G4V9V5_SCHMA Loading...

Endonuclease III homolog

Bifunctional DNA N-glycosylase with associated apurinic/apyrimidinic (AP) lyase function that catalyzes the first step in base excision repair (BER), the primary repair pathway for the repair of oxidative DNA damage. The DNA N-glycosylase activity releases the damaged DNA base from DNA by cleaving the N-glycosidic bond, leaving an AP site. The AP lyase activity cleaves the phosphodiester bond 3' to the AP site by a beta-elimination. Primarily recognizes and repairs oxidative base damage of pyrimidines.

AlphaFold DB , UniProt , Accession G4V9V5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene NTH1, Length 260 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	35.6	Very low	233 Å²	233	172.1 Å²	172.1	100%	1.148	84%	0.838	S	S	*	*				0	133.2	0	-96.1	-179.8	169.3	0	0	109.2
2	T	35	Very low	35.5	Very low	122 Å²	122	163.6 Å²	163.6	75%	0.748	83%	0.828	S	S	*	*			trans	63.9	137.4	160	43.7	0	0	0	0	117.6
3	K	36.5	Very low	35.1	Very low	167 Å²	167	161.1 Å²	161.1	73%	0.726	83%	0.826	S	S	*	*			cis	-172.3	156.3	22.9	-123.5	166.5	-174.2	175	0	109.7
4	R	36.2	Very low	35	Very low	216 Å²	216	154.3 Å²	154.3	82%	0.815	82%	0.815	S	S	*	*			trans	71.3	122.6	148.6	-76.6	176	168.4	175	-5.9	118.1
5	V	32.4	Very low	35.1	Very low	133 Å²	133	153.3 Å²	153.3	81%	0.806	81%	0.811	S	S	*	*			cis	103.9	137.9	45.7	161.5	0	0	0	0	111.3
6	R	36.2	Very low	35.2	Very low	228 Å²	228	153.2 Å²	153.2	86%	0.86	81%	0.809	S	S	*	*			trans	88.7	144.8	170.8	-85.4	-174.1	167.2	171.3	-5.7	117.1
7	S	35.2	Very low	35.3	Very low	86 Å²	86	155.1 Å²	155.1	60%	0.601	81%	0.812	S	S	*	*			cis	177.2	135.3	-30.2	44.2	0	0	0	0	106.1
8	Q	32	Very low	35.6	Very low	177 Å²	177	154.6 Å²	154.6	83%	0.827	81%	0.81	S	S	*	*			trans	48.6	112.9	151.8	-67.8	-179.3	-17.1	0	0	119.9
9	E	40.3	Very low	35.8	Very low	197 Å²	197	150.3 Å²	150.3	92%	0.921	81%	0.808	S	S	*	*			trans	-133.6	120.8	138.4	-86.3	-179.6	146.6	0	0	108.9
10	Q	30.3	Very low	36.1	Very low	186 Å²	186	149.5 Å²	149.5	87%	0.869	81%	0.808	S	S	*	*			trans	-90.1	130.4	167.7	-71.9	-179.2	-17	0	0	108
11	V	37.6	Very low	36.5	Very low	148 Å²	148	147.4 Å²	147.4	90%	0.897	81%	0.805	S	S	*	*			trans	-145.4	127.5	160.5	-178.1	0	0	0	0	109.9
12	G	35.1	Very low	36.7	Very low	70 Å²	70	144.2 Å²	144.2	72%	0.722	79%	0.787	S	S	*	*			trans	105.2	82.7	139.3	0	0	0	0	0	117.2	G14	G12-G14 PolarHBondContact O-N 3.1Å
13	V	30.3	Very low	37.4	Very low	131 Å²	131	143.6 Å²	143.6	79%	0.794	79%	0.785	S	S	*	*			trans	-63.5	118.8	157.5	175.6	0	0	0	0	108.3
14	G	32.9	Very low	38.1	Very low	66 Å²	66	144.4 Å²	144.4	68%	0.68	79%	0.794	S	S	*	*			trans	-109.6	103.9	164.5	0	0	0	0	0	107.9	G12 I16	G12-G14 PolarHBondContact O-N 3.1Å; G14-I16 PolarHBondContact O-N 3Å
15	D	36.5	Very low	38.9	Very low	140 Å²	140	143.3 Å²	143.3	75%	0.749	80%	0.795	S	S	*	*			trans	-65.8	112.6	172.4	-66.2	-45.3	0	0	0	108.3	E17	D15-E17 PolarHBondContact O-N 2.99Å; D15-E17 VanDerWaalsContact O-N 3.16Å
16	I	36.9	Very low	40.9	Very low	151 Å²	151	148.2 Å²	148.2	77%	0.774	80%	0.799	S	S	*	*			trans	-76.3	98.9	171.3	-62.8	170.9	0	0	0	105.3	G14 D18	G14-I16 PolarHBondContact O-N 3Å; I16-D18 PolarHBondContact O-N 3.06Å
17	E	38.2	Very low	43.2	Very low	186 Å²	186	143.4 Å²	143.4	87%	0.869	78%	0.784	S	S	*	*			trans	-62	106.2	169.6	-71.6	-174.2	163.3	0	0	108.6	D15 G19	D15-E17 PolarHBondContact O-N 2.99Å; D15-E17 VanDerWaalsContact O-N 3.16Å; E17-G19 PolarHBondContact O-N 2.81Å
18	D	39.7	Very low	46	Very low	145 Å²	145	144 Å²	144	78%	0.775	77%	0.773	S	S	*	*			trans	-57.8	99.6	168.8	-75.4	-42.6	0	0	0	108.9	I16 V20	I16-D18 PolarHBondContact O-N 3.06Å; D18-V20 VanDerWaalsContact C-N 3.34Å; D18-V20 PolarHBondContact O-N 3.13Å
19	G	40.4	Very low	49	Very low	74 Å²	74	139.3 Å²	139.3	76%	0.763	75%	0.751	S	S	*	*			trans	-59.4	95.9	171.1	0	0	0	0	0	109.8	E17 S21	E17-G19 PolarHBondContact O-N 2.81Å; G19-S21 VanDerWaalsContact C-N 3.33Å; G19-S21 PolarHBondContact O-N 3.43Å
20	V	41.7	Very low	51.7	Low	134 Å²	134	130.3 Å²	130.3	81%	0.812	71%	0.71	S	S	*	*			trans	-62.3	98.3	167.2	-179.7	0	0	0	0	106.6	D18 E22	D18-V20 VanDerWaalsContact C-N 3.34Å; D18-V20 PolarHBondContact O-N 3.13Å; V20-E22 PolarHBondContact O-N 3.16Å
21	S	44.8	Very low	54.7	Low	106 Å²	106	128.3 Å²	128.3	74%	0.741	71%	0.705	S	S	*	*			trans	-57.5	108.7	173	58.4	0	0	0	0	108.3	G19	G19-S21 VanDerWaalsContact C-N 3.33Å; G19-S21 PolarHBondContact O-N 3.43Å
22	E	43.3	Very low	57.5	Low	165 Å²	165	124.4 Å²	124.4	77%	0.771	68%	0.679	S	S	*	*			trans	-54	129	177.3	-142.4	178.8	-175.1	0	0	108.7	V20 M24	V20-E22 PolarHBondContact O-N 3.16Å; E22-M24 PolarHBondContact O-N 2.81Å
23	P	48.8	Very low	60.5	Low	109 Å²	109	121.6 Å²	121.6	71%	0.708	65%	0.646	S	S	*	*			trans	-61.3	118.8	-174.4	20.8	-30.2	0	0	0	109.3	K25	P23-K25 PolarHBondContact O-N 3.2Å
24	M	51.5	Low	63.8	Low	185 Å²	185	121.9 Å²	121.9	91%	0.911	63%	0.633	S	S	*	*			trans	-45.1	107.3	178	-78.8	178.9	69.8	0	0	109.2	E22 R26	E22-M24 PolarHBondContact O-N 2.81Å; M24-R26 PolarHBondContact O-N 3.49Å
25	K	53.7	Low	66.9	Low	193 Å²	193	122.2 Å²	122.2	84%	0.839	62%	0.622	S	S	*	*			trans	-51.9	113.7	177.9	-77.5	176.4	178.8	166.1	0	107.8	P23 K27	P23-K25 PolarHBondContact O-N 3.2Å; K25-K27 PolarHBondContact O-N 3.01Å
26	R	72.9	Confident	69.8	Low	235 Å²	235	115.7 Å²	115.7	89%	0.887	59%	0.587	S	S	*	*			trans	-59.4	115.5	179.1	-173.9	178.8	-91	-176	-6.1	107.6	M24 W28	M24-R26 PolarHBondContact O-N 3.49Å; R26-W28 PolarHBondContact O-N 3.14Å
27	K	84.8	Confident	72.8	Confident	127 Å²	127	108.6 Å²	108.6	55%	0.552	55%	0.55	S	S	*	*			trans	-51.3	133.2	177.7	-158.3	179.9	-152.3	-146.9	0	108.9	K25 E29 E209	K25-K27 PolarHBondContact O-N 3.01Å; K27-E29 PolarHBondContact O-N 3.33Å; K27-E209 WeakPolarHBondContact CE-O 3.04Å; K27-E209 PolarHBondContact NZ-O 3.01Å
28	W	94.3	Very high	75.7	Confident	99 Å²	99	102.9 Å²	102.9	38%	0.375	53%	0.531	S	S	.	.			trans	-59.2	136.2	175.6	174.8	87.2	0	0	0	109.5	R26 P30 K194 W210	R26-W28 PolarHBondContact O-N 3.14Å; W28-P30 HydrophobicContact CH2-CB 4.22Å; W28-P30 HydrophobicContact CH2-CG 3.67Å; W28-P30 HydrophobicContact CZ2-CG 4.4Å; W28-P30 HydrophobicContact CZ3-CG 3.92Å; W28-K194 HydrophobicContact CD2-CD 4.27Å; W28-K194 HydrophobicContact CD2-CG 3.58Å; W28-K194 HydrophobicContact CE3-CD 4.34Å; W28-K194 HydrophobicContact CE3-CG 3.62Å; W28-K194 HydrophobicContact CG-CG 4.25Å; W28-K194 HydrophobicContact CH2-CB 4.44Å; W28-K194 HydrophobicContact CH2-CG 3.84Å; W28-K194 HydrophobicContact CZ2-CB 4.42Å; W28-K194 HydrophobicContact CZ2-CG 3.81Å; W28-K194 HydrophobicContact CZ3-CG 3.75Å; W28-W210 HydrophobicContact CE3-CB 4.33Å; W28-W210 AromaticContact CE3-CD1 3.83Å; W28-W210 AromaticContact CE3-CG 3.99Å; W28-W210 HydrophobicContact CE3-CG 3.99Å; W28-W210 AromaticContact CZ3-CD1 3.51Å; W28-W210 HydrophobicContact CZ3-CD2 4.4Å; W28-W210 AromaticContact CZ3-CG 3.99Å; W28-W210 HydrophobicContact CZ3-CG 3.99Å; W28-W210 AromaticContact CZ3-NE1 3.62Å; W28-W210 WeakPolarHBondContact O-CB 3Å
29	E	96	Very high	78.5	Confident	79 Å²	79	97.6 Å²	97.6	37%	0.369	50%	0.503	S	S	.	.			trans	-139.6	147.3	172.4	60.6	178.3	-160.3	0	0	110.3	K27 W33 R34 W210	K27-E29 PolarHBondContact O-N 3.33Å; E29-W33 PolarHBondContact OE2-NE1 2.98Å; E29-R34 IonicContact OE1-CZ 3.03Å; E29-R34 IonicContact OE1-NH1 3.06Å; E29-R34 PolarHBondContact OE1-NH1 3.24Å; E29-R34 IonicContact OE1-NH2 3.12Å; E29-R34 IonicContact OE2-CZ 3.65Å; E29-R34 VanDerWaalsContact OE2-CZ 3.3Å; E29-R34 IonicContact OE2-NH1 2.76Å; E29-R34 PolarHBondContact OE2-NH1 2.92Å; E29-R34 IonicContact OE2-NH2 2.63Å; E29-R34 PolarHBondContact OE2-NH2 2.83Å; E29-W210 HydrophobicContact CB-CE3 4.06Å
30	P	96.3	Very high	81.3	Confident	8 Å²	8	94 Å²	94	5%	0.052	47%	0.466	C	S	.	.			trans	-66	146.1	178.1	-13.1	24.3	0	0	0	112.1	W28 N32 W33 W192 W210	W28-P30 HydrophobicContact CH2-CB 4.22Å; W28-P30 HydrophobicContact CH2-CG 3.67Å; W28-P30 HydrophobicContact CZ2-CG 4.4Å; W28-P30 HydrophobicContact CZ3-CG 3.92Å; P30-N32 PolarHBondContact O-N 3.07Å; P30-W33 HydrophobicContact CB-CB 4.19Å; P30-W33 HydrophobicContact CG-CB 4.28Å; P30-W33 PolarHBondContact O-N 3.31Å; P30-W192 HydrophobicContact CG-CB 4.25Å; P30-W192 HydrophobicContact CG-CG 4.22Å; P30-W210 VanDerWaalsContact CD-CD2 3.49Å; P30-W210 VanDerWaalsContact CD-CE2 3.5Å; P30-W210 VanDerWaalsContact CD-CE3 3.45Å; P30-W210 VanDerWaalsContact CD-CH2 3.48Å; P30-W210 VanDerWaalsContact CD-CZ3 3.45Å; P30-W210 HydrophobicContact CG-CD2 4.18Å; P30-W210 HydrophobicContact CG-CE3 4.38Å; P30-W210 HydrophobicContact CG-CH2 3.6Å; P30-W210 HydrophobicContact CG-CZ2 3.35Å; P30-W210 HydrophobicContact CG-CZ3 4.12Å
31	L	93.8	Very high	84	Confident	144 Å²	144	91.9 Å²	91.9	75%	0.754	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	138.2	174.4	-173	66.1	0	0	0	110.9	W33	L31-W33 PolarHBondContact O-N 2.92Å; L31-W33 VanDerWaalsContact O-N 3.11Å
32	N	96.7	Very high	86.5	Confident	66 Å²	66	93.5 Å²	93.5	35%	0.353	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	9.3	177.6	-56	-38	0	0	0	115.9	P30 R34 V35 Q36 I246	P30-N32 PolarHBondContact O-N 3.07Å; N32-R34 PolarHBondContact O-N 3.18Å; N32-R34 VanDerWaalsContact O-N 3.12Å; N32-V35 PolarHBondContact O-N 2.84Å; N32-Q36 HydrophobicContact CB-CG 4.34Å; N32-Q36 WeakPolarHBondContact O-CB 3.17Å; N32-Q36 WeakPolarHBondContact O-CG 3.19Å; N32-Q36 PolarHBondContact O-N 3Å; N32-I246 HydrophobicContact CB-CD1 4.34Å
33	W	97.8	Very high	89.2	Confident	10 Å²	10	86.9 Å²	86.9	4%	0.038	41%	0.407	C	S	.	.	H	α-helix	trans	-54.4	-38.5	-175	79.9	-101.5	0	0	0	112.6	E29 P30 L31 Q36 L37 W210 F211 P212	E29-W33 PolarHBondContact OE2-NE1 2.98Å; P30-W33 HydrophobicContact CB-CB 4.19Å; P30-W33 HydrophobicContact CG-CB 4.28Å; P30-W33 PolarHBondContact O-N 3.31Å; L31-W33 PolarHBondContact O-N 2.92Å; L31-W33 VanDerWaalsContact O-N 3.11Å; W33-Q36 PolarHBondContact O-N 2.93Å; W33-L37 HydrophobicContact CE3-CD2 4.39Å; W33-L37 HydrophobicContact CZ3-CD2 3.85Å; W33-L37 WeakPolarHBondContact O-CB 3.37Å; W33-L37 PolarHBondContact O-N 3.25Å; W33-W210 HydrophobicContact CB-CH2 3.87Å; W33-W210 HydrophobicContact CB-CZ3 4.07Å; W33-W210 AromaticContact CD1-CZ3 3.8Å; W33-W210 HydrophobicContact CD2-CH2 4.06Å; W33-W210 AromaticContact CD2-CZ3 3.54Å; W33-W210 HydrophobicContact CD2-CZ3 3.54Å; W33-W210 AromaticContact CE2-CZ3 3.81Å; W33-W210 HydrophobicContact CE3-CH2 4.32Å; W33-W210 HydrophobicContact CE3-CZ3 4.02Å; W33-W210 AromaticContact CG-CH2 3.88Å; W33-W210 HydrophobicContact CG-CH2 3.88Å; W33-W210 AromaticContact CG-CZ3 3.56Å; W33-W210 HydrophobicContact CG-CZ3 3.56Å; W33-W210 AromaticContact NE1-CZ3 3.93Å; W33-F211 HydrophobicContact CE3-CD2 4.45Å; W33-F211 HydrophobicContact CE3-CE2 4.12Å; W33-F211 HydrophobicContact CZ3-CD2 4.42Å; W33-F211 AromaticContact CZ3-CE2 3.98Å; W33-F211 HydrophobicContact CZ3-CE2 3.98Å; W33-P212 HydrophobicContact CH2-CG 3.55Å; W33-P212 HydrophobicContact CZ2-CG 3.83Å; W33-P212 HydrophobicContact CZ3-CG 4.45Å
34	R	98	Very high	91.5	Very high	137 Å²	137	81.8 Å²	81.8	52%	0.517	37%	0.373	S	S	.	.	H	α-helix	trans	-63.3	-48.4	177.7	-67.1	-172.5	-179.3	74.4	7.5	112.4	E29 N32 Q36 L37 S38	E29-R34 IonicContact OE1-CZ 3.03Å; E29-R34 IonicContact OE1-NH1 3.06Å; E29-R34 PolarHBondContact OE1-NH1 3.24Å; E29-R34 IonicContact OE1-NH2 3.12Å; E29-R34 IonicContact OE2-CZ 3.65Å; E29-R34 VanDerWaalsContact OE2-CZ 3.3Å; E29-R34 IonicContact OE2-NH1 2.76Å; E29-R34 PolarHBondContact OE2-NH1 2.92Å; E29-R34 IonicContact OE2-NH2 2.63Å; E29-R34 PolarHBondContact OE2-NH2 2.83Å; N32-R34 PolarHBondContact O-N 3.18Å; N32-R34 VanDerWaalsContact O-N 3.12Å; R34-Q36 VanDerWaalsContact C-N 3.31Å; R34-L37 PolarHBondContact O-N 3.18Å; R34-S38 WeakPolarHBondContact O-CB 3.49Å; R34-S38 PolarHBondContact O-N 3.08Å
35	V	98.5	Very high	93.7	Very high	74 Å²	74	80.5 Å²	80.5	45%	0.448	37%	0.365	S	S	.	.	H	α-helix	trans	-64.7	-41.1	177.6	-177.4	0	0	0	0	109.8	N32 S38 N39 I246	N32-V35 PolarHBondContact O-N 2.84Å; V35-S38 PolarHBondContact O-N 2.79Å; V35-N39 WeakPolarHBondContact O-CB 3.32Å; V35-N39 VanDerWaalsContact O-CG 3.29Å; V35-N39 PolarHBondContact O-N 3.05Å; V35-N39 PolarHBondContact O-ND2 2.75Å; V35-I246 HydrophobicContact CB-CD1 4.07Å; V35-I246 HydrophobicContact CG1-CD1 3.66Å
36	Q	98.7	Very high	95.8	Very high	2 Å²	2	75 Å²	75	1%	0.009	35%	0.351	C	S	.	.	H	α-helix	trans	-61.9	-45.6	177.9	-70.5	168.2	-12.2	0	0	112.3	N32 W33 R34 N39 I40 W192 N243 I246	N32-Q36 HydrophobicContact CB-CG 4.34Å; N32-Q36 WeakPolarHBondContact O-CB 3.17Å; N32-Q36 WeakPolarHBondContact O-CG 3.19Å; N32-Q36 PolarHBondContact O-N 3Å; W33-Q36 PolarHBondContact O-N 2.93Å; R34-Q36 VanDerWaalsContact C-N 3.31Å; Q36-N39 PolarHBondContact O-N 3.45Å; Q36-I40 WeakPolarHBondContact O-CD1 3.15Å; Q36-I40 VanDerWaalsContact O-CG1 3.22Å; Q36-I40 WeakPolarHBondContact O-CG1 3.29Å; Q36-I40 PolarHBondContact O-N 2.71Å; Q36-W192 HydrophobicContact CB-CZ2 4.22Å; Q36-N243 VanDerWaalsContact CA-OD1 3.31Å; Q36-N243 WeakPolarHBondContact CA-OD1 3.24Å; Q36-N243 PolarHBondContact O-ND2 3.22Å; Q36-N243 VanDerWaalsContact O-ND2 3.1Å; Q36-I246 HydrophobicContact CG-CD1 3.64Å; Q36-I246 HydrophobicContact CG-CG1 4.03Å; Q36-I246 PolarHBondContact NE2-O 3.07Å
37	L	98.6	Very high	97	Very high	2 Å²	2	69.6 Å²	69.6	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-64.2	-45.5	176.2	-179.6	61.6	0	0	0	111.3	W33 R34 N39 I40 R41 W192 F211 I219 L222	W33-L37 HydrophobicContact CE3-CD2 4.39Å; W33-L37 HydrophobicContact CZ3-CD2 3.85Å; W33-L37 WeakPolarHBondContact O-CB 3.37Å; W33-L37 PolarHBondContact O-N 3.25Å; R34-L37 PolarHBondContact O-N 3.18Å; L37-N39 VanDerWaalsContact C-N 3.34Å; L37-N39 PolarHBondContact O-N 2.86Å; L37-I40 PolarHBondContact O-N 3.27Å; L37-I40 VanDerWaalsContact O-N 3.15Å; L37-R41 WeakPolarHBondContact O-CG 3.3Å; L37-R41 PolarHBondContact O-N 3.23Å; L37-W192 HydrophobicContact CB-CH2 4.2Å; L37-W192 HydrophobicContact CB-CZ2 4.42Å; L37-W192 HydrophobicContact CD1-CH2 4.24Å; L37-F211 HydrophobicContact CD2-CE2 4.13Å; L37-F211 HydrophobicContact CD2-CZ 4.05Å; L37-I219 HydrophobicContact CD1-CD1 4.24Å; L37-L222 HydrophobicContact CD1-CD2 3.6Å
38	S	98.6	Very high	97.6	Very high	67 Å²	67	68 Å²	68	47%	0.469	33%	0.328	S	S	.	.	H	α-helix	trans	-58	-45.5	176.4	178.7	0	0	0	0	112.1	R34 V35 I40 R41 K42	R34-S38 WeakPolarHBondContact O-CB 3.49Å; R34-S38 PolarHBondContact O-N 3.08Å; V35-S38 PolarHBondContact O-N 2.79Å; S38-I40 VanDerWaalsContact C-N 3.34Å; S38-I40 PolarHBondContact O-N 2.98Å; S38-R41 WeakPolarHBondContact O-CB 3.1Å; S38-R41 PolarHBondContact O-N 3.44Å; S38-K42 PolarHBondContact O-N 3.09Å
39	N	98.8	Very high	97.7	Very high	33 Å²	33	63.4 Å²	63.4	18%	0.176	31%	0.311	C	S	.	.	H	α-helix	trans	-61.9	-40	175.1	-79.1	-14.9	0	0	0	112.6	V35 Q36 L37 K42 M43 L242 N243	V35-N39 WeakPolarHBondContact O-CB 3.32Å; V35-N39 VanDerWaalsContact O-CG 3.29Å; V35-N39 PolarHBondContact O-N 3.05Å; V35-N39 PolarHBondContact O-ND2 2.75Å; Q36-N39 PolarHBondContact O-N 3.45Å; L37-N39 VanDerWaalsContact C-N 3.34Å; L37-N39 PolarHBondContact O-N 2.86Å; N39-K42 PolarHBondContact O-N 3.12Å; N39-M43 WeakPolarHBondContact O-CE 3.43Å; N39-M43 WeakPolarHBondContact O-CG 3.49Å; N39-M43 PolarHBondContact O-N 3.37Å; N39-L242 HydrophobicContact CB-CB 3.82Å; N39-L242 PolarHBondContact ND2-O 2.92Å; N39-N243 WeakPolarHBondContact CB-OD1 3.31Å; N39-N243 PolarHBondContact ND2-OD1 2.69Å
40	I	98.8	Very high	97.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.4	-45	175.8	-67.8	162.4	0	0	0	110.4	Q36 L37 S38 K42 M43 R44 L190 L222 L223 F226 N243	Q36-I40 WeakPolarHBondContact O-CD1 3.15Å; Q36-I40 VanDerWaalsContact O-CG1 3.22Å; Q36-I40 WeakPolarHBondContact O-CG1 3.29Å; Q36-I40 PolarHBondContact O-N 2.71Å; L37-I40 PolarHBondContact O-N 3.27Å; L37-I40 VanDerWaalsContact O-N 3.15Å; S38-I40 VanDerWaalsContact C-N 3.34Å; S38-I40 PolarHBondContact O-N 2.98Å; I40-K42 VanDerWaalsContact C-N 3.3Å; I40-K42 PolarHBondContact O-N 2.86Å; I40-M43 HydrophobicContact CG1-CE 4.15Å; I40-M43 PolarHBondContact O-N 2.85Å; I40-R44 HydrophobicContact CG2-CG 4.28Å; I40-R44 WeakPolarHBondContact O-CB 3.39Å; I40-R44 VanDerWaalsContact O-CG 3.24Å; I40-R44 WeakPolarHBondContact O-CG 3.45Å; I40-R44 PolarHBondContact O-N 3.12Å; I40-L190 HydrophobicContact CD1-CD1 3.96Å; I40-L222 HydrophobicContact CG2-CD1 4Å; I40-L222 HydrophobicContact CG2-CD2 4Å; I40-L222 HydrophobicContact CG2-CG 3.72Å; I40-L223 HydrophobicContact CD1-CD2 3.87Å; I40-L223 HydrophobicContact CG2-CD2 4.13Å; I40-F226 HydrophobicContact CD1-CD1 4.25Å; I40-F226 HydrophobicContact CD1-CE1 4.16Å; I40-F226 HydrophobicContact CG1-CD1 4.17Å; I40-F226 HydrophobicContact CG1-CE1 4.08Å; I40-F226 HydrophobicContact CG1-CE2 4.49Å; I40-F226 HydrophobicContact CG1-CG 4.44Å; I40-F226 HydrophobicContact CG1-CZ 4.26Å; I40-F226 HydrophobicContact CG2-CB 4.03Å; I40-F226 HydrophobicContact CG2-CD1 4.31Å; I40-F226 HydrophobicContact CG2-CD2 4.44Å; I40-F226 HydrophobicContact CG2-CG 4.03Å; I40-N243 WeakPolarHBondContact CG1-ND2 3.49Å
41	R	98.7	Very high	97.8	Very high	88 Å²	88	61.5 Å²	61.5	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-56	-45.5	174.6	-73.4	178.3	179.4	149.9	0.2	111	L37 S38 R44 E45 H215 E218 L222	L37-R41 WeakPolarHBondContact O-CG 3.3Å; L37-R41 PolarHBondContact O-N 3.23Å; S38-R41 WeakPolarHBondContact O-CB 3.1Å; S38-R41 PolarHBondContact O-N 3.44Å; R41-R44 CarbonylContact O-C 3.37Å; R41-R44 PolarHBondContact O-N 3.42Å; R41-E45 PolarHBondContact O-N 3.4Å; R41-H215 PolarHBondContact NH2-CE1 3.49Å; R41-H215 PolarHBondContact NH2-ND1 3.4Å; R41-H215 VanDerWaalsContact NH2-ND1 3.14Å; R41-H215 PolarHBondContact NH2-NE2 2.88Å; R41-E218 IonicContact CZ-OE1 3.69Å; R41-E218 IonicContact CZ-OE2 3.28Å; R41-E218 IonicContact NE-OE1 2.61Å; R41-E218 PolarHBondContact NE-OE1 3.15Å; R41-E218 IonicContact NE-OE2 3.32Å; R41-E218 PolarHBondContact NE-OE2 3.01Å; R41-E218 VanDerWaalsContact NH2-CD 3.3Å; R41-E218 IonicContact NH2-OE1 3.81Å; R41-E218 PolarHBondContact NH2-OE1 2.9Å; R41-E218 IonicContact NH2-OE2 3.51Å; R41-E218 PolarHBondContact NH2-OE2 3.36Å; R41-L222 HydrophobicContact CG-CD1 4.39Å; R41-L222 HydrophobicContact CG-CD2 3.96Å
42	K	98.6	Very high	98	Very high	140 Å²	140	55.7 Å²	55.7	61%	0.609	28%	0.275	S	S	*	.	H	α-helix	trans	-61.4	-44.9	176.6	-175.2	163.3	-177.1	169.7	0	113	S38 N39 I40 R44 E45 L242	S38-K42 PolarHBondContact O-N 3.09Å; N39-K42 PolarHBondContact O-N 3.12Å; I40-K42 VanDerWaalsContact C-N 3.3Å; I40-K42 PolarHBondContact O-N 2.86Å; K42-R44 PolarHBondContact O-N 2.87Å; K42-E45 WeakPolarHBondContact O-CB 3.47Å; K42-E45 PolarHBondContact O-N 3.1Å; K42-L242 HydrophobicContact CB-CD1 4.15Å; K42-L242 HydrophobicContact CD-CD1 4.06Å; K42-L242 HydrophobicContact CG-CD1 4.05Å
43	M	98.5	Very high	98	Very high	26 Å²	26	56.6 Å²	56.6	13%	0.128	29%	0.287	C	S	.	.	H	α-helix	trans	-66.9	-14.5	175.3	-70.6	-179.2	-69.8	0	0	113.7	N39 I40 F226 I230 L242	N39-M43 WeakPolarHBondContact O-CE 3.43Å; N39-M43 WeakPolarHBondContact O-CG 3.49Å; N39-M43 PolarHBondContact O-N 3.37Å; I40-M43 HydrophobicContact CG1-CE 4.15Å; I40-M43 PolarHBondContact O-N 2.85Å; M43-F226 HydrophobicContact CE-CD2 4.16Å; M43-F226 HydrophobicContact CE-CE2 3.45Å; M43-F226 VanDerWaalsContact CE-CE2 3.45Å; M43-F226 HydrophobicContact CE-CZ 4.04Å; M43-F226 HydrophobicContact SD-CE2 4.05Å; M43-I230 HydrophobicContact CB-CD1 3.89Å; M43-I230 HydrophobicContact CG-CD1 4.06Å; M43-I230 HydrophobicContact SD-CD1 3.5Å; M43-I230 VanDerWaalsContact SD-CD1 3.5Å; M43-L242 HydrophobicContact CE-CB 4.16Å; M43-L242 HydrophobicContact CG-CB 4.33Å; M43-L242 HydrophobicContact CG-CD1 3.79Å; M43-L242 HydrophobicContact CG-CG 3.74Å; M43-L242 HydrophobicContact SD-CB 4.02Å; M43-L242 HydrophobicContact SD-CG 3.94Å; M43-L242 PolarHBondContact SD-N 3.25Å
44	R	98.2	Very high	97.9	Very high	3 Å²	3	58.3 Å²	58.3	1%	0.011	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	10.3	-177	-65.2	-63.6	-62.7	127.1	15.5	112.9	I40 R41 K42 S46 R47 D48 A49 D52 L222 F226	I40-R44 HydrophobicContact CG2-CG 4.28Å; I40-R44 WeakPolarHBondContact O-CB 3.39Å; I40-R44 VanDerWaalsContact O-CG 3.24Å; I40-R44 WeakPolarHBondContact O-CG 3.45Å; I40-R44 PolarHBondContact O-N 3.12Å; R41-R44 CarbonylContact O-C 3.37Å; R41-R44 PolarHBondContact O-N 3.42Å; K42-R44 PolarHBondContact O-N 2.87Å; R44-S46 VanDerWaalsContact C-N 3.26Å; R44-S46 PolarHBondContact O-N 3.16Å; R44-R47 PolarHBondContact O-N 3.43Å; R44-R47 VanDerWaalsContact O-N 3.16Å; R44-D48 IonicContact NH1-OD1 2.82Å; R44-D48 PolarHBondContact NH1-OD1 2.9Å; R44-D48 VanDerWaalsContact NH1-OD1 3.13Å; R44-A49 VanDerWaalsContact NH1-CB 3.32Å; R44-D52 IonicContact CZ-OD2 2.81Å; R44-D52 IonicContact NH1-OD2 3.13Å; R44-D52 IonicContact NH2-OD1 3.57Å; R44-D52 PolarHBondContact NH2-OD1 2.87Å; R44-D52 IonicContact NH2-OD2 3.99Å; R44-D52 PolarHBondContact NH2-OD2 3.25Å; R44-L222 HydrophobicContact CB-CD1 3.62Å; R44-L222 HydrophobicContact CG-CD1 3.89Å; R44-F226 HydrophobicContact CG-CB 4.24Å
