 I146 A150 A169 V180 L182 T239	S125-I172 CarbonylContact C-O 3.57Å; S125-I172 VanDerWaalsContact CA-O 3.26Å; S125-I172 WeakPolarHBondContact CA-O 3.44Å; A126-I172 HydrophobicContact CB-CB 4.26Å; A126-I172 PolarHBondContact N-O 2.94Å; I146-I172 HydrophobicContact CG2-CB 4.47Å; I146-I172 HydrophobicContact CG2-CD1 4.18Å; I146-I172 HydrophobicContact CG2-CG2 3.69Å; A150-I172 HydrophobicContact CB-CD1 4.03Å; A150-I172 HydrophobicContact CB-CG1 4.29Å; A150-I172 HydrophobicContact CB-CG2 4.5Å; A169-I172 PolarHBondContact O-N 3.24Å; I172-V180 HydrophobicContact CG2-CG1 3.46Å; I172-V180 VanDerWaalsContact CG2-CG1 3.46Å; I172-L182 HydrophobicContact CG1-CD2 3.95Å; I172-T239 HydrophobicContact CD1-CG2 3.86Å
173	L	97	Very high	94.7	Very high	21 Å²	21	14.2 Å²	14.2	11%	0.11	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	150.7	-176.8	-54.7	-179	0	0	0	111.1	M121 G124 V180 T181 F339	M121-L173 HydrophobicContact CB-CB 4.02Å; M121-L173 HydrophobicContact CG-CB 3.71Å; M121-L173 HydrophobicContact CG-CD1 3.86Å; M121-L173 HydrophobicContact CG-CG 4.38Å; M121-L173 HydrophobicContact SD-CB 4.2Å; G124-L173 WeakPolarHBondContact O-CA 3.38Å; L173-V180 CarbonylContact O-C 3.26Å; L173-V180 WeakPolarHBondContact O-CA 3.28Å; L173-T181 PolarHBondContact N-O 2.74Å; L173-T181 PolarHBondContact O-N 3.06Å; L173-F339 HydrophobicContact CD2-CD1 4.32Å
174	I	95.9	Very high	94.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.6	179	-57.4	158.1	0	0	0	109.3	M121 A122 Y123 G124 L129 I146 V180 L305	M121-I174 CarbonylContact C-O 3.47Å; M121-I174 VanDerWaalsContact C-O 3.26Å; M121-I174 WeakPolarHBondContact CA-O 3.4Å; M121-I174 WeakPolarHBondContact CB-O 3.09Å; A122-I174 PolarHBondContact N-O 2.94Å; Y123-I174 WeakPolarHBondContact CB-O 3.46Å; Y123-I174 HydrophobicContact CD2-CG2 3.85Å; Y123-I174 HydrophobicContact CG-CG2 4.15Å; Y123-I174 PolarHBondContact N-O 2.98Å; Y123-I174 VanDerWaalsContact N-O 3.08Å; G124-I174 PolarHBondContact O-N 2.8Å; L129-I174 HydrophobicContact CD1-CD1 3.51Å; I146-I174 HydrophobicContact CD1-CD1 4.1Å; I146-I174 HydrophobicContact CG1-CD1 4.11Å; I174-V180 HydrophobicContact CG1-CG2 4.22Å; I174-L305 HydrophobicContact CG2-CD1 3.92Å
175	S	93.4	Very high	94.1	Very high	11 Å²	11	14.6 Å²	14.6	8%	0.077	9%	0.086	C	C	.	.			trans	-82.6	163.9	177.8	53.5	0	0	0	0	112.1	Y123 D177 G178 L179	Y123-S175 VanDerWaalsContact CD2-O 3.24Å; Y123-S175 WeakPolarHBondContact CD2-O 3.12Å; S175-D177 WeakPolarHBondContact CB-OD1 3.09Å; S175-D177 PolarHBondContact O-N 2.58Å; S175-D177 PolarHBondContact OG-OD1 3.49Å; S175-G178 PolarHBondContact O-N 3.34Å; S175-L179 PolarHBondContact N-O 3.15Å; S175-L179 VanDerWaalsContact OG-CA 3.27Å; S175-L179 WeakPolarHBondContact OG-CA 3.19Å; S175-L179 WeakPolarHBondContact OG-CB 3.46Å; S175-L179 PolarHBondContact OG-N 3.17Å; S175-L179 PolarHBondContact OG-O 3.13Å
176	G	90.8	Very high	93.8	Very high	36 Å²	36	15 Å²	15	37%	0.371	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.7	-177.1	0	0	0	0	0	114.9	L302	G176-L302 WeakPolarHBondContact O-CD2 3.31Å
177	D	89.6	Confident	93.6	Very high	96 Å²	96	14.4 Å²	14.4	51%	0.513	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	8.5	172.8	62.6	-37.5	0	0	0	113	S175 L179	S175-D177 WeakPolarHBondContact CB-OD1 3.09Å; S175-D177 PolarHBondContact O-N 2.58Å; S175-D177 PolarHBondContact OG-OD1 3.49Å; D177-L179 VanDerWaalsContact C-N 3.34Å; D177-L179 PolarHBondContact O-N 2.92Å
178	G	91.2	Very high	93.3	Very high	3 Å²	3	15 Å²	15	3%	0.031	9%	0.093	C	C	.	.			trans	82.8	6	173.7	0	0	0	0	0	114.4	S175 V180	S175-G178 PolarHBondContact O-N 3.34Å; G178-V180 PolarHBondContact O-N 3.23Å
179	L	93.3	Very high	93.2	Very high	44 Å²	44	15.7 Å²	15.7	23%	0.23	10%	0.096	C	C	.	.			trans	-69	124.3	172.5	173.4	68.9	0	0	0	110.4	P99 S175 D177	P99-L179 HydrophobicContact CB-CD1 4.04Å; P99-L179 HydrophobicContact CB-CD2 4.28Å; S175-L179 PolarHBondContact N-O 3.15Å; S175-L179 VanDerWaalsContact OG-CA 3.27Å; S175-L179 WeakPolarHBondContact OG-CA 3.19Å; S175-L179 WeakPolarHBondContact OG-CB 3.46Å; S175-L179 PolarHBondContact OG-N 3.17Å; S175-L179 PolarHBondContact OG-O 3.13Å; D177-L179 VanDerWaalsContact C-N 3.34Å; D177-L179 PolarHBondContact O-N 2.92Å
180	V	96.1	Very high	93	Very high	6 Å²	6	17.4 Å²	17.4	4%	0.036	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.7	176.8	178.5	0	0	0	0	110.4	N100 I146 I172 L173 I174 G178	N100-V180 WeakPolarHBondContact CA-O 3.44Å; N100-V180 PolarHBondContact ND2-O 3.02Å; I146-V180 WeakPolarHBondContact O-CG1 3.3Å; I172-V180 HydrophobicContact CG2-CG1 3.46Å; I172-V180 VanDerWaalsContact CG2-CG1 3.46Å; L173-V180 CarbonylContact O-C 3.26Å; L173-V180 WeakPolarHBondContact O-CA 3.28Å; I174-V180 HydrophobicContact CG1-CG2 4.22Å; G178-V180 PolarHBondContact O-N 3.23Å
181	T	96.1	Very high	92.9	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.031	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.5	-173.9	-57	0	0	0	0	111.7	P99 T102 M121 L173	P99-T181 PolarHBondContact O-OG1 3.07Å; T102-T181 VanDerWaalsContact CA-CG2 3.42Å; M121-T181 HydrophobicContact CE-CG2 4.17Å; L173-T181 PolarHBondContact N-O 2.74Å; L173-T181 PolarHBondContact O-N 3.06Å
182	L	96.5	Very high	92.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	133.2	170.6	-71.6	179.7	0	0	0	111.2	N100 I101 T102 A150 L154 I167 I172	N100-L182 PolarHBondContact O-N 3.43Å; I101-L182 HydrophobicContact CD1-CB 3.93Å; I101-L182 HydrophobicContact CD1-CD1 4.11Å; T102-L182 WeakPolarHBondContact CB-O 3.26Å; T102-L182 PolarHBondContact N-O 3.17Å; T102-L182 PolarHBondContact OG1-O 3.29Å; A150-L182 HydrophobicContact CB-CD2 3.85Å; A150-L182 HydrophobicContact CB-CG 4.35Å; A150-L182 VanDerWaalsContact O-CD1 3.23Å; A150-L182 WeakPolarHBondContact O-CD1 3.48Å; L154-L182 HydrophobicContact CB-CD1 4.14Å; I167-L182 HydrophobicContact CD1-CD1 3.93Å; I167-L182 HydrophobicContact CD1-CD2 3.89Å; I172-L182 HydrophobicContact CG1-CD2 3.95Å
183	S	94.2	Very high	92.1	Very high	4 Å²	4	24.6 Å²	24.6	3%	0.028	15%	0.145	C	C	.	.			trans	-115.9	-147.8	174.6	71.5	0	0	0	0	110.4	T102 H164 H171 L185	T102-S183 VanDerWaalsContact OG1-CA 3.3Å; T102-S183 WeakPolarHBondContact OG1-CA 3.39Å; T102-S183 VanDerWaalsContact OG1-CB 3.31Å; T102-S183 WeakPolarHBondContact OG1-CB 3.45Å; H164-S183 PolarHBondContact CE1-O 3.44Å; H164-S183 PolarHBondContact NE2-O 3.04Å; H171-S183 VanDerWaalsContact CA-OG 3.27Å; H171-S183 WeakPolarHBondContact CA-OG 3.23Å; H171-S183 PolarHBondContact O-N 3.27Å; H171-S183 PolarHBondContact O-OG 2.84Å; S183-L185 PolarHBondContact O-N 2.81Å; S183-L185 VanDerWaalsContact O-N 3.12Å
184	G	89.4	Confident	91.6	Very high	8 Å²	8	32.7 Å²	32.7	8%	0.082	18%	0.181	C	C	.	.			trans	67.3	15.4	173.8	0	0	0	0	0	116.5	S186	G184-S186 PolarHBondContact O-N 3.3Å; G184-S186 PolarHBondContact O-OG 3.3Å
185	L	90.2	Very high	91.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-62.8	-10.2	-169.8	-53.3	-176.7	0	0	0	115.9	I101 S183 H187 L188	I101-L185 HydrophobicContact CG2-CD1 4.08Å; I101-L185 HydrophobicContact CG2-CD2 4.39Å; S183-L185 PolarHBondContact O-N 2.81Å; S183-L185 VanDerWaalsContact O-N 3.12Å; L185-H187 PolarHBondContact O-N 2.95Å; L185-L188 HydrophobicContact CB-CD1 3.77Å; L185-L188 HydrophobicContact CB-CG 4.33Å; L185-L188 HydrophobicContact CD2-CD1 4.06Å; L185-L188 HydrophobicContact CD2-CG 4.5Å; L185-L188 HydrophobicContact CG-CD1 4.37Å; L185-L188 WeakPolarHBondContact O-CG 3.45Å; L185-L188 PolarHBondContact O-N 2.95Å
186	S	86.8	Confident	91.1	Very high	20 Å²	20	42.2 Å²	42.2	14%	0.14	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-45.7	-34.9	177.4	52.3	0	0	0	0	115.5	V85 R166 G184	V85-S186 WeakPolarHBondContact CG1-O 3.45Å; R166-S186 PolarHBondContact NH1-OG 3.3Å; G184-S186 PolarHBondContact O-N 3.3Å; G184-S186 PolarHBondContact O-OG 3.3Å
187	H	88.6	Confident	91.2	Very high	22 Å²	22	47.8 Å²	47.8	10%	0.102	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-112.6	21.5	-173.2	-65.9	69.1	0	0	0	113.3	R165 R166 L185 Q206	R165-H187 WeakPolarHBondContact CD-O 3.37Å; R166-H187 WeakPolarHBondContact CD-ND1 3.36Å; R166-H187 HydrophobicContact CG-CB 4.07Å; L185-H187 PolarHBondContact O-N 2.95Å; H187-Q206 PolarHBondContact NE2-O 3.12Å
188	L	90.8	Very high	91.3	Very high	16 Å²	16	47.1 Å²	47.1	8%	0.084	25%	0.248	C	C	.	.			trans	-56.3	141.1	171.7	-76.8	167.6	0	0	0	111	L92 F96 L157 C162 I163 H164 L185	L92-L188 HydrophobicContact CD1-CB 3.95Å; F96-L188 HydrophobicContact CD2-CD1 4.5Å; F96-L188 HydrophobicContact CE2-CD1 3.5Å; F96-L188 HydrophobicContact CZ-CD1 4.14Å; L157-L188 HydrophobicContact CD1-CD2 3.99Å; L157-L188 HydrophobicContact CD2-CD2 4.23Å; C162-L188 HydrophobicContact CB-CD2 4.2Å; I163-L188 CarbonylContact O-C 3.55Å; I163-L188 WeakPolarHBondContact O-CA 3.45Å; H164-L188 HydrophobicContact CB-CD2 4.38Å; L185-L188 HydrophobicContact CB-CD1 3.77Å; L185-L188 HydrophobicContact CB-CG 4.33Å; L185-L188 HydrophobicContact CD2-CD1 4.06Å; L185-L188 HydrophobicContact CD2-CG 4.5Å; L185-L188 HydrophobicContact CG-CD1 4.37Å; L185-L188 WeakPolarHBondContact O-CG 3.45Å; L185-L188 PolarHBondContact O-N 2.95Å
189	H	92.1	Very high	91.3	Very high	30 Å²	30	58 Å²	58	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.3	173.9	-163.1	95.2	0	0	0	111.5	C162 I163 R165 K193 V201 D203	C162-H189 CarbonylContact C-O 3.58Å; C162-H189 VanDerWaalsContact CA-O 3.32Å; C162-H189 WeakPolarHBondContact CA-O 3.36Å; I163-H189 PolarHBondContact N-O 3.21Å; I163-H189 PolarHBondContact O-N 2.75Å; R165-H189 VanDerWaalsContact CZ-CG 3.42Å; R165-H189 VanDerWaalsContact NE-CB 3.34Å; R165-H189 PolarHBondContact NH1-ND1 3.38Å; R165-H189 VanDerWaalsContact NH2-CB 3.3Å; R165-H189 PolarHBondContact NH2-CE1 3.17Å; R165-H189 PolarHBondContact NH2-ND1 3.05Å; H189-K193 PolarHBondContact NE2-NZ 3.31Å; H189-V201 WeakPolarHBondContact NE2-CG1 3.11Å; H189-D203 IonicContact CE1-OD2 3.59Å; H189-D203 IonicContact ND1-OD2 3.44Å
190	S	92.1	Very high	91.3	Very high	36 Å²	36	57 Å²	57	25%	0.252	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	126.8	173	-177.8	0	0	0	0	110.6	V192	S190-V192 PolarHBondContact OG-N 3.26Å; S190-V192 PolarHBondContact OG-O 2.92Å
191	L	92.6	Very high	91.2	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.031	29%	0.286	C	S	.	.	S	Bend	trans	-74.9	-15	166	-70.6	167.8	0	0	0	111.9	G161 I163 R197 H198 V201 V229	G161-L191 VanDerWaalsContact O-CB 3.25Å; G161-L191 WeakPolarHBondContact O-CB 3.45Å; G161-L191 PolarHBondContact O-N 2.71Å; I163-L191 HydrophobicContact CD1-CD1 4.48Å; I163-L191 HydrophobicContact CD1-CD2 3.98Å; I163-L191 HydrophobicContact CD1-CG 4.23Å; I163-L191 HydrophobicContact CG1-CD1 4.17Å; I163-L191 HydrophobicContact CG1-CD2 4.43Å; I163-L191 HydrophobicContact CG1-CG 4.14Å; L191-R197 HydrophobicContact CB-CG 4.39Å; L191-H198 PolarHBondContact O-CD2 3.05Å; L191-H198 PolarHBondContact O-N 3.23Å; L191-V201 HydrophobicContact CD2-CG2 3.44Å; L191-V201 VanDerWaalsContact CD2-CG2 3.44Å; L191-V229 HydrophobicContact CD1-CG1 3.8Å
