A0A096NV50_PAPAN Loading...

Cyclin-dependent kinase inhibitor 3

May play a role in cell cycle regulation. Dual specificity phosphatase active toward substrates containing either phosphotyrosine or phosphoserine residues.

AlphaFold DB , UniProt , Accession A0A096NV50, Species PAPAN (Papio anubis, Olive baboon), Gene CDKN3, Length 212 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	40.9	Very low	44	Very low	250 Å²	250	152.3 Å²	152.3	100%	1.232	84%	0.842	S	S	*	*				0	136.6	0	-85.7	165.1	150.8	0	0	108.6
2	K	34.4	Very low	44.1	Very low	210 Å²	210	156.3 Å²	156.3	91%	0.913	85%	0.845	S	S	*	*			trans	-68.1	166.6	179.6	-109.3	-178.3	174.4	176.7	0	112.5
3	P	64.7	Low	44.2	Very low	113 Å²	113	155.8 Å²	155.8	73%	0.734	84%	0.841	S	S	*	*			trans	-94.5	-176.3	-159.4	40.7	-37.5	0	0	0	113.9
4	P	46.9	Very low	44.5	Very low	123 Å²	123	151.1 Å²	151.1	80%	0.799	83%	0.826	S	S	*	*				-149.9	173.5	115.4	39.2	-22.6	0	0	0	112.2
5	S	38.3	Very low	45	Very low	104 Å²	104	147.6 Å²	147.6	73%	0.727	82%	0.817	S	S	*	*			cis	-168.5	130.1	-16.9	43.6	0	0	0	0	104.9
6	S	45.3	Very low	45.4	Very low	114 Å²	114	148 Å²	148	80%	0.797	82%	0.818	S	S	*	*			trans	-68.5	130	172.9	30.3	0	0	0	0	111.1
7	I	43.2	Very low	46	Very low	155 Å²	155	149 Å²	149	80%	0.795	82%	0.815	S	S	*	*			trans	-100.5	97	163.5	-61.4	170.7	0	0	0	106	T9	I7-T9 HydrophobicContact CG2-CG2 4.32Å
8	Q	43.1	Very low	46.4	Very low	183 Å²	183	149.9 Å²	149.9	86%	0.855	81%	0.812	S	S	*	*			trans	-87.5	109.9	159.4	-91.5	179.3	-30.3	0	0	106.8	S10	Q8-S10 PolarHBondContact O-N 3.31Å
9	T	40.9	Very low	46.7	Very low	125 Å²	125	148.2 Å²	148.2	77%	0.767	81%	0.81	S	S	*	*			trans	-71.6	102.9	162.6	40.9	0	0	0	0	107.5	I7 E11	I7-T9 HydrophobicContact CG2-CG2 4.32Å; T9-E11 PolarHBondContact O-N 2.97Å
10	S	41.2	Very low	47.4	Very low	106 Å²	106	146.3 Å²	146.3	74%	0.741	80%	0.797	S	S	*	*			trans	-69.9	112.7	170	53	0	0	0	0	109.1	Q8 F12	Q8-S10 PolarHBondContact O-N 3.31Å; S10-F12 PolarHBondContact O-N 2.86Å
11	E	44.6	Very low	48.4	Very low	192 Å²	192	146.8 Å²	146.8	90%	0.897	80%	0.795	S	S	*	*			trans	-60.5	109.9	163.6	-69.4	175.4	143.1	0	0	108.3	T9 D13	T9-E11 PolarHBondContact O-N 2.97Å; E11-D13 VanDerWaalsContact C-N 3.35Å; E11-D13 PolarHBondContact O-N 3.28Å
12	F	45.5	Very low	49.9	Very low	201 Å²	201	137.1 Å²	137.1	88%	0.882	75%	0.748	S	S	*	*			trans	-89.5	83.2	169.5	-157.6	-91.2	0	0	0	106.1	S10	S10-F12 PolarHBondContact O-N 2.86Å
13	D	46.3	Very low	52	Low	149 Å²	149	131.3 Å²	131.3	80%	0.797	72%	0.724	S	S	*	*			trans	-78.7	123.3	174.6	-164.4	8.6	0	0	0	109.2	E11 S15	E11-D13 VanDerWaalsContact C-N 3.35Å; E11-D13 PolarHBondContact O-N 3.28Å; D13-S15 PolarHBondContact O-N 2.9Å
14	S	47.2	Very low	52.7	Low	90 Å²	90	133 Å²	133	63%	0.629	72%	0.722	S	S	*	*			trans	-59.4	117	-176.5	174.9	0	0	0	0	109.2	D16	S14-D16 PolarHBondContact O-N 3.5Å
15	S	52.2	Low	54.7	Low	99 Å²	99	130.4 Å²	130.4	69%	0.692	70%	0.704	S	S	*	*			trans	-61.9	104.3	170.9	59	0	0	0	0	109.3	D13 E17	D13-S15 PolarHBondContact O-N 2.9Å; S15-E17 VanDerWaalsContact C-N 3.27Å; S15-E17 PolarHBondContact O-N 3.33Å
16	D	51.3	Low	57.2	Low	154 Å²	154	128.9 Å²	128.9	82%	0.824	69%	0.692	S	S	*	*			trans	-53.1	94.1	155.7	-87.3	-29.5	0	0	0	107.9	S14 E18	S14-D16 PolarHBondContact O-N 3.5Å; D16-E18 PolarHBondContact O-N 2.93Å; D16-E18 VanDerWaalsContact O-N 3.14Å
17	E	56.6	Low	59.5	Low	165 Å²	165	124.3 Å²	124.3	77%	0.771	66%	0.658	S	S	*	*			trans	-72.7	102.1	160.6	-68	-136.3	146	0	0	106.5	S15	S15-E17 VanDerWaalsContact C-N 3.27Å; S15-E17 PolarHBondContact O-N 3.33Å
18	E	51.8	Low	61.9	Low	165 Å²	165	123.6 Å²	123.6	77%	0.771	65%	0.651	S	S	*	*			trans	-42.4	132.9	166	-71.5	-110.6	141.9	0	0	109.2	D16 I20	D16-E18 PolarHBondContact O-N 2.93Å; D16-E18 VanDerWaalsContact O-N 3.14Å; E18-I20 PolarHBondContact O-N 3.29Å
19	P	53.8	Low	64.6	Low	117 Å²	117	116.2 Å²	116.2	76%	0.76	62%	0.617	S	S	*	*			trans	-61.4	103.2	180	23.7	-31.1	0	0	0	109	E21	P19-E21 PolarHBondContact O-N 3.38Å
20	I	60.1	Low	67.3	Low	110 Å²	110	111.5 Å²	111.5	56%	0.564	59%	0.589	S	S	*	*			trans	-59.2	109.8	174.9	-57.5	169.8	0	0	0	106.9	E18	E18-I20 PolarHBondContact O-N 3.29Å
21	E	67.1	Low	70	Confident	158 Å²	158	110.6 Å²	110.6	74%	0.738	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-60.4	138.7	-178	-71.2	-169.1	161.9	0	0	111	P19	P19-E21 PolarHBondContact O-N 3.38Å
22	D	73.9	Confident	72.6	Confident	47 Å²	47	101.8 Å²	101.8	25%	0.251	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-64	140.1	172.6	-78.1	-24.4	0	0	0	109.4	Q24 K52	D22-Q24 PolarHBondContact O-N 3.2Å; D22-K52 VanDerWaalsContact OD1-CE 3.31Å; D22-K52 WeakPolarHBondContact OD1-CE 3.43Å; D22-K52 IonicContact OD1-NZ 2.86Å; D22-K52 PolarHBondContact OD1-NZ 3.04Å; D22-K52 IonicContact OD2-NZ 3.57Å; D22-K52 PolarHBondContact OD2-NZ 3.13Å
23	E	78.6	Confident	75.1	Confident	87 Å²	87	94.3 Å²	94.3	41%	0.407	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-56	123.4	173.3	-168.6	-174.1	-179.4	0	0	109.8	T25 R57 R58	E23-T25 HydrophobicContact CG-CG2 4.04Å; E23-T25 WeakPolarHBondContact CG-OG1 3.37Å; E23-T25 PolarHBondContact OE1-OG1 3Å; E23-R57 WeakPolarHBondContact CB-O 3.5Å; E23-R57 PolarHBondContact N-O 2.89Å; E23-R58 IonicContact OE1-NH1 3.72Å; E23-R58 IonicContact OE2-CZ 3.89Å; E23-R58 IonicContact OE2-NH1 2.73Å; E23-R58 PolarHBondContact OE2-NH1 3.44Å
24	Q	78.9	Confident	77.5	Confident	150 Å²	150	87.2 Å²	87.2	70%	0.701	46%	0.464	S	S	*	.			trans	-92.7	-0.8	-178.6	-58.8	-166.9	12.1	0	0	113.4	D22	D22-Q24 PolarHBondContact O-N 3.2Å
25	T	88.4	Confident	79.8	Confident	67 Å²	67	86.3 Å²	86.3	41%	0.411	46%	0.458	S	S	.	.	S	Bend	trans	-68.4	137.3	-179.1	66.4	0	0	0	0	110.3	E23 R58	E23-T25 HydrophobicContact CG-CG2 4.04Å; E23-T25 WeakPolarHBondContact CG-OG1 3.37Å; E23-T25 PolarHBondContact OE1-OG1 3Å; T25-R58 PolarHBondContact O-NH1 3.08Å; T25-R58 PolarHBondContact O-NH2 3.26Å; T25-R58 PolarHBondContact OG1-NH1 3.02Å
26	P	90.5	Very high	81.7	Confident	73 Å²	73	87.1 Å²	87.1	47%	0.474	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-59.7	143.8	173.3	-24.8	34.2	0	0	0	111.8	Q28	P26-Q28 PolarHBondContact O-N 3.34Å; P26-Q28 PolarHBondContact O-NE2 3.46Å
27	I	93.5	Very high	83.8	Confident	18 Å²	18	80.1 Å²	80.1	9%	0.092	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-62.9	127.6	178.5	-170.3	167.9	0	0	0	110.7	C46 P49 D63 E66 L67	I27-C46 HydrophobicContact CD1-CB 4.47Å; I27-P49 HydrophobicContact CD1-CB 3.79Å; I27-P49 HydrophobicContact CD1-CG 3.52Å; I27-D63 HydrophobicContact CD1-CB 4.49Å; I27-E66 HydrophobicContact CG2-CB 4.32Å; I27-E66 HydrophobicContact CG2-CG 4.03Å; I27-L67 HydrophobicContact CG2-CD2 3.85Å; I27-L67 HydrophobicContact CG2-CG 4.24Å
28	Q	95.3	Very high	85.6	Confident	140 Å²	140	79.9 Å²	79.9	65%	0.654	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-86.1	125.1	-178.1	-61.8	-59.4	-54.1	0	0	111	P26 C46	P26-Q28 PolarHBondContact O-N 3.34Å; P26-Q28 PolarHBondContact O-NE2 3.46Å; Q28-C46 WeakPolarHBondContact O-CB 3.27Å
29	I	98.1	Very high	87.6	Confident	27 Å²	27	73.1 Å²	73.1	14%	0.138	38%	0.383	C	S	.	.			trans	-110.5	122.4	173.8	-53.2	175.3	0	0	0	108.9	W31 L67 I72 L137	I29-W31 HydrophobicContact CB-CZ2 4.36Å; I29-W31 HydrophobicContact CD1-CZ2 4.17Å; I29-W31 HydrophobicContact CG2-CD2 4.08Å; I29-W31 HydrophobicContact CG2-CH2 4.22Å; I29-W31 HydrophobicContact CG2-CZ2 3.71Å; I29-L67 HydrophobicContact CD1-CD2 3.67Å; I29-L67 HydrophobicContact CG1-CD2 4.24Å; I29-I72 HydrophobicContact CD1-CD1 4.29Å; I29-I72 HydrophobicContact CD1-CG1 4.49Å; I29-L137 HydrophobicContact CG1-CD1 4.48Å; I29-L137 HydrophobicContact CG2-CD1 3.81Å
30	S	98.4	Very high	89.5	Confident	26 Å²	26	72.3 Å²	72.3	18%	0.182	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.3	170.6	-56.7	0	0	0	0	109.4	G44 L45 R175	S30-G44 CarbonylContact O-C 2.99Å; S30-L45 PolarHBondContact N-O 3.34Å; S30-L45 PolarHBondContact O-N 3.45Å; S30-R175 PolarHBondContact OG-NH1 3.18Å
31	W	98.4	Very high	91.3	Very high	87 Å²	87	68.4 Å²	68.4	33%	0.33	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	110.1	-177.3	-65.6	100.3	0	0	0	111.3	I29 S33 F42 I72 K135	I29-W31 HydrophobicContact CB-CZ2 4.36Å; I29-W31 HydrophobicContact CD1-CZ2 4.17Å; I29-W31 HydrophobicContact CG2-CD2 4.08Å; I29-W31 HydrophobicContact CG2-CH2 4.22Å; I29-W31 HydrophobicContact CG2-CZ2 3.71Å; W31-S33 PolarHBondContact O-N 3.47Å; W31-F42 HydrophobicContact CB-CB 4.26Å; W31-F42 HydrophobicContact CB-CD1 4.07Å; W31-F42 HydrophobicContact CE3-CB 3.97Å; W31-I72 HydrophobicContact CH2-CD1 3.64Å; W31-I72 HydrophobicContact CZ2-CD1 4.22Å; W31-K135 HydrophobicContact CH2-CD 4.21Å; W31-K135 HydrophobicContact CH2-CG 3.89Å; W31-K135 HydrophobicContact CZ3-CG 4.3Å