45	E	98	Very high	97.8	Very high	158 Å²	158	51.9 Å²	51.9	74%	0.738	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.5	-177.2	-175.4	169.5	-145.6	0	0	112	R41 K42 R47	R41-E45 PolarHBondContact O-N 3.4Å; K42-E45 WeakPolarHBondContact O-CB 3.47Å; K42-E45 PolarHBondContact O-N 3.1Å; E45-R47 VanDerWaalsContact C-N 3.3Å; E45-R47 PolarHBondContact O-N 2.94Å
46	S	97.5	Very high	97.5	Very high	78 Å²	78	48.7 Å²	48.7	55%	0.545	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.8	178.7	53.6	0	0	0	0	114.9	R44 D48	R44-S46 VanDerWaalsContact C-N 3.26Å; R44-S46 PolarHBondContact O-N 3.16Å; S46-D48 VanDerWaalsContact C-N 3.28Å; S46-D48 PolarHBondContact O-N 3.49Å; S46-D48 PolarHBondContact OG-OD1 2.81Å; S46-D48 PolarHBondContact OG-OD2 3.05Å
47	R	96.7	Very high	97.1	Very high	120 Å²	120	50.2 Å²	50.2	45%	0.453	26%	0.26	S	S	.	.			trans	45.6	49.6	-175.9	-66.7	-171.5	176.6	-99.9	3.5	113.7	R44 E45 D52 W221	R44-R47 PolarHBondContact O-N 3.43Å; R44-R47 VanDerWaalsContact O-N 3.16Å; E45-R47 VanDerWaalsContact C-N 3.3Å; E45-R47 PolarHBondContact O-N 2.94Å; R47-D52 VanDerWaalsContact C-CG 3.46Å; R47-D52 WeakPolarHBondContact CA-OD2 3.35Å; R47-D52 HydrophobicContact CB-CB 4.13Å; R47-D52 VanDerWaalsContact O-CB 3.25Å; R47-D52 WeakPolarHBondContact O-CB 3.47Å; R47-W221 VanDerWaalsContact NH1-CH2 3.35Å; R47-W221 VanDerWaalsContact NH1-CZ3 3.31Å; R47-W221 VanDerWaalsContact NH2-CH2 3.29Å
48	D	97.5	Very high	96.8	Very high	94 Å²	94	56.7 Å²	56.7	50%	0.503	28%	0.284	S	S	.	.			trans	-108	16.2	-173.6	60.2	-0.7	0	0	0	114.3	R44 S46 D52 Q229	R44-D48 IonicContact NH1-OD1 2.82Å; R44-D48 PolarHBondContact NH1-OD1 2.9Å; R44-D48 VanDerWaalsContact NH1-OD1 3.13Å; S46-D48 VanDerWaalsContact C-N 3.28Å; S46-D48 PolarHBondContact O-N 3.49Å; S46-D48 PolarHBondContact OG-OD1 2.81Å; S46-D48 PolarHBondContact OG-OD2 3.05Å; D48-D52 PolarHBondContact N-OD2 3.29Å; D48-Q229 PolarHBondContact O-NE2 3.44Å; D48-Q229 PolarHBondContact OD1-NE2 3.29Å
49	A	97.7	Very high	96.7	Very high	3 Å²	3	54 Å²	54	3%	0.025	27%	0.265	C	S	.	.	S	Bend	trans	-87.4	155.9	174.5	0	0	0	0	0	110.7	R44 V51 D52 Q229	R44-A49 VanDerWaalsContact NH1-CB 3.32Å; A49-V51 HydrophobicContact CB-CG1 4.13Å; A49-V51 PolarHBondContact O-N 3.09Å; A49-V51 VanDerWaalsContact O-N 3.09Å; A49-D52 WeakPolarHBondContact CA-OD2 3.37Å; A49-D52 WeakPolarHBondContact CB-OD2 3.42Å; A49-D52 PolarHBondContact N-OD2 2.86Å; A49-D52 WeakPolarHBondContact O-CB 3.27Å; A49-D52 PolarHBondContact O-N 3.37Å; A49-Q229 HydrophobicContact CB-CG 4.11Å
50	P	97.5	Very high	96.6	Very high	33 Å²	33	53.1 Å²	53.1	21%	0.214	26%	0.262	C	S	.	.	H	α-helix	trans	-48.8	-37.3	173.6	-31.1	36.1	0	0	0	114.6	D52 S53 M54 G55 D85	P50-D52 PolarHBondContact O-N 3.22Å; P50-S53 PolarHBondContact O-N 3.22Å; P50-M54 HydrophobicContact CB-CE 4.06Å; P50-M54 CarbonylContact O-C 3.59Å; P50-M54 WeakPolarHBondContact O-CA 3.34Å; P50-M54 WeakPolarHBondContact O-CB 3.18Å; P50-M54 PolarHBondContact O-N 2.89Å; P50-G55 PolarHBondContact O-N 2.94Å; P50-D85 HydrophobicContact CB-CB 4.25Å
51	V	97.7	Very high	96.6	Very high	14 Å²	14	55.5 Å²	55.5	9%	0.085	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-26.2	178.9	70.4	0	0	0	0	113.6	A49 G55 D85 V224	A49-V51 HydrophobicContact CB-CG1 4.13Å; A49-V51 PolarHBondContact O-N 3.09Å; A49-V51 VanDerWaalsContact O-N 3.09Å; V51-G55 WeakPolarHBondContact O-CA 3.3Å; V51-G55 PolarHBondContact O-N 3.33Å; V51-D85 WeakPolarHBondContact CA-OD2 3.47Å; V51-D85 PolarHBondContact N-OD2 2.96Å; V51-V224 HydrophobicContact CB-CB 4.48Å; V51-V224 HydrophobicContact CB-CG1 3.76Å; V51-V224 HydrophobicContact CG1-CB 4.39Å; V51-V224 HydrophobicContact CG1-CG1 4.09Å; V51-V224 HydrophobicContact CG2-CB 4.21Å; V51-V224 HydrophobicContact CG2-CG1 3.72Å
52	D	97.3	Very high	96.4	Very high	22 Å²	22	58.2 Å²	58.2	12%	0.118	29%	0.291	C	S	.	.	H	α-helix	trans	-73.8	-34.6	-176	-58	-61.3	0	0	0	112.5	R44 R47 D48 A49 P50	R44-D52 IonicContact CZ-OD2 2.81Å; R44-D52 IonicContact NH1-OD2 3.13Å; R44-D52 IonicContact NH2-OD1 3.57Å; R44-D52 PolarHBondContact NH2-OD1 2.87Å; R44-D52 IonicContact NH2-OD2 3.99Å; R44-D52 PolarHBondContact NH2-OD2 3.25Å; R47-D52 VanDerWaalsContact C-CG 3.46Å; R47-D52 WeakPolarHBondContact CA-OD2 3.35Å; R47-D52 HydrophobicContact CB-CB 4.13Å; R47-D52 VanDerWaalsContact O-CB 3.25Å; R47-D52 WeakPolarHBondContact O-CB 3.47Å; D48-D52 PolarHBondContact N-OD2 3.29Å; A49-D52 WeakPolarHBondContact CA-OD2 3.37Å; A49-D52 WeakPolarHBondContact CB-OD2 3.42Å; A49-D52 PolarHBondContact N-OD2 2.86Å; A49-D52 WeakPolarHBondContact O-CB 3.27Å; A49-D52 PolarHBondContact O-N 3.37Å; P50-D52 PolarHBondContact O-N 3.22Å
53	S	96.2	Very high	96.4	Very high	84 Å²	84	57.7 Å²	57.7	59%	0.587	30%	0.299	S	S	*	.	H	α-helix	trans	-105.5	-29.9	-179.5	60.1	0	0	0	0	113.8	P50	P50-S53 PolarHBondContact O-N 3.22Å
54	M	96.4	Very high	96.3	Very high	47 Å²	47	60.1 Å²	60.1	23%	0.232	31%	0.31	C	S	.	.	H	α-helix	trans	-123.3	3.9	-173.2	-64.3	172.3	-71.8	0	0	113	P50 D85 Q86	P50-M54 HydrophobicContact CB-CE 4.06Å; P50-M54 CarbonylContact O-C 3.59Å; P50-M54 WeakPolarHBondContact O-CA 3.34Å; P50-M54 WeakPolarHBondContact O-CB 3.18Å; P50-M54 PolarHBondContact O-N 2.89Å; M54-D85 HydrophobicContact CB-CB 4.07Å; M54-Q86 HydrophobicContact CE-CG 3.77Å; M54-Q86 HydrophobicContact SD-CB 4.19Å; M54-Q86 HydrophobicContact SD-CG 3.71Å
55	G	94.5	Very high	96.3	Very high	2 Å²	2	65.4 Å²	65.4	2%	0.021	34%	0.335	C	S	.	.			trans	-61.7	142.6	176.2	0	0	0	0	0	111.4	P50 V51 E57 R58	P50-G55 PolarHBondContact O-N 2.94Å; V51-G55 WeakPolarHBondContact O-CA 3.3Å; V51-G55 PolarHBondContact O-N 3.33Å; G55-E57 PolarHBondContact O-N 3.18Å; G55-R58 WeakPolarHBondContact O-CB 3.44Å; G55-R58 PolarHBondContact O-N 3.11Å
56	C	92.4	Very high	96.3	Very high	7 Å²	7	61.3 Å²	61.3	5%	0.047	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-54.7	-27	-174.6	59.5	0	0	0	0	114.8	R58 S76	C56-R58 PolarHBondContact O-N 3.42Å; C56-S76 VanDerWaalsContact C-OG 3.24Å; C56-S76 WeakPolarHBondContact CA-OG 3.47Å; C56-S76 WeakPolarHBondContact CB-OG 3.33Å; C56-S76 WeakPolarHBondContact O-CB 3.22Å; C56-S76 PolarHBondContact O-OG 3.14Å
57	E	90.6	Very high	96.3	Very high	33 Å²	33	60.3 Å²	60.3	15%	0.154	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-70.8	-11.5	177.2	-61.5	174	-152.3	0	0	113.9	G55 L165 C169 N220	G55-E57 PolarHBondContact O-N 3.18Å; E57-L165 HydrophobicContact CG-CD1 4.4Å; E57-L165 VanDerWaalsContact OE1-CD1 3.27Å; E57-L165 WeakPolarHBondContact OE1-CD1 3.31Å; E57-L165 WeakPolarHBondContact OE1-CD2 3.33Å; E57-C169 VanDerWaalsContact CB-SG 3.59Å; E57-C169 VanDerWaalsContact CG-SG 3.55Å; E57-N220 PolarHBondContact OE1-OD1 2.88Å
58	R	92.2	Very high	96.4	Very high	138 Å²	138	55.5 Å²	55.5	52%	0.521	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-110.7	-5.7	-174.8	-56.6	-67.7	-173.1	177.5	-1.6	114	G55 C56	G55-R58 WeakPolarHBondContact O-CB 3.44Å; G55-R58 PolarHBondContact O-N 3.11Å; C56-R58 PolarHBondContact O-N 3.42Å
59	L	97.1	Very high	96.5	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.063	27%	0.273	C	S	.	.			trans	-87.2	-19.8	-167.1	-60.5	179.9	0	0	0	114.2	S76 T88 S89 M92 K96	L59-S76 WeakPolarHBondContact CD1-OG 3.49Å; L59-T88 HydrophobicContact CD1-CG2 3.88Å; L59-S89 WeakPolarHBondContact CD2-OG 3.28Å; L59-M92 HydrophobicContact CB-CB 4.17Å; L59-M92 HydrophobicContact CB-CG 4.11Å; L59-M92 HydrophobicContact CD1-CB 4.06Å; L59-M92 HydrophobicContact CD1-CG 3.75Å; L59-K96 PolarHBondContact O-NZ 2.61Å
60	A	97.6	Very high	96.5	Very high	13 Å²	13	53.7 Å²	53.7	11%	0.107	28%	0.278	C	S	.	.	S	Bend	trans	-71.4	143.8	178	0	0	0	0	0	111.1	F69 Q72 V73	A60-F69 HydrophobicContact CB-CD2 3.7Å; A60-F69 HydrophobicContact CB-CE2 3.66Å; A60-Q72 HydrophobicContact CB-CB 3.72Å; A60-V73 HydrophobicContact CB-CB 4.46Å; A60-V73 HydrophobicContact CB-CG2 3.51Å
61	D	97.2	Very high	96.6	Very high	51 Å²	51	52.4 Å²	52.4	27%	0.273	27%	0.269	S	S	.	.			trans	-86.5	112.3	178.8	-168.1	-24.9	0	0	0	110.3	T63 E64 F69 K96	D61-T63 PolarHBondContact O-N 2.96Å; D61-T63 WeakPolarHBondContact OD1-CB 3.34Å; D61-T63 PolarHBondContact OD1-N 3.31Å; D61-T63 PolarHBondContact OD1-OG1 3.29Å; D61-E64 HydrophobicContact CB-CG 3.8Å; D61-E64 WeakPolarHBondContact O-CB 3.44Å; D61-E64 PolarHBondContact O-N 3.39Å; D61-F69 WeakPolarHBondContact O-CD2 3.05Å; D61-K96 HydrophobicContact CB-CD 4.37Å
62	E	95.8	Very high	96.6	Very high	145 Å²	145	51.8 Å²	51.8	68%	0.678	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.9	-179.8	-67.4	-168	161.2	0	0	113.4	E64 F69 K172	E62-E64 VanDerWaalsContact C-N 3.34Å; E62-F69 HydrophobicContact CB-CE2 4.49Å; E62-F69 HydrophobicContact CG-CD2 4.03Å; E62-F69 HydrophobicContact CG-CE2 3.55Å; E62-F69 HydrophobicContact CG-CZ 4.22Å; E62-K172 IonicContact OE1-NZ 3.3Å
63	T	97	Very high	96.7	Very high	128 Å²	128	50.8 Å²	50.8	79%	0.785	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-14	177.2	72.5	0	0	0	0	113	D61	D61-T63 PolarHBondContact O-N 2.96Å; D61-T63 WeakPolarHBondContact OD1-CB 3.34Å; D61-T63 PolarHBondContact OD1-N 3.31Å; D61-T63 PolarHBondContact OD1-OG1 3.29Å
64	E	97.3	Very high	96.8	Very high	77 Å²	77	46.8 Å²	46.8	36%	0.36	23%	0.233	S	C	.	.	S	Bend	trans	-71.5	161.9	177.7	-75.9	-75.1	-178	0	0	112.6	D61 E62 T68	D61-E64 HydrophobicContact CB-CG 3.8Å; D61-E64 WeakPolarHBondContact O-CB 3.44Å; D61-E64 PolarHBondContact O-N 3.39Å; E62-E64 VanDerWaalsContact C-N 3.34Å; E64-T68 HydrophobicContact CB-CG2 3.9Å; E64-T68 HydrophobicContact CG-CG2 4.02Å
65	H	97.8	Very high	96.9	Very high	115 Å²	115	44.6 Å²	44.6	53%	0.532	22%	0.222	S	C	.	.			trans	-52.2	139.8	171.7	179.3	-91.4	0	0	0	110.7	K67 T68 F69	H65-K67 VanDerWaalsContact C-N 3.28Å; H65-K67 PolarHBondContact ND1-N 3.03Å; H65-K67 PolarHBondContact O-N 2.86Å; H65-T68 WeakPolarHBondContact O-CA 3.23Å; H65-T68 VanDerWaalsContact O-CB 3.3Å; H65-T68 WeakPolarHBondContact O-CB 3.41Å; H65-T68 PolarHBondContact O-N 3.26Å; H65-F69 PolarHBondContact O-N 2.87Å
66	P	98.1	Very high	97.1	Very high	72 Å²	72	44.5 Å²	44.5	47%	0.468	22%	0.221	S	C	.	.	H	α-helix	trans	-52	-39	-171.6	-31.8	35.8	0	0	0	115.4	F69 R70	P66-F69 PolarHBondContact O-N 3.27Å; P66-R70 WeakPolarHBondContact O-CG 3.45Å; P66-R70 PolarHBondContact O-N 2.78Å
67	K	98.4	Very high	97.4	Very high	56 Å²	56	44.1 Å²	44.1	24%	0.243	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-38.7	174.8	-65	-169.1	172.6	-176.2	0	112.7	H65 L71 N142 D144	H65-K67 VanDerWaalsContact C-N 3.28Å; H65-K67 PolarHBondContact ND1-N 3.03Å; H65-K67 PolarHBondContact O-N 2.86Å; K67-L71 WeakPolarHBondContact O-CB 3.23Å; K67-L71 PolarHBondContact O-N 3.16Å; K67-N142 PolarHBondContact NZ-ND2 3.34Å; K67-N142 PolarHBondContact NZ-O 3.43Å; K67-D144 HydrophobicContact CD-CB 4.01Å; K67-D144 HydrophobicContact CG-CB 4.16Å
68	T	98.5	Very high	97.8	Very high	19 Å²	19	42.9 Å²	42.9	12%	0.117	21%	0.213	C	C	.	.	H	α-helix	trans	-68	-45.1	176.8	-60.4	0	0	0	0	110.5	E64 H65 R70 L71 Q72 T101	E64-T68 HydrophobicContact CB-CG2 3.9Å; E64-T68 HydrophobicContact CG-CG2 4.02Å; H65-T68 WeakPolarHBondContact O-CA 3.23Å; H65-T68 VanDerWaalsContact O-CB 3.3Å; H65-T68 WeakPolarHBondContact O-CB 3.41Å; H65-T68 PolarHBondContact O-N 3.26Å; T68-R70 PolarHBondContact O-N 3.13Å; T68-L71 WeakPolarHBondContact O-CB 3.49Å; T68-L71 PolarHBondContact O-N 3.22Å; T68-Q72 HydrophobicContact CG2-CG 4.45Å; T68-Q72 WeakPolarHBondContact O-CG 3.41Å; T68-Q72 PolarHBondContact O-N 3.19Å; T68-T101 HydrophobicContact CG2-CG2 4.06Å
69	F	98.6	Very high	98.1	Very high	25 Å²	25	36.3 Å²	36.3	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-53.9	-51.4	173.3	166.8	-103.7	0	0	0	111.4	A60 D61 E62 H65 P66 L71 Q72 V73	A60-F69 HydrophobicContact CB-CD2 3.7Å; A60-F69 HydrophobicContact CB-CE2 3.66Å; D61-F69 WeakPolarHBondContact O-CD2 3.05Å; E62-F69 HydrophobicContact CB-CE2 4.49Å; E62-F69 HydrophobicContact CG-CD2 4.03Å; E62-F69 HydrophobicContact CG-CE2 3.55Å; E62-F69 HydrophobicContact CG-CZ 4.22Å; H65-F69 PolarHBondContact O-N 2.87Å; P66-F69 PolarHBondContact O-N 3.27Å; F69-L71 PolarHBondContact O-N 3.34Å; F69-Q72 PolarHBondContact O-N 3.39Å; F69-Q72 VanDerWaalsContact O-N 3.16Å; F69-V73 HydrophobicContact CE1-CG2 4.22Å; F69-V73 HydrophobicContact CE2-CG2 4.03Å; F69-V73 HydrophobicContact CZ-CG2 3.86Å; F69-V73 WeakPolarHBondContact O-CG2 3.24Å; F69-V73 PolarHBondContact O-N 3.2Å
70	R	98.7	Very high	98.1	Very high	34 Å²	34	36.5 Å²	36.5	13%	0.128	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-40.4	179.4	-70.2	-168.1	-75.1	-84.1	5.1	113.1	P66 T68 V73 L74 D144 I145 A170	P66-R70 WeakPolarHBondContact O-CG 3.45Å; P66-R70 PolarHBondContact O-N 2.78Å; T68-R70 PolarHBondContact O-N 3.13Å; R70-V73 WeakPolarHBondContact O-CB 3.33Å; R70-V73 PolarHBondContact O-N 2.98Å; R70-L74 PolarHBondContact O-N 3.04Å; R70-L74 VanDerWaalsContact O-N 3.09Å; R70-D144 IonicContact CZ-OD1 3.34Å; R70-D144 IonicContact CZ-OD2 2.61Å; R70-D144 IonicContact NE-OD1 3.25Å; R70-D144 PolarHBondContact NE-OD1 3.22Å; R70-D144 IonicContact NE-OD2 3.89Å; R70-D144 PolarHBondContact NE-OD2 3.24Å; R70-D144 IonicContact NH2-OD1 2.87Å; R70-D144 IonicContact NH2-OD2 2.66Å; R70-D144 PolarHBondContact NH2-OD2 3.37Å; R70-I145 HydrophobicContact CB-CD1 3.88Å; R70-I145 HydrophobicContact CB-CG1 3.98Å; R70-A170 HydrophobicContact CB-CB 4.04Å; R70-A170 HydrophobicContact CG-CB 3.77Å; R70-A170 WeakPolarHBondContact CG-O 3.35Å
71	L	98.8	Very high	97.9	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-47.3	172.6	177.3	68.2	0	0	0	111.1	K67 T68 F69 V73 L74 I75 L102 L105 L137	K67-L71 WeakPolarHBondContact O-CB 3.23Å; K67-L71 PolarHBondContact O-N 3.16Å; T68-L71 WeakPolarHBondContact O-CB 3.49Å; T68-L71 PolarHBondContact O-N 3.22Å; F69-L71 PolarHBondContact O-N 3.34Å; L71-V73 VanDerWaalsContact C-N 3.3Å; L71-V73 PolarHBondContact O-N 3.06Å; L71-L74 PolarHBondContact O-N 3.39Å; L71-L74 VanDerWaalsContact O-N 3.1Å; L71-I75 HydrophobicContact CD1-CD1 4.36Å; L71-I75 HydrophobicContact CD1-CG1 4.13Å; L71-I75 HydrophobicContact CG-CG1 4.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.21Å; L71-I75 PolarHBondContact O-N 2.93Å; L71-L102 HydrophobicContact CD1-CD1 4.3Å; L71-L102 HydrophobicContact CD2-CB 3.88Å; L71-L102 HydrophobicContact CD2-CD1 4.3Å; L71-L105 HydrophobicContact CD2-CD1 4.19Å; L71-L137 HydrophobicContact CD1-CD1 3.87Å
72	Q	98.8	Very high	97.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-38.2	179.3	-71.6	-179.4	15.2	0	0	112.2	A60 T68 F69 S76 M92 C100	A60-Q72 HydrophobicContact CB-CB 3.72Å; T68-Q72 HydrophobicContact CG2-CG 4.45Å; T68-Q72 WeakPolarHBondContact O-CG 3.41Å; T68-Q72 PolarHBondContact O-N 3.19Å; F69-Q72 PolarHBondContact O-N 3.39Å; F69-Q72 VanDerWaalsContact O-N 3.16Å; Q72-S76 WeakPolarHBondContact O-CB 3.38Å; Q72-S76 PolarHBondContact O-N 3.27Å; Q72-M92 HydrophobicContact CB-CE 4.13Å; Q72-C100 HydrophobicContact CG-CB 4.07Å
73	V	98.7	Very high	97.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-58.4	-49.7	171.7	171.9	0	0	0	0	110.6	A60 F69 R70 L71 S76 L77 C169 A170	A60-V73 HydrophobicContact CB-CB 4.46Å; A60-V73 HydrophobicContact CB-CG2 3.51Å; F69-V73 HydrophobicContact CE1-CG2 4.22Å; F69-V73 HydrophobicContact CE2-CG2 4.03Å; F69-V73 HydrophobicContact CZ-CG2 3.86Å; F69-V73 WeakPolarHBondContact O-CG2 3.24Å; F69-V73 PolarHBondContact O-N 3.2Å; R70-V73 WeakPolarHBondContact O-CB 3.33Å; R70-V73 PolarHBondContact O-N 2.98Å; L71-V73 VanDerWaalsContact C-N 3.3Å; L71-V73 PolarHBondContact O-N 3.06Å; V73-S76 WeakPolarHBondContact O-CB 3.47Å; V73-S76 PolarHBondContact O-N 2.87Å; V73-L77 HydrophobicContact CG1-CD1 3.91Å; V73-L77 WeakPolarHBondContact O-CG 3.49Å; V73-L77 PolarHBondContact O-N 3.07Å; V73-C169 HydrophobicContact CG1-CB 3.82Å; V73-C169 HydrophobicContact CG2-CB 4.44Å; V73-A170 HydrophobicContact CB-CB 4.11Å; V73-A170 HydrophobicContact CG1-CB 3.99Å; V73-A170 HydrophobicContact CG2-CB 4.37Å
74	L	98.8	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-46.2	-179.4	179.8	62	0	0	0	112.2	R70 L71 S76 L77 M78 T133 L137 I145 L152 L155 V158	R70-L74 PolarHBondContact O-N 3.04Å; R70-L74 VanDerWaalsContact O-N 3.09Å; L71-L74 PolarHBondContact O-N 3.39Å; L71-L74 VanDerWaalsContact O-N 3.1Å; L74-S76 VanDerWaalsContact C-N 3.34Å; L74-S76 PolarHBondContact O-N 3.43Å; L74-L77 WeakPolarHBondContact O-CB 3.37Å; L74-L77 PolarHBondContact O-N 3.42Å; L74-M78 HydrophobicContact CD1-CG 4.44Å; L74-M78 HydrophobicContact CD1-SD 4.49Å; L74-M78 HydrophobicContact CG-SD 4.14Å; L74-M78 VanDerWaalsContact O-CG 3.31Å; L74-M78 WeakPolarHBondContact O-CG 3.43Å; L74-M78 PolarHBondContact O-N 2.94Å; L74-T133 HydrophobicContact CD2-CG2 3.94Å; L74-L137 HydrophobicContact CD2-CD1 4.48Å; L74-I145 HydrophobicContact CB-CG2 4.04Å; L74-I145 HydrophobicContact CD2-CB 4.22Å; L74-I145 HydrophobicContact CD2-CG2 3.59Å; L74-I145 HydrophobicContact CG-CG2 4.46Å; L74-L152 HydrophobicContact CD1-CD2 4.37Å; L74-L155 HydrophobicContact CD2-CD1 3.73Å; L74-V158 HydrophobicContact CD1-CG2 4.02Å
75	I	98.7	Very high	97.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.6	-44.5	178.2	-62.8	-59.7	0	0	0	110.8	L71 L77 M78 L79 M92 L95 L105 I130	L71-I75 HydrophobicContact CD1-CD1 4.36Å; L71-I75 HydrophobicContact CD1-CG1 4.13Å; L71-I75 HydrophobicContact CG-CG1 4.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.21Å; L71-I75 PolarHBondContact O-N 2.93Å; I75-L77 VanDerWaalsContact C-N 3.31Å; I75-L77 PolarHBondContact O-N 3.09Å; I75-M78 HydrophobicContact CD1-SD 4.3Å; I75-M78 PolarHBondContact O-N 3.12Å; I75-L79 HydrophobicContact CG2-CD1 4.04Å; I75-L79 HydrophobicContact CG2-CG 4.32Å; I75-L79 VanDerWaalsContact O-CG 3.31Å; I75-L79 WeakPolarHBondContact O-CG 3.32Å; I75-L79 PolarHBondContact O-N 3.3Å; I75-M92 HydrophobicContact CB-SD 4.4Å; I75-M92 HydrophobicContact CG2-SD 3.88Å; I75-L95 HydrophobicContact CG2-CD1 3.94Å; I75-L105 HydrophobicContact CD1-CD1 4.18Å; I75-L105 HydrophobicContact CG1-CD1 4.07Å; I75-I130 HydrophobicContact CD1-CB 4.24Å; I75-I130 HydrophobicContact CD1-CD1 4.4Å; I75-I130 HydrophobicContact CD1-CG1 3.85Å; I75-I130 HydrophobicContact CD1-CG2 3.65Å; I75-I130 HydrophobicContact CG2-CD1 4.15Å
76	S	98.7	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.2	-44.6	175.3	177.7	0	0	0	0	112.1	C56 L59 Q72 V73 L74 L79 S80	C56-S76 VanDerWaalsContact C-OG 3.24Å; C56-S76 WeakPolarHBondContact CA-OG 3.47Å; C56-S76 WeakPolarHBondContact CB-OG 3.33Å; C56-S76 WeakPolarHBondContact O-CB 3.22Å; C56-S76 PolarHBondContact O-OG 3.14Å; L59-S76 WeakPolarHBondContact CD1-OG 3.49Å; Q72-S76 WeakPolarHBondContact O-CB 3.38Å; Q72-S76 PolarHBondContact O-N 3.27Å; V73-S76 WeakPolarHBondContact O-CB 3.47Å; V73-S76 PolarHBondContact O-N 2.87Å; L74-S76 VanDerWaalsContact C-N 3.34Å; L74-S76 PolarHBondContact O-N 3.43Å; S76-L79 PolarHBondContact O-N 3.49Å; S76-S80 WeakPolarHBondContact O-CB 3.36Å; S76-S80 PolarHBondContact O-N 2.94Å
77	L	98.6	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-45.3	176	-73.4	162.9	0	0	0	112.2	V73 L74 I75 L79 S80 M162 L165 A166	V73-L77 HydrophobicContact CG1-CD1 3.91Å; V73-L77 WeakPolarHBondContact O-CG 3.49Å; V73-L77 PolarHBondContact O-N 3.07Å; L74-L77 WeakPolarHBondContact O-CB 3.37Å; L74-L77 PolarHBondContact O-N 3.42Å; I75-L77 VanDerWaalsContact C-N 3.31Å; I75-L77 PolarHBondContact O-N 3.09Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.06Å; L77-S80 PolarHBondContact O-N 3.45Å; L77-S80 PolarHBondContact O-OG 2.86Å; L77-M162 HydrophobicContact CB-CB 4.3Å; L77-M162 HydrophobicContact CB-CG 4.28Å; L77-M162 WeakPolarHBondContact O-CE 3.35Å; L77-L165 HydrophobicContact CD1-CB 4.22Å; L77-L165 HydrophobicContact CD2-CB 3.77Å; L77-L165 HydrophobicContact CD2-CD1 3.8Å; L77-L165 HydrophobicContact CD2-CG 4.49Å; L77-A166 HydrophobicContact CD1-CB 3.77Å
78	M	98.5	Very high	97.7	Very high	7 Å²	7	30.4 Å²	30.4	3%	0.034	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-40.6	177.1	-68.8	174.2	74.1	0	0	111.6	L74 I75 S81 K126 N129 I130 T133 P156 V158	L74-M78 HydrophobicContact CD1-CG 4.44Å; L74-M78 HydrophobicContact CD1-SD 4.49Å; L74-M78 HydrophobicContact CG-SD 4.14Å; L74-M78 VanDerWaalsContact O-CG 3.31Å; L74-M78 WeakPolarHBondContact O-CG 3.43Å; L74-M78 PolarHBondContact O-N 2.94Å; I75-M78 HydrophobicContact CD1-SD 4.3Å; I75-M78 PolarHBondContact O-N 3.12Å; M78-S81 PolarHBondContact O-OG 3.11Å; M78-K126 WeakPolarHBondContact O-CE 3.44Å; M78-N129 HydrophobicContact CE-CB 3.86Å; M78-I130 HydrophobicContact CE-CG1 3.92Å; M78-I130 HydrophobicContact SD-CG1 4.31Å; M78-T133 HydrophobicContact SD-CG2 4.42Å; M78-P156 WeakPolarHBondContact CE-O 3.44Å; M78-V158 HydrophobicContact CG-CG2 3.97Å; M78-V158 HydrophobicContact SD-CG2 4.26Å
