A0A087XTR4_POEFO Loading...

15-hydroxyprostaglandin dehydrogenase [NAD(+)]

Catalyzes the NAD-dependent dehydrogenation (oxidation) of a broad array of hydroxylated polyunsaturated fatty acids (mainly eicosanoids and docosanoids, including prostaglandins, lipoxins and resolvins), yielding their corresponding keto (oxo) metabolites. Decreases the levels of the pro-proliferative prostaglandins such as prostaglandin E2 (whose activity is increased in cancer because of an increase in the expression of cyclooxygenase 2) and generates oxo-fatty acid products that can profoundly influence cell function by abrogating pro-inflammatory cytokine expression. Converts resolvins E1, D1 and D2 to their oxo products, which represents a mode of resolvin inactivation. Resolvin E1 plays important roles during the resolution phase of acute inflammation, while resolvins D1 and D2 have a unique role in obesity-induced adipose inflammation.

AlphaFold DB , UniProt , Accession A0A087XTR4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 299 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.8	Very low	34.9	Very low	247 Å²	247	122 Å²	122	100%	1.217	91%	0.91	S	S	*	*				0	122.6	0	-85.6	162.4	160.4	0	0	108.4
2	K	41.1	Very low	34.4	Very low	204 Å²	204	118.5 Å²	118.5	89%	0.887	90%	0.903	S	S	*	*			trans	29.1	108.7	168.9	-68.9	179.5	173	179.6	0	118.6
3	K	38.8	Very low	34.1	Very low	214 Å²	214	115.2 Å²	115.2	93%	0.93	89%	0.893	S	S	*	*				47	125.7	87.9	-67.6	-164.8	178.6	-172.9	0	112.7
4	G	34.3	Very low	34.3	Very low	79 Å²	79	120.1 Å²	120.1	81%	0.814	89%	0.891	S	S	*	*			cis	116.4	117.3	18.4	0	0	0	0	0	110.9
5	G	35.3	Very low	34.4	Very low	86 Å²	86	124.6 Å²	124.6	89%	0.887	89%	0.886	S	S	*	*			trans	75.2	126.7	162.4	0	0	0	0	0	116
6	G	33.3	Very low	34.4	Very low	87 Å²	87	128.5 Å²	128.5	90%	0.897	89%	0.885	S	S	*	*				124.7	148.5	51.9	0	0	0	0	0	105.9
7	G	32.8	Very low	34.8	Very low	83 Å²	83	136.2 Å²	136.2	86%	0.856	89%	0.891	S	S	*	*			cis	166.5	164.7	7.4	0	0	0	0	0	106.6
8	G	30.3	Very low	34.8	Very low	83 Å²	83	134.1 Å²	134.1	86%	0.856	89%	0.887	S	S	*	*			trans	122.2	100.8	172.1	0	0	0	0	0	111.8
9	G	30.6	Very low	34.8	Very low	86 Å²	86	137.4 Å²	137.4	89%	0.887	89%	0.888	S	S	*	*				105.9	132.3	79.7	0	0	0	0	0	106.5
10	G	30.9	Very low	34.7	Very low	83 Å²	83	143.3 Å²	143.3	86%	0.856	89%	0.892	S	S	*	*			cis	141.3	128.9	20.9	0	0	0	0	0	106.4
11	G	30.4	Very low	34.6	Very low	90 Å²	90	139.7 Å²	139.7	93%	0.928	88%	0.882	S	S	*	*			trans	97.8	137.1	173	0	0	0	0	0	114
12	G	29.5	Very low	34.2	Very low	80 Å²	80	135 Å²	135	83%	0.825	87%	0.868	S	S	*	*			cis	174.3	132.7	4.5	0	0	0	0	0	105.1
13	G	30.3	Very low	33.9	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	87%	0.868	S	S	*	*				126.1	113.9	108.6	0	0	0	0	0	111.7
14	E	37	Very low	33.7	Very low	184 Å²	184	131.7 Å²	131.7	86%	0.86	86%	0.861	S	S	*	*			trans	52	122.8	145.9	-62.9	-177.2	144.7	0	0	121
15	K	36.4	Very low	33.6	Very low	188 Å²	188	135.6 Å²	135.6	82%	0.817	86%	0.863	S	S	*	*				-172.1	120.1	103.5	-97.2	166.1	-171.2	-174.9	0	113.3
16	Q	34.5	Very low	33.7	Very low	187 Å²	187	137 Å²	137	87%	0.874	86%	0.857	S	S	*	*			trans	42.7	116.7	139.1	-70.1	174.7	6.8	0	0	120.7
17	R	40.5	Very low	33.6	Very low	259 Å²	259	141.5 Å²	141.5	98%	0.977	85%	0.854	S	S	*	*			trans	-72	125.2	162	-147.4	178.7	-171.7	-146.3	3.2	109
18	A	35.4	Very low	33.7	Very low	99 Å²	99	149.5 Å²	149.5	82%	0.818	86%	0.858	S	S	*	*			trans	-135.9	143	163.5	0	0	0	0	0	110.6
19	Q	34.1	Very low	33.8	Very low	197 Å²	197	154.3 Å²	154.3	92%	0.921	86%	0.859	S	S	*	*			trans	-71.4	146.2	-158.7	-67.7	159.6	-8.3	0	0	113.8	G21	Q19-G21 PolarHBondContact O-N 3.23Å
20	R	33.5	Very low	34.2	Very low	255 Å²	255	157.2 Å²	157.2	96%	0.962	85%	0.854	S	S	*	*			trans	-68.2	107.8	171.3	-72.5	-179.7	179.5	-167.4	-1.5	109.8
21	G	31.8	Very low	34.5	Very low	67 Å²	67	157 Å²	157	69%	0.691	85%	0.851	S	S	*	*			trans	-87.1	121.8	160.4	0	0	0	0	0	109.8	Q19 R23	Q19-G21 PolarHBondContact O-N 3.23Å; G21-R23 PolarHBondContact O-N 3.31Å
22	V	37.8	Very low	34.8	Very low	150 Å²	150	157.9 Å²	157.9	91%	0.909	84%	0.843	S	S	*	*			trans	-62.9	117	168.5	176.1	0	0	0	0	107.7
23	R	33.6	Very low	35.6	Very low	238 Å²	238	158.5 Å²	158.5	90%	0.898	84%	0.841	S	S	*	*			trans	-111.7	123.1	166	-73.9	-171.5	-179.9	-158.2	0	108	G21	G21-R23 PolarHBondContact O-N 3.31Å
24	S	34.8	Very low	36	Very low	110 Å²	110	160.6 Å²	160.6	77%	0.769	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-59.9	128.2	174.4	46.8	0	0	0	0	111.3
25	D	33.3	Very low	36.3	Very low	161 Å²	161	157.8 Å²	157.8	86%	0.861	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-61.2	126.2	168.7	-96.9	-30.7	0	0	0	110.4
26	P	36	Very low	37	Very low	116 Å²	116	153.2 Å²	153.2	75%	0.753	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-79	122.8	161.6	8.1	9.2	0	0	0	109.2
27	Q	32.1	Very low	38	Very low	181 Å²	181	149 Å²	149	85%	0.846	82%	0.815	S	S	*	*			trans	10.1	117.9	153.7	-65.2	177.1	-49.8	0	0	117.3	E29	Q27-E29 PolarHBondContact O-N 3.21Å
28	R	34	Very low	39.3	Very low	251 Å²	251	142.7 Å²	142.7	95%	0.947	80%	0.799	S	S	*	*			trans	-64.8	110	159.4	-66.9	-179.6	179.5	-164.4	-1.6	108.3
29	E	33.4	Very low	41.5	Very low	184 Å²	184	141.4 Å²	141.4	86%	0.86	78%	0.777	S	S	*	*			trans	-66.7	139.8	165.2	-72.6	-176.7	161.7	0	0	109.5	Q27	Q27-E29 PolarHBondContact O-N 3.21Å
30	D	38.7	Very low	44.2	Very low	147 Å²	147	136.2 Å²	136.2	79%	0.786	76%	0.763	S	S	*	*			trans	-68.2	154.1	-179.3	53	23.6	0	0	0	111.2	S32	D30-S32 PolarHBondContact O-N 3.08Å; D30-S32 VanDerWaalsContact O-N 3.08Å
31	G	36.7	Very low	47.2	Very low	77 Å²	77	124.4 Å²	124.4	79%	0.794	72%	0.719	S	S	*	*			trans	-64.3	111.6	-177.9	0	0	0	0	0	110.9	A33	G31-A33 PolarHBondContact O-N 2.99Å
32	S	36.8	Very low	50.2	Low	110 Å²	110	124.2 Å²	124.2	77%	0.769	71%	0.711	S	S	*	*			trans	-57.8	105.1	166.9	62.7	0	0	0	0	109.3	D30 T34	D30-S32 PolarHBondContact O-N 3.08Å; D30-S32 VanDerWaalsContact O-N 3.08Å; S32-T34 PolarHBondContact O-N 3.1Å; S32-T34 VanDerWaalsContact O-N 3.1Å
33	A	46.3	Very low	52.9	Low	93 Å²	93	119.1 Å²	119.1	77%	0.769	69%	0.689	S	S	*	*			trans	-59.2	114.5	161.7	0	0	0	0	0	107	G31	G31-A33 PolarHBondContact O-N 2.99Å
34	T	39.5	Very low	56	Low	119 Å²	119	110.4 Å²	110.4	73%	0.73	66%	0.657	S	S	*	*			trans	-49.2	129.5	168.3	27.4	0	0	0	0	108.7	S32 V36	S32-T34 PolarHBondContact O-N 3.1Å; S32-T34 VanDerWaalsContact O-N 3.1Å; T34-V36 PolarHBondContact O-N 3.01Å
35	P	42.8	Very low	59.1	Low	125 Å²	125	105.2 Å²	105.2	81%	0.812	62%	0.621	S	S	*	*			trans	-59.4	116	179.1	22	-30.5	0	0	0	108.6	S37	P35-S37 PolarHBondContact O-N 2.98Å; P35-S37 VanDerWaalsContact O-N 3.08Å
36	V	51.2	Low	62.2	Low	92 Å²	92	97.5 Å²	97.5	56%	0.558	58%	0.58	S	S	*	*			trans	-59.4	115.1	171.7	179.4	0	0	0	0	106.3	T34 I38	T34-V36 PolarHBondContact O-N 3.01Å; V36-I38 PolarHBondContact O-N 2.79Å
37	S	55.2	Low	65.2	Low	98 Å²	98	92 Å²	92	69%	0.685	54%	0.544	S	S	*	.			trans	-66	102.7	173.9	-176.5	0	0	0	0	108	P35 M39	P35-S37 PolarHBondContact O-N 2.98Å; P35-S37 VanDerWaalsContact O-N 3.08Å; S37-M39 PolarHBondContact O-N 3.08Å
38	I	69.4	Low	68.4	Low	126 Å²	126	83.4 Å²	83.4	65%	0.646	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-73.1	119.1	178.3	-61.2	175.4	0	0	0	107.7	V36 S40 L272	V36-I38 PolarHBondContact O-N 2.79Å; I38-S40 PolarHBondContact O-N 2.76Å; I38-L272 HydrophobicContact CG2-CB 4.35Å; I38-L272 HydrophobicContact CG2-CD1 4.48Å; I38-L272 HydrophobicContact CG2-CD2 4.18Å
39	M	80.4	Confident	71.5	Confident	73 Å²	73	71.6 Å²	71.6	36%	0.36	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-63.8	132.3	177.8	-174.1	-177.7	-67.5	0	0	110.8	S37 L272	S37-M39 PolarHBondContact O-N 3.08Å; M39-L272 PolarHBondContact N-O 2.65Å; M39-L272 WeakPolarHBondContact O-CD2 3.29Å
40	S	90.9	Very high	74.6	Confident	88 Å²	88	63.4 Å²	63.4	62%	0.615	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-75.8	136.7	170.1	-179.9	0	0	0	0	110.9	I38 A42	I38-S40 PolarHBondContact O-N 2.76Å; S40-A42 PolarHBondContact OG-N 3.46Å
41	L	96.1	Very high	77.4	Confident	6 Å²	6	56.4 Å²	56.4	3%	0.031	39%	0.387	C	S	.	.			trans	-102.3	2.1	176	-58.9	-175.8	0	0	0	113.7	G43 K44 L63 S66 A68 I125 M268 I271 L272	L41-G43 PolarHBondContact O-N 3.49Å; L41-G43 VanDerWaalsContact O-N 3.12Å; L41-K44 HydrophobicContact CD2-CG 4.25Å; L41-K44 WeakPolarHBondContact O-CB 3.04Å; L41-K44 PolarHBondContact O-N 3.45Å; L41-L63 HydrophobicContact CD1-CD2 4.36Å; L41-S66 CarbonylContact C-O 3.51Å; L41-A68 HydrophobicContact CB-CB 4.49Å; L41-A68 WeakPolarHBondContact O-CA 3.22Å; L41-A68 PolarHBondContact O-N 2.6Å; L41-I125 HydrophobicContact CD2-CD1 4.06Å; L41-M268 HydrophobicContact CD1-CE 3.32Å; L41-I271 HydrophobicContact CD1-CG2 3.84Å; L41-I271 HydrophobicContact CD2-CG2 3.7Å; L41-I271 HydrophobicContact CG-CG2 4.38Å; L41-L272 HydrophobicContact CD1-CD2 3.83Å; L41-L272 HydrophobicContact CD2-CD2 4.25Å; L41-L272 HydrophobicContact CG-CD2 3.75Å
42	A	96.3	Very high	80.4	Confident	64 Å²	64	52.8 Å²	52.8	53%	0.529	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	119.7	176.9	0	0	0	0	0	110.5	S40 K44 S67	S40-A42 PolarHBondContact OG-N 3.46Å; A42-K44 PolarHBondContact O-N 2.91Å; A42-S67 WeakPolarHBondContact CA-O 3.26Å
43	G	94.3	Very high	83.3	Confident	43 Å²	43	51.3 Å²	51.3	44%	0.443	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	-2	-179.7	0	0	0	0	0	115.4	L41 S67	L41-G43 PolarHBondContact O-N 3.49Å; L41-G43 VanDerWaalsContact O-N 3.12Å; G43-S67 PolarHBondContact N-O 3.25Å
44	K	98.3	Very high	85.8	Confident	54 Å²	54	47.9 Å²	47.9	24%	0.235	30%	0.304	C	S	.	.			trans	-69.2	149.6	171.2	-65.6	-66.7	-175.2	-179.5	0	110.7	L41 A42 A68 K69 D124	L41-K44 HydrophobicContact CD2-CG 4.25Å; L41-K44 WeakPolarHBondContact O-CB 3.04Å; L41-K44 PolarHBondContact O-N 3.45Å; A42-K44 PolarHBondContact O-N 2.91Å; K44-A68 CarbonylContact O-C 3.6Å; K44-A68 VanDerWaalsContact O-CA 3.27Å; K44-A68 WeakPolarHBondContact O-CA 3.42Å; K44-A68 WeakPolarHBondContact O-CB 3.47Å; K44-K69 PolarHBondContact O-N 3.12Å; K44-D124 WeakPolarHBondContact CA-OD2 3.14Å; K44-D124 HydrophobicContact CB-CB 4.23Å; K44-D124 HydrophobicContact CD-CB 3.8Å; K44-D124 WeakPolarHBondContact CD-OD1 3.33Å; K44-D124 IonicContact NZ-OD1 2.76Å; K44-D124 PolarHBondContact NZ-OD1 3.47Å
45	V	98.9	Very high	88.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.2	-178.7	-179.5	0	0	0	0	110.6	K69 T116 F120 R122 L123 D124 I125	V45-K69 WeakPolarHBondContact CA-O 3.46Å; V45-K69 HydrophobicContact CG2-CB 4.43Å; V45-T116 HydrophobicContact CG1-CG2 3.83Å; V45-F120 HydrophobicContact CB-CB 4.3Å; V45-F120 HydrophobicContact CG1-CB 3.81Å; V45-F120 HydrophobicContact CG1-CD2 3.63Å; V45-F120 HydrophobicContact CG1-CG 4.08Å; V45-F120 HydrophobicContact CG2-CB 3.48Å; V45-F120 VanDerWaalsContact CG2-CB 3.48Å; V45-F120 HydrophobicContact CG2-CG 4.26Å; V45-R122 HydrophobicContact CB-CG 4.07Å; V45-R122 VanDerWaalsContact CB-O 3.29Å; V45-R122 WeakPolarHBondContact CB-O 3.42Å; V45-R122 VanDerWaalsContact CG1-O 3.24Å; V45-R122 WeakPolarHBondContact CG1-O 3.47Å; V45-R122 HydrophobicContact CG2-CG 3.46Å; V45-R122 VanDerWaalsContact CG2-CG 3.46Å; V45-L123 HydrophobicContact CG1-CD1 4.44Å; V45-D124 PolarHBondContact N-OD2 3.39Å; V45-D124 PolarHBondContact O-N 3.06Å; V45-I125 PolarHBondContact O-N 3.33Å
46	A	98.9	Very high	91.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.5	177.5	0	0	0	0	0	112	L63 K69 V70 A71 I125	A46-L63 HydrophobicContact CB-CD1 3.64Å; A46-L63 HydrophobicContact CB-CD2 4.21Å; A46-L63 HydrophobicContact CB-CG 4.46Å; A46-K69 PolarHBondContact N-O 3.48Å; A46-V70 HydrophobicContact CB-CG1 4.4Å; A46-V70 HydrophobicContact CB-CG2 4.36Å; A46-V70 CarbonylContact O-C 3.48Å; A46-V70 WeakPolarHBondContact O-CA 3.35Å; A46-A71 PolarHBondContact O-N 3.39Å; A46-I125 CarbonylContact C-O 3.6Å; A46-I125 VanDerWaalsContact CA-O 3.23Å; A46-I125 WeakPolarHBondContact CA-O 3.41Å; A46-I125 HydrophobicContact CB-CB 3.86Å; A46-I125 HydrophobicContact CB-CG2 4.18Å
47	L	98.9	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.1	164.9	-175.5	158	0	0	0	108.7	T49 A71 V73 F113 T116 L123 I125 V126 I127	L47-T49 HydrophobicContact CD2-CG2 3.78Å; L47-A71 HydrophobicContact CG-CB 4.48Å; L47-V73 HydrophobicContact CD1-CG2 4.17Å; L47-V73 HydrophobicContact CD2-CG2 3.91Å; L47-V73 HydrophobicContact CG-CG2 3.79Å; L47-F113 HydrophobicContact CD1-CB 4.42Å; L47-F113 HydrophobicContact CD1-CD1 4.08Å; L47-F113 HydrophobicContact CD1-CD2 3.68Å; L47-F113 HydrophobicContact CD1-CE1 4.25Å; L47-F113 HydrophobicContact CD1-CE2 3.9Å; L47-F113 HydrophobicContact CD1-CG 3.8Å; L47-F113 HydrophobicContact CD1-CZ 4.19Å; L47-F113 HydrophobicContact CD2-CE2 4.12Å; L47-F113 HydrophobicContact CD2-CZ 4.21Å; L47-T116 HydrophobicContact CB-CG2 4.41Å; L47-T116 WeakPolarHBondContact CD1-OG1 3.34Å; L47-L123 HydrophobicContact CB-CD1 3.91Å; L47-I125 PolarHBondContact N-O 3.36Å; L47-V126 HydrophobicContact CB-CG2 4.46Å; L47-V126 WeakPolarHBondContact O-CA 3.43Å; L47-I127 PolarHBondContact O-N 3.24Å
48	V	98.9	Very high	95.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	113.9	179.6	-175.1	0	0	0	0	109.8	V60 L63 V70 A71 V73 I127	V48-V60 HydrophobicContact CB-CG2 3.91Å; V48-V60 HydrophobicContact CG1-CG2 4.11Å; V48-V60 HydrophobicContact CG2-CG2 3.99Å; V48-L63 HydrophobicContact CG2-CD1 3.87Å; V48-V70 HydrophobicContact CG2-CG1 3.94Å; V48-A71 PolarHBondContact N-O 3.31Å; V48-V73 PolarHBondContact O-N 3.1Å; V48-I127 HydrophobicContact CB-CB 4.49Å; V48-I127 HydrophobicContact CG1-CB 4.19Å; V48-I127 HydrophobicContact CG1-CG2 4.48Å; V48-I127 HydrophobicContact CG2-CB 4.19Å; V48-I127 HydrophobicContact CG2-CD1 4.05Å; V48-I127 HydrophobicContact CG2-CG1 4.26Å
49	T	98.9	Very high	97	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	143.4	173.5	62.3	0	0	0	0	111.2	L47 G51 V73 V103 L109 I127 N128 N129 A130	L47-T49 HydrophobicContact CD2-CG2 3.78Å; T49-G51 PolarHBondContact O-N 3.21Å; T49-V73 CarbonylContact C-O 3.58Å; T49-V73 WeakPolarHBondContact CA-O 3.26Å; T49-V73 HydrophobicContact CG2-CB 4.31Å; T49-V73 HydrophobicContact CG2-CG1 4.36Å; T49-V103 HydrophobicContact CG2-CG1 4.07Å; T49-L109 HydrophobicContact CG2-CD1 4.47Å; T49-I127 PolarHBondContact N-O 3.16Å; T49-I127 PolarHBondContact OG1-O 2.95Å; T49-N128 WeakPolarHBondContact OG1-CA 3.47Å; T49-N129 CarbonylContact O-C 3.42Å; T49-N129 VanDerWaalsContact O-CB 3.22Å; T49-N129 WeakPolarHBondContact O-CB 3.46Å; T49-N129 PolarHBondContact O-ND2 2.7Å; T49-N129 PolarHBondContact OG1-N 3.2Å; T49-A130 PolarHBondContact O-N 2.75Å; T49-A130 VanDerWaalsContact O-N 3.12Å; T49-A130 PolarHBondContact OG1-N 3.39Å; T49-A130 VanDerWaalsContact OG1-N 3.17Å
50	G	98.7	Very high	97.9	Very high	13 Å²	13	22.7 Å²	22.7	13%	0.134	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	31.1	-168.8	0	0	0	0	0	111.8	A52 G56 V73 D74 N129	G50-A52 VanDerWaalsContact C-N 3.33Å; G50-A52 PolarHBondContact O-N 3.35Å; G50-G56 WeakPolarHBondContact O-CA 3.31Å; G50-V73 PolarHBondContact N-O 3.35Å; G50-D74 VanDerWaalsContact CA-OD2 3.24Å; G50-D74 WeakPolarHBondContact CA-OD2 3.05Å; G50-N129 PolarHBondContact O-ND2 3.11Å
51	G	98.6	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-10.4	-169	0	0	0	0	0	114.8	T49 G56 R57 V72 V73 D74	T49-G51 PolarHBondContact O-N 3.21Å; G51-G56 CarbonylContact O-C 3.42Å; G51-R57 WeakPolarHBondContact O-CA 3.04Å; G51-R57 PolarHBondContact O-N 2.9Å; G51-V72 VanDerWaalsContact C-CG1 3.44Å; G51-V73 PolarHBondContact N-O 3.4Å; G51-D74 PolarHBondContact N-OD2 3.1Å
52	A	98.6	Very high	98.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-15.9	-170.1	0	0	0	0	0	113.9	G50 V72 D74 V79 C83	G50-A52 VanDerWaalsContact C-N 3.33Å; G50-A52 PolarHBondContact O-N 3.35Å; A52-V72 HydrophobicContact CB-CG1 4.32Å; A52-D74 HydrophobicContact CB-CB 3.77Å; A52-D74 WeakPolarHBondContact CB-OD2 3.47Å; A52-D74 PolarHBondContact N-OD2 2.88Å; A52-D74 VanDerWaalsContact N-OD2 3.07Å; A52-V79 HydrophobicContact CB-CG1 3.92Å; A52-C83 HydrophobicContact CB-CB 4.13Å
53	Q	98.3	Very high	98.5	Very high	79 Å²	79	18.5 Å²	18.5	37%	0.369	11%	0.109	S	C	.	.	S	Bend	trans	-149.5	171.4	-177.4	61.4	179.2	45.6	0	0	113.4	I55 G56 R57 V79	Q53-I55 PolarHBondContact O-N 2.9Å; Q53-G56 PolarHBondContact O-N 3.46Å; Q53-R57 PolarHBondContact O-N 2.83Å; Q53-R57 VanDerWaalsContact O-N 3.14Å; Q53-V79 HydrophobicContact CB-CG1 4.22Å
54	G	98.3	Very high	98.7	Very high	21 Å²	21	16.8 Å²	16.8	22%	0.216	9%	0.089	C	C	.	.	H	α-helix	trans	54.4	-133.7	173.9	0	0	0	0	0	113.7	G56 R57 A58	G54-G56 PolarHBondContact O-N 3.21Å; G54-R57 PolarHBondContact O-N 2.9Å; G54-A58 PolarHBondContact O-N 3.08Å
55	I	98.7	Very high	98.7	Very high	21 Å²	21	20.8 Å²	20.8	11%	0.108	11%	0.107	C	C	.	.	H	α-helix	trans	-60.6	-43.6	179.5	-66.3	163.5	0	0	0	111.5	Q53 R57 A58 A59 P221 V224 T226 I263 M267	Q53-I55 PolarHBondContact O-N 2.9Å; I55-R57 PolarHBondContact O-N 3.41Å; I55-A58 PolarHBondContact O-N 3.09Å; I55-A59 PolarHBondContact O-N 3.07Å; I55-P221 HydrophobicContact CD1-CG 4.33Å; I55-V224 HydrophobicContact CD1-CB 4.13Å; I55-V224 HydrophobicContact CD1-CG1 4.2Å; I55-V224 HydrophobicContact CD1-CG2 3.96Å; I55-V224 HydrophobicContact CG1-CB 4.44Å; I55-V224 HydrophobicContact CG1-CG1 3.97Å; I55-T226 HydrophobicContact CG1-CG2 4.12Å; I55-I263 HydrophobicContact CB-CG2 4.5Å; I55-I263 HydrophobicContact CD1-CG2 4.19Å; I55-I263 HydrophobicContact CG1-CB 4.28Å; I55-I263 HydrophobicContact CG1-CG1 4.3Å; I55-I263 HydrophobicContact CG1-CG2 4.14Å; I55-I263 HydrophobicContact CG2-CB 4.16Å; I55-I263 HydrophobicContact CG2-CG2 3.55Å; I55-M267 HydrophobicContact CG2-CE 3.48Å; I55-M267 VanDerWaalsContact CG2-CE 3.48Å; I55-M267 HydrophobicContact CG2-SD 4.48Å
56	G	98.8	Very high	98.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-45.1	-178.3	0	0	0	0	0	111.9	G50 G51 Q53 G54 A58 A59 V60 N129	G50-G56 WeakPolarHBondContact O-CA 3.31Å; G51-G56 CarbonylContact O-C 3.42Å; Q53-G56 PolarHBondContact O-N 3.46Å; G54-G56 PolarHBondContact O-N 3.21Å; G56-A58 PolarHBondContact O-N 3.38Å; G56-A59 WeakPolarHBondContact O-CB 3.16Å; G56-A59 PolarHBondContact O-N 2.85Å; G56-V60 WeakPolarHBondContact O-CG2 3.47Å; G56-V60 PolarHBondContact O-N 2.85Å; G56-N129 WeakPolarHBondContact CA-ND2 3.42Å
57	R	98.7	Very high	98.6	Very high	74 Å²	74	25.5 Å²	25.5	28%	0.279	14%	0.14	S	C	.	.	H	α-helix	trans	-62.2	-41.9	175.4	178.5	176.4	167	160.3	5.1	112.9	G51 Q53 G54 I55 A59 V60 Q61	G51-R57 WeakPolarHBondContact O-CA 3.04Å; G51-R57 PolarHBondContact O-N 2.9Å; Q53-R57 PolarHBondContact O-N 2.83Å; Q53-R57 VanDerWaalsContact O-N 3.14Å; G54-R57 PolarHBondContact O-N 2.9Å; I55-R57 PolarHBondContact O-N 3.41Å; R57-A59 VanDerWaalsContact C-N 3.26Å; R57-A59 PolarHBondContact O-N 2.96Å; R57-V60 PolarHBondContact O-N 2.81Å; R57-Q61 PolarHBondContact O-N 3.49Å
58	A	98.8	Very high	98.6	Very high	7 Å²	7	25.5 Å²	25.5	6%	0.058	14%	0.14	C	C	.	.	H	α-helix	trans	-62.5	-36.5	176.5	0	0	0	0	0	111.9	G54 I55 G56 S62 P260 A264	G54-A58 PolarHBondContact O-N 3.08Å; I55-A58 PolarHBondContact O-N 3.09Å; G56-A58 PolarHBondContact O-N 3.38Å; A58-S62 PolarHBondContact O-N 2.69Å; A58-S62 VanDerWaalsContact O-N 3.08Å; A58-S62 PolarHBondContact O-OG 3.22Å; A58-P260 HydrophobicContact CB-CB 3.72Å; A58-A264 VanDerWaalsContact C-CB 3.46Å; A58-A264 HydrophobicContact CB-CB 3.87Å; A58-A264 WeakPolarHBondContact O-CB 3.42Å
59	A	98.9	Very high	98.6	Very high	1 Å²	1	29 Å²	29	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-46.4	173.5	0	0	0	0	0	111.8	I55 G56 R57 Q61 S62 L63 I127 M267	I55-A59 PolarHBondContact O-N 3.07Å; G56-A59 WeakPolarHBondContact O-CB 3.16Å; G56-A59 PolarHBondContact O-N 2.85Å; R57-A59 VanDerWaalsContact C-N 3.26Å; R57-A59 PolarHBondContact O-N 2.96Å; A59-Q61 PolarHBondContact O-N 2.9Å; A59-S62 PolarHBondContact O-N 3.35Å; A59-S62 VanDerWaalsContact O-N 3.15Å; A59-L63 WeakPolarHBondContact O-CG 3.28Å; A59-L63 PolarHBondContact O-N 2.98Å; A59-I127 HydrophobicContact CB-CD1 4.04Å; A59-M267 HydrophobicContact CB-SD 3.51Å; A59-M267 VanDerWaalsContact CB-SD 3.51Å
60	V	98.9	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55.1	-49.3	175.3	171.9	0	0	0	0	110.9	V48 G56 R57 S62 L63 L64 V70 V72 L87	V48-V60 HydrophobicContact CB-CG2 3.91Å; V48-V60 HydrophobicContact CG1-CG2 4.11Å; V48-V60 HydrophobicContact CG2-CG2 3.99Å; G56-V60 WeakPolarHBondContact O-CG2 3.47Å; G56-V60 PolarHBondContact O-N 2.85Å; R57-V60 PolarHBondContact O-N 2.81Å; V60-S62 VanDerWaalsContact C-N 3.32Å; V60-S62 PolarHBondContact O-N 3.2Å; V60-L63 PolarHBondContact O-N 3.42Å; V60-L64 HydrophobicContact CG1-CD1 3.78Å; V60-L64 HydrophobicContact CG1-CG 4.44Å; V60-L64 WeakPolarHBondContact O-CG 3.42Å; V60-L64 PolarHBondContact O-N 3.44Å; V60-V70 HydrophobicContact CB-CG1 4.33Å; V60-V70 HydrophobicContact CG1-CB 4.27Å; V60-V70 HydrophobicContact CG1-CG1 3.99Å; V60-V70 HydrophobicContact CG2-CG1 3.9Å; V60-V72 HydrophobicContact CG1-CG2 3.87Å; V60-V72 HydrophobicContact CG2-CG2 4.05Å; V60-L87 HydrophobicContact CG1-CD1 3.57Å; V60-L87 HydrophobicContact CG1-CD2 4.19Å
61	Q	98.8	Very high	98.6	Very high	44 Å²	44	28.2 Å²	28.2	21%	0.206	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-39.7	177.9	-72.5	-179.1	-58.6	0	0	112.3	R57 A59 L64 K65 L87 E90 F91	R57-Q61 PolarHBondContact O-N 3.49Å; A59-Q61 PolarHBondContact O-N 2.9Å; Q61-L64 PolarHBondContact O-N 3.21Å; Q61-K65 WeakPolarHBondContact O-CB 3.44Å; Q61-K65 VanDerWaalsContact O-CG 3.24Å; Q61-K65 WeakPolarHBondContact O-CG 3.18Å; Q61-K65 PolarHBondContact O-N 2.87Å; Q61-L87 HydrophobicContact CG-CD2 3.98Å; Q61-E90 PolarHBondContact NE2-OE2 2.89Å; Q61-F91 HydrophobicContact CB-CZ 4.43Å; Q61-F91 HydrophobicContact CG-CE2 4.24Å
62	S	98.8	Very high	98.6	Very high	27 Å²	27	28.3 Å²	28.3	19%	0.189	15%	0.148	C	C	.	.	H	α-helix	trans	-68.1	-37.7	179.6	-58.9	0	0	0	0	112.5	A58 A59 V60 S66 A264	A58-S62 PolarHBondContact O-N 2.69Å; A58-S62 VanDerWaalsContact O-N 3.08Å; A58-S62 PolarHBondContact O-OG 3.22Å; A59-S62 PolarHBondContact O-N 3.35Å; A59-S62 VanDerWaalsContact O-N 3.15Å; V60-S62 VanDerWaalsContact C-N 3.32Å; V60-S62 PolarHBondContact O-N 3.2Å; S62-S66 PolarHBondContact O-N 2.7Å; S62-S66 VanDerWaalsContact O-N 3.15Å; S62-S66 PolarHBondContact O-OG 3.45Å; S62-A264 WeakPolarHBondContact OG-CB 3.35Å
63	L	98.8	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65	-46.1	173.9	-74.2	163	0	0	0	111.5	L41 A46 V48 A59 V60 S66 S67 A68 V70 I125 I127 M268 I271	L41-L63 HydrophobicContact CD1-CD2 4.36Å; A46-L63 HydrophobicContact CB-CD1 3.64Å; A46-L63 HydrophobicContact CB-CD2 4.21Å; A46-L63 HydrophobicContact CB-CG 4.46Å; V48-L63 HydrophobicContact CG2-CD1 3.87Å; A59-L63 WeakPolarHBondContact O-CG 3.28Å; A59-L63 PolarHBondContact O-N 2.98Å; V60-L63 PolarHBondContact O-N 3.42Å; L63-S66 CarbonylContact O-C 3.54Å; L63-S66 WeakPolarHBondContact O-CA 3.42Å; L63-S66 WeakPolarHBondContact O-CB 3.41Å; L63-S66 PolarHBondContact O-N 3.42Å; L63-S67 PolarHBondContact O-N 3.12Å; L63-A68 HydrophobicContact CB-CB 4.23Å; L63-A68 HydrophobicContact CD2-CB 4.47Å; L63-A68 VanDerWaalsContact O-CB 3.31Å; L63-A68 WeakPolarHBondContact O-CB 3.33Å; L63-A68 PolarHBondContact O-N 2.83Å; L63-V70 HydrophobicContact CB-CG2 3.67Å; L63-V70 HydrophobicContact CD1-CG2 4.27Å; L63-I125 HydrophobicContact CD2-CD1 3.92Å; L63-I127 HydrophobicContact CD1-CD1 4.02Å; L63-M268 HydrophobicContact CD2-CE 4.47Å; L63-M268 HydrophobicContact CD2-SD 4.17Å; L63-M268 HydrophobicContact CG-SD 4.25Å; L63-I271 HydrophobicContact CD2-CD1 4.02Å