32	L	98.4	Very high	92.8	Very high	7 Å²	7	66 Å²	66	4%	0.037	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	117.4	174.3	-178.6	61.4	0	0	0	109.9	L34 F42 L43 L45 A151 L155 L171 L174	L32-L34 HydrophobicContact CD2-CD2 4.12Å; L32-L34 HydrophobicContact CG-CD2 4.2Å; L32-F42 CarbonylContact O-C 3.58Å; L32-F42 WeakPolarHBondContact O-CA 3.35Å; L32-L43 HydrophobicContact CB-CB 4.38Å; L32-L43 PolarHBondContact N-O 2.84Å; L32-L43 PolarHBondContact O-N 3.45Å; L32-L45 HydrophobicContact CB-CD1 4.15Å; L32-A151 HydrophobicContact CD2-CB 4.02Å; L32-L155 HydrophobicContact CD2-CD1 4.4Å; L32-L155 HydrophobicContact CD2-CD2 4.43Å; L32-L155 HydrophobicContact CD2-CG 4.46Å; L32-L171 HydrophobicContact CD2-CD1 4.15Å; L32-L174 HydrophobicContact CB-CD2 3.66Å; L32-L174 HydrophobicContact CD1-CD2 4.08Å; L32-L174 HydrophobicContact CG-CD2 4.39Å
33	S	97.9	Very high	94	Very high	45 Å²	45	63.7 Å²	63.7	32%	0.315	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.9	171	-170.8	0	0	0	0	110.8	W31 S35	W31-S33 PolarHBondContact O-N 3.47Å; S33-S35 PolarHBondContact OG-OG 3.43Å
34	L	97.5	Very high	94.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.315	C	S	.	.			trans	-96.7	13.7	177.2	-55	178.9	0	0	0	112.8	L32 R36 V37 C39 Q41 L130 L155	L32-L34 HydrophobicContact CD2-CD2 4.12Å; L32-L34 HydrophobicContact CG-CD2 4.2Å; L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 3.12Å; L34-V37 HydrophobicContact CB-CG2 3.94Å; L34-V37 CarbonylContact O-C 3.27Å; L34-V37 WeakPolarHBondContact O-CG2 3.42Å; L34-V37 PolarHBondContact O-N 2.88Å; L34-C39 CarbonylContact C-O 3.56Å; L34-C39 HydrophobicContact CB-CB 3.68Å; L34-C39 HydrophobicContact CD1-CB 4.48Å; L34-C39 PolarHBondContact O-N 3.35Å; L34-C39 VanDerWaalsContact O-N 3.08Å; L34-C39 VanDerWaalsContact O-O 3.06Å; L34-Q41 WeakPolarHBondContact CB-O 3.23Å; L34-Q41 PolarHBondContact N-O 2.95Å; L34-Q41 VanDerWaalsContact N-O 3.1Å; L34-L130 HydrophobicContact CD1-CD1 3.59Å; L34-L130 HydrophobicContact CD1-CD2 3.76Å; L34-L130 HydrophobicContact CD1-CG 4.35Å; L34-L155 HydrophobicContact CD2-CD2 3.78Å
35	S	95.7	Very high	95.9	Very high	71 Å²	71	52.4 Å²	52.4	50%	0.497	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-61.5	-34.4	-178.4	61.1	0	0	0	0	112.7	S33 V37 N38 C39	S33-S35 PolarHBondContact OG-OG 3.43Å; S35-V37 PolarHBondContact O-N 3.46Å; S35-V37 VanDerWaalsContact O-N 3.12Å; S35-N38 PolarHBondContact O-N 3Å; S35-C39 WeakPolarHBondContact CA-O 3.45Å; S35-C39 PolarHBondContact N-O 3.43Å; S35-C39 VanDerWaalsContact N-O 3.15Å
36	R	92.4	Very high	96.4	Very high	116 Å²	116	49.2 Å²	49.2	44%	0.438	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-60.5	-19.7	175.4	-64.5	-176	72.3	177.7	6.7	113.4	L34 Q166 S170	L34-R36 VanDerWaalsContact C-N 3.26Å; L34-R36 PolarHBondContact O-N 3.12Å; R36-Q166 PolarHBondContact NH1-O 2.87Å; R36-S170 PolarHBondContact NH1-OG 3.47Å
37	V	94.8	Very high	96.7	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.036	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-115.4	29.9	177.6	-58.8	0	0	0	0	111.1	L34 S35 C39 L155 L158 I162	L34-V37 HydrophobicContact CB-CG2 3.94Å; L34-V37 CarbonylContact O-C 3.27Å; L34-V37 WeakPolarHBondContact O-CG2 3.42Å; L34-V37 PolarHBondContact O-N 2.88Å; S35-V37 PolarHBondContact O-N 3.46Å; S35-V37 VanDerWaalsContact O-N 3.12Å; V37-C39 HydrophobicContact CG2-CB 4.49Å; V37-C39 PolarHBondContact O-N 3.33Å; V37-C39 VanDerWaalsContact O-N 3.17Å; V37-L155 HydrophobicContact CG1-CB 4.24Å; V37-L155 HydrophobicContact CG1-CD2 3.88Å; V37-L155 WeakPolarHBondContact CG1-O 3.42Å; V37-L155 HydrophobicContact CG2-CD2 3.99Å; V37-L158 HydrophobicContact CB-CB 3.99Å; V37-L158 HydrophobicContact CG2-CB 3.95Å; V37-L158 HydrophobicContact CG2-CD1 3.94Å; V37-I162 HydrophobicContact CG1-CD1 4.34Å; V37-I162 HydrophobicContact CG1-CG2 4.43Å
38	N	93.9	Very high	96.9	Very high	160 Å²	160	47.1 Å²	47.1	86%	0.856	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	28.9	176.6	-57.9	-42.3	0	0	0	114.6	S35	S35-N38 PolarHBondContact O-N 3Å
39	C	93.8	Very high	97	Very high	24 Å²	24	40.4 Å²	40.4	16%	0.162	22%	0.221	C	C	.	.			trans	-116	125.8	175.4	-173.9	0	0	0	0	109.9	L34 S35 V37 Q41	L34-C39 CarbonylContact C-O 3.56Å; L34-C39 HydrophobicContact CB-CB 3.68Å; L34-C39 HydrophobicContact CD1-CB 4.48Å; L34-C39 PolarHBondContact O-N 3.35Å; L34-C39 VanDerWaalsContact O-N 3.08Å; L34-C39 VanDerWaalsContact O-O 3.06Å; S35-C39 WeakPolarHBondContact CA-O 3.45Å; S35-C39 PolarHBondContact N-O 3.43Å; S35-C39 VanDerWaalsContact N-O 3.15Å; V37-C39 HydrophobicContact CG2-CB 4.49Å; V37-C39 PolarHBondContact O-N 3.33Å; V37-C39 VanDerWaalsContact O-N 3.17Å; C39-Q41 PolarHBondContact O-N 3.19Å
40	S	95.1	Very high	97	Very high	99 Å²	99	39.2 Å²	39.2	69%	0.692	22%	0.215	S	C	*	.			trans	-75.7	0.9	-178.2	63.6	0	0	0	0	114.3
41	Q	97.3	Very high	96.9	Very high	29 Å²	29	38.2 Å²	38.2	14%	0.136	21%	0.208	C	C	.	.			trans	-95.3	171.4	-174.4	-70.3	174.9	89.1	0	0	112.5	L34 C39 L130 Y133	L34-Q41 WeakPolarHBondContact CB-O 3.23Å; L34-Q41 PolarHBondContact N-O 2.95Å; L34-Q41 VanDerWaalsContact N-O 3.1Å; C39-Q41 PolarHBondContact O-N 3.19Å; Q41-L130 HydrophobicContact CB-CD2 3.89Å; Q41-L130 VanDerWaalsContact NE2-C 3.26Å; Q41-L130 PolarHBondContact NE2-O 3.14Å; Q41-L130 PolarHBondContact OE1-O 2.97Å; Q41-Y133 HydrophobicContact CG-CD1 4.48Å
42	F	98.3	Very high	96.7	Very high	106 Å²	106	36.7 Å²	36.7	47%	0.465	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.2	176.1	-65.9	-100.8	0	0	0	109.9	W31 L32	W31-F42 HydrophobicContact CB-CB 4.26Å; W31-F42 HydrophobicContact CB-CD1 4.07Å; W31-F42 HydrophobicContact CE3-CB 3.97Å; L32-F42 CarbonylContact O-C 3.58Å; L32-F42 WeakPolarHBondContact O-CA 3.35Å
43	L	98.8	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.9	171.4	-173.3	66.3	0	0	0	109.6	L32 L45 L126 T136 I138 A151 L154	L32-L43 HydrophobicContact CB-CB 4.38Å; L32-L43 PolarHBondContact N-O 2.84Å; L32-L43 PolarHBondContact O-N 3.45Å; L43-L45 HydrophobicContact CG-CD1 4.38Å; L43-L126 HydrophobicContact CD1-CD2 4.11Å; L43-T136 HydrophobicContact CD1-CG2 3.91Å; L43-I138 HydrophobicContact CD1-CG2 3.98Å; L43-I138 HydrophobicContact CD2-CD1 3.94Å; L43-I138 HydrophobicContact CD2-CG1 4.49Å; L43-I138 HydrophobicContact CD2-CG2 4.36Å; L43-I138 HydrophobicContact CG-CG2 4.36Å; L43-A151 HydrophobicContact CD2-CB 4.25Å; L43-L154 HydrophobicContact CD2-CD2 3.77Å
44	G	98.7	Very high	96.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	139.9	177.5	0	0	0	0	0	111.8	S30 T136 L137 I138	S30-G44 CarbonylContact O-C 2.99Å; G44-T136 PolarHBondContact N-O 3.18Å; G44-L137 VanDerWaalsContact C-CD1 3.42Å; G44-L137 WeakPolarHBondContact O-CA 3.34Å; G44-L137 WeakPolarHBondContact O-CD1 3.08Å; G44-I138 PolarHBondContact O-N 3.13Å
45	L	98.8	Very high	95.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.2	169.8	-75.2	78.1	0	0	0	109.9	S30 L32 L43 I138 A151 L171 L174 R175	S30-L45 PolarHBondContact N-O 3.34Å; S30-L45 PolarHBondContact O-N 3.45Å; L32-L45 HydrophobicContact CB-CD1 4.15Å; L43-L45 HydrophobicContact CG-CD1 4.38Å; L45-I138 WeakPolarHBondContact CA-O 3.44Å; L45-I138 HydrophobicContact CD1-CD1 4.38Å; L45-I138 HydrophobicContact CD1-CG1 4.28Å; L45-I138 HydrophobicContact CG-CD1 4.13Å; L45-I138 HydrophobicContact CG-CG1 3.85Å; L45-A151 HydrophobicContact CD1-CB 4.44Å; L45-A151 HydrophobicContact CD2-CB 4.32Å; L45-L171 HydrophobicContact CD2-CD1 4.12Å; L45-L174 HydrophobicContact CD1-CD2 4.09Å; L45-L174 HydrophobicContact CD2-CD2 4.41Å; L45-R175 HydrophobicContact CD2-CG 4.32Å
46	C	98.3	Very high	95.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	173.2	170.9	68.5	0	0	0	0	112.4	I27 Q28 L137 I138 H139 G143	I27-C46 HydrophobicContact CD1-CB 4.47Å; Q28-C46 WeakPolarHBondContact O-CB 3.27Å; C46-L137 HydrophobicContact CB-CD1 4.24Å; C46-I138 PolarHBondContact N-O 3.41Å; C46-H139 WeakPolarHBondContact O-CB 3.4Å; C46-G143 WeakPolarHBondContact O-CA 3.31Å
47	A	97.7	Very high	95.6	Very high	42 Å²	42	49.3 Å²	49.3	35%	0.347	26%	0.258	S	S	.	.			trans	-82.3	172.5	166.1	0	0	0	0	0	110.6	P49	A47-P49 WeakPolarHBondContact O-CD 3.47Å