79	L	98.5	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-70.5	-31.9	177.1	-66.7	178.9	0	0	0	112.9	I75 S76 L77 S81 T83 T88 A91 M92 L95 I117 V120 K126 I130	I75-L79 HydrophobicContact CG2-CD1 4.04Å; I75-L79 HydrophobicContact CG2-CG 4.32Å; I75-L79 VanDerWaalsContact O-CG 3.31Å; I75-L79 WeakPolarHBondContact O-CG 3.32Å; I75-L79 PolarHBondContact O-N 3.3Å; S76-L79 PolarHBondContact O-N 3.49Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.06Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 3.02Å; L79-T83 WeakPolarHBondContact O-CB 3.45Å; L79-T83 PolarHBondContact O-OG1 2.85Å; L79-T88 HydrophobicContact CB-CG2 4Å; L79-A91 HydrophobicContact CD1-CB 4.27Å; L79-M92 HydrophobicContact CD1-CG 4.33Å; L79-M92 HydrophobicContact CD1-SD 3.9Å; L79-L95 HydrophobicContact CD1-CD1 3.89Å; L79-I117 HydrophobicContact CD1-CG2 4.2Å; L79-I117 HydrophobicContact CD2-CB 4.22Å; L79-I117 HydrophobicContact CD2-CD1 3.68Å; L79-I117 HydrophobicContact CD2-CG2 4.08Å; L79-V120 HydrophobicContact CB-CG1 4.46Å; L79-V120 HydrophobicContact CD2-CG1 4.15Å; L79-V120 HydrophobicContact CD2-CG2 4.4Å; L79-V120 WeakPolarHBondContact O-CG1 3.43Å; L79-K126 HydrophobicContact CD2-CB 4.48Å; L79-K126 HydrophobicContact CD2-CD 4.39Å; L79-K126 PolarHBondContact O-NZ 2.93Å; L79-I130 HydrophobicContact CD2-CD1 3.81Å; L79-I130 HydrophobicContact CG-CD1 4.32Å
80	S	97.6	Very high	97.7	Very high	16 Å²	16	31 Å²	31	11%	0.112	16%	0.16	C	C	.	.	H	α-helix	trans	-65.7	-28.1	-175.2	75.6	0	0	0	0	115.2	S76 L77 Q82 T83	S76-S80 WeakPolarHBondContact O-CB 3.36Å; S76-S80 PolarHBondContact O-N 2.94Å; L77-S80 PolarHBondContact O-N 3.45Å; L77-S80 PolarHBondContact O-OG 2.86Å; S80-Q82 PolarHBondContact O-N 3.38Å; S80-T83 PolarHBondContact O-N 2.76Å; S80-T83 VanDerWaalsContact O-N 3.11Å
81	S	92.9	Very high	97.7	Very high	38 Å²	38	29.3 Å²	29.3	27%	0.266	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	125.5	-176.2	53.8	0	0	0	0	111.8	M78 L79 T83 K126 M162	M78-S81 PolarHBondContact O-OG 3.11Å; L79-S81 VanDerWaalsContact C-N 3.34Å; L79-S81 PolarHBondContact O-N 3.02Å; S81-T83 PolarHBondContact O-N 3Å; S81-T83 VanDerWaalsContact O-N 3.14Å; S81-T83 PolarHBondContact O-OG1 3.21Å; S81-K126 PolarHBondContact O-NZ 3.2Å; S81-K126 VanDerWaalsContact OG-CE 3.26Å; S81-K126 WeakPolarHBondContact OG-CE 3.37Å; S81-M162 VanDerWaalsContact CB-CE 3.45Å
82	Q	93.4	Very high	97.7	Very high	160 Å²	160	29.1 Å²	29.1	75%	0.748	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	38.8	-179.5	-57	179.5	75.5	0	0	112.6	S80 F122	S80-Q82 PolarHBondContact O-N 3.38Å; Q82-F122 HydrophobicContact CB-CE2 4.35Å
83	T	96.6	Very high	97.7	Very high	24 Å²	24	34.6 Å²	34.6	15%	0.147	18%	0.178	C	C	.	.	S	Bend	trans	-141.9	141.3	179.2	-62.1	0	0	0	0	108.5	L79 S80 S81 V87 T88 V120 G121 K126	L79-T83 WeakPolarHBondContact O-CB 3.45Å; L79-T83 PolarHBondContact O-OG1 2.85Å; S80-T83 PolarHBondContact O-N 2.76Å; S80-T83 VanDerWaalsContact O-N 3.11Å; S81-T83 PolarHBondContact O-N 3Å; S81-T83 VanDerWaalsContact O-N 3.14Å; S81-T83 PolarHBondContact O-OG1 3.21Å; T83-V87 HydrophobicContact CG2-CB 3.74Å; T83-V87 HydrophobicContact CG2-CG1 3.65Å; T83-T88 VanDerWaalsContact CG2-OG1 3.31Å; T83-T88 WeakPolarHBondContact CG2-OG1 3.12Å; T83-V120 HydrophobicContact CG2-CB 4.36Å; T83-V120 HydrophobicContact CG2-CG1 4.05Å; T83-V120 HydrophobicContact CG2-CG2 4.32Å; T83-V120 WeakPolarHBondContact OG1-CG1 3.23Å; T83-G121 PolarHBondContact OG1-N 2.89Å; T83-G121 VanDerWaalsContact OG1-N 3.08Å; T83-K126 PolarHBondContact OG1-NZ 3.35Å
84	K	96.4	Very high	97.7	Very high	156 Å²	156	38.2 Å²	38.2	68%	0.678	19%	0.192	S	C	*	.			trans	-70.5	145.5	177.9	-65.7	-179.2	179	177.2	0	110.2	Q86 V87 T88	K84-Q86 VanDerWaalsContact C-N 3.28Å; K84-Q86 PolarHBondContact O-N 3.44Å; K84-V87 HydrophobicContact CB-CG2 4.25Å; K84-V87 WeakPolarHBondContact O-CA 3.42Å; K84-V87 WeakPolarHBondContact O-CB 3.37Å; K84-V87 PolarHBondContact O-N 3.36Å; K84-T88 PolarHBondContact O-N 3.11Å; K84-T88 PolarHBondContact O-OG1 3.42Å
85	D	97.5	Very high	97.7	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.112	19%	0.192	C	C	.	.	H	α-helix	trans	-51.6	-43.9	-179.9	-66.5	-16.3	0	0	0	112.9	P50 V51 M54 V87 T88 S89 Q228	P50-D85 HydrophobicContact CB-CB 4.25Å; V51-D85 WeakPolarHBondContact CA-OD2 3.47Å; V51-D85 PolarHBondContact N-OD2 2.96Å; M54-D85 HydrophobicContact CB-CB 4.07Å; D85-V87 VanDerWaalsContact C-N 3.27Å; D85-V87 PolarHBondContact O-N 2.84Å; D85-T88 PolarHBondContact O-N 2.71Å; D85-S89 VanDerWaalsContact O-CB 3.28Å; D85-S89 WeakPolarHBondContact O-CB 3.21Å; D85-S89 PolarHBondContact O-N 3.28Å; D85-Q228 PolarHBondContact OD2-NE2 3.3Å
86	Q	97.7	Very high	97.7	Very high	87 Å²	87	41.9 Å²	41.9	41%	0.407	21%	0.208	S	C	.	.	H	α-helix	trans	-57.5	-40.4	177.3	-63.4	80.8	0.5	0	0	112.4	M54 K84 A90	M54-Q86 HydrophobicContact CE-CG 3.77Å; M54-Q86 HydrophobicContact SD-CB 4.19Å; M54-Q86 HydrophobicContact SD-CG 3.71Å; K84-Q86 VanDerWaalsContact C-N 3.28Å; K84-Q86 PolarHBondContact O-N 3.44Å; Q86-A90 WeakPolarHBondContact O-CB 3.47Å; Q86-A90 PolarHBondContact O-N 2.94Å
87	V	98.3	Very high	97.6	Very high	42 Å²	42	48.7 Å²	48.7	26%	0.255	24%	0.244	S	C	.	.	H	α-helix	trans	-73.8	-41.2	-177.6	177.4	0	0	0	0	110.3	T83 K84 D85 A91 P119 V120	T83-V87 HydrophobicContact CG2-CB 3.74Å; T83-V87 HydrophobicContact CG2-CG1 3.65Å; K84-V87 HydrophobicContact CB-CG2 4.25Å; K84-V87 WeakPolarHBondContact O-CA 3.42Å; K84-V87 WeakPolarHBondContact O-CB 3.37Å; K84-V87 PolarHBondContact O-N 3.36Å; D85-V87 VanDerWaalsContact C-N 3.27Å; D85-V87 PolarHBondContact O-N 2.84Å; V87-A91 WeakPolarHBondContact O-CB 3.43Å; V87-A91 PolarHBondContact O-N 3.2Å; V87-A91 VanDerWaalsContact O-N 3.07Å; V87-P119 HydrophobicContact CG1-CB 3.83Å; V87-P119 WeakPolarHBondContact CG1-O 3.34Å; V87-V120 HydrophobicContact CG1-CG2 4.23Å
88	T	98.4	Very high	97.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-44.4	174.1	-60.3	0	0	0	0	111.4	L59 L79 T83 K84 D85 A91 M92	L59-T88 HydrophobicContact CD1-CG2 3.88Å; L79-T88 HydrophobicContact CB-CG2 4Å; T83-T88 VanDerWaalsContact CG2-OG1 3.31Å; T83-T88 WeakPolarHBondContact CG2-OG1 3.12Å; K84-T88 PolarHBondContact O-N 3.11Å; K84-T88 PolarHBondContact O-OG1 3.42Å; D85-T88 PolarHBondContact O-N 2.71Å; T88-A91 PolarHBondContact O-N 2.9Å; T88-M92 PolarHBondContact O-N 3.14Å
89	S	98.3	Very high	97.5	Very high	26 Å²	26	54.3 Å²	54.3	18%	0.182	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-51.7	177	-178.9	0	0	0	0	112	L59 D85 A91 M92 E93	L59-S89 WeakPolarHBondContact CD2-OG 3.28Å; D85-S89 VanDerWaalsContact O-CB 3.28Å; D85-S89 WeakPolarHBondContact O-CB 3.21Å; D85-S89 PolarHBondContact O-N 3.28Å; S89-A91 VanDerWaalsContact C-N 3.28Å; S89-A91 PolarHBondContact O-N 2.82Å; S89-M92 PolarHBondContact O-N 3.43Å; S89-M92 VanDerWaalsContact O-N 3.15Å; S89-E93 PolarHBondContact O-N 3.49Å
90	A	98.4	Very high	97.5	Very high	30 Å²	30	54.5 Å²	54.5	25%	0.248	27%	0.273	C	S	.	.	H	α-helix	trans	-62.6	-34.3	177.8	0	0	0	0	0	112.8	Q86 R94	Q86-A90 WeakPolarHBondContact O-CB 3.47Å; Q86-A90 PolarHBondContact O-N 2.94Å; A90-R94 WeakPolarHBondContact O-CG 3.31Å; A90-R94 PolarHBondContact O-N 2.69Å; A90-R94 PolarHBondContact O-NH1 3.37Å; A90-R94 VanDerWaalsContact O-NH1 3.11Å
91	A	98.6	Very high	97.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.9	-43.3	174.3	0	0	0	0	0	112.2	L79 V87 T88 S89 E93 R94 L95 I117 V120	L79-A91 HydrophobicContact CD1-CB 4.27Å; V87-A91 WeakPolarHBondContact O-CB 3.43Å; V87-A91 PolarHBondContact O-N 3.2Å; V87-A91 VanDerWaalsContact O-N 3.07Å; T88-A91 PolarHBondContact O-N 2.9Å; S89-A91 VanDerWaalsContact C-N 3.28Å; S89-A91 PolarHBondContact O-N 2.82Å; A91-E93 VanDerWaalsContact C-N 3.33Å; A91-E93 PolarHBondContact O-N 2.73Å; A91-R94 VanDerWaalsContact CA-NH2 3.34Å; A91-R94 PolarHBondContact O-N 3.42Å; A91-L95 WeakPolarHBondContact O-CG 3.47Å; A91-L95 PolarHBondContact O-N 2.77Å; A91-I117 HydrophobicContact CB-CB 4.5Å; A91-I117 HydrophobicContact CB-CG2 4.31Å; A91-V120 HydrophobicContact CB-CG2 3.63Å
92	M	98.6	Very high	97.8	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-39	174.7	-78.1	-58.8	-60.5	0	0	112	L59 Q72 I75 L79 T88 S89 L95 K96	L59-M92 HydrophobicContact CB-CB 4.17Å; L59-M92 HydrophobicContact CB-CG 4.11Å; L59-M92 HydrophobicContact CD1-CB 4.06Å; L59-M92 HydrophobicContact CD1-CG 3.75Å; Q72-M92 HydrophobicContact CB-CE 4.13Å; I75-M92 HydrophobicContact CB-SD 4.4Å; I75-M92 HydrophobicContact CG2-SD 3.88Å; L79-M92 HydrophobicContact CD1-CG 4.33Å; L79-M92 HydrophobicContact CD1-SD 3.9Å; T88-M92 PolarHBondContact O-N 3.14Å; S89-M92 PolarHBondContact O-N 3.43Å; S89-M92 VanDerWaalsContact O-N 3.15Å; M92-L95 PolarHBondContact O-N 3.11Å; M92-L95 HydrophobicContact SD-CD1 4.26Å; M92-K96 WeakPolarHBondContact O-CB 3.3Å; M92-K96 WeakPolarHBondContact O-CG 3.34Å; M92-K96 PolarHBondContact O-N 3.37Å
93	E	98.4	Very high	98	Very high	117 Å²	117	52.3 Å²	52.3	55%	0.547	27%	0.267	S	S	.	.	H	α-helix	trans	-58.9	-49.9	174.8	-175.2	178.6	-164.6	0	0	111.6	S89 A91 L95 K96 L97	S89-E93 PolarHBondContact O-N 3.49Å; A91-E93 VanDerWaalsContact C-N 3.33Å; A91-E93 PolarHBondContact O-N 2.73Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 2.84Å; E93-K96 PolarHBondContact O-N 2.74Å; E93-L97 HydrophobicContact CG-CD1 4.22Å; E93-L97 WeakPolarHBondContact O-CG 3.45Å; E93-L97 PolarHBondContact O-N 3.11Å
94	R	98.7	Very high	98	Very high	78 Å²	78	52.4 Å²	52.4	29%	0.294	27%	0.268	S	S	.	.	H	α-helix	trans	-59.7	-40.4	176.1	-71.4	-172.9	-61.6	-82.6	-1.1	112.7	A90 A91 R98 L116	A90-R94 WeakPolarHBondContact O-CG 3.31Å; A90-R94 PolarHBondContact O-N 2.69Å; A90-R94 PolarHBondContact O-NH1 3.37Å; A90-R94 VanDerWaalsContact O-NH1 3.11Å; A91-R94 VanDerWaalsContact CA-NH2 3.34Å; A91-R94 PolarHBondContact O-N 3.42Å; R94-R98 WeakPolarHBondContact O-CB 3.44Å; R94-R98 PolarHBondContact O-N 3.14Å; R94-R98 VanDerWaalsContact O-N 3.11Å; R94-L116 HydrophobicContact CB-CD2 4.05Å; R94-L116 VanDerWaalsContact CZ-O 3.3Å; R94-L116 PolarHBondContact NE-O 3.21Å; R94-L116 PolarHBondContact NH2-O 3.45Å
95	L	98.6	Very high	98.1	Very high	1 Å²	1	45 Å²	45	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-43	175.6	-72.2	175.5	0	0	0	112.2	I75 L79 A91 M92 E93 R98 G99 C100 L105 L113 L116 I117	I75-L95 HydrophobicContact CG2-CD1 3.94Å; L79-L95 HydrophobicContact CD1-CD1 3.89Å; A91-L95 WeakPolarHBondContact O-CG 3.47Å; A91-L95 PolarHBondContact O-N 2.77Å; M92-L95 PolarHBondContact O-N 3.11Å; M92-L95 HydrophobicContact SD-CD1 4.26Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 2.84Å; L95-R98 CarbonylContact O-C 3.52Å; L95-R98 PolarHBondContact O-N 2.63Å; L95-G99 CarbonylContact O-C 3.5Å; L95-G99 PolarHBondContact O-N 3.08Å; L95-C100 HydrophobicContact CB-CB 4.2Å; L95-C100 PolarHBondContact O-N 3.44Å; L95-C100 VanDerWaalsContact O-N 3.14Å; L95-L105 HydrophobicContact CD2-CD2 4.31Å; L95-L113 HydrophobicContact CD2-CD1 3.62Å; L95-L116 HydrophobicContact CD2-CB 4.05Å; L95-L116 HydrophobicContact CD2-CD1 3.96Å; L95-I117 HydrophobicContact CD1-CG2 3.86Å; L95-I117 HydrophobicContact CD2-CG2 4.23Å; L95-I117 HydrophobicContact CG-CG2 4.12Å
96	K	98.2	Very high	98.1	Very high	76 Å²	76	45.7 Å²	45.7	33%	0.33	24%	0.241	S	C	.	.	H	α-helix	trans	-64.2	-46	178.2	-73.9	-167.9	-57.5	-176.8	0	111.4	L59 D61 M92 E93 R98 G99 C100	L59-K96 PolarHBondContact O-NZ 2.61Å; D61-K96 HydrophobicContact CB-CD 4.37Å; M92-K96 WeakPolarHBondContact O-CB 3.3Å; M92-K96 WeakPolarHBondContact O-CG 3.34Å; M92-K96 PolarHBondContact O-N 3.37Å; E93-K96 PolarHBondContact O-N 2.74Å; K96-R98 PolarHBondContact O-N 3.37Å; K96-G99 WeakPolarHBondContact O-CA 3.46Å; K96-G99 PolarHBondContact O-N 3.37Å; K96-C100 HydrophobicContact CG-CB 4.07Å
97	L	98	Very high	98.1	Very high	143 Å²	143	45.9 Å²	45.9	75%	0.749	25%	0.252	S	S	*	.	H	α-helix	trans	-57.5	-35.1	174.3	-71.5	172.3	0	0	0	112.5	E93 G99	E93-L97 HydrophobicContact CG-CD1 4.22Å; E93-L97 WeakPolarHBondContact O-CG 3.45Å; E93-L97 PolarHBondContact O-N 3.11Å; L97-G99 VanDerWaalsContact C-N 3.34Å
98	R	97.7	Very high	98	Very high	102 Å²	102	44 Å²	44	39%	0.385	24%	0.24	S	C	.	.	H	α-helix	trans	-79.5	-14.5	176.1	-177.6	54.8	-176.8	80	5.2	114.1	R94 L95 K96 M108 E112 L116	R94-R98 WeakPolarHBondContact O-CB 3.44Å; R94-R98 PolarHBondContact O-N 3.14Å; R94-R98 VanDerWaalsContact O-N 3.11Å; L95-R98 CarbonylContact O-C 3.52Å; L95-R98 PolarHBondContact O-N 2.63Å; K96-R98 PolarHBondContact O-N 3.37Å; R98-M108 HydrophobicContact CG-CE 3.53Å; R98-E112 IonicContact CZ-OE1 2.92Å; R98-E112 IonicContact NE-OE1 2.79Å; R98-E112 PolarHBondContact NE-OE1 3.36Å; R98-E112 IonicContact NH2-OE1 3.57Å; R98-E112 PolarHBondContact NH2-OE1 3.02Å; R98-E112 IonicContact NH2-OE2 3.64Å; R98-L116 HydrophobicContact CB-CD1 4.12Å; R98-L116 HydrophobicContact CG-CD1 3.85Å
99	G	96.7	Very high	98	Very high	23 Å²	23	51.8 Å²	51.8	24%	0.237	27%	0.274	C	S	.	.			trans	99.5	86.6	-174.1	0	0	0	0	0	112.1	L95 K96 L97 T101 T104	L95-G99 CarbonylContact O-C 3.5Å; L95-G99 PolarHBondContact O-N 3.08Å; K96-G99 WeakPolarHBondContact O-CA 3.46Å; K96-G99 PolarHBondContact O-N 3.37Å; L97-G99 VanDerWaalsContact C-N 3.34Å; G99-T101 PolarHBondContact O-N 3.17Å; G99-T104 WeakPolarHBondContact O-CB 3.25Å; G99-T104 WeakPolarHBondContact O-CG2 3.37Å; G99-T104 PolarHBondContact O-OG1 3.26Å
100	C	97.9	Very high	98	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.02	28%	0.28	C	S	.	.			trans	-83.3	58.6	-179.5	-167.1	0	0	0	0	112.2	Q72 L95 K96	Q72-C100 HydrophobicContact CG-CB 4.07Å; L95-C100 HydrophobicContact CB-CB 4.2Å; L95-C100 PolarHBondContact O-N 3.44Å; L95-C100 VanDerWaalsContact O-N 3.14Å; K96-C100 HydrophobicContact CG-CB 4.07Å
101	T	98.4	Very high	98	Very high	35 Å²	35	53.2 Å²	53.2	22%	0.215	29%	0.286	C	S	.	.	S	Bend	trans	-110.3	161.6	176.6	73.3	0	0	0	0	111.1	T68 G99 T103 T104 L105	T68-T101 HydrophobicContact CG2-CG2 4.06Å; G99-T101 PolarHBondContact O-N 3.17Å; T101-T103 VanDerWaalsContact C-N 3.3Å; T101-T103 PolarHBondContact O-N 3.29Å; T101-T104 PolarHBondContact O-N 3.27Å; T101-T104 PolarHBondContact OG1-N 2.83Å; T101-T104 PolarHBondContact OG1-OG1 3.37Å; T101-T104 VanDerWaalsContact OG1-OG1 3.06Å; T101-L105 WeakPolarHBondContact O-CB 3.38Å; T101-L105 WeakPolarHBondContact O-CG 3.2Å; T101-L105 PolarHBondContact O-N 2.79Å
102	L	98.2	Very high	98	Very high	20 Å²	20	56.3 Å²	56.3	11%	0.105	30%	0.3	C	S	.	.	H	α-helix	trans	-59.8	-43.5	178.7	-169.8	69.7	0	0	0	111.5	L71 T104 L105 T106 C134 L137 K138 S143	L71-L102 HydrophobicContact CD1-CD1 4.3Å; L71-L102 HydrophobicContact CD2-CB 3.88Å; L71-L102 HydrophobicContact CD2-CD1 4.3Å; L102-T104 PolarHBondContact O-N 3.06Å; L102-L105 PolarHBondContact O-N 3.06Å; L102-T106 VanDerWaalsContact O-CB 3.24Å; L102-T106 WeakPolarHBondContact O-CB 3.47Å; L102-T106 PolarHBondContact O-N 2.81Å; L102-T106 PolarHBondContact O-OG1 3.46Å; L102-C134 HydrophobicContact CD1-CB 3.72Å; L102-L137 HydrophobicContact CD1-CB 4.22Å; L102-L137 HydrophobicContact CD1-CD1 4.33Å; L102-K138 HydrophobicContact CD2-CB 4.37Å; L102-S143 VanDerWaalsContact CD2-CA 3.48Å
103	T	97.7	Very high	98	Very high	113 Å²	113	56.2 Å²	56.2	69%	0.693	30%	0.3	S	S	*	.	H	α-helix	trans	-59.4	-47.9	178.1	-57.6	0	0	0	0	111.3	T101 T106 S107	T101-T103 VanDerWaalsContact C-N 3.3Å; T101-T103 PolarHBondContact O-N 3.29Å; T103-T106 PolarHBondContact O-N 3.28Å; T103-S107 PolarHBondContact O-N 3.4Å; T103-S107 PolarHBondContact O-OG 2.92Å
104	T	98.1	Very high	98	Very high	27 Å²	27	52.7 Å²	52.7	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-67.4	-46.5	-179.7	-58	0	0	0	0	111.7	G99 T101 L102 T106 S107 M108	G99-T104 WeakPolarHBondContact O-CB 3.25Å; G99-T104 WeakPolarHBondContact O-CG2 3.37Å; G99-T104 PolarHBondContact O-OG1 3.26Å; T101-T104 PolarHBondContact O-N 3.27Å; T101-T104 PolarHBondContact OG1-N 2.83Å; T101-T104 PolarHBondContact OG1-OG1 3.37Å; T101-T104 VanDerWaalsContact OG1-OG1 3.06Å; L102-T104 PolarHBondContact O-N 3.06Å; T104-T106 VanDerWaalsContact C-N 3.28Å; T104-T106 PolarHBondContact O-N 3.2Å; T104-S107 PolarHBondContact O-N 3.12Å; T104-S107 PolarHBondContact O-OG 3.02Å; T104-M108 HydrophobicContact CG2-CE 4.16Å; T104-M108 VanDerWaalsContact O-CB 3.26Å; T104-M108 WeakPolarHBondContact O-CB 3.38Å; T104-M108 PolarHBondContact O-N 3.22Å
105	L	98.4	Very high	98	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-34.6	179.5	-68.6	175.7	0	0	0	112.1	L71 I75 L95 T101 L102 L113 I130 K131	L71-L105 HydrophobicContact CD2-CD1 4.19Å; I75-L105 HydrophobicContact CD1-CD1 4.18Å; I75-L105 HydrophobicContact CG1-CD1 4.07Å; L95-L105 HydrophobicContact CD2-CD2 4.31Å; T101-L105 WeakPolarHBondContact O-CB 3.38Å; T101-L105 WeakPolarHBondContact O-CG 3.2Å; T101-L105 PolarHBondContact O-N 2.79Å; L102-L105 PolarHBondContact O-N 3.06Å; L105-L113 HydrophobicContact CD2-CD1 4.28Å; L105-I130 HydrophobicContact CD1-CG2 4.49Å; L105-K131 WeakPolarHBondContact O-CD 3.46Å
106	T	97	Very high	98	Very high	35 Å²	35	56.2 Å²	56.2	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-70.1	-39.5	176.7	-55.9	0	0	0	0	111.7	L102 T103 T104 K131	L102-T106 VanDerWaalsContact O-CB 3.24Å; L102-T106 WeakPolarHBondContact O-CB 3.47Å; L102-T106 PolarHBondContact O-N 2.81Å; L102-T106 PolarHBondContact O-OG1 3.46Å; T103-T106 PolarHBondContact O-N 3.28Å; T104-T106 VanDerWaalsContact C-N 3.28Å; T104-T106 PolarHBondContact O-N 3.2Å; T106-K131 PolarHBondContact O-NZ 3.07Å
107	S	97	Very high	98	Very high	90 Å²	90	52.6 Å²	52.6	63%	0.629	29%	0.292	S	S	*	.	H	α-helix	trans	-81	-22.2	179	66	0	0	0	0	114	T103 T104	T103-S107 PolarHBondContact O-N 3.4Å; T103-S107 PolarHBondContact O-OG 2.92Å; T104-S107 PolarHBondContact O-N 3.12Å; T104-S107 PolarHBondContact O-OG 3.02Å
108	M	97.4	Very high	98	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	28%	0.283	C	S	.	.	S	Bend	trans	-60.6	135.5	178.9	-171	178.1	-70.1	0	0	111.7	R98 T104 E112 L113 L116 K131	R98-M108 HydrophobicContact CG-CE 3.53Å; T104-M108 HydrophobicContact CG2-CE 4.16Å; T104-M108 VanDerWaalsContact O-CB 3.26Å; T104-M108 WeakPolarHBondContact O-CB 3.38Å; T104-M108 PolarHBondContact O-N 3.22Å; M108-E112 HydrophobicContact CG-CB 3.96Å; M108-E112 HydrophobicContact CG-CG 3.91Å; M108-E112 WeakPolarHBondContact CG-OE2 3.45Å; M108-E112 HydrophobicContact SD-CG 4.22Å; M108-L113 HydrophobicContact CG-CB 4.25Å; M108-L113 VanDerWaalsContact SD-CA 3.54Å; M108-L113 HydrophobicContact SD-CB 3.63Å; M108-L113 HydrophobicContact SD-CD1 3.96Å; M108-L113 HydrophobicContact SD-CG 4.36Å; M108-L116 HydrophobicContact CE-CD1 3.68Å; M108-L116 HydrophobicContact SD-CD1 3.76Å; M108-K131 PolarHBondContact O-NZ 3.27Å
109	K	97.7	Very high	98	Very high	164 Å²	164	51.2 Å²	51.2	71%	0.713	29%	0.288	S	S	*	.			trans	-66.8	141.8	172.3	-68.6	-179.6	-178.4	175.7	0	109.2	G111 E112 L113	K109-G111 PolarHBondContact O-N 3.38Å; K109-E112 HydrophobicContact CB-CB 4.39Å; K109-E112 WeakPolarHBondContact O-CB 3.13Å; K109-E112 PolarHBondContact O-N 3.24Å; K109-E112 VanDerWaalsContact O-N 3.09Å; K109-L113 PolarHBondContact O-N 2.94Å; K109-L113 VanDerWaalsContact O-N 3.07Å
110	T	97.9	Very high	98.1	Very high	49 Å²	49	50.2 Å²	50.2	30%	0.301	28%	0.277	S	S	.	.	H	α-helix	trans	-56.5	-36.6	179.8	-53.4	0	0	0	0	112.8	L113 Q114 L128	T110-L113 PolarHBondContact O-N 2.98Å; T110-Q114 WeakPolarHBondContact O-CB 3.28Å; T110-Q114 VanDerWaalsContact O-CG 3.28Å; T110-Q114 WeakPolarHBondContact O-CG 3.1Å; T110-Q114 PolarHBondContact O-N 3.03Å; T110-L128 HydrophobicContact CG2-CD2 4.01Å
111	G	98.2	Very high	98	Very high	37 Å²	37	51.3 Å²	51.3	38%	0.381	29%	0.289	S	S	.	.	H	α-helix	trans	-63.1	-45.7	176.1	0	0	0	0	0	113	K109 L113 Q114 D115	K109-G111 PolarHBondContact O-N 3.38Å; G111-L113 VanDerWaalsContact C-N 3.34Å; G111-L113 PolarHBondContact O-N 3.07Å; G111-Q114 WeakPolarHBondContact O-CB 3.22Å; G111-Q114 PolarHBondContact O-N 2.71Å; G111-Q114 VanDerWaalsContact O-N 3.15Å; G111-D115 VanDerWaalsContact O-CG 3.29Å; G111-D115 PolarHBondContact O-N 2.94Å