64	L	98.6	Very high	98.6	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-63.9	-42	177.9	-70	168.9	0	0	0	112.1	V60 Q61 S66 S67 V70 L87 F91 R95	V60-L64 HydrophobicContact CG1-CD1 3.78Å; V60-L64 HydrophobicContact CG1-CG 4.44Å; V60-L64 WeakPolarHBondContact O-CG 3.42Å; V60-L64 PolarHBondContact O-N 3.44Å; Q61-L64 PolarHBondContact O-N 3.21Å; L64-S66 PolarHBondContact O-N 3.33Å; L64-S67 WeakPolarHBondContact O-CA 3.5Å; L64-S67 PolarHBondContact O-N 3.48Å; L64-V70 HydrophobicContact CD2-CB 4.36Å; L64-V70 HydrophobicContact CD2-CG2 3.87Å; L64-V70 HydrophobicContact CG-CB 4.5Å; L64-V70 HydrophobicContact CG-CG2 3.85Å; L64-L87 HydrophobicContact CD1-CB 4.35Å; L64-L87 HydrophobicContact CD1-CD1 4.19Å; L64-L87 HydrophobicContact CD1-CD2 3.72Å; L64-L87 HydrophobicContact CD1-CG 4.29Å; L64-F91 HydrophobicContact CB-CD1 3.94Å; L64-F91 HydrophobicContact CB-CD2 3.96Å; L64-F91 HydrophobicContact CB-CE1 4.1Å; L64-F91 HydrophobicContact CB-CE2 4.12Å; L64-F91 HydrophobicContact CB-CG 3.87Å; L64-F91 HydrophobicContact CB-CZ 4.19Å; L64-F91 HydrophobicContact CD1-CD2 3.63Å; L64-F91 HydrophobicContact CD1-CE2 4Å; L64-F91 HydrophobicContact CD1-CG 4.18Å; L64-F91 HydrophobicContact CG-CD2 4.4Å; L64-R95 HydrophobicContact CD2-CB 3.88Å; L64-R95 WeakPolarHBondContact CD2-O 3.43Å
65	K	98.2	Very high	98.6	Very high	138 Å²	138	29 Å²	29	60%	0.6	15%	0.149	S	C	*	.	H	α-helix	trans	-57.8	-30.9	171.4	-75.6	173.7	-177.6	178	0	112.6	Q61 S67 F91	Q61-K65 WeakPolarHBondContact O-CB 3.44Å; Q61-K65 VanDerWaalsContact O-CG 3.24Å; Q61-K65 WeakPolarHBondContact O-CG 3.18Å; Q61-K65 PolarHBondContact O-N 2.87Å; K65-S67 PolarHBondContact O-N 2.68Å; K65-F91 HydrophobicContact CG-CE1 3.6Å; K65-F91 HydrophobicContact CG-CZ 3.95Å
66	S	97.8	Very high	98.6	Very high	43 Å²	43	31.4 Å²	31.4	30%	0.301	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	14.3	176.3	-52.1	0	0	0	0	113.2	L41 S62 L63 L64 A68 M268	L41-S66 CarbonylContact C-O 3.51Å; S62-S66 PolarHBondContact O-N 2.7Å; S62-S66 VanDerWaalsContact O-N 3.15Å; S62-S66 PolarHBondContact O-OG 3.45Å; L63-S66 CarbonylContact O-C 3.54Å; L63-S66 WeakPolarHBondContact O-CA 3.42Å; L63-S66 WeakPolarHBondContact O-CB 3.41Å; L63-S66 PolarHBondContact O-N 3.42Å; L64-S66 PolarHBondContact O-N 3.33Å; S66-A68 PolarHBondContact O-N 3.01Å; S66-M268 VanDerWaalsContact OG-CE 3.29Å; S66-M268 WeakPolarHBondContact OG-CE 3.31Å
67	S	97.4	Very high	98.6	Very high	57 Å²	57	36.2 Å²	36.2	40%	0.399	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	21.6	-178.9	-63.2	0	0	0	0	115.4	A42 G43 L63 L64 K65 R95	A42-S67 WeakPolarHBondContact CA-O 3.26Å; G43-S67 PolarHBondContact N-O 3.25Å; L63-S67 PolarHBondContact O-N 3.12Å; L64-S67 WeakPolarHBondContact O-CA 3.5Å; L64-S67 PolarHBondContact O-N 3.48Å; K65-S67 PolarHBondContact O-N 2.68Å; S67-R95 PolarHBondContact O-NH2 3.21Å
68	A	98.5	Very high	98.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.194	C	C	.	.			trans	-74.7	166.4	165.2	0	0	0	0	0	111.3	L41 K44 L63 S66 R95	L41-A68 HydrophobicContact CB-CB 4.49Å; L41-A68 WeakPolarHBondContact O-CA 3.22Å; L41-A68 PolarHBondContact O-N 2.6Å; K44-A68 CarbonylContact O-C 3.6Å; K44-A68 VanDerWaalsContact O-CA 3.27Å; K44-A68 WeakPolarHBondContact O-CA 3.42Å; K44-A68 WeakPolarHBondContact O-CB 3.47Å; L63-A68 HydrophobicContact CB-CB 4.23Å; L63-A68 HydrophobicContact CD2-CB 4.47Å; L63-A68 VanDerWaalsContact O-CB 3.31Å; L63-A68 WeakPolarHBondContact O-CB 3.33Å; L63-A68 PolarHBondContact O-N 2.83Å; S66-A68 PolarHBondContact O-N 3.01Å; A68-R95 PolarHBondContact O-NH2 3.42Å
69	K	98.8	Very high	98.5	Very high	72 Å²	72	37.9 Å²	37.9	31%	0.313	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146.3	164.4	-58	-175.1	-173.6	178	0	109.2	K44 V45 A46 R95 F120	K44-K69 PolarHBondContact O-N 3.12Å; V45-K69 WeakPolarHBondContact CA-O 3.46Å; V45-K69 HydrophobicContact CG2-CB 4.43Å; A46-K69 PolarHBondContact N-O 3.48Å; K69-R95 CarbonylContact C-O 3.53Å; K69-R95 VanDerWaalsContact CA-O 3.23Å; K69-R95 WeakPolarHBondContact CA-O 3.5Å; K69-F120 HydrophobicContact CB-CD1 3.93Å; K69-F120 HydrophobicContact CB-CD2 4.39Å; K69-F120 HydrophobicContact CB-CE1 3.93Å; K69-F120 HydrophobicContact CB-CE2 4.39Å; K69-F120 HydrophobicContact CB-CG 4.15Å; K69-F120 HydrophobicContact CB-CZ 4.16Å; K69-F120 HydrophobicContact CD-CB 4.42Å; K69-F120 HydrophobicContact CD-CD1 3.4Å; K69-F120 HydrophobicContact CD-CE1 3.83Å; K69-F120 HydrophobicContact CD-CG 4.1Å; K69-F120 HydrophobicContact CG-CD1 4.29Å; K69-F120 HydrophobicContact CG-CE1 4.4Å
70	V	98.9	Very high	98.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	123.7	-170.1	-169.1	0	0	0	0	113	A46 V48 V60 L63 L64 V72 R95 S96 T97	A46-V70 HydrophobicContact CB-CG1 4.4Å; A46-V70 HydrophobicContact CB-CG2 4.36Å; A46-V70 CarbonylContact O-C 3.48Å; A46-V70 WeakPolarHBondContact O-CA 3.35Å; V48-V70 HydrophobicContact CG2-CG1 3.94Å; V60-V70 HydrophobicContact CB-CG1 4.33Å; V60-V70 HydrophobicContact CG1-CB 4.27Å; V60-V70 HydrophobicContact CG1-CG1 3.99Å; V60-V70 HydrophobicContact CG2-CG1 3.9Å; L63-V70 HydrophobicContact CB-CG2 3.67Å; L63-V70 HydrophobicContact CD1-CG2 4.27Å; L64-V70 HydrophobicContact CD2-CB 4.36Å; L64-V70 HydrophobicContact CD2-CG2 3.87Å; L64-V70 HydrophobicContact CG-CB 4.5Å; L64-V70 HydrophobicContact CG-CG2 3.85Å; V70-V72 HydrophobicContact CG1-CG2 4.48Å; V70-R95 PolarHBondContact N-O 3.02Å; V70-S96 CarbonylContact O-C 3.42Å; V70-S96 WeakPolarHBondContact O-CA 3.3Å; V70-S96 WeakPolarHBondContact O-CB 3.46Å; V70-T97 PolarHBondContact O-N 3.25Å
71	A	98.9	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.3	161.5	0	0	0	0	0	109.9	A46 L47 V48 T97 I99 T116 F120	A46-A71 PolarHBondContact O-N 3.39Å; L47-A71 HydrophobicContact CG-CB 4.48Å; V48-A71 PolarHBondContact N-O 3.31Å; A71-T97 CarbonylContact C-O 3.56Å; A71-T97 WeakPolarHBondContact CA-O 3.3Å; A71-T97 HydrophobicContact CB-CG2 4.07Å; A71-I99 HydrophobicContact CB-CD1 4.19Å; A71-T116 HydrophobicContact CB-CG2 3.61Å; A71-T116 WeakPolarHBondContact CB-OG1 3.31Å; A71-F120 HydrophobicContact CB-CE2 4.41Å
72	V	98.9	Very high	98.5	Very high	2 Å²	2	45 Å²	45	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	106.6	176.2	-174.3	0	0	0	0	107.6	G51 A52 V60 V70 L87 T97 F98 I99	G51-V72 VanDerWaalsContact C-CG1 3.44Å; A52-V72 HydrophobicContact CB-CG1 4.32Å; V60-V72 HydrophobicContact CG1-CG2 3.87Å; V60-V72 HydrophobicContact CG2-CG2 4.05Å; V70-V72 HydrophobicContact CG1-CG2 4.48Å; V72-L87 HydrophobicContact CG2-CD1 3.95Å; V72-T97 PolarHBondContact N-O 3.26Å; V72-F98 HydrophobicContact CG1-CD2 4.47Å; V72-F98 WeakPolarHBondContact O-CA 3.17Å; V72-F98 WeakPolarHBondContact O-CD2 3.42Å; V72-I99 PolarHBondContact O-N 2.84Å
73	V	98.9	Very high	98.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.9	-179.5	-177.5	0	0	0	0	108.8	L47 V48 T49 G50 G51 I99 C101 A112	L47-V73 HydrophobicContact CD1-CG2 4.17Å; L47-V73 HydrophobicContact CD2-CG2 3.91Å; L47-V73 HydrophobicContact CG-CG2 3.79Å; V48-V73 PolarHBondContact O-N 3.1Å; T49-V73 CarbonylContact C-O 3.58Å; T49-V73 WeakPolarHBondContact CA-O 3.26Å; T49-V73 HydrophobicContact CG2-CB 4.31Å; T49-V73 HydrophobicContact CG2-CG1 4.36Å; G50-V73 PolarHBondContact N-O 3.35Å; G51-V73 PolarHBondContact N-O 3.4Å; V73-I99 WeakPolarHBondContact CA-O 3.45Å; V73-I99 HydrophobicContact CG2-CB 4.33Å; V73-C101 HydrophobicContact CG1-CB 3.52Å; V73-A112 HydrophobicContact CG1-CB 4.28Å; V73-A112 HydrophobicContact CG2-CB 4.25Å
74	D	98.8	Very high	98.5	Very high	18 Å²	18	45 Å²	45	10%	0.096	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.4	-179.3	-147.8	-66.1	0	0	0	112.1	G50 G51 A52 N76 F98 I99 Q100 C101	G50-D74 VanDerWaalsContact CA-OD2 3.24Å; G50-D74 WeakPolarHBondContact CA-OD2 3.05Å; G51-D74 PolarHBondContact N-OD2 3.1Å; A52-D74 HydrophobicContact CB-CB 3.77Å; A52-D74 WeakPolarHBondContact CB-OD2 3.47Å; A52-D74 PolarHBondContact N-OD2 2.88Å; A52-D74 VanDerWaalsContact N-OD2 3.07Å; D74-N76 PolarHBondContact OD1-N 3.45Å; D74-F98 HydrophobicContact CB-CE2 3.92Å; D74-I99 PolarHBondContact N-O 3.39Å; D74-Q100 CarbonylContact O-C 3.55Å; D74-Q100 VanDerWaalsContact O-CA 3.29Å; D74-Q100 WeakPolarHBondContact O-CA 3.4Å; D74-C101 CarbonylContact C-O 3.55Å; D74-C101 PolarHBondContact O-N 3.06Å
75	L	98.4	Very high	98.5	Very high	98 Å²	98	50 Å²	50	51%	0.513	26%	0.257	S	S	.	.	S	Bend	trans	-75.3	-40.3	178	175.5	64.4	0	0	0	111.1	K77 Q100 C101 D102	L75-K77 PolarHBondContact O-N 2.91Å; L75-Q100 PolarHBondContact O-NE2 3.27Å; L75-C101 WeakPolarHBondContact CA-O 3.35Å; L75-C101 PolarHBondContact N-O 3.48Å; L75-D102 HydrophobicContact CD1-CB 3.59Å
76	N	98	Very high	98.5	Very high	71 Å²	71	47.5 Å²	47.5	38%	0.38	25%	0.248	S	C	.	.			trans	-82.8	102.4	-171	-172.2	-34.2	0	0	0	110.4	D74 T78 V79 G80	D74-N76 PolarHBondContact OD1-N 3.45Å; N76-T78 PolarHBondContact O-N 3.04Å; N76-T78 PolarHBondContact OD1-N 3.47Å; N76-T78 VanDerWaalsContact OD1-N 3.17Å; N76-V79 HydrophobicContact CB-CB 4.11Å; N76-V79 HydrophobicContact CB-CG2 4.26Å; N76-V79 VanDerWaalsContact CG-CG2 3.5Å; N76-V79 WeakPolarHBondContact ND2-CG2 3.29Å; N76-V79 PolarHBondContact O-N 3.26Å; N76-V79 PolarHBondContact OD1-N 3.22Å; N76-V79 VanDerWaalsContact OD1-N 3.09Å; N76-G80 PolarHBondContact O-N 3.29Å
77	K	98.2	Very high	98.5	Very high	101 Å²	101	45.4 Å²	45.4	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-54.4	-49.6	-179.8	-175.1	175	174.9	178	0	112.7	L75 G80 E81 F98 Q100	L75-K77 PolarHBondContact O-N 2.91Å; K77-G80 PolarHBondContact O-N 3.17Å; K77-E81 WeakPolarHBondContact CE-OE1 3.28Å; K77-E81 HydrophobicContact CG-CG 4.29Å; K77-E81 IonicContact NZ-OE1 3.79Å; K77-E81 WeakPolarHBondContact O-CB 3.48Å; K77-E81 WeakPolarHBondContact O-CG 3.47Å; K77-E81 PolarHBondContact O-N 3.01Å; K77-F98 HydrophobicContact CG-CE1 4.47Å; K77-Q100 HydrophobicContact CB-CG 4.42Å
78	T	98.4	Very high	98.6	Very high	84 Å²	84	44.5 Å²	44.5	52%	0.515	22%	0.224	S	C	.	.	H	α-helix	trans	-64.3	-45.8	-175.6	-56.5	0	0	0	0	111.6	N76 G80 Q82	N76-T78 PolarHBondContact O-N 3.04Å; N76-T78 PolarHBondContact OD1-N 3.47Å; N76-T78 VanDerWaalsContact OD1-N 3.17Å; T78-G80 VanDerWaalsContact C-N 3.32Å; T78-Q82 WeakPolarHBondContact O-CB 3.48Å; T78-Q82 VanDerWaalsContact O-CG 3.24Å; T78-Q82 WeakPolarHBondContact O-CG 3.4Å; T78-Q82 PolarHBondContact O-N 3.42Å
79	V	98.3	Very high	98.6	Very high	33 Å²	33	48.7 Å²	48.7	20%	0.2	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-38.5	177.2	178.3	0	0	0	0	110.6	A52 Q53 N76 C83	A52-V79 HydrophobicContact CB-CG1 3.92Å; Q53-V79 HydrophobicContact CB-CG1 4.22Å; N76-V79 HydrophobicContact CB-CB 4.11Å; N76-V79 HydrophobicContact CB-CG2 4.26Å; N76-V79 VanDerWaalsContact CG-CG2 3.5Å; N76-V79 WeakPolarHBondContact ND2-CG2 3.29Å; N76-V79 PolarHBondContact O-N 3.26Å; N76-V79 PolarHBondContact OD1-N 3.22Å; N76-V79 VanDerWaalsContact OD1-N 3.09Å; V79-C83 VanDerWaalsContact O-CB 3.28Å; V79-C83 WeakPolarHBondContact O-CB 3.14Å; V79-C83 PolarHBondContact O-N 2.89Å
80	G	98.6	Very high	98.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-48.9	176.2	0	0	0	0	0	113.7	N76 K77 T78 C83 Q84	N76-G80 PolarHBondContact O-N 3.29Å; K77-G80 PolarHBondContact O-N 3.17Å; T78-G80 VanDerWaalsContact C-N 3.32Å; G80-C83 WeakPolarHBondContact O-CB 3.38Å; G80-C83 PolarHBondContact O-N 3.21Å; G80-Q84 PolarHBondContact O-N 3.45Å
81	E	98.5	Very high	98.5	Very high	88 Å²	88	52 Å²	52	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-64.1	-41.5	177.4	-72.2	173.3	160.9	0	0	111.7	K77 C83 Q84 N85 F98	K77-E81 WeakPolarHBondContact CE-OE1 3.28Å; K77-E81 HydrophobicContact CG-CG 4.29Å; K77-E81 IonicContact NZ-OE1 3.79Å; K77-E81 WeakPolarHBondContact O-CB 3.48Å; K77-E81 WeakPolarHBondContact O-CG 3.47Å; K77-E81 PolarHBondContact O-N 3.01Å; E81-C83 VanDerWaalsContact C-N 3.33Å; E81-C83 PolarHBondContact O-N 2.89Å; E81-Q84 PolarHBondContact O-N 3.04Å; E81-N85 PolarHBondContact O-N 3.22Å; E81-N85 PolarHBondContact O-ND2 3.23Å; E81-F98 HydrophobicContact CG-CD1 4.14Å; E81-F98 HydrophobicContact CG-CE1 4.19Å
82	Q	98.6	Very high	98.4	Very high	105 Å²	105	53.6 Å²	53.6	49%	0.491	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-41.5	173.4	-73.4	174.4	-1.8	0	0	111.9	T78 Q86	T78-Q82 WeakPolarHBondContact O-CB 3.48Å; T78-Q82 VanDerWaalsContact O-CG 3.24Å; T78-Q82 WeakPolarHBondContact O-CG 3.4Å; T78-Q82 PolarHBondContact O-N 3.42Å; Q82-Q86 VanDerWaalsContact O-CG 3.29Å; Q82-Q86 WeakPolarHBondContact O-CG 3.24Å; Q82-Q86 PolarHBondContact O-N 2.85Å
83	C	98.6	Very high	98.3	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.007	33%	0.329	C	S	.	.	H	α-helix	trans	-62.8	-45.5	176	-171.8	0	0	0	0	110.8	A52 V79 G80 E81 N85 Q86 L87	A52-C83 HydrophobicContact CB-CB 4.13Å; V79-C83 VanDerWaalsContact O-CB 3.28Å; V79-C83 WeakPolarHBondContact O-CB 3.14Å; V79-C83 PolarHBondContact O-N 2.89Å; G80-C83 WeakPolarHBondContact O-CB 3.38Å; G80-C83 PolarHBondContact O-N 3.21Å; E81-C83 VanDerWaalsContact C-N 3.33Å; E81-C83 PolarHBondContact O-N 2.89Å; C83-N85 PolarHBondContact O-N 3.19Å; C83-Q86 PolarHBondContact O-N 2.94Å; C83-L87 VanDerWaalsContact O-CG 3.27Å; C83-L87 WeakPolarHBondContact O-CG 3.39Å; C83-L87 PolarHBondContact O-N 2.8Å
84	Q	98.7	Very high	98.2	Very high	26 Å²	26	63.7 Å²	63.7	12%	0.121	35%	0.349	C	S	.	.	H	α-helix	trans	-56.5	-50.5	177.7	-178.8	64	52	0	0	111.4	G80 E81 Q86 L87 D88 S96 T97 F98	G80-Q84 PolarHBondContact O-N 3.45Å; E81-Q84 PolarHBondContact O-N 3.04Å; Q84-Q86 PolarHBondContact O-N 3.45Å; Q84-L87 PolarHBondContact O-N 3Å; Q84-D88 WeakPolarHBondContact CG-OD2 3.45Å; Q84-D88 PolarHBondContact NE2-OD1 2.82Å; Q84-D88 PolarHBondContact NE2-OD2 2.94Å; Q84-D88 PolarHBondContact O-N 3.19Å; Q84-S96 PolarHBondContact NE2-O 2.87Å; Q84-S96 PolarHBondContact NE2-OG 2.97Å; Q84-T97 VanDerWaalsContact OE1-CA 3.23Å; Q84-F98 HydrophobicContact CB-CB 4.04Å; Q84-F98 HydrophobicContact CG-CB 4.43Å
85	N	98.6	Very high	98.1	Very high	112 Å²	112	66.4 Å²	66.4	60%	0.599	36%	0.358	S	S	*	.	H	α-helix	trans	-57.9	-38.4	179	-67.8	-19.5	0	0	0	112.5	E81 C83 A89	E81-N85 PolarHBondContact O-N 3.22Å; E81-N85 PolarHBondContact O-ND2 3.23Å; C83-N85 PolarHBondContact O-N 3.19Å; N85-A89 WeakPolarHBondContact O-CB 3.46Å; N85-A89 PolarHBondContact O-N 2.74Å; N85-A89 VanDerWaalsContact O-N 3.12Å
86	Q	98.6	Very high	98.1	Very high	86 Å²	86	62 Å²	62	40%	0.402	34%	0.335	S	S	.	.	H	α-helix	trans	-70.2	-38.6	177.6	-70.4	169.4	2.7	0	0	111.9	Q82 C83 Q84 A89 E90	Q82-Q86 VanDerWaalsContact O-CG 3.29Å; Q82-Q86 WeakPolarHBondContact O-CG 3.24Å; Q82-Q86 PolarHBondContact O-N 2.85Å; C83-Q86 PolarHBondContact O-N 2.94Å; Q84-Q86 PolarHBondContact O-N 3.45Å; Q86-A89 PolarHBondContact O-N 3.5Å; Q86-E90 WeakPolarHBondContact O-CB 3.35Å; Q86-E90 PolarHBondContact O-N 2.92Å
87	L	98.6	Very high	98.2	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-68.7	-40.6	176.8	-66.1	174.7	0	0	0	111.7	V60 Q61 L64 V72 C83 Q84 A89 E90 F91 S96	V60-L87 HydrophobicContact CG1-CD1 3.57Å; V60-L87 HydrophobicContact CG1-CD2 4.19Å; Q61-L87 HydrophobicContact CG-CD2 3.98Å; L64-L87 HydrophobicContact CD1-CB 4.35Å; L64-L87 HydrophobicContact CD1-CD1 4.19Å; L64-L87 HydrophobicContact CD1-CD2 3.72Å; L64-L87 HydrophobicContact CD1-CG 4.29Å; V72-L87 HydrophobicContact CG2-CD1 3.95Å; C83-L87 VanDerWaalsContact O-CG 3.27Å; C83-L87 WeakPolarHBondContact O-CG 3.39Å; C83-L87 PolarHBondContact O-N 2.8Å; Q84-L87 PolarHBondContact O-N 3Å; L87-A89 VanDerWaalsContact C-N 3.31Å; L87-A89 PolarHBondContact O-N 2.81Å; L87-E90 PolarHBondContact O-N 3.08Å; L87-F91 HydrophobicContact CD2-CD2 4.05Å; L87-F91 HydrophobicContact CD2-CE2 3.89Å; L87-F91 WeakPolarHBondContact O-CB 3.42Å; L87-F91 WeakPolarHBondContact O-CD2 3.42Å; L87-F91 PolarHBondContact O-N 2.95Å; L87-S96 WeakPolarHBondContact CB-OG 3.48Å
88	D	98.4	Very high	98.2	Very high	37 Å²	37	56.7 Å²	56.7	20%	0.198	31%	0.311	C	S	.	.	H	α-helix	trans	-63.7	-38.9	175.8	-69.6	-33.8	0	0	0	111.2	Q84 G92 E93	Q84-D88 WeakPolarHBondContact CG-OD2 3.45Å; Q84-D88 PolarHBondContact NE2-OD1 2.82Å; Q84-D88 PolarHBondContact NE2-OD2 2.94Å; Q84-D88 PolarHBondContact O-N 3.19Å; D88-G92 CarbonylContact O-C 3.52Å; D88-G92 WeakPolarHBondContact O-CA 3.3Å; D88-G92 PolarHBondContact O-N 2.88Å; D88-E93 HydrophobicContact CB-CG 4.26Å
89	A	98.4	Very high	98.2	Very high	89 Å²	89	52.8 Å²	52.8	74%	0.736	29%	0.287	S	S	*	.	H	α-helix	trans	-67.4	-35.9	174.9	0	0	0	0	0	113.4	N85 Q86 L87	N85-A89 WeakPolarHBondContact O-CB 3.46Å; N85-A89 PolarHBondContact O-N 2.74Å; N85-A89 VanDerWaalsContact O-N 3.12Å; Q86-A89 PolarHBondContact O-N 3.5Å; L87-A89 VanDerWaalsContact C-N 3.31Å; L87-A89 PolarHBondContact O-N 2.81Å
90	E	98.2	Very high	98.2	Very high	93 Å²	93	56.3 Å²	56.3	44%	0.435	30%	0.302	S	S	.	.	H	α-helix	trans	-83.6	-37.1	-177.6	-170.3	-179.8	171.6	0	0	112.7	Q61 Q86 L87	Q61-E90 PolarHBondContact NE2-OE2 2.89Å; Q86-E90 WeakPolarHBondContact O-CB 3.35Å; Q86-E90 PolarHBondContact O-N 2.92Å; L87-E90 PolarHBondContact O-N 3.08Å
91	F	98.1	Very high	98.2	Very high	49 Å²	49	56.6 Å²	56.6	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-121.5	-7.3	-169	-58.3	-72.8	0	0	0	114.7	Q61 L64 K65 L87 R95	Q61-F91 HydrophobicContact CB-CZ 4.43Å; Q61-F91 HydrophobicContact CG-CE2 4.24Å; L64-F91 HydrophobicContact CB-CD1 3.94Å; L64-F91 HydrophobicContact CB-CD2 3.96Å; L64-F91 HydrophobicContact CB-CE1 4.1Å; L64-F91 HydrophobicContact CB-CE2 4.12Å; L64-F91 HydrophobicContact CB-CG 3.87Å; L64-F91 HydrophobicContact CB-CZ 4.19Å; L64-F91 HydrophobicContact CD1-CD2 3.63Å; L64-F91 HydrophobicContact CD1-CE2 4Å; L64-F91 HydrophobicContact CD1-CG 4.18Å; L64-F91 HydrophobicContact CG-CD2 4.4Å; K65-F91 HydrophobicContact CG-CE1 3.6Å; K65-F91 HydrophobicContact CG-CZ 3.95Å; L87-F91 HydrophobicContact CD2-CD2 4.05Å; L87-F91 HydrophobicContact CD2-CE2 3.89Å; L87-F91 WeakPolarHBondContact O-CB 3.42Å; L87-F91 WeakPolarHBondContact O-CD2 3.42Å; L87-F91 PolarHBondContact O-N 2.95Å; F91-R95 WeakPolarHBondContact O-CG 3.25Å
92	G	97.5	Very high	98.3	Very high	33 Å²	33	53.8 Å²	53.8	34%	0.34	29%	0.292	S	S	.	.			trans	88.3	153.9	-175.1	0	0	0	0	0	113.4	D88 R95	D88-G92 CarbonylContact O-C 3.52Å; D88-G92 WeakPolarHBondContact O-CA 3.3Å; D88-G92 PolarHBondContact O-N 2.88Å; G92-R95 WeakPolarHBondContact O-CB 3.19Å; G92-R95 WeakPolarHBondContact O-CG 3.49Å
93	E	96.7	Very high	98.3	Very high	172 Å²	172	49.3 Å²	49.3	80%	0.804	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	150.9	-178	-65	-177.9	-175.2	0	0	113.1	D88 R95	D88-E93 HydrophobicContact CB-CG 4.26Å; E93-R95 PolarHBondContact O-N 2.87Å
94	G	95.5	Very high	98.3	Very high	42 Å²	42	50.2 Å²	50.2	43%	0.433	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	2.5	175.3	0	0	0	0	0	114.8
95	R	97.7	Very high	98.2	Very high	74 Å²	74	54.2 Å²	54.2	28%	0.279	30%	0.295	S	S	.	.	S	Bend	trans	-82.8	-29.6	171.9	-61.8	-62.3	-54.7	-156.6	4.2	112.2	L64 S67 A68 K69 V70 F91 G92 E93	L64-R95 HydrophobicContact CD2-CB 3.88Å; L64-R95 WeakPolarHBondContact CD2-O 3.43Å; S67-R95 PolarHBondContact O-NH2 3.21Å; A68-R95 PolarHBondContact O-NH2 3.42Å; K69-R95 CarbonylContact C-O 3.53Å; K69-R95 VanDerWaalsContact CA-O 3.23Å; K69-R95 WeakPolarHBondContact CA-O 3.5Å; V70-R95 PolarHBondContact N-O 3.02Å; F91-R95 WeakPolarHBondContact O-CG 3.25Å; G92-R95 WeakPolarHBondContact O-CB 3.19Å; G92-R95 WeakPolarHBondContact O-CG 3.49Å; E93-R95 PolarHBondContact O-N 2.87Å
96	S	98.6	Very high	98.1	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.035	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156.9	172.5	49.3	0	0	0	0	112.1	V70 Q84 L87	V70-S96 CarbonylContact O-C 3.42Å; V70-S96 WeakPolarHBondContact O-CA 3.3Å; V70-S96 WeakPolarHBondContact O-CB 3.46Å; Q84-S96 PolarHBondContact NE2-O 2.87Å; Q84-S96 PolarHBondContact NE2-OG 2.97Å; L87-S96 WeakPolarHBondContact CB-OG 3.48Å
97	T	98.7	Very high	98.1	Very high	30 Å²	30	52.8 Å²	52.8	18%	0.184	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	134.8	170.1	-169.8	0	0	0	0	110.3	V70 A71 V72 Q84 I99 Q119 F120	V70-T97 PolarHBondContact O-N 3.25Å; A71-T97 CarbonylContact C-O 3.56Å; A71-T97 WeakPolarHBondContact CA-O 3.3Å; A71-T97 HydrophobicContact CB-CG2 4.07Å; V72-T97 PolarHBondContact N-O 3.26Å; Q84-T97 VanDerWaalsContact OE1-CA 3.23Å; T97-I99 HydrophobicContact CG2-CD1 4.42Å; T97-I99 HydrophobicContact CG2-CG1 4.42Å; T97-Q119 HydrophobicContact CG2-CG 4.17Å; T97-F120 HydrophobicContact CG2-CE2 3.72Å; T97-F120 HydrophobicContact CG2-CZ 3.86Å
98	F	98.9	Very high	98.1	Very high	31 Å²	31	54.8 Å²	54.8	14%	0.136	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.3	174.8	171	-118.5	0	0	0	110.7	V72 D74 K77 E81 Q84 Q100	V72-F98 HydrophobicContact CG1-CD2 4.47Å; V72-F98 WeakPolarHBondContact O-CA 3.17Å; V72-F98 WeakPolarHBondContact O-CD2 3.42Å; D74-F98 HydrophobicContact CB-CE2 3.92Å; K77-F98 HydrophobicContact CG-CE1 4.47Å; E81-F98 HydrophobicContact CG-CD1 4.14Å; E81-F98 HydrophobicContact CG-CE1 4.19Å; Q84-F98 HydrophobicContact CB-CB 4.04Å; Q84-F98 HydrophobicContact CG-CB 4.43Å; F98-Q100 HydrophobicContact CE1-CB 4.1Å; F98-Q100 HydrophobicContact CZ-CB 3.83Å; F98-Q100 HydrophobicContact CZ-CG 4.39Å
99	I	98.8	Very high	98.1	Very high	2 Å²	2	53 Å²	53	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	111.9	176.2	-57.2	173.4	0	0	0	108.1	A71 V72 V73 D74 T97 C101 A112 R115	A71-I99 HydrophobicContact CB-CD1 4.19Å; V72-I99 PolarHBondContact O-N 2.84Å; V73-I99 WeakPolarHBondContact CA-O 3.45Å; V73-I99 HydrophobicContact CG2-CB 4.33Å; D74-I99 PolarHBondContact N-O 3.39Å; T97-I99 HydrophobicContact CG2-CD1 4.42Å; T97-I99 HydrophobicContact CG2-CG1 4.42Å; I99-C101 PolarHBondContact O-N 3.19Å; I99-A112 HydrophobicContact CG2-CB 3.78Å; I99-R115 HydrophobicContact CD1-CB 3.99Å
100	Q	98.8	Very high	98.1	Very high	108 Å²	108	54.2 Å²	54.2	51%	0.505	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	121.7	172.2	-171.4	-174.9	6.9	0	0	109.8	D74 L75 K77 F98	D74-Q100 CarbonylContact O-C 3.55Å; D74-Q100 VanDerWaalsContact O-CA 3.29Å; D74-Q100 WeakPolarHBondContact O-CA 3.4Å; L75-Q100 PolarHBondContact O-NE2 3.27Å; K77-Q100 HydrophobicContact CB-CG 4.42Å; F98-Q100 HydrophobicContact CE1-CB 4.1Å; F98-Q100 HydrophobicContact CZ-CB 3.83Å; F98-Q100 HydrophobicContact CZ-CG 4.39Å
101	C	98.7	Very high	98.1	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.041	29%	0.291	C	S	.	.			trans	-155.1	130.5	-179.5	-176.7	0	0	0	0	111.6	V73 D74 L75 I99 A108 A112	V73-C101 HydrophobicContact CG1-CB 3.52Å; D74-C101 CarbonylContact C-O 3.55Å; D74-C101 PolarHBondContact O-N 3.06Å; L75-C101 WeakPolarHBondContact CA-O 3.35Å; L75-C101 PolarHBondContact N-O 3.48Å; I99-C101 PolarHBondContact O-N 3.19Å; C101-A108 VanDerWaalsContact SG-C 3.52Å; C101-A108 PolarHBondContact SG-O 3.06Å; C101-A108 VanDerWaalsContact SG-O 3.38Å; C101-A112 HydrophobicContact CB-CB 4.38Å