192	V	91.1	Very high	91	Very high	65 Å²	65	63.2 Å²	63.2	39%	0.394	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	112.7	178.2	-174.4	0	0	0	0	108.8	S190 Q196 R197	S190-V192 PolarHBondContact OG-N 3.26Å; S190-V192 PolarHBondContact OG-O 2.92Å; V192-Q196 CarbonylContact C-O 3.49Å; V192-Q196 VanDerWaalsContact CA-O 3.32Å; V192-Q196 WeakPolarHBondContact CA-O 3.17Å; V192-R197 HydrophobicContact CG2-CB 4.45Å; V192-R197 HydrophobicContact CG2-CG 4.49Å
193	K	87.2	Confident	90.6	Very high	87 Å²	87	66.4 Å²	66.4	38%	0.378	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.3	174.5	-57.6	179	179.9	173.9	0	108.7	H189 G195 Q196	H189-K193 PolarHBondContact NE2-NZ 3.31Å; K193-G195 PolarHBondContact O-N 3.29Å; K193-G195 VanDerWaalsContact O-N 3.13Å; K193-Q196 PolarHBondContact N-O 3.22Å; K193-Q196 PolarHBondContact O-N 2.88Å; K193-Q196 VanDerWaalsContact O-O 3.13Å
194	H	86.6	Confident	90.3	Very high	191 Å²	191	70.1 Å²	70.1	88%	0.884	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	38.8	-178.4	-51.7	-69.2	0	0	0	113.6	Q196	H194-Q196 PolarHBondContact O-N 3.41Å
195	G	87.4	Confident	89.9	Confident	75 Å²	75	70 Å²	70	77%	0.773	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-0.6	-178.8	0	0	0	0	0	115.2	K193	K193-G195 PolarHBondContact O-N 3.29Å; K193-G195 VanDerWaalsContact O-N 3.13Å
196	Q	90.6	Very high	89.2	Confident	136 Å²	136	74 Å²	74	64%	0.636	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.3	179	-63.5	-171.2	0.7	0	0	111.4	V192 K193 H194 H198	V192-Q196 CarbonylContact C-O 3.49Å; V192-Q196 VanDerWaalsContact CA-O 3.32Å; V192-Q196 WeakPolarHBondContact CA-O 3.17Å; K193-Q196 PolarHBondContact N-O 3.22Å; K193-Q196 PolarHBondContact O-N 2.88Å; K193-Q196 VanDerWaalsContact O-O 3.13Å; H194-Q196 PolarHBondContact O-N 3.41Å; Q196-H198 PolarHBondContact O-CD2 2.94Å; Q196-H198 PolarHBondContact O-N 3.2Å
197	R	92.3	Very high	88.2	Confident	153 Å²	153	77.2 Å²	77.2	58%	0.577	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	112.6	173.8	-170.6	177.4	-174.6	167.8	7.8	109.6	Y158 L191 V192	Y158-R197 PolarHBondContact O-NH2 2.97Å; L191-R197 HydrophobicContact CB-CG 4.39Å; V192-R197 HydrophobicContact CG2-CB 4.45Å; V192-R197 HydrophobicContact CG2-CG 4.49Å
198	H	93.1	Very high	87	Confident	81 Å²	81	76.5 Å²	76.5	38%	0.375	37%	0.368	S	S	.	.			trans	-76.5	148	173.5	-66.8	-94.1	0	0	0	111	L191 Q196	L191-H198 PolarHBondContact O-CD2 3.05Å; L191-H198 PolarHBondContact O-N 3.23Å; Q196-H198 PolarHBondContact O-CD2 2.94Å; Q196-H198 PolarHBondContact O-N 3.2Å
199	R	91	Very high	85.9	Confident	233 Å²	233	80.9 Å²	80.9	88%	0.879	40%	0.396	S	S	*	.	S	Bend	trans	-79.9	-30.7	179	-66.3	-175.7	177.9	-173.2	-1.2	113.2	N228	R199-N228 WeakPolarHBondContact O-CB 3.49Å
200	A	93.2	Very high	85	Confident	22 Å²	22	83.9 Å²	83.9	18%	0.182	41%	0.412	C	S	.	.			trans	-143	161.9	-175.6	0	0	0	0	0	111.3	Y227	A200-Y227 CarbonylContact C-O 3.6Å; A200-Y227 VanDerWaalsContact CA-O 3.32Å; A200-Y227 WeakPolarHBondContact CA-O 3.37Å
201	V	92.9	Very high	84.5	Confident	4 Å²	4	82.2 Å²	82.2	2%	0.024	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-123.7	145.4	175.5	-173.3	0	0	0	0	109.2	I163 H189 L191 D203 G226 Y227	I163-V201 HydrophobicContact CD1-CB 4.46Å; I163-V201 HydrophobicContact CD1-CG2 3.71Å; H189-V201 WeakPolarHBondContact NE2-CG1 3.11Å; L191-V201 HydrophobicContact CD2-CG2 3.44Å; L191-V201 VanDerWaalsContact CD2-CG2 3.44Å; V201-D203 HydrophobicContact CG1-CB 3.94Å; V201-G226 CarbonylContact O-C 3.53Å; V201-G226 VanDerWaalsContact O-CA 3.24Å; V201-G226 WeakPolarHBondContact O-CA 3.38Å; V201-Y227 HydrophobicContact CB-CE1 4.23Å; V201-Y227 HydrophobicContact CB-CE2 4.43Å; V201-Y227 HydrophobicContact CG1-CE1 4.34Å; V201-Y227 PolarHBondContact N-O 2.9Å; V201-Y227 WeakPolarHBondContact O-CD1 3.37Å; V201-Y227 PolarHBondContact O-N 3.38Å
202	Y	92.6	Very high	84.2	Confident	137 Å²	137	87.1 Å²	87.1	54%	0.537	42%	0.423	S	S	.	.			trans	-116.7	-7.3	-177.6	-53.6	-80.3	0	0	0	112.6	Q222 L224	Y202-Q222 PolarHBondContact O-OE1 3.36Å; Y202-L224 VanDerWaalsContact CE1-O 3.3Å; Y202-L224 WeakPolarHBondContact CE1-O 3.38Å
203	D	88.6	Confident	84.1	Confident	68 Å²	68	85.8 Å²	85.8	36%	0.364	42%	0.416	S	S	.	.			trans	-73.2	128.3	-179.5	167.1	51.3	0	0	0	111.4	R165 H189 V201 Y227	R165-D203 IonicContact CZ-OD2 2.79Å; R165-D203 IonicContact NH1-OD2 2.73Å; R165-D203 PolarHBondContact NH1-OD2 3.07Å; R165-D203 IonicContact NH2-OD2 3.29Å; R165-D203 PolarHBondContact NH2-OD2 3.35Å; H189-D203 IonicContact CE1-OD2 3.59Å; H189-D203 IonicContact ND1-OD2 3.44Å; V201-D203 HydrophobicContact CG1-CB 3.94Å; D203-Y227 VanDerWaalsContact O-CE1 3.23Å; D203-Y227 WeakPolarHBondContact O-CE1 3.49Å; D203-Y227 PolarHBondContact O-OH 3.4Å
204	F	87.8	Confident	84.4	Confident	82 Å²	82	82.3 Å²	82.3	36%	0.36	40%	0.401	S	S	.	.			trans	-82.8	124.1	170.8	-168.3	-96.5	0	0	0	109.9	Q206 L215 L219 L220 Q222	F204-Q206 PolarHBondContact O-N 3.31Å; F204-L215 HydrophobicContact CE2-CD1 4.5Å; F204-L215 HydrophobicContact CZ-CD1 4.32Å; F204-L219 HydrophobicContact CD2-CD2 4.03Å; F204-L219 HydrophobicContact CE2-CD2 3.88Å; F204-L220 HydrophobicContact CE2-CD2 4.36Å; F204-Q222 HydrophobicContact CD2-CG 3.94Å
205	P	81.1	Confident	84.7	Confident	4 Å²	4	73.4 Å²	73.4	3%	0.026	36%	0.36	C	S	.	.			trans	-60.6	115.9	178	24.8	-31.5	0	0	0	110.1	S208 L219	P205-S208 WeakPolarHBondContact O-CB 3.39Å; P205-L219 HydrophobicContact CG-CD2 4.33Å
206	Q	73.8	Confident	85	Confident	87 Å²	87	69.9 Å²	69.9	41%	0.407	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	152.9	175.6	-61.3	-179.2	13.1	0	0	110.5	H187 F204 S208	H187-Q206 PolarHBondContact NE2-O 3.12Å; F204-Q206 PolarHBondContact O-N 3.31Å; Q206-S208 VanDerWaalsContact C-N 3.25Å; Q206-S208 PolarHBondContact O-N 3.41Å
207	F	66.3	Low	85.2	Confident	86 Å²	86	64.7 Å²	64.7	38%	0.377	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	28.5	177.5	-43.1	-73.2	0	0	0	114.8	R82	R82-F207 HydrophobicContact CG-CD2 4.44Å; R82-F207 HydrophobicContact CG-CE2 3.73Å; R82-F207 HydrophobicContact CG-CZ 3.83Å
208	S	64.3	Low	85.3	Confident	8 Å²	8	57.6 Å²	57.6	6%	0.056	27%	0.274	C	S	.	.			trans	-96.2	10	-173.7	-159.7	0	0	0	0	115.1	P205 Q206 L210 V211 Q212	P205-S208 WeakPolarHBondContact O-CB 3.39Å; Q206-S208 VanDerWaalsContact C-N 3.25Å; Q206-S208 PolarHBondContact O-N 3.41Å; S208-L210 PolarHBondContact O-N 3.43Å; S208-L210 VanDerWaalsContact O-N 3.15Å; S208-V211 CarbonylContact O-C 3.49Å; S208-V211 PolarHBondContact O-N 3.09Å; S208-Q212 PolarHBondContact O-N 3.09Å; S208-Q212 VanDerWaalsContact O-N 3.09Å
209	T	67.1	Low	85.3	Confident	108 Å²	108	53.9 Å²	53.9	66%	0.663	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-55.6	-36.1	-179.3	48.5	0	0	0	0	112.2	V211 Q212	T209-V211 VanDerWaalsContact C-N 3.27Å; T209-V211 PolarHBondContact O-N 3.26Å; T209-Q212 WeakPolarHBondContact O-CB 3.42Å; T209-Q212 PolarHBondContact O-N 3.41Å
210	L	73.1	Confident	85.3	Confident	93 Å²	93	46.4 Å²	46.4	49%	0.487	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-77.1	-6.4	178.1	-59.1	176.9	0	0	0	114.7	S208 W214 E338	S208-L210 PolarHBondContact O-N 3.43Å; S208-L210 VanDerWaalsContact O-N 3.15Å; L210-W214 WeakPolarHBondContact O-CZ3 3.44Å; L210-E338 WeakPolarHBondContact CD1-OE2 3.23Å
211	V	82.6	Confident	85.1	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-113.4	-4.5	177.5	-171.8	0	0	0	0	110.8	R166 S208 T209 P213 W214 L215	R166-V211 HydrophobicContact CG-CG2 4.39Å; S208-V211 CarbonylContact O-C 3.49Å; S208-V211 PolarHBondContact O-N 3.09Å; T209-V211 VanDerWaalsContact C-N 3.27Å; T209-V211 PolarHBondContact O-N 3.26Å; V211-P213 VanDerWaalsContact C-CD 3.41Å; V211-P213 VanDerWaalsContact C-N 3.32Å; V211-P213 VanDerWaalsContact O-N 3.11Å; V211-W214 HydrophobicContact CG1-CB 4.32Å; V211-W214 PolarHBondContact O-N 2.9Å; V211-L215 HydrophobicContact CG1-CD2 4.15Å; V211-L215 PolarHBondContact O-N 3.15Å
212	Q	86.2	Confident	85	Confident	108 Å²	108	55.2 Å²	55.2	51%	0.505	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-48.5	-41.9	-175.1	-173.2	175.3	-22.4	0	0	114.6	S208 T209 W214 L215 L220	S208-Q212 PolarHBondContact O-N 3.09Å; S208-Q212 VanDerWaalsContact O-N 3.09Å; T209-Q212 WeakPolarHBondContact O-CB 3.42Å; T209-Q212 PolarHBondContact O-N 3.41Å; Q212-W214 PolarHBondContact O-N 3.35Å; Q212-L215 PolarHBondContact O-N 3.43Å; Q212-L215 VanDerWaalsContact O-N 3.13Å; Q212-L220 HydrophobicContact CG-CD2 4.38Å
213	P	88.7	Confident	84.9	Confident	38 Å²	38	51.1 Å²	51.1	25%	0.247	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-61.3	-24.1	177.6	-25.4	35.4	0	0	0	115.3	V211 V248	V211-P213 VanDerWaalsContact C-CD 3.41Å; V211-P213 VanDerWaalsContact C-N 3.32Å; V211-P213 VanDerWaalsContact O-N 3.11Å; P213-V248 HydrophobicContact CB-CG1 3.6Å; P213-V248 HydrophobicContact CG-CG1 4.4Å
214	W	93.4	Very high	85.1	Confident	13 Å²	13	55.6 Å²	55.6	5%	0.049	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-95	-8.7	179.4	-62.6	-102.5	0	0	0	112.9	K168 L210 V211 Q212 S235 I238 E242 V248	K168-W214 HydrophobicContact CB-CD2 3.85Å; K168-W214 VanDerWaalsContact CB-CE2 3.45Å; K168-W214 HydrophobicContact CB-CG 4.05Å; K168-W214 HydrophobicContact CB-CZ2 3.82Å; K168-W214 HydrophobicContact CD-CE3 4.45Å; K168-W214 HydrophobicContact CD-CH2 4.17Å; K168-W214 HydrophobicContact CD-CZ2 4.26Å; K168-W214 HydrophobicContact CD-CZ3 4.28Å; L210-W214 WeakPolarHBondContact O-CZ3 3.44Å; V211-W214 HydrophobicContact CG1-CB 4.32Å; V211-W214 PolarHBondContact O-N 2.9Å; Q212-W214 PolarHBondContact O-N 3.35Å; W214-S235 WeakPolarHBondContact O-CB 3.07Å; W214-S235 PolarHBondContact O-OG 3.39Å; W214-I238 HydrophobicContact CB-CG2 4.38Å; W214-I238 VanDerWaalsContact CD1-CG2 3.46Å; W214-I238 HydrophobicContact CD2-CG2 4.41Å; W214-I238 HydrophobicContact CG-CB 4.33Å; W214-I238 HydrophobicContact CG-CG2 3.82Å; W214-E242 WeakPolarHBondContact CZ2-OE2 3Å; W214-E242 PolarHBondContact NE1-OE2 3.01Å; W214-V248 HydrophobicContact CD2-CG1 4.21Å; W214-V248 HydrophobicContact CE3-CG1 4.41Å; W214-V248 HydrophobicContact CH2-CB 4.31Å; W214-V248 HydrophobicContact CH2-CG1 3.94Å; W214-V248 HydrophobicContact CH2-CG2 3.47Å; W214-V248 VanDerWaalsContact CH2-CG2 3.47Å; W214-V248 HydrophobicContact CZ2-CB 4.15Å; W214-V248 HydrophobicContact CZ2-CG1 3.69Å; W214-V248 HydrophobicContact CZ2-CG2 3.27Å; W214-V248 HydrophobicContact CZ3-CG1 4.28Å; W214-V248 HydrophobicContact CZ3-CG2 4.49Å
215	L	92.6	Very high	85.2	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.026	29%	0.291	C	S	.	.	S	Bend	trans	-73	136.6	-178.7	-62.3	-178.7	0	0	0	110.5	F204 V211 Q212 L219 L220 Y234	F204-L215 HydrophobicContact CE2-CD1 4.5Å; F204-L215 HydrophobicContact CZ-CD1 4.32Å; V211-L215 HydrophobicContact CG1-CD2 4.15Å; V211-L215 PolarHBondContact O-N 3.15Å; Q212-L215 PolarHBondContact O-N 3.43Å; Q212-L215 VanDerWaalsContact O-N 3.13Å; L215-L219 HydrophobicContact CB-CD2 4.2Å; L215-L219 HydrophobicContact CD1-CD2 3.9Å; L215-L219 HydrophobicContact CD2-CD1 4.18Å; L215-L219 HydrophobicContact CD2-CD2 4.16Å; L215-L219 HydrophobicContact CG-CD2 4.3Å; L215-L220 HydrophobicContact CB-CD1 4.3Å; L215-L220 HydrophobicContact CB-CD2 3.83Å; L215-L220 HydrophobicContact CB-CG 3.92Å; L215-L220 HydrophobicContact CD1-CD2 3.83Å; L215-L220 HydrophobicContact CG-CD2 4.47Å; L215-Y234 WeakPolarHBondContact O-CE1 3.39Å