112	E	98.5	Very high	97.9	Very high	64 Å²	64	55.6 Å²	55.6	30%	0.299	31%	0.305	S	S	.	.	H	α-helix	trans	-60.8	-43.5	176	-179.3	-175	-179.2	0	0	111.6	R98 M108 K109 Q114 D115 L116	R98-E112 IonicContact CZ-OE1 2.92Å; R98-E112 IonicContact NE-OE1 2.79Å; R98-E112 PolarHBondContact NE-OE1 3.36Å; R98-E112 IonicContact NH2-OE1 3.57Å; R98-E112 PolarHBondContact NH2-OE1 3.02Å; R98-E112 IonicContact NH2-OE2 3.64Å; M108-E112 HydrophobicContact CG-CB 3.96Å; M108-E112 HydrophobicContact CG-CG 3.91Å; M108-E112 WeakPolarHBondContact CG-OE2 3.45Å; M108-E112 HydrophobicContact SD-CG 4.22Å; K109-E112 HydrophobicContact CB-CB 4.39Å; K109-E112 WeakPolarHBondContact O-CB 3.13Å; K109-E112 PolarHBondContact O-N 3.24Å; K109-E112 VanDerWaalsContact O-N 3.09Å; E112-Q114 VanDerWaalsContact C-N 3.33Å; E112-Q114 PolarHBondContact O-N 2.76Å; E112-D115 PolarHBondContact O-N 3.25Å; E112-L116 HydrophobicContact CG-CD1 4.43Å; E112-L116 WeakPolarHBondContact O-CG 3.5Å; E112-L116 PolarHBondContact O-N 3.06Å; E112-L116 VanDerWaalsContact O-N 3.1Å
113	L	98.6	Very high	97.9	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-46	174.8	179.5	56.2	0	0	0	111	L95 L105 M108 K109 T110 G111 D115 L116 I117 A127 I130 K131	L95-L113 HydrophobicContact CD2-CD1 3.62Å; L105-L113 HydrophobicContact CD2-CD1 4.28Å; M108-L113 HydrophobicContact CG-CB 4.25Å; M108-L113 VanDerWaalsContact SD-CA 3.54Å; M108-L113 HydrophobicContact SD-CB 3.63Å; M108-L113 HydrophobicContact SD-CD1 3.96Å; M108-L113 HydrophobicContact SD-CG 4.36Å; K109-L113 PolarHBondContact O-N 2.94Å; K109-L113 VanDerWaalsContact O-N 3.07Å; T110-L113 PolarHBondContact O-N 2.98Å; G111-L113 VanDerWaalsContact C-N 3.34Å; G111-L113 PolarHBondContact O-N 3.07Å; L113-D115 VanDerWaalsContact C-N 3.3Å; L113-D115 PolarHBondContact O-N 2.93Å; L113-L116 PolarHBondContact O-N 3.14Å; L113-I117 HydrophobicContact CD1-CG2 4.39Å; L113-I117 VanDerWaalsContact O-CG1 3.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.46Å; L113-I117 PolarHBondContact O-N 3.48Å; L113-I117 VanDerWaalsContact O-N 3.13Å; L113-A127 HydrophobicContact CD2-CB 3.97Å; L113-A127 HydrophobicContact CG-CB 3.98Å; L113-I130 HydrophobicContact CD2-CB 4.17Å; L113-I130 HydrophobicContact CD2-CG2 3.85Å; L113-K131 HydrophobicContact CD2-CD 4.44Å; L113-K131 HydrophobicContact CD2-CG 4.05Å
114	Q	98.6	Very high	97.9	Very high	42 Å²	42	57.2 Å²	57.2	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-40.8	177.4	-77.4	177.2	17.8	0	0	112.3	T110 G111 E112 I117 Y118 Y123 A127	T110-Q114 WeakPolarHBondContact O-CB 3.28Å; T110-Q114 VanDerWaalsContact O-CG 3.28Å; T110-Q114 WeakPolarHBondContact O-CG 3.1Å; T110-Q114 PolarHBondContact O-N 3.03Å; G111-Q114 WeakPolarHBondContact O-CB 3.22Å; G111-Q114 PolarHBondContact O-N 2.71Å; G111-Q114 VanDerWaalsContact O-N 3.15Å; E112-Q114 VanDerWaalsContact C-N 3.33Å; E112-Q114 PolarHBondContact O-N 2.76Å; Q114-I117 CarbonylContact O-C 3.59Å; Q114-I117 PolarHBondContact O-N 3.11Å; Q114-Y118 VanDerWaalsContact O-CA 3.23Å; Q114-Y118 WeakPolarHBondContact O-CA 3.49Å; Q114-Y118 WeakPolarHBondContact O-CB 3.45Å; Q114-Y118 PolarHBondContact O-N 3.41Å; Q114-Y123 HydrophobicContact CB-CD2 3.92Å; Q114-Y123 HydrophobicContact CB-CE2 3.96Å; Q114-Y123 HydrophobicContact CG-CD2 4.09Å; Q114-Y123 HydrophobicContact CG-CE2 4.27Å; Q114-A127 HydrophobicContact CG-CB 3.54Å
115	D	98.6	Very high	98	Very high	121 Å²	121	59.7 Å²	59.7	65%	0.647	32%	0.316	S	S	*	.	H	α-helix	trans	-64.9	-42.9	178.2	-65.4	-26.2	0	0	0	111.4	G111 E112 L113 I117 Y118	G111-D115 VanDerWaalsContact O-CG 3.29Å; G111-D115 PolarHBondContact O-N 2.94Å; E112-D115 PolarHBondContact O-N 3.25Å; L113-D115 VanDerWaalsContact C-N 3.3Å; L113-D115 PolarHBondContact O-N 2.93Å; D115-I117 VanDerWaalsContact C-N 3.28Å; D115-I117 PolarHBondContact O-N 3.46Å; D115-Y118 PolarHBondContact O-N 3.4Å
116	L	98.6	Very high	98	Very high	32 Å²	32	60.3 Å²	60.3	17%	0.168	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-33.9	177.3	-67.6	166	0	0	0	112.4	R94 L95 R98 M108 E112 L113	R94-L116 HydrophobicContact CB-CD2 4.05Å; R94-L116 VanDerWaalsContact CZ-O 3.3Å; R94-L116 PolarHBondContact NE-O 3.21Å; R94-L116 PolarHBondContact NH2-O 3.45Å; L95-L116 HydrophobicContact CD2-CB 4.05Å; L95-L116 HydrophobicContact CD2-CD1 3.96Å; R98-L116 HydrophobicContact CB-CD1 4.12Å; R98-L116 HydrophobicContact CG-CD1 3.85Å; M108-L116 HydrophobicContact CE-CD1 3.68Å; M108-L116 HydrophobicContact SD-CD1 3.76Å; E112-L116 HydrophobicContact CG-CD1 4.43Å; E112-L116 WeakPolarHBondContact O-CG 3.5Å; E112-L116 PolarHBondContact O-N 3.06Å; E112-L116 VanDerWaalsContact O-N 3.1Å; L113-L116 PolarHBondContact O-N 3.14Å
117	I	98.5	Very high	98	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-106.8	9.9	-178.2	70.3	157	0	0	0	114	L79 A91 L95 L113 Q114 D115 P119 V120 Y123 K126 A127 I130	L79-I117 HydrophobicContact CD1-CG2 4.2Å; L79-I117 HydrophobicContact CD2-CB 4.22Å; L79-I117 HydrophobicContact CD2-CD1 3.68Å; L79-I117 HydrophobicContact CD2-CG2 4.08Å; A91-I117 HydrophobicContact CB-CB 4.5Å; A91-I117 HydrophobicContact CB-CG2 4.31Å; L95-I117 HydrophobicContact CD1-CG2 3.86Å; L95-I117 HydrophobicContact CD2-CG2 4.23Å; L95-I117 HydrophobicContact CG-CG2 4.12Å; L113-I117 HydrophobicContact CD1-CG2 4.39Å; L113-I117 VanDerWaalsContact O-CG1 3.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.46Å; L113-I117 PolarHBondContact O-N 3.48Å; L113-I117 VanDerWaalsContact O-N 3.13Å; Q114-I117 CarbonylContact O-C 3.59Å; Q114-I117 PolarHBondContact O-N 3.11Å; D115-I117 VanDerWaalsContact C-N 3.28Å; D115-I117 PolarHBondContact O-N 3.46Å; I117-P119 VanDerWaalsContact C-CD 3.44Å; I117-P119 VanDerWaalsContact C-N 3.35Å; I117-P119 VanDerWaalsContact O-N 3.11Å; I117-V120 HydrophobicContact CB-CG2 4.26Å; I117-V120 WeakPolarHBondContact O-CB 3.33Å; I117-V120 WeakPolarHBondContact O-CG2 3.4Å; I117-V120 PolarHBondContact O-N 2.83Å; I117-Y123 WeakPolarHBondContact O-CB 3.31Å; I117-K126 HydrophobicContact CD1-CB 4.16Å; I117-A127 HydrophobicContact CD1-CB 4.16Å; I117-I130 HydrophobicContact CD1-CD1 4.5Å
118	Y	98.1	Very high	98.1	Very high	142 Å²	142	58.3 Å²	58.3	56%	0.557	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-43.5	-169.9	170.3	-95.7	0	0	0	115.2	Q114 D115 V120 Y123	Q114-Y118 VanDerWaalsContact O-CA 3.23Å; Q114-Y118 WeakPolarHBondContact O-CA 3.49Å; Q114-Y118 WeakPolarHBondContact O-CB 3.45Å; Q114-Y118 PolarHBondContact O-N 3.41Å; D115-Y118 PolarHBondContact O-N 3.4Å; Y118-V120 PolarHBondContact O-N 3.11Å; Y118-V120 VanDerWaalsContact O-N 3.17Å; Y118-Y123 HydrophobicContact CD2-CD1 4.31Å; Y118-Y123 HydrophobicContact CD2-CD2 4.35Å; Y118-Y123 AromaticContact CD2-CE1 3.74Å; Y118-Y123 HydrophobicContact CD2-CE1 3.74Å; Y118-Y123 AromaticContact CD2-CE2 3.77Å; Y118-Y123 HydrophobicContact CD2-CE2 3.77Å; Y118-Y123 AromaticContact CD2-CZ 3.42Å; Y118-Y123 VanDerWaalsContact CD2-CZ 3.42Å; Y118-Y123 AromaticContact CE2-CE1 3.88Å; Y118-Y123 HydrophobicContact CE2-CE1 3.88Å; Y118-Y123 HydrophobicContact CE2-CE2 4.48Å; Y118-Y123 AromaticContact CE2-CZ 3.71Å; Y118-Y123 WeakPolarHBondContact CE2-OH 3.38Å; Y118-Y123 VanDerWaalsContact O-CD1 3.27Å; Y118-Y123 WeakPolarHBondContact O-CD1 3.31Å
119	P	97.7	Very high	98.1	Very high	74 Å²	74	59.8 Å²	59.8	48%	0.481	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.8	180	-24.4	37.5	0	0	0	115.1	V87 I117	V87-P119 HydrophobicContact CG1-CB 3.83Å; V87-P119 WeakPolarHBondContact CG1-O 3.34Å; I117-P119 VanDerWaalsContact C-CD 3.44Å; I117-P119 VanDerWaalsContact C-N 3.35Å; I117-P119 VanDerWaalsContact O-N 3.11Å
120	V	98.1	Very high	98.2	Very high	2 Å²	2	52 Å²	52	1%	0.012	27%	0.273	C	S	.	.	S	Bend	trans	-69.7	137.4	-179.5	175.2	0	0	0	0	110.1	L79 T83 V87 A91 I117 Y118 F122 Y123 K126	L79-V120 HydrophobicContact CB-CG1 4.46Å; L79-V120 HydrophobicContact CD2-CG1 4.15Å; L79-V120 HydrophobicContact CD2-CG2 4.4Å; L79-V120 WeakPolarHBondContact O-CG1 3.43Å; T83-V120 HydrophobicContact CG2-CB 4.36Å; T83-V120 HydrophobicContact CG2-CG1 4.05Å; T83-V120 HydrophobicContact CG2-CG2 4.32Å; T83-V120 WeakPolarHBondContact OG1-CG1 3.23Å; V87-V120 HydrophobicContact CG1-CG2 4.23Å; A91-V120 HydrophobicContact CB-CG2 3.63Å; I117-V120 HydrophobicContact CB-CG2 4.26Å; I117-V120 WeakPolarHBondContact O-CB 3.33Å; I117-V120 WeakPolarHBondContact O-CG2 3.4Å; I117-V120 PolarHBondContact O-N 2.83Å; Y118-V120 PolarHBondContact O-N 3.11Å; Y118-V120 VanDerWaalsContact O-N 3.17Å; V120-F122 PolarHBondContact O-N 3.34Å; V120-Y123 WeakPolarHBondContact O-CB 3.03Å; V120-Y123 PolarHBondContact O-N 3.17Å; V120-Y123 VanDerWaalsContact O-N 3.11Å; V120-K126 HydrophobicContact CG1-CD 3.54Å
121	G	95.7	Very high	98.2	Very high	26 Å²	26	50.9 Å²	50.9	27%	0.268	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	132.8	176.2	0	0	0	0	0	111.1	T83 Y123 K126	T83-G121 PolarHBondContact OG1-N 2.89Å; T83-G121 VanDerWaalsContact OG1-N 3.08Å; G121-Y123 VanDerWaalsContact C-N 3.27Å; G121-Y123 PolarHBondContact O-N 2.88Å; G121-K126 VanDerWaalsContact O-CD 3.29Å; G121-K126 WeakPolarHBondContact O-CD 3.27Å; G121-K126 WeakPolarHBondContact O-CE 3.18Å; G121-K126 PolarHBondContact O-NZ 3.21Å
122	F	97.6	Very high	98.2	Very high	126 Å²	126	54.6 Å²	54.6	55%	0.553	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	33.4	-175.8	-50.1	-82.9	0	0	0	114.3	Q82 V120 K124 T125 K126	Q82-F122 HydrophobicContact CB-CE2 4.35Å; V120-F122 PolarHBondContact O-N 3.34Å; F122-K124 PolarHBondContact O-N 3.39Å; F122-K124 VanDerWaalsContact O-N 3.1Å; F122-T125 PolarHBondContact O-N 3.06Å; F122-T125 VanDerWaalsContact O-N 3.07Å; F122-K126 PolarHBondContact O-N 2.82Å
123	Y	98.2	Very high	98.2	Very high	50 Å²	50	51.5 Å²	51.5	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-50.3	-38	-176	73.4	-83.6	0	0	0	114.2	Q114 I117 Y118 V120 G121 K126 A127	Q114-Y123 HydrophobicContact CB-CD2 3.92Å; Q114-Y123 HydrophobicContact CB-CE2 3.96Å; Q114-Y123 HydrophobicContact CG-CD2 4.09Å; Q114-Y123 HydrophobicContact CG-CE2 4.27Å; I117-Y123 WeakPolarHBondContact O-CB 3.31Å; Y118-Y123 HydrophobicContact CD2-CD1 4.31Å; Y118-Y123 HydrophobicContact CD2-CD2 4.35Å; Y118-Y123 AromaticContact CD2-CE1 3.74Å; Y118-Y123 HydrophobicContact CD2-CE1 3.74Å; Y118-Y123 AromaticContact CD2-CE2 3.77Å; Y118-Y123 HydrophobicContact CD2-CE2 3.77Å; Y118-Y123 AromaticContact CD2-CZ 3.42Å; Y118-Y123 VanDerWaalsContact CD2-CZ 3.42Å; Y118-Y123 AromaticContact CE2-CE1 3.88Å; Y118-Y123 HydrophobicContact CE2-CE1 3.88Å; Y118-Y123 HydrophobicContact CE2-CE2 4.48Å; Y118-Y123 AromaticContact CE2-CZ 3.71Å; Y118-Y123 WeakPolarHBondContact CE2-OH 3.38Å; Y118-Y123 VanDerWaalsContact O-CD1 3.27Å; Y118-Y123 WeakPolarHBondContact O-CD1 3.31Å; V120-Y123 WeakPolarHBondContact O-CB 3.03Å; V120-Y123 PolarHBondContact O-N 3.17Å; V120-Y123 VanDerWaalsContact O-N 3.11Å; G121-Y123 VanDerWaalsContact C-N 3.27Å; G121-Y123 PolarHBondContact O-N 2.88Å; Y123-K126 PolarHBondContact O-N 2.71Å; Y123-A127 WeakPolarHBondContact O-CB 3.15Å; Y123-A127 PolarHBondContact O-N 3.08Å
124	K	98.4	Very high	98.2	Very high	117 Å²	117	51.5 Å²	51.5	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-59.9	-51	177.6	-63.5	-175.3	-179	-179.3	0	112	F122 A127 L128	F122-K124 PolarHBondContact O-N 3.39Å; F122-K124 VanDerWaalsContact O-N 3.1Å; K124-A127 PolarHBondContact O-N 3.08Å; K124-L128 WeakPolarHBondContact O-CG 3.26Å; K124-L128 PolarHBondContact O-N 3.26Å
125	T	98.3	Very high	98.2	Very high	79 Å²	79	53.7 Å²	53.7	49%	0.485	27%	0.265	S	S	.	.	H	α-helix	trans	-65.3	-41	177.9	-53.5	0	0	0	0	111.1	F122 L128 N129	F122-T125 PolarHBondContact O-N 3.06Å; F122-T125 VanDerWaalsContact O-N 3.07Å; T125-L128 PolarHBondContact O-N 3.12Å; T125-N129 PolarHBondContact O-N 3.27Å
126	K	98.5	Very high	98.2	Very high	13 Å²	13	50 Å²	50	6%	0.057	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-41.1	177.9	-73.9	175.6	174.6	171.6	0	112.6	M78 L79 S81 T83 I117 V120 G121 F122 Y123 L128 N129 I130	M78-K126 WeakPolarHBondContact O-CE 3.44Å; L79-K126 HydrophobicContact CD2-CB 4.48Å; L79-K126 HydrophobicContact CD2-CD 4.39Å; L79-K126 PolarHBondContact O-NZ 2.93Å; S81-K126 PolarHBondContact O-NZ 3.2Å; S81-K126 VanDerWaalsContact OG-CE 3.26Å; S81-K126 WeakPolarHBondContact OG-CE 3.37Å; T83-K126 PolarHBondContact OG1-NZ 3.35Å; I117-K126 HydrophobicContact CD1-CB 4.16Å; V120-K126 HydrophobicContact CG1-CD 3.54Å; G121-K126 VanDerWaalsContact O-CD 3.29Å; G121-K126 WeakPolarHBondContact O-CD 3.27Å; G121-K126 WeakPolarHBondContact O-CE 3.18Å; G121-K126 PolarHBondContact O-NZ 3.21Å; F122-K126 PolarHBondContact O-N 2.82Å; Y123-K126 PolarHBondContact O-N 2.71Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 3.36Å; K126-N129 PolarHBondContact O-N 3.2Å; K126-I130 WeakPolarHBondContact O-CB 3.33Å; K126-I130 VanDerWaalsContact O-CG1 3.25Å; K126-I130 WeakPolarHBondContact O-CG1 3.42Å; K126-I130 PolarHBondContact O-N 3.16Å
127	A	98.5	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-43.5	174.9	0	0	0	0	0	111.5	L113 Q114 I117 Y123 K124 I130 K131	L113-A127 HydrophobicContact CD2-CB 3.97Å; L113-A127 HydrophobicContact CG-CB 3.98Å; Q114-A127 HydrophobicContact CG-CB 3.54Å; I117-A127 HydrophobicContact CD1-CB 4.16Å; Y123-A127 WeakPolarHBondContact O-CB 3.15Å; Y123-A127 PolarHBondContact O-N 3.08Å; K124-A127 PolarHBondContact O-N 3.08Å; A127-I130 PolarHBondContact O-N 3.11Å; A127-K131 WeakPolarHBondContact O-CG 3.48Å; A127-K131 PolarHBondContact O-N 3.19Å
128	L	98.2	Very high	98.2	Very high	84 Å²	84	54.8 Å²	54.8	44%	0.44	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-44	175	-68.3	173.5	0	0	0	112	T110 K124 T125 K126 K131 K132	T110-L128 HydrophobicContact CG2-CD2 4.01Å; K124-L128 WeakPolarHBondContact O-CG 3.26Å; K124-L128 PolarHBondContact O-N 3.26Å; T125-L128 PolarHBondContact O-N 3.12Å; K126-L128 VanDerWaalsContact C-N 3.33Å; K126-L128 PolarHBondContact O-N 3.36Å; L128-K131 PolarHBondContact O-N 2.98Å; L128-K132 WeakPolarHBondContact O-CG 3.36Å; L128-K132 PolarHBondContact O-N 2.92Å
129	N	98.5	Very high	98.2	Very high	33 Å²	33	55.1 Å²	55.1	18%	0.176	27%	0.271	C	S	.	.	H	α-helix	trans	-63.6	-43.7	177	-74.3	-4.3	0	0	0	111.7	M78 T125 K126 K131 K132 T133 P156	M78-N129 HydrophobicContact CE-CB 3.86Å; T125-N129 PolarHBondContact O-N 3.27Å; K126-N129 PolarHBondContact O-N 3.2Å; N129-K131 VanDerWaalsContact C-N 3.35Å; N129-K131 PolarHBondContact O-N 3.07Å; N129-K132 PolarHBondContact O-N 2.61Å; N129-T133 WeakPolarHBondContact O-CB 3.48Å; N129-T133 PolarHBondContact O-N 3.1Å; N129-T133 PolarHBondContact O-OG1 3.36Å; N129-T133 VanDerWaalsContact O-OG1 3.06Å; N129-P156 HydrophobicContact CB-CB 4.17Å; N129-P156 HydrophobicContact CB-CG 4.4Å; N129-P156 WeakPolarHBondContact CB-O 3.29Å; N129-P156 WeakPolarHBondContact O-CG 3.42Å
130	I	98.6	Very high	98.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.2	-46.9	176.5	-73	167.4	0	0	0	110.8	I75 M78 L79 L105 L113 I117 K126 A127 T133 C134	I75-I130 HydrophobicContact CD1-CB 4.24Å; I75-I130 HydrophobicContact CD1-CD1 4.4Å; I75-I130 HydrophobicContact CD1-CG1 3.85Å; I75-I130 HydrophobicContact CD1-CG2 3.65Å; I75-I130 HydrophobicContact CG2-CD1 4.15Å; M78-I130 HydrophobicContact CE-CG1 3.92Å; M78-I130 HydrophobicContact SD-CG1 4.31Å; L79-I130 HydrophobicContact CD2-CD1 3.81Å; L79-I130 HydrophobicContact CG-CD1 4.32Å; L105-I130 HydrophobicContact CD1-CG2 4.49Å; L113-I130 HydrophobicContact CD2-CB 4.17Å; L113-I130 HydrophobicContact CD2-CG2 3.85Å; I117-I130 HydrophobicContact CD1-CD1 4.5Å; K126-I130 WeakPolarHBondContact O-CB 3.33Å; K126-I130 VanDerWaalsContact O-CG1 3.25Å; K126-I130 WeakPolarHBondContact O-CG1 3.42Å; K126-I130 PolarHBondContact O-N 3.16Å; A127-I130 PolarHBondContact O-N 3.11Å; I130-T133 PolarHBondContact O-N 3.18Å; I130-C134 PolarHBondContact O-N 3.15Å; I130-C134 PolarHBondContact O-SG 2.64Å
131	K	98.4	Very high	98.2	Very high	27 Å²	27	61 Å²	61	12%	0.117	29%	0.288	C	S	.	.	H	α-helix	trans	-59.1	-51.1	177.6	-75.9	-72.9	-59.5	-169.9	0	111.9	L105 T106 M108 L113 A127 L128 N129 T133 C134 E135	L105-K131 WeakPolarHBondContact O-CD 3.46Å; T106-K131 PolarHBondContact O-NZ 3.07Å; M108-K131 PolarHBondContact O-NZ 3.27Å; L113-K131 HydrophobicContact CD2-CD 4.44Å; L113-K131 HydrophobicContact CD2-CG 4.05Å; A127-K131 WeakPolarHBondContact O-CG 3.48Å; A127-K131 PolarHBondContact O-N 3.19Å; L128-K131 PolarHBondContact O-N 2.98Å; N129-K131 VanDerWaalsContact C-N 3.35Å; N129-K131 PolarHBondContact O-N 3.07Å; K131-T133 VanDerWaalsContact C-N 3.33Å; K131-T133 PolarHBondContact O-N 3.37Å; K131-C134 WeakPolarHBondContact O-CB 3.18Å; K131-C134 PolarHBondContact O-N 3.31Å; K131-C134 VanDerWaalsContact O-N 3.13Å; K131-E135 WeakPolarHBondContact O-CG 3.42Å; K131-E135 PolarHBondContact O-N 3.43Å
132	K	98.4	Very high	98.3	Very high	114 Å²	114	65.7 Å²	65.7	50%	0.496	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-41	177.3	-72.1	178.2	179	-175.4	0	112.3	L128 N129 E135 I136 P156	L128-K132 WeakPolarHBondContact O-CG 3.36Å; L128-K132 PolarHBondContact O-N 2.92Å; N129-K132 PolarHBondContact O-N 2.61Å; K132-E135 PolarHBondContact O-N 2.98Å; K132-I136 WeakPolarHBondContact O-CD1 3.28Å; K132-I136 VanDerWaalsContact O-CG1 3.28Å; K132-I136 WeakPolarHBondContact O-CG1 3.39Å; K132-I136 PolarHBondContact O-N 3.13Å; K132-P156 HydrophobicContact CB-CG 3.81Å
133	T	98.7	Very high	98.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.2	-50.2	173	-68.6	0	0	0	0	109.9	L74 M78 N129 I130 K131 E135 I136 L137 L155 P156	L74-T133 HydrophobicContact CD2-CG2 3.94Å; M78-T133 HydrophobicContact SD-CG2 4.42Å; N129-T133 WeakPolarHBondContact O-CB 3.48Å; N129-T133 PolarHBondContact O-N 3.1Å; N129-T133 PolarHBondContact O-OG1 3.36Å; N129-T133 VanDerWaalsContact O-OG1 3.06Å; I130-T133 PolarHBondContact O-N 3.18Å; K131-T133 VanDerWaalsContact C-N 3.33Å; K131-T133 PolarHBondContact O-N 3.37Å; T133-E135 VanDerWaalsContact C-N 3.29Å; T133-E135 PolarHBondContact O-N 2.89Å; T133-I136 PolarHBondContact O-N 3.49Å; T133-I136 VanDerWaalsContact O-N 3.11Å; T133-L137 HydrophobicContact CG2-CD1 4.16Å; T133-L137 HydrophobicContact CG2-CD2 4.39Å; T133-L137 HydrophobicContact CG2-CG 4.07Å; T133-L137 VanDerWaalsContact O-CG 3.28Å; T133-L137 WeakPolarHBondContact O-CG 3.42Å; T133-L137 PolarHBondContact O-N 3.11Å; T133-L155 HydrophobicContact CG2-CD1 4.07Å; T133-L155 HydrophobicContact CG2-CD2 4.34Å; T133-P156 WeakPolarHBondContact OG1-CD 3.1Å; T133-P156 WeakPolarHBondContact OG1-CG 3.24Å
134	C	98.5	Very high	98.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-57.7	-41.4	180	-66	0	0	0	0	112.7	L102 I130 K131 L137 K138	L102-C134 HydrophobicContact CD1-CB 3.72Å; I130-C134 PolarHBondContact O-N 3.15Å; I130-C134 PolarHBondContact O-SG 2.64Å; K131-C134 WeakPolarHBondContact O-CB 3.18Å; K131-C134 PolarHBondContact O-N 3.31Å; K131-C134 VanDerWaalsContact O-N 3.13Å; C134-L137 PolarHBondContact O-N 3.3Å; C134-K138 WeakPolarHBondContact O-CB 3.49Å; C134-K138 PolarHBondContact O-N 2.88Å; C134-K138 VanDerWaalsContact O-N 3.07Å
135	E	98.2	Very high	98.3	Very high	88 Å²	88	55.3 Å²	55.3	41%	0.411	27%	0.27	S	S	.	.	H	α-helix	trans	-60.2	-50.4	174.1	-70.2	163	-175.3	0	0	111.2	K131 K132 T133 L137 K138 E139	K131-E135 WeakPolarHBondContact O-CG 3.42Å; K131-E135 PolarHBondContact O-N 3.43Å; K132-E135 PolarHBondContact O-N 2.98Å; T133-E135 VanDerWaalsContact C-N 3.29Å; T133-E135 PolarHBondContact O-N 2.89Å; E135-L137 VanDerWaalsContact C-N 3.35Å; E135-L137 PolarHBondContact O-N 2.87Å; E135-K138 PolarHBondContact O-N 3.44Å; E135-E139 WeakPolarHBondContact O-CG 3.48Å; E135-E139 PolarHBondContact O-N 3.49Å
136	I	98.6	Very high	98.3	Very high	42 Å²	42	51.7 Å²	51.7	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-44.3	177.3	-68.4	163.5	0	0	0	111.7	K132 T133 K138 E139 K140 Y141 L155	K132-I136 WeakPolarHBondContact O-CD1 3.28Å; K132-I136 VanDerWaalsContact O-CG1 3.28Å; K132-I136 WeakPolarHBondContact O-CG1 3.39Å; K132-I136 PolarHBondContact O-N 3.13Å; T133-I136 PolarHBondContact O-N 3.49Å; T133-I136 VanDerWaalsContact O-N 3.11Å; I136-K138 VanDerWaalsContact C-N 3.33Å; I136-K138 PolarHBondContact O-N 3.05Å; I136-E139 PolarHBondContact O-N 3.04Å; I136-K140 HydrophobicContact CG2-CD 4.39Å; I136-K140 WeakPolarHBondContact O-CB 3.44Å; I136-K140 PolarHBondContact O-N 3.19Å; I136-Y141 HydrophobicContact CG2-CD2 4.06Å; I136-Y141 HydrophobicContact CG2-CE2 3.8Å; I136-L155 HydrophobicContact CB-CD2 4.3Å; I136-L155 HydrophobicContact CD1-CD2 4.43Å; I136-L155 HydrophobicContact CG2-CD2 3.73Å