102	D	98.7	Very high	98.2	Very high	29 Å²	29	51.4 Å²	51.4	16%	0.155	28%	0.28	C	S	.	.			trans	-85.4	109.2	160.5	-175.4	-25.6	0	0	0	108.5	L75 T104 H105 K140	L75-D102 HydrophobicContact CD1-CB 3.59Å; D102-T104 PolarHBondContact O-N 3.46Å; D102-T104 VanDerWaalsContact OD1-CB 3.32Å; D102-T104 WeakPolarHBondContact OD1-CB 3.3Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.49Å; D102-T104 PolarHBondContact OD1-N 2.99Å; D102-T104 PolarHBondContact OD1-OG1 3.23Å; D102-T104 PolarHBondContact OD2-OG1 2.89Å; D102-H105 VanDerWaalsContact CB-ND1 3.26Å; D102-H105 WeakPolarHBondContact CB-ND1 3.48Å; D102-H105 VanDerWaalsContact CG-ND1 3.27Å; D102-H105 PolarHBondContact O-N 3.03Å; D102-H105 IonicContact OD1-ND1 2.71Å; D102-H105 IonicContact OD2-CE1 2.82Å; D102-H105 PolarHBondContact OD2-CE1 3.11Å; D102-H105 IonicContact OD2-ND1 2.92Å; D102-H105 PolarHBondContact OD2-ND1 3.5Å; D102-K140 IonicContact OD1-NZ 3.46Å; D102-K140 IonicContact OD2-NZ 2.68Å; D102-K140 PolarHBondContact OD2-NZ 2.86Å
103	V	98.7	Very high	98.3	Very high	10 Å²	10	49.8 Å²	49.8	6%	0.061	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-14.8	-178.9	-59.4	0	0	0	0	114.4	T49 H105 L109 A130 V144 S148	T49-V103 HydrophobicContact CG2-CG1 4.07Å; V103-H105 VanDerWaalsContact C-N 3.33Å; V103-L109 HydrophobicContact CB-CD1 4.49Å; V103-L109 HydrophobicContact CG1-CD1 4.2Å; V103-A130 HydrophobicContact CG1-CB 4.11Å; V103-A130 HydrophobicContact CG2-CB 4.11Å; V103-V144 HydrophobicContact CG2-CG1 4.27Å; V103-S148 WeakPolarHBondContact CG2-OG 3.41Å; V103-S148 WeakPolarHBondContact O-CB 3.38Å
104	T	98.4	Very high	98.3	Very high	21 Å²	21	45.5 Å²	45.5	13%	0.129	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.8	174.7	65.8	0	0	0	0	113.1	D102 K140 Q143 V144	D102-T104 PolarHBondContact O-N 3.46Å; D102-T104 VanDerWaalsContact OD1-CB 3.32Å; D102-T104 WeakPolarHBondContact OD1-CB 3.3Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.49Å; D102-T104 PolarHBondContact OD1-N 2.99Å; D102-T104 PolarHBondContact OD1-OG1 3.23Å; D102-T104 PolarHBondContact OD2-OG1 2.89Å; T104-K140 HydrophobicContact CG2-CD 4.26Å; T104-K140 PolarHBondContact OG1-NZ 3.48Å; T104-Q143 HydrophobicContact CG2-CB 3.82Å; T104-V144 HydrophobicContact CG2-CB 4.4Å; T104-V144 HydrophobicContact CG2-CG2 3.49Å; T104-V144 VanDerWaalsContact CG2-CG2 3.49Å
105	H	98.3	Very high	98.5	Very high	109 Å²	109	48.6 Å²	48.6	51%	0.505	24%	0.243	S	C	.	.	S	Bend	trans	-89.3	107.5	176.2	-62.3	81.7	0	0	0	109.8	D102 V103 D107 A108 L109	D102-H105 VanDerWaalsContact CB-ND1 3.26Å; D102-H105 WeakPolarHBondContact CB-ND1 3.48Å; D102-H105 VanDerWaalsContact CG-ND1 3.27Å; D102-H105 PolarHBondContact O-N 3.03Å; D102-H105 IonicContact OD1-ND1 2.71Å; D102-H105 IonicContact OD2-CE1 2.82Å; D102-H105 PolarHBondContact OD2-CE1 3.11Å; D102-H105 IonicContact OD2-ND1 2.92Å; D102-H105 PolarHBondContact OD2-ND1 3.5Å; V103-H105 VanDerWaalsContact C-N 3.33Å; H105-D107 PolarHBondContact O-N 3.42Å; H105-A108 HydrophobicContact CB-CB 3.95Å; H105-A108 PolarHBondContact O-N 2.9Å; H105-L109 PolarHBondContact O-N 3.36Å
106	G	96.5	Very high	98.6	Very high	30 Å²	30	45.1 Å²	45.1	31%	0.309	23%	0.229	S	C	.	.	H	α-helix	trans	-58	-45	-171.9	0	0	0	0	0	113.9	L109 R110	G106-L109 PolarHBondContact O-N 2.85Å; G106-R110 PolarHBondContact O-N 3.24Å
107	D	98	Very high	98.6	Very high	138 Å²	138	46.4 Å²	46.4	74%	0.738	24%	0.237	S	C	*	.	H	α-helix	trans	-69.4	-38.6	-178.5	-60	-31.1	0	0	0	112	H105 L109 R110 D111	H105-D107 PolarHBondContact O-N 3.42Å; D107-L109 VanDerWaalsContact C-N 3.32Å; D107-L109 PolarHBondContact O-N 3.24Å; D107-R110 PolarHBondContact O-N 2.92Å; D107-D111 WeakPolarHBondContact O-CB 3.43Å; D107-D111 PolarHBondContact O-N 3.48Å
108	A	98.3	Very high	98.5	Very high	42 Å²	42	50.3 Å²	50.3	35%	0.347	26%	0.257	S	S	.	.	H	α-helix	trans	-66.5	-35.8	175	0	0	0	0	0	111.9	C101 H105 A112	C101-A108 VanDerWaalsContact SG-C 3.52Å; C101-A108 PolarHBondContact SG-O 3.06Å; C101-A108 VanDerWaalsContact SG-O 3.38Å; H105-A108 HydrophobicContact CB-CB 3.95Å; H105-A108 PolarHBondContact O-N 2.9Å; A108-A112 PolarHBondContact O-N 2.83Å
109	L	98.8	Very high	98.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-43.9	174.4	-173.4	59.8	0	0	0	110.7	T49 V103 H105 G106 D107 D111 A112 F113 K151 L155	T49-L109 HydrophobicContact CG2-CD1 4.47Å; V103-L109 HydrophobicContact CB-CD1 4.49Å; V103-L109 HydrophobicContact CG1-CD1 4.2Å; H105-L109 PolarHBondContact O-N 3.36Å; G106-L109 PolarHBondContact O-N 2.85Å; D107-L109 VanDerWaalsContact C-N 3.32Å; D107-L109 PolarHBondContact O-N 3.24Å; L109-D111 VanDerWaalsContact C-N 3.34Å; L109-D111 PolarHBondContact O-N 3.31Å; L109-A112 WeakPolarHBondContact O-CB 3.37Å; L109-A112 PolarHBondContact O-N 2.84Å; L109-A112 VanDerWaalsContact O-N 3.16Å; L109-F113 HydrophobicContact CD1-CD2 4.27Å; L109-F113 HydrophobicContact CD1-CE2 3.9Å; L109-F113 HydrophobicContact CG-CD2 4.35Å; L109-F113 HydrophobicContact CG-CE2 4.1Å; L109-F113 VanDerWaalsContact O-CD2 3.3Å; L109-F113 WeakPolarHBondContact O-CD2 3.34Å; L109-F113 PolarHBondContact O-N 3.06Å; L109-F113 VanDerWaalsContact O-N 3.16Å; L109-K151 HydrophobicContact CD2-CB 4.21Å; L109-L155 HydrophobicContact CB-CD1 4.2Å; L109-L155 HydrophobicContact CD2-CD1 3.94Å; L109-L155 HydrophobicContact CG-CD1 3.67Å
110	R	98.8	Very high	98.5	Very high	113 Å²	113	55 Å²	55	43%	0.426	28%	0.279	S	S	.	.	H	α-helix	trans	-57.9	-45.4	174.2	-176.9	-179.4	-61.6	-72.7	-1.3	111.8	G106 D107 A112 F113 Q114 L155 E158	G106-R110 PolarHBondContact O-N 3.24Å; D107-R110 PolarHBondContact O-N 2.92Å; R110-A112 VanDerWaalsContact C-N 3.32Å; R110-A112 PolarHBondContact O-N 3.23Å; R110-F113 PolarHBondContact O-N 3.15Å; R110-Q114 PolarHBondContact O-N 3.06Å; R110-L155 HydrophobicContact CB-CD1 4.44Å; R110-L155 HydrophobicContact CB-CD2 4Å; R110-L155 HydrophobicContact CG-CD2 3.98Å; R110-L155 VanDerWaalsContact NH1-CD2 3.27Å; R110-E158 IonicContact CZ-OE2 3.33Å; R110-E158 IonicContact NH1-OE1 3.54Å; R110-E158 PolarHBondContact NH1-OE1 3.04Å; R110-E158 IonicContact NH1-OE2 3.4Å; R110-E158 PolarHBondContact NH1-OE2 2.71Å; R110-E158 IonicContact NH2-OE1 2.95Å
111	D	98.7	Very high	98.5	Very high	83 Å²	83	52.8 Å²	52.8	44%	0.444	29%	0.285	S	S	.	.	H	α-helix	trans	-59.6	-41.1	175.2	-178.2	67.6	0	0	0	112	D107 L109 F113 Q114 R115	D107-D111 WeakPolarHBondContact O-CB 3.43Å; D107-D111 PolarHBondContact O-N 3.48Å; L109-D111 VanDerWaalsContact C-N 3.34Å; L109-D111 PolarHBondContact O-N 3.31Å; D111-F113 VanDerWaalsContact C-N 3.32Å; D111-F113 PolarHBondContact O-N 2.95Å; D111-Q114 PolarHBondContact O-N 3.42Å; D111-R115 WeakPolarHBondContact O-CB 3.43Å; D111-R115 VanDerWaalsContact O-CG 3.32Å; D111-R115 WeakPolarHBondContact O-CG 3.37Å; D111-R115 PolarHBondContact O-N 2.95Å; D111-R115 WeakPolarHBondContact OD2-CD 3.37Å
112	A	98.9	Very high	98.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-38.5	177	0	0	0	0	0	113	V73 I99 C101 A108 L109 R110 T116	V73-A112 HydrophobicContact CG1-CB 4.28Å; V73-A112 HydrophobicContact CG2-CB 4.25Å; I99-A112 HydrophobicContact CG2-CB 3.78Å; C101-A112 HydrophobicContact CB-CB 4.38Å; A108-A112 PolarHBondContact O-N 2.83Å; L109-A112 WeakPolarHBondContact O-CB 3.37Å; L109-A112 PolarHBondContact O-N 2.84Å; L109-A112 VanDerWaalsContact O-N 3.16Å; R110-A112 VanDerWaalsContact C-N 3.32Å; R110-A112 PolarHBondContact O-N 3.23Å; A112-T116 PolarHBondContact O-N 2.79Å; A112-T116 VanDerWaalsContact O-N 3.12Å; A112-T116 PolarHBondContact O-OG1 3.41Å
113	F	98.9	Very high	98.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-46.8	173.2	-84.7	-108.7	0	0	0	111.3	L47 L109 R110 D111 R115 T116 V117 L123 V126 G152 L155 A156 H159	L47-F113 HydrophobicContact CD1-CB 4.42Å; L47-F113 HydrophobicContact CD1-CD1 4.08Å; L47-F113 HydrophobicContact CD1-CD2 3.68Å; L47-F113 HydrophobicContact CD1-CE1 4.25Å; L47-F113 HydrophobicContact CD1-CE2 3.9Å; L47-F113 HydrophobicContact CD1-CG 3.8Å; L47-F113 HydrophobicContact CD1-CZ 4.19Å; L47-F113 HydrophobicContact CD2-CE2 4.12Å; L47-F113 HydrophobicContact CD2-CZ 4.21Å; L109-F113 HydrophobicContact CD1-CD2 4.27Å; L109-F113 HydrophobicContact CD1-CE2 3.9Å; L109-F113 HydrophobicContact CG-CD2 4.35Å; L109-F113 HydrophobicContact CG-CE2 4.1Å; L109-F113 VanDerWaalsContact O-CD2 3.3Å; L109-F113 WeakPolarHBondContact O-CD2 3.34Å; L109-F113 PolarHBondContact O-N 3.06Å; L109-F113 VanDerWaalsContact O-N 3.16Å; R110-F113 PolarHBondContact O-N 3.15Å; D111-F113 VanDerWaalsContact C-N 3.32Å; D111-F113 PolarHBondContact O-N 2.95Å; F113-R115 PolarHBondContact O-N 2.93Å; F113-T116 WeakPolarHBondContact O-CB 3.45Å; F113-T116 PolarHBondContact O-N 3.45Å; F113-V117 PolarHBondContact O-N 2.98Å; F113-V117 VanDerWaalsContact O-N 3.15Å; F113-L123 HydrophobicContact CD1-CD2 3.72Å; F113-L123 HydrophobicContact CE1-CD2 3.99Å; F113-V126 HydrophobicContact CE1-CG1 4.29Å; F113-V126 HydrophobicContact CE1-CG2 3.85Å; F113-V126 HydrophobicContact CZ-CG1 3.98Å; F113-V126 HydrophobicContact CZ-CG2 4.37Å; F113-G152 WeakPolarHBondContact CZ-O 3.23Å; F113-L155 HydrophobicContact CD1-CB 3.96Å; F113-L155 HydrophobicContact CD2-CB 4.13Å; F113-L155 HydrophobicContact CD2-CD1 4.06Å; F113-L155 HydrophobicContact CE1-CB 3.95Å; F113-L155 HydrophobicContact CE2-CB 4.09Å; F113-L155 HydrophobicContact CE2-CD1 4.16Å; F113-L155 HydrophobicContact CG-CB 4.05Å; F113-L155 HydrophobicContact CZ-CB 4Å; F113-A156 HydrophobicContact CE1-CB 3.9Å; F113-A156 HydrophobicContact CZ-CB 4.43Å; F113-H159 AromaticContact CD1-CD2 3.82Å
114	Q	98.8	Very high	98.4	Very high	81 Å²	81	55.2 Å²	55.2	38%	0.379	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-48.9	178.6	-173.2	57.7	51.1	0	0	111.6	R110 D111 T116 V117 D118	R110-Q114 PolarHBondContact O-N 3.06Å; D111-Q114 PolarHBondContact O-N 3.42Å; Q114-T116 PolarHBondContact O-N 3.36Å; Q114-V117 CarbonylContact O-C 3.59Å; Q114-V117 PolarHBondContact O-N 3.49Å; Q114-D118 PolarHBondContact NE2-OD1 2.82Å; Q114-D118 VanDerWaalsContact O-CG 3.25Å; Q114-D118 PolarHBondContact O-N 2.94Å
115	R	98.8	Very high	98.4	Very high	108 Å²	108	54.4 Å²	54.4	41%	0.408	29%	0.286	S	S	.	.	H	α-helix	trans	-58.8	-33.3	176.5	-73.7	179.9	61.2	-171.9	-3.7	113.1	I99 D111 F113 Q119	I99-R115 HydrophobicContact CD1-CB 3.99Å; D111-R115 WeakPolarHBondContact O-CB 3.43Å; D111-R115 VanDerWaalsContact O-CG 3.32Å; D111-R115 WeakPolarHBondContact O-CG 3.37Å; D111-R115 PolarHBondContact O-N 2.95Å; D111-R115 WeakPolarHBondContact OD2-CD 3.37Å; F113-R115 PolarHBondContact O-N 2.93Å; R115-Q119 WeakPolarHBondContact O-CB 3.29Å; R115-Q119 PolarHBondContact O-N 2.97Å
116	T	98.8	Very high	98.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-46	174.8	-61	0	0	0	0	111	V45 L47 A71 A112 F113 Q114 Q119 F120 L123	V45-T116 HydrophobicContact CG1-CG2 3.83Å; L47-T116 HydrophobicContact CB-CG2 4.41Å; L47-T116 WeakPolarHBondContact CD1-OG1 3.34Å; A71-T116 HydrophobicContact CB-CG2 3.61Å; A71-T116 WeakPolarHBondContact CB-OG1 3.31Å; A112-T116 PolarHBondContact O-N 2.79Å; A112-T116 VanDerWaalsContact O-N 3.12Å; A112-T116 PolarHBondContact O-OG1 3.41Å; F113-T116 WeakPolarHBondContact O-CB 3.45Å; F113-T116 PolarHBondContact O-N 3.45Å; Q114-T116 PolarHBondContact O-N 3.36Å; T116-Q119 PolarHBondContact O-N 3.15Å; T116-F120 HydrophobicContact CG2-CD2 4.26Å; T116-F120 PolarHBondContact O-N 3.11Å; T116-F120 VanDerWaalsContact O-N 3.09Å; T116-L123 HydrophobicContact CG2-CD1 4.08Å
117	V	98.6	Very high	98.6	Very high	33 Å²	33	47.8 Å²	47.8	20%	0.2	25%	0.247	C	C	.	.	H	α-helix	trans	-67.5	-41.5	177	177.4	0	0	0	0	111.1	F113 Q114 Q119 F120 G121 L123	F113-V117 PolarHBondContact O-N 2.98Å; F113-V117 VanDerWaalsContact O-N 3.15Å; Q114-V117 CarbonylContact O-C 3.59Å; Q114-V117 PolarHBondContact O-N 3.49Å; V117-Q119 VanDerWaalsContact C-N 3.3Å; V117-Q119 PolarHBondContact O-N 3.36Å; V117-F120 PolarHBondContact O-N 3.47Å; V117-G121 WeakPolarHBondContact O-CA 3.27Å; V117-G121 PolarHBondContact O-N 2.95Å; V117-L123 HydrophobicContact CG2-CB 4.1Å
118	D	98.6	Very high	98.6	Very high	111 Å²	111	41.4 Å²	41.4	59%	0.594	21%	0.213	S	C	*	.	H	α-helix	trans	-62.3	-39.9	177.9	-64.8	-20.2	0	0	0	111.6	Q114	Q114-D118 PolarHBondContact NE2-OD1 2.82Å; Q114-D118 VanDerWaalsContact O-CG 3.25Å; Q114-D118 PolarHBondContact O-N 2.94Å
119	Q	98.2	Very high	98.7	Very high	111 Å²	111	40.4 Å²	40.4	52%	0.519	20%	0.202	S	C	.	.	H	α-helix	trans	-72	-39.6	-179.1	-178.5	61.5	39.4	0	0	112.9	T97 R115 T116 V117	T97-Q119 HydrophobicContact CG2-CG 4.17Å; R115-Q119 WeakPolarHBondContact O-CB 3.29Å; R115-Q119 PolarHBondContact O-N 2.97Å; T116-Q119 PolarHBondContact O-N 3.15Å; V117-Q119 VanDerWaalsContact C-N 3.3Å; V117-Q119 PolarHBondContact O-N 3.36Å
120	F	98.5	Very high	98.7	Very high	21 Å²	21	41 Å²	41	9%	0.092	21%	0.207	C	C	.	.	H	α-helix	trans	-117.7	-6.4	-168.8	-59.4	-53.5	0	0	0	115	V45 K69 A71 T97 T116 V117 R122	V45-F120 HydrophobicContact CB-CB 4.3Å; V45-F120 HydrophobicContact CG1-CB 3.81Å; V45-F120 HydrophobicContact CG1-CD2 3.63Å; V45-F120 HydrophobicContact CG1-CG 4.08Å; V45-F120 HydrophobicContact CG2-CB 3.48Å; V45-F120 VanDerWaalsContact CG2-CB 3.48Å; V45-F120 HydrophobicContact CG2-CG 4.26Å; K69-F120 HydrophobicContact CB-CD1 3.93Å; K69-F120 HydrophobicContact CB-CD2 4.39Å; K69-F120 HydrophobicContact CB-CE1 3.93Å; K69-F120 HydrophobicContact CB-CE2 4.39Å; K69-F120 HydrophobicContact CB-CG 4.15Å; K69-F120 HydrophobicContact CB-CZ 4.16Å; K69-F120 HydrophobicContact CD-CB 4.42Å; K69-F120 HydrophobicContact CD-CD1 3.4Å; K69-F120 HydrophobicContact CD-CE1 3.83Å; K69-F120 HydrophobicContact CD-CG 4.1Å; K69-F120 HydrophobicContact CG-CD1 4.29Å; K69-F120 HydrophobicContact CG-CE1 4.4Å; A71-F120 HydrophobicContact CB-CE2 4.41Å; T97-F120 HydrophobicContact CG2-CE2 3.72Å; T97-F120 HydrophobicContact CG2-CZ 3.86Å; T116-F120 HydrophobicContact CG2-CD2 4.26Å; T116-F120 PolarHBondContact O-N 3.11Å; T116-F120 VanDerWaalsContact O-N 3.09Å; V117-F120 PolarHBondContact O-N 3.47Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 2.95Å
121	G	97.8	Very high	98.6	Very high	62 Å²	62	37 Å²	37	64%	0.639	20%	0.201	S	C	*	.	S	Bend	trans	82.3	-6.7	175.9	0	0	0	0	0	115.6	V117	V117-G121 WeakPolarHBondContact O-CA 3.27Å; V117-G121 PolarHBondContact O-N 2.95Å
122	R	97.7	Very high	98.6	Very high	79 Å²	79	35.7 Å²	35.7	30%	0.298	19%	0.194	S	C	.	.			trans	-160.2	170.6	-177.2	63	-170.8	-66.1	130.7	5.6	111.6	V45 F120 D124 E167	V45-R122 HydrophobicContact CB-CG 4.07Å; V45-R122 VanDerWaalsContact CB-O 3.29Å; V45-R122 WeakPolarHBondContact CB-O 3.42Å; V45-R122 VanDerWaalsContact CG1-O 3.24Å; V45-R122 WeakPolarHBondContact CG1-O 3.47Å; V45-R122 HydrophobicContact CG2-CG 3.46Å; V45-R122 VanDerWaalsContact CG2-CG 3.46Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 2.95Å; R122-D124 IonicContact CZ-OD1 2.69Å; R122-D124 IonicContact CZ-OD2 3.37Å; R122-D124 IonicContact NE-OD1 3.77Å; R122-D124 PolarHBondContact NE-OD1 3.38Å; R122-D124 IonicContact NE-OD2 2.71Å; R122-D124 PolarHBondContact NE-OD2 2.93Å; R122-D124 IonicContact NH2-OD1 2.87Å; R122-D124 PolarHBondContact NH2-OD1 3.49Å; R122-D124 IonicContact NH2-OD2 3.2Å; R122-E167 IonicContact CZ-OE2 3.81Å; R122-E167 IonicContact NH1-OE2 3.9Å; R122-E167 PolarHBondContact NH1-OE2 2.86Å; R122-E167 IonicContact NH2-OE2 3.46Å; R122-E167 PolarHBondContact NH2-OE2 2.99Å
123	L	98.8	Very high	98.6	Very high	9 Å²	9	35.8 Å²	35.8	5%	0.047	19%	0.194	C	C	.	.			trans	-138.8	132.9	167.7	-176	62.5	0	0	0	108.1	V45 L47 F113 T116 V117 V126 H159 M160	V45-L123 HydrophobicContact CG1-CD1 4.44Å; L47-L123 HydrophobicContact CB-CD1 3.91Å; F113-L123 HydrophobicContact CD1-CD2 3.72Å; F113-L123 HydrophobicContact CE1-CD2 3.99Å; T116-L123 HydrophobicContact CG2-CD1 4.08Å; V117-L123 HydrophobicContact CG2-CB 4.1Å; L123-V126 HydrophobicContact CD1-CG2 4.17Å; L123-V126 HydrophobicContact CD2-CG2 3.74Å; L123-V126 HydrophobicContact CG-CG2 4.11Å; L123-H159 HydrophobicContact CB-CB 4.41Å; L123-H159 HydrophobicContact CD2-CB 3.83Å; L123-M160 HydrophobicContact CB-CG 4.23Å; L123-M160 HydrophobicContact CD2-CG 4.26Å; L123-M160 HydrophobicContact CD2-SD 4.48Å; L123-M160 HydrophobicContact CG-CG 4.03Å; L123-M160 HydrophobicContact CG-SD 4.03Å; L123-M160 WeakPolarHBondContact O-CG 3.38Å
124	D	98.8	Very high	98.5	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	20%	0.202	C	C	.	.			trans	-127.7	-29.3	-176.8	-60.6	-90.9	0	0	0	112.6	K44 V45 R122 M160 G169 T170	K44-D124 WeakPolarHBondContact CA-OD2 3.14Å; K44-D124 HydrophobicContact CB-CB 4.23Å; K44-D124 HydrophobicContact CD-CB 3.8Å; K44-D124 WeakPolarHBondContact CD-OD1 3.33Å; K44-D124 IonicContact NZ-OD1 2.76Å; K44-D124 PolarHBondContact NZ-OD1 3.47Å; V45-D124 PolarHBondContact N-OD2 3.39Å; V45-D124 PolarHBondContact O-N 3.06Å; R122-D124 IonicContact CZ-OD1 2.69Å; R122-D124 IonicContact CZ-OD2 3.37Å; R122-D124 IonicContact NE-OD1 3.77Å; R122-D124 PolarHBondContact NE-OD1 3.38Å; R122-D124 IonicContact NE-OD2 2.71Å; R122-D124 PolarHBondContact NE-OD2 2.93Å; R122-D124 IonicContact NH2-OD1 2.87Å; R122-D124 PolarHBondContact NH2-OD1 3.49Å; R122-D124 IonicContact NH2-OD2 3.2Å; D124-M160 VanDerWaalsContact O-SD 3.41Å; D124-G169 CarbonylContact O-C 3.54Å; D124-G169 WeakPolarHBondContact O-CA 3.46Å; D124-T170 PolarHBondContact O-N 3.02Å
125	I	98.9	Very high	98.5	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.8	-173.8	-59.2	162	0	0	0	109.3	L41 V45 A46 L47 L63 I127 T170 I271	L41-I125 HydrophobicContact CD2-CD1 4.06Å; V45-I125 PolarHBondContact O-N 3.33Å; A46-I125 CarbonylContact C-O 3.6Å; A46-I125 VanDerWaalsContact CA-O 3.23Å; A46-I125 WeakPolarHBondContact CA-O 3.41Å; A46-I125 HydrophobicContact CB-CB 3.86Å; A46-I125 HydrophobicContact CB-CG2 4.18Å; L47-I125 PolarHBondContact N-O 3.36Å; L63-I125 HydrophobicContact CD2-CD1 3.92Å; I125-I127 HydrophobicContact CG2-CG1 4.12Å; I125-T170 CarbonylContact C-O 3.59Å; I125-T170 VanDerWaalsContact CA-O 3.3Å; I125-T170 WeakPolarHBondContact CA-O 3.33Å; I125-I271 HydrophobicContact CD1-CD1 4.45Å; I125-I271 HydrophobicContact CD1-CG2 3.76Å; I125-I271 HydrophobicContact CG1-CG2 4.33Å; I125-I271 HydrophobicContact CG2-CD1 3.95Å; I125-I271 HydrophobicContact CG2-CG1 4.18Å
126	V	98.9	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	126.8	170.7	175.7	0	0	0	0	109.4	L47 F113 L123 A156 M160 T170 I171 I172	L47-V126 HydrophobicContact CB-CG2 4.46Å; L47-V126 WeakPolarHBondContact O-CA 3.43Å; F113-V126 HydrophobicContact CE1-CG1 4.29Å; F113-V126 HydrophobicContact CE1-CG2 3.85Å; F113-V126 HydrophobicContact CZ-CG1 3.98Å; F113-V126 HydrophobicContact CZ-CG2 4.37Å; L123-V126 HydrophobicContact CD1-CG2 4.17Å; L123-V126 HydrophobicContact CD2-CG2 3.74Å; L123-V126 HydrophobicContact CG-CG2 4.11Å; V126-A156 HydrophobicContact CB-CB 4Å; V126-A156 HydrophobicContact CG1-CB 4.15Å; V126-A156 HydrophobicContact CG2-CB 3.7Å; V126-M160 HydrophobicContact CB-CE 4.25Å; V126-M160 HydrophobicContact CG2-CE 3.68Å; V126-M160 HydrophobicContact CG2-SD 4.27Å; V126-T170 PolarHBondContact N-O 3.2Å; V126-I171 HydrophobicContact CB-CG1 4.4Å; V126-I171 CarbonylContact O-C 3.56Å; V126-I171 WeakPolarHBondContact O-CA 3.22Å; V126-I172 PolarHBondContact O-N 3Å
127	I	98.9	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	102.4	173.5	-51.5	-177.1	0	0	0	108.1	L47 V48 T49 A59 L63 I125 N129 I172 V174 M267 I271	L47-I127 PolarHBondContact O-N 3.24Å; V48-I127 HydrophobicContact CB-CB 4.49Å; V48-I127 HydrophobicContact CG1-CB 4.19Å; V48-I127 HydrophobicContact CG1-CG2 4.48Å; V48-I127 HydrophobicContact CG2-CB 4.19Å; V48-I127 HydrophobicContact CG2-CD1 4.05Å; V48-I127 HydrophobicContact CG2-CG1 4.26Å; T49-I127 PolarHBondContact N-O 3.16Å; T49-I127 PolarHBondContact OG1-O 2.95Å; A59-I127 HydrophobicContact CB-CD1 4.04Å; L63-I127 HydrophobicContact CD1-CD1 4.02Å; I125-I127 HydrophobicContact CG2-CG1 4.12Å; I127-N129 VanDerWaalsContact C-N 3.28Å; I127-N129 HydrophobicContact CG2-CB 3.81Å; I127-N129 PolarHBondContact O-N 3.21Å; I127-I172 CarbonylContact C-O 3.59Å; I127-I172 WeakPolarHBondContact CA-O 3.24Å; I127-I172 HydrophobicContact CG1-CB 4.43Å; I127-I172 HydrophobicContact CG2-CB 4.39Å; I127-V174 HydrophobicContact CG2-CG2 4.31Å; I127-M267 HydrophobicContact CD1-SD 4.01Å; I127-M267 HydrophobicContact CG2-CE 4Å; I127-M267 HydrophobicContact CG2-SD 3.95Å; I127-I271 HydrophobicContact CD1-CD1 4.42Å
128	N	98.9	Very high	98.4	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.027	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	81.1	171.4	-65.9	-47.8	0	0	0	108.7	T49 V149 T153 I172 N173 V174	T49-N128 WeakPolarHBondContact OG1-CA 3.47Å; N128-V149 HydrophobicContact CB-CG1 4.14Å; N128-V149 HydrophobicContact CB-CG2 4.3Å; N128-T153 PolarHBondContact ND2-OG1 2.98Å; N128-I172 PolarHBondContact N-O 3.15Å; N128-N173 WeakPolarHBondContact CB-OD1 3.3Å; N128-N173 PolarHBondContact ND2-OD1 2.78Å; N128-V174 PolarHBondContact O-N 3.38Å
129	N	98.9	Very high	98.4	Very high	21 Å²	21	40.8 Å²	40.8	11%	0.112	21%	0.214	C	C	.	.			trans	-104.4	-23.7	-174.8	159.3	90.1	0	0	0	113.7	T49 G50 G56 I127 G131 V174	T49-N129 CarbonylContact O-C 3.42Å; T49-N129 VanDerWaalsContact O-CB 3.22Å; T49-N129 WeakPolarHBondContact O-CB 3.46Å; T49-N129 PolarHBondContact O-ND2 2.7Å; T49-N129 PolarHBondContact OG1-N 3.2Å; G50-N129 PolarHBondContact O-ND2 3.11Å; G56-N129 WeakPolarHBondContact CA-ND2 3.42Å; I127-N129 VanDerWaalsContact C-N 3.28Å; I127-N129 HydrophobicContact CG2-CB 3.81Å; I127-N129 PolarHBondContact O-N 3.21Å; N129-G131 PolarHBondContact O-N 2.99Å; N129-V174 HydrophobicContact CB-CB 4.48Å; N129-V174 HydrophobicContact CB-CG2 3.74Å
130	A	98.7	Very high	98.4	Very high	12 Å²	12	38.5 Å²	38.5	10%	0.099	20%	0.202	C	C	.	.			trans	-50.9	130.4	-179.9	0	0	0	0	0	111.4	T49 V103	T49-A130 PolarHBondContact O-N 2.75Å; T49-A130 VanDerWaalsContact O-N 3.12Å; T49-A130 PolarHBondContact OG1-N 3.39Å; T49-A130 VanDerWaalsContact OG1-N 3.17Å; V103-A130 HydrophobicContact CG1-CB 4.11Å; V103-A130 HydrophobicContact CG2-CB 4.11Å
131	G	98.3	Very high	98.4	Very high	30 Å²	30	37.5 Å²	37.5	31%	0.309	20%	0.197	S	C	.	.			trans	-163.4	147.6	-176.3	0	0	0	0	0	112	N129 N145	N129-G131 PolarHBondContact O-N 2.99Å; G131-N145 VanDerWaalsContact CA-OD1 3.24Å; G131-N145 WeakPolarHBondContact CA-OD1 3.45Å
132	I	98.5	Very high	98.4	Very high	56 Å²	56	37 Å²	37	29%	0.287	18%	0.18	S	C	.	.			trans	-128.3	162.4	174.8	64.4	170.5	0	0	0	110.6	N134 K140 V144 N145 Y189	I132-N134 HydrophobicContact CD1-CB 4.32Å; I132-K140 HydrophobicContact CD1-CB 4.35Å; I132-K140 HydrophobicContact CD1-CG 3.83Å; I132-V144 HydrophobicContact CD1-CB 4.38Å; I132-V144 HydrophobicContact CD1-CG2 4.07Å; I132-V144 HydrophobicContact CG1-CB 4.1Å; I132-V144 HydrophobicContact CG1-CG1 4.34Å; I132-V144 HydrophobicContact CG1-CG2 4.3Å; I132-V144 HydrophobicContact CG2-CG1 4.33Å; I132-N145 PolarHBondContact N-OD1 2.96Å; I132-N145 PolarHBondContact O-ND2 3.18Å; I132-N145 PolarHBondContact O-OD1 3.4Å; I132-Y189 VanDerWaalsContact O-CD2 3.27Å; I132-Y189 WeakPolarHBondContact O-CD2 3.3Å; I132-Y189 WeakPolarHBondContact O-CE2 3.34Å