48	L	98.3	Very high	95.6	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.26	C	S	.	.			trans	-58.7	115.2	-175.8	-178.8	61.3	0	0	0	112.5	C51 L84 Y87 V89 L92 C140 Y141	L48-C51 HydrophobicContact CB-CB 4.12Å; L48-C51 HydrophobicContact CD2-CB 4.25Å; L48-C51 HydrophobicContact CG-CB 4.2Å; L48-C51 VanDerWaalsContact O-CB 3.28Å; L48-C51 WeakPolarHBondContact O-CB 3.45Å; L48-C51 PolarHBondContact O-N 3.16Å; L48-L84 HydrophobicContact CD1-CD2 4.18Å; L48-Y87 HydrophobicContact CD2-CD2 3.54Å; L48-Y87 HydrophobicContact CD2-CG 3.79Å; L48-V89 HydrophobicContact CD1-CG2 4.21Å; L48-V89 HydrophobicContact CD2-CG2 4.01Å; L48-V89 HydrophobicContact CG-CG2 4.28Å; L48-L92 HydrophobicContact CD1-CD2 3.64Å; L48-C140 PolarHBondContact N-O 3.07Å; L48-Y141 HydrophobicContact CB-CD2 4.45Å; L48-Y141 WeakPolarHBondContact CB-O 3.42Å; L48-Y141 HydrophobicContact CD2-CD2 4.18Å; L48-Y141 PolarHBondContact N-O 3.4Å
49	P	97.9	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	138.6	175.8	-26.1	41.1	0	0	0	111.1	I27 A47 C51 D63 L67 Y96	I27-P49 HydrophobicContact CD1-CB 3.79Å; I27-P49 HydrophobicContact CD1-CG 3.52Å; A47-P49 WeakPolarHBondContact O-CD 3.47Å; P49-C51 PolarHBondContact O-N 3.12Å; P49-D63 HydrophobicContact CB-CB 3.94Å; P49-L67 HydrophobicContact CB-CD1 4.29Å; P49-L67 HydrophobicContact CG-CD1 3.89Å; P49-Y96 WeakPolarHBondContact CB-OH 3.31Å; P49-Y96 WeakPolarHBondContact CD-OH 3.32Å; P49-Y96 WeakPolarHBondContact CG-OH 3.22Å
50	G	96.9	Very high	95.8	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	10.4	-178.8	0	0	0	0	0	115.6	K52 R58 D63 V89	G50-K52 PolarHBondContact O-N 3.27Å; G50-R58 CarbonylContact C-O 3.58Å; G50-D63 PolarHBondContact N-OD2 3.43Å; G50-V89 WeakPolarHBondContact O-CG1 3.27Å
51	C	96.7	Very high	95.7	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.034	21%	0.211	C	C	.	.			trans	-53.2	129.6	-178.5	-179.1	0	0	0	0	112.3	L48 P49 V56 R58	L48-C51 HydrophobicContact CB-CB 4.12Å; L48-C51 HydrophobicContact CD2-CB 4.25Å; L48-C51 HydrophobicContact CG-CB 4.2Å; L48-C51 VanDerWaalsContact O-CB 3.28Å; L48-C51 WeakPolarHBondContact O-CB 3.45Å; L48-C51 PolarHBondContact O-N 3.16Å; P49-C51 PolarHBondContact O-N 3.12Å; C51-V56 HydrophobicContact CB-CG1 4.15Å; C51-R58 PolarHBondContact O-N 2.7Å
52	K	94.7	Very high	95.6	Very high	56 Å²	56	47.6 Å²	47.6	24%	0.243	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	92.1	169	-65.3	-172.7	174.9	-157.5	0	110.3	D22 G50 V56 R58 Y87 R88	D22-K52 VanDerWaalsContact OD1-CE 3.31Å; D22-K52 WeakPolarHBondContact OD1-CE 3.43Å; D22-K52 IonicContact OD1-NZ 2.86Å; D22-K52 PolarHBondContact OD1-NZ 3.04Å; D22-K52 IonicContact OD2-NZ 3.57Å; D22-K52 PolarHBondContact OD2-NZ 3.13Å; G50-K52 PolarHBondContact O-N 3.27Å; K52-V56 CarbonylContact C-O 3.49Å; K52-V56 WeakPolarHBondContact CA-O 3.17Å; K52-R58 WeakPolarHBondContact CE-O 3.33Å; K52-Y87 PolarHBondContact N-O 2.94Å; K52-Y87 VanDerWaalsContact N-O 3.13Å; K52-R88 HydrophobicContact CB-CB 4.17Å; K52-R88 HydrophobicContact CB-CG 4.34Å
53	F	93.8	Very high	95.6	Very high	57 Å²	57	42.9 Å²	42.9	25%	0.25	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	134.3	-177.8	-166.8	-106.5	0	0	0	112.7	D55 V56 Y87 Y141	F53-D55 PolarHBondContact O-N 2.98Å; F53-V56 PolarHBondContact N-O 3.27Å; F53-V56 PolarHBondContact O-N 3.49Å; F53-Y87 HydrophobicContact CB-CD1 3.7Å; F53-Y87 HydrophobicContact CB-CE1 4.13Å; F53-Y87 HydrophobicContact CD1-CD1 4.32Å; F53-Y87 AromaticContact CD1-CE1 3.87Å; F53-Y87 HydrophobicContact CD1-CE1 3.87Å; F53-Y87 AromaticContact CD2-CD1 3.79Å; F53-Y87 HydrophobicContact CD2-CD1 3.79Å; F53-Y87 AromaticContact CD2-CE1 3.84Å; F53-Y87 HydrophobicContact CD2-CE1 3.84Å; F53-Y87 HydrophobicContact CE1-CE1 4.22Å; F53-Y87 HydrophobicContact CE2-CE1 4.21Å; F53-Y87 AromaticContact CG-CD1 3.68Å; F53-Y87 HydrophobicContact CG-CD1 3.68Å; F53-Y87 AromaticContact CG-CE1 3.67Å; F53-Y87 HydrophobicContact CG-CE1 3.67Å; F53-Y87 HydrophobicContact CZ-CE1 4.39Å; F53-Y141 WeakPolarHBondContact CD1-OH 3.36Å
54	K	91.4	Very high	95.4	Very high	156 Å²	156	43 Å²	43	68%	0.678	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	-124.4	-172.6	-63.1	177.4	173.4	-174.1	0	110.1	V56	K54-V56 VanDerWaalsContact C-N 3.3Å; K54-V56 PolarHBondContact O-N 2.87Å
55	D	89.5	Confident	95.3	Very high	164 Å²	164	48.5 Å²	48.5	88%	0.877	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-1	-177.4	-45.3	-57.8	0	0	0	113.4	F53	F53-D55 PolarHBondContact O-N 2.98Å
56	V	91	Very high	95.1	Very high	57 Å²	57	52.2 Å²	52.2	35%	0.345	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.9	177.2	-178.3	0	0	0	0	109.2	C51 K52 F53 K54 R58	C51-V56 HydrophobicContact CB-CG1 4.15Å; K52-V56 CarbonylContact C-O 3.49Å; K52-V56 WeakPolarHBondContact CA-O 3.17Å; F53-V56 PolarHBondContact N-O 3.27Å; F53-V56 PolarHBondContact O-N 3.49Å; K54-V56 VanDerWaalsContact C-N 3.3Å; K54-V56 PolarHBondContact O-N 2.87Å; V56-R58 HydrophobicContact CG1-CG 4.04Å
57	R	92.8	Very high	95.1	Very high	69 Å²	69	52.2 Å²	52.2	26%	0.26	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	105.3	172	-60.8	-142.2	-176.6	-67.3	1.1	110.2	E23	E23-R57 WeakPolarHBondContact CB-O 3.5Å; E23-R57 PolarHBondContact N-O 2.89Å
58	R	94.9	Very high	95	Very high	20 Å²	20	54.4 Å²	54.4	8%	0.075	26%	0.256	C	S	.	.			trans	-116.1	154.8	178.4	-57.1	-171.2	65.3	79	5.5	111.2	E23 T25 G50 C51 K52 V56 D63	E23-R58 IonicContact OE1-NH1 3.72Å; E23-R58 IonicContact OE2-CZ 3.89Å; E23-R58 IonicContact OE2-NH1 2.73Å; E23-R58 PolarHBondContact OE2-NH1 3.44Å; T25-R58 PolarHBondContact O-NH1 3.08Å; T25-R58 PolarHBondContact O-NH2 3.26Å; T25-R58 PolarHBondContact OG1-NH1 3.02Å; G50-R58 CarbonylContact C-O 3.58Å; C51-R58 PolarHBondContact O-N 2.7Å; K52-R58 WeakPolarHBondContact CE-O 3.33Å; V56-R58 HydrophobicContact CG1-CG 4.04Å; R58-D63 WeakPolarHBondContact CB-OD2 3.42Å; R58-D63 IonicContact CZ-OD1 2.7Å; R58-D63 IonicContact CZ-OD2 3.19Å; R58-D63 IonicContact NE-OD1 2.62Å; R58-D63 PolarHBondContact NE-OD1 3.36Å; R58-D63 IonicContact NE-OD2 3.47Å; R58-D63 PolarHBondContact NE-OD2 3.37Å; R58-D63 IonicContact NH2-OD1 2.78Å; R58-D63 PolarHBondContact NH2-OD1 2.88Å; R58-D63 IonicContact NH2-OD2 2.83Å
59	N	95.1	Very high	94.9	Very high	36 Å²	36	58.9 Å²	58.9	19%	0.193	29%	0.287	C	S	.	.			trans	-93.8	119.2	176.7	-174.4	-71.3	0	0	0	110.3	Q61 K62 D63	N59-Q61 PolarHBondContact O-N 3.35Å; N59-Q61 WeakPolarHBondContact OD1-CB 3.26Å; N59-Q61 PolarHBondContact OD1-N 3.15Å; N59-Q61 VanDerWaalsContact OD1-N 3.08Å; N59-Q61 PolarHBondContact OD1-OE1 3.32Å; N59-K62 HydrophobicContact CB-CB 4.1Å; N59-K62 HydrophobicContact CB-CD 4.13Å; N59-K62 HydrophobicContact CB-CG 4.14Å; N59-K62 PolarHBondContact O-N 3.45Å; N59-K62 PolarHBondContact OD1-N 2.95Å; N59-D63 WeakPolarHBondContact O-CB 3.35Å; N59-D63 PolarHBondContact O-N 3.36Å
60	V	95.4	Very high	94.8	Very high	14 Å²	14	61 Å²	61	9%	0.085	30%	0.301	C	S	.	.	H	α-helix	trans	-66.8	-35.1	-174.4	68.9	0	0	0	0	112.9	T64 V89 L92 L95	V60-T64 VanDerWaalsContact O-CB 3.27Å; V60-T64 WeakPolarHBondContact O-CB 3.27Å; V60-T64 PolarHBondContact O-N 2.92Å; V60-T64 PolarHBondContact O-OG1 3.48Å; V60-V89 HydrophobicContact CB-CG1 4.1Å; V60-V89 HydrophobicContact CG2-CB 4.5Å; V60-V89 HydrophobicContact CG2-CG1 3.98Å; V60-L92 HydrophobicContact CG2-CD1 3.49Å; V60-L92 VanDerWaalsContact CG2-CD1 3.49Å; V60-L95 HydrophobicContact CB-CD1 4.27Å; V60-L95 HydrophobicContact CG1-CD1 3.67Å; V60-L95 HydrophobicContact CG2-CD1 3.6Å
61	Q	94.4	Very high	94.9	Very high	89 Å²	89	62.5 Å²	62.5	42%	0.416	32%	0.317	S	S	.	.	H	α-helix	trans	-67.1	-52	177.5	-69	76.9	12.7	0	0	110.4	N59 D63 T64 E65	N59-Q61 PolarHBondContact O-N 3.35Å; N59-Q61 WeakPolarHBondContact OD1-CB 3.26Å; N59-Q61 PolarHBondContact OD1-N 3.15Å; N59-Q61 VanDerWaalsContact OD1-N 3.08Å; N59-Q61 PolarHBondContact OD1-OE1 3.32Å; Q61-D63 PolarHBondContact O-N 3.05Å; Q61-T64 PolarHBondContact O-N 3.41Å; Q61-T64 VanDerWaalsContact O-N 3.14Å; Q61-E65 WeakPolarHBondContact O-CG 3.39Å; Q61-E65 PolarHBondContact O-N 2.97Å
62	K	95	Very high	94.9	Very high	123 Å²	123	62.3 Å²	62.3	54%	0.535	32%	0.316	S	S	.	.	H	α-helix	trans	-59.1	-46.1	178.6	-68.1	-175.2	177.2	-179.4	0	112.2	N59 T64 E65 E66	N59-K62 HydrophobicContact CB-CB 4.1Å; N59-K62 HydrophobicContact CB-CD 4.13Å; N59-K62 HydrophobicContact CB-CG 4.14Å; N59-K62 PolarHBondContact O-N 3.45Å; N59-K62 PolarHBondContact OD1-N 2.95Å; K62-T64 VanDerWaalsContact C-N 3.3Å; K62-T64 PolarHBondContact O-N 3.14Å; K62-E65 PolarHBondContact O-N 3.42Å; K62-E66 WeakPolarHBondContact O-CB 3.24Å; K62-E66 PolarHBondContact O-N 3.47Å