216	S	94.3	Very high	85.9	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.007	29%	0.294	C	S	.	.			trans	-71.6	154.6	-178.5	68.6	0	0	0	0	112.7	E218 L219 L220 S231 Y234	S216-E218 VanDerWaalsContact C-N 3.3Å; S216-E218 WeakPolarHBondContact CB-OE1 3.43Å; S216-E218 WeakPolarHBondContact CB-OE2 3.4Å; S216-E218 PolarHBondContact O-N 3.13Å; S216-E218 PolarHBondContact OG-OE1 3.18Å; S216-E218 PolarHBondContact OG-OE2 3.07Å; S216-L219 PolarHBondContact O-N 3.16Å; S216-L219 VanDerWaalsContact O-N 3.09Å; S216-L219 WeakPolarHBondContact OG-CB 3.41Å; S216-L219 PolarHBondContact OG-N 3.38Å; S216-L220 WeakPolarHBondContact O-CG 3.3Å; S216-L220 PolarHBondContact O-N 2.89Å; S216-S231 WeakPolarHBondContact OG-CB 3.32Å; S216-S231 PolarHBondContact OG-OG 3.28Å; S216-Y234 VanDerWaalsContact CA-CD1 3.46Å
217	P	93.4	Very high	86.9	Confident	26 Å²	26	54.8 Å²	54.8	17%	0.169	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-39.5	-179.4	-25.8	34.6	0	0	0	113.4	L220 R221 Y234	P217-L220 PolarHBondContact O-N 2.86Å; P217-R221 WeakPolarHBondContact O-CB 3.45Å; P217-R221 VanDerWaalsContact O-CG 3.31Å; P217-R221 WeakPolarHBondContact O-CG 3.38Å; P217-R221 PolarHBondContact O-N 2.96Å; P217-Y234 HydrophobicContact CG-CE2 4.09Å
218	E	94.4	Very high	88.3	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-68.2	-32.2	177.8	70.6	-77.3	174.4	0	0	113.5	S216 R221 S231 P275 R278	S216-E218 VanDerWaalsContact C-N 3.3Å; S216-E218 WeakPolarHBondContact CB-OE1 3.43Å; S216-E218 WeakPolarHBondContact CB-OE2 3.4Å; S216-E218 PolarHBondContact O-N 3.13Å; S216-E218 PolarHBondContact OG-OE1 3.18Å; S216-E218 PolarHBondContact OG-OE2 3.07Å; E218-R221 VanDerWaalsContact CB-NH2 3.32Å; E218-S231 WeakPolarHBondContact OE1-CA 3.39Å; E218-S231 WeakPolarHBondContact OE1-CB 3.38Å; E218-S231 PolarHBondContact OE1-OG 3.41Å; E218-P275 HydrophobicContact CG-CG 4.46Å; E218-R278 IonicContact OE1-CZ 3.68Å; E218-R278 IonicContact OE1-NH1 3.51Å; E218-R278 PolarHBondContact OE1-NH1 2.86Å; E218-R278 IonicContact OE1-NH2 3.75Å; E218-R278 IonicContact OE2-CZ 3.49Å; E218-R278 IonicContact OE2-NH1 3.7Å; E218-R278 PolarHBondContact OE2-NH1 2.73Å; E218-R278 IonicContact OE2-NH2 2.79Å; E218-R278 PolarHBondContact OE2-NH2 2.82Å
219	L	93.4	Very high	89.8	Confident	4 Å²	4	53 Å²	53	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-70	-41.6	172.7	-173	160	0	0	0	110.2	F204 P205 L215 S216 Q222 Y227	F204-L219 HydrophobicContact CD2-CD2 4.03Å; F204-L219 HydrophobicContact CE2-CD2 3.88Å; P205-L219 HydrophobicContact CG-CD2 4.33Å; L215-L219 HydrophobicContact CB-CD2 4.2Å; L215-L219 HydrophobicContact CD1-CD2 3.9Å; L215-L219 HydrophobicContact CD2-CD1 4.18Å; L215-L219 HydrophobicContact CD2-CD2 4.16Å; L215-L219 HydrophobicContact CG-CD2 4.3Å; S216-L219 PolarHBondContact O-N 3.16Å; S216-L219 VanDerWaalsContact O-N 3.09Å; S216-L219 WeakPolarHBondContact OG-CB 3.41Å; S216-L219 PolarHBondContact OG-N 3.38Å; L219-Q222 PolarHBondContact O-NE2 2.96Å; L219-Y227 HydrophobicContact CB-CD1 4.12Å; L219-Y227 HydrophobicContact CB-CD2 4.38Å; L219-Y227 HydrophobicContact CB-CG 4.02Å; L219-Y227 HydrophobicContact CD1-CD1 4.42Å; L219-Y227 HydrophobicContact CD1-CD2 3.86Å; L219-Y227 HydrophobicContact CD1-CE1 4.17Å; L219-Y227 HydrophobicContact CD1-CE2 3.56Å; L219-Y227 HydrophobicContact CD1-CG 4.26Å; L219-Y227 HydrophobicContact CG-CD1 3.95Å; L219-Y227 HydrophobicContact CG-CD2 4.24Å; L219-Y227 HydrophobicContact CG-CE1 3.86Å; L219-Y227 HydrophobicContact CG-CE2 4.15Å; L219-Y227 HydrophobicContact CG-CG 4.12Å
220	L	91.4	Very high	91.3	Very high	75 Å²	75	49.6 Å²	49.6	39%	0.393	25%	0.246	S	C	.	.	H	α-helix	trans	-69.9	-32.4	179.6	-67.8	174.5	0	0	0	113.5	F204 Q212 L215 S216 P217 Q222	F204-L220 HydrophobicContact CE2-CD2 4.36Å; Q212-L220 HydrophobicContact CG-CD2 4.38Å; L215-L220 HydrophobicContact CB-CD1 4.3Å; L215-L220 HydrophobicContact CB-CD2 3.83Å; L215-L220 HydrophobicContact CB-CG 3.92Å; L215-L220 HydrophobicContact CD1-CD2 3.83Å; L215-L220 HydrophobicContact CG-CD2 4.47Å; S216-L220 WeakPolarHBondContact O-CG 3.3Å; S216-L220 PolarHBondContact O-N 2.89Å; P217-L220 PolarHBondContact O-N 2.86Å; L220-Q222 VanDerWaalsContact C-N 3.3Å; L220-Q222 PolarHBondContact O-N 3.23Å
221	R	89.8	Confident	92.4	Very high	129 Å²	129	45.3 Å²	45.3	49%	0.487	22%	0.224	S	C	.	.	H	α-helix	trans	-64.6	-30	-179.8	-84.5	-175.4	-70	135.8	-10.7	114.1	P217 E218 D223	P217-R221 WeakPolarHBondContact O-CB 3.45Å; P217-R221 VanDerWaalsContact O-CG 3.31Å; P217-R221 WeakPolarHBondContact O-CG 3.38Å; P217-R221 PolarHBondContact O-N 2.96Å; E218-R221 VanDerWaalsContact CB-NH2 3.32Å; R221-D223 VanDerWaalsContact C-N 3.26Å; R221-D223 IonicContact CZ-OD2 3.62Å; R221-D223 IonicContact NH1-OD1 3.98Å; R221-D223 IonicContact NH1-OD2 2.66Å; R221-D223 PolarHBondContact NH1-OD2 3.2Å; R221-D223 PolarHBondContact O-N 2.93Å
222	Q	90.3	Very high	93.2	Very high	83 Å²	83	45.3 Å²	45.3	39%	0.388	22%	0.224	S	C	.	.			trans	50.8	42.9	179.8	-67.8	-67.4	-65.3	0	0	113.6	Y202 F204 L219 L220	Y202-Q222 PolarHBondContact O-OE1 3.36Å; F204-Q222 HydrophobicContact CD2-CG 3.94Å; L219-Q222 PolarHBondContact O-NE2 2.96Å; L220-Q222 VanDerWaalsContact C-N 3.3Å; L220-Q222 PolarHBondContact O-N 3.23Å
223	D	90.9	Very high	93.8	Very high	51 Å²	51	40.2 Å²	40.2	27%	0.273	20%	0.2	S	C	.	.			trans	-100.7	-179.4	178	71.7	42.8	0	0	0	113.1	R221 H225 G226	R221-D223 VanDerWaalsContact C-N 3.26Å; R221-D223 IonicContact CZ-OD2 3.62Å; R221-D223 IonicContact NH1-OD1 3.98Å; R221-D223 IonicContact NH1-OD2 2.66Å; R221-D223 PolarHBondContact NH1-OD2 3.2Å; R221-D223 PolarHBondContact O-N 2.93Å; D223-H225 PolarHBondContact O-N 2.73Å; D223-H225 VanDerWaalsContact O-N 3.15Å; D223-H225 VanDerWaalsContact OD1-CB 3.23Å; D223-H225 WeakPolarHBondContact OD1-CB 3.35Å; D223-H225 IonicContact OD1-CG 3.47Å; D223-H225 PolarHBondContact OD1-N 3.37Å; D223-H225 IonicContact OD1-ND1 2.96Å; D223-H225 PolarHBondContact OD1-ND1 3.26Å; D223-H225 IonicContact OD2-ND1 3.94Å; D223-G226 PolarHBondContact O-N 3.49Å; D223-G226 VanDerWaalsContact O-N 3.1Å
224	L	91.6	Very high	94.2	Very high	161 Å²	161	39.4 Å²	39.4	84%	0.843	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-8.6	-176.1	-63.3	177.1	0	0	0	114.9	Y202	Y202-L224 VanDerWaalsContact CE1-O 3.3Å; Y202-L224 WeakPolarHBondContact CE1-O 3.38Å
225	H	91.2	Very high	94.4	Very high	145 Å²	145	39 Å²	39	67%	0.671	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-28.2	172.2	-59.2	80.5	0	0	0	111.4	D223	D223-H225 PolarHBondContact O-N 2.73Å; D223-H225 VanDerWaalsContact O-N 3.15Å; D223-H225 VanDerWaalsContact OD1-CB 3.23Å; D223-H225 WeakPolarHBondContact OD1-CB 3.35Å; D223-H225 IonicContact OD1-CG 3.47Å; D223-H225 PolarHBondContact OD1-N 3.37Å; D223-H225 IonicContact OD1-ND1 2.96Å; D223-H225 PolarHBondContact OD1-ND1 3.26Å; D223-H225 IonicContact OD2-ND1 3.94Å
226	G	94.1	Very high	94.6	Very high	8 Å²	8	38.9 Å²	38.9	8%	0.082	19%	0.191	C	C	.	.			trans	60.7	-159.3	-173.9	0	0	0	0	0	112.6	V201 D223	V201-G226 CarbonylContact O-C 3.53Å; V201-G226 VanDerWaalsContact O-CA 3.24Å; V201-G226 WeakPolarHBondContact O-CA 3.38Å; D223-G226 PolarHBondContact O-N 3.49Å; D223-G226 VanDerWaalsContact O-N 3.1Å
227	Y	95.9	Very high	94.7	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.016	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-143.8	165.1	-178.7	71.8	-87.9	0	0	0	112.3	I163 R165 A200 V201 D203 L219 S231	I163-Y227 HydrophobicContact CD1-CD2 4.26Å; I163-Y227 HydrophobicContact CD1-CE2 4.1Å; R165-Y227 HydrophobicContact CG-CE2 4.49Å; R165-Y227 PolarHBondContact NE-OH 3.48Å; R165-Y227 PolarHBondContact NH2-OH 2.91Å; A200-Y227 CarbonylContact C-O 3.6Å; A200-Y227 VanDerWaalsContact CA-O 3.32Å; A200-Y227 WeakPolarHBondContact CA-O 3.37Å; V201-Y227 HydrophobicContact CB-CE1 4.23Å; V201-Y227 HydrophobicContact CB-CE2 4.43Å; V201-Y227 HydrophobicContact CG1-CE1 4.34Å; V201-Y227 PolarHBondContact N-O 2.9Å; V201-Y227 WeakPolarHBondContact O-CD1 3.37Å; V201-Y227 PolarHBondContact O-N 3.38Å; D203-Y227 VanDerWaalsContact O-CE1 3.23Å; D203-Y227 WeakPolarHBondContact O-CE1 3.49Å; D203-Y227 PolarHBondContact O-OH 3.4Å; L219-Y227 HydrophobicContact CB-CD1 4.12Å; L219-Y227 HydrophobicContact CB-CD2 4.38Å; L219-Y227 HydrophobicContact CB-CG 4.02Å; L219-Y227 HydrophobicContact CD1-CD1 4.42Å; L219-Y227 HydrophobicContact CD1-CD2 3.86Å; L219-Y227 HydrophobicContact CD1-CE1 4.17Å; L219-Y227 HydrophobicContact CD1-CE2 3.56Å; L219-Y227 HydrophobicContact CD1-CG 4.26Å; L219-Y227 HydrophobicContact CG-CD1 3.95Å; L219-Y227 HydrophobicContact CG-CD2 4.24Å; L219-Y227 HydrophobicContact CG-CE1 3.86Å; L219-Y227 HydrophobicContact CG-CE2 4.15Å; L219-Y227 HydrophobicContact CG-CG 4.12Å; Y227-S231 WeakPolarHBondContact CB-OG 3.26Å
228	N	95.5	Very high	94.8	Very high	31 Å²	31	37.6 Å²	37.6	17%	0.166	18%	0.182	C	C	.	.			trans	-142.9	-164.4	-173.5	67.9	23.4	0	0	0	111.6	R199 K230 S231	R199-N228 WeakPolarHBondContact O-CB 3.49Å; N228-K230 PolarHBondContact O-N 3.28Å; N228-K230 VanDerWaalsContact O-N 3.1Å; N228-K230 WeakPolarHBondContact OD1-CB 3.27Å; N228-K230 VanDerWaalsContact OD1-CG 3.29Å; N228-K230 WeakPolarHBondContact OD1-CG 3.1Å; N228-K230 PolarHBondContact OD1-N 3.28Å; N228-S231 VanDerWaalsContact O-CB 3.31Å; N228-S231 WeakPolarHBondContact O-CB 3.34Å; N228-S231 PolarHBondContact O-N 3.45Å; N228-S231 PolarHBondContact O-OG 3.02Å; N228-S231 VanDerWaalsContact O-OG 3.12Å
229	V	96.7	Very high	94.9	Very high	26 Å²	26	37.5 Å²	37.5	16%	0.158	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.1	178.4	-64.4	0	0	0	0	113.9	Y158 I163 L191 S231 D232	Y158-V229 HydrophobicContact CD1-CB 3.71Å; Y158-V229 HydrophobicContact CD1-CG1 3.52Å; Y158-V229 HydrophobicContact CD2-CB 3.99Å; Y158-V229 HydrophobicContact CD2-CG1 4.45Å; Y158-V229 HydrophobicContact CD2-CG2 4.31Å; Y158-V229 HydrophobicContact CE1-CB 3.62Å; Y158-V229 HydrophobicContact CE1-CG1 3.84Å; Y158-V229 HydrophobicContact CE2-CB 3.89Å; Y158-V229 HydrophobicContact CE2-CG2 4.38Å; Y158-V229 HydrophobicContact CG-CB 3.91Å; Y158-V229 HydrophobicContact CG-CG1 3.87Å; Y158-V229 HydrophobicContact CG-CG2 4.5Å; Y158-V229 VanDerWaalsContact CZ-O 3.23Å; Y158-V229 PolarHBondContact OH-O 3.34Å; I163-V229 HydrophobicContact CG1-CG1 4.08Å; L191-V229 HydrophobicContact CD1-CG1 3.8Å; V229-S231 PolarHBondContact O-N 3Å; V229-D232 PolarHBondContact O-N 2.88Å
230	K	97.7	Very high	95	Very high	35 Å²	35	37.3 Å²	37.3	15%	0.152	18%	0.181	C	C	.	.	H	α-helix	trans	-70.1	-15.3	176.5	-59.1	-72.2	-173.1	156.2	0	112.8	N228 I233 Y234 P275 R278 P279	N228-K230 PolarHBondContact O-N 3.28Å; N228-K230 VanDerWaalsContact O-N 3.1Å; N228-K230 WeakPolarHBondContact OD1-CB 3.27Å; N228-K230 VanDerWaalsContact OD1-CG 3.29Å; N228-K230 WeakPolarHBondContact OD1-CG 3.1Å; N228-K230 PolarHBondContact OD1-N 3.28Å; K230-I233 WeakPolarHBondContact O-CB 3.5Å; K230-I233 PolarHBondContact O-N 3.04Å; K230-Y234 PolarHBondContact O-N 3.06Å; K230-P275 HydrophobicContact CB-CB 3.97Å; K230-P275 WeakPolarHBondContact CG-O 3.32Å; K230-R278 HydrophobicContact CD-CB 4.31Å; K230-R278 PolarHBondContact NZ-O 3.43Å; K230-R278 WeakPolarHBondContact O-CD 3.45Å; K230-R278 PolarHBondContact O-NH1 3.08Å; K230-P279 PolarHBondContact NZ-O 2.78Å; K230-P279 VanDerWaalsContact NZ-O 3.14Å