133	N	97.6	Very high	98.5	Very high	2 Å²	2	37 Å²	37	1%	0.011	18%	0.183	C	C	.	.			trans	-122.6	101.5	167.9	171.9	49.4	0	0	0	108.4	Q186 Y189 L228 T231 N237 M238	N133-Q186 PolarHBondContact ND2-NE2 3.47Å; N133-Q186 VanDerWaalsContact ND2-NE2 3.11Å; N133-Q186 PolarHBondContact OD1-NE2 3.49Å; N133-Y189 HydrophobicContact CB-CD2 4.22Å; N133-Y189 HydrophobicContact CB-CE2 4.48Å; N133-L228 HydrophobicContact CB-CD2 4.1Å; N133-L228 HydrophobicContact CB-CG 4.11Å; N133-T231 WeakPolarHBondContact CB-OG1 3.31Å; N133-T231 PolarHBondContact ND2-OG1 2.86Å; N133-T231 PolarHBondContact O-OG1 3.22Å; N133-N237 PolarHBondContact O-ND2 3.42Å; N133-M238 PolarHBondContact ND2-SD 2.94Å
134	N	97.9	Very high	98.5	Very high	30 Å²	30	37 Å²	37	16%	0.16	18%	0.183	C	C	.	.			trans	-146.6	99.2	177.7	-166.2	-30.3	0	0	0	109.8	I132 K136 N137 W138 T141 N237	I132-N134 HydrophobicContact CD1-CB 4.32Å; N134-K136 PolarHBondContact OD1-N 2.86Å; N134-K136 VanDerWaalsContact OD1-N 3.12Å; N134-N137 CarbonylContact O-C 3.42Å; N134-N137 PolarHBondContact OD1-N 2.83Å; N134-W138 WeakPolarHBondContact O-CA 3.39Å; N134-T141 PolarHBondContact N-OG1 3.42Å; N134-T141 PolarHBondContact O-OG1 3.02Å; N134-N237 CarbonylContact C-O 3.4Å; N134-N237 WeakPolarHBondContact CA-O 3.35Å; N134-N237 PolarHBondContact OD1-O 3.22Å
135	E	97.9	Very high	98.5	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.047	18%	0.182	C	C	.	.	S	Bend	trans	-82.9	-17.9	176.5	-63.7	-66.6	149.3	0	0	112.4	Q186 P187 V188 Y189 N237 M238 F241	E135-Q186 VanDerWaalsContact OE1-CA 3.31Å; E135-Q186 WeakPolarHBondContact OE1-CA 3.33Å; E135-P187 VanDerWaalsContact OE2-CD 3.31Å; E135-P187 WeakPolarHBondContact OE2-CD 3.37Å; E135-P187 WeakPolarHBondContact OE2-CG 3.38Å; E135-V188 PolarHBondContact OE1-N 3.43Å; E135-V188 WeakPolarHBondContact OE2-CB 3.47Å; E135-V188 PolarHBondContact OE2-N 3.14Å; E135-Y189 WeakPolarHBondContact OE1-CB 3.3Å; E135-Y189 PolarHBondContact OE1-N 3.2Å; E135-N237 PolarHBondContact N-O 2.83Å; E135-M238 HydrophobicContact CB-CE 4.21Å; E135-M238 HydrophobicContact CG-CE 3.63Å; E135-F241 HydrophobicContact CB-CD2 3.74Å; E135-F241 HydrophobicContact CB-CE2 4.24Å; E135-F241 HydrophobicContact CG-CD2 4.22Å
136	K	97.8	Very high	98.5	Very high	115 Å²	115	38.3 Å²	38.3	50%	0.5	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-45.9	174	-170.3	176.3	-178.9	173.1	0	111.2	N134 D236 N237	N134-K136 PolarHBondContact OD1-N 2.86Å; N134-K136 VanDerWaalsContact OD1-N 3.12Å; K136-D236 WeakPolarHBondContact CB-O 3.37Å; K136-D236 WeakPolarHBondContact CD-O 3.37Å; K136-D236 IonicContact NZ-OD1 2.85Å; K136-D236 PolarHBondContact NZ-OD1 3.27Å; K136-N237 PolarHBondContact N-O 3.33Å
137	N	97.8	Very high	98.5	Very high	80 Å²	80	40 Å²	40	43%	0.428	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	68.1	170.6	-174.4	-7	0	0	0	109.6	N134 E139 K140 T141	N134-N137 CarbonylContact O-C 3.42Å; N134-N137 PolarHBondContact OD1-N 2.83Å; N137-E139 VanDerWaalsContact C-N 3.33Å; N137-E139 PolarHBondContact O-N 2.88Å; N137-K140 PolarHBondContact O-N 3.19Å; N137-K140 WeakPolarHBondContact OD1-CB 3.45Å; N137-K140 PolarHBondContact OD1-N 2.8Å; N137-T141 PolarHBondContact O-N 3.09Å
138	W	98.4	Very high	98.5	Very high	111 Å²	111	40.3 Å²	40.3	42%	0.42	20%	0.203	S	C	.	.	H	α-helix	trans	-71.2	-27.6	-171	63	-94.4	0	0	0	112.7	N134 K140 T141 I142 V188	N134-W138 WeakPolarHBondContact O-CA 3.39Å; W138-K140 VanDerWaalsContact C-N 3.34Å; W138-K140 PolarHBondContact O-N 3.48Å; W138-T141 WeakPolarHBondContact O-CA 3.37Å; W138-T141 VanDerWaalsContact O-CB 3.31Å; W138-T141 WeakPolarHBondContact O-CB 3.36Å; W138-T141 PolarHBondContact O-N 2.71Å; W138-T141 VanDerWaalsContact O-N 3.11Å; W138-I142 HydrophobicContact CE3-CD1 3.62Å; W138-I142 HydrophobicContact CE3-CG1 4.45Å; W138-I142 HydrophobicContact CZ3-CD1 3.6Å; W138-I142 PolarHBondContact O-N 3.14Å; W138-V188 HydrophobicContact CB-CB 4.01Å; W138-V188 HydrophobicContact CB-CG1 3.98Å; W138-V188 HydrophobicContact CB-CG2 3.83Å; W138-V188 HydrophobicContact CE3-CG1 4.45Å; W138-V188 HydrophobicContact CG-CG2 4.31Å
139	E	98.6	Very high	98.5	Very high	92 Å²	92	40.2 Å²	40.2	43%	0.43	20%	0.202	S	C	.	.	H	α-helix	trans	-61.2	-44.6	174.3	-65.9	87.3	157.4	0	0	110.5	N137 T141 I142 Q143	N137-E139 VanDerWaalsContact C-N 3.33Å; N137-E139 PolarHBondContact O-N 2.88Å; E139-T141 VanDerWaalsContact C-N 3.27Å; E139-T141 PolarHBondContact O-N 3.4Å; E139-I142 PolarHBondContact O-N 3.28Å; E139-I142 VanDerWaalsContact O-N 3.15Å; E139-Q143 WeakPolarHBondContact O-CG 3.11Å; E139-Q143 PolarHBondContact O-N 3.04Å
140	K	98.4	Very high	98.5	Very high	62 Å²	62	41.6 Å²	41.6	27%	0.27	21%	0.209	S	C	.	.	H	α-helix	trans	-62.9	-36.2	174.8	-173.3	68.8	177.1	-171.8	0	110.9	D102 T104 I132 N137 W138 I142 Q143 V144	D102-K140 IonicContact OD1-NZ 3.46Å; D102-K140 IonicContact OD2-NZ 2.68Å; D102-K140 PolarHBondContact OD2-NZ 2.86Å; T104-K140 HydrophobicContact CG2-CD 4.26Å; T104-K140 PolarHBondContact OG1-NZ 3.48Å; I132-K140 HydrophobicContact CD1-CB 4.35Å; I132-K140 HydrophobicContact CD1-CG 3.83Å; N137-K140 PolarHBondContact O-N 3.19Å; N137-K140 WeakPolarHBondContact OD1-CB 3.45Å; N137-K140 PolarHBondContact OD1-N 2.8Å; W138-K140 VanDerWaalsContact C-N 3.34Å; W138-K140 PolarHBondContact O-N 3.48Å; K140-I142 VanDerWaalsContact C-N 3.34Å; K140-I142 PolarHBondContact O-N 3.31Å; K140-Q143 PolarHBondContact O-N 2.93Å; K140-V144 HydrophobicContact CD-CG2 4.2Å; K140-V144 HydrophobicContact CG-CG2 4.25Å; K140-V144 WeakPolarHBondContact O-CG2 3.43Å; K140-V144 PolarHBondContact O-N 3.25Å
141	T	98.7	Very high	98.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-42.3	173.7	-67.3	0	0	0	0	111.5	N134 N137 W138 E139 N145 V188 T192	N134-T141 PolarHBondContact N-OG1 3.42Å; N134-T141 PolarHBondContact O-OG1 3.02Å; N137-T141 PolarHBondContact O-N 3.09Å; W138-T141 WeakPolarHBondContact O-CA 3.37Å; W138-T141 VanDerWaalsContact O-CB 3.31Å; W138-T141 WeakPolarHBondContact O-CB 3.36Å; W138-T141 PolarHBondContact O-N 2.71Å; W138-T141 VanDerWaalsContact O-N 3.11Å; E139-T141 VanDerWaalsContact C-N 3.27Å; E139-T141 PolarHBondContact O-N 3.4Å; T141-N145 WeakPolarHBondContact O-CB 3.29Å; T141-N145 PolarHBondContact O-N 3.45Å; T141-V188 HydrophobicContact CG2-CG1 4.42Å; T141-T192 HydrophobicContact CG2-CG2 4.22Å
142	I	98.9	Very high	98.5	Very high	52 Å²	52	43.1 Å²	43.1	27%	0.267	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-46.5	173.8	-63.7	174.3	0	0	0	111.2	W138 E139 K140 V144 L146 T147 V188 T192	W138-I142 HydrophobicContact CE3-CD1 3.62Å; W138-I142 HydrophobicContact CE3-CG1 4.45Å; W138-I142 HydrophobicContact CZ3-CD1 3.6Å; W138-I142 PolarHBondContact O-N 3.14Å; E139-I142 PolarHBondContact O-N 3.28Å; E139-I142 VanDerWaalsContact O-N 3.15Å; K140-I142 VanDerWaalsContact C-N 3.34Å; K140-I142 PolarHBondContact O-N 3.31Å; I142-V144 VanDerWaalsContact C-N 3.34Å; I142-V144 PolarHBondContact O-N 3.15Å; I142-L146 PolarHBondContact O-N 2.99Å; I142-T147 PolarHBondContact O-N 3.19Å; I142-V188 HydrophobicContact CD1-CG1 4.1Å; I142-V188 HydrophobicContact CG1-CG1 3.73Å; I142-T192 HydrophobicContact CB-CG2 4.37Å; I142-T192 HydrophobicContact CG1-CG2 3.91Å
143	Q	98.8	Very high	98.6	Very high	78 Å²	78	40.4 Å²	40.4	36%	0.364	19%	0.191	S	C	.	.	I	π-helix	trans	-59.7	-43.9	-178.9	-69.4	-59.3	-31.7	0	0	112.2	T104 E139 K140 T147 S148	T104-Q143 HydrophobicContact CG2-CB 3.82Å; E139-Q143 WeakPolarHBondContact O-CG 3.11Å; E139-Q143 PolarHBondContact O-N 3.04Å; K140-Q143 PolarHBondContact O-N 2.93Å; Q143-T147 WeakPolarHBondContact O-CB 3.45Å; Q143-S148 WeakPolarHBondContact O-CB 3.4Å; Q143-S148 PolarHBondContact O-N 2.98Å
144	V	98.8	Very high	98.6	Very high	10 Å²	10	45.8 Å²	45.8	6%	0.061	21%	0.212	C	C	.	.	I	π-helix	trans	-75.4	-55.9	178.3	178.2	0	0	0	0	110.6	V103 T104 I132 K140 I142 L146 S148	V103-V144 HydrophobicContact CG2-CG1 4.27Å; T104-V144 HydrophobicContact CG2-CB 4.4Å; T104-V144 HydrophobicContact CG2-CG2 3.49Å; T104-V144 VanDerWaalsContact CG2-CG2 3.49Å; I132-V144 HydrophobicContact CD1-CB 4.38Å; I132-V144 HydrophobicContact CD1-CG2 4.07Å; I132-V144 HydrophobicContact CG1-CB 4.1Å; I132-V144 HydrophobicContact CG1-CG1 4.34Å; I132-V144 HydrophobicContact CG1-CG2 4.3Å; I132-V144 HydrophobicContact CG2-CG1 4.33Å; K140-V144 HydrophobicContact CD-CG2 4.2Å; K140-V144 HydrophobicContact CG-CG2 4.25Å; K140-V144 WeakPolarHBondContact O-CG2 3.43Å; K140-V144 PolarHBondContact O-N 3.25Å; I142-V144 VanDerWaalsContact C-N 3.34Å; I142-V144 PolarHBondContact O-N 3.15Å; V144-L146 PolarHBondContact O-N 2.87Å; V144-S148 WeakPolarHBondContact O-CB 3.37Å; V144-S148 PolarHBondContact O-OG 3.42Å
145	N	98.9	Very high	98.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-80.5	-19.1	-164.5	-64.5	5.7	0	0	0	114.4	G131 I132 T141 V149 Y189 T192 V196	G131-N145 VanDerWaalsContact CA-OD1 3.24Å; G131-N145 WeakPolarHBondContact CA-OD1 3.45Å; I132-N145 PolarHBondContact N-OD1 2.96Å; I132-N145 PolarHBondContact O-ND2 3.18Å; I132-N145 PolarHBondContact O-OD1 3.4Å; T141-N145 WeakPolarHBondContact O-CB 3.29Å; T141-N145 PolarHBondContact O-N 3.45Å; N145-V149 WeakPolarHBondContact O-CG2 3.44Å; N145-Y189 VanDerWaalsContact ND2-CD2 3.31Å; N145-Y189 WeakPolarHBondContact ND2-CD2 3.35Å; N145-Y189 WeakPolarHBondContact ND2-CE2 3.12Å; N145-T192 HydrophobicContact CB-CG2 4.1Å; N145-T192 WeakPolarHBondContact CB-OG1 3.21Å; N145-V196 VanDerWaalsContact O-CG2 3.27Å; N145-V196 WeakPolarHBondContact O-CG2 3.16Å
146	L	98.9	Very high	98.7	Very high	38 Å²	38	44.3 Å²	44.3	20%	0.199	20%	0.204	C	C	.	.	I	π-helix	trans	-124.7	-58	-178.1	-178.4	59.7	0	0	0	111.7	I142 V144 S148 V149 I150 T192 V196	I142-L146 PolarHBondContact O-N 2.99Å; V144-L146 PolarHBondContact O-N 2.87Å; L146-S148 VanDerWaalsContact C-N 3.33Å; L146-S148 PolarHBondContact O-N 3.08Å; L146-V149 WeakPolarHBondContact O-CB 3.33Å; L146-V149 PolarHBondContact O-N 3.39Å; L146-V149 VanDerWaalsContact O-N 3.14Å; L146-I150 HydrophobicContact CD1-CD1 3.97Å; L146-I150 HydrophobicContact CD1-CG1 4.37Å; L146-I150 HydrophobicContact CG-CD1 4.05Å; L146-I150 WeakPolarHBondContact O-CG1 3.33Å; L146-I150 PolarHBondContact O-N 2.95Å; L146-T192 HydrophobicContact CB-CG2 4.39Å; L146-V196 HydrophobicContact CD1-CG2 4.14Å
147	T	98.9	Very high	98.8	Very high	36 Å²	36	39.3 Å²	39.3	22%	0.221	18%	0.183	C	C	.	.	I	π-helix	trans	-60.6	-43.3	-175.9	-52.4	0	0	0	0	111.5	I142 Q143 V149 I150 K151	I142-T147 PolarHBondContact O-N 3.19Å; Q143-T147 WeakPolarHBondContact O-CB 3.45Å; T147-V149 VanDerWaalsContact C-N 3.34Å; T147-V149 PolarHBondContact O-N 2.9Å; T147-I150 PolarHBondContact O-N 2.82Å; T147-K151 HydrophobicContact CG2-CD 4.22Å; T147-K151 WeakPolarHBondContact O-CG 3.4Å; T147-K151 PolarHBondContact O-N 3.05Å
148	S	98.9	Very high	98.8	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-69	-31.6	178.6	89.8	0	0	0	0	113.2	V103 Q143 V144 L146 K151 G152	V103-S148 WeakPolarHBondContact CG2-OG 3.41Å; V103-S148 WeakPolarHBondContact O-CB 3.38Å; Q143-S148 WeakPolarHBondContact O-CB 3.4Å; Q143-S148 PolarHBondContact O-N 2.98Å; V144-S148 WeakPolarHBondContact O-CB 3.37Å; V144-S148 PolarHBondContact O-OG 3.42Å; L146-S148 VanDerWaalsContact C-N 3.33Å; L146-S148 PolarHBondContact O-N 3.08Å; S148-K151 PolarHBondContact O-N 3.42Å; S148-G152 PolarHBondContact O-N 3.1Å
149	V	98.9	Very high	98.8	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-43.4	174.5	175.3	0	0	0	0	110.5	N128 N145 L146 T147 T153 N173 V196	N128-V149 HydrophobicContact CB-CG1 4.14Å; N128-V149 HydrophobicContact CB-CG2 4.3Å; N145-V149 WeakPolarHBondContact O-CG2 3.44Å; L146-V149 WeakPolarHBondContact O-CB 3.33Å; L146-V149 PolarHBondContact O-N 3.39Å; L146-V149 VanDerWaalsContact O-N 3.14Å; T147-V149 VanDerWaalsContact C-N 3.34Å; T147-V149 PolarHBondContact O-N 2.9Å; V149-T153 WeakPolarHBondContact O-CB 3.34Å; V149-T153 PolarHBondContact O-N 3.36Å; V149-T153 PolarHBondContact O-OG1 3.47Å; V149-N173 HydrophobicContact CG1-CB 3.9Å; V149-V196 HydrophobicContact CB-CG2 4.45Å; V149-V196 HydrophobicContact CG1-CG1 4.36Å; V149-V196 HydrophobicContact CG1-CG2 4.31Å; V149-V196 HydrophobicContact CG2-CG2 4.3Å
150	I	98.9	Very high	98.8	Very high	51 Å²	51	30.2 Å²	30.2	26%	0.262	14%	0.143	S	C	.	.	H	α-helix	trans	-62	-51.4	175.8	-66.4	167.8	0	0	0	110	L146 T147 G152 T153 Y154 F199	L146-I150 HydrophobicContact CD1-CD1 3.97Å; L146-I150 HydrophobicContact CD1-CG1 4.37Å; L146-I150 HydrophobicContact CG-CD1 4.05Å; L146-I150 WeakPolarHBondContact O-CG1 3.33Å; L146-I150 PolarHBondContact O-N 2.95Å; T147-I150 PolarHBondContact O-N 2.82Å; I150-G152 PolarHBondContact O-N 3.01Å; I150-T153 PolarHBondContact O-N 2.88Å; I150-Y154 HydrophobicContact CG2-CD2 3.8Å; I150-Y154 HydrophobicContact CG2-CE2 3.39Å; I150-Y154 VanDerWaalsContact O-CD2 3.3Å; I150-Y154 WeakPolarHBondContact O-CD2 3.37Å; I150-Y154 PolarHBondContact O-N 3.35Å; I150-F199 HydrophobicContact CB-CE1 4.39Å; I150-F199 HydrophobicContact CB-CE2 4.37Å; I150-F199 HydrophobicContact CB-CZ 4.14Å; I150-F199 HydrophobicContact CG1-CD1 3.98Å; I150-F199 HydrophobicContact CG1-CD2 3.95Å; I150-F199 HydrophobicContact CG1-CE1 4.01Å; I150-F199 HydrophobicContact CG1-CE2 3.98Å; I150-F199 HydrophobicContact CG1-CG 3.95Å; I150-F199 HydrophobicContact CG1-CZ 4.01Å; I150-F199 HydrophobicContact CG2-CE2 4.01Å; I150-F199 HydrophobicContact CG2-CZ 4.06Å
151	K	98.9	Very high	98.8	Very high	73 Å²	73	27.3 Å²	27.3	32%	0.317	13%	0.13	S	C	.	.	H	α-helix	trans	-58	-49	177.7	-73.3	173.4	176	174.7	0	112.1	L109 T147 S148 T153 Y154 L155	L109-K151 HydrophobicContact CD2-CB 4.21Å; T147-K151 HydrophobicContact CG2-CD 4.22Å; T147-K151 WeakPolarHBondContact O-CG 3.4Å; T147-K151 PolarHBondContact O-N 3.05Å; S148-K151 PolarHBondContact O-N 3.42Å; K151-T153 VanDerWaalsContact C-N 3.28Å; K151-T153 PolarHBondContact O-N 2.66Å; K151-Y154 PolarHBondContact O-N 3.23Å; K151-L155 WeakPolarHBondContact O-CG 3.24Å; K151-L155 PolarHBondContact O-N 3.02Å
152	G	98.9	Very high	98.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.8	-36	178.8	0	0	0	0	0	112.5	F113 S148 I150 A156	F113-G152 WeakPolarHBondContact CZ-O 3.23Å; S148-G152 PolarHBondContact O-N 3.1Å; I150-G152 PolarHBondContact O-N 3.01Å; G152-A156 WeakPolarHBondContact O-CB 3.29Å; G152-A156 PolarHBondContact O-N 3.21Å
153	T	98.9	Very high	98.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-42.3	174.3	-60	0	0	0	0	111.9	N128 V149 I150 K151 A156 L157 I171 N173 F199 I216	N128-T153 PolarHBondContact ND2-OG1 2.98Å; V149-T153 WeakPolarHBondContact O-CB 3.34Å; V149-T153 PolarHBondContact O-N 3.36Å; V149-T153 PolarHBondContact O-OG1 3.47Å; I150-T153 PolarHBondContact O-N 2.88Å; K151-T153 VanDerWaalsContact C-N 3.28Å; K151-T153 PolarHBondContact O-N 2.66Å; T153-A156 WeakPolarHBondContact O-CB 3.14Å; T153-A156 PolarHBondContact O-N 3.34Å; T153-L157 WeakPolarHBondContact O-CG 3.36Å; T153-L157 PolarHBondContact O-N 2.95Å; T153-I171 HydrophobicContact CG2-CD1 3.98Å; T153-N173 PolarHBondContact OG1-ND2 3.49Å; T153-N173 PolarHBondContact OG1-OD1 2.89Å; T153-F199 HydrophobicContact CG2-CE1 3.83Å; T153-F199 HydrophobicContact CG2-CZ 3.81Å; T153-I216 HydrophobicContact CG2-CD1 4.32Å
154	Y	98.9	Very high	98.6	Very high	115 Å²	115	36.8 Å²	36.8	45%	0.451	17%	0.168	S	C	.	.	H	α-helix	trans	-66.6	-44	176	-70.9	-53.2	0	0	0	112.5	I150 K151 A156 L157 E158 M203	I150-Y154 HydrophobicContact CG2-CD2 3.8Å; I150-Y154 HydrophobicContact CG2-CE2 3.39Å; I150-Y154 VanDerWaalsContact O-CD2 3.3Å; I150-Y154 WeakPolarHBondContact O-CD2 3.37Å; I150-Y154 PolarHBondContact O-N 3.35Å; K151-Y154 PolarHBondContact O-N 3.23Å; Y154-A156 VanDerWaalsContact C-N 3.27Å; Y154-A156 PolarHBondContact O-N 3.04Å; Y154-L157 HydrophobicContact CD1-CD1 4.43Å; Y154-L157 WeakPolarHBondContact O-CB 3.43Å; Y154-L157 PolarHBondContact O-N 3.36Å; Y154-E158 PolarHBondContact O-N 3.07Å; Y154-M203 HydrophobicContact CE1-CE 3.99Å; Y154-M203 HydrophobicContact CE1-SD 4.11Å
155	L	98.9	Very high	98.5	Very high	8 Å²	8	39.7 Å²	39.7	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-41.2	173.8	-69.9	170	0	0	0	111.5	L109 R110 F113 K151 L157 E158 H159	L109-L155 HydrophobicContact CB-CD1 4.2Å; L109-L155 HydrophobicContact CD2-CD1 3.94Å; L109-L155 HydrophobicContact CG-CD1 3.67Å; R110-L155 HydrophobicContact CB-CD1 4.44Å; R110-L155 HydrophobicContact CB-CD2 4Å; R110-L155 HydrophobicContact CG-CD2 3.98Å; R110-L155 VanDerWaalsContact NH1-CD2 3.27Å; F113-L155 HydrophobicContact CD1-CB 3.96Å; F113-L155 HydrophobicContact CD2-CB 4.13Å; F113-L155 HydrophobicContact CD2-CD1 4.06Å; F113-L155 HydrophobicContact CE1-CB 3.95Å; F113-L155 HydrophobicContact CE2-CB 4.09Å; F113-L155 HydrophobicContact CE2-CD1 4.16Å; F113-L155 HydrophobicContact CG-CB 4.05Å; F113-L155 HydrophobicContact CZ-CB 4Å; K151-L155 WeakPolarHBondContact O-CG 3.24Å; K151-L155 PolarHBondContact O-N 3.02Å; L155-L157 VanDerWaalsContact C-N 3.3Å; L155-L157 PolarHBondContact O-N 3.28Å; L155-E158 WeakPolarHBondContact O-CB 3.38Å; L155-E158 PolarHBondContact O-N 3.13Å; L155-H159 PolarHBondContact O-CD2 2.77Å; L155-H159 PolarHBondContact O-N 3.35Å
156	A	98.9	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57.5	-41.9	174.3	0	0	0	0	0	112	F113 V126 G152 T153 Y154 H159 M160 I171	F113-A156 HydrophobicContact CE1-CB 3.9Å; F113-A156 HydrophobicContact CZ-CB 4.43Å; V126-A156 HydrophobicContact CB-CB 4Å; V126-A156 HydrophobicContact CG1-CB 4.15Å; V126-A156 HydrophobicContact CG2-CB 3.7Å; G152-A156 WeakPolarHBondContact O-CB 3.29Å; G152-A156 PolarHBondContact O-N 3.21Å; T153-A156 WeakPolarHBondContact O-CB 3.14Å; T153-A156 PolarHBondContact O-N 3.34Å; Y154-A156 VanDerWaalsContact C-N 3.27Å; Y154-A156 PolarHBondContact O-N 3.04Å; A156-H159 PolarHBondContact O-N 3.46Å; A156-M160 HydrophobicContact CB-CE 3.56Å; A156-M160 VanDerWaalsContact O-CB 3.25Å; A156-M160 WeakPolarHBondContact O-CB 3.37Å; A156-M160 WeakPolarHBondContact O-CE 3.31Å; A156-M160 WeakPolarHBondContact O-CG 3.44Å; A156-M160 PolarHBondContact O-N 3.07Å; A156-I171 HydrophobicContact CB-CD1 3.49Å; A156-I171 VanDerWaalsContact CB-CD1 3.49Å; A156-I171 HydrophobicContact CB-CG1 3.93Å
157	L	98.8	Very high	98.3	Very high	10 Å²	10	49.8 Å²	49.8	5%	0.052	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-42.1	175.2	-66.2	175.4	0	0	0	112.3	T153 Y154 L155 H159 M160 S161 Y164 I171 M203 Y212 V214	T153-L157 WeakPolarHBondContact O-CG 3.36Å; T153-L157 PolarHBondContact O-N 2.95Å; Y154-L157 HydrophobicContact CD1-CD1 4.43Å; Y154-L157 WeakPolarHBondContact O-CB 3.43Å; Y154-L157 PolarHBondContact O-N 3.36Å; L155-L157 VanDerWaalsContact C-N 3.3Å; L155-L157 PolarHBondContact O-N 3.28Å; L157-H159 PolarHBondContact O-N 2.82Å; L157-H159 VanDerWaalsContact O-N 3.16Å; L157-M160 PolarHBondContact O-N 3.23Å; L157-S161 WeakPolarHBondContact O-CB 3.23Å; L157-S161 PolarHBondContact O-N 2.92Å; L157-Y164 VanDerWaalsContact O-CD2 3.31Å; L157-Y164 WeakPolarHBondContact O-CD2 3.49Å; L157-I171 HydrophobicContact CD2-CD1 4.28Å; L157-I171 HydrophobicContact CG-CD1 4.44Å; L157-M203 HydrophobicContact CD1-CE 3.58Å; L157-Y212 HydrophobicContact CD1-CD2 4.23Å; L157-Y212 HydrophobicContact CD1-CE2 4.26Å; L157-Y212 HydrophobicContact CD2-CD2 4.03Å; L157-V214 HydrophobicContact CD2-CB 3.87Å; L157-V214 HydrophobicContact CD2-CG1 3.95Å; L157-V214 HydrophobicContact CD2-CG2 3.96Å
158	E	98.6	Very high	98.2	Very high	63 Å²	63	48.5 Å²	48.5	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-54.9	-33.9	175.2	-66.4	174.6	-156	0	0	112.3	R110 Y154 L155 Y164	R110-E158 IonicContact CZ-OE2 3.33Å; R110-E158 IonicContact NH1-OE1 3.54Å; R110-E158 PolarHBondContact NH1-OE1 3.04Å; R110-E158 IonicContact NH1-OE2 3.4Å; R110-E158 PolarHBondContact NH1-OE2 2.71Å; R110-E158 IonicContact NH2-OE1 2.95Å; Y154-E158 PolarHBondContact O-N 3.07Å; L155-E158 WeakPolarHBondContact O-CB 3.38Å; L155-E158 PolarHBondContact O-N 3.13Å; E158-Y164 HydrophobicContact CG-CE2 4.4Å
159	H	98.6	Very high	98.2	Very high	29 Å²	29	48.9 Å²	48.9	13%	0.134	24%	0.242	C	C	.	.	H	α-helix	trans	-96.8	-15.8	-177.9	-70.6	-74	0	0	0	115.2	F113 L123 L155 A156 L157 K166	F113-H159 AromaticContact CD1-CD2 3.82Å; L123-H159 HydrophobicContact CB-CB 4.41Å; L123-H159 HydrophobicContact CD2-CB 3.83Å; L155-H159 PolarHBondContact O-CD2 2.77Å; L155-H159 PolarHBondContact O-N 3.35Å; A156-H159 PolarHBondContact O-N 3.46Å; L157-H159 PolarHBondContact O-N 2.82Å; L157-H159 VanDerWaalsContact O-N 3.16Å; H159-K166 WeakPolarHBondContact O-CG 3.14Å
160	M	98.6	Very high	98.2	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-125.4	-21.9	-173.7	-62.2	-170.4	-67.8	0	0	115.3	L123 D124 V126 A156 L157 K166 G168 I171 V214	L123-M160 HydrophobicContact CB-CG 4.23Å; L123-M160 HydrophobicContact CD2-CG 4.26Å; L123-M160 HydrophobicContact CD2-SD 4.48Å; L123-M160 HydrophobicContact CG-CG 4.03Å; L123-M160 HydrophobicContact CG-SD 4.03Å; L123-M160 WeakPolarHBondContact O-CG 3.38Å; D124-M160 VanDerWaalsContact O-SD 3.41Å; V126-M160 HydrophobicContact CB-CE 4.25Å; V126-M160 HydrophobicContact CG2-CE 3.68Å; V126-M160 HydrophobicContact CG2-SD 4.27Å; A156-M160 HydrophobicContact CB-CE 3.56Å; A156-M160 VanDerWaalsContact O-CB 3.25Å; A156-M160 WeakPolarHBondContact O-CB 3.37Å; A156-M160 WeakPolarHBondContact O-CE 3.31Å; A156-M160 WeakPolarHBondContact O-CG 3.44Å; A156-M160 PolarHBondContact O-N 3.07Å; L157-M160 PolarHBondContact O-N 3.23Å; M160-K166 VanDerWaalsContact C-CB 3.4Å; M160-K166 VanDerWaalsContact O-CB 3.3Å; M160-K166 WeakPolarHBondContact O-CB 3.43Å; M160-G168 CarbonylContact O-C 3.57Å; M160-G168 WeakPolarHBondContact O-CA 3.46Å; M160-G168 PolarHBondContact O-N 3.04Å; M160-I171 HydrophobicContact CE-CD1 4.03Å; M160-I171 HydrophobicContact CE-CG1 3.58Å; M160-V214 HydrophobicContact CB-CG2 3.94Å; M160-V214 HydrophobicContact CE-CG1 4.46Å
161	S	98.4	Very high	98.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.			trans	-74.9	142.2	-173.5	177.3	0	0	0	0	112.8	L157 E163 Y164 K166 Y212	L157-S161 WeakPolarHBondContact O-CB 3.23Å; L157-S161 PolarHBondContact O-N 2.92Å; S161-E163 PolarHBondContact O-N 2.71Å; S161-E163 WeakPolarHBondContact OG-CB 3.41Å; S161-E163 PolarHBondContact OG-N 2.89Å; S161-Y164 PolarHBondContact O-N 3.1Å; S161-K166 VanDerWaalsContact O-CB 3.28Å; S161-K166 WeakPolarHBondContact O-CB 3.33Å; S161-K166 WeakPolarHBondContact O-CG 3.24Å; S161-K166 PolarHBondContact O-N 3.39Å; S161-Y212 WeakPolarHBondContact CA-O 3.33Å; S161-Y212 WeakPolarHBondContact OG-CA 3.19Å; S161-Y212 VanDerWaalsContact OG-CB 3.29Å; S161-Y212 WeakPolarHBondContact OG-CB 3.43Å; S161-Y212 PolarHBondContact OG-O 2.89Å