63	D	96.9	Very high	95.1	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.043	32%	0.318	C	S	.	.	H	α-helix	trans	-62.1	-40.8	177.9	-78.9	-12.5	0	0	0	111.1	I27 P49 G50 R58 N59 Q61 E66 L67	I27-D63 HydrophobicContact CD1-CB 4.49Å; P49-D63 HydrophobicContact CB-CB 3.94Å; G50-D63 PolarHBondContact N-OD2 3.43Å; R58-D63 WeakPolarHBondContact CB-OD2 3.42Å; R58-D63 IonicContact CZ-OD1 2.7Å; R58-D63 IonicContact CZ-OD2 3.19Å; R58-D63 IonicContact NE-OD1 2.62Å; R58-D63 PolarHBondContact NE-OD1 3.36Å; R58-D63 IonicContact NE-OD2 3.47Å; R58-D63 PolarHBondContact NE-OD2 3.37Å; R58-D63 IonicContact NH2-OD1 2.78Å; R58-D63 PolarHBondContact NH2-OD1 2.88Å; R58-D63 IonicContact NH2-OD2 2.83Å; N59-D63 WeakPolarHBondContact O-CB 3.35Å; N59-D63 PolarHBondContact O-N 3.36Å; Q61-D63 PolarHBondContact O-N 3.05Å; D63-E66 PolarHBondContact O-N 3.31Å; D63-L67 VanDerWaalsContact O-CG 3.25Å; D63-L67 WeakPolarHBondContact O-CG 3.48Å; D63-L67 PolarHBondContact O-N 2.94Å
64	T	96.2	Very high	95.4	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-67.7	-40.5	179.3	-58.2	0	0	0	0	112.1	V60 Q61 K62 E66 L67 K68 Y96 C99	V60-T64 VanDerWaalsContact O-CB 3.27Å; V60-T64 WeakPolarHBondContact O-CB 3.27Å; V60-T64 PolarHBondContact O-N 2.92Å; V60-T64 PolarHBondContact O-OG1 3.48Å; Q61-T64 PolarHBondContact O-N 3.41Å; Q61-T64 VanDerWaalsContact O-N 3.14Å; K62-T64 VanDerWaalsContact C-N 3.3Å; K62-T64 PolarHBondContact O-N 3.14Å; T64-E66 VanDerWaalsContact C-N 3.34Å; T64-L67 PolarHBondContact O-N 2.92Å; T64-K68 PolarHBondContact O-N 3.16Å; T64-Y96 HydrophobicContact CG2-CD1 3.75Å; T64-Y96 HydrophobicContact CG2-CE1 4.14Å; T64-C99 HydrophobicContact CG2-CB 4Å; T64-C99 VanDerWaalsContact CG2-SG 3.58Å
65	E	95	Very high	95.7	Very high	116 Å²	116	52.8 Å²	52.8	54%	0.542	28%	0.276	S	S	.	.	H	α-helix	trans	-63.2	-39.8	174.2	-73.2	169.6	-173.4	0	0	111.8	Q61 K62 K68 S69	Q61-E65 WeakPolarHBondContact O-CG 3.39Å; Q61-E65 PolarHBondContact O-N 2.97Å; K62-E65 PolarHBondContact O-N 3.42Å; E65-K68 PolarHBondContact O-N 2.88Å; E65-S69 WeakPolarHBondContact O-CB 3.4Å; E65-S69 PolarHBondContact O-N 3.15Å; E65-S69 PolarHBondContact O-OG 3.42Å
66	E	95.9	Very high	96.2	Very high	78 Å²	78	45 Å²	45	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-64.3	-45.8	174.8	-174.7	62.6	-135.5	0	0	111.1	I27 K62 D63 T64 K68 S69 C70	I27-E66 HydrophobicContact CG2-CB 4.32Å; I27-E66 HydrophobicContact CG2-CG 4.03Å; K62-E66 WeakPolarHBondContact O-CB 3.24Å; K62-E66 PolarHBondContact O-N 3.47Å; D63-E66 PolarHBondContact O-N 3.31Å; T64-E66 VanDerWaalsContact C-N 3.34Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.47Å; E66-S69 PolarHBondContact O-N 3.44Å; E66-S69 VanDerWaalsContact O-N 3.17Å; E66-C70 WeakPolarHBondContact O-CB 3.37Å; E66-C70 PolarHBondContact O-N 2.82Å; E66-C70 PolarHBondContact O-SG 2.8Å; E66-C70 VanDerWaalsContact O-SG 3.4Å
67	L	97.4	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-41	174.7	-68.8	179.8	0	0	0	111.4	I27 I29 P49 D63 T64 C70 G71 I72 I75 Y96 L137	I27-L67 HydrophobicContact CG2-CD2 3.85Å; I27-L67 HydrophobicContact CG2-CG 4.24Å; I29-L67 HydrophobicContact CD1-CD2 3.67Å; I29-L67 HydrophobicContact CG1-CD2 4.24Å; P49-L67 HydrophobicContact CB-CD1 4.29Å; P49-L67 HydrophobicContact CG-CD1 3.89Å; D63-L67 VanDerWaalsContact O-CG 3.25Å; D63-L67 WeakPolarHBondContact O-CG 3.48Å; D63-L67 PolarHBondContact O-N 2.94Å; T64-L67 PolarHBondContact O-N 2.92Å; L67-C70 WeakPolarHBondContact O-CB 3.46Å; L67-C70 PolarHBondContact O-N 3.17Å; L67-G71 PolarHBondContact O-N 2.9Å; L67-I72 HydrophobicContact CB-CG1 4.31Å; L67-I72 HydrophobicContact CD2-CG1 4.38Å; L67-I72 WeakPolarHBondContact O-CB 3.41Å; L67-I72 VanDerWaalsContact O-CG1 3.22Å; L67-I72 WeakPolarHBondContact O-CG1 3.38Å; L67-I72 PolarHBondContact O-N 3.27Å; L67-I72 VanDerWaalsContact O-N 3.16Å; L67-I75 HydrophobicContact CD1-CD1 3.95Å; L67-Y96 HydrophobicContact CD1-CE1 4.02Å; L67-L137 HydrophobicContact CD1-CD2 4.04Å; L67-L137 HydrophobicContact CD2-CD2 3.58Å; L67-L137 HydrophobicContact CG-CD2 4.4Å
68	K	96.3	Very high	96.8	Very high	88 Å²	88	39 Å²	39	38%	0.383	21%	0.205	S	C	.	.	H	α-helix	trans	-65.2	-43.4	175.8	-175.9	58.7	174	-161	0	111.9	T64 E65 E66 C70 G71 C99 G100 I101	T64-K68 PolarHBondContact O-N 3.16Å; E65-K68 PolarHBondContact O-N 2.88Å; E66-K68 VanDerWaalsContact C-N 3.27Å; E66-K68 PolarHBondContact O-N 3.47Å; K68-C70 VanDerWaalsContact C-N 3.29Å; K68-C70 PolarHBondContact O-N 2.85Å; K68-G71 WeakPolarHBondContact O-CA 3.45Å; K68-G71 PolarHBondContact O-N 3.32Å; K68-C99 VanDerWaalsContact CD-O 3.27Å; K68-C99 WeakPolarHBondContact CD-O 3.45Å; K68-C99 WeakPolarHBondContact CE-O 3.32Å; K68-C99 PolarHBondContact NZ-O 2.87Å; K68-G100 PolarHBondContact NZ-O 2.86Å; K68-G100 VanDerWaalsContact NZ-O 3.12Å; K68-I101 HydrophobicContact CB-CD1 4.5Å; K68-I101 HydrophobicContact CD-CG1 4.27Å
69	S	96.1	Very high	97	Very high	98 Å²	98	38 Å²	38	69%	0.685	20%	0.201	S	C	*	.	H	α-helix	trans	-65.4	-32.9	178.1	-59.1	0	0	0	0	112.2	E65 E66 G71	E65-S69 WeakPolarHBondContact O-CB 3.4Å; E65-S69 PolarHBondContact O-N 3.15Å; E65-S69 PolarHBondContact O-OG 3.42Å; E66-S69 PolarHBondContact O-N 3.44Å; E66-S69 VanDerWaalsContact O-N 3.17Å; S69-G71 PolarHBondContact O-N 3.22Å; S69-G71 VanDerWaalsContact O-N 3.15Å
70	C	95.8	Very high	97.2	Very high	43 Å²	43	38.4 Å²	38.4	29%	0.291	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-6.4	168.2	-77.5	0	0	0	0	113.3	E66 L67 K68 I72 K135	E66-C70 WeakPolarHBondContact O-CB 3.37Å; E66-C70 PolarHBondContact O-N 2.82Å; E66-C70 PolarHBondContact O-SG 2.8Å; E66-C70 VanDerWaalsContact O-SG 3.4Å; L67-C70 WeakPolarHBondContact O-CB 3.46Å; L67-C70 PolarHBondContact O-N 3.17Å; K68-C70 VanDerWaalsContact C-N 3.29Å; K68-C70 PolarHBondContact O-N 2.85Å; C70-I72 HydrophobicContact CB-CG1 4.34Å; C70-K135 WeakPolarHBondContact O-CD 3.37Å; C70-K135 VanDerWaalsContact O-CE 3.32Å; C70-K135 WeakPolarHBondContact O-CE 3.21Å; C70-K135 PolarHBondContact O-NZ 2.96Å
71	G	97.5	Very high	97.3	Very high	34 Å²	34	44.2 Å²	44.2	35%	0.351	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	21.9	179.1	0	0	0	0	0	113.9	L67 K68 S69 Q73 K135	L67-G71 PolarHBondContact O-N 2.9Å; K68-G71 WeakPolarHBondContact O-CA 3.45Å; K68-G71 PolarHBondContact O-N 3.32Å; S69-G71 PolarHBondContact O-N 3.22Å; S69-G71 VanDerWaalsContact O-N 3.15Å; G71-Q73 PolarHBondContact O-N 3.35Å; G71-K135 WeakPolarHBondContact O-CB 3.37Å; G71-K135 WeakPolarHBondContact O-CD 3.33Å
72	I	98.5	Very high	97.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.23	C	C	.	.			trans	-62.2	134.2	173.8	-58.4	-55.1	0	0	0	109.3	I29 W31 L67 C70 I75 I101 K135 L137	I29-I72 HydrophobicContact CD1-CD1 4.29Å; I29-I72 HydrophobicContact CD1-CG1 4.49Å; W31-I72 HydrophobicContact CH2-CD1 3.64Å; W31-I72 HydrophobicContact CZ2-CD1 4.22Å; L67-I72 HydrophobicContact CB-CG1 4.31Å; L67-I72 HydrophobicContact CD2-CG1 4.38Å; L67-I72 WeakPolarHBondContact O-CB 3.41Å; L67-I72 VanDerWaalsContact O-CG1 3.22Å; L67-I72 WeakPolarHBondContact O-CG1 3.38Å; L67-I72 PolarHBondContact O-N 3.27Å; L67-I72 VanDerWaalsContact O-N 3.16Å; C70-I72 HydrophobicContact CB-CG1 4.34Å; I72-I75 HydrophobicContact CG2-CD1 3.96Å; I72-I75 HydrophobicContact CG2-CG1 3.53Å; I72-I101 HydrophobicContact CG2-CG2 4.49Å; I72-K135 HydrophobicContact CD1-CD 4.28Å; I72-K135 HydrophobicContact CD1-CG 4.05Å; I72-L137 HydrophobicContact CD1-CB 4.13Å; I72-L137 HydrophobicContact CG1-CD2 4.34Å; I72-L137 HydrophobicContact CG2-CB 3.95Å; I72-L137 HydrophobicContact CG2-CD2 4.43Å
73	Q	98.6	Very high	97.7	Very high	63 Å²	63	37.2 Å²	37.2	29%	0.294	21%	0.208	S	C	.	.			trans	-114.6	-37.4	-175.7	-73.8	177.4	93.5	0	0	112.2	G71 I102 K135	G71-Q73 PolarHBondContact O-N 3.35Å; Q73-I102 PolarHBondContact O-N 2.98Å; Q73-K135 PolarHBondContact N-O 3Å; Q73-K135 VanDerWaalsContact NE2-N 3.19Å