231	S	97.2	Very high	95	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-38	174.5	-54.8	0	0	0	0	111.9	S216 E218 Y227 N228 V229 I233 Y234 S235	S216-S231 WeakPolarHBondContact OG-CB 3.32Å; S216-S231 PolarHBondContact OG-OG 3.28Å; E218-S231 WeakPolarHBondContact OE1-CA 3.39Å; E218-S231 WeakPolarHBondContact OE1-CB 3.38Å; E218-S231 PolarHBondContact OE1-OG 3.41Å; Y227-S231 WeakPolarHBondContact CB-OG 3.26Å; N228-S231 VanDerWaalsContact O-CB 3.31Å; N228-S231 WeakPolarHBondContact O-CB 3.34Å; N228-S231 PolarHBondContact O-N 3.45Å; N228-S231 PolarHBondContact O-OG 3.02Å; N228-S231 VanDerWaalsContact O-OG 3.12Å; V229-S231 PolarHBondContact O-N 3Å; S231-I233 VanDerWaalsContact C-N 3.28Å; S231-I233 PolarHBondContact O-N 3.21Å; S231-Y234 WeakPolarHBondContact O-CB 3.46Å; S231-Y234 PolarHBondContact O-N 3.4Å; S231-S235 PolarHBondContact O-N 3.14Å; S231-S235 PolarHBondContact O-OG 3.06Å
232	D	98	Very high	95.2	Very high	2 Å²	2	28 Å²	28	1%	0.011	14%	0.142	C	C	.	.	H	α-helix	trans	-68.4	-28.4	173.9	-79.2	-28.2	0	0	0	111.8	L154 Y158 I163 H164 R165 I167 V229 Y234 S235 V236	L154-D232 HydrophobicContact CD1-CB 4.01Å; L154-D232 HydrophobicContact CD2-CB 4.18Å; Y158-D232 HydrophobicContact CE1-CB 4.28Å; Y158-D232 WeakPolarHBondContact OH-CB 3.32Å; I163-D232 VanDerWaalsContact CG2-OD2 3.25Å; I163-D232 WeakPolarHBondContact CG2-OD2 3.34Å; H164-D232 WeakPolarHBondContact CA-OD2 3.42Å; H164-D232 WeakPolarHBondContact CB-OD2 3.35Å; H164-D232 PolarHBondContact N-OD2 3.17Å; R165-D232 WeakPolarHBondContact CA-OD1 3.45Å; R165-D232 PolarHBondContact N-OD1 2.96Å; I167-D232 HydrophobicContact CG1-CB 4.32Å; V229-D232 PolarHBondContact O-N 2.88Å; D232-Y234 VanDerWaalsContact C-N 3.33Å; D232-S235 WeakPolarHBondContact O-CB 3.33Å; D232-S235 PolarHBondContact O-N 3.21Å; D232-V236 WeakPolarHBondContact O-CG2 3.49Å; D232-V236 PolarHBondContact O-N 3.23Å
233	I	98.4	Very high	95.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.4	-37.6	172.6	-59	-61.4	0	0	0	111.1	L154 Y158 K230 S231 S235 V236 G237 C270 R278 P279 A281 L284	L154-I233 HydrophobicContact CD2-CD1 4.24Å; Y158-I233 HydrophobicContact CE2-CD1 4.09Å; Y158-I233 HydrophobicContact CE2-CG1 4.39Å; K230-I233 WeakPolarHBondContact O-CB 3.5Å; K230-I233 PolarHBondContact O-N 3.04Å; S231-I233 VanDerWaalsContact C-N 3.28Å; S231-I233 PolarHBondContact O-N 3.21Å; I233-S235 VanDerWaalsContact C-N 3.35Å; I233-V236 WeakPolarHBondContact O-CB 3.34Å; I233-V236 PolarHBondContact O-N 3.38Å; I233-G237 PolarHBondContact O-N 3.47Å; I233-C270 HydrophobicContact CG2-CB 4.32Å; I233-C270 WeakPolarHBondContact O-CB 3.48Å; I233-R278 HydrophobicContact CG2-CB 4.1Å; I233-P279 HydrophobicContact CG2-CG 4.4Å; I233-A281 HydrophobicContact CD1-CB 4.15Å; I233-L284 HydrophobicContact CD1-CD2 4.31Å
234	Y	97.4	Very high	95.4	Very high	22 Å²	22	22.7 Å²	22.7	9%	0.086	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-45.6	170.8	178.3	-84.5	0	0	0	111.3	L215 S216 P217 K230 S231 D232 V236 G237 I238 C270 L271	L215-Y234 WeakPolarHBondContact O-CE1 3.39Å; S216-Y234 VanDerWaalsContact CA-CD1 3.46Å; P217-Y234 HydrophobicContact CG-CE2 4.09Å; K230-Y234 PolarHBondContact O-N 3.06Å; S231-Y234 WeakPolarHBondContact O-CB 3.46Å; S231-Y234 PolarHBondContact O-N 3.4Å; D232-Y234 VanDerWaalsContact C-N 3.33Å; Y234-V236 VanDerWaalsContact C-N 3.26Å; Y234-V236 PolarHBondContact O-N 3.32Å; Y234-G237 WeakPolarHBondContact O-CA 3.46Å; Y234-G237 PolarHBondContact O-N 3.04Å; Y234-I238 HydrophobicContact CD1-CG1 4Å; Y234-I238 HydrophobicContact CE1-CD1 3.95Å; Y234-I238 HydrophobicContact CE1-CG1 3.54Å; Y234-I238 PolarHBondContact O-N 3.22Å; Y234-C270 WeakPolarHBondContact CA-O 3.44Å; Y234-L271 HydrophobicContact CD1-CD2 4.43Å; Y234-L271 HydrophobicContact CD2-CD2 3.69Å; Y234-L271 HydrophobicContact CE1-CD2 4.39Å; Y234-L271 HydrophobicContact CE2-CB 4.42Å; Y234-L271 HydrophobicContact CE2-CD2 3.64Å; Y234-L271 HydrophobicContact CG-CD2 4.09Å; Y234-L271 WeakPolarHBondContact O-CD2 3.25Å
235	S	97.3	Very high	95.2	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-60.8	-33	176.4	-52.5	0	0	0	0	112.9	W214 S231 D232 I233 G237 I238 T239	W214-S235 WeakPolarHBondContact O-CB 3.07Å; W214-S235 PolarHBondContact O-OG 3.39Å; S231-S235 PolarHBondContact O-N 3.14Å; S231-S235 PolarHBondContact O-OG 3.06Å; D232-S235 WeakPolarHBondContact O-CB 3.33Å; D232-S235 PolarHBondContact O-N 3.21Å; I233-S235 VanDerWaalsContact C-N 3.35Å; S235-G237 VanDerWaalsContact C-N 3.34Å; S235-I238 PolarHBondContact O-N 3.34Å; S235-T239 WeakPolarHBondContact O-CB 3.49Å; S235-T239 PolarHBondContact O-N 3.48Å; S235-T239 PolarHBondContact O-OG1 3.46Å
236	V	97.9	Very high	95	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.018	6%	0.062	C	C	.	.	H	α-helix	trans	-60.9	-41.9	169.7	170.1	0	0	0	0	111.1	L147 V151 L154 I167 D232 I233 Y234 T239 T240 L284	L147-V236 HydrophobicContact CD2-CG1 4.39Å; V151-V236 HydrophobicContact CG2-CG1 4.1Å; V151-V236 HydrophobicContact CG2-CG2 4.39Å; L154-V236 HydrophobicContact CD2-CG2 3.75Å; I167-V236 HydrophobicContact CG2-CG2 3.94Å; D232-V236 WeakPolarHBondContact O-CG2 3.49Å; D232-V236 PolarHBondContact O-N 3.23Å; I233-V236 WeakPolarHBondContact O-CB 3.34Å; I233-V236 PolarHBondContact O-N 3.38Å; Y234-V236 VanDerWaalsContact C-N 3.26Å; Y234-V236 PolarHBondContact O-N 3.32Å; V236-T239 PolarHBondContact O-N 2.99Å; V236-T240 PolarHBondContact O-N 3.15Å; V236-T240 PolarHBondContact O-OG1 3.44Å; V236-L284 HydrophobicContact CG1-CD2 4.18Å
237	G	95.9	Very high	94.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.2	-48.1	175	0	0	0	0	0	112.5	I233 Y234 S235 T239 T240 C241	I233-G237 PolarHBondContact O-N 3.47Å; Y234-G237 WeakPolarHBondContact O-CA 3.46Å; Y234-G237 PolarHBondContact O-N 3.04Å; S235-G237 VanDerWaalsContact C-N 3.34Å; G237-T239 VanDerWaalsContact C-N 3.34Å; G237-T239 PolarHBondContact O-N 3.43Å; G237-T240 WeakPolarHBondContact O-CB 3.24Å; G237-T240 PolarHBondContact O-N 3.23Å; G237-T240 VanDerWaalsContact O-N 3.17Å; G237-C241 PolarHBondContact O-N 3.36Å; G237-C241 VanDerWaalsContact O-N 3.14Å; G237-C241 PolarHBondContact O-SG 2.99Å
238	I	94.8	Very high	94	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-63.3	-41.6	176.7	-59	-59	0	0	0	111.3	W214 Y234 S235 T240 C241 E242 V248 P249 F250 L271	W214-I238 HydrophobicContact CB-CG2 4.38Å; W214-I238 VanDerWaalsContact CD1-CG2 3.46Å; W214-I238 HydrophobicContact CD2-CG2 4.41Å; W214-I238 HydrophobicContact CG-CB 4.33Å; W214-I238 HydrophobicContact CG-CG2 3.82Å; Y234-I238 HydrophobicContact CD1-CG1 4Å; Y234-I238 HydrophobicContact CE1-CD1 3.95Å; Y234-I238 HydrophobicContact CE1-CG1 3.54Å; Y234-I238 PolarHBondContact O-N 3.22Å; S235-I238 PolarHBondContact O-N 3.34Å; I238-T240 VanDerWaalsContact C-N 3.27Å; I238-T240 PolarHBondContact O-N 3.46Å; I238-C241 WeakPolarHBondContact O-CB 3.38Å; I238-C241 PolarHBondContact O-N 3.19Å; I238-E242 PolarHBondContact O-N 3.3Å; I238-V248 HydrophobicContact CG2-CG1 4.14Å; I238-P249 HydrophobicContact CG2-CG 4.27Å; I238-F250 HydrophobicContact CD1-CE2 4.08Å; I238-L271 HydrophobicContact CD1-CD1 4.11Å; I238-L271 HydrophobicContact CD1-CD2 3.64Å; I238-L271 HydrophobicContact CG1-CD2 3.92Å
239	T	96.4	Very high	92.9	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-63.3	-34.9	176.1	-53.8	0	0	0	0	111.6	I167 K168 A169 I172 S235 V236 G237 E242 L243	I167-T239 PolarHBondContact O-OG1 3.25Å; K168-T239 WeakPolarHBondContact CA-OG1 3.44Å; A169-T239 HydrophobicContact CB-CG2 4.5Å; I172-T239 HydrophobicContact CD1-CG2 3.86Å; S235-T239 WeakPolarHBondContact O-CB 3.49Å; S235-T239 PolarHBondContact O-N 3.48Å; S235-T239 PolarHBondContact O-OG1 3.46Å; V236-T239 PolarHBondContact O-N 2.99Å; G237-T239 VanDerWaalsContact C-N 3.34Å; G237-T239 PolarHBondContact O-N 3.43Å; T239-E242 WeakPolarHBondContact O-CB 3.25Å; T239-E242 PolarHBondContact O-N 3.08Å; T239-L243 HydrophobicContact CG2-CD1 4.22Å; T239-L243 HydrophobicContact CG2-CG 4.38Å; T239-L243 VanDerWaalsContact O-CG 3.27Å; T239-L243 WeakPolarHBondContact O-CG 3.47Å; T239-L243 PolarHBondContact O-N 3.06Å
240	T	95.4	Very high	91.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-45.4	174.9	-55.3	0	0	0	0	110.6	I143 L147 V236 G237 I238 E242 L243 A244 T263 L266 V267	I143-T240 HydrophobicContact CG2-CG2 4.42Å; L147-T240 HydrophobicContact CD1-CG2 3.88Å; L147-T240 WeakPolarHBondContact CD1-OG1 3.43Å; V236-T240 PolarHBondContact O-N 3.15Å; V236-T240 PolarHBondContact O-OG1 3.44Å; G237-T240 WeakPolarHBondContact O-CB 3.24Å; G237-T240 PolarHBondContact O-N 3.23Å; G237-T240 VanDerWaalsContact O-N 3.17Å; I238-T240 VanDerWaalsContact C-N 3.27Å; I238-T240 PolarHBondContact O-N 3.46Å; T240-E242 VanDerWaalsContact C-N 3.34Å; T240-L243 PolarHBondContact O-N 3.18Å; T240-A244 VanDerWaalsContact O-CB 3.27Å; T240-A244 WeakPolarHBondContact O-CB 3.46Å; T240-A244 PolarHBondContact O-N 3.06Å; T240-T263 HydrophobicContact CG2-CG2 3.54Å; T240-L266 HydrophobicContact CG2-CD2 4.32Å; T240-V267 HydrophobicContact CG2-CG2 3.6Å
241	C	92.3	Very high	89.3	Confident	9 Å²	9	23 Å²	23	6%	0.061	12%	0.119	C	C	.	.	H	α-helix	trans	-63.2	-40.5	174.7	-61.2	0	0	0	0	112.2	G237 I238 A244 S245 P249	G237-C241 PolarHBondContact O-N 3.36Å; G237-C241 VanDerWaalsContact O-N 3.14Å; G237-C241 PolarHBondContact O-SG 2.99Å; I238-C241 WeakPolarHBondContact O-CB 3.38Å; I238-C241 PolarHBondContact O-N 3.19Å; C241-A244 PolarHBondContact O-N 3.02Å; C241-S245 WeakPolarHBondContact O-CB 3.38Å; C241-S245 PolarHBondContact O-N 2.68Å; C241-S245 PolarHBondContact O-OG 2.81Å; C241-P249 HydrophobicContact CB-CG 3.31Å
242	E	93.8	Very high	86.9	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-56.8	-50.4	174.8	177.7	-177.2	-159.1	0	0	111.3	R127 L130 A169 W214 I238 T239 T240 A244 G246 Q247 V248	R127-E242 WeakPolarHBondContact CD-OE1 3.4Å; R127-E242 IonicContact CZ-OE1 3.06Å; R127-E242 IonicContact NE-OE1 2.65Å; R127-E242 IonicContact NH1-OE1 3.32Å; R127-E242 PolarHBondContact NH1-OE1 3.2Å; L130-E242 HydrophobicContact CD2-CG 3.96Å; L130-E242 WeakPolarHBondContact CD2-O 3.26Å; A169-E242 HydrophobicContact CB-CG 4.17Å; A169-E242 WeakPolarHBondContact CB-OE2 3.47Å; A169-E242 PolarHBondContact N-OE2 2.8Å; W214-E242 WeakPolarHBondContact CZ2-OE2 3Å; W214-E242 PolarHBondContact NE1-OE2 3.01Å; I238-E242 PolarHBondContact O-N 3.3Å; T239-E242 WeakPolarHBondContact O-CB 3.25Å; T239-E242 PolarHBondContact O-N 3.08Å; T240-E242 VanDerWaalsContact C-N 3.34Å; E242-A244 VanDerWaalsContact C-N 3.32Å; E242-A244 PolarHBondContact O-N 3.46Å; E242-G246 PolarHBondContact O-N 2.82Å; E242-Q247 WeakPolarHBondContact CA-O 3.46Å; E242-V248 HydrophobicContact CG-CG2 4.06Å