162	K	98	Very high	98.2	Very high	95 Å²	95	43.1 Å²	43.1	41%	0.413	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-58.1	-26.6	170.7	-68.3	-179.3	-173.7	162.9	0	112.8	Y164 G165 D211 Y212	K162-Y164 PolarHBondContact O-N 3.18Å; K162-G165 WeakPolarHBondContact O-CA 3.49Å; K162-G165 PolarHBondContact O-N 2.96Å; K162-D211 WeakPolarHBondContact CD-O 3.38Å; K162-D211 IonicContact NZ-OD1 2.79Å; K162-D211 PolarHBondContact NZ-OD1 3.18Å; K162-D211 IonicContact NZ-OD2 3.24Å; K162-D211 PolarHBondContact NZ-OD2 3.45Å; K162-Y212 PolarHBondContact N-O 3.33Å
163	E	96.4	Very high	98.2	Very high	117 Å²	117	43.1 Å²	43.1	55%	0.547	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-55.3	-34	173	-171.9	-174	157.4	0	0	111.8	S161 Y212	S161-E163 PolarHBondContact O-N 2.71Å; S161-E163 WeakPolarHBondContact OG-CB 3.41Å; S161-E163 PolarHBondContact OG-N 2.89Å; E163-Y212 WeakPolarHBondContact OE2-CE1 3.35Å
164	Y	96.9	Very high	98.2	Very high	118 Å²	118	43.5 Å²	43.5	46%	0.463	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-99.5	21.3	176.5	-57.9	-77.8	0	0	0	112.7	L157 E158 S161 K162 K166	L157-Y164 VanDerWaalsContact O-CD2 3.31Å; L157-Y164 WeakPolarHBondContact O-CD2 3.49Å; E158-Y164 HydrophobicContact CG-CE2 4.4Å; S161-Y164 PolarHBondContact O-N 3.1Å; K162-Y164 PolarHBondContact O-N 3.18Å; Y164-K166 VanDerWaalsContact C-N 3.34Å; Y164-K166 PolarHBondContact O-N 2.87Å
165	G	96.9	Very high	98.2	Very high	71 Å²	71	38.1 Å²	38.1	73%	0.732	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.6	27.1	179.1	0	0	0	0	0	114.3	K162	K162-G165 WeakPolarHBondContact O-CA 3.49Å; K162-G165 PolarHBondContact O-N 2.96Å
166	K	97.7	Very high	98.2	Very high	102 Å²	102	38.4 Å²	38.4	44%	0.443	20%	0.2	S	C	.	.			trans	-100.4	176.6	-179.8	-48.8	-62.6	179.8	-174	0	111.7	H159 M160 S161 Y164	H159-K166 WeakPolarHBondContact O-CG 3.14Å; M160-K166 VanDerWaalsContact C-CB 3.4Å; M160-K166 VanDerWaalsContact O-CB 3.3Å; M160-K166 WeakPolarHBondContact O-CB 3.43Å; S161-K166 VanDerWaalsContact O-CB 3.28Å; S161-K166 WeakPolarHBondContact O-CB 3.33Å; S161-K166 WeakPolarHBondContact O-CG 3.24Å; S161-K166 PolarHBondContact O-N 3.39Å; Y164-K166 VanDerWaalsContact C-N 3.34Å; Y164-K166 PolarHBondContact O-N 2.87Å
167	E	96.1	Very high	98.1	Very high	148 Å²	148	39.4 Å²	39.4	69%	0.692	21%	0.205	S	C	*	.			trans	-90.2	-0.9	-170.5	-62.5	-177.5	167.9	0	0	114.4	R122	R122-E167 IonicContact CZ-OE2 3.81Å; R122-E167 IonicContact NH1-OE2 3.9Å; R122-E167 PolarHBondContact NH1-OE2 2.86Å; R122-E167 IonicContact NH2-OE2 3.46Å; R122-E167 PolarHBondContact NH2-OE2 2.99Å
168	G	97.9	Very high	97.9	Very high	8 Å²	8	39.5 Å²	39.5	8%	0.082	21%	0.207	C	C	.	.			trans	89.3	-176.2	-169	0	0	0	0	0	112.9	M160 G213	M160-G168 CarbonylContact O-C 3.57Å; M160-G168 WeakPolarHBondContact O-CA 3.46Å; M160-G168 PolarHBondContact O-N 3.04Å; G168-G213 CarbonylContact C-O 3.55Å; G168-G213 WeakPolarHBondContact CA-O 3.33Å
169	G	98.3	Very high	97.8	Very high	14 Å²	14	36.9 Å²	36.9	14%	0.144	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.9	-164.6	-176.3	0	0	0	0	0	114.1	D124 G213 V214 R215	D124-G169 CarbonylContact O-C 3.54Å; D124-G169 WeakPolarHBondContact O-CA 3.46Å; G169-G213 PolarHBondContact N-O 3.4Å; G169-G213 VanDerWaalsContact N-O 3.07Å; G169-V214 WeakPolarHBondContact O-CA 3.49Å; G169-R215 PolarHBondContact O-N 3.19Å
170	T	98.8	Very high	97.6	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.7	177.9	-57.7	0	0	0	0	111.7	D124 I125 V126 R215	D124-T170 PolarHBondContact O-N 3.02Å; I125-T170 CarbonylContact C-O 3.59Å; I125-T170 VanDerWaalsContact CA-O 3.3Å; I125-T170 WeakPolarHBondContact CA-O 3.33Å; V126-T170 PolarHBondContact N-O 3.2Å; T170-R215 CarbonylContact C-O 3.48Å; T170-R215 WeakPolarHBondContact CA-O 3.43Å; T170-R215 HydrophobicContact CG2-CB 4.44Å; T170-R215 VanDerWaalsContact OG1-CZ 3.31Å; T170-R215 PolarHBondContact OG1-NE 3.36Å; T170-R215 PolarHBondContact OG1-NH2 2.97Å
171	I	98.9	Very high	96.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.5	176.4	-57.4	172.7	0	0	0	108.5	V126 T153 A156 L157 M160 V214 R215 I216 N217	V126-I171 HydrophobicContact CB-CG1 4.4Å; V126-I171 CarbonylContact O-C 3.56Å; V126-I171 WeakPolarHBondContact O-CA 3.22Å; T153-I171 HydrophobicContact CG2-CD1 3.98Å; A156-I171 HydrophobicContact CB-CD1 3.49Å; A156-I171 VanDerWaalsContact CB-CD1 3.49Å; A156-I171 HydrophobicContact CB-CG1 3.93Å; L157-I171 HydrophobicContact CD2-CD1 4.28Å; L157-I171 HydrophobicContact CG-CD1 4.44Å; M160-I171 HydrophobicContact CE-CD1 4.03Å; M160-I171 HydrophobicContact CE-CG1 3.58Å; I171-V214 HydrophobicContact CD1-CG1 3.76Å; I171-V214 HydrophobicContact CG1-CG1 3.84Å; I171-R215 PolarHBondContact N-O 2.95Å; I171-I216 HydrophobicContact CB-CB 4.5Å; I171-I216 HydrophobicContact CB-CG1 4.31Å; I171-I216 HydrophobicContact CB-CG2 4.07Å; I171-I216 HydrophobicContact CD1-CD1 4.3Å; I171-I216 HydrophobicContact CD1-CG1 4.24Å; I171-I216 HydrophobicContact CG2-CG2 4.19Å; I171-I216 WeakPolarHBondContact O-CA 3.34Å; I171-N217 PolarHBondContact O-N 3.28Å
172	I	98.9	Very high	96	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.8	168.5	-62.3	170.5	0	0	0	108.7	V126 I127 N128 N217 L219 M267 L270 I271	V126-I172 PolarHBondContact O-N 3Å; I127-I172 CarbonylContact C-O 3.59Å; I127-I172 WeakPolarHBondContact CA-O 3.24Å; I127-I172 HydrophobicContact CG1-CB 4.43Å; I127-I172 HydrophobicContact CG2-CB 4.39Å; N128-I172 PolarHBondContact N-O 3.15Å; I172-N217 WeakPolarHBondContact CA-O 3.48Å; I172-L219 HydrophobicContact CG2-CB 4.15Å; I172-M267 HydrophobicContact CD1-CB 3.88Å; I172-M267 HydrophobicContact CD1-CG 4.27Å; I172-M267 WeakPolarHBondContact CD1-O 3.35Å; I172-L270 HydrophobicContact CD1-CB 3.9Å; I172-L270 HydrophobicContact CD1-CD1 4.28Å; I172-L270 HydrophobicContact CG1-CB 4.23Å; I172-L270 HydrophobicContact CG1-CD1 4.25Å; I172-L270 HydrophobicContact CG2-CD1 4.24Å; I172-I271 HydrophobicContact CD1-CD1 3.9Å; I172-I271 HydrophobicContact CD1-CG1 3.67Å
173	N	98.9	Very high	95.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.2	170.6	-65.2	-29.3	0	0	0	109.7	N128 V149 T153 S175 V196 T200 N217 V218 L219	N128-N173 WeakPolarHBondContact CB-OD1 3.3Å; N128-N173 PolarHBondContact ND2-OD1 2.78Å; V149-N173 HydrophobicContact CG1-CB 3.9Å; T153-N173 PolarHBondContact OG1-ND2 3.49Å; T153-N173 PolarHBondContact OG1-OD1 2.89Å; N173-S175 PolarHBondContact O-N 3.18Å; N173-V196 HydrophobicContact CB-CG1 3.75Å; N173-T200 WeakPolarHBondContact CB-OG1 3.41Å; N173-T200 PolarHBondContact ND2-OG1 3.05Å; N173-N217 PolarHBondContact N-O 3.26Å; N173-V218 VanDerWaalsContact O-CA 3.3Å; N173-V218 WeakPolarHBondContact O-CA 3.42Å; N173-V218 WeakPolarHBondContact O-CG2 3.24Å; N173-L219 PolarHBondContact O-N 3.04Å
174	V	98.9	Very high	95	Very high	8 Å²	8	45 Å²	45	5%	0.048	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	105.8	-179.5	-176.7	0	0	0	0	110.6	I127 N128 N129 K193 M267	I127-V174 HydrophobicContact CG2-CG2 4.31Å; N128-V174 PolarHBondContact O-N 3.38Å; N129-V174 HydrophobicContact CB-CB 4.48Å; N129-V174 HydrophobicContact CB-CG2 3.74Å; V174-K193 PolarHBondContact O-NZ 3.04Å; V174-M267 HydrophobicContact CG2-CE 3.48Å; V174-M267 VanDerWaalsContact CG2-CE 3.48Å
175	S	98.6	Very high	94.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	23%	0.226	C	C	.	.			trans	-91.2	-143.8	168.6	-171.2	0	0	0	0	110.9	N173 K193 V218 L219	N173-S175 PolarHBondContact O-N 3.18Å; S175-K193 WeakPolarHBondContact OG-CB 3.33Å; S175-K193 PolarHBondContact OG-O 2.87Å; S175-V218 VanDerWaalsContact CB-CG2 3.41Å; S175-L219 CarbonylContact C-O 3.44Å; S175-L219 WeakPolarHBondContact CA-O 3.41Å; S175-L219 PolarHBondContact N-O 2.9Å
176	S	98.3	Very high	94.8	Very high	14 Å²	14	36.7 Å²	36.7	10%	0.098	19%	0.193	C	C	.	.			trans	-164.6	155.9	-178	178.5	0	0	0	0	110.7	A178 A179	S176-A178 PolarHBondContact O-N 2.9Å; S176-A178 PolarHBondContact OG-N 2.95Å; S176-A178 VanDerWaalsContact OG-N 3.1Å; S176-A179 WeakPolarHBondContact O-CB 3.48Å; S176-A179 PolarHBondContact O-N 3.04Å
177	M	97.3	Very high	94.8	Very high	21 Å²	21	34.3 Å²	34.3	10%	0.103	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.9	165.4	-75.9	-59.9	-55.6	0	0	113.8	A179 F180 L181 P221 A222 K282 T284	M177-A179 PolarHBondContact O-N 2.76Å; M177-A179 VanDerWaalsContact O-N 3.13Å; M177-F180 HydrophobicContact CE-CB 4.12Å; M177-F180 HydrophobicContact CE-CD2 4.33Å; M177-F180 PolarHBondContact O-N 3.12Å; M177-F180 HydrophobicContact SD-CD2 4.07Å; M177-L181 HydrophobicContact CE-CD1 3.85Å; M177-L181 HydrophobicContact CE-CG 4.06Å; M177-L181 PolarHBondContact O-N 2.98Å; M177-L181 VanDerWaalsContact O-N 3.07Å; M177-P221 PolarHBondContact N-O 3.27Å; M177-A222 HydrophobicContact CB-CB 4.45Å; M177-A222 HydrophobicContact CG-CB 3.98Å; M177-K282 HydrophobicContact CE-CD 4.34Å; M177-K282 HydrophobicContact SD-CB 3.94Å; M177-K282 HydrophobicContact SD-CD 3.77Å; M177-K282 HydrophobicContact SD-CG 3.75Å; M177-T284 HydrophobicContact CE-CG2 4.26Å; M177-T284 HydrophobicContact CG-CG2 4.15Å; M177-T284 HydrophobicContact SD-CG2 4.06Å
178	A	95.3	Very high	94.9	Very high	13 Å²	13	28.7 Å²	28.7	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-54.8	-27.7	169.3	0	0	0	0	0	112.1	S176 F180 H182 Y189 T190	S176-A178 PolarHBondContact O-N 2.9Å; S176-A178 PolarHBondContact OG-N 2.95Å; S176-A178 VanDerWaalsContact OG-N 3.1Å; A178-F180 PolarHBondContact O-N 3.23Å; A178-H182 WeakPolarHBondContact O-CA 3.43Å; A178-H182 PolarHBondContact O-N 2.82Å; A178-Y189 HydrophobicContact CB-CD1 4.13Å; A178-Y189 HydrophobicContact CB-CE1 4.02Å; A178-T190 WeakPolarHBondContact O-CG2 3.5Å
179	A	95.6	Very high	94.9	Very high	7 Å²	7	29.3 Å²	29.3	6%	0.058	16%	0.164	C	C	.	.	H	α-helix	trans	-73.4	-5	176.5	0	0	0	0	0	115	S176 M177 K193 H194 I197	S176-A179 WeakPolarHBondContact O-CB 3.48Å; S176-A179 PolarHBondContact O-N 3.04Å; M177-A179 PolarHBondContact O-N 2.76Å; M177-A179 VanDerWaalsContact O-N 3.13Å; A179-K193 HydrophobicContact CB-CB 4.2Å; A179-H194 VanDerWaalsContact CA-CE1 3.41Å; A179-H194 WeakPolarHBondContact CA-CE1 3.34Å; A179-H194 PolarHBondContact O-CE1 3.24Å; A179-H194 PolarHBondContact O-NE2 3.12Å; A179-I197 HydrophobicContact CB-CD1 3.45Å; A179-I197 VanDerWaalsContact CB-CD1 3.45Å; A179-I197 HydrophobicContact CB-CG1 4.41Å
180	F	94.2	Very high	94.9	Very high	59 Å²	59	29.2 Å²	29.2	26%	0.259	16%	0.161	S	C	.	.	H	α-helix	trans	-122.8	-32.4	179.3	-65.7	-76.4	0	0	0	113.4	M177 A178 I197 C220 V280 K282 H292	M177-F180 HydrophobicContact CE-CB 4.12Å; M177-F180 HydrophobicContact CE-CD2 4.33Å; M177-F180 PolarHBondContact O-N 3.12Å; M177-F180 HydrophobicContact SD-CD2 4.07Å; A178-F180 PolarHBondContact O-N 3.23Å; F180-I197 HydrophobicContact CE2-CD1 3.68Å; F180-I197 HydrophobicContact CZ-CD1 3.71Å; F180-C220 HydrophobicContact CE2-CB 4.09Å; F180-V280 HydrophobicContact CE2-CG1 4.26Å; F180-V280 HydrophobicContact CZ-CG1 3.73Å; F180-K282 HydrophobicContact CD2-CD 4.25Å; F180-K282 HydrophobicContact CE2-CD 4.1Å; F180-K282 HydrophobicContact CE2-CG 4.09Å; F180-K282 HydrophobicContact CZ-CD 4.44Å; F180-H292 AromaticContact CD1-ND1 3.98Å; F180-H292 HydrophobicContact CE1-CB 4.29Å; F180-H292 AromaticContact CE1-CD2 3.93Å; F180-H292 AromaticContact CE1-CE1 3.58Å; F180-H292 AromaticContact CE1-CG 3.62Å; F180-H292 AromaticContact CE1-ND1 3.38Å; F180-H292 WeakPolarHBondContact CE1-ND1 3.37Å; F180-H292 AromaticContact CE1-NE2 3.89Å; F180-H292 HydrophobicContact CZ-CB 4.05Å; F180-H292 AromaticContact CZ-CG 3.86Å
181	L	84.4	Confident	94.9	Very high	104 Å²	104	31.7 Å²	31.7	55%	0.545	18%	0.182	S	C	.	.	H	α-helix	trans	-105.2	-11.4	-173.8	-64.7	174.8	0	0	0	113.5	M177	M177-L181 HydrophobicContact CE-CD1 3.85Å; M177-L181 HydrophobicContact CE-CG 4.06Å; M177-L181 PolarHBondContact O-N 2.98Å; M177-L181 VanDerWaalsContact O-N 3.07Å
182	H	80.3	Confident	94.9	Very high	147 Å²	147	31.8 Å²	31.8	68%	0.681	18%	0.183	S	C	*	.			trans	49.4	149.4	-173.4	52.8	66.5	0	0	0	115.1	A178 T190	A178-H182 WeakPolarHBondContact O-CA 3.43Å; A178-H182 PolarHBondContact O-N 2.82Å; H182-T190 HydrophobicContact CB-CG2 4.34Å
183	S	84.1	Confident	94.9	Very high	22 Å²	22	32.1 Å²	32.1	15%	0.154	18%	0.184	C	C	.	.			trans	-133.9	116.5	-178.9	179.1	0	0	0	0	110.5	H185 Q186	S183-H185 PolarHBondContact O-N 2.84Å; S183-H185 WeakPolarHBondContact OG-CB 3.38Å; S183-H185 PolarHBondContact OG-N 2.81Å; S183-Q186 CarbonylContact O-C 3.41Å; S183-Q186 PolarHBondContact O-N 3.46Å
184	P	88.7	Confident	94.9	Very high	82 Å²	82	36.3 Å²	36.3	53%	0.532	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.8	175.1	28.4	-34.5	0	0	0	111.9	Q186 F241	P184-Q186 VanDerWaalsContact C-N 3.29Å; P184-F241 WeakPolarHBondContact O-CD1 3.27Å
185	H	93.6	Very high	94.9	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.014	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.3	174.1	-166.6	-112.2	0	0	0	111.9	S183 V232 M238 F241 F244 F248	S183-H185 PolarHBondContact O-N 2.84Å; S183-H185 WeakPolarHBondContact OG-CB 3.38Å; S183-H185 PolarHBondContact OG-N 2.81Å; H185-V232 PolarHBondContact CE1-O 3.17Å; H185-V232 PolarHBondContact NE2-O 2.9Å; H185-M238 WeakPolarHBondContact CE1-CE 3.45Å; H185-M238 WeakPolarHBondContact ND1-CE 3.34Å; H185-M238 WeakPolarHBondContact O-CE 3.33Å; H185-F241 PolarHBondContact CD2-O 2.84Å; H185-F241 PolarHBondContact NE2-O 3.41Å; H185-F241 VanDerWaalsContact O-CB 3.29Å; H185-F241 WeakPolarHBondContact O-CB 3.29Å; H185-F244 HydrophobicContact CB-CB 4.2Å; H185-F244 VanDerWaalsContact CD2-C 3.5Å; H185-F248 HydrophobicContact CB-CD2 4.2Å
186	Q	96.4	Very high	94.9	Very high	11 Å²	11	37.1 Å²	37.1	5%	0.051	21%	0.214	C	C	.	.			trans	-144.1	60.9	-166	-67.2	172.4	-60	0	0	113	N133 E135 S183 P184 T190 M238	N133-Q186 PolarHBondContact ND2-NE2 3.47Å; N133-Q186 VanDerWaalsContact ND2-NE2 3.11Å; N133-Q186 PolarHBondContact OD1-NE2 3.49Å; E135-Q186 VanDerWaalsContact OE1-CA 3.31Å; E135-Q186 WeakPolarHBondContact OE1-CA 3.33Å; S183-Q186 CarbonylContact O-C 3.41Å; S183-Q186 PolarHBondContact O-N 3.46Å; P184-Q186 VanDerWaalsContact C-N 3.29Å; Q186-T190 WeakPolarHBondContact O-CB 3.37Å; Q186-T190 PolarHBondContact O-N 3.21Å; Q186-T190 PolarHBondContact O-OG1 2.8Å; Q186-M238 HydrophobicContact CG-CE 3.85Å
187	P	97.6	Very high	94.9	Very high	51 Å²	51	37 Å²	37	33%	0.331	21%	0.212	S	C	.	.	H	α-helix	trans	-66.6	-42.7	-173.9	24.9	-33.4	0	0	0	113.9	E135 T190 A191 F241	E135-P187 VanDerWaalsContact OE2-CD 3.31Å; E135-P187 WeakPolarHBondContact OE2-CD 3.37Å; E135-P187 WeakPolarHBondContact OE2-CG 3.38Å; P187-T190 WeakPolarHBondContact O-CB 3.22Å; P187-T190 PolarHBondContact O-N 3.29Å; P187-A191 PolarHBondContact O-N 3Å; P187-F241 HydrophobicContact CG-CD1 4.3Å; P187-F241 HydrophobicContact CG-CD2 4.46Å; P187-F241 HydrophobicContact CG-CE1 3.69Å; P187-F241 HydrophobicContact CG-CE2 3.85Å; P187-F241 HydrophobicContact CG-CZ 3.43Å; P187-F241 VanDerWaalsContact CG-CZ 3.43Å
188	V	98.4	Very high	95	Very high	31 Å²	31	38.1 Å²	38.1	19%	0.188	23%	0.228	C	C	.	.	H	α-helix	trans	-74	-42.8	-178.8	178.4	0	0	0	0	110.6	E135 W138 T141 I142 T190 A191 T192	E135-V188 PolarHBondContact OE1-N 3.43Å; E135-V188 WeakPolarHBondContact OE2-CB 3.47Å; E135-V188 PolarHBondContact OE2-N 3.14Å; W138-V188 HydrophobicContact CB-CB 4.01Å; W138-V188 HydrophobicContact CB-CG1 3.98Å; W138-V188 HydrophobicContact CB-CG2 3.83Å; W138-V188 HydrophobicContact CE3-CG1 4.45Å; W138-V188 HydrophobicContact CG-CG2 4.31Å; T141-V188 HydrophobicContact CG2-CG1 4.42Å; I142-V188 HydrophobicContact CD1-CG1 4.1Å; I142-V188 HydrophobicContact CG1-CG1 3.73Å; V188-T190 VanDerWaalsContact C-N 3.26Å; V188-T190 PolarHBondContact O-N 3.2Å; V188-A191 WeakPolarHBondContact O-CB 3.1Å; V188-A191 PolarHBondContact O-N 3.09Å; V188-A191 VanDerWaalsContact O-N 3.08Å; V188-T192 HydrophobicContact CG1-CG2 4.42Å; V188-T192 WeakPolarHBondContact O-CG2 3.45Å; V188-T192 PolarHBondContact O-N 2.94Å
189	Y	98.4	Very high	95.1	Very high	20 Å²	20	39 Å²	39	8%	0.078	23%	0.23	C	C	.	.	H	α-helix	trans	-53.2	-47.5	170.6	-179.4	-87.2	0	0	0	110.7	I132 N133 E135 N145 A178 A191 T192 K193 L228	I132-Y189 VanDerWaalsContact O-CD2 3.27Å; I132-Y189 WeakPolarHBondContact O-CD2 3.3Å; I132-Y189 WeakPolarHBondContact O-CE2 3.34Å; N133-Y189 HydrophobicContact CB-CD2 4.22Å; N133-Y189 HydrophobicContact CB-CE2 4.48Å; E135-Y189 WeakPolarHBondContact OE1-CB 3.3Å; E135-Y189 PolarHBondContact OE1-N 3.2Å; N145-Y189 VanDerWaalsContact ND2-CD2 3.31Å; N145-Y189 WeakPolarHBondContact ND2-CD2 3.35Å; N145-Y189 WeakPolarHBondContact ND2-CE2 3.12Å; A178-Y189 HydrophobicContact CB-CD1 4.13Å; A178-Y189 HydrophobicContact CB-CE1 4.02Å; Y189-A191 VanDerWaalsContact C-N 3.33Å; Y189-A191 PolarHBondContact O-N 3.26Å; Y189-T192 PolarHBondContact O-N 3.06Å; Y189-T192 PolarHBondContact O-OG1 3.46Å; Y189-K193 HydrophobicContact CD1-CG 4.02Å; Y189-K193 HydrophobicContact CE1-CD 4.48Å; Y189-K193 HydrophobicContact CE1-CG 3.64Å; Y189-K193 HydrophobicContact CE2-CG 4.49Å; Y189-K193 WeakPolarHBondContact O-CG 3.31Å; Y189-K193 PolarHBondContact O-N 3.04Å; Y189-K193 WeakPolarHBondContact OH-CE 3.45Å; Y189-L228 HydrophobicContact CE2-CD1 4.47Å
190	T	98.3	Very high	95.3	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-55.8	-46.2	175.8	-65.9	0	0	0	0	111.7	A178 H182 Q186 P187 V188 K193 H194	A178-T190 WeakPolarHBondContact O-CG2 3.5Å; H182-T190 HydrophobicContact CB-CG2 4.34Å; Q186-T190 WeakPolarHBondContact O-CB 3.37Å; Q186-T190 PolarHBondContact O-N 3.21Å; Q186-T190 PolarHBondContact O-OG1 2.8Å; P187-T190 WeakPolarHBondContact O-CB 3.22Å; P187-T190 PolarHBondContact O-N 3.29Å; V188-T190 VanDerWaalsContact C-N 3.26Å; V188-T190 PolarHBondContact O-N 3.2Å; T190-K193 PolarHBondContact O-N 3.47Å; T190-H194 VanDerWaalsContact CG2-CE1 3.49Å; T190-H194 WeakPolarHBondContact CG2-CE1 3.33Å; T190-H194 PolarHBondContact O-N 3.47Å; T190-H194 PolarHBondContact O-ND1 3.26Å
191	A	98.5	Very high	95.5	Very high	60 Å²	60	39.9 Å²	39.9	50%	0.496	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-44.2	177.5	0	0	0	0	0	112.2	P187 V188 Y189 K193 H194 G195	P187-A191 PolarHBondContact O-N 3Å; V188-A191 WeakPolarHBondContact O-CB 3.1Å; V188-A191 PolarHBondContact O-N 3.09Å; V188-A191 VanDerWaalsContact O-N 3.08Å; Y189-A191 VanDerWaalsContact C-N 3.33Å; Y189-A191 PolarHBondContact O-N 3.26Å; A191-K193 VanDerWaalsContact C-N 3.29Å; A191-K193 PolarHBondContact O-N 2.88Å; A191-H194 PolarHBondContact O-N 2.89Å; A191-G195 PolarHBondContact O-N 3.05Å
192	T	98.8	Very high	96.2	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-41	177.5	66.6	0	0	0	0	111.8	T141 I142 N145 L146 V188 Y189 G195 V196	T141-T192 HydrophobicContact CG2-CG2 4.22Å; I142-T192 HydrophobicContact CB-CG2 4.37Å; I142-T192 HydrophobicContact CG1-CG2 3.91Å; N145-T192 HydrophobicContact CB-CG2 4.1Å; N145-T192 WeakPolarHBondContact CB-OG1 3.21Å; L146-T192 HydrophobicContact CB-CG2 4.39Å; V188-T192 HydrophobicContact CG1-CG2 4.42Å; V188-T192 WeakPolarHBondContact O-CG2 3.45Å; V188-T192 PolarHBondContact O-N 2.94Å; Y189-T192 PolarHBondContact O-N 3.06Å; Y189-T192 PolarHBondContact O-OG1 3.46Å; T192-G195 PolarHBondContact O-N 3.34Å; T192-V196 WeakPolarHBondContact O-CG2 3.43Å; T192-V196 PolarHBondContact O-N 2.84Å
193	K	98.4	Very high	97	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-72.7	-31.9	-178.8	-61.6	-56.8	-176.7	-176.3	0	112.9	V174 S175 A179 Y189 T190 A191 I197	V174-K193 PolarHBondContact O-NZ 3.04Å; S175-K193 WeakPolarHBondContact OG-CB 3.33Å; S175-K193 PolarHBondContact OG-O 2.87Å; A179-K193 HydrophobicContact CB-CB 4.2Å; Y189-K193 HydrophobicContact CD1-CG 4.02Å; Y189-K193 HydrophobicContact CE1-CD 4.48Å; Y189-K193 HydrophobicContact CE1-CG 3.64Å; Y189-K193 HydrophobicContact CE2-CG 4.49Å; Y189-K193 WeakPolarHBondContact O-CG 3.31Å; Y189-K193 PolarHBondContact O-N 3.04Å; Y189-K193 WeakPolarHBondContact OH-CE 3.45Å; T190-K193 PolarHBondContact O-N 3.47Å; A191-K193 VanDerWaalsContact C-N 3.29Å; A191-K193 PolarHBondContact O-N 2.88Å; K193-I197 PolarHBondContact O-N 2.99Å
194	H	98.6	Very high	97.7	Very high	89 Å²	89	30.9 Å²	30.9	41%	0.412	19%	0.194	S	C	.	.	H	α-helix	trans	-61.7	-46.7	165.4	-77.6	80.1	0	0	0	111.4	A179 T190 A191 V196 I197 G198	A179-H194 VanDerWaalsContact CA-CE1 3.41Å; A179-H194 WeakPolarHBondContact CA-CE1 3.34Å; A179-H194 PolarHBondContact O-CE1 3.24Å; A179-H194 PolarHBondContact O-NE2 3.12Å; T190-H194 VanDerWaalsContact CG2-CE1 3.49Å; T190-H194 WeakPolarHBondContact CG2-CE1 3.33Å; T190-H194 PolarHBondContact O-N 3.47Å; T190-H194 PolarHBondContact O-ND1 3.26Å; A191-H194 PolarHBondContact O-N 2.89Å; H194-V196 VanDerWaalsContact C-N 3.29Å; H194-V196 PolarHBondContact O-N 3.3Å; H194-I197 PolarHBondContact O-N 3.08Å; H194-I197 VanDerWaalsContact O-N 3.1Å; H194-G198 PolarHBondContact O-N 3.22Å
195	G	98.8	Very high	98.2	Very high	26 Å²	26	31.3 Å²	31.3	27%	0.268	19%	0.192	S	C	.	.	H	α-helix	trans	-56.1	-42.4	178.3	0	0	0	0	0	112.7	A191 T192 I197 G198 F199	A191-G195 PolarHBondContact O-N 3.05Å; T192-G195 PolarHBondContact O-N 3.34Å; G195-I197 VanDerWaalsContact C-N 3.34Å; G195-I197 PolarHBondContact O-N 2.96Å; G195-G198 PolarHBondContact O-N 2.7Å; G195-F199 VanDerWaalsContact O-CB 3.24Å; G195-F199 WeakPolarHBondContact O-CB 3.33Å; G195-F199 PolarHBondContact O-N 3.02Å
196	V	98.9	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-41.1	176.7	172.7	0	0	0	0	111.9	N145 L146 V149 N173 T192 H194 T200 V218	N145-V196 VanDerWaalsContact O-CG2 3.27Å; N145-V196 WeakPolarHBondContact O-CG2 3.16Å; L146-V196 HydrophobicContact CD1-CG2 4.14Å; V149-V196 HydrophobicContact CB-CG2 4.45Å; V149-V196 HydrophobicContact CG1-CG1 4.36Å; V149-V196 HydrophobicContact CG1-CG2 4.31Å; V149-V196 HydrophobicContact CG2-CG2 4.3Å; N173-V196 HydrophobicContact CB-CG1 3.75Å; T192-V196 WeakPolarHBondContact O-CG2 3.43Å; T192-V196 PolarHBondContact O-N 2.84Å; H194-V196 VanDerWaalsContact C-N 3.29Å; H194-V196 PolarHBondContact O-N 3.3Å; V196-T200 VanDerWaalsContact O-CB 3.22Å; V196-T200 WeakPolarHBondContact O-CB 3.49Å; V196-T200 PolarHBondContact O-N 3.31Å; V196-T200 PolarHBondContact O-OG1 3.35Å; V196-V218 HydrophobicContact CG1-CG2 4.04Å
197	I	98.8	Very high	98.4	Very high	11 Å²	11	32.2 Å²	32.2	6%	0.056	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-49.9	177.8	-66.4	178	0	0	0	110.3	A179 F180 K193 H194 G195 F199 T200 R201 V218 V280 Y294	A179-I197 HydrophobicContact CB-CD1 3.45Å; A179-I197 VanDerWaalsContact CB-CD1 3.45Å; A179-I197 HydrophobicContact CB-CG1 4.41Å; F180-I197 HydrophobicContact CE2-CD1 3.68Å; F180-I197 HydrophobicContact CZ-CD1 3.71Å; K193-I197 PolarHBondContact O-N 2.99Å; H194-I197 PolarHBondContact O-N 3.08Å; H194-I197 VanDerWaalsContact O-N 3.1Å; G195-I197 VanDerWaalsContact C-N 3.34Å; G195-I197 PolarHBondContact O-N 2.96Å; I197-F199 PolarHBondContact O-N 3.37Å; I197-T200 PolarHBondContact O-N 3.18Å; I197-R201 WeakPolarHBondContact O-CG 3.27Å; I197-R201 PolarHBondContact O-N 3.18Å; I197-R201 VanDerWaalsContact O-N 3.11Å; I197-V218 HydrophobicContact CG1-CG1 4.4Å; I197-V218 HydrophobicContact CG1-CG2 4.06Å; I197-V280 HydrophobicContact CD1-CG1 4.45Å; I197-V280 HydrophobicContact CG2-CG2 4.3Å; I197-Y294 WeakPolarHBondContact CG2-OH 3.36Å