137	L	98.7	Very high	98.3	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-41	-179.7	-61.3	-168.3	0	0	0	111.5	L71 L74 L102 T133 C134 E135 Y141 N142 S143 D144 I145 L155	L71-L137 HydrophobicContact CD1-CD1 3.87Å; L74-L137 HydrophobicContact CD2-CD1 4.48Å; L102-L137 HydrophobicContact CD1-CB 4.22Å; L102-L137 HydrophobicContact CD1-CD1 4.33Å; T133-L137 HydrophobicContact CG2-CD1 4.16Å; T133-L137 HydrophobicContact CG2-CD2 4.39Å; T133-L137 HydrophobicContact CG2-CG 4.07Å; T133-L137 VanDerWaalsContact O-CG 3.28Å; T133-L137 WeakPolarHBondContact O-CG 3.42Å; T133-L137 PolarHBondContact O-N 3.11Å; C134-L137 PolarHBondContact O-N 3.3Å; E135-L137 VanDerWaalsContact C-N 3.35Å; E135-L137 PolarHBondContact O-N 2.87Å; L137-Y141 HydrophobicContact CD2-CD2 4Å; L137-Y141 CarbonylContact O-C 3.41Å; L137-Y141 PolarHBondContact O-N 2.76Å; L137-Y141 VanDerWaalsContact O-N 3.13Å; L137-N142 PolarHBondContact O-N 2.9Å; L137-S143 WeakPolarHBondContact O-CA 3.1Å; L137-S143 PolarHBondContact O-N 3.02Å; L137-D144 WeakPolarHBondContact CD2-O 3.22Å; L137-I145 HydrophobicContact CD1-CG2 3.9Å; L137-L155 HydrophobicContact CD2-CD1 4.2Å; L137-L155 HydrophobicContact CD2-CD2 4.1Å
138	K	97.8	Very high	98.3	Very high	131 Å²	131	58.6 Å²	58.6	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-64.2	-42.5	177.5	-173.7	179.7	177.7	-176	0	111.6	L102 C134 E135 I136	L102-K138 HydrophobicContact CD2-CB 4.37Å; C134-K138 WeakPolarHBondContact O-CB 3.49Å; C134-K138 PolarHBondContact O-N 2.88Å; C134-K138 VanDerWaalsContact O-N 3.07Å; E135-K138 PolarHBondContact O-N 3.44Å; I136-K138 VanDerWaalsContact C-N 3.33Å; I136-K138 PolarHBondContact O-N 3.05Å
139	E	97.9	Very high	98.3	Very high	150 Å²	150	55.2 Å²	55.2	70%	0.701	27%	0.266	S	S	*	.	H	α-helix	trans	-79.6	-39.2	-174.8	-70.6	174	-177.3	0	0	113.8	E135 I136	E135-E139 WeakPolarHBondContact O-CG 3.48Å; E135-E139 PolarHBondContact O-N 3.49Å; I136-E139 PolarHBondContact O-N 3.04Å
140	K	98.2	Very high	98.3	Very high	150 Å²	150	60.2 Å²	60.2	65%	0.652	29%	0.289	S	S	*	.	H	α-helix	trans	-114.8	-23.8	-166.8	-60.6	-171.7	-178.9	-178.7	0	114.9	I136	I136-K140 HydrophobicContact CG2-CD 4.39Å; I136-K140 WeakPolarHBondContact O-CB 3.44Å; I136-K140 PolarHBondContact O-N 3.19Å
141	Y	98.3	Very high	98.3	Very high	49 Å²	49	63.5 Å²	63.5	19%	0.192	30%	0.304	C	S	.	.	S	Bend	trans	-121.7	26.8	-169.1	-63	-75.6	0	0	0	113.1	I136 L137 S143 D144 P146 E151	I136-Y141 HydrophobicContact CG2-CD2 4.06Å; I136-Y141 HydrophobicContact CG2-CE2 3.8Å; L137-Y141 HydrophobicContact CD2-CD2 4Å; L137-Y141 CarbonylContact O-C 3.41Å; L137-Y141 PolarHBondContact O-N 2.76Å; L137-Y141 VanDerWaalsContact O-N 3.13Å; Y141-S143 PolarHBondContact O-N 3.26Å; Y141-S143 VanDerWaalsContact O-N 3.11Å; Y141-D144 WeakPolarHBondContact CB-O 3.27Å; Y141-D144 PolarHBondContact O-N 2.68Å; Y141-P146 HydrophobicContact CD1-CB 4.08Å; Y141-P146 HydrophobicContact CD1-CG 3.97Å; Y141-P146 HydrophobicContact CD2-CG 4.09Å; Y141-P146 HydrophobicContact CE1-CB 3.78Å; Y141-P146 HydrophobicContact CE1-CG 3.74Å; Y141-P146 HydrophobicContact CE2-CG 3.85Å; Y141-P146 HydrophobicContact CG-CG 4.14Å; Y141-E151 HydrophobicContact CE1-CB 4.47Å
142	N	97.3	Very high	98.4	Very high	125 Å²	125	62.2 Å²	62.2	67%	0.668	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	42.2	179.2	-173.8	27.4	0	0	0	112.3	K67 L137 D144	K67-N142 PolarHBondContact NZ-ND2 3.34Å; K67-N142 PolarHBondContact NZ-O 3.43Å; L137-N142 PolarHBondContact O-N 2.9Å; N142-D144 PolarHBondContact O-N 3.02Å
143	S	97.9	Very high	98.4	Very high	51 Å²	51	59 Å²	59	36%	0.357	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	26.9	-178.5	-58.7	0	0	0	0	115.2	L102 L137 Y141	L102-S143 VanDerWaalsContact CD2-CA 3.48Å; L137-S143 WeakPolarHBondContact O-CA 3.1Å; L137-S143 PolarHBondContact O-N 3.02Å; Y141-S143 PolarHBondContact O-N 3.26Å; Y141-S143 VanDerWaalsContact O-N 3.11Å
144	D	98.6	Very high	98.4	Very high	19 Å²	19	63.5 Å²	63.5	10%	0.102	32%	0.317	C	S	.	.	S	Bend	trans	-122.8	168.9	173.1	-153.7	-11.2	0	0	0	110.4	K67 R70 L137 Y141 N142	K67-D144 HydrophobicContact CD-CB 4.01Å; K67-D144 HydrophobicContact CG-CB 4.16Å; R70-D144 IonicContact CZ-OD1 3.34Å; R70-D144 IonicContact CZ-OD2 2.61Å; R70-D144 IonicContact NE-OD1 3.25Å; R70-D144 PolarHBondContact NE-OD1 3.22Å; R70-D144 IonicContact NE-OD2 3.89Å; R70-D144 PolarHBondContact NE-OD2 3.24Å; R70-D144 IonicContact NH2-OD1 2.87Å; R70-D144 IonicContact NH2-OD2 2.66Å; R70-D144 PolarHBondContact NH2-OD2 3.37Å; L137-D144 WeakPolarHBondContact CD2-O 3.22Å; Y141-D144 WeakPolarHBondContact CB-O 3.27Å; Y141-D144 PolarHBondContact O-N 2.68Å; N142-D144 PolarHBondContact O-N 3.02Å
145	I	98.7	Very high	98.4	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.026	32%	0.318	C	S	.	.			trans	-77.6	155.9	171.4	72	170.6	0	0	0	110.2	R70 L74 L137 L152 A170 W171	R70-I145 HydrophobicContact CB-CD1 3.88Å; R70-I145 HydrophobicContact CB-CG1 3.98Å; L74-I145 HydrophobicContact CB-CG2 4.04Å; L74-I145 HydrophobicContact CD2-CB 4.22Å; L74-I145 HydrophobicContact CD2-CG2 3.59Å; L74-I145 HydrophobicContact CG-CG2 4.46Å; L137-I145 HydrophobicContact CD1-CG2 3.9Å; I145-L152 HydrophobicContact CB-CD2 4.47Å; I145-L152 HydrophobicContact CD1-CD2 4.46Å; I145-A170 HydrophobicContact CD1-CB 3.68Å; I145-W171 HydrophobicContact CG1-CZ2 3.99Å; I145-W171 WeakPolarHBondContact O-CZ2 3.31Å
146	P	98.6	Very high	98.4	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.013	31%	0.308	C	S	.	.			trans	-62	154.5	173.5	-17.5	27.7	0	0	0	113.1	Y141 E151 L152 L155 W171	Y141-P146 HydrophobicContact CD1-CB 4.08Å; Y141-P146 HydrophobicContact CD1-CG 3.97Å; Y141-P146 HydrophobicContact CD2-CG 4.09Å; Y141-P146 HydrophobicContact CE1-CB 3.78Å; Y141-P146 HydrophobicContact CE1-CG 3.74Å; Y141-P146 HydrophobicContact CE2-CG 3.85Å; Y141-P146 HydrophobicContact CG-CG 4.14Å; P146-E151 HydrophobicContact CB-CB 3.43Å; P146-E151 VanDerWaalsContact CB-CB 3.43Å; P146-E151 HydrophobicContact CG-CB 4.09Å; P146-L152 HydrophobicContact CB-CD2 4.42Å; P146-L152 HydrophobicContact CB-CG 4.18Å; P146-L152 HydrophobicContact CG-CD2 4.29Å; P146-L152 HydrophobicContact CG-CG 4.45Å; P146-L155 HydrophobicContact CG-CD1 4.18Å; P146-L155 HydrophobicContact CG-CG 4.5Å; P146-W171 PolarHBondContact O-NE1 3.46Å
147	E	98	Very high	98.3	Very high	110 Å²	110	61.2 Å²	61.2	51%	0.514	32%	0.322	S	S	.	.	S	Bend	trans	-106.3	12.1	-175.6	64.9	173.3	-177.5	0	0	114.2	M167 W171	E147-M167 WeakPolarHBondContact O-CE 3.39Å; E147-W171 HydrophobicContact CB-CD2 4.44Å; E147-W171 HydrophobicContact CB-CZ2 3.98Å
148	T	98.6	Very high	98.3	Very high	49 Å²	49	61.5 Å²	61.5	30%	0.301	32%	0.324	S	S	.	.	S	Bend	trans	-130.6	154.8	174.3	69.1	0	0	0	0	111.4	E150 E151 L152	T148-E150 VanDerWaalsContact C-N 3.32Å; T148-E151 VanDerWaalsContact OG1-CB 3.29Å; T148-E151 WeakPolarHBondContact OG1-CB 3.41Å; T148-E151 VanDerWaalsContact OG1-CD 3.26Å; T148-E151 WeakPolarHBondContact OG1-CG 3.48Å; T148-E151 PolarHBondContact OG1-N 2.83Å; T148-E151 PolarHBondContact OG1-OE2 2.77Å; T148-L152 WeakPolarHBondContact O-CB 3.34Å; T148-L152 WeakPolarHBondContact O-CD1 3.34Å; T148-L152 VanDerWaalsContact O-CG 3.28Å; T148-L152 WeakPolarHBondContact O-CG 3.28Å; T148-L152 PolarHBondContact O-N 2.97Å
149	V	98.5	Very high	98.3	Very high	12 Å²	12	56.6 Å²	56.6	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-40.1	-179.2	172	0	0	0	0	110.5	L152 C153 A163 Y164 M167 T175	V149-L152 PolarHBondContact O-N 3.38Å; V149-C153 WeakPolarHBondContact O-CB 3.36Å; V149-C153 PolarHBondContact O-N 3.1Å; V149-C153 PolarHBondContact O-SG 3.26Å; V149-A163 HydrophobicContact CB-CB 4.42Å; V149-A163 HydrophobicContact CG1-CB 3.83Å; V149-Y164 HydrophobicContact CB-CE1 4.34Å; V149-Y164 HydrophobicContact CG1-CD1 4.28Å; V149-Y164 HydrophobicContact CG1-CE1 3.85Å; V149-Y164 HydrophobicContact CG1-CE2 4.31Å; V149-Y164 HydrophobicContact CG2-CD1 3.73Å; V149-Y164 HydrophobicContact CG2-CE1 3.69Å; V149-M167 HydrophobicContact CG2-CG 3.75Å; V149-T175 VanDerWaalsContact CG2-OG1 3.31Å; V149-T175 WeakPolarHBondContact CG2-OG1 3.45Å
150	E	98.6	Very high	98.3	Very high	139 Å²	139	52 Å²	52	65%	0.65	29%	0.293	S	S	*	.	H	α-helix	trans	-60.6	-49.7	-179.2	-64.6	71.3	-158.8	0	0	110.2	T148 C153 T154	T148-E150 VanDerWaalsContact C-N 3.32Å; E150-C153 PolarHBondContact O-N 3.32Å; E150-T154 WeakPolarHBondContact O-CG2 3.48Å; E150-T154 PolarHBondContact O-N 2.93Å
151	E	98.8	Very high	98.2	Very high	68 Å²	68	46.9 Å²	46.9	32%	0.318	27%	0.271	S	S	.	.	H	α-helix	trans	-68.6	-40.6	178.7	-67.4	172.7	124.6	0	0	112.3	Y141 P146 T148 C153 T154	Y141-E151 HydrophobicContact CE1-CB 4.47Å; P146-E151 HydrophobicContact CB-CB 3.43Å; P146-E151 VanDerWaalsContact CB-CB 3.43Å; P146-E151 HydrophobicContact CG-CB 4.09Å; T148-E151 VanDerWaalsContact OG1-CB 3.29Å; T148-E151 WeakPolarHBondContact OG1-CB 3.41Å; T148-E151 VanDerWaalsContact OG1-CD 3.26Å; T148-E151 WeakPolarHBondContact OG1-CG 3.48Å; T148-E151 PolarHBondContact OG1-N 2.83Å; T148-E151 PolarHBondContact OG1-OE2 2.77Å; E151-C153 PolarHBondContact O-N 3.4Å; E151-T154 WeakPolarHBondContact O-CB 3.19Å; E151-T154 PolarHBondContact O-N 2.82Å; E151-T154 PolarHBondContact O-OG1 3.21Å
152	L	98.9	Very high	98.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.4	-39.8	174.6	-79.2	164.3	0	0	0	111.5	L74 I145 P146 T148 V149 T154 L155 V158 A163 A166 M167	L74-L152 HydrophobicContact CD1-CD2 4.37Å; I145-L152 HydrophobicContact CB-CD2 4.47Å; I145-L152 HydrophobicContact CD1-CD2 4.46Å; P146-L152 HydrophobicContact CB-CD2 4.42Å; P146-L152 HydrophobicContact CB-CG 4.18Å; P146-L152 HydrophobicContact CG-CD2 4.29Å; P146-L152 HydrophobicContact CG-CG 4.45Å; T148-L152 WeakPolarHBondContact O-CB 3.34Å; T148-L152 WeakPolarHBondContact O-CD1 3.34Å; T148-L152 VanDerWaalsContact O-CG 3.28Å; T148-L152 WeakPolarHBondContact O-CG 3.28Å; T148-L152 PolarHBondContact O-N 2.97Å; V149-L152 PolarHBondContact O-N 3.38Å; L152-T154 PolarHBondContact O-N 2.85Å; L152-L155 HydrophobicContact CD2-CD1 4.25Å; L152-L155 WeakPolarHBondContact O-CB 3.18Å; L152-L155 PolarHBondContact O-N 3.27Å; L152-L155 VanDerWaalsContact O-N 3.15Å; L152-V158 WeakPolarHBondContact O-CB 2.77Å; L152-V158 WeakPolarHBondContact O-CG1 3.31Å; L152-A163 HydrophobicContact CB-CB 3.67Å; L152-A163 HydrophobicContact CD1-CB 4.27Å; L152-A166 HydrophobicContact CD1-CB 3.97Å; L152-A166 HydrophobicContact CD2-CB 4.4Å; L152-M167 HydrophobicContact CD1-CG 3.95Å; L152-M167 HydrophobicContact CD1-SD 3.72Å
153	C	98.5	Very high	98.3	Very high	47 Å²	47	39.4 Å²	39.4	32%	0.318	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-11.7	177.3	-68.9	0	0	0	0	114	V149 E150 E151 L155 A163	V149-C153 WeakPolarHBondContact O-CB 3.36Å; V149-C153 PolarHBondContact O-N 3.1Å; V149-C153 PolarHBondContact O-SG 3.26Å; E150-C153 PolarHBondContact O-N 3.32Å; E151-C153 PolarHBondContact O-N 3.4Å; C153-L155 VanDerWaalsContact C-N 3.29Å; C153-A163 VanDerWaalsContact SG-CB 3.56Å
154	T	98.5	Very high	98.3	Very high	94 Å²	94	38.2 Å²	38.2	58%	0.577	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.2	171.8	73.4	0	0	0	0	112.7	E150 E151 L152	E150-T154 WeakPolarHBondContact O-CG2 3.48Å; E150-T154 PolarHBondContact O-N 2.93Å; E151-T154 WeakPolarHBondContact O-CB 3.19Å; E151-T154 PolarHBondContact O-N 2.82Å; E151-T154 PolarHBondContact O-OG1 3.21Å; L152-T154 PolarHBondContact O-N 2.85Å
155	L	98.7	Very high	98.3	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	22%	0.217	C	C	.	.	S	Bend	trans	-72.4	141.9	179.9	-60.4	177.5	0	0	0	111	L74 T133 I136 L137 P146 L152 C153 G157 V158	L74-L155 HydrophobicContact CD2-CD1 3.73Å; T133-L155 HydrophobicContact CG2-CD1 4.07Å; T133-L155 HydrophobicContact CG2-CD2 4.34Å; I136-L155 HydrophobicContact CB-CD2 4.3Å; I136-L155 HydrophobicContact CD1-CD2 4.43Å; I136-L155 HydrophobicContact CG2-CD2 3.73Å; L137-L155 HydrophobicContact CD2-CD1 4.2Å; L137-L155 HydrophobicContact CD2-CD2 4.1Å; P146-L155 HydrophobicContact CG-CD1 4.18Å; P146-L155 HydrophobicContact CG-CG 4.5Å; L152-L155 HydrophobicContact CD2-CD1 4.25Å; L152-L155 WeakPolarHBondContact O-CB 3.18Å; L152-L155 PolarHBondContact O-N 3.27Å; L152-L155 VanDerWaalsContact O-N 3.15Å; C153-L155 VanDerWaalsContact C-N 3.29Å; L155-G157 PolarHBondContact O-N 3.13Å; L155-G157 VanDerWaalsContact O-N 3.16Å; L155-V158 HydrophobicContact CB-CB 4.08Å; L155-V158 HydrophobicContact CB-CG2 3.71Å; L155-V158 PolarHBondContact O-N 3.18Å; L155-V158 VanDerWaalsContact O-N 3.07Å
156	P	98.2	Very high	98.3	Very high	29 Å²	29	37 Å²	37	19%	0.188	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	120.8	-174.2	24.3	-34.3	0	0	0	112	M78 N129 K132 T133 V158	M78-P156 WeakPolarHBondContact CE-O 3.44Å; N129-P156 HydrophobicContact CB-CB 4.17Å; N129-P156 HydrophobicContact CB-CG 4.4Å; N129-P156 WeakPolarHBondContact CB-O 3.29Å; N129-P156 WeakPolarHBondContact O-CG 3.42Å; K132-P156 HydrophobicContact CB-CG 3.81Å; T133-P156 WeakPolarHBondContact OG1-CD 3.1Å; T133-P156 WeakPolarHBondContact OG1-CG 3.24Å; P156-V158 VanDerWaalsContact C-N 3.31Å; P156-V158 PolarHBondContact O-N 3.34Å
157	G	97.8	Very high	98.3	Very high	50 Å²	50	37.1 Å²	37.1	52%	0.515	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	4.6	179.3	0	0	0	0	0	115.3	L155	L155-G157 PolarHBondContact O-N 3.13Å; L155-G157 VanDerWaalsContact O-N 3.16Å
158	V	98.4	Very high	98.3	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.055	20%	0.198	C	C	.	.			trans	-94.2	114.8	176	-177.8	0	0	0	0	109.2	L74 M78 L152 L155 P156 M162	L74-V158 HydrophobicContact CD1-CG2 4.02Å; M78-V158 HydrophobicContact CG-CG2 3.97Å; M78-V158 HydrophobicContact SD-CG2 4.26Å; L152-V158 WeakPolarHBondContact O-CB 2.77Å; L152-V158 WeakPolarHBondContact O-CG1 3.31Å; L155-V158 HydrophobicContact CB-CB 4.08Å; L155-V158 HydrophobicContact CB-CG2 3.71Å; L155-V158 PolarHBondContact O-N 3.18Å; L155-V158 VanDerWaalsContact O-N 3.07Å; P156-V158 VanDerWaalsContact C-N 3.31Å; P156-V158 PolarHBondContact O-N 3.34Å; V158-M162 HydrophobicContact CG1-CB 3.9Å
159	G	97.2	Very high	98.3	Very high	28 Å²	28	31.5 Å²	31.5	29%	0.289	19%	0.188	S	C	.	.			trans	-104	175.7	175.2	0	0	0	0	0	113.1	K161 M162 A163	G159-K161 PolarHBondContact O-N 3.21Å; G159-M162 WeakPolarHBondContact O-CA 3.48Å; G159-M162 WeakPolarHBondContact O-CB 3.42Å; G159-M162 PolarHBondContact O-N 3.25Å; G159-A163 PolarHBondContact O-N 3.39Å
160	P	97.5	Very high	98.2	Very high	52 Å²	52	31.2 Å²	31.2	34%	0.338	19%	0.187	S	C	.	.	H	α-helix	trans	-51.2	-47.1	-174.6	-29.9	35.2	0	0	0	114.2	M162 A163 Y164	P160-M162 VanDerWaalsContact C-N 3.28Å; P160-M162 PolarHBondContact O-N 2.91Å; P160-A163 PolarHBondContact O-N 2.92Å; P160-A163 VanDerWaalsContact O-N 3.11Å; P160-Y164 HydrophobicContact CB-CD2 4.39Å; P160-Y164 HydrophobicContact CB-CE2 4.02Å; P160-Y164 WeakPolarHBondContact O-CD2 3.31Å; P160-Y164 PolarHBondContact O-N 2.94Å
161	K	97.7	Very high	98.2	Very high	43 Å²	43	27 Å²	27	19%	0.187	17%	0.165	C	C	.	.	H	α-helix	trans	-53	-45.5	176	179.9	-86.8	-171.4	-170	0	112.2	G159 L165 V179 D180	G159-K161 PolarHBondContact O-N 3.21Å; K161-L165 HydrophobicContact CD-CD1 3.7Å; K161-L165 HydrophobicContact CD-CG 4.49Å; K161-L165 HydrophobicContact CG-CD1 4.45Å; K161-L165 WeakPolarHBondContact O-CG 3.5Å; K161-L165 PolarHBondContact O-N 2.93Å; K161-V179 WeakPolarHBondContact CB-O 3.49Å; K161-V179 WeakPolarHBondContact CG-O 3.31Å; K161-D180 HydrophobicContact CG-CB 4.29Å
162	M	98.2	Very high	98.2	Very high	17 Å²	17	30.1 Å²	30.1	8%	0.084	18%	0.177	C	C	.	.	H	α-helix	trans	-68.6	-42.4	-179.5	-64.2	179.3	-173.4	0	0	110.7	L77 S81 V158 G159 P160 L165 A166	L77-M162 HydrophobicContact CB-CB 4.3Å; L77-M162 HydrophobicContact CB-CG 4.28Å; L77-M162 WeakPolarHBondContact O-CE 3.35Å; S81-M162 VanDerWaalsContact CB-CE 3.45Å; V158-M162 HydrophobicContact CG1-CB 3.9Å; G159-M162 WeakPolarHBondContact O-CA 3.48Å; G159-M162 WeakPolarHBondContact O-CB 3.42Å; G159-M162 PolarHBondContact O-N 3.25Å; P160-M162 VanDerWaalsContact C-N 3.28Å; P160-M162 PolarHBondContact O-N 2.91Å; M162-L165 PolarHBondContact O-N 3.11Å; M162-A166 WeakPolarHBondContact O-CB 3.01Å; M162-A166 PolarHBondContact O-N 3.03Å
163	A	98.6	Very high	98.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-45.7	179.3	0	0	0	0	0	112.2	V149 L152 C153 G159 P160 L165 A166 M167	V149-A163 HydrophobicContact CB-CB 4.42Å; V149-A163 HydrophobicContact CG1-CB 3.83Å; L152-A163 HydrophobicContact CB-CB 3.67Å; L152-A163 HydrophobicContact CD1-CB 4.27Å; C153-A163 VanDerWaalsContact SG-CB 3.56Å; G159-A163 PolarHBondContact O-N 3.39Å; P160-A163 PolarHBondContact O-N 2.92Å; P160-A163 VanDerWaalsContact O-N 3.11Å; A163-L165 PolarHBondContact O-N 3.04Å; A163-A166 PolarHBondContact O-N 3.12Å; A163-M167 WeakPolarHBondContact O-CG 3.28Å; A163-M167 PolarHBondContact O-N 2.81Å
164	Y	98.5	Very high	98.1	Very high	26 Å²	26	34.6 Å²	34.6	10%	0.102	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-43.8	176.1	-69.6	-61.2	0	0	0	112.7	V149 P160 M167 Q168 T175 G176 R204	V149-Y164 HydrophobicContact CB-CE1 4.34Å; V149-Y164 HydrophobicContact CG1-CD1 4.28Å; V149-Y164 HydrophobicContact CG1-CE1 3.85Å; V149-Y164 HydrophobicContact CG1-CE2 4.31Å; V149-Y164 HydrophobicContact CG2-CD1 3.73Å; V149-Y164 HydrophobicContact CG2-CE1 3.69Å; P160-Y164 HydrophobicContact CB-CD2 4.39Å; P160-Y164 HydrophobicContact CB-CE2 4.02Å; P160-Y164 WeakPolarHBondContact O-CD2 3.31Å; P160-Y164 PolarHBondContact O-N 2.94Å; Y164-M167 PolarHBondContact O-N 3.2Å; Y164-Q168 WeakPolarHBondContact O-CB 3.33Å; Y164-Q168 PolarHBondContact O-N 3.4Å; Y164-T175 WeakPolarHBondContact CD1-OG1 3.2Å; Y164-G176 VanDerWaalsContact CD1-CA 3.43Å; Y164-R204 VanDerWaalsContact OH-CZ 3.22Å; Y164-R204 PolarHBondContact OH-NH1 3Å; Y164-R204 PolarHBondContact OH-NH2 3.33Å
165	L	98.2	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.9	-34.2	176.9	-67.3	-178.7	0	0	0	112.6	E57 L77 K161 M162 A163 Q168 C169 N220	E57-L165 HydrophobicContact CG-CD1 4.4Å; E57-L165 VanDerWaalsContact OE1-CD1 3.27Å; E57-L165 WeakPolarHBondContact OE1-CD1 3.31Å; E57-L165 WeakPolarHBondContact OE1-CD2 3.33Å; L77-L165 HydrophobicContact CD1-CB 4.22Å; L77-L165 HydrophobicContact CD2-CB 3.77Å; L77-L165 HydrophobicContact CD2-CD1 3.8Å; L77-L165 HydrophobicContact CD2-CG 4.49Å; K161-L165 HydrophobicContact CD-CD1 3.7Å; K161-L165 HydrophobicContact CD-CG 4.49Å; K161-L165 HydrophobicContact CG-CD1 4.45Å; K161-L165 WeakPolarHBondContact O-CG 3.5Å; K161-L165 PolarHBondContact O-N 2.93Å; M162-L165 PolarHBondContact O-N 3.11Å; A163-L165 PolarHBondContact O-N 3.04Å; L165-Q168 PolarHBondContact O-N 2.7Å; L165-C169 VanDerWaalsContact O-CB 3.31Å; L165-C169 WeakPolarHBondContact O-CB 3.44Å; L165-C169 PolarHBondContact O-N 2.95Å; L165-C169 PolarHBondContact O-SG 3.36Å; L165-N220 HydrophobicContact CD2-CB 4.23Å
166	A	98.5	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-46.1	172.5	0	0	0	0	0	110.5	L77 L152 M162 A163 Q168 C169 A170 W171	L77-A166 HydrophobicContact CD1-CB 3.77Å; L152-A166 HydrophobicContact CD1-CB 3.97Å; L152-A166 HydrophobicContact CD2-CB 4.4Å; M162-A166 WeakPolarHBondContact O-CB 3.01Å; M162-A166 PolarHBondContact O-N 3.03Å; A163-A166 PolarHBondContact O-N 3.12Å; A166-Q168 VanDerWaalsContact C-N 3.3Å; A166-Q168 PolarHBondContact O-N 3.35Å; A166-C169 PolarHBondContact O-N 2.82Å; A166-A170 WeakPolarHBondContact O-CA 3.44Å; A166-A170 WeakPolarHBondContact O-CB 3.36Å; A166-A170 PolarHBondContact O-N 3.46Å; A166-W171 PolarHBondContact O-N 2.83Å
167	M	98.7	Very high	98	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-57	-44.1	173.8	-69.7	-52.4	-60.1	0	0	112.1	E147 V149 L152 A163 Y164 W171 K172 K173 T175	E147-M167 WeakPolarHBondContact O-CE 3.39Å; V149-M167 HydrophobicContact CG2-CG 3.75Å; L152-M167 HydrophobicContact CD1-CG 3.95Å; L152-M167 HydrophobicContact CD1-SD 3.72Å; A163-M167 WeakPolarHBondContact O-CG 3.28Å; A163-M167 PolarHBondContact O-N 2.81Å; Y164-M167 PolarHBondContact O-N 3.2Å; M167-W171 HydrophobicContact CE-CB 4.05Å; M167-W171 HydrophobicContact CE-CG 4.17Å; M167-W171 CarbonylContact O-C 3.4Å; M167-W171 WeakPolarHBondContact O-CA 3.46Å; M167-W171 WeakPolarHBondContact O-CB 3.49Å; M167-W171 PolarHBondContact O-N 3.25Å; M167-W171 HydrophobicContact SD-CG 4.29Å; M167-K172 PolarHBondContact O-N 2.93Å; M167-K172 VanDerWaalsContact O-N 3.13Å; M167-K173 CarbonylContact C-O 3.11Å; M167-K173 HydrophobicContact CE-CB 4.15Å; M167-K173 HydrophobicContact CE-CD 4.02Å; M167-K173 PolarHBondContact O-N 3.11Å; M167-T175 HydrophobicContact CB-CG2 4.08Å; M167-T175 WeakPolarHBondContact CB-OG1 3.38Å; M167-T175 HydrophobicContact CE-CG2 4.01Å; M167-T175 HydrophobicContact CG-CG2 4.16Å
168	Q	97.9	Very high	98	Very high	28 Å²	28	29 Å²	29	13%	0.131	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-50.3	179	-179.1	177.9	-28.7	0	0	112.5	Y164 L165 A166 K172 K173 D217	Y164-Q168 WeakPolarHBondContact O-CB 3.33Å; Y164-Q168 PolarHBondContact O-N 3.4Å; L165-Q168 PolarHBondContact O-N 2.7Å; A166-Q168 VanDerWaalsContact C-N 3.3Å; A166-Q168 PolarHBondContact O-N 3.35Å; Q168-K172 WeakPolarHBondContact O-CA 3.49Å; Q168-K172 PolarHBondContact O-N 2.88Å; Q168-K173 WeakPolarHBondContact CA-O 3.47Å; Q168-K173 PolarHBondContact N-O 3.15Å; Q168-D217 PolarHBondContact NE2-O 2.89Å