243	L	94.4	Very high	84.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68	-32.2	179.7	-63.4	172	0	0	0	112.7	A126 G137 M138 I143 I146 L147 A169 T239 T240	A126-L243 HydrophobicContact CB-CD2 3.82Å; G137-L243 WeakPolarHBondContact CA-O 3.27Å; M138-L243 HydrophobicContact CE-CD2 4.12Å; M138-L243 PolarHBondContact N-O 3.16Å; M138-L243 HydrophobicContact SD-CD2 4.02Å; I143-L243 HydrophobicContact CD1-CB 4.26Å; I143-L243 HydrophobicContact CG1-CB 3.98Å; I143-L243 HydrophobicContact CG2-CB 4.41Å; I143-L243 HydrophobicContact CG2-CD1 4.42Å; I146-L243 HydrophobicContact CG2-CD1 3.95Å; L147-L243 HydrophobicContact CD2-CD1 4.19Å; L147-L243 HydrophobicContact CG-CD1 4.37Å; A169-L243 HydrophobicContact CB-CD2 3.84Å; T239-L243 HydrophobicContact CG2-CD1 4.22Å; T239-L243 HydrophobicContact CG2-CG 4.38Å; T239-L243 VanDerWaalsContact O-CG 3.27Å; T239-L243 WeakPolarHBondContact O-CG 3.47Å; T239-L243 PolarHBondContact O-N 3.06Å; T240-L243 PolarHBondContact O-N 3.18Å
244	A	92.4	Very high	81.3	Confident	21 Å²	21	43.8 Å²	43.8	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-77.9	-27.5	-178.8	0	0	0	0	0	114.1	I143 T240 C241 E242	I143-A244 HydrophobicContact CD1-CB 3.88Å; T240-A244 VanDerWaalsContact O-CB 3.27Å; T240-A244 WeakPolarHBondContact O-CB 3.46Å; T240-A244 PolarHBondContact O-N 3.06Å; C241-A244 PolarHBondContact O-N 3.02Å; E242-A244 VanDerWaalsContact C-N 3.32Å; E242-A244 PolarHBondContact O-N 3.46Å
245	S	87.4	Confident	78.6	Confident	23 Å²	23	52 Å²	52	16%	0.161	26%	0.259	C	S	.	.	H	α-helix	trans	-117.8	-4.4	-172.9	65.8	0	0	0	0	114.5	C241 Q247	C241-S245 WeakPolarHBondContact O-CB 3.38Å; C241-S245 PolarHBondContact O-N 2.68Å; C241-S245 PolarHBondContact O-OG 2.81Å; S245-Q247 PolarHBondContact O-N 2.9Å; S245-Q247 VanDerWaalsContact O-N 3.16Å; S245-Q247 PolarHBondContact OG-O 3.15Å
246	G	86.9	Confident	76.1	Confident	15 Å²	15	57.7 Å²	57.7	16%	0.155	29%	0.294	C	S	.	.	S	Bend	trans	81.4	-19.1	-174.9	0	0	0	0	0	114.2	L130 P135 E242	L130-G246 VanDerWaalsContact CD2-O 3.3Å; L130-G246 WeakPolarHBondContact CD2-O 3.34Å; P135-G246 WeakPolarHBondContact O-CA 3.37Å; E242-G246 PolarHBondContact O-N 2.82Å
247	Q	84.8	Confident	73.7	Confident	103 Å²	103	64.3 Å²	64.3	48%	0.481	33%	0.325	S	S	.	.	S	Bend	trans	-131.6	150.9	-170.7	58.9	-177.4	-1.9	0	0	112.2	E242 S245	E242-Q247 WeakPolarHBondContact CA-O 3.46Å; S245-Q247 PolarHBondContact O-N 2.9Å; S245-Q247 VanDerWaalsContact O-N 3.16Å; S245-Q247 PolarHBondContact OG-O 3.15Å
248	V	83.7	Confident	71.4	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.018	35%	0.35	C	S	.	.			trans	-78.1	131.2	-179.3	-170.5	0	0	0	0	108.1	P213 W214 I238 E242 F250 Q251	P213-V248 HydrophobicContact CB-CG1 3.6Å; P213-V248 HydrophobicContact CG-CG1 4.4Å; W214-V248 HydrophobicContact CD2-CG1 4.21Å; W214-V248 HydrophobicContact CE3-CG1 4.41Å; W214-V248 HydrophobicContact CH2-CB 4.31Å; W214-V248 HydrophobicContact CH2-CG1 3.94Å; W214-V248 HydrophobicContact CH2-CG2 3.47Å; W214-V248 VanDerWaalsContact CH2-CG2 3.47Å; W214-V248 HydrophobicContact CZ2-CB 4.15Å; W214-V248 HydrophobicContact CZ2-CG1 3.69Å; W214-V248 HydrophobicContact CZ2-CG2 3.27Å; W214-V248 HydrophobicContact CZ3-CG1 4.28Å; W214-V248 HydrophobicContact CZ3-CG2 4.49Å; I238-V248 HydrophobicContact CG2-CG1 4.14Å; E242-V248 HydrophobicContact CG-CG2 4.06Å; V248-F250 PolarHBondContact O-N 3.07Å; V248-Q251 HydrophobicContact CB-CG 4.21Å; V248-Q251 PolarHBondContact O-N 3.11Å
249	P	72.6	Confident	69.2	Low	21 Å²	21	71.6 Å²	71.6	14%	0.136	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	143.2	172.1	-25.5	32.8	0	0	0	110.7	I238 C241 Q251	I238-P249 HydrophobicContact CG2-CG 4.27Å; C241-P249 HydrophobicContact CB-CG 3.31Å; P249-Q251 VanDerWaalsContact C-N 3.35Å; P249-Q251 PolarHBondContact O-N 2.87Å
250	F	64.9	Low	67.2	Low	151 Å²	151	76.8 Å²	76.8	66%	0.662	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	4.8	-179.4	-39.5	-73.8	0	0	0	116.8	I238 V248	I238-F250 HydrophobicContact CD1-CE2 4.08Å; V248-F250 PolarHBondContact O-N 3.07Å
251	Q	53.9	Low	65.5	Low	102 Å²	102	82.1 Å²	82.1	48%	0.477	42%	0.421	S	S	.	.	S	Bend	trans	-74.8	-25.6	168.2	-75.3	-169.4	-21.2	0	0	113.1	V248 P249	V248-Q251 HydrophobicContact CB-CG 4.21Å; V248-Q251 PolarHBondContact O-N 3.11Å; P249-Q251 VanDerWaalsContact C-N 3.35Å; P249-Q251 PolarHBondContact O-N 2.87Å
252	D	46.7	Very low	64	Low	135 Å²	135	84.8 Å²	84.8	72%	0.722	43%	0.433	S	S	*	.	S	Bend	trans	-149.7	132.6	168	-79.7	-56.2	0	0	0	109.6	H254	D252-H254 PolarHBondContact O-N 3.24Å
253	V	41	Very low	63.2	Low	136 Å²	136	84.9 Å²	84.9	82%	0.824	43%	0.434	S	S	*	.			trans	-76.2	13.5	-162.9	-179.1	0	0	0	0	113.9
254	H	36.5	Very low	62.6	Low	170 Å²	170	88.4 Å²	88.4	79%	0.787	45%	0.45	S	S	*	.	S	Bend	trans	-104.6	100.8	-178.4	-75.7	-57.2	0	0	0	113.2	D252	D252-H254 PolarHBondContact O-N 3.24Å
255	R	41.1	Very low	62.4	Low	193 Å²	193	89 Å²	89	73%	0.728	45%	0.453	S	S	*	.			trans	58.6	104.1	157.7	-63.4	-176.7	-172.8	171	4.6	116.6	Q257	R255-Q257 HydrophobicContact CB-CB 4.23Å; R255-Q257 PolarHBondContact O-N 2.75Å
256	T	45.3	Very low	62.5	Low	124 Å²	124	88 Å²	88	76%	0.761	45%	0.446	S	S	*	.			trans	-63.4	53	145.3	6.3	0	0	0	0	111.1	M258	T256-M258 PolarHBondContact O-N 3.29Å
257	Q	46.8	Very low	62.8	Low	142 Å²	142	87.7 Å²	87.7	66%	0.664	44%	0.441	S	S	*	.			trans	-87.9	83.1	159.6	-98	-179.5	-29.4	0	0	106.3	R255	R255-Q257 HydrophobicContact CB-CB 4.23Å; R255-Q257 PolarHBondContact O-N 2.75Å
258	M	48.2	Very low	63.1	Low	108 Å²	108	88.7 Å²	88.7	53%	0.532	45%	0.446	S	S	.	.			trans	176.8	97.9	159	-104.2	-165.1	-50	0	0	107.6	T256	T256-M258 PolarHBondContact O-N 3.29Å
259	L	49.3	Very low	63.6	Low	46 Å²	46	91.7 Å²	91.7	24%	0.241	46%	0.461	C	S	.	.			trans	-149	132.2	155.7	-86.4	156	0	0	0	108.1	T263 E264 V267	L259-T263 HydrophobicContact CD2-CG2 3.43Å; L259-T263 VanDerWaalsContact CD2-CG2 3.43Å; L259-E264 HydrophobicContact CB-CB 4.32Å; L259-E264 HydrophobicContact CB-CG 3.12Å; L259-E264 HydrophobicContact CD1-CG 4Å; L259-E264 HydrophobicContact CG-CG 4.07Å; L259-V267 HydrophobicContact CD1-CB 4.31Å; L259-V267 HydrophobicContact CD1-CG1 4.26Å; L259-V267 HydrophobicContact CD1-CG2 4.34Å; L259-V267 HydrophobicContact CD2-CG2 4.05Å
260	L	53.8	Low	64.8	Low	110 Å²	110	90.7 Å²	90.7	58%	0.576	46%	0.455	S	S	*	.			trans	-63.6	134.7	165.4	-66.6	155.4	0	0	0	107.6	K140 E262 T263 E264	K140-L260 HydrophobicContact CB-CD1 3.89Å; L260-E262 VanDerWaalsContact C-N 3.27Å; L260-E262 PolarHBondContact O-N 2.65Å; L260-T263 WeakPolarHBondContact O-CA 3.42Å; L260-T263 WeakPolarHBondContact O-CB 3.18Å; L260-T263 PolarHBondContact O-N 3.28Å; L260-E264 PolarHBondContact O-N 3.32Å
261	T	59	Low	66.2	Low	111 Å²	111	85.7 Å²	85.7	68%	0.681	44%	0.435	S	S	*	.	H	α-helix	trans	-45.7	-36.4	-167.4	54	0	0	0	0	116.6	E264	T261-E264 WeakPolarHBondContact O-CB 3.44Å
262	E	61.1	Low	68.2	Low	66 Å²	66	84.1 Å²	84.1	31%	0.308	43%	0.427	S	S	.	.	H	α-helix	trans	-80.6	-25.1	177.6	-75.8	174.2	-135.4	0	0	114.6	K140 L260 E264 S265	K140-E262 WeakPolarHBondContact CE-OE2 3.3Å; K140-E262 IonicContact NZ-OE1 2.73Å; K140-E262 PolarHBondContact NZ-OE1 3.17Å; K140-E262 IonicContact NZ-OE2 3.24Å; K140-E262 PolarHBondContact NZ-OE2 3.2Å; L260-E262 VanDerWaalsContact C-N 3.27Å; L260-E262 PolarHBondContact O-N 2.65Å; E262-E264 VanDerWaalsContact C-N 3.31Å; E262-S265 PolarHBondContact O-OG 3.22Å
263	T	77.7	Confident	70.3	Confident	3 Å²	3	84 Å²	84	2%	0.018	42%	0.423	C	S	.	.	H	α-helix	trans	-75.2	-31.5	173.3	-42.4	0	0	0	0	109.1	T240 L259 L260 L266 V267 F289	T240-T263 HydrophobicContact CG2-CG2 3.54Å; L259-T263 HydrophobicContact CD2-CG2 3.43Å; L259-T263 VanDerWaalsContact CD2-CG2 3.43Å; L260-T263 WeakPolarHBondContact O-CA 3.42Å; L260-T263 WeakPolarHBondContact O-CB 3.18Å; L260-T263 PolarHBondContact O-N 3.28Å; T263-L266 PolarHBondContact O-N 3.04Å; T263-V267 WeakPolarHBondContact O-CB 3.44Å; T263-V267 VanDerWaalsContact O-CG2 3.26Å; T263-V267 WeakPolarHBondContact O-CG2 3.15Å; T263-V267 PolarHBondContact O-N 3.42Å; T263-F289 HydrophobicContact CG2-CE2 4.45Å
264	E	81.1	Confident	72.8	Confident	73 Å²	73	80.9 Å²	80.9	34%	0.341	40%	0.401	S	S	.	.	H	α-helix	trans	-57.8	-48.9	173.1	-64.1	-175.6	146.4	0	0	112.4	L259 L260 T261 E262 L266 V267 Q268	L259-E264 HydrophobicContact CB-CB 4.32Å; L259-E264 HydrophobicContact CB-CG 3.12Å; L259-E264 HydrophobicContact CD1-CG 4Å; L259-E264 HydrophobicContact CG-CG 4.07Å; L260-E264 PolarHBondContact O-N 3.32Å; T261-E264 WeakPolarHBondContact O-CB 3.44Å; E262-E264 VanDerWaalsContact C-N 3.31Å; E264-L266 VanDerWaalsContact C-N 3.34Å; E264-L266 PolarHBondContact O-N 3.47Å; E264-V267 PolarHBondContact O-N 3Å; E264-Q268 WeakPolarHBondContact O-CB 3.23Å; E264-Q268 VanDerWaalsContact O-CG 3.26Å; E264-Q268 WeakPolarHBondContact O-CG 3.47Å; E264-Q268 PolarHBondContact O-N 2.92Å
265	S	88.1	Confident	75.6	Confident	35 Å²	35	73.9 Å²	73.9	25%	0.245	37%	0.371	C	S	.	.	H	α-helix	trans	-63.5	-40.1	-177.8	60.9	0	0	0	0	112.1	E262 L269 H287	E262-S265 PolarHBondContact O-OG 3.22Å; S265-L269 VanDerWaalsContact O-CG 3.3Å; S265-L269 WeakPolarHBondContact O-CG 3.43Å; S265-L269 PolarHBondContact O-N 3.35Å; S265-L269 VanDerWaalsContact O-N 3.09Å; S265-H287 PolarHBondContact OG-CE1 2.66Å; S265-H287 VanDerWaalsContact OG-CE1 3.31Å
266	L	91.1	Very high	78.2	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-61.4	-48	174.1	-170.2	82.2	0	0	0	111.6	L147 T240 T263 E264 L269 C270 L284 H287 F289 F290	L147-L266 HydrophobicContact CD1-CD2 4.02Å; T240-L266 HydrophobicContact CG2-CD2 4.32Å; T263-L266 PolarHBondContact O-N 3.04Å; E264-L266 VanDerWaalsContact C-N 3.34Å; E264-L266 PolarHBondContact O-N 3.47Å; L266-L269 PolarHBondContact O-N 3.43Å; L266-C270 PolarHBondContact O-N 2.84Å; L266-C270 PolarHBondContact O-SG 3.29Å; L266-L284 HydrophobicContact CD1-CD1 3.4Å; L266-L284 HydrophobicContact CD1-CG 4.21Å; L266-L284 HydrophobicContact CG-CD1 4.33Å; L266-H287 HydrophobicContact CD1-CB 4.29Å; L266-F289 HydrophobicContact CD1-CB 4.22Å; L266-F289 HydrophobicContact CD1-CD1 4.37Å; L266-F289 HydrophobicContact CD2-CD1 3.7Å; L266-F289 HydrophobicContact CD2-CE1 3.88Å; L266-F289 HydrophobicContact CD2-CG 4.16Å; L266-F290 HydrophobicContact CD1-CE2 3.99Å
267	V	92.3	Very high	80.7	Confident	10 Å²	10	71.4 Å²	71.4	6%	0.061	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-45.4	-180	169.4	0	0	0	0	110.7	T240 L259 T263 E264 L269 C270 L271	T240-V267 HydrophobicContact CG2-CG2 3.6Å; L259-V267 HydrophobicContact CD1-CB 4.31Å; L259-V267 HydrophobicContact CD1-CG1 4.26Å; L259-V267 HydrophobicContact CD1-CG2 4.34Å; L259-V267 HydrophobicContact CD2-CG2 4.05Å; T263-V267 WeakPolarHBondContact O-CB 3.44Å; T263-V267 VanDerWaalsContact O-CG2 3.26Å; T263-V267 WeakPolarHBondContact O-CG2 3.15Å; T263-V267 PolarHBondContact O-N 3.42Å; E264-V267 PolarHBondContact O-N 3Å; V267-L269 VanDerWaalsContact C-N 3.31Å; V267-L269 PolarHBondContact O-N 3.28Å; V267-C270 PolarHBondContact O-N 3.41Å; V267-C270 VanDerWaalsContact O-N 3.16Å; V267-L271 HydrophobicContact CG1-CD1 3.52Å; V267-L271 HydrophobicContact CG1-CG 4.03Å; V267-L271 WeakPolarHBondContact O-CB 3.46Å; V267-L271 WeakPolarHBondContact O-CG 3.43Å; V267-L271 PolarHBondContact O-N 3.31Å