198	G	98.7	Very high	98.4	Very high	44 Å²	44	32.8 Å²	32.8	45%	0.454	21%	0.211	S	C	.	.	H	α-helix	trans	-59.1	-49	-179.8	0	0	0	0	0	112.2	H194 G195 A202	H194-G198 PolarHBondContact O-N 3.22Å; G195-G198 PolarHBondContact O-N 2.7Å; G198-A202 PolarHBondContact O-N 3.01Å; G198-A202 VanDerWaalsContact O-N 3.15Å
199	F	98.9	Very high	98.3	Very high	31 Å²	31	38.8 Å²	38.8	14%	0.136	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-47.8	177	171.1	-108.4	0	0	0	112.3	I150 T153 G195 I197 R201 A202 M203	I150-F199 HydrophobicContact CB-CE1 4.39Å; I150-F199 HydrophobicContact CB-CE2 4.37Å; I150-F199 HydrophobicContact CB-CZ 4.14Å; I150-F199 HydrophobicContact CG1-CD1 3.98Å; I150-F199 HydrophobicContact CG1-CD2 3.95Å; I150-F199 HydrophobicContact CG1-CE1 4.01Å; I150-F199 HydrophobicContact CG1-CE2 3.98Å; I150-F199 HydrophobicContact CG1-CG 3.95Å; I150-F199 HydrophobicContact CG1-CZ 4.01Å; I150-F199 HydrophobicContact CG2-CE2 4.01Å; I150-F199 HydrophobicContact CG2-CZ 4.06Å; T153-F199 HydrophobicContact CG2-CE1 3.83Å; T153-F199 HydrophobicContact CG2-CZ 3.81Å; G195-F199 VanDerWaalsContact O-CB 3.24Å; G195-F199 WeakPolarHBondContact O-CB 3.33Å; G195-F199 PolarHBondContact O-N 3.02Å; I197-F199 PolarHBondContact O-N 3.37Å; F199-R201 PolarHBondContact O-N 2.9Å; F199-A202 PolarHBondContact O-N 3.01Å; F199-M203 HydrophobicContact CD2-CG 3.83Å; F199-M203 HydrophobicContact CE1-CG 4.2Å; F199-M203 HydrophobicContact CE2-CG 3.31Å; F199-M203 HydrophobicContact CE2-SD 4.04Å; F199-M203 HydrophobicContact CG-CG 4.46Å; F199-M203 HydrophobicContact CZ-CG 3.53Å; F199-M203 HydrophobicContact CZ-SD 4.48Å; F199-M203 WeakPolarHBondContact O-CB 3.38Å; F199-M203 WeakPolarHBondContact O-CG 3.1Å; F199-M203 PolarHBondContact O-N 3.14Å
200	T	98.9	Very high	98.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-44.4	-176.8	-60.5	0	0	0	0	111.7	N173 V196 I197 M203 A204 I216 N217 V218	N173-T200 WeakPolarHBondContact CB-OG1 3.41Å; N173-T200 PolarHBondContact ND2-OG1 3.05Å; V196-T200 VanDerWaalsContact O-CB 3.22Å; V196-T200 WeakPolarHBondContact O-CB 3.49Å; V196-T200 PolarHBondContact O-N 3.31Å; V196-T200 PolarHBondContact O-OG1 3.35Å; I197-T200 PolarHBondContact O-N 3.18Å; T200-M203 PolarHBondContact O-N 3.35Å; T200-A204 VanDerWaalsContact O-CB 3.3Å; T200-A204 WeakPolarHBondContact O-CB 3.46Å; T200-A204 PolarHBondContact O-N 3.42Å; T200-I216 HydrophobicContact CG2-CG2 3.77Å; T200-N217 VanDerWaalsContact CG2-C 3.49Å; T200-V218 HydrophobicContact CG2-CB 3.8Å; T200-V218 HydrophobicContact CG2-CG1 4.28Å
201	R	98.4	Very high	97.9	Very high	85 Å²	85	47.1 Å²	47.1	32%	0.321	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-45.1	179.4	-69.1	-179.3	66.1	-150.4	-1.3	112	I197 F199 M203 A204 D205 V280 Y294	I197-R201 WeakPolarHBondContact O-CG 3.27Å; I197-R201 PolarHBondContact O-N 3.18Å; I197-R201 VanDerWaalsContact O-N 3.11Å; F199-R201 PolarHBondContact O-N 2.9Å; R201-M203 PolarHBondContact O-N 2.72Å; R201-A204 WeakPolarHBondContact O-CB 3.43Å; R201-A204 PolarHBondContact O-N 3.03Å; R201-D205 PolarHBondContact O-N 2.57Å; R201-D205 VanDerWaalsContact O-N 3.1Å; R201-V280 HydrophobicContact CG-CG2 4.07Å; R201-Y294 VanDerWaalsContact CD-CE2 3.4Å; R201-Y294 WeakPolarHBondContact CD-OH 3.45Å; R201-Y294 VanDerWaalsContact CZ-CZ 3.49Å; R201-Y294 VanDerWaalsContact NH1-CD1 3.3Å; R201-Y294 VanDerWaalsContact NH1-CE2 3.29Å
202	A	98.5	Very high	97.9	Very high	62 Å²	62	46 Å²	46	51%	0.512	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-43.8	177.6	0	0	0	0	0	111.9	G198 F199 D205 A206	G198-A202 PolarHBondContact O-N 3.01Å; G198-A202 VanDerWaalsContact O-N 3.15Å; F199-A202 PolarHBondContact O-N 3.01Å; A202-D205 PolarHBondContact O-N 2.78Å; A202-A206 PolarHBondContact O-N 2.98Å
203	M	98.6	Very high	97.9	Very high	22 Å²	22	47.2 Å²	47.2	11%	0.108	28%	0.278	C	S	.	.	H	α-helix	trans	-68.3	-34.1	177.3	-74.9	-55.1	-55.1	0	0	113.1	Y154 L157 F199 T200 R201 A206 A207 I216	Y154-M203 HydrophobicContact CE1-CE 3.99Å; Y154-M203 HydrophobicContact CE1-SD 4.11Å; L157-M203 HydrophobicContact CD1-CE 3.58Å; F199-M203 HydrophobicContact CD2-CG 3.83Å; F199-M203 HydrophobicContact CE1-CG 4.2Å; F199-M203 HydrophobicContact CE2-CG 3.31Å; F199-M203 HydrophobicContact CE2-SD 4.04Å; F199-M203 HydrophobicContact CG-CG 4.46Å; F199-M203 HydrophobicContact CZ-CG 3.53Å; F199-M203 HydrophobicContact CZ-SD 4.48Å; F199-M203 WeakPolarHBondContact O-CB 3.38Å; F199-M203 WeakPolarHBondContact O-CG 3.1Å; F199-M203 PolarHBondContact O-N 3.14Å; T200-M203 PolarHBondContact O-N 3.35Å; R201-M203 PolarHBondContact O-N 2.72Å; M203-A206 PolarHBondContact O-N 3.38Å; M203-A207 VanDerWaalsContact O-CB 3.26Å; M203-A207 WeakPolarHBondContact O-CB 3.41Å; M203-A207 PolarHBondContact O-N 2.9Å; M203-I216 HydrophobicContact CB-CD1 3.79Å
204	A	98.5	Very high	97.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-42.4	174.8	0	0	0	0	0	111.9	T200 R201 A207 A208 I216 N277	T200-A204 VanDerWaalsContact O-CB 3.3Å; T200-A204 WeakPolarHBondContact O-CB 3.46Å; T200-A204 PolarHBondContact O-N 3.42Å; R201-A204 WeakPolarHBondContact O-CB 3.43Å; R201-A204 PolarHBondContact O-N 3.03Å; A204-A207 PolarHBondContact O-N 3.27Å; A204-A208 PolarHBondContact O-N 3.37Å; A204-A208 VanDerWaalsContact O-N 3.08Å; A204-I216 HydrophobicContact CB-CB 4.21Å; A204-I216 WeakPolarHBondContact CB-O 3.49Å; A204-N277 WeakPolarHBondContact CB-OD1 3.41Å; A204-N277 PolarHBondContact O-ND2 2.89Å
205	D	97.8	Very high	97.9	Very high	91 Å²	91	44.2 Å²	44.2	49%	0.487	26%	0.264	S	S	.	.	H	α-helix	trans	-66.8	-43.1	176.5	-71	-15	0	0	0	111.2	R201 A202 A208 Q209	R201-D205 PolarHBondContact O-N 2.57Å; R201-D205 VanDerWaalsContact O-N 3.1Å; A202-D205 PolarHBondContact O-N 2.78Å; D205-A208 PolarHBondContact O-N 3.46Å; D205-Q209 WeakPolarHBondContact O-CG 3.46Å; D205-Q209 PolarHBondContact O-N 3.22Å
206	A	97.6	Very high	97.9	Very high	31 Å²	31	43 Å²	43	26%	0.256	25%	0.251	S	S	.	.	H	α-helix	trans	-59.6	-46.9	174.7	0	0	0	0	0	111.6	A202 M203 A208 Q209 D210	A202-A206 PolarHBondContact O-N 2.98Å; M203-A206 PolarHBondContact O-N 3.38Å; A206-A208 PolarHBondContact O-N 3.5Å; A206-Q209 PolarHBondContact O-N 3.16Å; A206-D210 PolarHBondContact O-N 3.43Å; A206-D210 VanDerWaalsContact O-N 3.1Å
207	A	97.2	Very high	97.9	Very high	2 Å²	2	43 Å²	43	2%	0.017	25%	0.251	C	S	.	.	H	α-helix	trans	-62.1	-30.9	178.3	0	0	0	0	0	113.4	M203 A204 D211 Y212 V214 I216	M203-A207 VanDerWaalsContact O-CB 3.26Å; M203-A207 WeakPolarHBondContact O-CB 3.41Å; M203-A207 PolarHBondContact O-N 2.9Å; A204-A207 PolarHBondContact O-N 3.27Å; A207-D211 PolarHBondContact O-N 2.81Å; A207-Y212 VanDerWaalsContact CA-CD2 3.45Å; A207-Y212 HydrophobicContact CB-CD2 3.64Å; A207-Y212 HydrophobicContact CB-CE2 4.4Å; A207-Y212 HydrophobicContact CB-CG 4.1Å; A207-Y212 PolarHBondContact O-N 3.17Å; A207-V214 WeakPolarHBondContact CB-O 3.37Å; A207-I216 HydrophobicContact CB-CD1 4.26Å
208	A	97.1	Very high	97.9	Very high	63 Å²	63	42.5 Å²	42.5	52%	0.521	25%	0.248	S	C	.	.	H	α-helix	trans	-77.7	-40.1	175.2	0	0	0	0	0	112.6	A204 D205 A206	A204-A208 PolarHBondContact O-N 3.37Å; A204-A208 VanDerWaalsContact O-N 3.08Å; D205-A208 PolarHBondContact O-N 3.46Å; A206-A208 PolarHBondContact O-N 3.5Å
209	Q	96.4	Very high	97.9	Very high	158 Å²	158	40.4 Å²	40.4	74%	0.738	23%	0.227	S	C	*	.	H	α-helix	trans	-65.9	-40.3	-179	-75.2	175.3	49.5	0	0	112.3	D205 A206	D205-Q209 WeakPolarHBondContact O-CG 3.46Å; D205-Q209 PolarHBondContact O-N 3.22Å; A206-Q209 PolarHBondContact O-N 3.16Å
210	D	93.7	Very high	97.9	Very high	111 Å²	111	38.9 Å²	38.9	59%	0.594	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	12.4	-177.9	-70.5	-13.5	0	0	0	113.4	A206 Y212	A206-D210 PolarHBondContact O-N 3.43Å; A206-D210 VanDerWaalsContact O-N 3.1Å; D210-Y212 HydrophobicContact CB-CD1 3.8Å; D210-Y212 HydrophobicContact CB-CE1 3.28Å; D210-Y212 PolarHBondContact O-N 3.16Å; D210-Y212 PolarHBondContact OD2-OH 3.04Å
211	D	95.7	Very high	97.8	Very high	96 Å²	96	39.2 Å²	39.2	51%	0.513	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.9	54.9	-177.2	-173.5	30.7	0	0	0	113.8	K162 A207 G213	K162-D211 WeakPolarHBondContact CD-O 3.38Å; K162-D211 IonicContact NZ-OD1 2.79Å; K162-D211 PolarHBondContact NZ-OD1 3.18Å; K162-D211 IonicContact NZ-OD2 3.24Å; K162-D211 PolarHBondContact NZ-OD2 3.45Å; A207-D211 PolarHBondContact O-N 2.81Å; D211-G213 PolarHBondContact O-N 2.96Å; D211-G213 VanDerWaalsContact O-N 3.09Å
212	Y	97.7	Very high	97.8	Very high	35 Å²	35	36.4 Å²	36.4	14%	0.137	22%	0.217	C	C	.	.			trans	-64	-15.8	174.4	-67.8	-3.6	0	0	0	112.4	L157 S161 K162 E163 A207 D210 V214	L157-Y212 HydrophobicContact CD1-CD2 4.23Å; L157-Y212 HydrophobicContact CD1-CE2 4.26Å; L157-Y212 HydrophobicContact CD2-CD2 4.03Å; S161-Y212 WeakPolarHBondContact CA-O 3.33Å; S161-Y212 WeakPolarHBondContact OG-CA 3.19Å; S161-Y212 VanDerWaalsContact OG-CB 3.29Å; S161-Y212 WeakPolarHBondContact OG-CB 3.43Å; S161-Y212 PolarHBondContact OG-O 2.89Å; K162-Y212 PolarHBondContact N-O 3.33Å; E163-Y212 WeakPolarHBondContact OE2-CE1 3.35Å; A207-Y212 VanDerWaalsContact CA-CD2 3.45Å; A207-Y212 HydrophobicContact CB-CD2 3.64Å; A207-Y212 HydrophobicContact CB-CE2 4.4Å; A207-Y212 HydrophobicContact CB-CG 4.1Å; A207-Y212 PolarHBondContact O-N 3.17Å; D210-Y212 HydrophobicContact CB-CD1 3.8Å; D210-Y212 HydrophobicContact CB-CE1 3.28Å; D210-Y212 PolarHBondContact O-N 3.16Å; D210-Y212 PolarHBondContact OD2-OH 3.04Å; Y212-V214 PolarHBondContact O-N 2.92Å
213	G	97.9	Very high	97.7	Very high	28 Å²	28	35.6 Å²	35.6	29%	0.289	20%	0.202	S	C	.	.	S	Bend	trans	67.3	9.5	-172	0	0	0	0	0	113.7	G168 G169 D211	G168-G213 CarbonylContact C-O 3.55Å; G168-G213 WeakPolarHBondContact CA-O 3.33Å; G169-G213 PolarHBondContact N-O 3.4Å; G169-G213 VanDerWaalsContact N-O 3.07Å; D211-G213 PolarHBondContact O-N 2.96Å; D211-G213 VanDerWaalsContact O-N 3.09Å
214	V	98.6	Very high	97.7	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.8	-178.3	-178.9	0	0	0	0	109.8	L157 M160 G169 I171 A207 Y212 I216	L157-V214 HydrophobicContact CD2-CB 3.87Å; L157-V214 HydrophobicContact CD2-CG1 3.95Å; L157-V214 HydrophobicContact CD2-CG2 3.96Å; M160-V214 HydrophobicContact CB-CG2 3.94Å; M160-V214 HydrophobicContact CE-CG1 4.46Å; G169-V214 WeakPolarHBondContact O-CA 3.49Å; I171-V214 HydrophobicContact CD1-CG1 3.76Å; I171-V214 HydrophobicContact CG1-CG1 3.84Å; A207-V214 WeakPolarHBondContact CB-O 3.37Å; Y212-V214 PolarHBondContact O-N 2.92Å; V214-I216 HydrophobicContact CG1-CG1 4.17Å
215	R	98.7	Very high	97.6	Very high	28 Å²	28	38.3 Å²	38.3	11%	0.106	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	138.1	172.2	-60.8	179.2	-55.8	110.2	-6.3	109.9	G169 T170 I171 N217 L270 I271 D273 P274 L276 N277	G169-R215 PolarHBondContact O-N 3.19Å; T170-R215 CarbonylContact C-O 3.48Å; T170-R215 WeakPolarHBondContact CA-O 3.43Å; T170-R215 HydrophobicContact CG2-CB 4.44Å; T170-R215 VanDerWaalsContact OG1-CZ 3.31Å; T170-R215 PolarHBondContact OG1-NE 3.36Å; T170-R215 PolarHBondContact OG1-NH2 2.97Å; I171-R215 PolarHBondContact N-O 2.95Å; R215-N217 PolarHBondContact NH1-ND2 3.12Å; R215-L270 PolarHBondContact NH1-O 3.5Å; R215-L270 PolarHBondContact NH2-O 3.3Å; R215-I271 PolarHBondContact NH2-O 3.2Å; R215-D273 PolarHBondContact NH1-O 2.85Å; R215-P274 WeakPolarHBondContact CD-O 3.39Å; R215-L276 WeakPolarHBondContact CD-O 3.44Å; R215-L276 PolarHBondContact NH1-O 3.26Å; R215-N277 WeakPolarHBondContact CA-OD1 3.41Å; R215-N277 HydrophobicContact CB-CB 4.47Å; R215-N277 HydrophobicContact CG-CB 4.38Å
216	I	98.9	Very high	97.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	116	-178	-45.9	179.7	0	0	0	108.5	T153 I171 T200 M203 A204 A207 V214 N277 G278	T153-I216 HydrophobicContact CG2-CD1 4.32Å; I171-I216 HydrophobicContact CB-CB 4.5Å; I171-I216 HydrophobicContact CB-CG1 4.31Å; I171-I216 HydrophobicContact CB-CG2 4.07Å; I171-I216 HydrophobicContact CD1-CD1 4.3Å; I171-I216 HydrophobicContact CD1-CG1 4.24Å; I171-I216 HydrophobicContact CG2-CG2 4.19Å; I171-I216 WeakPolarHBondContact O-CA 3.34Å; T200-I216 HydrophobicContact CG2-CG2 3.77Å; M203-I216 HydrophobicContact CB-CD1 3.79Å; A204-I216 HydrophobicContact CB-CB 4.21Å; A204-I216 WeakPolarHBondContact CB-O 3.49Å; A207-I216 HydrophobicContact CB-CD1 4.26Å; V214-I216 HydrophobicContact CG1-CG1 4.17Å; I216-N277 PolarHBondContact N-OD1 2.82Å; I216-G278 WeakPolarHBondContact O-CA 3.5Å; I216-G278 PolarHBondContact O-N 2.92Å
217	N	98.9	Very high	97.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	159.2	-175.8	-63.1	-66.7	0	0	0	110.9	I171 I172 N173 T200 R215 L270 L276 N277 G278 A279	I171-N217 PolarHBondContact O-N 3.28Å; I172-N217 WeakPolarHBondContact CA-O 3.48Å; N173-N217 PolarHBondContact N-O 3.26Å; T200-N217 VanDerWaalsContact CG2-C 3.49Å; R215-N217 PolarHBondContact NH1-ND2 3.12Å; N217-L270 HydrophobicContact CB-CD1 4.13Å; N217-L270 HydrophobicContact CB-CD2 3.87Å; N217-L270 HydrophobicContact CB-CG 4.41Å; N217-L276 PolarHBondContact ND2-O 3.09Å; N217-L276 PolarHBondContact OD1-O 3.12Å; N217-N277 WeakPolarHBondContact OD1-CA 3.29Å; N217-N277 PolarHBondContact OD1-N 3.35Å; N217-G278 PolarHBondContact OD1-N 3.21Å; N217-A279 VanDerWaalsContact OD1-CB 3.24Å; N217-A279 WeakPolarHBondContact OD1-CB 2.83Å; N217-A279 PolarHBondContact OD1-N 3.48Å
218	V	98.8	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.8	179.8	62.2	0	0	0	0	111.4	N173 S175 V196 I197 T200 A279 V280 M281	N173-V218 VanDerWaalsContact O-CA 3.3Å; N173-V218 WeakPolarHBondContact O-CA 3.42Å; N173-V218 WeakPolarHBondContact O-CG2 3.24Å; S175-V218 VanDerWaalsContact CB-CG2 3.41Å; V196-V218 HydrophobicContact CG1-CG2 4.04Å; I197-V218 HydrophobicContact CG1-CG1 4.4Å; I197-V218 HydrophobicContact CG1-CG2 4.06Å; T200-V218 HydrophobicContact CG2-CB 3.8Å; T200-V218 HydrophobicContact CG2-CG1 4.28Å; V218-A279 PolarHBondContact N-O 3.17Å; V218-V280 HydrophobicContact CG1-CB 3.87Å; V218-V280 HydrophobicContact CG1-CG1 3.83Å; V218-V280 HydrophobicContact CG1-CG2 3.58Å; V218-M281 PolarHBondContact O-N 3.14Å
219	L	98.8	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.5	176.7	-172.2	76.4	0	0	0	110.4	I172 N173 S175 P221 I263 M267 L270 M281 I283	I172-L219 HydrophobicContact CG2-CB 4.15Å; N173-L219 PolarHBondContact O-N 3.04Å; S175-L219 CarbonylContact C-O 3.44Å; S175-L219 WeakPolarHBondContact CA-O 3.41Å; S175-L219 PolarHBondContact N-O 2.9Å; L219-P221 WeakPolarHBondContact O-CD 3.32Å; L219-I263 HydrophobicContact CD2-CG2 3.43Å; L219-I263 VanDerWaalsContact CD2-CG2 3.43Å; L219-I263 HydrophobicContact CG-CG2 4.49Å; L219-M267 HydrophobicContact CD2-CE 3.42Å; L219-M267 VanDerWaalsContact CD2-CE 3.42Å; L219-M267 HydrophobicContact CD2-CG 3.53Å; L219-M267 HydrophobicContact CD2-SD 4.31Å; L219-L270 HydrophobicContact CB-CD1 4.35Å; L219-L270 HydrophobicContact CD1-CD1 4.24Å; L219-M281 CarbonylContact C-O 3.55Å; L219-M281 HydrophobicContact CD1-CB 4.06Å; L219-M281 HydrophobicContact CD1-CG 3.83Å; L219-M281 HydrophobicContact CD1-SD 3.49Å; L219-M281 WeakPolarHBondContact CD1-SD 3.21Å; L219-I283 HydrophobicContact CD1-CD1 3.79Å; L219-I283 HydrophobicContact CD1-CG1 4.24Å
220	C	98.7	Very high	97.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	78.9	-175.1	-54.2	0	0	0	0	110.1	F180 M281 K282 I283	F180-C220 HydrophobicContact CE2-CB 4.09Å; C220-M281 WeakPolarHBondContact CA-O 3.39Å; C220-M281 VanDerWaalsContact CB-O 3.29Å; C220-M281 WeakPolarHBondContact CB-O 3.26Å; C220-M281 PolarHBondContact N-O 3.03Å; C220-K282 HydrophobicContact CB-CG 4.17Å; C220-K282 WeakPolarHBondContact O-CA 3.36Å; C220-I283 PolarHBondContact O-N 2.77Å; C220-I283 VanDerWaalsContact O-N 3.11Å
221	P	98.3	Very high	97.2	Very high	7 Å²	7	30.4 Å²	30.4	5%	0.045	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	150	175.9	30.7	-35.2	0	0	0	111.5	I55 M177 L219 V224 I263	I55-P221 HydrophobicContact CD1-CG 4.33Å; M177-P221 PolarHBondContact N-O 3.27Å; L219-P221 WeakPolarHBondContact O-CD 3.32Å; P221-V224 HydrophobicContact CB-CG2 3.72Å; P221-V224 HydrophobicContact CG-CG2 4.4Å; P221-I263 HydrophobicContact CB-CD1 3.77Å; P221-I263 HydrophobicContact CB-CG1 4.35Å; P221-I263 HydrophobicContact CB-CG2 4.23Å
222	A	97.2	Very high	97	Very high	25 Å²	25	25.9 Å²	25.9	21%	0.207	14%	0.144	C	C	.	.			trans	-73	-154.2	163.4	0	0	0	0	0	110.7	M177 V224 L258 I283 T284	M177-A222 HydrophobicContact CB-CB 4.45Å; M177-A222 HydrophobicContact CG-CB 3.98Å; A222-V224 WeakPolarHBondContact O-CG2 3.37Å; A222-V224 PolarHBondContact O-N 3.4Å; A222-L258 HydrophobicContact CB-CD1 3.97Å; A222-I283 WeakPolarHBondContact CB-O 3.24Å; A222-I283 PolarHBondContact N-O 2.81Å; A222-T284 HydrophobicContact CB-CG2 4.24Å
223	F	96.8	Very high	96.8	Very high	45 Å²	45	28.7 Å²	28.7	20%	0.197	16%	0.158	C	C	.	.	S	Bend	trans	-61.2	131.4	173.8	-52.7	-60.6	0	0	0	110.1	L229 F248 M252 F255 V257 L258	F223-L229 HydrophobicContact CB-CD1 4.3Å; F223-L229 HydrophobicContact CB-CD2 4.46Å; F223-L229 HydrophobicContact CD1-CD1 4.01Å; F223-F248 HydrophobicContact CD1-CE1 4.39Å; F223-F248 AromaticContact CD1-CZ 3.85Å; F223-F248 HydrophobicContact CD1-CZ 3.85Å; F223-F248 HydrophobicContact CE1-CE1 4.12Å; F223-F248 AromaticContact CE1-CE2 3.68Å; F223-F248 HydrophobicContact CE1-CE2 3.68Å; F223-F248 AromaticContact CE1-CZ 3.42Å; F223-F248 HydrophobicContact CE1-CZ 3.42Å; F223-F248 VanDerWaalsContact CE1-CZ 3.42Å; F223-F248 HydrophobicContact CZ-CE2 4.45Å; F223-F248 HydrophobicContact CZ-CZ 4.43Å; F223-M252 HydrophobicContact CB-CG 4.46Å; F223-M252 HydrophobicContact CD1-CG 3.96Å; F223-M252 HydrophobicContact CD2-CB 4.39Å; F223-M252 HydrophobicContact CD2-CG 3.92Å; F223-M252 HydrophobicContact CE1-CG 4.15Å; F223-M252 HydrophobicContact CE2-CG 4.1Å; F223-M252 HydrophobicContact CG-CG 3.84Å; F223-M252 HydrophobicContact CZ-CG 4.21Å; F223-F255 HydrophobicContact CD2-CB 4.43Å; F223-F255 HydrophobicContact CE2-CB 4.2Å; F223-F255 HydrophobicContact CE2-CD2 4.17Å; F223-V257 HydrophobicContact CB-CG2 4.29Å; F223-L258 WeakPolarHBondContact O-CB 3.44Å; F223-L258 PolarHBondContact O-N 3.38Å
224	V	97.8	Very high	96.7	Very high	8 Å²	8	30.8 Å²	30.8	5%	0.048	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-130.4	131.5	178.9	-166.4	0	0	0	0	108.9	I55 P221 A222 T226 L258 P260 I263	I55-V224 HydrophobicContact CD1-CB 4.13Å; I55-V224 HydrophobicContact CD1-CG1 4.2Å; I55-V224 HydrophobicContact CD1-CG2 3.96Å; I55-V224 HydrophobicContact CG1-CB 4.44Å; I55-V224 HydrophobicContact CG1-CG1 3.97Å; P221-V224 HydrophobicContact CB-CG2 3.72Å; P221-V224 HydrophobicContact CG-CG2 4.4Å; A222-V224 WeakPolarHBondContact O-CG2 3.37Å; A222-V224 PolarHBondContact O-N 3.4Å; V224-T226 HydrophobicContact CB-CG2 4.2Å; V224-T226 HydrophobicContact CG1-CG2 3.93Å; V224-T226 PolarHBondContact O-N 3.36Å; V224-T226 PolarHBondContact O-OG1 2.9Å; V224-T226 VanDerWaalsContact O-OG1 3.13Å; V224-L258 CarbonylContact C-O 3.52Å; V224-L258 WeakPolarHBondContact CA-O 3.43Å; V224-L258 HydrophobicContact CG2-CB 4.36Å; V224-P260 HydrophobicContact CG1-CG 4.03Å; V224-I263 HydrophobicContact CG1-CG1 3.88Å; V224-I263 HydrophobicContact CG2-CD1 3.94Å; V224-I263 HydrophobicContact CG2-CG1 3.84Å
225	D	97.5	Very high	96.6	Very high	71 Å²	71	36.6 Å²	36.6	38%	0.38	19%	0.19	S	C	.	.	S	Bend	trans	-64.7	94.3	179.4	-168.5	9.9	0	0	0	110.6	V257 L258 Q259 P260	D225-V257 HydrophobicContact CB-CG1 3.82Å; D225-L258 PolarHBondContact N-O 2.87Å; D225-Q259 VanDerWaalsContact CB-NE2 3.35Å; D225-Q259 PolarHBondContact OD2-NE2 3.34Å; D225-Q259 VanDerWaalsContact OD2-NE2 3.09Å; D225-P260 WeakPolarHBondContact O-CG 3.29Å
226	T	97	Very high	96.5	Very high	17 Å²	17	40.1 Å²	40.1	10%	0.104	21%	0.211	C	C	.	.	S	Bend	trans	-152.2	161.3	-173.2	60.4	0	0	0	0	109.8	I55 V224 L228 L229 H230 P260	I55-T226 HydrophobicContact CG1-CG2 4.12Å; V224-T226 HydrophobicContact CB-CG2 4.2Å; V224-T226 HydrophobicContact CG1-CG2 3.93Å; V224-T226 PolarHBondContact O-N 3.36Å; V224-T226 PolarHBondContact O-OG1 2.9Å; V224-T226 VanDerWaalsContact O-OG1 3.13Å; T226-L228 PolarHBondContact O-N 2.93Å; T226-L228 VanDerWaalsContact O-N 3.08Å; T226-L229 WeakPolarHBondContact O-CB 3.46Å; T226-L229 PolarHBondContact O-N 3.17Å; T226-H230 PolarHBondContact O-CD2 3.13Å; T226-P260 HydrophobicContact CG2-CG 4.05Å
227	P	95.8	Very high	96.5	Very high	65 Å²	65	41.7 Å²	41.7	42%	0.422	22%	0.219	S	C	.	.	H	α-helix	trans	-52.8	-32.5	174.3	-30	37.7	0	0	0	114.4	L229 H230	P227-L229 VanDerWaalsContact C-N 3.3Å; P227-L229 PolarHBondContact O-N 2.86Å; P227-H230 PolarHBondContact O-N 2.87Å
228	L	95.6	Very high	96.4	Very high	48 Å²	48	41.7 Å²	41.7	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-36.7	177.8	-174.2	151.2	0	0	0	112.1	N133 Y189 T226 H230 T231	N133-L228 HydrophobicContact CB-CD2 4.1Å; N133-L228 HydrophobicContact CB-CG 4.11Å; Y189-L228 HydrophobicContact CE2-CD1 4.47Å; T226-L228 PolarHBondContact O-N 2.93Å; T226-L228 VanDerWaalsContact O-N 3.08Å; L228-H230 PolarHBondContact O-N 3.47Å; L228-T231 PolarHBondContact O-N 3.07Å; L228-T231 PolarHBondContact O-OG1 3.34Å; L228-T231 VanDerWaalsContact O-OG1 3.11Å
229	L	94.8	Very high	96.3	Very high	17 Å²	17	42.3 Å²	42.3	9%	0.089	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-31.1	-178.6	-169.4	62.2	0	0	0	111.7	F223 T226 P227 T231 V232 F248 M252 V257	F223-L229 HydrophobicContact CB-CD1 4.3Å; F223-L229 HydrophobicContact CB-CD2 4.46Å; F223-L229 HydrophobicContact CD1-CD1 4.01Å; T226-L229 WeakPolarHBondContact O-CB 3.46Å; T226-L229 PolarHBondContact O-N 3.17Å; P227-L229 VanDerWaalsContact C-N 3.3Å; P227-L229 PolarHBondContact O-N 2.86Å; L229-T231 VanDerWaalsContact C-N 3.34Å; L229-V232 WeakPolarHBondContact O-CG1 3.44Å; L229-V232 WeakPolarHBondContact O-CG2 3.37Å; L229-F248 HydrophobicContact CD1-CE1 3.93Å; L229-F248 HydrophobicContact CD1-CZ 4.12Å; L229-M252 HydrophobicContact CD1-SD 3.6Å; L229-M252 HydrophobicContact CD2-SD 3.8Å; L229-M252 HydrophobicContact CG-SD 3.77Å; L229-V257 HydrophobicContact CD2-CG1 3.8Å; L229-V257 HydrophobicContact CD2-CG2 4.33Å
230	H	92.4	Very high	96.2	Very high	113 Å²	113	49.9 Å²	49.9	52%	0.523	26%	0.258	S	S	.	.	H	α-helix	trans	-76.4	-18.6	-179.6	-59.4	-58.2	0	0	0	113.6	T226 P227 L228 V232 E233	T226-H230 PolarHBondContact O-CD2 3.13Å; P227-H230 PolarHBondContact O-N 2.87Å; L228-H230 PolarHBondContact O-N 3.47Å; H230-V232 PolarHBondContact O-N 3.2Å; H230-V232 VanDerWaalsContact O-N 3.12Å; H230-E233 PolarHBondContact O-N 3.46Å
231	T	94.5	Very high	96.1	Very high	31 Å²	31	51.8 Å²	51.8	19%	0.19	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-68.8	-11.7	179.6	78.2	0	0	0	0	113.2	N133 L228 L229 E233 D234 N237	N133-T231 WeakPolarHBondContact CB-OG1 3.31Å; N133-T231 PolarHBondContact ND2-OG1 2.86Å; N133-T231 PolarHBondContact O-OG1 3.22Å; L228-T231 PolarHBondContact O-N 3.07Å; L228-T231 PolarHBondContact O-OG1 3.34Å; L228-T231 VanDerWaalsContact O-OG1 3.11Å; L229-T231 VanDerWaalsContact C-N 3.34Å; T231-E233 PolarHBondContact O-N 3.49Å; T231-D234 PolarHBondContact O-N 3.34Å; T231-N237 WeakPolarHBondContact O-CB 3.24Å