74	D	98.8	Very high	97.7	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.032	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.3	-176	-73.1	-97.6	0	0	0	109.1	I102 H104 R134 K135 T136 L137	D74-I102 CarbonylContact C-O 3.58Å; D74-I102 WeakPolarHBondContact CA-O 3.4Å; D74-I102 WeakPolarHBondContact OD1-CB 3.48Å; D74-H104 IonicContact OD1-CD2 3.89Å; D74-H104 IonicContact OD1-CE1 3.92Å; D74-H104 IonicContact OD1-NE2 2.95Å; D74-H104 PolarHBondContact OD1-NE2 3.28Å; D74-R134 WeakPolarHBondContact OD2-CB 3.28Å; D74-R134 IonicContact OD2-CZ 3.39Å; D74-R134 IonicContact OD2-NE 3.99Å; D74-R134 PolarHBondContact OD2-NE 3.31Å; D74-R134 IonicContact OD2-NH2 2.94Å; D74-R134 PolarHBondContact OD2-NH2 3.44Å; D74-K135 PolarHBondContact N-O 3.08Å; D74-T136 HydrophobicContact CB-CG2 4.28Å; D74-T136 WeakPolarHBondContact O-CA 3.4Å; D74-L137 PolarHBondContact O-N 3.42Å
75	I	98.9	Very high	97.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.3	176.5	-66.6	179.8	0	0	0	110.6	L67 I72 V77 Y96 I101 I102 T103 H104 L137	L67-I75 HydrophobicContact CD1-CD1 3.95Å; I72-I75 HydrophobicContact CG2-CD1 3.96Å; I72-I75 HydrophobicContact CG2-CG1 3.53Å; I75-V77 HydrophobicContact CG2-CG2 3.78Å; I75-Y96 HydrophobicContact CB-CD2 4.37Å; I75-Y96 HydrophobicContact CB-CE2 4.41Å; I75-Y96 HydrophobicContact CD1-CD1 3.94Å; I75-Y96 HydrophobicContact CD1-CD2 4.09Å; I75-Y96 HydrophobicContact CD1-CE1 3.79Å; I75-Y96 HydrophobicContact CD1-CE2 3.94Å; I75-Y96 HydrophobicContact CD1-CG 4.1Å; I75-Y96 HydrophobicContact CG2-CD2 4.17Å; I75-Y96 HydrophobicContact CG2-CE2 3.76Å; I75-I101 HydrophobicContact CB-CG2 4.09Å; I75-I101 HydrophobicContact CD1-CD1 4.16Å; I75-I101 HydrophobicContact CD1-CG2 3.75Å; I75-I101 HydrophobicContact CG1-CG2 3.61Å; I75-I102 PolarHBondContact N-O 2.7Å; I75-T103 WeakPolarHBondContact O-CA 3.47Å; I75-H104 PolarHBondContact O-N 3.23Å; I75-L137 CarbonylContact C-O 3.57Å; I75-L137 VanDerWaalsContact CA-O 3.27Å; I75-L137 WeakPolarHBondContact CA-O 3.2Å; I75-L137 HydrophobicContact CD1-CD2 4.2Å; I75-L137 HydrophobicContact CG1-CB 4.21Å; I75-L137 HydrophobicContact CG1-CD2 4.26Å
76	F	98.9	Very high	97.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.1	169.6	-68.6	-109.5	0	0	0	110.2	F78 H104 I122 E125 L126 T136 L137 I138 H139	F76-F78 HydrophobicContact CB-CE1 3.89Å; F76-F78 HydrophobicContact CB-CZ 3.81Å; F76-H104 WeakPolarHBondContact CA-O 3.35Å; F76-H104 HydrophobicContact CD1-CB 3.57Å; F76-H104 HydrophobicContact CD2-CB 4.29Å; F76-H104 AromaticContact CD2-CD2 3.94Å; F76-H104 HydrophobicContact CE1-CB 3.59Å; F76-H104 AromaticContact CE1-CG 3.78Å; F76-H104 HydrophobicContact CE2-CB 4.3Å; F76-H104 AromaticContact CE2-CD2 3.47Å; F76-H104 VanDerWaalsContact CE2-CD2 3.47Å; F76-H104 WeakPolarHBondContact CE2-CD2 3.37Å; F76-H104 AromaticContact CE2-CG 3.94Å; F76-H104 HydrophobicContact CG-CB 3.93Å; F76-H104 HydrophobicContact CZ-CB 3.96Å; F76-H104 AromaticContact CZ-CD2 3.6Å; F76-H104 AromaticContact CZ-CG 3.63Å; F76-I122 HydrophobicContact CD1-CG2 4.26Å; F76-I122 HydrophobicContact CE1-CG2 4.5Å; F76-E125 HydrophobicContact CE1-CB 3.77Å; F76-E125 WeakPolarHBondContact CE1-OE2 3.48Å; F76-E125 HydrophobicContact CZ-CB 3.77Å; F76-L126 HydrophobicContact CD1-CD2 4.28Å; F76-L126 HydrophobicContact CD1-CG 4.28Å; F76-L126 HydrophobicContact CD2-CD2 3.61Å; F76-L126 HydrophobicContact CD2-CG 4.43Å; F76-L126 HydrophobicContact CE1-CD2 4.15Å; F76-L126 HydrophobicContact CE1-CG 3.94Å; F76-L126 HydrophobicContact CE2-CD2 3.47Å; F76-L126 VanDerWaalsContact CE2-CD2 3.47Å; F76-L126 HydrophobicContact CE2-CG 4.12Å; F76-L126 HydrophobicContact CG-CD2 4.04Å; F76-L126 HydrophobicContact CZ-CD2 3.76Å; F76-L126 HydrophobicContact CZ-CG 3.87Å; F76-T136 HydrophobicContact CD2-CG2 3.84Å; F76-T136 HydrophobicContact CE2-CG2 3.74Å; F76-L137 PolarHBondContact N-O 3.04Å; F76-I138 HydrophobicContact CB-CB 4.18Å; F76-I138 HydrophobicContact CB-CG2 3.83Å; F76-I138 HydrophobicContact CD2-CG2 4.22Å; F76-I138 HydrophobicContact CG-CG2 4.22Å; F76-I138 WeakPolarHBondContact O-CA 3.42Å; F76-H139 PolarHBondContact O-N 3.25Å
77	V	98.9	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.6	-176.9	-173.8	0	0	0	0	110	I75 C79 L93 Y96 T103 H104 H105 H106 H139	I75-V77 HydrophobicContact CG2-CG2 3.78Å; V77-C79 HydrophobicContact CG1-CB 4.17Å; V77-L93 HydrophobicContact CB-CD2 3.9Å; V77-L93 HydrophobicContact CG1-CD2 4.06Å; V77-L93 HydrophobicContact CG2-CD2 3.55Å; V77-Y96 HydrophobicContact CG2-CD2 4.45Å; V77-Y96 HydrophobicContact CG2-CE2 4.03Å; V77-T103 HydrophobicContact CG2-CG2 4.05Å; V77-H104 PolarHBondContact N-O 3.2Å; V77-H105 PolarHBondContact O-CD2 2.96Å; V77-H106 CarbonylContact O-C 3.55Å; V77-H106 PolarHBondContact O-N 3Å; V77-H139 WeakPolarHBondContact CG2-NE2 3.38Å
78	F	98.8	Very high	98	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.			trans	-100	-1.5	-179.9	-48.9	-49	0	0	0	114.3	F76 H106 I108 I122 I138 H139 C140 R146 V150	F76-F78 HydrophobicContact CB-CE1 3.89Å; F76-F78 HydrophobicContact CB-CZ 3.81Å; F78-H106 WeakPolarHBondContact CA-O 3.49Å; F78-H106 HydrophobicContact CD1-CB 4.24Å; F78-H106 HydrophobicContact CE1-CB 4.45Å; F78-I108 HydrophobicContact CB-CB 4.48Å; F78-I108 HydrophobicContact CB-CD1 4.1Å; F78-I108 HydrophobicContact CB-CG1 4.34Å; F78-I108 HydrophobicContact CD1-CD1 3.95Å; F78-I108 HydrophobicContact CG-CD1 4.04Å; F78-I108 PolarHBondContact O-N 3.12Å; F78-I122 HydrophobicContact CE1-CD1 4.43Å; F78-I122 HydrophobicContact CE1-CG2 4.37Å; F78-I138 HydrophobicContact CE2-CB 3.75Å; F78-I138 HydrophobicContact CE2-CD1 4.02Å; F78-I138 HydrophobicContact CE2-CG1 4.15Å; F78-I138 HydrophobicContact CZ-CB 3.91Å; F78-I138 HydrophobicContact CZ-CD1 4.39Å; F78-I138 HydrophobicContact CZ-CG2 4.31Å; F78-H139 VanDerWaalsContact CD2-O 3.3Å; F78-H139 WeakPolarHBondContact CD2-O 3.45Å; F78-H139 PolarHBondContact N-O 3.24Å; F78-C140 HydrophobicContact CB-CB 4.09Å; F78-C140 HydrophobicContact CD2-CB 4.41Å; F78-R146 HydrophobicContact CB-CB 4.31Å; F78-R146 PolarHBondContact O-NH1 3.02Å; F78-V150 HydrophobicContact CD1-CG2 4.49Å; F78-V150 HydrophobicContact CD2-CG2 4.4Å; F78-V150 HydrophobicContact CE1-CG1 4.29Å; F78-V150 HydrophobicContact CE1-CG2 4.08Å; F78-V150 HydrophobicContact CE2-CB 3.99Å; F78-V150 HydrophobicContact CE2-CG1 4.23Å; F78-V150 HydrophobicContact CE2-CG2 3.98Å; F78-V150 HydrophobicContact CZ-CB 3.88Å; F78-V150 HydrophobicContact CZ-CG1 3.65Å; F78-V150 HydrophobicContact CZ-CG2 3.83Å
79	C	98.7	Very high	98.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.			trans	-71.1	139.3	173.7	-69.2	0	0	0	0	110.9	V77 E83 L84 H105 Y141	V77-C79 HydrophobicContact CG1-CB 4.17Å; C79-E83 HydrophobicContact CB-CB 4.15Å; C79-L84 HydrophobicContact CB-CD2 3.71Å; C79-L84 HydrophobicContact CB-CG 4.18Å; C79-H105 PolarHBondContact O-NE2 3.44Å; C79-Y141 PolarHBondContact SG-N 3.3Å; C79-Y141 VanDerWaalsContact SG-N 3.41Å
80	T	98.6	Very high	98.2	Very high	43 Å²	43	39.8 Å²	39.8	26%	0.264	22%	0.215	S	C	.	.			trans	-69.1	160.1	168.4	62.7	0	0	0	0	111.2	G82 E83 L84 P107	T80-G82 PolarHBondContact O-N 3.4Å; T80-E83 WeakPolarHBondContact CB-OE2 3.32Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.13Å; T80-E83 PolarHBondContact N-OE2 2.83Å; T80-E83 WeakPolarHBondContact O-CB 3.3Å; T80-E83 PolarHBondContact O-N 2.87Å; T80-E83 VanDerWaalsContact O-N 3.08Å; T80-E83 VanDerWaalsContact OG1-CG 3.3Å; T80-E83 WeakPolarHBondContact OG1-CG 3.46Å; T80-E83 PolarHBondContact OG1-N 3.34Å; T80-E83 VanDerWaalsContact OG1-N 3.15Å; T80-E83 PolarHBondContact OG1-OE2 2.86Å; T80-L84 WeakPolarHBondContact O-CG 3.34Å; T80-L84 PolarHBondContact O-N 3.27Å; T80-P107 HydrophobicContact CG2-CB 4.13Å
81	R	98.3	Very high	98.2	Very high	136 Å²	136	40.7 Å²	40.7	51%	0.513	22%	0.218	S	C	.	.	H	α-helix	trans	-57.7	-38.3	172.9	-66.4	-66.2	175.7	150.3	1	112.1	E83 L84 S85 H105	R81-E83 VanDerWaalsContact C-N 3.32Å; R81-E83 PolarHBondContact O-N 3.22Å; R81-L84 PolarHBondContact O-N 3.34Å; R81-S85 PolarHBondContact O-N 2.93Å; R81-S85 PolarHBondContact O-OG 2.73Å; R81-H105 PolarHBondContact NE-CE1 2.79Å; R81-H105 PolarHBondContact NE-ND1 3.01Å
82	G	98.4	Very high	98.3	Very high	51 Å²	51	39.1 Å²	39.1	53%	0.526	20%	0.201	S	C	.	.	H	α-helix	trans	-60.7	-39.7	174.8	0	0	0	0	0	112.9	T80 K86	T80-G82 PolarHBondContact O-N 3.4Å; G82-K86 VanDerWaalsContact O-CB 3.23Å; G82-K86 WeakPolarHBondContact O-CB 3.5Å; G82-K86 PolarHBondContact O-N 3.35Å