169	C	97.6	Very high	98	Very high	14 Å²	14	29 Å²	29	10%	0.095	15%	0.15	C	C	.	.	H	α-helix	trans	-84.6	-42.4	-170.7	-61.4	0	0	0	0	113	E57 V73 L165 A166 K172	E57-C169 VanDerWaalsContact CB-SG 3.59Å; E57-C169 VanDerWaalsContact CG-SG 3.55Å; V73-C169 HydrophobicContact CG1-CB 3.82Å; V73-C169 HydrophobicContact CG2-CB 4.44Å; L165-C169 VanDerWaalsContact O-CB 3.31Å; L165-C169 WeakPolarHBondContact O-CB 3.44Å; L165-C169 PolarHBondContact O-N 2.95Å; L165-C169 PolarHBondContact O-SG 3.36Å; A166-C169 PolarHBondContact O-N 2.82Å; C169-K172 WeakPolarHBondContact O-CD 3.43Å; C169-K172 WeakPolarHBondContact O-CE 3.37Å; C169-K172 PolarHBondContact O-NZ 3.3Å
170	A	98.2	Very high	98	Very high	6 Å²	6	29 Å²	29	5%	0.05	14%	0.144	C	C	.	.	H	α-helix	trans	-84.6	-43.2	-174.1	0	0	0	0	0	111.4	R70 V73 I145 A166	R70-A170 HydrophobicContact CB-CB 4.04Å; R70-A170 HydrophobicContact CG-CB 3.77Å; R70-A170 WeakPolarHBondContact CG-O 3.35Å; V73-A170 HydrophobicContact CB-CB 4.11Å; V73-A170 HydrophobicContact CG1-CB 3.99Å; V73-A170 HydrophobicContact CG2-CB 4.37Å; I145-A170 HydrophobicContact CD1-CB 3.68Å; A166-A170 WeakPolarHBondContact O-CA 3.44Å; A166-A170 WeakPolarHBondContact O-CB 3.36Å; A166-A170 PolarHBondContact O-N 3.46Å
171	W	98.2	Very high	97.9	Very high	49 Å²	49	30.9 Å²	30.9	19%	0.186	15%	0.154	C	C	.	.	S	Bend	trans	-101.7	-4.5	-177.7	-65.6	114.5	0	0	0	114.3	I145 P146 E147 A166 M167 K173	I145-W171 HydrophobicContact CG1-CZ2 3.99Å; I145-W171 WeakPolarHBondContact O-CZ2 3.31Å; P146-W171 PolarHBondContact O-NE1 3.46Å; E147-W171 HydrophobicContact CB-CD2 4.44Å; E147-W171 HydrophobicContact CB-CZ2 3.98Å; A166-W171 PolarHBondContact O-N 2.83Å; M167-W171 HydrophobicContact CE-CB 4.05Å; M167-W171 HydrophobicContact CE-CG 4.17Å; M167-W171 CarbonylContact O-C 3.4Å; M167-W171 WeakPolarHBondContact O-CA 3.46Å; M167-W171 WeakPolarHBondContact O-CB 3.49Å; M167-W171 PolarHBondContact O-N 3.25Å; M167-W171 HydrophobicContact SD-CG 4.29Å; W171-K173 HydrophobicContact CB-CB 4.43Å; W171-K173 HydrophobicContact CB-CD 4.32Å; W171-K173 HydrophobicContact CB-CG 4.42Å; W171-K173 PolarHBondContact O-N 3.25Å
172	K	97.3	Very high	98	Very high	134 Å²	134	30.5 Å²	30.5	58%	0.583	15%	0.153	S	C	*	.			trans	55	33.8	-176.5	-49	-56.7	-173.9	-170.8	0	112.2	E62 M167 Q168 C169	E62-K172 IonicContact OE1-NZ 3.3Å; M167-K172 PolarHBondContact O-N 2.93Å; M167-K172 VanDerWaalsContact O-N 3.13Å; Q168-K172 WeakPolarHBondContact O-CA 3.49Å; Q168-K172 PolarHBondContact O-N 2.88Å; C169-K172 WeakPolarHBondContact O-CD 3.43Å; C169-K172 WeakPolarHBondContact O-CE 3.37Å; C169-K172 PolarHBondContact O-NZ 3.3Å
173	K	98.1	Very high	98	Very high	103 Å²	103	29.7 Å²	29.7	45%	0.448	15%	0.149	S	C	.	.			trans	-122.2	118.6	-178.4	-72.9	174.9	-174.7	175.8	0	110.5	M167 Q168 W171 T175	M167-K173 CarbonylContact C-O 3.11Å; M167-K173 HydrophobicContact CE-CB 4.15Å; M167-K173 HydrophobicContact CE-CD 4.02Å; M167-K173 PolarHBondContact O-N 3.11Å; Q168-K173 WeakPolarHBondContact CA-O 3.47Å; Q168-K173 PolarHBondContact N-O 3.15Å; W171-K173 HydrophobicContact CB-CB 4.43Å; W171-K173 HydrophobicContact CB-CD 4.32Å; W171-K173 HydrophobicContact CB-CG 4.42Å; W171-K173 PolarHBondContact O-N 3.25Å; K173-T175 HydrophobicContact CB-CG2 4.38Å; K173-T175 PolarHBondContact O-N 3.25Å
174	V	98.1	Very high	98	Very high	39 Å²	39	31.5 Å²	31.5	24%	0.236	16%	0.157	C	C	.	.			trans	-82.3	98.4	174.5	-176.5	0	0	0	0	109.4	R213 W216 D217	V174-R213 PolarHBondContact O-NH2 3.25Å; V174-W216 HydrophobicContact CG1-CB 3.69Å; V174-W216 HydrophobicContact CG1-CE3 4.2Å; V174-D217 HydrophobicContact CG2-CB 3.9Å
175	T	97.9	Very high	98	Very high	58 Å²	58	32 Å²	32	36%	0.356	16%	0.159	S	C	.	.			trans	-100.8	-12.4	-179.5	54.4	0	0	0	0	113.7	V149 Y164 M167 K173	V149-T175 VanDerWaalsContact CG2-OG1 3.31Å; V149-T175 WeakPolarHBondContact CG2-OG1 3.45Å; Y164-T175 WeakPolarHBondContact CD1-OG1 3.2Å; M167-T175 HydrophobicContact CB-CG2 4.08Å; M167-T175 WeakPolarHBondContact CB-OG1 3.38Å; M167-T175 HydrophobicContact CE-CG2 4.01Å; M167-T175 HydrophobicContact CG-CG2 4.16Å; K173-T175 HydrophobicContact CB-CG2 4.38Å; K173-T175 PolarHBondContact O-N 3.25Å
176	G	98.2	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	173.2	178.1	-178.8	0	0	0	0	0	110.9	Y164 E208	Y164-G176 VanDerWaalsContact CD1-CA 3.43Å; G176-E208 WeakPolarHBondContact CA-OE1 3.16Å
177	I	98.2	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.			trans	-91.9	123.3	179.7	-61.3	171	0	0	0	110	V179 R204 I207 E208 F211 W216 I219	I177-V179 HydrophobicContact CG2-CG2 3.87Å; I177-V179 PolarHBondContact O-N 3.2Å; I177-V179 VanDerWaalsContact O-N 3.11Å; I177-R204 HydrophobicContact CB-CG 4.33Å; I177-R204 WeakPolarHBondContact O-CD 3.32Å; I177-R204 VanDerWaalsContact O-CG 3.28Å; I177-R204 WeakPolarHBondContact O-CG 3.49Å; I177-I207 HydrophobicContact CB-CD1 4.45Å; I177-I207 HydrophobicContact CD1-CD1 3.72Å; I177-I207 HydrophobicContact CD1-CG1 3.84Å; I177-I207 HydrophobicContact CG2-CD1 3.97Å; I177-E208 HydrophobicContact CB-CG 4.43Å; I177-E208 HydrophobicContact CD1-CG 3.74Å; I177-E208 HydrophobicContact CG1-CG 4Å; I177-E208 PolarHBondContact N-OE1 2.92Å; I177-F211 HydrophobicContact CD1-CD1 4.07Å; I177-W216 HydrophobicContact CD1-CD2 4.11Å; I177-W216 HydrophobicContact CD1-CG 3.87Å; I177-W216 HydrophobicContact CG1-CB 3.86Å; I177-W216 HydrophobicContact CG1-CD2 3.74Å; I177-W216 HydrophobicContact CG1-CE3 4.24Å; I177-W216 HydrophobicContact CG1-CG 3.56Å; I177-I219 HydrophobicContact CB-CG2 4.43Å; I177-I219 HydrophobicContact CD1-CG2 4.33Å; I177-I219 HydrophobicContact CG1-CG2 4.24Å; I177-I219 HydrophobicContact CG2-CG2 3.39Å
178	G	97.2	Very high	98	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.01	17%	0.167	C	C	.	.			trans	-66.8	107.3	166.3	0	0	0	0	0	110.5	N220	G178-N220 PolarHBondContact O-ND2 3.28Å
179	V	98.2	Very high	98	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.042	17%	0.166	C	C	.	.			trans	-104.8	113.6	175.3	180	0	0	0	0	110.6	K161 I177 V183 H184 P200 T203 R204 I207	K161-V179 WeakPolarHBondContact CB-O 3.49Å; K161-V179 WeakPolarHBondContact CG-O 3.31Å; I177-V179 HydrophobicContact CG2-CG2 3.87Å; I177-V179 PolarHBondContact O-N 3.2Å; I177-V179 VanDerWaalsContact O-N 3.11Å; V179-V183 HydrophobicContact CB-CG1 4.23Å; V179-V183 HydrophobicContact CG1-CB 4Å; V179-V183 HydrophobicContact CG1-CG1 3.84Å; V179-V183 HydrophobicContact CG2-CG1 3.92Å; V179-H184 HydrophobicContact CG1-CB 4.02Å; V179-P200 HydrophobicContact CB-CB 4.46Å; V179-P200 HydrophobicContact CG1-CB 3.95Å; V179-P200 WeakPolarHBondContact CG1-O 3.44Å; V179-T203 HydrophobicContact CG1-CG2 4.28Å; V179-R204 HydrophobicContact CB-CB 4.15Å; V179-R204 HydrophobicContact CG2-CB 3.58Å; V179-R204 HydrophobicContact CG2-CG 3.96Å; V179-I207 HydrophobicContact CG2-CD1 4.07Å
180	D	96.6	Very high	98.1	Very high	29 Å²	29	33.4 Å²	33.4	16%	0.155	16%	0.164	C	C	.	.			trans	-102.7	-171.3	173.1	87	-30.8	0	0	0	111.2	K161 H182 V183 H184	K161-D180 HydrophobicContact CG-CB 4.29Å; D180-H182 VanDerWaalsContact C-N 3.28Å; D180-H182 PolarHBondContact O-N 3.37Å; D180-H182 WeakPolarHBondContact OD1-CA 3.39Å; D180-H182 WeakPolarHBondContact OD1-CB 3.25Å; D180-H182 PolarHBondContact OD1-N 3.31Å; D180-H182 IonicContact OD2-CD2 3Å; D180-H182 PolarHBondContact OD2-CD2 2.82Å; D180-H182 VanDerWaalsContact OD2-CD2 3.28Å; D180-H182 IonicContact OD2-CG 3.7Å; D180-V183 WeakPolarHBondContact OD1-CG2 3.47Å; D180-V183 PolarHBondContact OD1-N 2.89Å; D180-H184 WeakPolarHBondContact O-CB 3.36Å; D180-H184 PolarHBondContact O-N 2.85Å
181	T	96.9	Very high	98	Very high	91 Å²	91	39.3 Å²	39.3	56%	0.558	19%	0.189	S	C	*	.	H	α-helix	trans	-67.1	-25.8	179.1	65.9	0	0	0	0	113.8	R185	T181-R185 VanDerWaalsContact O-CB 3.23Å; T181-R185 WeakPolarHBondContact O-CB 3.49Å; T181-R185 PolarHBondContact O-N 3.46Å; T181-R185 PolarHBondContact O-NH1 3.37Å
182	H	98.1	Very high	98	Very high	36 Å²	36	37 Å²	37	17%	0.167	18%	0.18	C	C	.	.	H	α-helix	trans	-72.7	-55.5	175.4	-69.2	-110.7	0	0	0	110.3	D180 H184 R185 I186 V224	D180-H182 VanDerWaalsContact C-N 3.28Å; D180-H182 PolarHBondContact O-N 3.37Å; D180-H182 WeakPolarHBondContact OD1-CA 3.39Å; D180-H182 WeakPolarHBondContact OD1-CB 3.25Å; D180-H182 PolarHBondContact OD1-N 3.31Å; D180-H182 IonicContact OD2-CD2 3Å; D180-H182 PolarHBondContact OD2-CD2 2.82Å; D180-H182 VanDerWaalsContact OD2-CD2 3.28Å; D180-H182 IonicContact OD2-CG 3.7Å; H182-H184 VanDerWaalsContact C-N 3.33Å; H182-H184 PolarHBondContact O-N 3.3Å; H182-R185 PolarHBondContact ND1-NH2 3.43Å; H182-R185 PolarHBondContact O-N 2.9Å; H182-I186 HydrophobicContact CB-CD1 4.46Å; H182-I186 WeakPolarHBondContact O-CB 3.45Å; H182-I186 WeakPolarHBondContact O-CD1 3.39Å; H182-I186 VanDerWaalsContact O-CG1 3.23Å; H182-I186 WeakPolarHBondContact O-CG1 3.44Å; H182-I186 PolarHBondContact O-N 3.35Å; H182-V224 HydrophobicContact CB-CB 4.49Å; H182-V224 HydrophobicContact CB-CG2 4.16Å; H182-V224 PolarHBondContact ND1-O 3.06Å
183	V	98.5	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-55.4	-51.1	177.6	178	0	0	0	0	109.5	V179 D180 R185 I186 V187 L223 V224	V179-V183 HydrophobicContact CB-CG1 4.23Å; V179-V183 HydrophobicContact CG1-CB 4Å; V179-V183 HydrophobicContact CG1-CG1 3.84Å; V179-V183 HydrophobicContact CG2-CG1 3.92Å; D180-V183 WeakPolarHBondContact OD1-CG2 3.47Å; D180-V183 PolarHBondContact OD1-N 2.89Å; V183-R185 PolarHBondContact O-N 3.1Å; V183-I186 PolarHBondContact O-N 3.35Å; V183-V187 HydrophobicContact CG1-CG2 4Å; V183-V187 VanDerWaalsContact O-CB 3.28Å; V183-V187 WeakPolarHBondContact O-CB 3.31Å; V183-V187 WeakPolarHBondContact O-CG2 3.38Å; V183-V187 PolarHBondContact O-N 3.26Å; V183-L223 HydrophobicContact CG1-CD1 4.14Å; V183-L223 HydrophobicContact CG2-CB 4Å; V183-V224 HydrophobicContact CG2-CG2 4.5Å
184	H	98.7	Very high	98	Very high	37 Å²	37	31.6 Å²	31.6	17%	0.171	16%	0.158	C	C	.	.	H	α-helix	trans	-52.1	-51.8	178	171.9	54.7	0	0	0	112.8	V179 D180 H182 N188 T197 T199 P200 T203	V179-H184 HydrophobicContact CG1-CB 4.02Å; D180-H184 WeakPolarHBondContact O-CB 3.36Å; D180-H184 PolarHBondContact O-N 2.85Å; H182-H184 VanDerWaalsContact C-N 3.33Å; H182-H184 PolarHBondContact O-N 3.3Å; H184-N188 PolarHBondContact CE1-ND2 3.22Å; H184-N188 VanDerWaalsContact CE1-ND2 3.29Å; H184-N188 PolarHBondContact ND1-ND2 3.47Å; H184-N188 WeakPolarHBondContact O-CB 3.37Å; H184-N188 PolarHBondContact O-N 3.14Å; H184-N188 PolarHBondContact O-ND2 3Å; H184-T197 PolarHBondContact CE1-O 2.95Å; H184-T199 PolarHBondContact ND1-O 3.38Å; H184-P200 HydrophobicContact CB-CB 4.48Å; H184-P200 HydrophobicContact CB-CG 4.35Å; H184-T203 PolarHBondContact CE1-OG1 3.16Å; H184-T203 PolarHBondContact ND1-OG1 3.06Å
185	R	98.5	Very high	97.9	Very high	36 Å²	36	37.4 Å²	37.4	14%	0.136	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-45.8	-179.5	177	-178.4	70.3	-108.3	5.6	111.9	T181 H182 V183 R189 G227 C231	T181-R185 VanDerWaalsContact O-CB 3.23Å; T181-R185 WeakPolarHBondContact O-CB 3.49Å; T181-R185 PolarHBondContact O-N 3.46Å; T181-R185 PolarHBondContact O-NH1 3.37Å; H182-R185 PolarHBondContact ND1-NH2 3.43Å; H182-R185 PolarHBondContact O-N 2.9Å; V183-R185 PolarHBondContact O-N 3.1Å; R185-R189 WeakPolarHBondContact O-CB 3.33Å; R185-R189 VanDerWaalsContact O-CG 3.3Å; R185-R189 WeakPolarHBondContact O-CG 3.35Å; R185-R189 PolarHBondContact O-N 3.09Å; R185-G227 PolarHBondContact NH2-O 2.87Å; R185-C231 PolarHBondContact NE-O 3.47Å; R185-C231 VanDerWaalsContact NE-O 3.16Å; R185-C231 PolarHBondContact NH2-O 2.96Å
186	I	98.7	Very high	97.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-71.8	-44.9	-172.8	-66.6	160.3	0	0	0	110.6	H182 V183 N188 R189 L190 L223 F226 C231	H182-I186 HydrophobicContact CB-CD1 4.46Å; H182-I186 WeakPolarHBondContact O-CB 3.45Å; H182-I186 WeakPolarHBondContact O-CD1 3.39Å; H182-I186 VanDerWaalsContact O-CG1 3.23Å; H182-I186 WeakPolarHBondContact O-CG1 3.44Å; H182-I186 PolarHBondContact O-N 3.35Å; V183-I186 PolarHBondContact O-N 3.35Å; I186-N188 VanDerWaalsContact C-N 3.29Å; I186-N188 PolarHBondContact O-N 2.96Å; I186-R189 PolarHBondContact O-N 3.36Å; I186-R189 VanDerWaalsContact O-N 3.09Å; I186-L190 HydrophobicContact CG2-CD1 3.82Å; I186-L190 HydrophobicContact CG2-CG 4.27Å; I186-L190 WeakPolarHBondContact O-CG 3.5Å; I186-L190 PolarHBondContact O-N 3.24Å; I186-L223 HydrophobicContact CB-CD1 4.49Å; I186-L223 HydrophobicContact CD1-CB 4.13Å; I186-L223 WeakPolarHBondContact CD1-O 3.39Å; I186-L223 HydrophobicContact CG2-CD1 4.27Å; I186-L223 HydrophobicContact CG2-CD2 4.04Å; I186-F226 HydrophobicContact CD1-CD1 3.98Å; I186-F226 HydrophobicContact CG1-CD1 4.5Å; I186-F226 HydrophobicContact CG2-CD1 4.1Å; I186-F226 HydrophobicContact CG2-CE1 4.09Å; I186-C231 HydrophobicContact CD1-CB 4.24Å; I186-C231 HydrophobicContact CG1-CB 3.96Å
187	V	98.6	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.2	-45	174.9	167.3	0	0	0	0	110.7	V183 L190 K191 W192 C193 T203 I207 L223	V183-V187 HydrophobicContact CG1-CG2 4Å; V183-V187 VanDerWaalsContact O-CB 3.28Å; V183-V187 WeakPolarHBondContact O-CB 3.31Å; V183-V187 WeakPolarHBondContact O-CG2 3.38Å; V183-V187 PolarHBondContact O-N 3.26Å; V187-L190 PolarHBondContact O-N 3.23Å; V187-K191 PolarHBondContact O-N 2.81Å; V187-K191 VanDerWaalsContact O-N 3.11Å; V187-W192 HydrophobicContact CB-CB 4.34Å; V187-W192 HydrophobicContact CG1-CB 3.64Å; V187-W192 HydrophobicContact CG2-CE3 4.2Å; V187-W192 PolarHBondContact O-N 2.81Å; V187-C193 WeakPolarHBondContact CG1-SG 3.21Å; V187-T203 HydrophobicContact CB-CG2 3.87Å; V187-T203 HydrophobicContact CG1-CG2 3.48Å; V187-T203 VanDerWaalsContact CG1-CG2 3.48Å; V187-T203 HydrophobicContact CG2-CG2 4.41Å; V187-I207 HydrophobicContact CG1-CG2 3.38Å; V187-I207 HydrophobicContact CG2-CG2 4.3Å; V187-L223 HydrophobicContact CG2-CD1 4.02Å
188	N	98.6	Very high	97.8	Very high	36 Å²	36	49.6 Å²	49.6	19%	0.193	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-41.3	175.1	-84.8	-79.9	0	0	0	112.7	H184 I186 L190 K191 T197	H184-N188 PolarHBondContact CE1-ND2 3.22Å; H184-N188 VanDerWaalsContact CE1-ND2 3.29Å; H184-N188 PolarHBondContact ND1-ND2 3.47Å; H184-N188 WeakPolarHBondContact O-CB 3.37Å; H184-N188 PolarHBondContact O-N 3.14Å; H184-N188 PolarHBondContact O-ND2 3Å; I186-N188 VanDerWaalsContact C-N 3.29Å; I186-N188 PolarHBondContact O-N 2.96Å; N188-L190 VanDerWaalsContact C-N 3.31Å; N188-L190 PolarHBondContact O-N 2.95Å; N188-K191 PolarHBondContact O-N 3.44Å; N188-K191 VanDerWaalsContact O-N 3.14Å; N188-T197 PolarHBondContact ND2-OG1 3.36Å; N188-T197 PolarHBondContact OD1-N 3.09Å; N188-T197 PolarHBondContact OD1-OG1 3.34Å
189	R	98.2	Very high	97.9	Very high	29 Å²	29	52.2 Å²	52.2	11%	0.109	26%	0.257	C	S	.	.	H	α-helix	trans	-64.5	-34.2	177.1	-77.2	175.9	-179.9	-176.9	-1.3	113	R185 I186 K191 C231 R232 P233 P248 S249	R185-R189 WeakPolarHBondContact O-CB 3.33Å; R185-R189 VanDerWaalsContact O-CG 3.3Å; R185-R189 WeakPolarHBondContact O-CG 3.35Å; R185-R189 PolarHBondContact O-N 3.09Å; I186-R189 PolarHBondContact O-N 3.36Å; I186-R189 VanDerWaalsContact O-N 3.09Å; R189-K191 VanDerWaalsContact C-N 3.29Å; R189-C231 PolarHBondContact NH1-O 3.04Å; R189-C231 PolarHBondContact NH1-SG 3.3Å; R189-R232 PolarHBondContact NH1-O 3.06Å; R189-R232 PolarHBondContact NH2-O 3.18Å; R189-R232 VanDerWaalsContact NH2-O 3.12Å; R189-P233 PolarHBondContact NH2-O 2.89Å; R189-P248 WeakPolarHBondContact O-CG 3.16Å; R189-S249 VanDerWaalsContact CA-OG 3.27Å; R189-S249 WeakPolarHBondContact CA-OG 3.29Å; R189-S249 WeakPolarHBondContact O-CB 3.47Å; R189-S249 PolarHBondContact O-OG 3.33Å
190	L	98.3	Very high	97.9	Very high	10 Å²	10	54.2 Å²	54.2	5%	0.052	27%	0.27	C	S	.	.	H	α-helix	trans	-83.3	-4.3	176.4	-65	176	0	0	0	113.1	I40 I186 V187 N188 W192 C247 P248	I40-L190 HydrophobicContact CD1-CD1 3.96Å; I186-L190 HydrophobicContact CG2-CD1 3.82Å; I186-L190 HydrophobicContact CG2-CG 4.27Å; I186-L190 WeakPolarHBondContact O-CG 3.5Å; I186-L190 PolarHBondContact O-N 3.24Å; V187-L190 PolarHBondContact O-N 3.23Å; N188-L190 VanDerWaalsContact C-N 3.31Å; N188-L190 PolarHBondContact O-N 2.95Å; L190-W192 VanDerWaalsContact C-N 3.25Å; L190-W192 HydrophobicContact CB-CD2 4.46Å; L190-W192 HydrophobicContact CB-CG 4.05Å; L190-W192 HydrophobicContact CD1-CD2 4.41Å; L190-W192 HydrophobicContact CD1-CZ2 3.92Å; L190-W192 PolarHBondContact O-N 2.84Å; L190-C247 HydrophobicContact CD2-CB 4.47Å; L190-P248 WeakPolarHBondContact O-CG 3.37Å
191	K	97.6	Very high	97.9	Very high	130 Å²	130	56 Å²	56	57%	0.565	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	43.2	-172.9	-62.8	-175.6	178.9	-179.5	0	112.5	V187 N188 R189 C193 P248	V187-K191 PolarHBondContact O-N 2.81Å; V187-K191 VanDerWaalsContact O-N 3.11Å; N188-K191 PolarHBondContact O-N 3.44Å; N188-K191 VanDerWaalsContact O-N 3.14Å; R189-K191 VanDerWaalsContact C-N 3.29Å; K191-C193 PolarHBondContact O-N 3.07Å; K191-P248 HydrophobicContact CB-CG 3.93Å; K191-P248 HydrophobicContact CD-CB 3.7Å; K191-P248 HydrophobicContact CD-CG 3.84Å; K191-P248 HydrophobicContact CG-CB 4.06Å; K191-P248 HydrophobicContact CG-CG 3.65Å
192	W	98.3	Very high	98	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.008	27%	0.27	C	S	.	.			trans	-77.3	2.4	173.9	-82.1	20.3	0	0	0	113.4	P30 Q36 L37 V187 L190 W210 F211 I219	P30-W192 HydrophobicContact CG-CB 4.25Å; P30-W192 HydrophobicContact CG-CG 4.22Å; Q36-W192 HydrophobicContact CB-CZ2 4.22Å; L37-W192 HydrophobicContact CB-CH2 4.2Å; L37-W192 HydrophobicContact CB-CZ2 4.42Å; L37-W192 HydrophobicContact CD1-CH2 4.24Å; V187-W192 HydrophobicContact CB-CB 4.34Å; V187-W192 HydrophobicContact CG1-CB 3.64Å; V187-W192 HydrophobicContact CG2-CE3 4.2Å; V187-W192 PolarHBondContact O-N 2.81Å; L190-W192 VanDerWaalsContact C-N 3.25Å; L190-W192 HydrophobicContact CB-CD2 4.46Å; L190-W192 HydrophobicContact CB-CG 4.05Å; L190-W192 HydrophobicContact CD1-CD2 4.41Å; L190-W192 HydrophobicContact CD1-CZ2 3.92Å; L190-W192 PolarHBondContact O-N 2.84Å; W192-W210 HydrophobicContact CB-CZ2 3.83Å; W192-W210 HydrophobicContact CD2-CH2 4.11Å; W192-W210 HydrophobicContact CD2-CZ2 4.11Å; W192-W210 HydrophobicContact CE3-CH2 4.25Å; W192-W210 HydrophobicContact CE3-CZ2 4.21Å; W192-W210 HydrophobicContact CG-CH2 4.25Å; W192-W210 AromaticContact CG-CZ2 3.93Å; W192-W210 HydrophobicContact CG-CZ2 3.93Å; W192-W210 WeakPolarHBondContact O-CZ2 3.49Å; W192-W210 PolarHBondContact O-NE1 3.42Å; W192-F211 HydrophobicContact CH2-CE2 4.31Å; W192-F211 HydrophobicContact CZ3-CD2 4.43Å; W192-F211 AromaticContact CZ3-CE2 3.91Å; W192-F211 HydrophobicContact CZ3-CE2 3.91Å; W192-F211 HydrophobicContact CZ3-CZ 4.41Å; W192-I219 HydrophobicContact CH2-CD1 4.27Å; W192-I219 HydrophobicContact CZ3-CD1 3.79Å
193	C	97.8	Very high	98	Very high	9 Å²	9	54 Å²	54	6%	0.061	26%	0.262	C	S	.	.	S	Bend	trans	-116.6	145.4	170.5	-57.8	0	0	0	0	109.1	V187 K191 K195 T197 A206	V187-C193 WeakPolarHBondContact CG1-SG 3.21Å; K191-C193 PolarHBondContact O-N 3.07Å; C193-K195 WeakPolarHBondContact CB-O 3.38Å; C193-K195 PolarHBondContact O-N 3.46Å; C193-T197 HydrophobicContact CB-CG2 4.28Å; C193-A206 HydrophobicContact CB-CB 4.03Å
194	K	95.9	Very high	98	Very high	114 Å²	114	54.7 Å²	54.7	50%	0.496	26%	0.264	S	S	.	.	S	Bend	trans	-55	-36.4	176.3	-69.3	173.6	-177.6	161.4	0	112.7	W28 E209	W28-K194 HydrophobicContact CD2-CD 4.27Å; W28-K194 HydrophobicContact CD2-CG 3.58Å; W28-K194 HydrophobicContact CE3-CD 4.34Å; W28-K194 HydrophobicContact CE3-CG 3.62Å; W28-K194 HydrophobicContact CG-CG 4.25Å; W28-K194 HydrophobicContact CH2-CB 4.44Å; W28-K194 HydrophobicContact CH2-CG 3.84Å; W28-K194 HydrophobicContact CZ2-CB 4.42Å; W28-K194 HydrophobicContact CZ2-CG 3.81Å; W28-K194 HydrophobicContact CZ3-CG 3.75Å; K194-E209 IonicContact NZ-OE1 3.64Å; K194-E209 PolarHBondContact NZ-OE1 2.82Å; K194-E209 IonicContact NZ-OE2 2.81Å; K194-E209 PolarHBondContact NZ-OE2 3.23Å
195	K	96.3	Very high	98	Very high	160 Å²	160	57.5 Å²	57.5	70%	0.696	28%	0.28	S	S	*	.	S	Bend	trans	-133.1	153.8	175.6	62.5	-177.5	179.5	-177.7	0	109.8	C193 T197	C193-K195 WeakPolarHBondContact CB-O 3.38Å; C193-K195 PolarHBondContact O-N 3.46Å; K195-T197 PolarHBondContact O-N 3.17Å
196	P	97.1	Very high	98	Very high	115 Å²	115	56.9 Å²	56.9	75%	0.747	28%	0.283	S	S	*	.			trans	-56	135.1	172.2	-23.6	34	0	0	0	111.3
197	T	98.3	Very high	97.9	Very high	17 Å²	17	56.9 Å²	56.9	10%	0.104	28%	0.283	C	S	.	.			trans	-104.4	150.9	176.9	53.8	0	0	0	0	110	H184 N188 C193 K195 E202 T203 A206	H184-T197 PolarHBondContact CE1-O 2.95Å; N188-T197 PolarHBondContact ND2-OG1 3.36Å; N188-T197 PolarHBondContact OD1-N 3.09Å; N188-T197 PolarHBondContact OD1-OG1 3.34Å; C193-T197 HydrophobicContact CB-CG2 4.28Å; K195-T197 PolarHBondContact O-N 3.17Å; T197-E202 HydrophobicContact CG2-CB 3.96Å; T197-T203 PolarHBondContact OG1-OG1 3.5Å; T197-A206 HydrophobicContact CG2-CB 4.2Å