232	V	92.4	Very high	96.1	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-67.5	-16.1	177	-56.4	0	0	0	0	113	H185 L229 H230 F248	H185-V232 PolarHBondContact CE1-O 3.17Å; H185-V232 PolarHBondContact NE2-O 2.9Å; L229-V232 WeakPolarHBondContact O-CG1 3.44Å; L229-V232 WeakPolarHBondContact O-CG2 3.37Å; H230-V232 PolarHBondContact O-N 3.2Å; H230-V232 VanDerWaalsContact O-N 3.12Å; V232-F248 HydrophobicContact CB-CD1 3.98Å; V232-F248 HydrophobicContact CB-CE1 3.98Å; V232-F248 HydrophobicContact CG1-CD1 4.08Å; V232-F248 HydrophobicContact CG1-CE1 3.61Å; V232-F248 HydrophobicContact CG1-CE2 4.44Å; V232-F248 HydrophobicContact CG1-CZ 3.8Å; V232-F248 HydrophobicContact CG2-CD1 3.72Å; V232-F248 HydrophobicContact CG2-CE1 3.77Å
233	E	93.7	Very high	96	Very high	93 Å²	93	58.5 Å²	58.5	44%	0.435	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-91.6	-12.6	177.6	-55.3	-160.9	-167.8	0	0	113.2	H230 T231 K249	H230-E233 PolarHBondContact O-N 3.46Å; T231-E233 PolarHBondContact O-N 3.49Å; E233-K249 WeakPolarHBondContact OE1-CE 3.31Å; E233-K249 IonicContact OE1-NZ 3.42Å; E233-K249 PolarHBondContact OE1-NZ 2.83Å; E233-K249 IonicContact OE2-NZ 2.7Å; E233-K249 PolarHBondContact OE2-NZ 2.84Å
234	D	95.7	Very high	96	Very high	73 Å²	73	59.1 Å²	59.1	39%	0.39	30%	0.295	S	S	.	.			trans	-94.1	121.8	-171	-167.7	-21.5	0	0	0	111.4	T231 D236 N237 M238	T231-D234 PolarHBondContact O-N 3.34Å; D234-D236 VanDerWaalsContact C-N 3.25Å; D234-D236 PolarHBondContact O-N 3.44Å; D234-D236 WeakPolarHBondContact OD1-CB 3.5Å; D234-D236 PolarHBondContact OD1-N 2.94Å; D234-N237 HydrophobicContact CB-CB 4.28Å; D234-N237 PolarHBondContact O-N 3Å; D234-N237 VanDerWaalsContact O-N 3.17Å; D234-M238 WeakPolarHBondContact O-CB 3.41Å; D234-M238 VanDerWaalsContact O-CG 3.32Å; D234-M238 WeakPolarHBondContact O-CG 3.15Å; D234-M238 PolarHBondContact O-N 3.39Å
235	E	96.3	Very high	95.9	Very high	127 Å²	127	62.4 Å²	62.4	59%	0.593	31%	0.309	S	S	*	.	H	α-helix	trans	-65.1	-28.2	177	-175.5	172.4	-176.7	0	0	112.6	N237 M238 G239 V242	E235-N237 PolarHBondContact O-N 3.07Å; E235-M238 PolarHBondContact O-N 2.82Å; E235-G239 WeakPolarHBondContact O-CA 3.28Å; E235-G239 PolarHBondContact O-N 3.19Å; E235-V242 HydrophobicContact CB-CG1 4.4Å; E235-V242 HydrophobicContact CB-CG2 4.36Å; E235-V242 HydrophobicContact CG-CG1 4.19Å
236	D	97.3	Very high	95.7	Very high	102 Å²	102	64 Å²	64	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-71.2	-21.1	176	-78.3	-32.2	0	0	0	113	K136 D234	K136-D236 WeakPolarHBondContact CB-O 3.37Å; K136-D236 WeakPolarHBondContact CD-O 3.37Å; K136-D236 IonicContact NZ-OD1 2.85Å; K136-D236 PolarHBondContact NZ-OD1 3.27Å; D234-D236 VanDerWaalsContact C-N 3.25Å; D234-D236 PolarHBondContact O-N 3.44Å; D234-D236 WeakPolarHBondContact OD1-CB 3.5Å; D234-D236 PolarHBondContact OD1-N 2.94Å
237	N	97.6	Very high	95.5	Very high	32 Å²	32	67.4 Å²	67.4	17%	0.171	34%	0.335	C	S	.	.	H	α-helix	trans	-89.5	-43.8	168.3	-73	89.5	0	0	0	111.7	N133 N134 E135 K136 T231 D234 E235	N133-N237 PolarHBondContact O-ND2 3.42Å; N134-N237 CarbonylContact C-O 3.4Å; N134-N237 WeakPolarHBondContact CA-O 3.35Å; N134-N237 PolarHBondContact OD1-O 3.22Å; E135-N237 PolarHBondContact N-O 2.83Å; K136-N237 PolarHBondContact N-O 3.33Å; T231-N237 WeakPolarHBondContact O-CB 3.24Å; D234-N237 HydrophobicContact CB-CB 4.28Å; D234-N237 PolarHBondContact O-N 3Å; D234-N237 VanDerWaalsContact O-N 3.17Å; E235-N237 PolarHBondContact O-N 3.07Å
238	M	97.8	Very high	95.4	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-94.5	-18.4	-165	-60.8	-49.3	-44.5	0	0	114.3	N133 E135 H185 Q186 D234 E235 K240 F241 V242	N133-M238 PolarHBondContact ND2-SD 2.94Å; E135-M238 HydrophobicContact CB-CE 4.21Å; E135-M238 HydrophobicContact CG-CE 3.63Å; H185-M238 WeakPolarHBondContact CE1-CE 3.45Å; H185-M238 WeakPolarHBondContact ND1-CE 3.34Å; H185-M238 WeakPolarHBondContact O-CE 3.33Å; Q186-M238 HydrophobicContact CG-CE 3.85Å; D234-M238 WeakPolarHBondContact O-CB 3.41Å; D234-M238 VanDerWaalsContact O-CG 3.32Å; D234-M238 WeakPolarHBondContact O-CG 3.15Å; D234-M238 PolarHBondContact O-N 3.39Å; E235-M238 PolarHBondContact O-N 2.82Å; M238-K240 PolarHBondContact O-N 3Å; M238-F241 HydrophobicContact CE-CB 4.24Å; M238-F241 WeakPolarHBondContact O-CB 3.45Å; M238-F241 PolarHBondContact O-N 3.46Å; M238-V242 HydrophobicContact CB-CB 3.78Å; M238-V242 HydrophobicContact CB-CG2 4.23Å
239	G	96.9	Very high	95.3	Very high	13 Å²	13	65.5 Å²	65.5	13%	0.134	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	49	-132.7	-174.8	0	0	0	0	0	111.5	E235 F241 V242	E235-G239 WeakPolarHBondContact O-CA 3.28Å; E235-G239 PolarHBondContact O-N 3.19Å; G239-F241 PolarHBondContact O-N 3.15Å; G239-V242 WeakPolarHBondContact O-CB 3.45Å; G239-V242 VanDerWaalsContact O-CG1 3.24Å; G239-V242 WeakPolarHBondContact O-CG1 3.49Å; G239-V242 PolarHBondContact O-N 3.24Å; G239-V242 VanDerWaalsContact O-N 3.14Å
240	K	96.5	Very high	95.3	Very high	159 Å²	159	71 Å²	71	69%	0.691	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-61.4	-17	-179.9	73	179.2	-178.9	-176.1	0	114.7	M238 V242 K243	M238-K240 PolarHBondContact O-N 3Å; K240-V242 VanDerWaalsContact C-N 3.34Å; K240-K243 WeakPolarHBondContact O-CD 3.31Å; K240-K243 WeakPolarHBondContact O-CG 3.45Å
241	F	97.5	Very high	95.3	Very high	40 Å²	40	67.7 Å²	67.7	18%	0.175	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-82.8	-14.3	-178.3	-58.6	-75.3	0	0	0	112.5	E135 P184 H185 P187 M238 G239 K243 F244	E135-F241 HydrophobicContact CB-CD2 3.74Å; E135-F241 HydrophobicContact CB-CE2 4.24Å; E135-F241 HydrophobicContact CG-CD2 4.22Å; P184-F241 WeakPolarHBondContact O-CD1 3.27Å; H185-F241 PolarHBondContact CD2-O 2.84Å; H185-F241 PolarHBondContact NE2-O 3.41Å; H185-F241 VanDerWaalsContact O-CB 3.29Å; H185-F241 WeakPolarHBondContact O-CB 3.29Å; P187-F241 HydrophobicContact CG-CD1 4.3Å; P187-F241 HydrophobicContact CG-CD2 4.46Å; P187-F241 HydrophobicContact CG-CE1 3.69Å; P187-F241 HydrophobicContact CG-CE2 3.85Å; P187-F241 HydrophobicContact CG-CZ 3.43Å; P187-F241 VanDerWaalsContact CG-CZ 3.43Å; M238-F241 HydrophobicContact CE-CB 4.24Å; M238-F241 WeakPolarHBondContact O-CB 3.45Å; M238-F241 PolarHBondContact O-N 3.46Å; G239-F241 PolarHBondContact O-N 3.15Å; F241-K243 PolarHBondContact O-N 2.89Å; F241-F244 HydrophobicContact CB-CD2 4.44Å; F241-F244 HydrophobicContact CD1-CD2 4.34Å; F241-F244 HydrophobicContact CD1-CE2 4.08Å; F241-F244 WeakPolarHBondContact O-CD2 3.38Å; F241-F244 PolarHBondContact O-N 2.93Å
242	V	97.1	Very high	95.2	Very high	26 Å²	26	67.3 Å²	67.3	16%	0.158	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-53.2	-24.8	177.2	76.6	0	0	0	0	113	E235 M238 G239 K240 F244 K245	E235-V242 HydrophobicContact CB-CG1 4.4Å; E235-V242 HydrophobicContact CB-CG2 4.36Å; E235-V242 HydrophobicContact CG-CG1 4.19Å; M238-V242 HydrophobicContact CB-CB 3.78Å; M238-V242 HydrophobicContact CB-CG2 4.23Å; G239-V242 WeakPolarHBondContact O-CB 3.45Å; G239-V242 VanDerWaalsContact O-CG1 3.24Å; G239-V242 WeakPolarHBondContact O-CG1 3.49Å; G239-V242 PolarHBondContact O-N 3.24Å; G239-V242 VanDerWaalsContact O-N 3.14Å; K240-V242 VanDerWaalsContact C-N 3.34Å; V242-F244 PolarHBondContact O-N 2.91Å; V242-K245 HydrophobicContact CG2-CD 4.23Å; V242-K245 VanDerWaalsContact O-CB 3.24Å; V242-K245 WeakPolarHBondContact O-CB 3.18Å; V242-K245 WeakPolarHBondContact O-CG 3.49Å; V242-K245 PolarHBondContact O-N 3.43Å; V242-K245 VanDerWaalsContact O-N 3.07Å
243	K	96.2	Very high	95.3	Very high	147 Å²	147	74 Å²	74	64%	0.639	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-61	-19.4	174.8	71	-174.4	178.6	172.9	0	114.5	K240 F241	K240-K243 WeakPolarHBondContact O-CD 3.31Å; K240-K243 WeakPolarHBondContact O-CG 3.45Å; F241-K243 PolarHBondContact O-N 2.89Å
244	F	96	Very high	95.3	Very high	58 Å²	58	77.4 Å²	77.4	25%	0.254	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-96.5	10.8	176.3	-48.9	-70.4	0	0	0	113.1	H185 F241 V242 D246 D247 F248	H185-F244 HydrophobicContact CB-CB 4.2Å; H185-F244 VanDerWaalsContact CD2-C 3.5Å; F241-F244 HydrophobicContact CB-CD2 4.44Å; F241-F244 HydrophobicContact CD1-CD2 4.34Å; F241-F244 HydrophobicContact CD1-CE2 4.08Å; F241-F244 WeakPolarHBondContact O-CD2 3.38Å; F241-F244 PolarHBondContact O-N 2.93Å; V242-F244 PolarHBondContact O-N 2.91Å; F244-D246 PolarHBondContact O-N 3.36Å; F244-D247 PolarHBondContact O-N 2.93Å; F244-F248 PolarHBondContact O-N 3.32Å; F244-F248 VanDerWaalsContact O-N 3.09Å
245	K	94.6	Very high	95.2	Very high	77 Å²	77	79.1 Å²	79.1	34%	0.335	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-33.4	-178	69	-175.3	178.6	179.9	0	113.2	V242 F248 K249	V242-K245 HydrophobicContact CG2-CD 4.23Å; V242-K245 VanDerWaalsContact O-CB 3.24Å; V242-K245 WeakPolarHBondContact O-CB 3.18Å; V242-K245 WeakPolarHBondContact O-CG 3.49Å; V242-K245 PolarHBondContact O-N 3.43Å; V242-K245 VanDerWaalsContact O-N 3.07Å; K245-F248 WeakPolarHBondContact O-CB 3.43Å; K245-F248 PolarHBondContact O-N 3.38Å; K245-K249 WeakPolarHBondContact O-CG 3.49Å; K245-K249 PolarHBondContact O-N 2.85Å
246	D	94.4	Very high	95.2	Very high	104 Å²	104	74.2 Å²	74.2	56%	0.556	37%	0.367	S	S	*	.	H	α-helix	trans	-72.7	-38.9	-178.2	-64.7	-27.4	0	0	0	111.4	F244 F248 K249 Q250	F244-D246 PolarHBondContact O-N 3.36Å; D246-F248 VanDerWaalsContact C-N 3.28Å; D246-F248 PolarHBondContact O-N 3.11Å; D246-K249 PolarHBondContact O-N 2.95Å; D246-Q250 WeakPolarHBondContact O-CB 3.27Å; D246-Q250 PolarHBondContact O-N 2.96Å
247	D	93.4	Very high	95.2	Very high	90 Å²	90	72.2 Å²	72.2	48%	0.481	36%	0.358	S	S	.	.	H	α-helix	trans	-62.9	-38.3	171.4	-64.3	-22.4	0	0	0	111.1	F244 Q250 S251	F244-D247 PolarHBondContact O-N 2.93Å; D247-Q250 PolarHBondContact O-N 2.97Å; D247-S251 WeakPolarHBondContact O-CB 3.46Å; D247-S251 PolarHBondContact O-N 3.43Å; D247-S251 PolarHBondContact O-OG 3.44Å
248	F	93.1	Very high	95.3	Very high	14 Å²	14	71 Å²	71	6%	0.061	35%	0.351	C	S	.	.	H	α-helix	trans	-64.3	-45.3	175	-169.9	-88.9	0	0	0	111.2	H185 F223 L229 V232 F244 K245 D246 Q250 S251 M252	H185-F248 HydrophobicContact CB-CD2 4.2Å; F223-F248 HydrophobicContact CD1-CE1 4.39Å; F223-F248 AromaticContact CD1-CZ 3.85Å; F223-F248 HydrophobicContact CD1-CZ 3.85Å; F223-F248 HydrophobicContact CE1-CE1 4.12Å; F223-F248 AromaticContact CE1-CE2 3.68Å; F223-F248 HydrophobicContact CE1-CE2 3.68Å; F223-F248 AromaticContact CE1-CZ 3.42Å; F223-F248 HydrophobicContact CE1-CZ 3.42Å; F223-F248 VanDerWaalsContact CE1-CZ 3.42Å; F223-F248 HydrophobicContact CZ-CE2 4.45Å; F223-F248 HydrophobicContact CZ-CZ 4.43Å; L229-F248 HydrophobicContact CD1-CE1 3.93Å; L229-F248 HydrophobicContact CD1-CZ 4.12Å; V232-F248 HydrophobicContact CB-CD1 3.98Å; V232-F248 HydrophobicContact CB-CE1 3.98Å; V232-F248 HydrophobicContact CG1-CD1 4.08Å; V232-F248 HydrophobicContact CG1-CE1 3.61Å; V232-F248 HydrophobicContact CG1-CE2 4.44Å; V232-F248 HydrophobicContact CG1-CZ 3.8Å; V232-F248 HydrophobicContact CG2-CD1 3.72Å; V232-F248 HydrophobicContact CG2-CE1 3.77Å; F244-F248 PolarHBondContact O-N 3.32Å; F244-F248 VanDerWaalsContact O-N 3.09Å; K245-F248 WeakPolarHBondContact O-CB 3.43Å; K245-F248 PolarHBondContact O-N 3.38Å; D246-F248 VanDerWaalsContact C-N 3.28Å; D246-F248 PolarHBondContact O-N 3.11Å; F248-Q250 PolarHBondContact O-N 3.48Å; F248-S251 WeakPolarHBondContact O-CB 3.45Å; F248-S251 PolarHBondContact O-N 2.85Å; F248-M252 HydrophobicContact CD1-CE 3.83Å; F248-M252 HydrophobicContact CD1-CG 4.24Å; F248-M252 HydrophobicContact CD1-SD 4.11Å; F248-M252 HydrophobicContact CE1-CE 3.95Å; F248-M252 HydrophobicContact CE1-CG 3.95Å; F248-M252 HydrophobicContact CE1-SD 3.64Å; F248-M252 PolarHBondContact O-N 2.88Å
249	K	93.5	Very high	95.3	Very high	59 Å²	59	75.9 Å²	75.9	26%	0.257	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-42.7	173.9	-74.1	178.5	-178.3	-164.2	0	112.3	E233 K245 D246 S251 M252 N253	E233-K249 WeakPolarHBondContact OE1-CE 3.31Å; E233-K249 IonicContact OE1-NZ 3.42Å; E233-K249 PolarHBondContact OE1-NZ 2.83Å; E233-K249 IonicContact OE2-NZ 2.7Å; E233-K249 PolarHBondContact OE2-NZ 2.84Å; K245-K249 WeakPolarHBondContact O-CG 3.49Å; K245-K249 PolarHBondContact O-N 2.85Å; D246-K249 PolarHBondContact O-N 2.95Å; K249-S251 VanDerWaalsContact C-N 3.27Å; K249-S251 PolarHBondContact O-N 3.5Å; K249-M252 HydrophobicContact CB-CE 4.32Å; K249-M252 HydrophobicContact CG-CE 3.86Å; K249-M252 PolarHBondContact O-N 3.33Å; K249-N253 PolarHBondContact O-N 3.11Å
250	Q	93.9	Very high	95.4	Very high	132 Å²	132	76 Å²	76	62%	0.617	37%	0.372	S	S	*	.	H	α-helix	trans	-61	-40.1	175.5	-169.5	-177.3	26.2	0	0	111.3	D246 D247 F248 N253 K254	D246-Q250 WeakPolarHBondContact O-CB 3.27Å; D246-Q250 PolarHBondContact O-N 2.96Å; D247-Q250 PolarHBondContact O-N 2.97Å; F248-Q250 PolarHBondContact O-N 3.48Å; Q250-N253 PolarHBondContact O-N 3.29Å; Q250-K254 WeakPolarHBondContact O-CB 3.49Å; Q250-K254 PolarHBondContact O-N 3.38Å
251	S	92.9	Very high	95.4	Very high	43 Å²	43	72.5 Å²	72.5	30%	0.301	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-43.3	175	-60.7	0	0	0	0	111.7	D247 F248 K249 K254 F255	D247-S251 WeakPolarHBondContact O-CB 3.46Å; D247-S251 PolarHBondContact O-N 3.43Å; D247-S251 PolarHBondContact O-OG 3.44Å; F248-S251 WeakPolarHBondContact O-CB 3.45Å; F248-S251 PolarHBondContact O-N 2.85Å; K249-S251 VanDerWaalsContact C-N 3.27Å; K249-S251 PolarHBondContact O-N 3.5Å; S251-K254 PolarHBondContact O-N 3.26Å; S251-F255 WeakPolarHBondContact O-CB 3.43Å; S251-F255 WeakPolarHBondContact O-CD2 3.06Å; S251-F255 PolarHBondContact O-N 3.35Å
252	M	93.3	Very high	95.5	Very high	23 Å²	23	73.3 Å²	73.3	11%	0.113	37%	0.372	C	S	.	.	H	α-helix	trans	-60.8	-45.5	174.3	-68.4	-169.5	-68.8	0	0	112	F223 L229 F248 K249 K254 G256 V257	F223-M252 HydrophobicContact CB-CG 4.46Å; F223-M252 HydrophobicContact CD1-CG 3.96Å; F223-M252 HydrophobicContact CD2-CB 4.39Å; F223-M252 HydrophobicContact CD2-CG 3.92Å; F223-M252 HydrophobicContact CE1-CG 4.15Å; F223-M252 HydrophobicContact CE2-CG 4.1Å; F223-M252 HydrophobicContact CG-CG 3.84Å; F223-M252 HydrophobicContact CZ-CG 4.21Å; L229-M252 HydrophobicContact CD1-SD 3.6Å; L229-M252 HydrophobicContact CD2-SD 3.8Å; L229-M252 HydrophobicContact CG-SD 3.77Å; F248-M252 HydrophobicContact CD1-CE 3.83Å; F248-M252 HydrophobicContact CD1-CG 4.24Å; F248-M252 HydrophobicContact CD1-SD 4.11Å; F248-M252 HydrophobicContact CE1-CE 3.95Å; F248-M252 HydrophobicContact CE1-CG 3.95Å; F248-M252 HydrophobicContact CE1-SD 3.64Å; F248-M252 PolarHBondContact O-N 2.88Å; K249-M252 HydrophobicContact CB-CE 4.32Å; K249-M252 HydrophobicContact CG-CE 3.86Å; K249-M252 PolarHBondContact O-N 3.33Å; M252-K254 VanDerWaalsContact C-N 3.27Å; M252-K254 PolarHBondContact O-N 3.28Å; M252-G256 VanDerWaalsContact O-CA 3.31Å; M252-G256 WeakPolarHBondContact O-CA 3.46Å; M252-G256 PolarHBondContact O-N 2.97Å; M252-V257 HydrophobicContact CB-CG2 4.3Å
253	N	94.1	Very high	95.6	Very high	142 Å²	142	72 Å²	72	76%	0.759	36%	0.364	S	S	*	.	H	α-helix	trans	-62.8	-35.8	178.1	-69.6	-18.7	0	0	0	112.1	K249 Q250	K249-N253 PolarHBondContact O-N 3.11Å; Q250-N253 PolarHBondContact O-N 3.29Å
254	K	93.9	Very high	95.7	Very high	164 Å²	164	65 Å²	65	71%	0.713	33%	0.334	S	S	*	.	H	α-helix	trans	-75.9	-43.9	180	-178.4	176.9	177.9	178.1	0	113	Q250 S251 M252	Q250-K254 WeakPolarHBondContact O-CB 3.49Å; Q250-K254 PolarHBondContact O-N 3.38Å; S251-K254 PolarHBondContact O-N 3.26Å; M252-K254 VanDerWaalsContact C-N 3.27Å; M252-K254 PolarHBondContact O-N 3.28Å
255	F	93.4	Very high	95.8	Very high	109 Å²	109	66.3 Å²	66.3	48%	0.478	34%	0.34	S	S	.	.	H	α-helix	trans	-95.6	-14.3	-172.5	-62.5	-59.4	0	0	0	113.8	F223 S251 C285	F223-F255 HydrophobicContact CD2-CB 4.43Å; F223-F255 HydrophobicContact CE2-CB 4.2Å; F223-F255 HydrophobicContact CE2-CD2 4.17Å; S251-F255 WeakPolarHBondContact O-CB 3.43Å; S251-F255 WeakPolarHBondContact O-CD2 3.06Å; S251-F255 PolarHBondContact O-N 3.35Å; F255-C285 VanDerWaalsContact O-CB 3.31Å; F255-C285 WeakPolarHBondContact O-CB 3.49Å
256	G	96.4	Very high	96	Very high	25 Å²	25	62.6 Å²	62.6	26%	0.258	32%	0.324	S	S	.	.			trans	83.3	167.6	-177.3	0	0	0	0	0	113.4	M252	M252-G256 VanDerWaalsContact O-CA 3.31Å; M252-G256 WeakPolarHBondContact O-CA 3.46Å; M252-G256 PolarHBondContact O-N 2.97Å
257	V	97.5	Very high	96.2	Very high	59 Å²	59	57.7 Å²	57.7	36%	0.358	30%	0.298	S	S	.	.			trans	-120.6	125.6	178.2	-176.1	0	0	0	0	108.9	F223 D225 L229 M252	F223-V257 HydrophobicContact CB-CG2 4.29Å; D225-V257 HydrophobicContact CB-CG1 3.82Å; L229-V257 HydrophobicContact CD2-CG1 3.8Å; L229-V257 HydrophobicContact CD2-CG2 4.33Å; M252-V257 HydrophobicContact CB-CG2 4.3Å
258	L	98.1	Very high	96.4	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.042	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-81.4	158.2	178.4	-61.7	165.7	0	0	0	110.8	A222 F223 V224 D225 L262 I263 I283 C285	A222-L258 HydrophobicContact CB-CD1 3.97Å; F223-L258 WeakPolarHBondContact O-CB 3.44Å; F223-L258 PolarHBondContact O-N 3.38Å; V224-L258 CarbonylContact C-O 3.52Å; V224-L258 WeakPolarHBondContact CA-O 3.43Å; V224-L258 HydrophobicContact CG2-CB 4.36Å; D225-L258 PolarHBondContact N-O 2.87Å; L258-L262 HydrophobicContact CD2-CD2 3.76Å; L258-I263 HydrophobicContact CB-CD1 4.22Å; L258-I263 HydrophobicContact CD1-CD1 3.86Å; L258-I283 HydrophobicContact CD1-CB 4.32Å; L258-I283 HydrophobicContact CD1-CG2 3.86Å; L258-I283 WeakPolarHBondContact CD1-O 3.32Å; L258-I283 HydrophobicContact CD2-CG2 4.5Å; L258-C285 HydrophobicContact CD2-CB 4.38Å; L258-C285 WeakPolarHBondContact CD2-SG 2.92Å
259	Q	98.3	Very high	96.7	Very high	101 Å²	101	59.4 Å²	59.4	47%	0.472	30%	0.298	S	S	.	.			trans	-99.3	142.7	173.9	-67.6	-64.1	-42.3	0	0	110.6	D225 P261 L262	D225-Q259 VanDerWaalsContact CB-NE2 3.35Å; D225-Q259 PolarHBondContact OD2-NE2 3.34Å; D225-Q259 VanDerWaalsContact OD2-NE2 3.09Å; Q259-P261 VanDerWaalsContact C-N 3.32Å; Q259-P261 VanDerWaalsContact O-N 3.15Å; Q259-L262 PolarHBondContact O-N 3.3Å; Q259-L262 VanDerWaalsContact O-N 3.14Å
260	P	98.4	Very high	96.9	Very high	16 Å²	16	56.6 Å²	56.6	10%	0.104	29%	0.286	C	S	.	.	H	α-helix	trans	-49.1	-37.8	-178.8	-29.2	35.1	0	0	0	116.3	A58 V224 D225 T226 L262 I263 A264	A58-P260 HydrophobicContact CB-CB 3.72Å; V224-P260 HydrophobicContact CG1-CG 4.03Å; D225-P260 WeakPolarHBondContact O-CG 3.29Å; T226-P260 HydrophobicContact CG2-CG 4.05Å; P260-L262 VanDerWaalsContact C-N 3.3Å; P260-L262 PolarHBondContact O-N 3.41Å; P260-I263 WeakPolarHBondContact O-CB 3.24Å; P260-I263 PolarHBondContact O-N 2.97Å; P260-A264 PolarHBondContact O-N 2.87Å
261	P	98.4	Very high	97.1	Very high	86 Å²	86	50.4 Å²	50.4	56%	0.558	26%	0.257	S	S	*	.	H	α-helix	trans	-58.2	-36	178.9	-28.3	37.7	0	0	0	114.8	Q259 I263 A264 E265	Q259-P261 VanDerWaalsContact C-N 3.32Å; Q259-P261 VanDerWaalsContact O-N 3.15Å; P261-I263 VanDerWaalsContact C-N 3.27Å; P261-I263 PolarHBondContact O-N 3.44Å; P261-A264 PolarHBondContact O-N 3.42Å; P261-E265 PolarHBondContact O-N 3.22Å
262	L	98.4	Very high	97.4	Very high	56 Å²	56	50.4 Å²	50.4	29%	0.293	25%	0.254	S	S	.	.	H	α-helix	trans	-68.4	-30.7	177	178.4	58.2	0	0	0	111.7	L258 Q259 P260 E265 G266 I283 I289	L258-L262 HydrophobicContact CD2-CD2 3.76Å; Q259-L262 PolarHBondContact O-N 3.3Å; Q259-L262 VanDerWaalsContact O-N 3.14Å; P260-L262 VanDerWaalsContact C-N 3.3Å; P260-L262 PolarHBondContact O-N 3.41Å; L262-E265 PolarHBondContact O-N 3.26Å; L262-G266 PolarHBondContact O-N 2.86Å; L262-I283 HydrophobicContact CD2-CG2 4.15Å; L262-I283 HydrophobicContact CG-CG2 4.04Å; L262-I289 HydrophobicContact CD1-CD1 4.15Å; L262-I289 HydrophobicContact CD1-CG1 4.33Å
263	I	98.6	Very high	97.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.7	-42.4	175.8	-48.8	-49.4	0	0	0	110.2	I55 L219 P221 V224 L258 P260 P261 E265 G266 M267 I283	I55-I263 HydrophobicContact CB-CG2 4.5Å; I55-I263 HydrophobicContact CD1-CG2 4.19Å; I55-I263 HydrophobicContact CG1-CB 4.28Å; I55-I263 HydrophobicContact CG1-CG1 4.3Å; I55-I263 HydrophobicContact CG1-CG2 4.14Å; I55-I263 HydrophobicContact CG2-CB 4.16Å; I55-I263 HydrophobicContact CG2-CG2 3.55Å; L219-I263 HydrophobicContact CD2-CG2 3.43Å; L219-I263 VanDerWaalsContact CD2-CG2 3.43Å; L219-I263 HydrophobicContact CG-CG2 4.49Å; P221-I263 HydrophobicContact CB-CD1 3.77Å; P221-I263 HydrophobicContact CB-CG1 4.35Å; P221-I263 HydrophobicContact CB-CG2 4.23Å; V224-I263 HydrophobicContact CG1-CG1 3.88Å; V224-I263 HydrophobicContact CG2-CD1 3.94Å; V224-I263 HydrophobicContact CG2-CG1 3.84Å; L258-I263 HydrophobicContact CB-CD1 4.22Å; L258-I263 HydrophobicContact CD1-CD1 3.86Å; P260-I263 WeakPolarHBondContact O-CB 3.24Å; P260-I263 PolarHBondContact O-N 2.97Å; P261-I263 VanDerWaalsContact C-N 3.27Å; P261-I263 PolarHBondContact O-N 3.44Å; I263-E265 VanDerWaalsContact C-N 3.32Å; I263-E265 PolarHBondContact O-N 3.08Å; I263-G266 PolarHBondContact O-N 3.4Å; I263-M267 HydrophobicContact CG2-CE 4.46Å; I263-M267 PolarHBondContact O-N 2.85Å; I263-I283 HydrophobicContact CD1-CB 4.06Å; I263-I283 HydrophobicContact CD1-CD1 4.05Å; I263-I283 HydrophobicContact CD1-CG2 3.91Å
264	A	98.6	Very high	97.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-39.8	173.7	0	0	0	0	0	111.9	A58 S62 P260 P261 G266 M267 M268	A58-A264 VanDerWaalsContact C-CB 3.46Å; A58-A264 HydrophobicContact CB-CB 3.87Å; A58-A264 WeakPolarHBondContact O-CB 3.42Å; S62-A264 WeakPolarHBondContact OG-CB 3.35Å; P260-A264 PolarHBondContact O-N 2.87Å; P261-A264 PolarHBondContact O-N 3.42Å; A264-G266 VanDerWaalsContact C-N 3.3Å; A264-G266 PolarHBondContact O-N 3.09Å; A264-M267 WeakPolarHBondContact O-CB 2.79Å; A264-M267 PolarHBondContact O-N 3.11Å; A264-M267 VanDerWaalsContact O-N 3.11Å; A264-M268 WeakPolarHBondContact O-CG 3.47Å; A264-M268 PolarHBondContact O-N 3.4Å
265	E	98.5	Very high	97.7	Very high	84 Å²	84	44.4 Å²	44.4	39%	0.393	24%	0.241	S	C	.	.	H	α-helix	trans	-56.7	-43.6	173.2	-170.3	-168.3	151.7	0	0	111.8	P261 L262 I263 M267 M268 R269 I289	P261-E265 PolarHBondContact O-N 3.22Å; L262-E265 PolarHBondContact O-N 3.26Å; I263-E265 VanDerWaalsContact C-N 3.32Å; I263-E265 PolarHBondContact O-N 3.08Å; E265-M267 PolarHBondContact O-N 3.36Å; E265-M268 PolarHBondContact O-N 3.46Å; E265-R269 WeakPolarHBondContact O-CG 3.47Å; E265-R269 PolarHBondContact O-N 3.33Å; E265-R269 IonicContact OE1-CZ 3.78Å; E265-R269 IonicContact OE1-NE 3.83Å; E265-R269 PolarHBondContact OE1-NE 2.89Å; E265-R269 IonicContact OE1-NH2 3.38Å; E265-R269 PolarHBondContact OE1-NH2 3.18Å; E265-I289 HydrophobicContact CB-CD1 4.29Å; E265-I289 HydrophobicContact CG-CD1 4.13Å
266	G	98.6	Very high	97.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-42.4	174.1	0	0	0	0	0	113.4	L262 I263 A264 M268 R269 L270 M281	L262-G266 PolarHBondContact O-N 2.86Å; I263-G266 PolarHBondContact O-N 3.4Å; A264-G266 VanDerWaalsContact C-N 3.3Å; A264-G266 PolarHBondContact O-N 3.09Å; G266-M268 VanDerWaalsContact C-N 3.32Å; G266-M268 PolarHBondContact O-N 3.06Å; G266-R269 PolarHBondContact O-N 3.26Å; G266-L270 PolarHBondContact O-N 3.03Å; G266-M281 VanDerWaalsContact CA-SD 3.54Å; G266-M281 VanDerWaalsContact O-SD 3.38Å