268	Q	91.2	Very high	83.1	Confident	124 Å²	124	64.8 Å²	64.8	58%	0.579	33%	0.326	S	S	*	.	H	α-helix	trans	-60.3	-39	177.7	-75.1	175.8	-2.4	0	0	112.3	E264 Q272	E264-Q268 WeakPolarHBondContact O-CB 3.23Å; E264-Q268 VanDerWaalsContact O-CG 3.26Å; E264-Q268 WeakPolarHBondContact O-CG 3.47Å; E264-Q268 PolarHBondContact O-N 2.92Å; Q268-Q272 PolarHBondContact O-NE2 3Å
269	L	94.6	Very high	85.5	Confident	65 Å²	65	60.5 Å²	60.5	34%	0.34	31%	0.306	S	S	.	.	H	α-helix	trans	-66.8	-40.2	175	-72.9	172.5	0	0	0	112.2	S265 L266 V267 Q272 P279 H287	S265-L269 VanDerWaalsContact O-CG 3.3Å; S265-L269 WeakPolarHBondContact O-CG 3.43Å; S265-L269 PolarHBondContact O-N 3.35Å; S265-L269 VanDerWaalsContact O-N 3.09Å; L266-L269 PolarHBondContact O-N 3.43Å; V267-L269 VanDerWaalsContact C-N 3.31Å; V267-L269 PolarHBondContact O-N 3.28Å; L269-Q272 WeakPolarHBondContact O-CG 3.45Å; L269-P279 HydrophobicContact CB-CG 4.33Å; L269-P279 WeakPolarHBondContact O-CD 3.28Å; L269-H287 VanDerWaalsContact CD1-CD2 3.49Å; L269-H287 WeakPolarHBondContact CD1-CD2 3.16Å
270	C	96.5	Very high	87.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-74.1	-36.1	-178.8	-66.1	0	0	0	0	112.7	I233 Y234 L266 V267 Q272 R278	I233-C270 HydrophobicContact CG2-CB 4.32Å; I233-C270 WeakPolarHBondContact O-CB 3.48Å; Y234-C270 WeakPolarHBondContact CA-O 3.44Å; L266-C270 PolarHBondContact O-N 2.84Å; L266-C270 PolarHBondContact O-SG 3.29Å; V267-C270 PolarHBondContact O-N 3.41Å; V267-C270 VanDerWaalsContact O-N 3.16Å; C270-Q272 VanDerWaalsContact C-N 3.33Å; C270-Q272 PolarHBondContact O-N 3.17Å; C270-R278 VanDerWaalsContact O-CD 3.23Å; C270-R278 WeakPolarHBondContact O-CD 3.34Å; C270-R278 PolarHBondContact O-NE 3.49Å
271	L	95	Very high	89.8	Confident	46 Å²	46	55.3 Å²	55.3	24%	0.241	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	20	-174	-59.2	-172.7	0	0	0	114.1	Y234 I238 V267 Q273	Y234-L271 HydrophobicContact CD1-CD2 4.43Å; Y234-L271 HydrophobicContact CD2-CD2 3.69Å; Y234-L271 HydrophobicContact CE1-CD2 4.39Å; Y234-L271 HydrophobicContact CE2-CB 4.42Å; Y234-L271 HydrophobicContact CE2-CD2 3.64Å; Y234-L271 HydrophobicContact CG-CD2 4.09Å; Y234-L271 WeakPolarHBondContact O-CD2 3.25Å; I238-L271 HydrophobicContact CD1-CD1 4.11Å; I238-L271 HydrophobicContact CD1-CD2 3.64Å; I238-L271 HydrophobicContact CG1-CD2 3.92Å; V267-L271 HydrophobicContact CG1-CD1 3.52Å; V267-L271 HydrophobicContact CG1-CG 4.03Å; V267-L271 WeakPolarHBondContact O-CB 3.46Å; V267-L271 WeakPolarHBondContact O-CG 3.43Å; V267-L271 PolarHBondContact O-N 3.31Å; L271-Q273 PolarHBondContact O-N 3.16Å
272	Q	95.3	Very high	91.5	Very high	70 Å²	70	51.6 Å²	51.6	33%	0.327	26%	0.261	S	S	.	.			trans	-57.7	133.8	170.6	-66.1	-65.4	-45.1	0	0	110.6	Q268 L269 C270 D274 K277 R278	Q268-Q272 PolarHBondContact O-NE2 3Å; L269-Q272 WeakPolarHBondContact O-CG 3.45Å; C270-Q272 VanDerWaalsContact C-N 3.33Å; C270-Q272 PolarHBondContact O-N 3.17Å; Q272-D274 VanDerWaalsContact C-N 3.32Å; Q272-D274 PolarHBondContact O-N 3.28Å; Q272-K277 HydrophobicContact CB-CB 4.06Å; Q272-K277 HydrophobicContact CG-CB 4.07Å; Q272-R278 HydrophobicContact CB-CG 3.9Å; Q272-R278 PolarHBondContact O-NE 3.03Å; Q272-R278 PolarHBondContact O-NH2 3.44Å
273	Q	90.8	Very high	93.2	Very high	133 Å²	133	51.4 Å²	51.4	62%	0.621	27%	0.267	S	S	*	.	S	Bend	trans	-62.1	-42.6	177.7	-71.9	-65	-30.2	0	0	111.5	L271 P275 R278	L271-Q273 PolarHBondContact O-N 3.16Å; Q273-P275 WeakPolarHBondContact O-CD 3.32Å; Q273-R278 PolarHBondContact O-NH2 2.79Å
274	D	94.1	Very high	94	Very high	69 Å²	69	51.4 Å²	51.4	37%	0.369	27%	0.267	S	S	.	.	S	Bend	trans	-79.1	116.8	174	-177.9	-5.6	0	0	0	110.1	Q272 E276 K277	Q272-D274 VanDerWaalsContact C-N 3.32Å; Q272-D274 PolarHBondContact O-N 3.28Å; D274-E276 PolarHBondContact O-N 3.36Å; D274-E276 PolarHBondContact OD1-N 3.48Å; D274-K277 HydrophobicContact CB-CB 4.39Å; D274-K277 HydrophobicContact CB-CD 4Å; D274-K277 HydrophobicContact CB-CG 4Å; D274-K277 PolarHBondContact O-N 2.9Å; D274-K277 WeakPolarHBondContact OD2-CE 3.47Å
275	P	95.9	Very high	94.6	Very high	23 Å²	23	48.9 Å²	48.9	15%	0.149	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-62	-26.9	-179.6	25.8	-34.4	0	0	0	113.4	E218 K230 Q273 K277 R278	E218-P275 HydrophobicContact CG-CG 4.46Å; K230-P275 HydrophobicContact CB-CB 3.97Å; K230-P275 WeakPolarHBondContact CG-O 3.32Å; Q273-P275 WeakPolarHBondContact O-CD 3.32Å; P275-K277 VanDerWaalsContact C-N 3.27Å; P275-K277 PolarHBondContact O-N 3.2Å; P275-R278 WeakPolarHBondContact O-CB 3.36Å; P275-R278 PolarHBondContact O-N 3.04Å
276	E	95.6	Very high	94.9	Very high	130 Å²	130	51.2 Å²	51.2	61%	0.607	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-72.4	-24	-179.9	-64.1	-56.2	126.8	0	0	112.2	D274 R278	D274-E276 PolarHBondContact O-N 3.36Å; D274-E276 PolarHBondContact OD1-N 3.48Å; E276-R278 VanDerWaalsContact C-N 3.32Å
277	K	96.9	Very high	94.9	Very high	136 Å²	136	52.7 Å²	52.7	59%	0.591	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-79.6	-14.6	174.1	-63.7	-176.2	-173.5	177.4	0	113.3	Q272 D274 P275	Q272-K277 HydrophobicContact CB-CB 4.06Å; Q272-K277 HydrophobicContact CG-CB 4.07Å; D274-K277 HydrophobicContact CB-CB 4.39Å; D274-K277 HydrophobicContact CB-CD 4Å; D274-K277 HydrophobicContact CB-CG 4Å; D274-K277 PolarHBondContact O-N 2.9Å; D274-K277 WeakPolarHBondContact OD2-CE 3.47Å; P275-K277 VanDerWaalsContact C-N 3.27Å; P275-K277 PolarHBondContact O-N 3.2Å
278	R	97.9	Very high	94.8	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.011	30%	0.301	C	S	.	.	S	Bend	trans	-72.5	144.1	175.6	-59.8	177.7	-161.5	143.1	10.3	109.1	E218 K230 I233 C270 Q272 Q273 P275 E276	E218-R278 IonicContact OE1-CZ 3.68Å; E218-R278 IonicContact OE1-NH1 3.51Å; E218-R278 PolarHBondContact OE1-NH1 2.86Å; E218-R278 IonicContact OE1-NH2 3.75Å; E218-R278 IonicContact OE2-CZ 3.49Å; E218-R278 IonicContact OE2-NH1 3.7Å; E218-R278 PolarHBondContact OE2-NH1 2.73Å; E218-R278 IonicContact OE2-NH2 2.79Å; E218-R278 PolarHBondContact OE2-NH2 2.82Å; K230-R278 HydrophobicContact CD-CB 4.31Å; K230-R278 PolarHBondContact NZ-O 3.43Å; K230-R278 WeakPolarHBondContact O-CD 3.45Å; K230-R278 PolarHBondContact O-NH1 3.08Å; I233-R278 HydrophobicContact CG2-CB 4.1Å; C270-R278 VanDerWaalsContact O-CD 3.23Å; C270-R278 WeakPolarHBondContact O-CD 3.34Å; C270-R278 PolarHBondContact O-NE 3.49Å; Q272-R278 HydrophobicContact CB-CG 3.9Å; Q272-R278 PolarHBondContact O-NE 3.03Å; Q272-R278 PolarHBondContact O-NH2 3.44Å; Q273-R278 PolarHBondContact O-NH2 2.79Å; P275-R278 WeakPolarHBondContact O-CB 3.36Å; P275-R278 PolarHBondContact O-N 3.04Å; E276-R278 VanDerWaalsContact C-N 3.32Å
279	P	97.5	Very high	94.7	Very high	18 Å²	18	50.5 Å²	50.5	12%	0.117	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-65.8	161.7	175.4	27.4	-33.9	0	0	0	111.6	K230 I233 L269 L284	K230-P279 PolarHBondContact NZ-O 2.78Å; K230-P279 VanDerWaalsContact NZ-O 3.14Å; I233-P279 HydrophobicContact CG2-CG 4.4Å; L269-P279 HydrophobicContact CB-CG 4.33Å; L269-P279 WeakPolarHBondContact O-CD 3.28Å; P279-L284 HydrophobicContact CB-CB 4.39Å; P279-L284 HydrophobicContact CG-CB 4.22Å; P279-L284 HydrophobicContact CG-CD1 3.77Å
280	S	97.3	Very high	94.5	Very high	47 Å²	47	47.5 Å²	47.5	33%	0.329	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-74.1	163.8	163.7	66.1	0	0	0	0	109.8	S282 S283 L284	S280-S282 VanDerWaalsContact C-N 3.29Å; S280-S282 PolarHBondContact O-N 3.48Å; S280-S283 PolarHBondContact O-N 3.29Å; S280-S283 VanDerWaalsContact OG-CB 3.28Å; S280-S283 WeakPolarHBondContact OG-CB 3.43Å; S280-S283 PolarHBondContact OG-N 3.04Å; S280-S283 VanDerWaalsContact OG-N 3.08Å; S280-L284 VanDerWaalsContact O-CB 3.27Å; S280-L284 WeakPolarHBondContact O-CB 3.21Å; S280-L284 PolarHBondContact O-N 2.99Å
281	A	96.7	Very high	93.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-40.9	174.9	0	0	0	0	0	112	V151 N155 Y158 I233 L284 L285	V151-A281 HydrophobicContact CG1-CB 4.12Å; N155-A281 HydrophobicContact CB-CB 3.73Å; Y158-A281 HydrophobicContact CD2-CB 3.82Å; Y158-A281 HydrophobicContact CE2-CB 3.69Å; I233-A281 HydrophobicContact CD1-CB 4.15Å; A281-L284 WeakPolarHBondContact O-CB 3.31Å; A281-L284 PolarHBondContact O-N 2.93Å; A281-L285 WeakPolarHBondContact O-CG 3.45Å; A281-L285 PolarHBondContact O-N 2.65Å
282	S	96.1	Very high	92.5	Very high	33 Å²	33	56.7 Å²	56.7	23%	0.231	30%	0.297	C	S	.	.	H	α-helix	trans	-60.4	-47	174.2	-171.7	0	0	0	0	112.9	N155 S280 L284 L285 S286	N155-S282 PolarHBondContact OD1-N 3Å; S280-S282 VanDerWaalsContact C-N 3.29Å; S280-S282 PolarHBondContact O-N 3.48Å; S282-L284 VanDerWaalsContact C-N 3.32Å; S282-L284 PolarHBondContact O-N 3.49Å; S282-L285 PolarHBondContact O-N 3.1Å; S282-S286 PolarHBondContact O-N 3.14Å
283	S	95.9	Very high	91.4	Very high	62 Å²	62	54.4 Å²	54.4	43%	0.434	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-40	176.5	174	0	0	0	0	111.4	S280 L285 S286	S280-S283 PolarHBondContact O-N 3.29Å; S280-S283 VanDerWaalsContact OG-CB 3.28Å; S280-S283 WeakPolarHBondContact OG-CB 3.43Å; S280-S283 PolarHBondContact OG-N 3.04Å; S280-S283 VanDerWaalsContact OG-N 3.08Å; S283-L285 VanDerWaalsContact C-N 3.34Å; S283-L285 PolarHBondContact O-N 3.12Å; S283-S286 WeakPolarHBondContact O-CB 3.29Å; S283-S286 PolarHBondContact O-N 3.43Å
284	L	95.1	Very high	90	Very high	2 Å²	2	56 Å²	56	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-39.8	177.3	-169.7	63.9	0	0	0	111.6	V151 I233 V236 L266 P279 S280 A281 S282 S286 H287 F290	V151-L284 HydrophobicContact CG1-CB 4.44Å; V151-L284 HydrophobicContact CG1-CD2 4.17Å; V151-L284 HydrophobicContact CG2-CD2 4.09Å; I233-L284 HydrophobicContact CD1-CD2 4.31Å; V236-L284 HydrophobicContact CG1-CD2 4.18Å; L266-L284 HydrophobicContact CD1-CD1 3.4Å; L266-L284 HydrophobicContact CD1-CG 4.21Å; L266-L284 HydrophobicContact CG-CD1 4.33Å; P279-L284 HydrophobicContact CB-CB 4.39Å; P279-L284 HydrophobicContact CG-CB 4.22Å; P279-L284 HydrophobicContact CG-CD1 3.77Å; S280-L284 VanDerWaalsContact O-CB 3.27Å; S280-L284 WeakPolarHBondContact O-CB 3.21Å; S280-L284 PolarHBondContact O-N 2.99Å; A281-L284 WeakPolarHBondContact O-CB 3.31Å; A281-L284 PolarHBondContact O-N 2.93Å; S282-L284 VanDerWaalsContact C-N 3.32Å; S282-L284 PolarHBondContact O-N 3.49Å; L284-S286 PolarHBondContact O-N 3.22Å; L284-H287 WeakPolarHBondContact O-CB 3.39Å; L284-H287 PolarHBondContact O-N 2.83Å; L284-F290 HydrophobicContact CG-CE2 4.26Å; L284-F290 WeakPolarHBondContact O-CD2 3.47Å; L284-F290 WeakPolarHBondContact O-CE2 3.23Å
285	L	94.1	Very high	88.1	Confident	21 Å²	21	61 Å²	61	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-19.9	174.5	-72	167.5	0	0	0	113.7	F148 V151 R152 N155 A281 S282 S283	F148-L285 HydrophobicContact CD2-CD2 3.77Å; F148-L285 HydrophobicContact CE2-CD2 3.84Å; V151-L285 HydrophobicContact CB-CD2 3.93Å; V151-L285 HydrophobicContact CB-CG 4.41Å; V151-L285 HydrophobicContact CG1-CD1 4.36Å; V151-L285 HydrophobicContact CG1-CD2 3.78Å; V151-L285 HydrophobicContact CG1-CG 3.7Å; R152-L285 HydrophobicContact CG-CD1 4.07Å; R152-L285 HydrophobicContact CG-CD2 3.86Å; N155-L285 HydrophobicContact CB-CD1 4.3Å; A281-L285 WeakPolarHBondContact O-CG 3.45Å; A281-L285 PolarHBondContact O-N 2.65Å; S282-L285 PolarHBondContact O-N 3.1Å; S283-L285 VanDerWaalsContact C-N 3.34Å; S283-L285 PolarHBondContact O-N 3.12Å