198	K	98.1	Very high	97.9	Very high	182 Å²	182	58.7 Å²	58.7	79%	0.791	29%	0.291	S	S	*	.	S	Bend	trans	-100.6	-23.2	-176.5	-63.5	-179.6	-178.9	178.1	0	112.8	E202	K198-E202 PolarHBondContact N-OE2 3.41Å
199	T	98.2	Very high	97.8	Very high	56 Å²	56	61.9 Å²	61.9	34%	0.344	31%	0.305	S	S	.	.	S	Bend	trans	-126.6	156.5	-177.2	72.3	0	0	0	0	111.8	H184 E201 E202 T203	H184-T199 PolarHBondContact ND1-O 3.38Å; T199-E201 PolarHBondContact O-N 3.21Å; T199-E202 PolarHBondContact O-N 3.32Å; T199-E202 WeakPolarHBondContact OG1-CB 3.35Å; T199-E202 VanDerWaalsContact OG1-CG 3.3Å; T199-E202 WeakPolarHBondContact OG1-CG 3.44Å; T199-E202 PolarHBondContact OG1-N 3.04Å; T199-E202 VanDerWaalsContact OG1-N 3.08Å; T199-T203 PolarHBondContact O-N 2.81Å; T199-T203 VanDerWaalsContact O-N 3.12Å; T199-T203 PolarHBondContact O-OG1 3.07Å
200	P	98	Very high	97.7	Very high	49 Å²	49	61 Å²	61	32%	0.318	30%	0.302	S	S	.	.	H	α-helix	trans	-54.7	-39.4	170	-28.9	37.3	0	0	0	113	V179 H184 T203 R204	V179-P200 HydrophobicContact CB-CB 4.46Å; V179-P200 HydrophobicContact CG1-CB 3.95Å; V179-P200 WeakPolarHBondContact CG1-O 3.44Å; H184-P200 HydrophobicContact CB-CB 4.48Å; H184-P200 HydrophobicContact CB-CG 4.35Å; P200-T203 VanDerWaalsContact O-CB 3.31Å; P200-T203 WeakPolarHBondContact O-CB 3.49Å; P200-T203 PolarHBondContact O-N 3.42Å; P200-R204 PolarHBondContact O-N 3.44Å
201	E	98	Very high	97.6	Very high	66 Å²	66	60.7 Å²	60.7	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-70.1	-42.4	-178.7	-176.5	57.7	-164.7	0	0	112.7	T199 T203 R204 L205	T199-E201 PolarHBondContact O-N 3.21Å; E201-T203 PolarHBondContact O-N 3.36Å; E201-R204 WeakPolarHBondContact O-CB 3.49Å; E201-R204 PolarHBondContact O-N 3.15Å; E201-R204 IonicContact OE1-CZ 3.86Å; E201-R204 IonicContact OE1-NE 3.26Å; E201-R204 PolarHBondContact OE1-NE 3.27Å; E201-R204 VanDerWaalsContact OE1-NE 3.12Å; E201-R204 IonicContact OE1-NH2 3.7Å; E201-R204 PolarHBondContact OE1-NH2 3.32Å; E201-R204 IonicContact OE2-CZ 3.17Å; E201-R204 IonicContact OE2-NE 3.36Å; E201-R204 PolarHBondContact OE2-NE 3.2Å; E201-L205 PolarHBondContact O-N 3.42Å; E201-L205 VanDerWaalsContact O-N 3.11Å
202	E	98.4	Very high	97.6	Very high	85 Å²	85	55.8 Å²	55.8	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-58.2	-36	171.3	-75.9	173.7	-169.6	0	0	111.6	T197 K198 T199 A206	T197-E202 HydrophobicContact CG2-CB 3.96Å; K198-E202 PolarHBondContact N-OE2 3.41Å; T199-E202 PolarHBondContact O-N 3.32Å; T199-E202 WeakPolarHBondContact OG1-CB 3.35Å; T199-E202 VanDerWaalsContact OG1-CG 3.3Å; T199-E202 WeakPolarHBondContact OG1-CG 3.44Å; T199-E202 PolarHBondContact OG1-N 3.04Å; T199-E202 VanDerWaalsContact OG1-N 3.08Å; E202-A206 VanDerWaalsContact O-CB 3.28Å; E202-A206 WeakPolarHBondContact O-CB 3.37Å; E202-A206 PolarHBondContact O-N 3.04Å; E202-A206 VanDerWaalsContact O-N 3.08Å
203	T	98.6	Very high	97.6	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.3	-44.9	177.9	-52.8	0	0	0	0	111.5	V179 H184 V187 T197 T199 P200 E201 A206 I207	V179-T203 HydrophobicContact CG1-CG2 4.28Å; H184-T203 PolarHBondContact CE1-OG1 3.16Å; H184-T203 PolarHBondContact ND1-OG1 3.06Å; V187-T203 HydrophobicContact CB-CG2 3.87Å; V187-T203 HydrophobicContact CG1-CG2 3.48Å; V187-T203 VanDerWaalsContact CG1-CG2 3.48Å; V187-T203 HydrophobicContact CG2-CG2 4.41Å; T197-T203 PolarHBondContact OG1-OG1 3.5Å; T199-T203 PolarHBondContact O-N 2.81Å; T199-T203 VanDerWaalsContact O-N 3.12Å; T199-T203 PolarHBondContact O-OG1 3.07Å; P200-T203 VanDerWaalsContact O-CB 3.31Å; P200-T203 WeakPolarHBondContact O-CB 3.49Å; P200-T203 PolarHBondContact O-N 3.42Å; E201-T203 PolarHBondContact O-N 3.36Å; T203-A206 PolarHBondContact O-N 2.64Å; T203-I207 HydrophobicContact CG2-CG2 4.42Å; T203-I207 WeakPolarHBondContact O-CG1 3.32Å; T203-I207 PolarHBondContact O-N 3.33Å
204	R	98.4	Very high	97.5	Very high	15 Å²	15	69.1 Å²	69.1	6%	0.057	34%	0.336	C	S	.	.	H	α-helix	trans	-54.9	-53.9	177.8	-173	-168.1	66.9	74.8	-1.2	110.8	Y164 I177 V179 P200 E201 A206 I207 E208	Y164-R204 VanDerWaalsContact OH-CZ 3.22Å; Y164-R204 PolarHBondContact OH-NH1 3Å; Y164-R204 PolarHBondContact OH-NH2 3.33Å; I177-R204 HydrophobicContact CB-CG 4.33Å; I177-R204 WeakPolarHBondContact O-CD 3.32Å; I177-R204 VanDerWaalsContact O-CG 3.28Å; I177-R204 WeakPolarHBondContact O-CG 3.49Å; V179-R204 HydrophobicContact CB-CB 4.15Å; V179-R204 HydrophobicContact CG2-CB 3.58Å; V179-R204 HydrophobicContact CG2-CG 3.96Å; P200-R204 PolarHBondContact O-N 3.44Å; E201-R204 WeakPolarHBondContact O-CB 3.49Å; E201-R204 PolarHBondContact O-N 3.15Å; E201-R204 IonicContact OE1-CZ 3.86Å; E201-R204 IonicContact OE1-NE 3.26Å; E201-R204 PolarHBondContact OE1-NE 3.27Å; E201-R204 VanDerWaalsContact OE1-NE 3.12Å; E201-R204 IonicContact OE1-NH2 3.7Å; E201-R204 PolarHBondContact OE1-NH2 3.32Å; E201-R204 IonicContact OE2-CZ 3.17Å; E201-R204 IonicContact OE2-NE 3.36Å; E201-R204 PolarHBondContact OE2-NE 3.2Å; R204-A206 VanDerWaalsContact C-N 3.3Å; R204-A206 PolarHBondContact O-N 2.91Å; R204-I207 VanDerWaalsContact O-CG1 3.31Å; R204-I207 WeakPolarHBondContact O-CG1 3.48Å; R204-I207 PolarHBondContact O-N 3.38Å; R204-E208 HydrophobicContact CG-CG 4.49Å; R204-E208 WeakPolarHBondContact CG-OE1 3.43Å; R204-E208 IonicContact CZ-OE1 2.69Å; R204-E208 IonicContact NH1-OE1 3.17Å; R204-E208 PolarHBondContact NH1-OE1 3.42Å; R204-E208 IonicContact NH1-OE2 3.66Å; R204-E208 PolarHBondContact NH1-OE2 3.16Å; R204-E208 WeakPolarHBondContact O-CG 3.37Å; R204-E208 PolarHBondContact O-N 3.03Å
205	L	98.1	Very high	97.6	Very high	97 Å²	97	65.3 Å²	65.3	51%	0.508	32%	0.32	S	S	.	.	H	α-helix	trans	-56.8	-44.6	177.2	-68.8	170.8	0	0	0	111.8	E201 I207 E209	E201-L205 PolarHBondContact O-N 3.42Å; E201-L205 VanDerWaalsContact O-N 3.11Å; L205-I207 PolarHBondContact O-N 3.02Å; L205-E209 PolarHBondContact O-N 3.43Å
206	A	97.9	Very high	97.7	Very high	22 Å²	22	59.2 Å²	59.2	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-33.8	-178.7	0	0	0	0	0	113.7	C193 T197 E202 T203 R204	C193-A206 HydrophobicContact CB-CB 4.03Å; T197-A206 HydrophobicContact CG2-CB 4.2Å; E202-A206 VanDerWaalsContact O-CB 3.28Å; E202-A206 WeakPolarHBondContact O-CB 3.37Å; E202-A206 PolarHBondContact O-N 3.04Å; E202-A206 VanDerWaalsContact O-N 3.08Å; T203-A206 PolarHBondContact O-N 2.64Å; R204-A206 VanDerWaalsContact C-N 3.3Å; R204-A206 PolarHBondContact O-N 2.91Å
207	I	97.6	Very high	97.6	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-83.4	-37.4	177.8	64.4	176	0	0	0	112.3	I177 V179 V187 T203 R204 L205 E209 W210 F211	I177-I207 HydrophobicContact CB-CD1 4.45Å; I177-I207 HydrophobicContact CD1-CD1 3.72Å; I177-I207 HydrophobicContact CD1-CG1 3.84Å; I177-I207 HydrophobicContact CG2-CD1 3.97Å; V179-I207 HydrophobicContact CG2-CD1 4.07Å; V187-I207 HydrophobicContact CG1-CG2 3.38Å; V187-I207 HydrophobicContact CG2-CG2 4.3Å; T203-I207 HydrophobicContact CG2-CG2 4.42Å; T203-I207 WeakPolarHBondContact O-CG1 3.32Å; T203-I207 PolarHBondContact O-N 3.33Å; R204-I207 VanDerWaalsContact O-CG1 3.31Å; R204-I207 WeakPolarHBondContact O-CG1 3.48Å; R204-I207 PolarHBondContact O-N 3.38Å; L205-I207 PolarHBondContact O-N 3.02Å; I207-E209 PolarHBondContact O-N 2.93Å; I207-W210 PolarHBondContact O-N 2.95Å; I207-F211 HydrophobicContact CB-CB 4.46Å; I207-F211 WeakPolarHBondContact O-CA 3.37Å; I207-F211 WeakPolarHBondContact O-CB 3.32Å; I207-F211 PolarHBondContact O-N 3.13Å
208	E	97.4	Very high	97.6	Very high	37 Å²	37	58 Å²	58	17%	0.173	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-25.6	174.9	-72.3	-177	-164.3	0	0	112	G176 I177 R204 W210 W216	G176-E208 WeakPolarHBondContact CA-OE1 3.16Å; I177-E208 HydrophobicContact CB-CG 4.43Å; I177-E208 HydrophobicContact CD1-CG 3.74Å; I177-E208 HydrophobicContact CG1-CG 4Å; I177-E208 PolarHBondContact N-OE1 2.92Å; R204-E208 HydrophobicContact CG-CG 4.49Å; R204-E208 WeakPolarHBondContact CG-OE1 3.43Å; R204-E208 IonicContact CZ-OE1 2.69Å; R204-E208 IonicContact NH1-OE1 3.17Å; R204-E208 PolarHBondContact NH1-OE1 3.42Å; R204-E208 IonicContact NH1-OE2 3.66Å; R204-E208 PolarHBondContact NH1-OE2 3.16Å; R204-E208 WeakPolarHBondContact O-CG 3.37Å; R204-E208 PolarHBondContact O-N 3.03Å; E208-W210 PolarHBondContact O-N 3.24Å; E208-W210 VanDerWaalsContact O-N 3.14Å; E208-W216 HydrophobicContact CB-CH2 3.96Å; E208-W216 HydrophobicContact CB-CZ2 3.72Å; E208-W216 HydrophobicContact CG-CH2 3.66Å; E208-W216 HydrophobicContact CG-CZ2 3.57Å; E208-W216 HydrophobicContact CG-CZ3 4.23Å
209	E	96.2	Very high	97.6	Very high	104 Å²	104	49.3 Å²	49.3	49%	0.486	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.9	173.9	-158.3	-160.6	158.1	0	0	112.2	K27 K194 L205 I207	K27-E209 WeakPolarHBondContact CE-O 3.04Å; K27-E209 PolarHBondContact NZ-O 3.01Å; K194-E209 IonicContact NZ-OE1 3.64Å; K194-E209 PolarHBondContact NZ-OE1 2.82Å; K194-E209 IonicContact NZ-OE2 2.81Å; K194-E209 PolarHBondContact NZ-OE2 3.23Å; L205-E209 PolarHBondContact O-N 3.43Å; I207-E209 PolarHBondContact O-N 2.93Å
210	W	96.7	Very high	97.6	Very high	11 Å²	11	46.8 Å²	46.8	4%	0.042	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.1	-30.1	-175.7	69	-88.7	0	0	0	115.2	W28 E29 P30 W33 W192 I207 E208	W28-W210 HydrophobicContact CE3-CB 4.33Å; W28-W210 AromaticContact CE3-CD1 3.83Å; W28-W210 AromaticContact CE3-CG 3.99Å; W28-W210 HydrophobicContact CE3-CG 3.99Å; W28-W210 AromaticContact CZ3-CD1 3.51Å; W28-W210 HydrophobicContact CZ3-CD2 4.4Å; W28-W210 AromaticContact CZ3-CG 3.99Å; W28-W210 HydrophobicContact CZ3-CG 3.99Å; W28-W210 AromaticContact CZ3-NE1 3.62Å; W28-W210 WeakPolarHBondContact O-CB 3Å; E29-W210 HydrophobicContact CB-CE3 4.06Å; P30-W210 VanDerWaalsContact CD-CD2 3.49Å; P30-W210 VanDerWaalsContact CD-CE2 3.5Å; P30-W210 VanDerWaalsContact CD-CE3 3.45Å; P30-W210 VanDerWaalsContact CD-CH2 3.48Å; P30-W210 VanDerWaalsContact CD-CZ3 3.45Å; P30-W210 HydrophobicContact CG-CD2 4.18Å; P30-W210 HydrophobicContact CG-CE3 4.38Å; P30-W210 HydrophobicContact CG-CH2 3.6Å; P30-W210 HydrophobicContact CG-CZ2 3.35Å; P30-W210 HydrophobicContact CG-CZ3 4.12Å; W33-W210 HydrophobicContact CB-CH2 3.87Å; W33-W210 HydrophobicContact CB-CZ3 4.07Å; W33-W210 AromaticContact CD1-CZ3 3.8Å; W33-W210 HydrophobicContact CD2-CH2 4.06Å; W33-W210 AromaticContact CD2-CZ3 3.54Å; W33-W210 HydrophobicContact CD2-CZ3 3.54Å; W33-W210 AromaticContact CE2-CZ3 3.81Å; W33-W210 HydrophobicContact CE3-CH2 4.32Å; W33-W210 HydrophobicContact CE3-CZ3 4.02Å; W33-W210 AromaticContact CG-CH2 3.88Å; W33-W210 HydrophobicContact CG-CH2 3.88Å; W33-W210 AromaticContact CG-CZ3 3.56Å; W33-W210 HydrophobicContact CG-CZ3 3.56Å; W33-W210 AromaticContact NE1-CZ3 3.93Å; W192-W210 HydrophobicContact CB-CZ2 3.83Å; W192-W210 HydrophobicContact CD2-CH2 4.11Å; W192-W210 HydrophobicContact CD2-CZ2 4.11Å; W192-W210 HydrophobicContact CE3-CH2 4.25Å; W192-W210 HydrophobicContact CE3-CZ2 4.21Å; W192-W210 HydrophobicContact CG-CH2 4.25Å; W192-W210 AromaticContact CG-CZ2 3.93Å; W192-W210 HydrophobicContact CG-CZ2 3.93Å; W192-W210 WeakPolarHBondContact O-CZ2 3.49Å; W192-W210 PolarHBondContact O-NE1 3.42Å; I207-W210 PolarHBondContact O-N 2.95Å; E208-W210 PolarHBondContact O-N 3.24Å; E208-W210 VanDerWaalsContact O-N 3.14Å
211	F	97.4	Very high	97.5	Very high	3 Å²	3	46.1 Å²	46.1	1%	0.013	22%	0.216	C	C	.	.	S	Bend	trans	-66.6	129.1	-172.6	-168.4	-114.9	0	0	0	110.9	W33 L37 I177 W192 I207 H215 W216 I219	W33-F211 HydrophobicContact CE3-CD2 4.45Å; W33-F211 HydrophobicContact CE3-CE2 4.12Å; W33-F211 HydrophobicContact CZ3-CD2 4.42Å; W33-F211 AromaticContact CZ3-CE2 3.98Å; W33-F211 HydrophobicContact CZ3-CE2 3.98Å; L37-F211 HydrophobicContact CD2-CE2 4.13Å; L37-F211 HydrophobicContact CD2-CZ 4.05Å; I177-F211 HydrophobicContact CD1-CD1 4.07Å; W192-F211 HydrophobicContact CH2-CE2 4.31Å; W192-F211 HydrophobicContact CZ3-CD2 4.43Å; W192-F211 AromaticContact CZ3-CE2 3.91Å; W192-F211 HydrophobicContact CZ3-CE2 3.91Å; W192-F211 HydrophobicContact CZ3-CZ 4.41Å; I207-F211 HydrophobicContact CB-CB 4.46Å; I207-F211 WeakPolarHBondContact O-CA 3.37Å; I207-F211 WeakPolarHBondContact O-CB 3.32Å; I207-F211 PolarHBondContact O-N 3.13Å; F211-H215 HydrophobicContact CD1-CB 4.31Å; F211-H215 HydrophobicContact CE1-CB 3.37Å; F211-H215 HydrophobicContact CZ-CB 3.51Å; F211-W216 AromaticContact CD1-CD1 3.84Å; F211-W216 PolarHBondContact O-NE1 2.69Å; F211-I219 HydrophobicContact CE1-CB 3.96Å; F211-I219 HydrophobicContact CE1-CD1 4.23Å; F211-I219 HydrophobicContact CE1-CG1 4.06Å; F211-I219 HydrophobicContact CE1-CG2 4.39Å; F211-I219 HydrophobicContact CZ-CB 4.41Å; F211-I219 HydrophobicContact CZ-CD1 3.86Å; F211-I219 HydrophobicContact CZ-CG1 4.21Å
212	P	97.1	Very high	97.6	Very high	27 Å²	27	43.1 Å²	43.1	18%	0.175	20%	0.202	C	C	.	.			trans	-61.3	138.4	-173.6	-24.7	35.7	0	0	0	113.3	W33 E214 H215 W216	W33-P212 HydrophobicContact CH2-CG 3.55Å; W33-P212 HydrophobicContact CZ2-CG 3.83Å; W33-P212 HydrophobicContact CZ3-CG 4.45Å; P212-E214 VanDerWaalsContact C-N 3.26Å; P212-E214 HydrophobicContact CB-CG 4.21Å; P212-E214 WeakPolarHBondContact CB-OE1 2.99Å; P212-E214 WeakPolarHBondContact CB-OE2 3.33Å; P212-E214 PolarHBondContact O-N 3.46Å; P212-H215 PolarHBondContact O-N 2.84Å; P212-H215 VanDerWaalsContact O-N 3.13Å; P212-W216 PolarHBondContact O-NE1 2.95Å
213	R	97	Very high	97.6	Very high	158 Å²	158	39 Å²	39	60%	0.596	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-65.3	-30.3	-170.5	-170.2	171.5	-176.5	-86.6	-2.7	112.8	V174 H215 W216	V174-R213 PolarHBondContact O-NH2 3.25Å; R213-H215 PolarHBondContact O-N 2.92Å; R213-W216 VanDerWaalsContact CA-CD1 3.48Å; R213-W216 HydrophobicContact CG-CD2 4.1Å; R213-W216 HydrophobicContact CG-CE3 4.33Å; R213-W216 HydrophobicContact CG-CG 4.41Å; R213-W216 WeakPolarHBondContact O-CB 3.05Å; R213-W216 PolarHBondContact O-N 3.02Å
214	E	97	Very high	97.6	Very high	132 Å²	132	39.4 Å²	39.4	62%	0.617	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-63.7	-5.2	175.5	66.1	-92.1	-149.9	0	0	114.4	P212	P212-E214 VanDerWaalsContact C-N 3.26Å; P212-E214 HydrophobicContact CB-CG 4.21Å; P212-E214 WeakPolarHBondContact CB-OE1 2.99Å; P212-E214 WeakPolarHBondContact CB-OE2 3.33Å; P212-E214 PolarHBondContact O-N 3.46Å
215	H	97.5	Very high	97.6	Very high	35 Å²	35	38.7 Å²	38.7	16%	0.162	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-117.4	3.7	178.4	-60	-22.9	0	0	0	113.1	R41 F211 P212 R213 D217 E218 I219	R41-H215 PolarHBondContact NH2-CE1 3.49Å; R41-H215 PolarHBondContact NH2-ND1 3.4Å; R41-H215 VanDerWaalsContact NH2-ND1 3.14Å; R41-H215 PolarHBondContact NH2-NE2 2.88Å; F211-H215 HydrophobicContact CD1-CB 4.31Å; F211-H215 HydrophobicContact CE1-CB 3.37Å; F211-H215 HydrophobicContact CZ-CB 3.51Å; P212-H215 PolarHBondContact O-N 2.84Å; P212-H215 VanDerWaalsContact O-N 3.13Å; R213-H215 PolarHBondContact O-N 2.92Å; H215-D217 VanDerWaalsContact C-N 3.34Å; H215-D217 PolarHBondContact O-N 3.41Å; H215-E218 HydrophobicContact CB-CG 4.15Å; H215-E218 IonicContact CG-OE1 2.7Å; H215-E218 IonicContact ND1-OE1 3.34Å; H215-E218 VanDerWaalsContact O-CG 3.24Å; H215-E218 WeakPolarHBondContact O-CG 3.38Å; H215-E218 PolarHBondContact O-N 3.27Å; H215-I219 PolarHBondContact O-N 3.15Å
216	W	98.4	Very high	97.6	Very high	32 Å²	32	34.2 Å²	34.2	12%	0.121	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-32.5	-173.8	-76.9	20.5	0	0	0	113.3	V174 I177 E208 F211 P212 R213	V174-W216 HydrophobicContact CG1-CB 3.69Å; V174-W216 HydrophobicContact CG1-CE3 4.2Å; I177-W216 HydrophobicContact CD1-CD2 4.11Å; I177-W216 HydrophobicContact CD1-CG 3.87Å; I177-W216 HydrophobicContact CG1-CB 3.86Å; I177-W216 HydrophobicContact CG1-CD2 3.74Å; I177-W216 HydrophobicContact CG1-CE3 4.24Å; I177-W216 HydrophobicContact CG1-CG 3.56Å; E208-W216 HydrophobicContact CB-CH2 3.96Å; E208-W216 HydrophobicContact CB-CZ2 3.72Å; E208-W216 HydrophobicContact CG-CH2 3.66Å; E208-W216 HydrophobicContact CG-CZ2 3.57Å; E208-W216 HydrophobicContact CG-CZ3 4.23Å; F211-W216 AromaticContact CD1-CD1 3.84Å; F211-W216 PolarHBondContact O-NE1 2.69Å; P212-W216 PolarHBondContact O-NE1 2.95Å; R213-W216 VanDerWaalsContact CA-CD1 3.48Å; R213-W216 HydrophobicContact CG-CD2 4.1Å; R213-W216 HydrophobicContact CG-CE3 4.33Å; R213-W216 HydrophobicContact CG-CG 4.41Å; R213-W216 WeakPolarHBondContact O-CB 3.05Å; R213-W216 PolarHBondContact O-N 3.02Å
217	D	96.2	Very high	97.6	Very high	73 Å²	73	33.2 Å²	33.2	39%	0.39	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-29	179	62.8	-21.2	0	0	0	113.1	Q168 V174 H215	Q168-D217 PolarHBondContact NE2-O 2.89Å; V174-D217 HydrophobicContact CG2-CB 3.9Å; H215-D217 VanDerWaalsContact C-N 3.34Å; H215-D217 PolarHBondContact O-N 3.41Å
218	E	96.8	Very high	97.7	Very high	32 Å²	32	35.6 Å²	35.6	15%	0.15	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-28	-179.7	59.5	156.2	-149.2	0	0	114.4	R41 H215 N220 W221 L222	R41-E218 IonicContact CZ-OE1 3.69Å; R41-E218 IonicContact CZ-OE2 3.28Å; R41-E218 IonicContact NE-OE1 2.61Å; R41-E218 PolarHBondContact NE-OE1 3.15Å; R41-E218 IonicContact NE-OE2 3.32Å; R41-E218 PolarHBondContact NE-OE2 3.01Å; R41-E218 VanDerWaalsContact NH2-CD 3.3Å; R41-E218 IonicContact NH2-OE1 3.81Å; R41-E218 PolarHBondContact NH2-OE1 2.9Å; R41-E218 IonicContact NH2-OE2 3.51Å; R41-E218 PolarHBondContact NH2-OE2 3.36Å; H215-E218 HydrophobicContact CB-CG 4.15Å; H215-E218 IonicContact CG-OE1 2.7Å; H215-E218 IonicContact ND1-OE1 3.34Å; H215-E218 VanDerWaalsContact O-CG 3.24Å; H215-E218 WeakPolarHBondContact O-CG 3.38Å; H215-E218 PolarHBondContact O-N 3.27Å; E218-N220 VanDerWaalsContact C-N 3.3Å; E218-N220 PolarHBondContact O-N 2.95Å; E218-W221 VanDerWaalsContact CA-NE1 3.32Å; E218-W221 HydrophobicContact CB-CZ2 4.16Å; E218-W221 PolarHBondContact O-NE1 2.92Å; E218-L222 WeakPolarHBondContact O-CB 3.46Å; E218-L222 PolarHBondContact O-N 3.5Å; E218-L222 VanDerWaalsContact O-N 3.12Å
219	I	98	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.8	-32.4	-163.5	-167.5	62.7	0	0	0	113.2	L37 I177 W192 F211 H215 L223	L37-I219 HydrophobicContact CD1-CD1 4.24Å; I177-I219 HydrophobicContact CB-CG2 4.43Å; I177-I219 HydrophobicContact CD1-CG2 4.33Å; I177-I219 HydrophobicContact CG1-CG2 4.24Å; I177-I219 HydrophobicContact CG2-CG2 3.39Å; W192-I219 HydrophobicContact CH2-CD1 4.27Å; W192-I219 HydrophobicContact CZ3-CD1 3.79Å; F211-I219 HydrophobicContact CE1-CB 3.96Å; F211-I219 HydrophobicContact CE1-CD1 4.23Å; F211-I219 HydrophobicContact CE1-CG1 4.06Å; F211-I219 HydrophobicContact CE1-CG2 4.39Å; F211-I219 HydrophobicContact CZ-CB 4.41Å; F211-I219 HydrophobicContact CZ-CD1 3.86Å; F211-I219 HydrophobicContact CZ-CG1 4.21Å; H215-I219 PolarHBondContact O-N 3.15Å; I219-L223 HydrophobicContact CD1-CD1 3.68Å; I219-L223 HydrophobicContact CD1-CD2 4.22Å; I219-L223 HydrophobicContact CD1-CG 3.67Å; I219-L223 HydrophobicContact CG1-CD1 3.88Å; I219-L223 HydrophobicContact CG1-CG 4.12Å; I219-L223 WeakPolarHBondContact O-CB 3.26Å; I219-L223 WeakPolarHBondContact O-CG 3.36Å; I219-L223 PolarHBondContact O-N 3.49Å; I219-L223 VanDerWaalsContact O-N 3.11Å
220	N	98.1	Very high	97.8	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-64.1	-66.8	179	-176.5	-80.5	0	0	0	111.1	E57 L165 G178 E218 L222 L223 V224	E57-N220 PolarHBondContact OE1-OD1 2.88Å; L165-N220 HydrophobicContact CD2-CB 4.23Å; G178-N220 PolarHBondContact O-ND2 3.28Å; E218-N220 VanDerWaalsContact C-N 3.3Å; E218-N220 PolarHBondContact O-N 2.95Å; N220-L222 PolarHBondContact O-N 2.92Å; N220-L223 PolarHBondContact O-N 2.91Å; N220-V224 WeakPolarHBondContact O-CB 3.46Å; N220-V224 WeakPolarHBondContact O-CG2 3.41Å; N220-V224 PolarHBondContact O-N 3.15Å
221	W	97.4	Very high	97.9	Very high	35 Å²	35	32.2 Å²	32.2	13%	0.133	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-34.5	-174.9	70.4	-98.8	0	0	0	111.7	R47 E218 G225	R47-W221 VanDerWaalsContact NH1-CH2 3.35Å; R47-W221 VanDerWaalsContact NH1-CZ3 3.31Å; R47-W221 VanDerWaalsContact NH2-CH2 3.29Å; E218-W221 VanDerWaalsContact CA-NE1 3.32Å; E218-W221 HydrophobicContact CB-CZ2 4.16Å; E218-W221 PolarHBondContact O-NE1 2.92Å; W221-G225 PolarHBondContact O-N 3.37Å