83	E	98.4	Very high	98.3	Very high	14 Å²	14	39.3 Å²	39.3	7%	0.065	20%	0.202	C	C	.	.	H	α-helix	trans	-66.9	-44.2	173.4	-75.3	169.3	102.9	0	0	112.4	C79 T80 R81 S85 K86 Y87 R146	C79-E83 HydrophobicContact CB-CB 4.15Å; T80-E83 WeakPolarHBondContact CB-OE2 3.32Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.13Å; T80-E83 PolarHBondContact N-OE2 2.83Å; T80-E83 WeakPolarHBondContact O-CB 3.3Å; T80-E83 PolarHBondContact O-N 2.87Å; T80-E83 VanDerWaalsContact O-N 3.08Å; T80-E83 VanDerWaalsContact OG1-CG 3.3Å; T80-E83 WeakPolarHBondContact OG1-CG 3.46Å; T80-E83 PolarHBondContact OG1-N 3.34Å; T80-E83 VanDerWaalsContact OG1-N 3.15Å; T80-E83 PolarHBondContact OG1-OE2 2.86Å; R81-E83 VanDerWaalsContact C-N 3.32Å; R81-E83 PolarHBondContact O-N 3.22Å; E83-S85 VanDerWaalsContact C-N 3.28Å; E83-S85 PolarHBondContact O-N 2.94Å; E83-K86 WeakPolarHBondContact O-CB 3.47Å; E83-K86 PolarHBondContact O-N 3.39Å; E83-K86 VanDerWaalsContact O-N 3.12Å; E83-Y87 HydrophobicContact CB-CD2 4Å; E83-Y87 HydrophobicContact CB-CE2 3.76Å; E83-Y87 HydrophobicContact CG-CE2 3.98Å; E83-Y87 WeakPolarHBondContact O-CB 3.45Å; E83-Y87 WeakPolarHBondContact O-CD2 3.36Å; E83-Y87 PolarHBondContact O-N 3.25Å; E83-R146 VanDerWaalsContact CD-NH1 3.27Å; E83-R146 IonicContact OE1-CZ 3.87Å; E83-R146 IonicContact OE1-NH1 2.85Å; E83-R146 PolarHBondContact OE1-NH1 3.46Å; E83-R146 IonicContact OE1-NH2 3.73Å; E83-R146 PolarHBondContact OE1-NH2 3.33Å; E83-R146 IonicContact OE2-CZ 3.11Å; E83-R146 IonicContact OE2-NH1 3.66Å; E83-R146 PolarHBondContact OE2-NH1 3.07Å
84	L	98.5	Very high	98.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-42.6	177.2	-63.9	-176.1	0	0	0	111.5	L48 C79 T80 R81 R88 V89 L92 L93	L48-L84 HydrophobicContact CD1-CD2 4.18Å; C79-L84 HydrophobicContact CB-CD2 3.71Å; C79-L84 HydrophobicContact CB-CG 4.18Å; T80-L84 WeakPolarHBondContact O-CG 3.34Å; T80-L84 PolarHBondContact O-N 3.27Å; R81-L84 PolarHBondContact O-N 3.34Å; L84-R88 PolarHBondContact O-N 2.93Å; L84-V89 HydrophobicContact CD2-CG2 4.14Å; L84-V89 CarbonylContact O-C 3.56Å; L84-V89 PolarHBondContact O-N 3.31Å; L84-L92 HydrophobicContact CD2-CD2 3.96Å; L84-L93 HydrophobicContact CD1-CD1 4.13Å; L84-L93 HydrophobicContact CD1-CD2 4.48Å; L84-L93 HydrophobicContact CD1-CG 4.07Å
85	S	98	Very high	98.1	Very high	76 Å²	76	40.5 Å²	40.5	53%	0.531	21%	0.21	S	C	.	.	H	α-helix	trans	-65.3	-46.7	172.6	-60.5	0	0	0	0	112.3	R81 E83 Y87 R88	R81-S85 PolarHBondContact O-N 2.93Å; R81-S85 PolarHBondContact O-OG 2.73Å; E83-S85 VanDerWaalsContact C-N 3.28Å; E83-S85 PolarHBondContact O-N 2.94Å; S85-Y87 PolarHBondContact O-N 2.94Å; S85-R88 PolarHBondContact O-N 3.26Å
86	K	97.5	Very high	98.1	Very high	118 Å²	118	40.5 Å²	40.5	51%	0.513	21%	0.21	S	C	.	.	H	α-helix	trans	-57.2	-37.7	179.6	179.4	-177.8	178.5	-178	0	112.4	G82 E83 R88	G82-K86 VanDerWaalsContact O-CB 3.23Å; G82-K86 WeakPolarHBondContact O-CB 3.5Å; G82-K86 PolarHBondContact O-N 3.35Å; E83-K86 WeakPolarHBondContact O-CB 3.47Å; E83-K86 PolarHBondContact O-N 3.39Å; E83-K86 VanDerWaalsContact O-N 3.12Å; K86-R88 VanDerWaalsContact C-N 3.31Å
87	Y	97.8	Very high	98	Very high	8 Å²	8	46 Å²	46	3%	0.031	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	14.1	-178.7	-55.9	-49.6	0	0	0	113.6	L48 K52 F53 E83 S85 V89 Y141	L48-Y87 HydrophobicContact CD2-CD2 3.54Å; L48-Y87 HydrophobicContact CD2-CG 3.79Å; K52-Y87 PolarHBondContact N-O 2.94Å; K52-Y87 VanDerWaalsContact N-O 3.13Å; F53-Y87 HydrophobicContact CB-CD1 3.7Å; F53-Y87 HydrophobicContact CB-CE1 4.13Å; F53-Y87 HydrophobicContact CD1-CD1 4.32Å; F53-Y87 AromaticContact CD1-CE1 3.87Å; F53-Y87 HydrophobicContact CD1-CE1 3.87Å; F53-Y87 AromaticContact CD2-CD1 3.79Å; F53-Y87 HydrophobicContact CD2-CD1 3.79Å; F53-Y87 AromaticContact CD2-CE1 3.84Å; F53-Y87 HydrophobicContact CD2-CE1 3.84Å; F53-Y87 HydrophobicContact CE1-CE1 4.22Å; F53-Y87 HydrophobicContact CE2-CE1 4.21Å; F53-Y87 AromaticContact CG-CD1 3.68Å; F53-Y87 HydrophobicContact CG-CD1 3.68Å; F53-Y87 AromaticContact CG-CE1 3.67Å; F53-Y87 HydrophobicContact CG-CE1 3.67Å; F53-Y87 HydrophobicContact CZ-CE1 4.39Å; E83-Y87 HydrophobicContact CB-CD2 4Å; E83-Y87 HydrophobicContact CB-CE2 3.76Å; E83-Y87 HydrophobicContact CG-CE2 3.98Å; E83-Y87 WeakPolarHBondContact O-CB 3.45Å; E83-Y87 WeakPolarHBondContact O-CD2 3.36Å; E83-Y87 PolarHBondContact O-N 3.25Å; S85-Y87 PolarHBondContact O-N 2.94Å; Y87-V89 VanDerWaalsContact C-N 3.31Å; Y87-V89 PolarHBondContact O-N 3.43Å; Y87-Y141 HydrophobicContact CD1-CD2 4.1Å; Y87-Y141 AromaticContact CD1-CE2 3.73Å; Y87-Y141 HydrophobicContact CD1-CE2 3.73Å; Y87-Y141 AromaticContact CD2-CD2 3.65Å; Y87-Y141 HydrophobicContact CD2-CD2 3.65Å; Y87-Y141 HydrophobicContact CD2-CE2 4.15Å; Y87-Y141 AromaticContact CE1-CD2 3.77Å; Y87-Y141 HydrophobicContact CE1-CD2 3.77Å; Y87-Y141 AromaticContact CE1-CE2 3.42Å; Y87-Y141 HydrophobicContact CE1-CE2 3.42Å; Y87-Y141 VanDerWaalsContact CE1-CE2 3.42Å; Y87-Y141 AromaticContact CE2-CD2 3.32Å; Y87-Y141 HydrophobicContact CE2-CD2 3.32Å; Y87-Y141 AromaticContact CE2-CE2 3.91Å; Y87-Y141 HydrophobicContact CE2-CE2 3.91Å; Y87-Y141 AromaticContact CE2-CG 3.83Å; Y87-Y141 HydrophobicContact CE2-CG 3.83Å; Y87-Y141 HydrophobicContact CG-CD2 4.04Å; Y87-Y141 HydrophobicContact CG-CE2 4.07Å; Y87-Y141 AromaticContact CZ-CD2 3.36Å; Y87-Y141 AromaticContact CZ-CE2 3.52Å; Y87-Y141 AromaticContact CZ-CG 3.83Å
88	R	97.6	Very high	97.9	Very high	171 Å²	171	53.2 Å²	53.2	65%	0.645	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	33.2	174.7	-49.6	-173.5	173.9	-163.2	-1.3	114.6	K52 L84 S85 K86	K52-R88 HydrophobicContact CB-CB 4.17Å; K52-R88 HydrophobicContact CB-CG 4.34Å; L84-R88 PolarHBondContact O-N 2.93Å; S85-R88 PolarHBondContact O-N 3.26Å; K86-R88 VanDerWaalsContact C-N 3.31Å
89	V	97.8	Very high	97.7	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.			trans	-127.8	49.7	173.9	-66.6	0	0	0	0	112	L48 G50 V60 L84 Y87 N91 L92	L48-V89 HydrophobicContact CD1-CG2 4.21Å; L48-V89 HydrophobicContact CD2-CG2 4.01Å; L48-V89 HydrophobicContact CG-CG2 4.28Å; G50-V89 WeakPolarHBondContact O-CG1 3.27Å; V60-V89 HydrophobicContact CB-CG1 4.1Å; V60-V89 HydrophobicContact CG2-CB 4.5Å; V60-V89 HydrophobicContact CG2-CG1 3.98Å; L84-V89 HydrophobicContact CD2-CG2 4.14Å; L84-V89 CarbonylContact O-C 3.56Å; L84-V89 PolarHBondContact O-N 3.31Å; Y87-V89 VanDerWaalsContact C-N 3.31Å; Y87-V89 PolarHBondContact O-N 3.43Å; V89-N91 PolarHBondContact O-N 3.05Å; V89-L92 HydrophobicContact CB-CB 4.14Å; V89-L92 HydrophobicContact CG2-CB 4.42Å; V89-L92 HydrophobicContact CG2-CD2 4.3Å; V89-L92 VanDerWaalsContact O-CB 3.32Å; V89-L92 WeakPolarHBondContact O-CB 3.12Å; V89-L92 PolarHBondContact O-N 3.46Å; V89-L92 VanDerWaalsContact O-N 3.13Å
90	P	98	Very high	97.6	Very high	70 Å²	70	57.6 Å²	57.6	46%	0.455	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.8	-174.2	27.7	-36.1	0	0	0	113.6
91	N	96.9	Very high	97.6	Very high	63 Å²	63	55.7 Å²	55.7	34%	0.337	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	14.1	-179.8	63.9	-36.4	0	0	0	113.4	V89 L93 D94 L95	V89-N91 PolarHBondContact O-N 3.05Å; N91-L93 VanDerWaalsContact C-N 3.29Å; N91-L93 PolarHBondContact O-N 2.88Å; N91-D94 PolarHBondContact O-N 3.42Å; N91-D94 VanDerWaalsContact O-N 3.16Å; N91-L95 WeakPolarHBondContact O-CG 3.41Å; N91-L95 PolarHBondContact O-N 2.93Å
92	L	98.1	Very high	97.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-55	-43.8	-175.6	-174.8	63.1	0	0	0	113	L48 V60 L84 V89 D94 L95 Y96	L48-L92 HydrophobicContact CD1-CD2 3.64Å; V60-L92 HydrophobicContact CG2-CD1 3.49Å; V60-L92 VanDerWaalsContact CG2-CD1 3.49Å; L84-L92 HydrophobicContact CD2-CD2 3.96Å; V89-L92 HydrophobicContact CB-CB 4.14Å; V89-L92 HydrophobicContact CG2-CB 4.42Å; V89-L92 HydrophobicContact CG2-CD2 4.3Å; V89-L92 VanDerWaalsContact O-CB 3.32Å; V89-L92 WeakPolarHBondContact O-CB 3.12Å; V89-L92 PolarHBondContact O-N 3.46Å; V89-L92 VanDerWaalsContact O-N 3.13Å; L92-D94 VanDerWaalsContact C-N 3.34Å; L92-L95 PolarHBondContact O-N 3.43Å; L92-Y96 HydrophobicContact CD1-CE1 3.92Å; L92-Y96 HydrophobicContact CD1-CE2 4.16Å; L92-Y96 HydrophobicContact CD2-CE2 4.1Å; L92-Y96 HydrophobicContact CG-CD2 4.38Å; L92-Y96 HydrophobicContact CG-CE1 4.4Å; L92-Y96 HydrophobicContact CG-CE2 3.73Å; L92-Y96 PolarHBondContact O-N 3.21Å