286	S	92.5	Very high	86.2	Confident	84 Å²	84	63.2 Å²	63.2	59%	0.587	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-2.9	176.6	-59.1	0	0	0	0	113.3	S282 S283 L284	S282-S286 PolarHBondContact O-N 3.14Å; S283-S286 WeakPolarHBondContact O-CB 3.29Å; S283-S286 PolarHBondContact O-N 3.43Å; L284-S286 PolarHBondContact O-N 3.22Å
287	H	92.3	Very high	84.5	Confident	31 Å²	31	60.1 Å²	60.1	14%	0.144	31%	0.314	C	S	.	.	S	Bend	trans	-63.7	150.8	179.5	-173.1	-103.5	0	0	0	112.2	S265 L266 L269 L284 F289 F290 K291	S265-H287 PolarHBondContact OG-CE1 2.66Å; S265-H287 VanDerWaalsContact OG-CE1 3.31Å; L266-H287 HydrophobicContact CD1-CB 4.29Å; L269-H287 VanDerWaalsContact CD1-CD2 3.49Å; L269-H287 WeakPolarHBondContact CD1-CD2 3.16Å; L284-H287 WeakPolarHBondContact O-CB 3.39Å; L284-H287 PolarHBondContact O-N 2.83Å; H287-F289 VanDerWaalsContact ND1-CB 3.26Å; H287-F289 WeakPolarHBondContact ND1-CB 3.43Å; H287-F289 PolarHBondContact ND1-N 3.09Å; H287-F289 PolarHBondContact O-N 2.74Å; H287-F290 HydrophobicContact CB-CD2 4.47Å; H287-F290 PolarHBondContact O-N 3.49Å; H287-K291 PolarHBondContact O-N 2.73Å
288	V	89.7	Confident	82.8	Confident	87 Å²	87	58.7 Å²	58.7	53%	0.527	31%	0.309	S	S	.	.	H	α-helix	trans	-54	-32.1	-178.2	-63.8	0	0	0	0	113.1	F290 K291	V288-F290 PolarHBondContact O-N 3.29Å; V288-K291 WeakPolarHBondContact O-CB 3.13Å; V288-K291 PolarHBondContact O-N 2.66Å; V288-K291 VanDerWaalsContact O-N 3.12Å
289	F	89.6	Confident	81.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-56.6	-34.4	176	-176.2	-104.3	0	0	0	113.1	K140 I143 R144 L147 T263 L266 H287	K140-F289 HydrophobicContact CG-CE2 4.01Å; I143-F289 HydrophobicContact CG2-CZ 4.13Å; R144-F289 HydrophobicContact CB-CE1 3.82Å; R144-F289 HydrophobicContact CB-CZ 3.8Å; R144-F289 WeakPolarHBondContact CD-O 3.46Å; R144-F289 HydrophobicContact CG-CD1 4.26Å; R144-F289 HydrophobicContact CG-CE1 4.03Å; R144-F289 HydrophobicContact CG-CZ 4.4Å; R144-F289 WeakPolarHBondContact CG-O 3.21Å; R144-F289 PolarHBondContact NE-O 2.87Å; L147-F289 HydrophobicContact CD1-CE1 4.12Å; T263-F289 HydrophobicContact CG2-CE2 4.45Å; L266-F289 HydrophobicContact CD1-CB 4.22Å; L266-F289 HydrophobicContact CD1-CD1 4.37Å; L266-F289 HydrophobicContact CD2-CD1 3.7Å; L266-F289 HydrophobicContact CD2-CE1 3.88Å; L266-F289 HydrophobicContact CD2-CG 4.16Å; H287-F289 VanDerWaalsContact ND1-CB 3.26Å; H287-F289 WeakPolarHBondContact ND1-CB 3.43Å; H287-F289 PolarHBondContact ND1-N 3.09Å; H287-F289 PolarHBondContact O-N 2.74Å
290	F	89.9	Confident	79.9	Confident	2 Å²	2	64 Å²	64	1%	0.009	34%	0.339	C	S	.	.	H	α-helix	trans	-98.7	-1.4	179.4	-60.4	-64.3	0	0	0	113.9	R144 L147 F148 V151 L266 L284 H287 V288 Q292 M293	R144-F290 HydrophobicContact CG-CD1 3.97Å; R144-F290 HydrophobicContact CG-CE1 4.46Å; L147-F290 HydrophobicContact CB-CE1 3.89Å; L147-F290 HydrophobicContact CB-CZ 3.95Å; F148-F290 HydrophobicContact CB-CD1 3.79Å; F148-F290 HydrophobicContact CB-CE1 3.9Å; F148-F290 HydrophobicContact CD2-CB 3.99Å; F148-F290 AromaticContact CD2-CD1 3.68Å; F148-F290 HydrophobicContact CD2-CD1 3.68Å; F148-F290 HydrophobicContact CD2-CE1 4.38Å; F148-F290 AromaticContact CD2-CG 3.94Å; F148-F290 HydrophobicContact CD2-CG 3.94Å; F148-F290 HydrophobicContact CE2-CB 4.35Å; F148-F290 HydrophobicContact CG-CD1 4.22Å; V151-F290 HydrophobicContact CG2-CZ 4.47Å; L266-F290 HydrophobicContact CD1-CE2 3.99Å; L284-F290 HydrophobicContact CG-CE2 4.26Å; L284-F290 WeakPolarHBondContact O-CD2 3.47Å; L284-F290 WeakPolarHBondContact O-CE2 3.23Å; H287-F290 HydrophobicContact CB-CD2 4.47Å; H287-F290 PolarHBondContact O-N 3.49Å; V288-F290 PolarHBondContact O-N 3.29Å; F290-Q292 PolarHBondContact O-N 3.22Å; F290-M293 HydrophobicContact CD1-CG 4.44Å; F290-M293 VanDerWaalsContact O-CB 3.28Å; F290-M293 WeakPolarHBondContact O-CB 3.38Å; F290-M293 PolarHBondContact O-N 3.36Å
291	K	79.7	Confident	79.2	Confident	153 Å²	153	62 Å²	62	67%	0.665	33%	0.325	S	S	*	.	H	α-helix	trans	-58.2	-37	-176.6	-169.6	177.4	177.1	-176.1	0	112.4	H287 V288 M293 K294	H287-K291 PolarHBondContact O-N 2.73Å; V288-K291 WeakPolarHBondContact O-CB 3.13Å; V288-K291 PolarHBondContact O-N 2.66Å; V288-K291 VanDerWaalsContact O-N 3.12Å; K291-M293 VanDerWaalsContact C-N 3.26Å; K291-M293 PolarHBondContact O-N 2.79Å; K291-K294 PolarHBondContact O-N 3Å
292	Q	70.8	Confident	78.8	Confident	86 Å²	86	64.6 Å²	64.6	40%	0.402	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-66.3	-22.8	177.2	-68.1	177.5	-10.7	0	0	113.4	F290 K294 E295 E296	F290-Q292 PolarHBondContact O-N 3.22Å; Q292-K294 VanDerWaalsContact C-N 3.25Å; Q292-K294 PolarHBondContact O-N 3.42Å; Q292-E295 PolarHBondContact O-N 2.84Å; Q292-E296 PolarHBondContact O-N 3.26Å
293	M	70.8	Confident	78.4	Confident	22 Å²	22	67.6 Å²	67.6	11%	0.108	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-70.6	-19.5	179.1	-67.2	-63	-51.6	0	0	113.6	R144 N145 F148 F290 K291 E295	R144-M293 HydrophobicContact CG-CG 3.74Å; R144-M293 HydrophobicContact CG-SD 3.86Å; N145-M293 HydrophobicContact CB-SD 4.48Å; N145-M293 WeakPolarHBondContact OD1-CE 3.28Å; N145-M293 PolarHBondContact OD1-SD 3.06Å; F148-M293 HydrophobicContact CB-CE 4.16Å; F148-M293 HydrophobicContact CB-CG 4.06Å; F148-M293 HydrophobicContact CB-SD 4.45Å; F148-M293 HydrophobicContact CD1-CB 4.28Å; F148-M293 HydrophobicContact CD1-CE 3.69Å; F148-M293 HydrophobicContact CD1-CG 4.33Å; F148-M293 HydrophobicContact CD2-CB 4.06Å; F148-M293 HydrophobicContact CD2-CG 4.01Å; F148-M293 HydrophobicContact CE1-CB 4.28Å; F148-M293 HydrophobicContact CE1-CE 4.3Å; F148-M293 HydrophobicContact CE2-CB 4.07Å; F148-M293 HydrophobicContact CG-CB 4.15Å; F148-M293 HydrophobicContact CG-CE 4.04Å; F148-M293 HydrophobicContact CG-CG 3.88Å; F148-M293 HydrophobicContact CZ-CB 4.18Å; F290-M293 HydrophobicContact CD1-CG 4.44Å; F290-M293 VanDerWaalsContact O-CB 3.28Å; F290-M293 WeakPolarHBondContact O-CB 3.38Å; F290-M293 PolarHBondContact O-N 3.36Å; K291-M293 VanDerWaalsContact C-N 3.26Å; K291-M293 PolarHBondContact O-N 2.79Å; M293-E295 PolarHBondContact O-N 2.64Å
294	K	61.4	Low	78	Confident	167 Å²	167	67.1 Å²	67.1	73%	0.726	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-70.1	-12	176.2	-66	-175.1	179.6	-178.4	0	112.1	K291 Q292	K291-K294 PolarHBondContact O-N 3Å; Q292-K294 VanDerWaalsContact C-N 3.25Å; Q292-K294 PolarHBondContact O-N 3.42Å
295	E	54.1	Low	77.7	Confident	175 Å²	175	67.9 Å²	67.9	82%	0.818	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-18	-176.8	-66.6	169.5	-171.8	0	0	113.1	Q292 M293	Q292-E295 PolarHBondContact O-N 2.84Å; M293-E295 PolarHBondContact O-N 2.64Å
296	E	55.9	Low	77.5	Confident	68 Å²	68	67.9 Å²	67.9	32%	0.318	36%	0.357	S	S	.	.			trans	-96.7	135	-176.5	-70.4	177.3	-175.9	0	0	113.1	Q292	Q292-E296 PolarHBondContact O-N 3.26Å
297	S	60	Low	77.1	Confident	65 Å²	65	69.3 Å²	69.3	46%	0.455	36%	0.364	S	S	.	.			trans	-82.8	165.5	174.7	69.8	0	0	0	0	112.3	D299 S300	S297-D299 PolarHBondContact O-N 3.48Å; S297-D299 VanDerWaalsContact O-N 3.08Å; S297-D299 WeakPolarHBondContact OG-CB 3.48Å; S297-D299 PolarHBondContact OG-OD2 2.92Å; S297-S300 VanDerWaalsContact O-CB 3.32Å; S297-S300 WeakPolarHBondContact O-CB 3.47Å; S297-S300 PolarHBondContact O-N 3.39Å; S297-S300 PolarHBondContact O-OG 3.37Å
298	Q	61.6	Low	76.6	Confident	106 Å²	106	68.8 Å²	68.8	50%	0.495	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.6	175	-67.7	178.9	-79.9	0	0	113.3	S300 V301	Q298-S300 PolarHBondContact O-N 3.18Å; Q298-V301 PolarHBondContact O-N 2.83Å
299	D	61.7	Low	75.7	Confident	111 Å²	111	69.2 Å²	69.2	59%	0.594	36%	0.358	S	S	*	.	H	α-helix	trans	-61.9	-24.6	175.4	-50.3	-56.2	0	0	0	112.5	S297 V301 L302 S303	S297-D299 PolarHBondContact O-N 3.48Å; S297-D299 VanDerWaalsContact O-N 3.08Å; S297-D299 WeakPolarHBondContact OG-CB 3.48Å; S297-D299 PolarHBondContact OG-OD2 2.92Å; D299-V301 VanDerWaalsContact C-N 3.32Å; D299-V301 PolarHBondContact O-N 3.03Å; D299-L302 PolarHBondContact O-N 3.03Å; D299-S303 PolarHBondContact O-N 2.76Å
300	S	73.1	Confident	74.2	Confident	23 Å²	23	75.7 Å²	75.7	16%	0.161	39%	0.393	C	S	.	.	H	α-helix	trans	-63.6	-39.2	177	76.3	0	0	0	0	111.5	N145 S297 Q298 S303 L304	N145-S300 PolarHBondContact OD1-OG 3.33Å; S297-S300 VanDerWaalsContact O-CB 3.32Å; S297-S300 WeakPolarHBondContact O-CB 3.47Å; S297-S300 PolarHBondContact O-N 3.39Å; S297-S300 PolarHBondContact O-OG 3.37Å; Q298-S300 PolarHBondContact O-N 3.18Å; S300-S303 PolarHBondContact O-N 2.8Å; S300-S303 PolarHBondContact O-OG 3.29Å; S300-L304 WeakPolarHBondContact O-CG 3.32Å
301	V	82.4	Confident	71.9	Confident	5 Å²	5	81.4 Å²	81.4	3%	0.03	42%	0.418	C	S	.	.	H	α-helix	trans	-65.2	-45.5	179.3	-173.4	0	0	0	0	110.8	L142 N145 Q298 D299 S303 L304 L305	L142-V301 HydrophobicContact CD1-CG1 4.4Å; N145-V301 HydrophobicContact CB-CG2 3.56Å; N145-V301 VanDerWaalsContact CG-CG2 3.46Å; N145-V301 VanDerWaalsContact OD1-CG2 3.23Å; N145-V301 WeakPolarHBondContact OD1-CG2 3.44Å; Q298-V301 PolarHBondContact O-N 2.83Å; D299-V301 VanDerWaalsContact C-N 3.32Å; D299-V301 PolarHBondContact O-N 3.03Å; V301-S303 PolarHBondContact O-N 3.42Å; V301-L304 PolarHBondContact O-N 2.76Å; V301-L305 HydrophobicContact CG1-CD1 3.81Å; V301-L305 HydrophobicContact CG1-CG 4.32Å; V301-L305 WeakPolarHBondContact O-CG 3.25Å; V301-L305 PolarHBondContact O-N 2.88Å
302	L	87.5	Confident	69.8	Low	53 Å²	53	79 Å²	79	28%	0.277	42%	0.417	S	S	.	.	H	α-helix	trans	-61.3	-35.4	-178	-66.6	178.5	0	0	0	111.8	Y123 G176 D299 L304 L305	Y123-L302 HydrophobicContact CE2-CD2 3.79Å; G176-L302 WeakPolarHBondContact O-CD2 3.31Å; D299-L302 PolarHBondContact O-N 3.03Å; L302-L304 PolarHBondContact O-N 3.2Å; L302-L305 PolarHBondContact O-N 3.1Å
303	S	87.4	Confident	68.1	Low	96 Å²	96	80.6 Å²	80.6	67%	0.671	44%	0.438	S	S	*	.	H	α-helix	trans	-65.8	-20.7	176.2	79.2	0	0	0	0	114.4	D299 S300 V301	D299-S303 PolarHBondContact O-N 2.76Å; S300-S303 PolarHBondContact O-N 2.8Å; S300-S303 PolarHBondContact O-OG 3.29Å; V301-S303 PolarHBondContact O-N 3.42Å
304	L	87.8	Confident	66.3	Low	52 Å²	52	84.6 Å²	84.6	27%	0.272	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-6.8	-177.1	-61.4	171.7	0	0	0	112.9	T141 L142 S300 V301 L302	T141-L304 HydrophobicContact CG2-CD1 3.6Å; L142-L304 HydrophobicContact CB-CB 4.4Å; L142-L304 HydrophobicContact CB-CD1 4.28Å; L142-L304 HydrophobicContact CD1-CB 4.25Å; S300-L304 WeakPolarHBondContact O-CG 3.32Å; V301-L304 PolarHBondContact O-N 2.76Å; L302-L304 PolarHBondContact O-N 3.2Å