222	L	98.5	Very high	97.9	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-51.9	178	-177.3	68.3	0	0	0	111.4	L37 I40 R41 R44 E218 N220 F226	L37-L222 HydrophobicContact CD1-CD2 3.6Å; I40-L222 HydrophobicContact CG2-CD1 4Å; I40-L222 HydrophobicContact CG2-CD2 4Å; I40-L222 HydrophobicContact CG2-CG 3.72Å; R41-L222 HydrophobicContact CG-CD1 4.39Å; R41-L222 HydrophobicContact CG-CD2 3.96Å; R44-L222 HydrophobicContact CB-CD1 3.62Å; R44-L222 HydrophobicContact CG-CD1 3.89Å; E218-L222 WeakPolarHBondContact O-CB 3.46Å; E218-L222 PolarHBondContact O-N 3.5Å; E218-L222 VanDerWaalsContact O-N 3.12Å; N220-L222 PolarHBondContact O-N 2.92Å; L222-F226 WeakPolarHBondContact O-CB 3.28Å; L222-F226 PolarHBondContact O-N 3.13Å
223	L	98.8	Very high	97.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-76.1	-29.9	-179	-65	-168.4	0	0	0	112.9	I40 V183 I186 V187 I219 N220 F226 G227	I40-L223 HydrophobicContact CD1-CD2 3.87Å; I40-L223 HydrophobicContact CG2-CD2 4.13Å; V183-L223 HydrophobicContact CG1-CD1 4.14Å; V183-L223 HydrophobicContact CG2-CB 4Å; I186-L223 HydrophobicContact CB-CD1 4.49Å; I186-L223 HydrophobicContact CD1-CB 4.13Å; I186-L223 WeakPolarHBondContact CD1-O 3.39Å; I186-L223 HydrophobicContact CG2-CD1 4.27Å; I186-L223 HydrophobicContact CG2-CD2 4.04Å; V187-L223 HydrophobicContact CG2-CD1 4.02Å; I219-L223 HydrophobicContact CD1-CD1 3.68Å; I219-L223 HydrophobicContact CD1-CD2 4.22Å; I219-L223 HydrophobicContact CD1-CG 3.67Å; I219-L223 HydrophobicContact CG1-CD1 3.88Å; I219-L223 HydrophobicContact CG1-CG 4.12Å; I219-L223 WeakPolarHBondContact O-CB 3.26Å; I219-L223 WeakPolarHBondContact O-CG 3.36Å; I219-L223 PolarHBondContact O-N 3.49Å; I219-L223 VanDerWaalsContact O-N 3.11Å; N220-L223 PolarHBondContact O-N 2.91Å; L223-F226 HydrophobicContact CD2-CD1 4.42Å; L223-G227 PolarHBondContact O-N 3.34Å
224	V	98.5	Very high	97.8	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-59.9	-54.4	171.9	172.2	0	0	0	0	109.6	V51 H182 V183 N220 F226 G227 Q228	V51-V224 HydrophobicContact CB-CB 4.48Å; V51-V224 HydrophobicContact CB-CG1 3.76Å; V51-V224 HydrophobicContact CG1-CB 4.39Å; V51-V224 HydrophobicContact CG1-CG1 4.09Å; V51-V224 HydrophobicContact CG2-CB 4.21Å; V51-V224 HydrophobicContact CG2-CG1 3.72Å; H182-V224 HydrophobicContact CB-CB 4.49Å; H182-V224 HydrophobicContact CB-CG2 4.16Å; H182-V224 PolarHBondContact ND1-O 3.06Å; V183-V224 HydrophobicContact CG2-CG2 4.5Å; N220-V224 WeakPolarHBondContact O-CB 3.46Å; N220-V224 WeakPolarHBondContact O-CG2 3.41Å; N220-V224 PolarHBondContact O-N 3.15Å; V224-F226 PolarHBondContact O-N 2.9Å; V224-G227 CarbonylContact O-C 3.49Å; V224-G227 WeakPolarHBondContact O-CA 3.41Å; V224-G227 PolarHBondContact O-N 3.03Å; V224-Q228 HydrophobicContact CG1-CG 4.43Å; V224-Q228 WeakPolarHBondContact O-CG 3.43Å; V224-Q228 PolarHBondContact O-N 3.11Å
225	G	98.5	Very high	97.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.3	-44.5	179.3	0	0	0	0	0	112.4	W221 G227 Q228 Q229	W221-G225 PolarHBondContact O-N 3.37Å; G225-G227 VanDerWaalsContact C-N 3.26Å; G225-G227 PolarHBondContact O-N 2.95Å; G225-Q228 PolarHBondContact O-N 2.7Å; G225-Q228 VanDerWaalsContact O-N 3.12Å; G225-Q229 PolarHBondContact O-N 2.65Å; G225-Q229 VanDerWaalsContact O-N 3.09Å
226	F	98.8	Very high	97.6	Very high	4 Å²	4	37 Å²	37	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-58.5	-38.6	173.3	178	-122.5	0	0	0	112.3	I40 M43 R44 I186 L222 L223 V224 I230 C231	I40-F226 HydrophobicContact CD1-CD1 4.25Å; I40-F226 HydrophobicContact CD1-CE1 4.16Å; I40-F226 HydrophobicContact CG1-CD1 4.17Å; I40-F226 HydrophobicContact CG1-CE1 4.08Å; I40-F226 HydrophobicContact CG1-CE2 4.49Å; I40-F226 HydrophobicContact CG1-CG 4.44Å; I40-F226 HydrophobicContact CG1-CZ 4.26Å; I40-F226 HydrophobicContact CG2-CB 4.03Å; I40-F226 HydrophobicContact CG2-CD1 4.31Å; I40-F226 HydrophobicContact CG2-CD2 4.44Å; I40-F226 HydrophobicContact CG2-CG 4.03Å; M43-F226 HydrophobicContact CE-CD2 4.16Å; M43-F226 HydrophobicContact CE-CE2 3.45Å; M43-F226 VanDerWaalsContact CE-CE2 3.45Å; M43-F226 HydrophobicContact CE-CZ 4.04Å; M43-F226 HydrophobicContact SD-CE2 4.05Å; R44-F226 HydrophobicContact CG-CB 4.24Å; I186-F226 HydrophobicContact CD1-CD1 3.98Å; I186-F226 HydrophobicContact CG1-CD1 4.5Å; I186-F226 HydrophobicContact CG2-CD1 4.1Å; I186-F226 HydrophobicContact CG2-CE1 4.09Å; L222-F226 WeakPolarHBondContact O-CB 3.28Å; L222-F226 PolarHBondContact O-N 3.13Å; L223-F226 HydrophobicContact CD2-CD1 4.42Å; V224-F226 PolarHBondContact O-N 2.9Å; F226-I230 HydrophobicContact CD2-CB 3.75Å; F226-I230 HydrophobicContact CD2-CD1 4.01Å; F226-I230 HydrophobicContact CD2-CG1 4.25Å; F226-I230 HydrophobicContact CD2-CG2 4.32Å; F226-I230 HydrophobicContact CE2-CB 3.51Å; F226-I230 HydrophobicContact CE2-CD1 3.91Å; F226-I230 HydrophobicContact CE2-CG1 4.23Å; F226-I230 HydrophobicContact CE2-CG2 3.55Å; F226-I230 HydrophobicContact CZ-CB 4.38Å; F226-I230 HydrophobicContact CZ-CG2 4.15Å; F226-I230 CarbonylContact O-C 3.6Å; F226-I230 WeakPolarHBondContact O-CA 3.44Å; F226-I230 PolarHBondContact O-N 2.98Å; F226-C231 HydrophobicContact CD1-CB 3.81Å; F226-C231 HydrophobicContact CE1-CB 3.39Å; F226-C231 HydrophobicContact CE2-CB 4.46Å; F226-C231 HydrophobicContact CG-CB 4.49Å; F226-C231 HydrophobicContact CZ-CB 3.76Å; F226-C231 PolarHBondContact O-N 3.43Å
227	G	98.6	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-73.1	-27.3	176.9	0	0	0	0	0	114.6	R185 L223 V224 G225 R232	R185-G227 PolarHBondContact NH2-O 2.87Å; L223-G227 PolarHBondContact O-N 3.34Å; V224-G227 CarbonylContact O-C 3.49Å; V224-G227 WeakPolarHBondContact O-CA 3.41Å; V224-G227 PolarHBondContact O-N 3.03Å; G225-G227 VanDerWaalsContact C-N 3.26Å; G225-G227 PolarHBondContact O-N 2.95Å; G227-R232 WeakPolarHBondContact O-CA 3.49Å
228	Q	98.1	Very high	97.6	Very high	51 Å²	51	34.9 Å²	34.9	24%	0.238	18%	0.182	C	C	.	.	H	α-helix	trans	-73.6	-36.7	174.7	-72.9	173.5	-18.4	0	0	111.1	D85 V224 G225	D85-Q228 PolarHBondContact OD2-NE2 3.3Å; V224-Q228 HydrophobicContact CG1-CG 4.43Å; V224-Q228 WeakPolarHBondContact O-CG 3.43Å; V224-Q228 PolarHBondContact O-N 3.11Å; G225-Q228 PolarHBondContact O-N 2.7Å; G225-Q228 VanDerWaalsContact O-N 3.12Å
229	Q	98.1	Very high	97.5	Very high	45 Å²	45	40.2 Å²	40.2	21%	0.21	21%	0.205	C	C	.	.	H	α-helix	trans	-99.6	-47.7	-172.2	-64.7	175.1	-45	0	0	113.9	D48 A49 G225 R232	D48-Q229 PolarHBondContact O-NE2 3.44Å; D48-Q229 PolarHBondContact OD1-NE2 3.29Å; A49-Q229 HydrophobicContact CB-CG 4.11Å; G225-Q229 PolarHBondContact O-N 2.65Å; G225-Q229 VanDerWaalsContact O-N 3.09Å; Q229-R232 VanDerWaalsContact O-CZ 3.31Å; Q229-R232 PolarHBondContact O-NE 2.99Å; Q229-R232 PolarHBondContact O-NH2 2.87Å
230	I	98.3	Very high	97.4	Very high	19 Å²	19	45.4 Å²	45.4	10%	0.097	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-62	-168.1	-56.5	179.5	0	0	0	111.1	M43 F226 R232 P236 N237 C241	M43-I230 HydrophobicContact CB-CD1 3.89Å; M43-I230 HydrophobicContact CG-CD1 4.06Å; M43-I230 HydrophobicContact SD-CD1 3.5Å; M43-I230 VanDerWaalsContact SD-CD1 3.5Å; F226-I230 HydrophobicContact CD2-CB 3.75Å; F226-I230 HydrophobicContact CD2-CD1 4.01Å; F226-I230 HydrophobicContact CD2-CG1 4.25Å; F226-I230 HydrophobicContact CD2-CG2 4.32Å; F226-I230 HydrophobicContact CE2-CB 3.51Å; F226-I230 HydrophobicContact CE2-CD1 3.91Å; F226-I230 HydrophobicContact CE2-CG1 4.23Å; F226-I230 HydrophobicContact CE2-CG2 3.55Å; F226-I230 HydrophobicContact CZ-CB 4.38Å; F226-I230 HydrophobicContact CZ-CG2 4.15Å; F226-I230 CarbonylContact O-C 3.6Å; F226-I230 WeakPolarHBondContact O-CA 3.44Å; F226-I230 PolarHBondContact O-N 2.98Å; I230-R232 PolarHBondContact O-N 2.78Å; I230-P236 CarbonylContact O-C 3.35Å; I230-P236 WeakPolarHBondContact O-CA 3.39Å; I230-N237 PolarHBondContact O-N 3.16Å; I230-C241 HydrophobicContact CG2-CB 3.83Å
231	C	98.4	Very high	97.4	Very high	17 Å²	17	46.1 Å²	46.1	12%	0.115	24%	0.235	C	C	.	.	S	Bend	trans	-85.9	57.5	-175.7	-160.8	0	0	0	0	112.5	R185 I186 R189 F226	R185-C231 PolarHBondContact NE-O 3.47Å; R185-C231 VanDerWaalsContact NE-O 3.16Å; R185-C231 PolarHBondContact NH2-O 2.96Å; I186-C231 HydrophobicContact CD1-CB 4.24Å; I186-C231 HydrophobicContact CG1-CB 3.96Å; R189-C231 PolarHBondContact NH1-O 3.04Å; R189-C231 PolarHBondContact NH1-SG 3.3Å; F226-C231 HydrophobicContact CD1-CB 3.81Å; F226-C231 HydrophobicContact CE1-CB 3.39Å; F226-C231 HydrophobicContact CE2-CB 4.46Å; F226-C231 HydrophobicContact CG-CB 4.49Å; F226-C231 HydrophobicContact CZ-CB 3.76Å; F226-C231 PolarHBondContact O-N 3.43Å
232	R	97.8	Very high	97.5	Very high	113 Å²	113	48.3 Å²	48.3	43%	0.426	25%	0.248	S	C	.	.			trans	-64.1	154.7	-175.4	-58.7	176.9	-166.1	-179	1.9	112.7	R189 G227 Q229 I230 V234	R189-R232 PolarHBondContact NH1-O 3.06Å; R189-R232 PolarHBondContact NH2-O 3.18Å; R189-R232 VanDerWaalsContact NH2-O 3.12Å; G227-R232 WeakPolarHBondContact O-CA 3.49Å; Q229-R232 VanDerWaalsContact O-CZ 3.31Å; Q229-R232 PolarHBondContact O-NE 2.99Å; Q229-R232 PolarHBondContact O-NH2 2.87Å; I230-R232 PolarHBondContact O-N 2.78Å; R232-V234 WeakPolarHBondContact CB-O 3.28Å; R232-V234 PolarHBondContact O-N 3.25Å
233	P	96.3	Very high	97.5	Very high	79 Å²	79	48.3 Å²	48.3	51%	0.513	25%	0.248	S	C	.	.	S	Bend	trans	-56.1	-47.8	177.1	-24	32.4	0	0	0	113.1	R189	R189-P233 PolarHBondContact NH2-O 2.89Å
234	V	95.2	Very high	97.4	Very high	111 Å²	111	50.8 Å²	50.8	67%	0.673	26%	0.261	S	S	*	.	S	Bend	trans	-112.2	140.1	176.7	-179.5	0	0	0	0	108.7	R232	R232-V234 WeakPolarHBondContact CB-O 3.28Å; R232-V234 PolarHBondContact O-N 3.25Å
235	N	94.2	Very high	97.3	Very high	138 Å²	138	55.8 Å²	55.8	74%	0.738	30%	0.297	S	S	*	.	S	Bend	trans	43.4	63.3	178.2	-64.7	-17.6	0	0	0	112.9
236	P	97.5	Very high	97.2	Very high	14 Å²	14	57.9 Å²	57.9	9%	0.091	31%	0.307	C	S	.	.			trans	-56.5	145.1	175.9	26.7	-34.4	0	0	0	110.4	I230 C238 F253	I230-P236 CarbonylContact O-C 3.35Å; I230-P236 WeakPolarHBondContact O-CA 3.39Å; P236-C238 PolarHBondContact O-N 3.22Å; P236-F253 HydrophobicContact CG-CB 3.74Å; P236-F253 HydrophobicContact CG-CD1 3.66Å; P236-F253 HydrophobicContact CG-CD2 3.85Å; P236-F253 HydrophobicContact CG-CE1 4.2Å; P236-F253 HydrophobicContact CG-CE2 4.38Å; P236-F253 HydrophobicContact CG-CG 3.46Å; P236-F253 VanDerWaalsContact CG-CG 3.46Å
237	N	96.7	Very high	97.2	Very high	43 Å²	43	59 Å²	59	23%	0.23	32%	0.315	C	S	.	.			trans	-78.6	58.7	-177.5	-165.3	14.6	0	0	0	111.2	I230 K239 E240	I230-N237 PolarHBondContact O-N 3.16Å; N237-K239 PolarHBondContact O-N 3.15Å; N237-K239 VanDerWaalsContact O-N 3.16Å; N237-K239 WeakPolarHBondContact OD1-CE 3.28Å; N237-K239 WeakPolarHBondContact OD1-CG 3.5Å; N237-E240 WeakPolarHBondContact ND2-CG 3.3Å; N237-E240 PolarHBondContact O-N 3.49Å; N237-E240 VanDerWaalsContact O-N 3.13Å
238	C	97.1	Very high	97.1	Very high	18 Å²	18	61.5 Å²	61.5	12%	0.122	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-60	-26.8	-172.5	-75.1	0	0	0	0	113.6	P236 E240 C241 L244 H254	P236-C238 PolarHBondContact O-N 3.22Å; C238-E240 VanDerWaalsContact C-N 3.3Å; C238-E240 PolarHBondContact O-N 3.28Å; C238-C241 WeakPolarHBondContact O-CB 3.45Å; C238-C241 PolarHBondContact O-N 3.06Å; C238-L244 HydrophobicContact CB-CD1 4.07Å; C238-H254 HydrophobicContact CB-CB 4.24Å
239	K	95.3	Very high	97	Very high	144 Å²	144	60.2 Å²	60.2	63%	0.626	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-64	-31.6	177.2	58	167.3	-170.1	164.9	0	113.5	N237	N237-K239 PolarHBondContact O-N 3.15Å; N237-K239 VanDerWaalsContact O-N 3.16Å; N237-K239 WeakPolarHBondContact OD1-CE 3.28Å; N237-K239 WeakPolarHBondContact OD1-CG 3.5Å
240	E	95.8	Very high	96.7	Very high	110 Å²	110	58.7 Å²	58.7	51%	0.514	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-93.9	0.7	177.3	-52.3	-52.1	143.7	0	0	112	N237 C238	N237-E240 WeakPolarHBondContact ND2-CG 3.3Å; N237-E240 PolarHBondContact O-N 3.49Å; N237-E240 VanDerWaalsContact O-N 3.13Å; C238-E240 VanDerWaalsContact C-N 3.3Å; C238-E240 PolarHBondContact O-N 3.28Å
241	C	98.3	Very high	96.3	Very high	19 Å²	19	62.4 Å²	62.4	13%	0.128	35%	0.351	C	S	.	.			trans	-88	116.6	-174	-173	0	0	0	0	110.5	I230 C238 N243 L244	I230-C241 HydrophobicContact CG2-CB 3.83Å; C238-C241 WeakPolarHBondContact O-CB 3.45Å; C238-C241 PolarHBondContact O-N 3.06Å; C241-N243 PolarHBondContact O-N 3.38Å; C241-L244 VanDerWaalsContact O-CB 3.29Å; C241-L244 WeakPolarHBondContact O-CB 3.35Å; C241-L244 PolarHBondContact O-N 2.69Å
242	L	98.3	Very high	96	Very high	81 Å²	81	69.6 Å²	69.6	42%	0.424	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-17	175.5	-62.8	-175.9	0	0	0	113.5	N39 K42 M43	N39-L242 HydrophobicContact CB-CB 3.82Å; N39-L242 PolarHBondContact ND2-O 2.92Å; K42-L242 HydrophobicContact CB-CD1 4.15Å; K42-L242 HydrophobicContact CD-CD1 4.06Å; K42-L242 HydrophobicContact CG-CD1 4.05Å; M43-L242 HydrophobicContact CE-CB 4.16Å; M43-L242 HydrophobicContact CG-CB 4.33Å; M43-L242 HydrophobicContact CG-CD1 3.79Å; M43-L242 HydrophobicContact CG-CG 3.74Å; M43-L242 HydrophobicContact SD-CB 4.02Å; M43-L242 HydrophobicContact SD-CG 3.94Å; M43-L242 PolarHBondContact SD-N 3.25Å
243	N	98.4	Very high	95.4	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	2.8	175.4	-71	-34.8	0	0	0	114.4	Q36 N39 I40 C241 S245 I246 C247	Q36-N243 VanDerWaalsContact CA-OD1 3.31Å; Q36-N243 WeakPolarHBondContact CA-OD1 3.24Å; Q36-N243 PolarHBondContact O-ND2 3.22Å; Q36-N243 VanDerWaalsContact O-ND2 3.1Å; N39-N243 WeakPolarHBondContact CB-OD1 3.31Å; N39-N243 PolarHBondContact ND2-OD1 2.69Å; I40-N243 WeakPolarHBondContact CG1-ND2 3.49Å; C241-N243 PolarHBondContact O-N 3.38Å; N243-S245 VanDerWaalsContact C-N 3.31Å; N243-S245 PolarHBondContact O-N 3.37Å; N243-I246 HydrophobicContact CB-CG1 4.25Å; N243-I246 CarbonylContact O-C 3.55Å; N243-I246 PolarHBondContact O-N 3.01Å; N243-C247 HydrophobicContact CB-CB 4.41Å; N243-C247 WeakPolarHBondContact O-CA 3.36Å; N243-C247 WeakPolarHBondContact O-CB 3.42Å; N243-C247 PolarHBondContact O-N 3.44Å
244	L	97.3	Very high	94.6	Very high	53 Å²	53	67.4 Å²	67.4	28%	0.277	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-46.4	-173.2	177.4	61.7	0	0	0	113.4	C238 C241 I246 A250 H254	C238-L244 HydrophobicContact CB-CD1 4.07Å; C241-L244 VanDerWaalsContact O-CB 3.29Å; C241-L244 WeakPolarHBondContact O-CB 3.35Å; C241-L244 PolarHBondContact O-N 2.69Å; L244-I246 VanDerWaalsContact C-N 3.35Å; L244-I246 PolarHBondContact O-N 3.37Å; L244-A250 HydrophobicContact CD1-CB 3.96Å; L244-A250 VanDerWaalsContact O-CB 3.3Å; L244-A250 WeakPolarHBondContact O-CB 3.36Å; L244-H254 HydrophobicContact CD1-CB 4.09Å
245	S	96.4	Very high	93.4	Very high	112 Å²	112	70.9 Å²	70.9	78%	0.783	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.6	-177.6	55	0	0	0	0	114.2	N243	N243-S245 VanDerWaalsContact C-N 3.31Å; N243-S245 PolarHBondContact O-N 3.37Å
246	I	97.5	Very high	91.7	Very high	43 Å²	43	73.1 Å²	73.1	22%	0.221	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	3.5	-175	64.1	174.4	0	0	0	113.4	N32 V35 Q36 N243 L244	N32-I246 HydrophobicContact CB-CD1 4.34Å; V35-I246 HydrophobicContact CB-CD1 4.07Å; V35-I246 HydrophobicContact CG1-CD1 3.66Å; Q36-I246 HydrophobicContact CG-CD1 3.64Å; Q36-I246 HydrophobicContact CG-CG1 4.03Å; Q36-I246 PolarHBondContact NE2-O 3.07Å; N243-I246 HydrophobicContact CB-CG1 4.25Å; N243-I246 CarbonylContact O-C 3.55Å; N243-I246 PolarHBondContact O-N 3.01Å; L244-I246 VanDerWaalsContact C-N 3.35Å; L244-I246 PolarHBondContact O-N 3.37Å
247	C	97.8	Very high	89.6	Confident	28 Å²	28	78.3 Å²	78.3	19%	0.189	41%	0.408	C	S	.	.			trans	-88	119.4	179.6	177.6	0	0	0	0	109.9	L190 N243 S249 A250	L190-C247 HydrophobicContact CD2-CB 4.47Å; N243-C247 HydrophobicContact CB-CB 4.41Å; N243-C247 WeakPolarHBondContact O-CA 3.36Å; N243-C247 WeakPolarHBondContact O-CB 3.42Å; N243-C247 PolarHBondContact O-N 3.44Å; C247-S249 PolarHBondContact O-N 3.46Å; C247-S249 VanDerWaalsContact O-N 3.08Å; C247-A250 HydrophobicContact CB-CB 4.17Å; C247-A250 VanDerWaalsContact O-CB 3.32Å; C247-A250 WeakPolarHBondContact O-CB 3.46Å; C247-A250 PolarHBondContact O-N 2.71Å; C247-A250 VanDerWaalsContact O-N 3.07Å
248	P	96.2	Very high	87.1	Confident	53 Å²	53	85.7 Å²	85.7	34%	0.344	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10	-177.8	26.6	-33.5	0	0	0	114	R189 L190 K191	R189-P248 WeakPolarHBondContact O-CG 3.16Å; L190-P248 WeakPolarHBondContact O-CG 3.37Å; K191-P248 HydrophobicContact CB-CG 3.93Å; K191-P248 HydrophobicContact CD-CB 3.7Å; K191-P248 HydrophobicContact CD-CG 3.84Å; K191-P248 HydrophobicContact CG-CB 4.06Å; K191-P248 HydrophobicContact CG-CG 3.65Å
249	S	95.9	Very high	84.6	Confident	24 Å²	24	92.1 Å²	92.1	17%	0.168	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-0.9	175.1	-63.2	0	0	0	0	113.9	R189 C247 S251 K252 F253	R189-S249 VanDerWaalsContact CA-OG 3.27Å; R189-S249 WeakPolarHBondContact CA-OG 3.29Å; R189-S249 WeakPolarHBondContact O-CB 3.47Å; R189-S249 PolarHBondContact O-OG 3.33Å; C247-S249 PolarHBondContact O-N 3.46Å; C247-S249 VanDerWaalsContact O-N 3.08Å; S249-S251 VanDerWaalsContact C-N 3.33Å; S249-S251 PolarHBondContact O-N 2.72Å; S249-K252 WeakPolarHBondContact O-CB 3.45Å; S249-K252 PolarHBondContact O-N 2.88Å; S249-F253 VanDerWaalsContact O-CD2 3.31Å; S249-F253 WeakPolarHBondContact O-CD2 3.12Å
250	A	92.4	Very high	82.2	Confident	12 Å²	12	96.6 Å²	96.6	10%	0.099	50%	0.499	C	S	.	.	H	α-helix	trans	-57.7	-42.9	-174.7	0	0	0	0	0	113	L244 C247 K252 F253 H254	L244-A250 HydrophobicContact CD1-CB 3.96Å; L244-A250 VanDerWaalsContact O-CB 3.3Å; L244-A250 WeakPolarHBondContact O-CB 3.36Å; C247-A250 HydrophobicContact CB-CB 4.17Å; C247-A250 VanDerWaalsContact O-CB 3.32Å; C247-A250 WeakPolarHBondContact O-CB 3.46Å; C247-A250 PolarHBondContact O-N 2.71Å; C247-A250 VanDerWaalsContact O-N 3.07Å; A250-K252 PolarHBondContact O-N 3.38Å; A250-K252 VanDerWaalsContact O-N 3.14Å; A250-F253 PolarHBondContact O-N 2.66Å; A250-H254 PolarHBondContact O-N 3.44Å
251	S	90.5	Very high	81.5	Confident	98 Å²	98	95.9 Å²	95.9	69%	0.685	50%	0.499	S	S	*	.	H	α-helix	trans	-59.5	-26.2	-179.2	57.2	0	0	0	0	114	S249 F253	S249-S251 VanDerWaalsContact C-N 3.33Å; S249-S251 PolarHBondContact O-N 2.72Å; S251-F253 VanDerWaalsContact C-N 3.34Å
252	K	90.2	Very high	80.6	Confident	167 Å²	167	99.9 Å²	99.9	73%	0.726	52%	0.518	S	S	*	.	H	α-helix	trans	-72.1	-28.7	176.9	-175.7	174	178.8	174.1	0	112.6	S249 A250	S249-K252 WeakPolarHBondContact O-CB 3.45Å; S249-K252 PolarHBondContact O-N 2.88Å; A250-K252 PolarHBondContact O-N 3.38Å; A250-K252 VanDerWaalsContact O-N 3.14Å
253	F	86.5	Confident	79.6	Confident	69 Å²	69	101 Å²	101	30%	0.303	52%	0.523	S	S	.	.	H	α-helix	trans	-114.6	-20.6	-171.5	-58.9	-69.2	0	0	0	113.6	P236 S249 A250 S251	P236-F253 HydrophobicContact CG-CB 3.74Å; P236-F253 HydrophobicContact CG-CD1 3.66Å; P236-F253 HydrophobicContact CG-CD2 3.85Å; P236-F253 HydrophobicContact CG-CE1 4.2Å; P236-F253 HydrophobicContact CG-CE2 4.38Å; P236-F253 HydrophobicContact CG-CG 3.46Å; P236-F253 VanDerWaalsContact CG-CG 3.46Å; S249-F253 VanDerWaalsContact O-CD2 3.31Å; S249-F253 WeakPolarHBondContact O-CD2 3.12Å; A250-F253 PolarHBondContact O-N 2.66Å; S251-F253 VanDerWaalsContact C-N 3.34Å
254	H	78.5	Confident	78.5	Confident	78 Å²	78	106.9 Å²	106.9	36%	0.361	55%	0.554	S	S	.	*			trans	-122.6	95.2	178.8	-171.5	69.2	0	0	0	109.1	C238 L244 A250	C238-H254 HydrophobicContact CB-CB 4.24Å; L244-H254 HydrophobicContact CD1-CB 4.09Å; A250-H254 PolarHBondContact O-N 3.44Å
255	K	69.9	Low	77.4	Confident	184 Å²	184	110.3 Å²	110.3	80%	0.8	57%	0.571	S	S	*	*			trans	-76.9	120.5	164.9	-66.8	-177.9	-178.9	178.5	0	106.5	T257	K255-T257 PolarHBondContact O-N 3.11Å
256	K	58.9	Low	76.1	Confident	184 Å²	184	110.1 Å²	110.1	80%	0.8	56%	0.557	S	S	*	*			trans	-53.5	119.5	162.8	-72.2	-174.9	177.9	-177.1	0	106	K258	K256-K258 PolarHBondContact O-N 2.94Å
257	T	53.3	Low	74.6	Confident	124 Å²	124	114.9 Å²	114.9	76%	0.761	58%	0.581	S	S	*	*			trans	-52.2	114.7	165.8	16.6	0	0	0	0	105.9	K255 N259	K255-T257 PolarHBondContact O-N 3.11Å; T257-N259 VanDerWaalsContact C-N 3.34Å; T257-N259 PolarHBondContact O-N 3.49Å
258	K	44.1	Very low	72.8	Confident	197 Å²	197	121.6 Å²	121.6	86%	0.857	61%	0.611	S	S	*	*			trans	-62.4	107.7	164.6	-81.6	-174.5	173.6	-175.7	0	104.3	K256 I260	K256-K258 PolarHBondContact O-N 2.94Å; K258-I260 PolarHBondContact O-N 3.13Å; K258-I260 VanDerWaalsContact O-N 3.1Å
259	N	44.5	Very low	70.8	Confident	154 Å²	154	127.3 Å²	127.3	82%	0.824	63%	0.633	S	S	*	*			trans	-56.6	115.2	161.4	-69.6	-18.3	0	0	0	105.4	T257	T257-N259 VanDerWaalsContact C-N 3.34Å; T257-N259 PolarHBondContact O-N 3.49Å
260	I	45.1	Very low	68.5	Low	237 Å²	237	136.7 Å²	136.7	100%	1.215	68%	0.675	S	S	*	*			trans	-81.3	0	162.5	-64.7	174.3	0	0	0	105.9	K258	K258-I260 PolarHBondContact O-N 3.13Å; K258-I260 VanDerWaalsContact O-N 3.1Å

Retrieved 260 of 260 residues in 478.5 ms (Link to these results)

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