93	L	98.1	Very high	97.6	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-37.7	-177.5	-53.3	177	0	0	0	111.3	V77 L84 N91 Y96 Q97 T103 H105	V77-L93 HydrophobicContact CB-CD2 3.9Å; V77-L93 HydrophobicContact CG1-CD2 4.06Å; V77-L93 HydrophobicContact CG2-CD2 3.55Å; L84-L93 HydrophobicContact CD1-CD1 4.13Å; L84-L93 HydrophobicContact CD1-CD2 4.48Å; L84-L93 HydrophobicContact CD1-CG 4.07Å; N91-L93 VanDerWaalsContact C-N 3.29Å; N91-L93 PolarHBondContact O-N 2.88Å; L93-Y96 PolarHBondContact O-N 3.46Å; L93-Q97 WeakPolarHBondContact O-CG 3.25Å; L93-Q97 PolarHBondContact O-N 2.94Å; L93-Q97 VanDerWaalsContact O-N 3.12Å; L93-T103 HydrophobicContact CB-CG2 4.34Å; L93-T103 HydrophobicContact CD2-CG2 3.55Å; L93-T103 HydrophobicContact CG-CG2 4.48Å; L93-H105 HydrophobicContact CD1-CB 4.05Å
94	D	97.6	Very high	97.6	Very high	74 Å²	74	53.1 Å²	53.1	40%	0.396	28%	0.28	S	S	.	.	H	α-helix	trans	-67.8	-38.7	176.4	-53.9	-36.9	0	0	0	110.6	N91 L92 Q97 Q98	N91-D94 PolarHBondContact O-N 3.42Å; N91-D94 VanDerWaalsContact O-N 3.16Å; L92-D94 VanDerWaalsContact C-N 3.34Å; D94-Q97 PolarHBondContact O-N 3.2Å; D94-Q98 WeakPolarHBondContact O-CB 3.49Å; D94-Q98 VanDerWaalsContact O-CG 3.23Å; D94-Q98 WeakPolarHBondContact O-CG 3.49Å; D94-Q98 PolarHBondContact O-N 2.89Å
95	L	97.3	Very high	97.6	Very high	20 Å²	20	55.6 Å²	55.6	11%	0.105	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-43.4	175.6	-72.4	172.5	0	0	0	111.8	V60 N91 L92 Q97 Q98 C99	V60-L95 HydrophobicContact CB-CD1 4.27Å; V60-L95 HydrophobicContact CG1-CD1 3.67Å; V60-L95 HydrophobicContact CG2-CD1 3.6Å; N91-L95 WeakPolarHBondContact O-CG 3.41Å; N91-L95 PolarHBondContact O-N 2.93Å; L92-L95 PolarHBondContact O-N 3.43Å; L95-Q97 VanDerWaalsContact C-N 3.35Å; L95-Q97 PolarHBondContact O-N 3.28Å; L95-Q98 PolarHBondContact O-N 2.85Å; L95-C99 PolarHBondContact O-N 2.93Å; L95-C99 PolarHBondContact O-SG 2.81Å
96	Y	98.3	Very high	97.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.7	-47.1	173.5	-68.3	-24.6	0	0	0	112	P49 T64 L67 I75 V77 L92 L93 Q98 C99 G100 I101 T103 H139	P49-Y96 WeakPolarHBondContact CB-OH 3.31Å; P49-Y96 WeakPolarHBondContact CD-OH 3.32Å; P49-Y96 WeakPolarHBondContact CG-OH 3.22Å; T64-Y96 HydrophobicContact CG2-CD1 3.75Å; T64-Y96 HydrophobicContact CG2-CE1 4.14Å; L67-Y96 HydrophobicContact CD1-CE1 4.02Å; I75-Y96 HydrophobicContact CB-CD2 4.37Å; I75-Y96 HydrophobicContact CB-CE2 4.41Å; I75-Y96 HydrophobicContact CD1-CD1 3.94Å; I75-Y96 HydrophobicContact CD1-CD2 4.09Å; I75-Y96 HydrophobicContact CD1-CE1 3.79Å; I75-Y96 HydrophobicContact CD1-CE2 3.94Å; I75-Y96 HydrophobicContact CD1-CG 4.1Å; I75-Y96 HydrophobicContact CG2-CD2 4.17Å; I75-Y96 HydrophobicContact CG2-CE2 3.76Å; V77-Y96 HydrophobicContact CG2-CD2 4.45Å; V77-Y96 HydrophobicContact CG2-CE2 4.03Å; L92-Y96 HydrophobicContact CD1-CE1 3.92Å; L92-Y96 HydrophobicContact CD1-CE2 4.16Å; L92-Y96 HydrophobicContact CD2-CE2 4.1Å; L92-Y96 HydrophobicContact CG-CD2 4.38Å; L92-Y96 HydrophobicContact CG-CE1 4.4Å; L92-Y96 HydrophobicContact CG-CE2 3.73Å; L92-Y96 PolarHBondContact O-N 3.21Å; L93-Y96 PolarHBondContact O-N 3.46Å; Y96-Q98 PolarHBondContact O-N 3.07Å; Y96-C99 CarbonylContact O-C 3.54Å; Y96-C99 PolarHBondContact O-N 2.68Å; Y96-G100 PolarHBondContact O-N 2.97Å; Y96-I101 CarbonylContact C-O 3.52Å; Y96-I101 HydrophobicContact CD1-CD1 4.35Å; Y96-I101 WeakPolarHBondContact O-CB 2.96Å; Y96-I101 PolarHBondContact O-N 2.72Å; Y96-T103 WeakPolarHBondContact CB-OG1 3.49Å; Y96-T103 HydrophobicContact CD2-CG2 3.99Å; Y96-H139 AromaticContact CE2-NE2 3.86Å; Y96-H139 PolarHBondContact OH-NE2 3.22Å
97	Q	96.7	Very high	97.7	Very high	114 Å²	114	50.7 Å²	50.7	53%	0.533	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-42.6	178.2	-70.3	176.3	-9.3	0	0	112.3	L93 D94 L95 C99 G100	L93-Q97 WeakPolarHBondContact O-CG 3.25Å; L93-Q97 PolarHBondContact O-N 2.94Å; L93-Q97 VanDerWaalsContact O-N 3.12Å; D94-Q97 PolarHBondContact O-N 3.2Å; L95-Q97 VanDerWaalsContact C-N 3.35Å; L95-Q97 PolarHBondContact O-N 3.28Å; Q97-C99 VanDerWaalsContact C-N 3.27Å; Q97-C99 PolarHBondContact O-N 2.97Å; Q97-G100 WeakPolarHBondContact O-CA 3.46Å; Q97-G100 PolarHBondContact O-N 2.94Å
98	Q	96.7	Very high	97.8	Very high	152 Å²	152	50.4 Å²	50.4	71%	0.71	27%	0.267	S	S	*	.	H	α-helix	trans	-62.8	-33.5	176.5	-73.6	171.1	6	0	0	112.5	D94 L95 Y96 G100	D94-Q98 WeakPolarHBondContact O-CB 3.49Å; D94-Q98 VanDerWaalsContact O-CG 3.23Å; D94-Q98 WeakPolarHBondContact O-CG 3.49Å; D94-Q98 PolarHBondContact O-N 2.89Å; L95-Q98 PolarHBondContact O-N 2.85Å; Y96-Q98 PolarHBondContact O-N 3.07Å; Q98-G100 PolarHBondContact O-N 3.38Å
99	C	95	Very high	97.8	Very high	44 Å²	44	45.4 Å²	45.4	30%	0.297	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	7.5	172.6	-67	0	0	0	0	113.4	T64 K68 L95 Y96 Q97 I101	T64-C99 HydrophobicContact CG2-CB 4Å; T64-C99 VanDerWaalsContact CG2-SG 3.58Å; K68-C99 VanDerWaalsContact CD-O 3.27Å; K68-C99 WeakPolarHBondContact CD-O 3.45Å; K68-C99 WeakPolarHBondContact CE-O 3.32Å; K68-C99 PolarHBondContact NZ-O 2.87Å; L95-C99 PolarHBondContact O-N 2.93Å; L95-C99 PolarHBondContact O-SG 2.81Å; Y96-C99 CarbonylContact O-C 3.54Å; Y96-C99 PolarHBondContact O-N 2.68Å; Q97-C99 VanDerWaalsContact C-N 3.27Å; Q97-C99 PolarHBondContact O-N 2.97Å; C99-I101 VanDerWaalsContact C-N 3.34Å; C99-I101 HydrophobicContact CB-CD1 4.43Å; C99-I101 PolarHBondContact O-N 3.39Å
100	G	96.6	Very high	97.7	Very high	49 Å²	49	50.3 Å²	50.3	51%	0.505	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	35	179.4	0	0	0	0	0	112.9	K68 Y96 Q97 Q98	K68-G100 PolarHBondContact NZ-O 2.86Å; K68-G100 VanDerWaalsContact NZ-O 3.12Å; Y96-G100 PolarHBondContact O-N 2.97Å; Q97-G100 WeakPolarHBondContact O-CA 3.46Å; Q97-G100 PolarHBondContact O-N 2.94Å; Q98-G100 PolarHBondContact O-N 3.38Å
101	I	98.4	Very high	97.6	Very high	3 Å²	3	48 Å²	48	2%	0.015	28%	0.277	C	S	.	.			trans	-102.6	126.6	171.2	-62.4	168.1	0	0	0	107.8	K68 I72 I75 Y96 C99 T103	K68-I101 HydrophobicContact CB-CD1 4.5Å; K68-I101 HydrophobicContact CD-CG1 4.27Å; I72-I101 HydrophobicContact CG2-CG2 4.49Å; I75-I101 HydrophobicContact CB-CG2 4.09Å; I75-I101 HydrophobicContact CD1-CD1 4.16Å; I75-I101 HydrophobicContact CD1-CG2 3.75Å; I75-I101 HydrophobicContact CG1-CG2 3.61Å; Y96-I101 CarbonylContact C-O 3.52Å; Y96-I101 HydrophobicContact CD1-CD1 4.35Å; Y96-I101 WeakPolarHBondContact O-CB 2.96Å; Y96-I101 PolarHBondContact O-N 2.72Å; C99-I101 VanDerWaalsContact C-N 3.34Å; C99-I101 HydrophobicContact CB-CD1 4.43Å; C99-I101 PolarHBondContact O-N 3.39Å; I101-T103 PolarHBondContact O-N 3.4Å; I101-T103 PolarHBondContact O-OG1 2.82Å
102	I	98.5	Very high	97.6	Very high	87 Å²	87	45.6 Å²	45.6	45%	0.446	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.9	174.8	-58.6	173.3	0	0	0	107.6	Q73 D74 I75	Q73-I102 PolarHBondContact O-N 2.98Å; D74-I102 CarbonylContact C-O 3.58Å; D74-I102 WeakPolarHBondContact CA-O 3.4Å; D74-I102 WeakPolarHBondContact OD1-CB 3.48Å; I75-I102 PolarHBondContact N-O 2.7Å
103	T	98.2	Very high	97.6	Very high	25 Å²	25	48 Å²	48	15%	0.153	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.6	-172.8	-52.5	0	0	0	0	110.6	I75 V77 L93 Y96 I101	I75-T103 WeakPolarHBondContact O-CA 3.47Å; V77-T103 HydrophobicContact CG2-CG2 4.05Å; L93-T103 HydrophobicContact CB-CG2 4.34Å; L93-T103 HydrophobicContact CD2-CG2 3.55Å; L93-T103 HydrophobicContact CG-CG2 4.48Å; Y96-T103 WeakPolarHBondContact CB-OG1 3.49Å; Y96-T103 HydrophobicContact CD2-CG2 3.99Å; I101-T103 PolarHBondContact O-N 3.4Å; I101-T103 PolarHBondContact O-OG1 2.82Å
104	H	98.7	Very high	97.6	Very high	35 Å²	35	48 Å²	48	16%	0.162	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	104.4	178.9	-54.6	-88	0	0	0	108.4	D74 I75 F76 V77 E125	D74-H104 IonicContact OD1-CD2 3.89Å; D74-H104 IonicContact OD1-CE1 3.92Å; D74-H104 IonicContact OD1-NE2 2.95Å; D74-H104 PolarHBondContact OD1-NE2 3.28Å; I75-H104 PolarHBondContact O-N 3.23Å; F76-H104 WeakPolarHBondContact CA-O 3.35Å; F76-H104 HydrophobicContact CD1-CB 3.57Å; F76-H104 HydrophobicContact CD2-CB 4.29Å; F76-H104 AromaticContact CD2-CD2 3.94Å; F76-H104 HydrophobicContact CE1-CB 3.59Å; F76-H104 AromaticContact CE1-CG 3.78Å; F76-H104 HydrophobicContact CE2-CB 4.3Å; F76-H104 AromaticContact CE2-CD2 3.47Å; F76-H104 VanDerWaalsContact CE2-CD2 3.47Å; F76-H104 WeakPolarHBondContact CE2-CD2 3.37Å; F76-H104 AromaticContact CE2-CG 3.94Å; F76-H104 HydrophobicContact CG-CB 3.93Å; F76-H104 HydrophobicContact CZ-CB 3.96Å; F76-H104 AromaticContact CZ-CD2 3.6Å; F76-H104 AromaticContact CZ-CG 3.63Å; V77-H104 PolarHBondContact N-O 3.2Å; H104-E125 IonicContact CG-OE2 3.35Å; H104-E125 IonicContact ND1-OE2 3.45Å; H104-E125 PolarHBondContact ND1-OE2 3.09Å