305	L	89.8	Confident	65	Low	18 Å²	18	81.9 Å²	81.9	9%	0.094	46%	0.461	C	S	.	.	S	Bend	trans	-99.9	152.7	-177.3	-70.7	174.5	0	0	0	111	Y123 L129 L142 I174 V301 L302	Y123-L305 HydrophobicContact CD1-CB 4.13Å; Y123-L305 HydrophobicContact CD1-CD1 3.98Å; Y123-L305 HydrophobicContact CD1-CG 4.46Å; Y123-L305 HydrophobicContact CD2-CD1 3.9Å; Y123-L305 HydrophobicContact CE1-CB 3.55Å; Y123-L305 HydrophobicContact CE1-CD1 3.93Å; Y123-L305 HydrophobicContact CE1-CG 4.28Å; Y123-L305 HydrophobicContact CE2-CD1 3.84Å; Y123-L305 HydrophobicContact CG-CD1 3.95Å; L129-L305 HydrophobicContact CD1-CD2 3.64Å; L129-L305 HydrophobicContact CD2-CD2 4.47Å; L142-L305 HydrophobicContact CD1-CD2 3.9Å; L142-L305 HydrophobicContact CD1-CG 4.34Å; L142-L305 HydrophobicContact CD2-CD2 4.21Å; I174-L305 HydrophobicContact CG2-CD1 3.92Å; V301-L305 HydrophobicContact CG1-CD1 3.81Å; V301-L305 HydrophobicContact CG1-CG 4.32Å; V301-L305 WeakPolarHBondContact O-CG 3.25Å; V301-L305 PolarHBondContact O-N 2.88Å; L302-L305 PolarHBondContact O-N 3.1Å
306	P	88.6	Confident	64.1	Low	21 Å²	21	78.3 Å²	78.3	14%	0.136	45%	0.447	C	S	.	.			trans	-61	177.7	169.1	28.8	-36.7	0	0	0	111	Y123 L129 Y133 A308	Y123-P306 WeakPolarHBondContact CE1-O 3.45Å; Y123-P306 PolarHBondContact OH-O 3.01Å; L129-P306 HydrophobicContact CD2-CG 3.98Å; Y133-P306 HydrophobicContact CD1-CB 3.81Å; Y133-P306 HydrophobicContact CD1-CG 4.02Å; Y133-P306 HydrophobicContact CD2-CB 4.28Å; Y133-P306 HydrophobicContact CD2-CG 3.58Å; Y133-P306 HydrophobicContact CE1-CB 3.7Å; Y133-P306 HydrophobicContact CE1-CG 4.06Å; Y133-P306 HydrophobicContact CE2-CB 4.18Å; Y133-P306 HydrophobicContact CE2-CG 3.63Å; Y133-P306 HydrophobicContact CG-CB 4.09Å; Y133-P306 HydrophobicContact CG-CG 3.78Å; P306-A308 PolarHBondContact O-N 2.83Å
307	P	85.8	Confident	63.1	Low	114 Å²	114	80.1 Å²	80.1	74%	0.74	46%	0.464	S	S	*	.			trans	-56.2	131.8	166.3	-24.6	35.1	0	0	0	110.4
308	A	82	Confident	61.8	Low	21 Å²	21	82.8 Å²	82.8	17%	0.174	48%	0.48	C	S	.	.			trans	-57.6	158.3	175.6	0	0	0	0	0	110.8	A122 Y123 P306 N310	A122-A308 HydrophobicContact CB-CB 4.15Å; Y123-A308 HydrophobicContact CD1-CB 4.41Å; Y123-A308 HydrophobicContact CD2-CB 4.37Å; Y123-A308 HydrophobicContact CE1-CB 3.87Å; Y123-A308 HydrophobicContact CE2-CB 3.86Å; P306-A308 PolarHBondContact O-N 2.83Å; A308-N310 VanDerWaalsContact C-N 3.3Å; A308-N310 PolarHBondContact O-N 3.15Å
309	Y	70.1	Confident	60.7	Low	95 Å²	95	83.2 Å²	83.2	37%	0.373	49%	0.49	S	S	.	.			trans	-63.6	94.1	174	-168.2	-92.1	0	0	0	110.4	L58 F120 A122 K311	L58-Y309 HydrophobicContact CD2-CE1 4.26Å; F120-Y309 HydrophobicContact CZ-CD1 4.16Å; A122-Y309 WeakPolarHBondContact O-CB 3.32Å; A122-Y309 PolarHBondContact O-N 2.96Å; Y309-K311 HydrophobicContact CD1-CB 4.4Å; Y309-K311 HydrophobicContact CE1-CB 3.64Å; Y309-K311 WeakPolarHBondContact OH-CD 3.24Å
310	N	57.7	Low	59.6	Low	137 Å²	137	85.2 Å²	85.2	73%	0.733	50%	0.5	S	S	*	.			trans	-111.2	76	168.3	-72.8	-16.7	0	0	0	106.4	A308 P312	A308-N310 VanDerWaalsContact C-N 3.3Å; A308-N310 PolarHBondContact O-N 3.15Å; N310-P312 VanDerWaalsContact O-CD 3.31Å; N310-P312 WeakPolarHBondContact O-CD 3.33Å
311	K	42.9	Very low	58.2	Low	122 Å²	122	88.7 Å²	88.7	53%	0.53	52%	0.522	S	S	.	.			trans	-66.5	122.9	168.7	-150	-174.8	-164.2	176.6	0	107	Y309 I314	Y309-K311 HydrophobicContact CD1-CB 4.4Å; Y309-K311 HydrophobicContact CE1-CB 3.64Å; Y309-K311 WeakPolarHBondContact OH-CD 3.24Å; K311-I314 HydrophobicContact CD-CD1 4.46Å
312	P	34.9	Very low	56.5	Low	101 Å²	101	94 Å²	94	66%	0.656	54%	0.541	S	S	*	.			trans	-61.9	152.4	173.9	-7.6	20.3	0	0	0	108.9	N310 I314	N310-P312 VanDerWaalsContact O-CD 3.31Å; N310-P312 WeakPolarHBondContact O-CD 3.33Å; P312-I314 PolarHBondContact O-N 3.24Å
313	S	35.8	Very low	54.7	Low	120 Å²	120	96.4 Å²	96.4	84%	0.839	56%	0.558	S	S	*	*			trans	-54	86.7	166.1	49.4	0	0	0	0	110.2	S315	S313-S315 PolarHBondContact O-N 2.66Å
314	I	31.8	Very low	52.6	Low	107 Å²	107	99.2 Å²	99.2	55%	0.549	56%	0.561	S	S	.	*			trans	-63.1	125.7	158.2	-63.4	171.4	0	0	0	104.4	K311 P312 L316	K311-I314 HydrophobicContact CD-CD1 4.46Å; P312-I314 PolarHBondContact O-N 3.24Å; I314-L316 PolarHBondContact O-N 3.14Å
315	S	34.4	Very low	50.5	Low	109 Å²	109	100.5 Å²	100.5	76%	0.762	57%	0.573	S	S	*	*			trans	-47.9	109.7	172.9	50	0	0	0	0	108.5	S313	S313-S315 PolarHBondContact O-N 2.66Å
316	L	35.4	Very low	47.9	Very low	101 Å²	101	108.7 Å²	108.7	53%	0.529	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-66.2	138.1	-175.6	-70.7	161.5	0	0	0	108.7	E41 I314	E41-L316 VanDerWaalsContact OE1-CD1 3.32Å; E41-L316 WeakPolarHBondContact OE1-CD1 3.4Å; I314-L316 PolarHBondContact O-N 3.14Å
317	P	33.6	Very low	45.4	Very low	105 Å²	105	114.1 Å²	114.1	68%	0.682	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-57	156.7	157.1	26.1	-30.4	0	0	0	109.2	V319	P317-V319 PolarHBondContact O-N 3.45Å
318	P	32.9	Very low	42.8	Very low	121 Å²	121	111.6 Å²	111.6	79%	0.786	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-54.5	138.9	-172.5	20.6	-31	0	0	0	111.8	L320	P318-L320 PolarHBondContact O-N 2.9Å; P318-L320 VanDerWaalsContact O-N 3.16Å
319	V	39.4	Very low	40.5	Very low	116 Å²	116	120.2 Å²	120.2	70%	0.703	68%	0.676	S	S	*	*			trans	-45	115.6	176.1	179.5	0	0	0	0	109.7	P317	P317-V319 PolarHBondContact O-N 3.45Å
320	L	37.9	Very low	38.6	Very low	152 Å²	152	121.5 Å²	121.5	80%	0.796	70%	0.696	S	S	*	*			trans	-82.9	123.5	161.5	-70.8	171.9	0	0	0	107	P318 W322	P318-L320 PolarHBondContact O-N 2.9Å; P318-L320 VanDerWaalsContact O-N 3.16Å; L320-W322 PolarHBondContact O-N 3.47Å
321	P	44.7	Very low	37.5	Very low	97 Å²	97	122.9 Å²	122.9	63%	0.63	70%	0.703	S	S	*	*			trans	-53.8	142.7	163.5	6.6	-3.5	0	0	0	107.8	T323	P321-T323 PolarHBondContact O-N 2.9Å
322	W	45.4	Very low	37.4	Very low	116 Å²	116	126.2 Å²	126.2	44%	0.439	72%	0.721	S	S	.	*			trans	-52.4	104.8	171.5	-88.5	106.3	0	0	0	110.3	V37 L42 I72 W115 L320	V37-W322 HydrophobicContact CG1-CB 4.41Å; V37-W322 HydrophobicContact CG1-CG 4.12Å; L42-W322 HydrophobicContact CB-CZ2 4.27Å; L42-W322 HydrophobicContact CD1-CH2 3.14Å; L42-W322 HydrophobicContact CD1-CZ2 2.88Å; L42-W322 HydrophobicContact CD1-CZ3 4.28Å; L42-W322 HydrophobicContact CD2-CZ2 3.92Å; L42-W322 HydrophobicContact CG-CH2 3.94Å; L42-W322 HydrophobicContact CG-CZ2 3.12Å; I72-W322 HydrophobicContact CD1-CH2 3.25Å; I72-W322 HydrophobicContact CD1-CZ2 3.36Å; I72-W322 HydrophobicContact CD1-CZ3 4.43Å; W115-W322 HydrophobicContact CH2-CD2 4.32Å; W115-W322 AromaticContact CH2-CE2 3.42Å; W115-W322 VanDerWaalsContact CH2-CE2 3.42Å; W115-W322 HydrophobicContact CH2-CH2 4.31Å; W115-W322 AromaticContact CH2-CZ2 3.28Å; W115-W322 HydrophobicContact CH2-CZ2 3.28Å; W115-W322 AromaticContact CH2-NE1 3.48Å; W115-W322 HydrophobicContact CZ2-CD2 4.34Å; W115-W322 AromaticContact CZ2-CE2 3.81Å; W115-W322 HydrophobicContact CZ2-CH2 4.23Å; W115-W322 AromaticContact CZ2-CZ2 3.59Å; W115-W322 HydrophobicContact CZ2-CZ2 3.59Å; W115-W322 HydrophobicContact CZ3-CZ2 4.29Å; L320-W322 PolarHBondContact O-N 3.47Å
323	T	50	Low	37.1	Very low	103 Å²	103	130.5 Å²	130.5	63%	0.632	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-100.2	141.3	165.9	45.4	0	0	0	0	107.4	P321	P321-T323 PolarHBondContact O-N 2.9Å
324	E	44.8	Very low	37	Very low	156 Å²	156	131.9 Å²	131.9	73%	0.729	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-50.4	129	172.1	-68.2	-178	157.6	0	0	109.1	E326	E324-E326 PolarHBondContact O-N 3.13Å
325	P	42.5	Very low	36.9	Very low	79 Å²	79	131.1 Å²	131.1	51%	0.513	73%	0.731	S	S	.	*	P	Polyproline II helix	trans	-65.4	124.1	-179.7	22.7	-29.4	0	0	0	109.6	W113 C327	W113-P325 HydrophobicContact CH2-CG 3.86Å; W113-P325 HydrophobicContact CZ2-CG 3.87Å; P325-C327 PolarHBondContact O-N 3.26Å
326	E	34.9	Very low	36.7	Very low	189 Å²	189	135.2 Å²	135.2	88%	0.883	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-62.9	133.2	172.1	-71.4	-173	164	0	0	110.1	E324 G328	E324-E326 PolarHBondContact O-N 3.13Å; E326-G328 VanDerWaalsContact C-N 3.32Å; E326-G328 PolarHBondContact O-N 3.46Å
327	C	35.9	Very low	36.6	Very low	135 Å²	135	136.2 Å²	136.2	91%	0.912	73%	0.728	S	S	*	*			trans	-67.1	82.4	179	-71.8	0	0	0	0	111.5	P325	P325-C327 PolarHBondContact O-N 3.26Å
328	G	31.1	Very low	36.8	Very low	61 Å²	61	133.9 Å²	133.9	63%	0.629	71%	0.708	S	S	*	*			trans	-124.9	111.1	168.2	0	0	0	0	0	110.4	E326 P330	E326-G328 VanDerWaalsContact C-N 3.32Å; E326-G328 PolarHBondContact O-N 3.46Å; G328-P330 WeakPolarHBondContact O-CD 3.48Å
329	F	33.6	Very low	37.1	Very low	203 Å²	203	130.6 Å²	130.6	89%	0.89	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-76.2	124	171.9	-65.2	-87.2	0	0	0	109.5
330	P	32.2	Very low	37	Very low	122 Å²	122	131.3 Å²	131.3	79%	0.792	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-79.8	140.3	158.9	-2.9	21.7	0	0	0	109.3	G328	G328-P330 WeakPolarHBondContact O-CD 3.48Å
331	D	32.6	Very low	36.9	Very low	166 Å²	166	130.2 Å²	130.2	89%	0.888	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-50.7	145.9	-178.5	-85.5	-43	0	0	0	114.5	K333	D331-K333 PolarHBondContact O-N 3.3Å
332	E	41.2	Very low	36.5	Very low	192 Å²	192	132.1 Å²	132.1	90%	0.897	68%	0.677	S	S	*	*			trans	-53.7	95.7	173.7	-73.1	-177.6	136.6	0	0	112.5
333	K	29	Very low	36	Very low	191 Å²	191	133 Å²	133	83%	0.83	69%	0.691	S	S	*	*			trans	-144.2	116.1	147.9	-73.1	-164.1	177.5	172.8	0	111.1	D331	D331-K333 PolarHBondContact O-N 3.3Å
334	D	34.5	Very low	35.1	Very low	148 Å²	148	134.9 Å²	134.9	79%	0.791	69%	0.694	S	S	*	*			trans	46.1	105.5	159	-66.5	-37.6	0	0	0	119.5
335	S	29.6	Very low	34.5	Very low	92 Å²	92	133.5 Å²	133.5	64%	0.643	69%	0.692	S	S	*	*			trans	-175.5	105.4	133.2	43.6	0	0	0	0	111.5	W337	S335-W337 PolarHBondContact O-N 3.43Å; S335-W337 VanDerWaalsContact O-N 3.14Å
336	Y	30.2	Very low	33.9	Very low	195 Å²	195	137.4 Å²	137.4	77%	0.765	71%	0.705	S	S	*	*			trans	-81.6	84.2	174.6	-78.4	-88.6	0	0	0	110.8	R131	R131-Y336 PolarHBondContact NH1-O 3.26Å
337	W	32.1	Very low	33.8	Very low	121 Å²	121	133.4 Å²	133.4	46%	0.458	69%	0.691	S	S	.	*			trans	-111.3	103.8	168.9	-57.7	118	0	0	0	110.3	S335	S335-W337 PolarHBondContact O-N 3.43Å; S335-W337 VanDerWaalsContact O-N 3.14Å
338	E	37.7	Very low	33.6	Very low	56 Å²	56	133.3 Å²	133.3	26%	0.262	67%	0.673	S	S	.	*	B	Isolated β-bridge	trans	-131.1	128.8	168.9	-68.1	-161.6	168.7	0	0	111.5	R48 L210	R48-E338 WeakPolarHBondContact O-CA 3.3Å; L210-E338 WeakPolarHBondContact CD1-OE2 3.23Å
339	F	39.9	Very low	33.9	Very low	52 Å²	52	139.8 Å²	139.8	23%	0.228	68%	0.677	C	S	.	*			trans	-96.5	0	177	-75.4	-97.5	0	0	0	111	I46 R48 S125 Q128 S170 H171 L173	I46-F339 WeakPolarHBondContact O-CE2 3.45Å; I46-F339 WeakPolarHBondContact O-CZ 3.48Å; R48-F339 PolarHBondContact O-N 2.8Å; S125-F339 VanDerWaalsContact OG-CE1 3.26Å; S125-F339 WeakPolarHBondContact OG-CE1 3.38Å; Q128-F339 HydrophobicContact CB-CE1 4.41Å; Q128-F339 HydrophobicContact CB-CZ 4.37Å; S170-F339 VanDerWaalsContact C-OXT 3.31Å; S170-F339 VanDerWaalsContact CB-OXT 3.24Å; S170-F339 WeakPolarHBondContact CB-OXT 3.48Å; S170-F339 PolarHBondContact OG-OXT 3.01Å; H171-F339 PolarHBondContact CD2-OXT 3.47Å; H171-F339 PolarHBondContact NE2-OXT 3.38Å; L173-F339 HydrophobicContact CD2-CD1 4.32Å

Retrieved 339 of 339 residues in 84.4 ms (Link to these results)

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