267	M	98.6	Very high	97.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-43.8	173.2	-66.7	-178.8	176.3	0	0	111.6	I55 A59 I127 I172 V174 L219 I263 A264 E265 R269 L270 I271	I55-M267 HydrophobicContact CG2-CE 3.48Å; I55-M267 VanDerWaalsContact CG2-CE 3.48Å; I55-M267 HydrophobicContact CG2-SD 4.48Å; A59-M267 HydrophobicContact CB-SD 3.51Å; A59-M267 VanDerWaalsContact CB-SD 3.51Å; I127-M267 HydrophobicContact CD1-SD 4.01Å; I127-M267 HydrophobicContact CG2-CE 4Å; I127-M267 HydrophobicContact CG2-SD 3.95Å; I172-M267 HydrophobicContact CD1-CB 3.88Å; I172-M267 HydrophobicContact CD1-CG 4.27Å; I172-M267 WeakPolarHBondContact CD1-O 3.35Å; V174-M267 HydrophobicContact CG2-CE 3.48Å; V174-M267 VanDerWaalsContact CG2-CE 3.48Å; L219-M267 HydrophobicContact CD2-CE 3.42Å; L219-M267 VanDerWaalsContact CD2-CE 3.42Å; L219-M267 HydrophobicContact CD2-CG 3.53Å; L219-M267 HydrophobicContact CD2-SD 4.31Å; I263-M267 HydrophobicContact CG2-CE 4.46Å; I263-M267 PolarHBondContact O-N 2.85Å; A264-M267 WeakPolarHBondContact O-CB 2.79Å; A264-M267 PolarHBondContact O-N 3.11Å; A264-M267 VanDerWaalsContact O-N 3.11Å; E265-M267 PolarHBondContact O-N 3.36Å; M267-R269 VanDerWaalsContact C-N 3.32Å; M267-R269 PolarHBondContact O-N 3.09Å; M267-L270 WeakPolarHBondContact O-CB 3.38Å; M267-L270 PolarHBondContact O-N 2.94Å; M267-I271 WeakPolarHBondContact O-CD1 3.31Å; M267-I271 WeakPolarHBondContact O-CG1 3.37Å; M267-I271 PolarHBondContact O-N 3.34Å
268	M	98.6	Very high	98	Very high	17 Å²	17	39.9 Å²	39.9	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-40.1	176.6	-63.3	-51.2	-63.1	0	0	111.6	L41 L63 S66 A264 E265 G266 L270 I271 L272	L41-M268 HydrophobicContact CD1-CE 3.32Å; L63-M268 HydrophobicContact CD2-CE 4.47Å; L63-M268 HydrophobicContact CD2-SD 4.17Å; L63-M268 HydrophobicContact CG-SD 4.25Å; S66-M268 VanDerWaalsContact OG-CE 3.29Å; S66-M268 WeakPolarHBondContact OG-CE 3.31Å; A264-M268 WeakPolarHBondContact O-CG 3.47Å; A264-M268 PolarHBondContact O-N 3.4Å; E265-M268 PolarHBondContact O-N 3.46Å; G266-M268 VanDerWaalsContact C-N 3.32Å; G266-M268 PolarHBondContact O-N 3.06Å; M268-L270 PolarHBondContact O-N 3.49Å; M268-I271 PolarHBondContact O-N 3.34Å; M268-I271 HydrophobicContact SD-CD1 4.25Å; M268-L272 HydrophobicContact CB-CD1 4.29Å; M268-L272 HydrophobicContact CE-CD1 4.44Å; M268-L272 VanDerWaalsContact O-CB 3.28Å; M268-L272 WeakPolarHBondContact O-CB 3.47Å; M268-L272 WeakPolarHBondContact O-CG 3.37Å; M268-L272 PolarHBondContact O-N 2.71Å
269	R	98.3	Very high	98	Very high	122 Å²	122	40.2 Å²	40.2	46%	0.46	22%	0.221	S	C	.	.	H	α-helix	trans	-61.8	-42.2	174.6	-67.9	-175.1	-166.5	-162.6	3.8	112.3	E265 G266 M267 I271 D273 M281	E265-R269 WeakPolarHBondContact O-CG 3.47Å; E265-R269 PolarHBondContact O-N 3.33Å; E265-R269 IonicContact OE1-CZ 3.78Å; E265-R269 IonicContact OE1-NE 3.83Å; E265-R269 PolarHBondContact OE1-NE 2.89Å; E265-R269 IonicContact OE1-NH2 3.38Å; E265-R269 PolarHBondContact OE1-NH2 3.18Å; G266-R269 PolarHBondContact O-N 3.26Å; M267-R269 VanDerWaalsContact C-N 3.32Å; M267-R269 PolarHBondContact O-N 3.09Å; R269-I271 VanDerWaalsContact C-N 3.3Å; R269-I271 PolarHBondContact O-N 3.29Å; R269-D273 VanDerWaalsContact O-CB 3.31Å; R269-D273 WeakPolarHBondContact O-CB 3.38Å; R269-D273 PolarHBondContact O-N 3.24Å; R269-D273 VanDerWaalsContact O-N 3.12Å; R269-M281 HydrophobicContact CB-CE 4.11Å
270	L	98.4	Very high	98	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-37.3	174.8	-70.3	176.4	0	0	0	112.5	I172 R215 N217 L219 G266 M267 M268 L276 A279 M281 F291	I172-L270 HydrophobicContact CD1-CB 3.9Å; I172-L270 HydrophobicContact CD1-CD1 4.28Å; I172-L270 HydrophobicContact CG1-CB 4.23Å; I172-L270 HydrophobicContact CG1-CD1 4.25Å; I172-L270 HydrophobicContact CG2-CD1 4.24Å; R215-L270 PolarHBondContact NH1-O 3.5Å; R215-L270 PolarHBondContact NH2-O 3.3Å; N217-L270 HydrophobicContact CB-CD1 4.13Å; N217-L270 HydrophobicContact CB-CD2 3.87Å; N217-L270 HydrophobicContact CB-CG 4.41Å; L219-L270 HydrophobicContact CB-CD1 4.35Å; L219-L270 HydrophobicContact CD1-CD1 4.24Å; G266-L270 PolarHBondContact O-N 3.03Å; M267-L270 WeakPolarHBondContact O-CB 3.38Å; M267-L270 PolarHBondContact O-N 2.94Å; M268-L270 PolarHBondContact O-N 3.49Å; L270-L276 HydrophobicContact CD2-CD1 3.88Å; L270-A279 HydrophobicContact CD2-CB 4.33Å; L270-M281 HydrophobicContact CD1-CB 4.24Å; L270-M281 HydrophobicContact CD1-CE 4.46Å; L270-M281 HydrophobicContact CD1-SD 4.26Å; L270-M281 HydrophobicContact CD2-CB 4.19Å; L270-M281 HydrophobicContact CD2-CE 3.68Å; L270-M281 HydrophobicContact CD2-SD 4.47Å; L270-M281 HydrophobicContact CG-CB 4.47Å; L270-M281 HydrophobicContact CG-CE 3.65Å; L270-M281 HydrophobicContact CG-SD 4.04Å; L270-F291 HydrophobicContact CD2-CE1 4.02Å
271	I	98.4	Very high	98	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-71.8	-47.9	178.4	-70.8	158.4	0	0	0	111.1	L41 L63 I125 I127 I172 R215 M267 M268 R269	L41-I271 HydrophobicContact CD1-CG2 3.84Å; L41-I271 HydrophobicContact CD2-CG2 3.7Å; L41-I271 HydrophobicContact CG-CG2 4.38Å; L63-I271 HydrophobicContact CD2-CD1 4.02Å; I125-I271 HydrophobicContact CD1-CD1 4.45Å; I125-I271 HydrophobicContact CD1-CG2 3.76Å; I125-I271 HydrophobicContact CG1-CG2 4.33Å; I125-I271 HydrophobicContact CG2-CD1 3.95Å; I125-I271 HydrophobicContact CG2-CG1 4.18Å; I127-I271 HydrophobicContact CD1-CD1 4.42Å; I172-I271 HydrophobicContact CD1-CD1 3.9Å; I172-I271 HydrophobicContact CD1-CG1 3.67Å; R215-I271 PolarHBondContact NH2-O 3.2Å; M267-I271 WeakPolarHBondContact O-CD1 3.31Å; M267-I271 WeakPolarHBondContact O-CG1 3.37Å; M267-I271 PolarHBondContact O-N 3.34Å; M268-I271 PolarHBondContact O-N 3.34Å; M268-I271 HydrophobicContact SD-CD1 4.25Å; R269-I271 VanDerWaalsContact C-N 3.3Å; R269-I271 PolarHBondContact O-N 3.29Å
272	L	97.8	Very high	98	Very high	44 Å²	44	32.3 Å²	32.3	23%	0.23	18%	0.175	C	C	.	.	H	α-helix	trans	-80	-23.5	-168.7	-67.2	170.5	0	0	0	113.7	I38 M39 L41 M268 P274	I38-L272 HydrophobicContact CG2-CB 4.35Å; I38-L272 HydrophobicContact CG2-CD1 4.48Å; I38-L272 HydrophobicContact CG2-CD2 4.18Å; M39-L272 PolarHBondContact N-O 2.65Å; M39-L272 WeakPolarHBondContact O-CD2 3.29Å; L41-L272 HydrophobicContact CD1-CD2 3.83Å; L41-L272 HydrophobicContact CD2-CD2 4.25Å; L41-L272 HydrophobicContact CG-CD2 3.75Å; M268-L272 HydrophobicContact CB-CD1 4.29Å; M268-L272 HydrophobicContact CE-CD1 4.44Å; M268-L272 VanDerWaalsContact O-CB 3.28Å; M268-L272 WeakPolarHBondContact O-CB 3.47Å; M268-L272 WeakPolarHBondContact O-CG 3.37Å; M268-L272 PolarHBondContact O-N 2.71Å; L272-P274 VanDerWaalsContact O-CD 3.26Å; L272-P274 WeakPolarHBondContact O-CD 3.38Å
273	D	96.9	Very high	98	Very high	45 Å²	45	29.6 Å²	29.6	24%	0.241	16%	0.161	C	C	.	.			trans	-90.3	106	177.7	-172.3	-19.6	0	0	0	110.5	R215 R269 S275 L276	R215-D273 PolarHBondContact NH1-O 2.85Å; R269-D273 VanDerWaalsContact O-CB 3.31Å; R269-D273 WeakPolarHBondContact O-CB 3.38Å; R269-D273 PolarHBondContact O-N 3.24Å; R269-D273 VanDerWaalsContact O-N 3.12Å; D273-S275 PolarHBondContact O-N 3.21Å; D273-S275 VanDerWaalsContact OD1-CB 3.29Å; D273-S275 WeakPolarHBondContact OD1-CB 3.32Å; D273-S275 PolarHBondContact OD1-N 2.6Å; D273-S275 PolarHBondContact OD1-OG 3.4Å; D273-S275 PolarHBondContact OD2-OG 3.07Å; D273-L276 HydrophobicContact CB-CD1 3.77Å; D273-L276 HydrophobicContact CB-CG 3.95Å; D273-L276 PolarHBondContact O-N 3.28Å
274	P	94.9	Very high	98	Very high	65 Å²	65	30.7 Å²	30.7	42%	0.422	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.4	-177.8	31.1	-36.2	0	0	0	113.2	R215 L272 L276	R215-P274 WeakPolarHBondContact CD-O 3.39Å; L272-P274 VanDerWaalsContact O-CD 3.26Å; L272-P274 WeakPolarHBondContact O-CD 3.38Å; P274-L276 VanDerWaalsContact C-N 3.29Å; P274-L276 PolarHBondContact O-N 2.95Å
275	S	95.8	Very high	97.9	Very high	93 Å²	93	33.7 Å²	33.7	65%	0.65	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-15.2	179.9	74.4	0	0	0	0	113.3	D273 N277	D273-S275 PolarHBondContact O-N 3.21Å; D273-S275 VanDerWaalsContact OD1-CB 3.29Å; D273-S275 WeakPolarHBondContact OD1-CB 3.32Å; D273-S275 PolarHBondContact OD1-N 2.6Å; D273-S275 PolarHBondContact OD1-OG 3.4Å; D273-S275 PolarHBondContact OD2-OG 3.07Å; S275-N277 PolarHBondContact O-N 3.33Å
276	L	97.4	Very high	97.8	Very high	26 Å²	26	34.3 Å²	34.3	14%	0.136	21%	0.208	C	C	.	.			trans	-87.7	112.1	-174.4	-60	179.2	0	0	0	111.6	R215 N217 L270 D273 P274 A279 F291	R215-L276 WeakPolarHBondContact CD-O 3.44Å; R215-L276 PolarHBondContact NH1-O 3.26Å; N217-L276 PolarHBondContact ND2-O 3.09Å; N217-L276 PolarHBondContact OD1-O 3.12Å; L270-L276 HydrophobicContact CD2-CD1 3.88Å; D273-L276 HydrophobicContact CB-CD1 3.77Å; D273-L276 HydrophobicContact CB-CG 3.95Å; D273-L276 PolarHBondContact O-N 3.28Å; P274-L276 VanDerWaalsContact C-N 3.29Å; P274-L276 PolarHBondContact O-N 2.95Å; L276-A279 HydrophobicContact CB-CB 4.14Å; L276-A279 HydrophobicContact CD2-CB 4.14Å; L276-F291 HydrophobicContact CD1-CE1 4.1Å; L276-F291 HydrophobicContact CD1-CZ 3.77Å; L276-F291 HydrophobicContact CD2-CE1 4.32Å; L276-F291 HydrophobicContact CD2-CZ 4.23Å
277	N	98.1	Very high	97.8	Very high	56 Å²	56	41.5 Å²	41.5	30%	0.299	24%	0.239	S	C	.	.	S	Bend	trans	-136.1	135.1	166.8	-173.5	41.8	0	0	0	109.3	A204 R215 I216 N217 S275 A279	A204-N277 WeakPolarHBondContact CB-OD1 3.41Å; A204-N277 PolarHBondContact O-ND2 2.89Å; R215-N277 WeakPolarHBondContact CA-OD1 3.41Å; R215-N277 HydrophobicContact CB-CB 4.47Å; R215-N277 HydrophobicContact CG-CB 4.38Å; I216-N277 PolarHBondContact N-OD1 2.82Å; N217-N277 WeakPolarHBondContact OD1-CA 3.29Å; N217-N277 PolarHBondContact OD1-N 3.35Å; S275-N277 PolarHBondContact O-N 3.33Å; N277-A279 PolarHBondContact O-N 3.23Å
278	G	98.1	Very high	97.7	Very high	16 Å²	16	42.6 Å²	42.6	17%	0.165	25%	0.25	C	C	.	.	S	Bend	trans	68.2	10.2	-174.3	0	0	0	0	0	113.9	I216 N217	I216-G278 WeakPolarHBondContact O-CA 3.5Å; I216-G278 PolarHBondContact O-N 2.92Å; N217-G278 PolarHBondContact OD1-N 3.21Å
279	A	98.4	Very high	97.7	Very high	15 Å²	15	43 Å²	43	12%	0.124	25%	0.252	C	S	.	.			trans	-69.1	135.5	-176.8	0	0	0	0	0	110.9	N217 V218 L270 L276 N277 F291	N217-A279 VanDerWaalsContact OD1-CB 3.24Å; N217-A279 WeakPolarHBondContact OD1-CB 2.83Å; N217-A279 PolarHBondContact OD1-N 3.48Å; V218-A279 PolarHBondContact N-O 3.17Å; L270-A279 HydrophobicContact CD2-CB 4.33Å; L276-A279 HydrophobicContact CB-CB 4.14Å; L276-A279 HydrophobicContact CD2-CB 4.14Å; N277-A279 PolarHBondContact O-N 3.23Å; A279-F291 HydrophobicContact CB-CD1 4.04Å; A279-F291 HydrophobicContact CB-CE1 3.88Å
280	V	98.7	Very high	97.7	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	90.1	177.7	-176.5	0	0	0	0	108.9	F180 I197 R201 V218 F291 H292 Y294	F180-V280 HydrophobicContact CE2-CG1 4.26Å; F180-V280 HydrophobicContact CZ-CG1 3.73Å; I197-V280 HydrophobicContact CD1-CG1 4.45Å; I197-V280 HydrophobicContact CG2-CG2 4.3Å; R201-V280 HydrophobicContact CG-CG2 4.07Å; V218-V280 HydrophobicContact CG1-CB 3.87Å; V218-V280 HydrophobicContact CG1-CG1 3.83Å; V218-V280 HydrophobicContact CG1-CG2 3.58Å; V280-F291 CarbonylContact O-C 3.59Å; V280-F291 WeakPolarHBondContact O-CA 3.37Å; V280-H292 HydrophobicContact CB-CB 4.03Å; V280-H292 HydrophobicContact CG1-CB 3.89Å; V280-H292 PolarHBondContact O-N 3.37Å; V280-Y294 HydrophobicContact CB-CE2 4.48Å; V280-Y294 HydrophobicContact CG2-CE2 3.75Å
281	M	98.8	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.5	-179.1	-178.8	178.3	-75	0	0	110.4	V218 L219 C220 G266 R269 L270 I283 I289 H290 F291	V218-M281 PolarHBondContact O-N 3.14Å; L219-M281 CarbonylContact C-O 3.55Å; L219-M281 HydrophobicContact CD1-CB 4.06Å; L219-M281 HydrophobicContact CD1-CG 3.83Å; L219-M281 HydrophobicContact CD1-SD 3.49Å; L219-M281 WeakPolarHBondContact CD1-SD 3.21Å; C220-M281 WeakPolarHBondContact CA-O 3.39Å; C220-M281 VanDerWaalsContact CB-O 3.29Å; C220-M281 WeakPolarHBondContact CB-O 3.26Å; C220-M281 PolarHBondContact N-O 3.03Å; G266-M281 VanDerWaalsContact CA-SD 3.54Å; G266-M281 VanDerWaalsContact O-SD 3.38Å; R269-M281 HydrophobicContact CB-CE 4.11Å; L270-M281 HydrophobicContact CD1-CB 4.24Å; L270-M281 HydrophobicContact CD1-CE 4.46Å; L270-M281 HydrophobicContact CD1-SD 4.26Å; L270-M281 HydrophobicContact CD2-CB 4.19Å; L270-M281 HydrophobicContact CD2-CE 3.68Å; L270-M281 HydrophobicContact CD2-SD 4.47Å; L270-M281 HydrophobicContact CG-CB 4.47Å; L270-M281 HydrophobicContact CG-CE 3.65Å; L270-M281 HydrophobicContact CG-SD 4.04Å; M281-I283 HydrophobicContact CG-CG1 4.39Å; M281-I283 HydrophobicContact SD-CD1 4.44Å; M281-I289 HydrophobicContact CE-CG2 3.69Å; M281-I289 HydrophobicContact CG-CG2 4Å; M281-I289 HydrophobicContact SD-CG2 3.61Å; M281-H290 CarbonylContact C-O 3.45Å; M281-F291 HydrophobicContact CB-CD1 4.07Å; M281-F291 HydrophobicContact CB-CE1 3.89Å; M281-F291 HydrophobicContact CE-CE1 3.69Å; M281-F291 HydrophobicContact CE-CE2 4.29Å; M281-F291 HydrophobicContact CE-CZ 3.42Å; M281-F291 VanDerWaalsContact CE-CZ 3.42Å; M281-F291 HydrophobicContact CG-CE1 4.34Å
282	K	98.7	Very high	97.7	Very high	32 Å²	32	45.5 Å²	45.5	14%	0.139	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.2	172.5	-66	178.2	-71.3	159.8	0	109.8	M177 F180 C220 H290 H292	M177-K282 HydrophobicContact CE-CD 4.34Å; M177-K282 HydrophobicContact SD-CB 3.94Å; M177-K282 HydrophobicContact SD-CD 3.77Å; M177-K282 HydrophobicContact SD-CG 3.75Å; F180-K282 HydrophobicContact CD2-CD 4.25Å; F180-K282 HydrophobicContact CE2-CD 4.1Å; F180-K282 HydrophobicContact CE2-CG 4.09Å; F180-K282 HydrophobicContact CZ-CD 4.44Å; C220-K282 HydrophobicContact CB-CG 4.17Å; C220-K282 WeakPolarHBondContact O-CA 3.36Å; K282-H290 VanDerWaalsContact CB-CE1 3.43Å; K282-H290 WeakPolarHBondContact CB-CE1 3.24Å; K282-H290 VanDerWaalsContact CE-CD2 3.49Å; K282-H290 WeakPolarHBondContact CE-CD2 3.36Å; K282-H290 WeakPolarHBondContact CE-NE2 3.41Å; K282-H290 PolarHBondContact N-O 2.79Å; K282-H290 PolarHBondContact NZ-CD2 3.02Å; K282-H290 PolarHBondContact NZ-NE2 3.37Å; K282-H290 PolarHBondContact O-N 3.12Å; K282-H290 PolarHBondContact O-ND1 3.17Å; K282-H292 HydrophobicContact CD-CB 4.16Å
283	I	98.5	Very high	97.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	120	173	-50	-177.7	0	0	0	108.7	L219 C220 A222 L258 L262 I263 M281 G288 I289	L219-I283 HydrophobicContact CD1-CD1 3.79Å; L219-I283 HydrophobicContact CD1-CG1 4.24Å; C220-I283 PolarHBondContact O-N 2.77Å; C220-I283 VanDerWaalsContact O-N 3.11Å; A222-I283 WeakPolarHBondContact CB-O 3.24Å; A222-I283 PolarHBondContact N-O 2.81Å; L258-I283 HydrophobicContact CD1-CB 4.32Å; L258-I283 HydrophobicContact CD1-CG2 3.86Å; L258-I283 WeakPolarHBondContact CD1-O 3.32Å; L258-I283 HydrophobicContact CD2-CG2 4.5Å; L262-I283 HydrophobicContact CD2-CG2 4.15Å; L262-I283 HydrophobicContact CG-CG2 4.04Å; I263-I283 HydrophobicContact CD1-CB 4.06Å; I263-I283 HydrophobicContact CD1-CD1 4.05Å; I263-I283 HydrophobicContact CD1-CG2 3.91Å; M281-I283 HydrophobicContact CG-CG1 4.39Å; M281-I283 HydrophobicContact SD-CD1 4.44Å; I283-G288 WeakPolarHBondContact CA-O 3.42Å; I283-I289 HydrophobicContact CD1-CG1 3.91Å; I283-I289 HydrophobicContact CG1-CG1 4Å; I283-I289 HydrophobicContact CG2-CG1 4.36Å
284	T	98.1	Very high	97.2	Very high	23 Å²	23	50.8 Å²	50.8	14%	0.141	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154	-177.5	62.6	0	0	0	0	109.4	M177 A222 A286 K287 G288	M177-T284 HydrophobicContact CE-CG2 4.26Å; M177-T284 HydrophobicContact CG-CG2 4.15Å; M177-T284 HydrophobicContact SD-CG2 4.06Å; A222-T284 HydrophobicContact CB-CG2 4.24Å; T284-A286 PolarHBondContact O-N 3.4Å; T284-K287 PolarHBondContact O-N 2.85Å; T284-K287 PolarHBondContact OG1-N 2.99Å; T284-G288 PolarHBondContact N-O 3.38Å; T284-G288 VanDerWaalsContact O-CA 3.3Å; T284-G288 WeakPolarHBondContact O-CA 3.43Å; T284-G288 PolarHBondContact O-N 3.17Å
285	C	96.8	Very high	96.8	Very high	63 Å²	63	56.5 Å²	56.5	43%	0.426	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.8	176.2	-61.8	0	0	0	0	112.2	F255 L258	F255-C285 VanDerWaalsContact O-CB 3.31Å; F255-C285 WeakPolarHBondContact O-CB 3.49Å; L258-C285 HydrophobicContact CD2-CB 4.38Å; L258-C285 WeakPolarHBondContact CD2-SG 2.92Å
286	A	96.1	Very high	95.9	Very high	97 Å²	97	56.9 Å²	56.9	80%	0.802	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-34.8	-177.1	0	0	0	0	0	114.3	T284	T284-A286 PolarHBondContact O-N 3.4Å
287	K	97.4	Very high	94.7	Very high	151 Å²	151	65.4 Å²	65.4	66%	0.657	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	-3.5	-172.8	-66.2	-172.7	176.2	-174.3	0	114.5	T284	T284-K287 PolarHBondContact O-N 2.85Å; T284-K287 PolarHBondContact OG1-N 2.99Å
288	G	98.1	Very high	93.4	Very high	23 Å²	23	66.9 Å²	66.9	24%	0.237	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	56.2	-142.3	-168.3	0	0	0	0	0	111.3	I283 T284 H290	I283-G288 WeakPolarHBondContact CA-O 3.42Å; T284-G288 PolarHBondContact N-O 3.38Å; T284-G288 VanDerWaalsContact O-CA 3.3Å; T284-G288 WeakPolarHBondContact O-CA 3.43Å; T284-G288 PolarHBondContact O-N 3.17Å; G288-H290 PolarHBondContact O-ND1 2.83Å; G288-H290 VanDerWaalsContact O-ND1 3.08Å
289	I	98.4	Very high	91.4	Very high	27 Å²	27	74.4 Å²	74.4	14%	0.138	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	120.3	177.4	-61.5	163.6	0	0	0	109.9	L262 E265 M281 I283	L262-I289 HydrophobicContact CD1-CD1 4.15Å; L262-I289 HydrophobicContact CD1-CG1 4.33Å; E265-I289 HydrophobicContact CB-CD1 4.29Å; E265-I289 HydrophobicContact CG-CD1 4.13Å; M281-I289 HydrophobicContact CE-CG2 3.69Å; M281-I289 HydrophobicContact CG-CG2 4Å; M281-I289 HydrophobicContact SD-CG2 3.61Å; I283-I289 HydrophobicContact CD1-CG1 3.91Å; I283-I289 HydrophobicContact CG1-CG1 4Å; I283-I289 HydrophobicContact CG2-CG1 4.36Å
290	H	98.2	Very high	91	Very high	35 Å²	35	77.4 Å²	77.4	16%	0.162	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	171.9	176.1	65	-70.1	0	0	0	110.3	M281 K282 G288	M281-H290 CarbonylContact C-O 3.45Å; K282-H290 VanDerWaalsContact CB-CE1 3.43Å; K282-H290 WeakPolarHBondContact CB-CE1 3.24Å; K282-H290 VanDerWaalsContact CE-CD2 3.49Å; K282-H290 WeakPolarHBondContact CE-CD2 3.36Å; K282-H290 WeakPolarHBondContact CE-NE2 3.41Å; K282-H290 PolarHBondContact N-O 2.79Å; K282-H290 PolarHBondContact NZ-CD2 3.02Å; K282-H290 PolarHBondContact NZ-NE2 3.37Å; K282-H290 PolarHBondContact O-N 3.12Å; K282-H290 PolarHBondContact O-ND1 3.17Å; G288-H290 PolarHBondContact O-ND1 2.83Å; G288-H290 VanDerWaalsContact O-ND1 3.08Å
291	F	98.2	Very high	90.6	Very high	86 Å²	86	81.2 Å²	81.2	38%	0.377	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	151.3	-179.4	-64.2	-87.3	0	0	0	111.8	L270 L276 A279 V280 M281	L270-F291 HydrophobicContact CD2-CE1 4.02Å; L276-F291 HydrophobicContact CD1-CE1 4.1Å; L276-F291 HydrophobicContact CD1-CZ 3.77Å; L276-F291 HydrophobicContact CD2-CE1 4.32Å; L276-F291 HydrophobicContact CD2-CZ 4.23Å; A279-F291 HydrophobicContact CB-CD1 4.04Å; A279-F291 HydrophobicContact CB-CE1 3.88Å; V280-F291 CarbonylContact O-C 3.59Å; V280-F291 WeakPolarHBondContact O-CA 3.37Å; M281-F291 HydrophobicContact CB-CD1 4.07Å; M281-F291 HydrophobicContact CB-CE1 3.89Å; M281-F291 HydrophobicContact CE-CE1 3.69Å; M281-F291 HydrophobicContact CE-CE2 4.29Å; M281-F291 HydrophobicContact CE-CZ 3.42Å; M281-F291 VanDerWaalsContact CE-CZ 3.42Å; M281-F291 HydrophobicContact CG-CE1 4.34Å
292	H	97.5	Very high	90.2	Very high	54 Å²	54	85.7 Å²	85.7	25%	0.25	50%	0.498	C	S	.	.			trans	-81.5	135.4	165.2	-179	78	0	0	0	109.3	F180 V280 K282 Y294	F180-H292 AromaticContact CD1-ND1 3.98Å; F180-H292 HydrophobicContact CE1-CB 4.29Å; F180-H292 AromaticContact CE1-CD2 3.93Å; F180-H292 AromaticContact CE1-CE1 3.58Å; F180-H292 AromaticContact CE1-CG 3.62Å; F180-H292 AromaticContact CE1-ND1 3.38Å; F180-H292 WeakPolarHBondContact CE1-ND1 3.37Å; F180-H292 AromaticContact CE1-NE2 3.89Å; F180-H292 HydrophobicContact CZ-CB 4.05Å; F180-H292 AromaticContact CZ-CG 3.86Å; V280-H292 HydrophobicContact CB-CB 4.03Å; V280-H292 HydrophobicContact CG1-CB 3.89Å; V280-H292 PolarHBondContact O-N 3.37Å; K282-H292 HydrophobicContact CD-CB 4.16Å; H292-Y294 AromaticContact CD2-CD1 3.95Å; H292-Y294 AromaticContact CD2-CD2 3.76Å; H292-Y294 AromaticContact CD2-CE1 3.66Å; H292-Y294 AromaticContact CD2-CE2 3.47Å; H292-Y294 VanDerWaalsContact CD2-CE2 3.47Å; H292-Y294 WeakPolarHBondContact CD2-CE2 3.36Å; H292-Y294 AromaticContact CD2-CG 3.99Å; H292-Y294 AromaticContact CD2-CZ 3.4Å; H292-Y294 VanDerWaalsContact CD2-CZ 3.4Å; H292-Y294 AromaticContact NE2-CD1 3.59Å; H292-Y294 AromaticContact NE2-CE1 3.42Å; H292-Y294 WeakPolarHBondContact NE2-CE1 3.45Å; H292-Y294 AromaticContact NE2-CZ 3.69Å
293	T	93.8	Very high	89.7	Confident	123 Å²	123	88.9 Å²	88.9	76%	0.755	52%	0.519	S	S	*	.			trans	-107.7	122.2	175.2	-52.9	0	0	0	0	107.7
294	Y	90.6	Very high	89.1	Confident	78 Å²	78	94.4 Å²	94.4	31%	0.306	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-80.8	142.8	169.3	-69.6	-80.6	0	0	0	109.5	I197 R201 V280 H292	I197-Y294 WeakPolarHBondContact CG2-OH 3.36Å; R201-Y294 VanDerWaalsContact CD-CE2 3.4Å; R201-Y294 WeakPolarHBondContact CD-OH 3.45Å; R201-Y294 VanDerWaalsContact CZ-CZ 3.49Å; R201-Y294 VanDerWaalsContact NH1-CD1 3.3Å; R201-Y294 VanDerWaalsContact NH1-CE2 3.29Å; V280-Y294 HydrophobicContact CB-CE2 4.48Å; V280-Y294 HydrophobicContact CG2-CE2 3.75Å; H292-Y294 AromaticContact CD2-CD1 3.95Å; H292-Y294 AromaticContact CD2-CD2 3.76Å; H292-Y294 AromaticContact CD2-CE1 3.66Å; H292-Y294 AromaticContact CD2-CE2 3.47Å; H292-Y294 VanDerWaalsContact CD2-CE2 3.47Å; H292-Y294 WeakPolarHBondContact CD2-CE2 3.36Å; H292-Y294 AromaticContact CD2-CG 3.99Å; H292-Y294 AromaticContact CD2-CZ 3.4Å; H292-Y294 VanDerWaalsContact CD2-CZ 3.4Å; H292-Y294 AromaticContact NE2-CD1 3.59Å; H292-Y294 AromaticContact NE2-CE1 3.42Å; H292-Y294 WeakPolarHBondContact NE2-CE1 3.45Å; H292-Y294 AromaticContact NE2-CZ 3.69Å
295	E	87.7	Confident	88.5	Confident	184 Å²	184	99.2 Å²	99.2	86%	0.86	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-59.3	132.7	171.1	-67.7	179.5	177.8	0	0	109.3
296	P	77.1	Confident	87.9	Confident	102 Å²	102	101.8 Å²	101.8	66%	0.662	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-61.6	139.6	174.2	25.4	-31	0	0	0	109.2	S298	P296-S298 PolarHBondContact O-N 2.71Å
297	M	72	Confident	87.3	Confident	204 Å²	204	102.2 Å²	102.2	100%	1.005	57%	0.573	S	S	*	*	S	Bend	trans	-70.1	-16.2	176.7	-70	-170.9	-69.3	0	0	112.7
298	S	70.2	Confident	86.5	Confident	87 Å²	87	98.1 Å²	98.1	61%	0.608	57%	0.567	S	S	*	*			trans	-95.2	133.5	173.3	58.3	0	0	0	0	111	P296	P296-S298 PolarHBondContact O-N 2.71Å
299	A	55.8	Low	85.4	Confident	174 Å²	174	104.9 Å²	104.9	100%	1.438	60%	0.597	S	S	*	*			trans	-65.4	0	171	0	0	0	0	0	112.8

Retrieved 299 of 299 residues in 60.1 ms (Link to these results)

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