105	H	98.8	Very high	97.6	Very high	52 Å²	52	49.3 Å²	49.3	24%	0.241	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	103.1	-175.1	-174.3	-149.3	0	0	0	111.4	V77 C79 R81 L93 P107	V77-H105 PolarHBondContact O-CD2 2.96Å; C79-H105 PolarHBondContact O-NE2 3.44Å; R81-H105 PolarHBondContact NE-CE1 2.79Å; R81-H105 PolarHBondContact NE-ND1 3.01Å; L93-H105 HydrophobicContact CD1-CB 4.05Å; H105-P107 WeakPolarHBondContact O-CD 3.39Å
106	H	98.8	Very high	97.6	Very high	18 Å²	18	50.1 Å²	50.1	8%	0.083	29%	0.294	C	S	.	.			trans	-120.8	80.1	-177.9	-73.4	-76	0	0	0	110.4	V77 F78 I108 I122 E125	V77-H106 CarbonylContact O-C 3.55Å; V77-H106 PolarHBondContact O-N 3Å; F78-H106 WeakPolarHBondContact CA-O 3.49Å; F78-H106 HydrophobicContact CD1-CB 4.24Å; F78-H106 HydrophobicContact CE1-CB 4.45Å; H106-I108 PolarHBondContact O-N 3.43Å; H106-I122 HydrophobicContact CB-CD1 3.75Å; H106-I122 HydrophobicContact CB-CG1 3.79Å; H106-I122 VanDerWaalsContact CG-CG1 3.46Å; H106-E125 IonicContact CD2-OE2 2.83Å; H106-E125 IonicContact CE1-OE1 3.55Å; H106-E125 IonicContact CE1-OE2 3.8Å; H106-E125 IonicContact NE2-OE1 2.88Å; H106-E125 IonicContact NE2-OE2 3.34Å; H106-E125 PolarHBondContact NE2-OE2 3.03Å
107	P	98.5	Very high	97.6	Very high	74 Å²	74	51.7 Å²	51.7	48%	0.481	31%	0.306	S	S	.	.			trans	-65.6	124.5	-171.5	26.5	-34.4	0	0	0	112.3	T80 H105	T80-P107 HydrophobicContact CG2-CB 4.13Å; H105-P107 WeakPolarHBondContact O-CD 3.39Å
108	I	98.6	Very high	97.7	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	29%	0.288	C	S	.	.			trans	-117.4	128	175.5	-55.7	169.3	0	0	0	108.3	F78 H106 P114 R146 V150	F78-I108 HydrophobicContact CB-CB 4.48Å; F78-I108 HydrophobicContact CB-CD1 4.1Å; F78-I108 HydrophobicContact CB-CG1 4.34Å; F78-I108 HydrophobicContact CD1-CD1 3.95Å; F78-I108 HydrophobicContact CG-CD1 4.04Å; F78-I108 PolarHBondContact O-N 3.12Å; H106-I108 PolarHBondContact O-N 3.43Å; I108-P114 HydrophobicContact CD1-CB 4.21Å; I108-P114 HydrophobicContact CD1-CG 4.11Å; I108-P114 HydrophobicContact CG1-CB 4.15Å; I108-R146 HydrophobicContact CB-CG 4.16Å; I108-R146 HydrophobicContact CG2-CG 3.89Å; I108-R146 WeakPolarHBondContact O-CD 3.27Å; I108-R146 PolarHBondContact O-NH1 3.17Å; I108-V150 HydrophobicContact CD1-CG2 3.84Å
109	A	97.8	Very high	97.8	Very high	65 Å²	65	40 Å²	40	54%	0.537	25%	0.254	S	S	.	.			trans	-55.3	139.5	177.7	0	0	0	0	0	111.4	G111 G112	A109-G111 PolarHBondContact O-N 3.37Å; A109-G112 WeakPolarHBondContact O-CA 3.43Å; A109-G112 PolarHBondContact O-N 3.38Å
110	D	96.6	Very high	97.9	Very high	103 Å²	103	38 Å²	38	55%	0.551	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	136.7	-177.1	-166.7	37.6	0	0	0	112	G112 R146	D110-G112 PolarHBondContact O-N 2.93Å; D110-R146 IonicContact OD1-CZ 3.64Å; D110-R146 IonicContact OD1-NE 3.07Å; D110-R146 PolarHBondContact OD1-NE 2.91Å; D110-R146 IonicContact OD1-NH2 3.71Å; D110-R146 PolarHBondContact OD1-NH2 2.88Å
111	G	94.9	Very high	98	Very high	21 Å²	21	40.3 Å²	40.3	22%	0.216	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-1	-170.5	0	0	0	0	0	115.9	A109 T182	A109-G111 PolarHBondContact O-N 3.37Å; G111-T182 WeakPolarHBondContact O-CG2 3.3Å; G111-T182 PolarHBondContact O-OG1 2.99Å
112	G	97.1	Very high	98.1	Very high	14 Å²	14	40.1 Å²	40.1	14%	0.144	24%	0.237	C	C	.	.			trans	-95.4	-164.2	-178.2	0	0	0	0	0	114.2	A109 D110 Q185	A109-G112 WeakPolarHBondContact O-CA 3.43Å; A109-G112 PolarHBondContact O-N 3.38Å; D110-G112 PolarHBondContact O-N 2.93Å; G112-Q185 PolarHBondContact O-NE2 3.5Å
113	T	98.4	Very high	98.1	Very high	49 Å²	49	36 Å²	36	30%	0.301	22%	0.216	S	C	.	.			trans	-137.2	147.9	-178.1	58.8	0	0	0	0	108.7	L149 Q185 Y188	T113-L149 HydrophobicContact CG2-CD2 3.89Å; T113-Q185 HydrophobicContact CG2-CG 4.07Å; T113-Y188 VanDerWaalsContact CB-CD2 3.48Å; T113-Y188 HydrophobicContact CG2-CD2 3.79Å; T113-Y188 HydrophobicContact CG2-CG 3.81Å
114	P	98.1	Very high	98.1	Very high	8 Å²	8	37.7 Å²	37.7	5%	0.052	22%	0.222	C	C	.	.			trans	-65.8	154.8	170.5	29.1	-31.2	0	0	0	109.9	I108 C119 Y188	I108-P114 HydrophobicContact CD1-CB 4.21Å; I108-P114 HydrophobicContact CD1-CG 4.11Å; I108-P114 HydrophobicContact CG1-CB 4.15Å; P114-C119 HydrophobicContact CB-CB 4.22Å; P114-C119 HydrophobicContact CG-CB 3.79Å; P114-Y188 WeakPolarHBondContact O-CE2 3.47Å; P114-Y188 PolarHBondContact O-OH 3.15Å; P114-Y188 VanDerWaalsContact O-OH 3.12Å
115	D	97.8	Very high	98.1	Very high	100 Å²	100	38.8 Å²	38.8	54%	0.535	23%	0.228	S	C	.	.			trans	-65.3	164	162.1	67.7	85.6	0	0	0	109.9	A117 S118 C119	D115-A117 VanDerWaalsContact C-N 3.3Å; D115-A117 PolarHBondContact O-N 2.9Å; D115-A117 WeakPolarHBondContact OD1-CA 3.26Å; D115-A117 WeakPolarHBondContact OD1-CB 3.38Å; D115-A117 PolarHBondContact OD1-N 3.48Å; D115-S118 PolarHBondContact O-N 3.36Å; D115-S118 PolarHBondContact OD1-N 2.93Å; D115-S118 WeakPolarHBondContact OD2-CB 2.99Å; D115-C119 WeakPolarHBondContact O-CB 3.23Å; D115-C119 PolarHBondContact O-N 3.08Å
116	I	98.1	Very high	98.1	Very high	38 Å²	38	36.3 Å²	36.3	20%	0.195	22%	0.216	C	C	.	.	H	α-helix	trans	-68.5	-29.6	-172.6	-168.2	60.3	0	0	0	113.1	C120 F192 K195 L196 H199	I116-C120 VanDerWaalsContact O-CB 3.31Å; I116-C120 WeakPolarHBondContact O-CB 3.3Å; I116-C120 PolarHBondContact O-N 2.86Å; I116-F192 HydrophobicContact CD1-CD2 4.28Å; I116-F192 HydrophobicContact CD1-CE2 4.33Å; I116-K195 HydrophobicContact CB-CB 4.44Å; I116-K195 HydrophobicContact CD1-CB 3.77Å; I116-K195 HydrophobicContact CG1-CB 3.9Å; I116-L196 HydrophobicContact CD1-CB 4.18Å; I116-H199 HydrophobicContact CG1-CB 3.98Å; I116-H199 HydrophobicContact CG2-CB 4.06Å
117	A	97.8	Very high	98.1	Very high	32 Å²	32	36.2 Å²	36.2	26%	0.264	22%	0.217	S	C	.	.	H	α-helix	trans	-70.4	-49.4	178.8	0	0	0	0	0	110	D115 C119 C120 E121	D115-A117 VanDerWaalsContact C-N 3.3Å; D115-A117 PolarHBondContact O-N 2.9Å; D115-A117 WeakPolarHBondContact OD1-CA 3.26Å; D115-A117 WeakPolarHBondContact OD1-CB 3.38Å; D115-A117 PolarHBondContact OD1-N 3.48Å; A117-C119 VanDerWaalsContact C-N 3.3Å; A117-C119 PolarHBondContact O-N 3.31Å; A117-C120 WeakPolarHBondContact O-CB 3.45Å; A117-C120 PolarHBondContact O-N 3.07Å; A117-C120 VanDerWaalsContact O-N 3.12Å; A117-E121 PolarHBondContact O-N 3.5Å
118	S	98.3	Very high	98.1	Very high	22 Å²	22	37.2 Å²	37.2	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-41.2	173.4	174.9	0	0	0	0	111.9	D115 C120 E121 I122	D115-S118 PolarHBondContact O-N 3.36Å; D115-S118 PolarHBondContact OD1-N 2.93Å; D115-S118 WeakPolarHBondContact OD2-CB 2.99Å; S118-C120 VanDerWaalsContact C-N 3.35Å; S118-C120 PolarHBondContact O-N 3.46Å; S118-E121 PolarHBondContact O-N 2.95Å; S118-I122 VanDerWaalsContact O-CG1 3.26Å; S118-I122 WeakPolarHBondContact O-CG1 3.28Å; S118-I122 PolarHBondContact O-N 2.88Å
119	C	98.6	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-41.8	176	-162.8	0	0	0	0	112.1	P114 D115 A117 E121 I122 M123 Y188	P114-C119 HydrophobicContact CB-CB 4.22Å; P114-C119 HydrophobicContact CG-CB 3.79Å; D115-C119 WeakPolarHBondContact O-CB 3.23Å; D115-C119 PolarHBondContact O-N 3.08Å; A117-C119 VanDerWaalsContact C-N 3.3Å; A117-C119 PolarHBondContact O-N 3.31Å; C119-E121 PolarHBondContact O-N 2.81Å; C119-I122 PolarHBondContact O-N 3.12Å; C119-M123 VanDerWaalsContact O-CG 3.3Å; C119-M123 WeakPolarHBondContact O-CG 3.48Å; C119-M123 PolarHBondContact O-N 3.18Å; C119-Y188 WeakPolarHBondContact CB-OH 3.41Å
120	C	98.4	Very high	98	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-46.2	176.5	-169	0	0	0	0	111.4	I116 A117 S118 I122 M123 E124 L196	I116-C120 VanDerWaalsContact O-CB 3.31Å; I116-C120 WeakPolarHBondContact O-CB 3.3Å; I116-C120 PolarHBondContact O-N 2.86Å; A117-C120 WeakPolarHBondContact O-CB 3.45Å; A117-C120 PolarHBondContact O-N 3.07Å; A117-C120 VanDerWaalsContact O-N 3.12Å; S118-C120 VanDerWaalsContact C-N 3.35Å; S118-C120 PolarHBondContact O-N 3.46Å; C120-I122 PolarHBondContact O-N 3.3Å; C120-M123 PolarHBondContact O-N 2.98Å; C120-E124 WeakPolarHBondContact O-CG 3.3Å; C120-E124 PolarHBondContact O-N 3.3Å; C120-L196 HydrophobicContact CB-CD1 4.09Å
121	E	98.5	Very high	98.1	Very high	97 Å²	97	37 Å²	37	45%	0.453	20%	0.2	S	C	.	.	H	α-helix	trans	-58.6	-46.9	176.2	-69.8	172.9	-173.9	0	0	111.6	A117 S118 C119 M123 E124 E125	A117-E121 PolarHBondContact O-N 3.5Å; S118-E121 PolarHBondContact O-N 2.95Å; C119-E121 PolarHBondContact O-N 2.81Å; E121-M123 VanDerWaalsContact C-N 3.3Å; E121-M123 PolarHBondContact O-N 3.36Å; E121-E124 PolarHBondContact O-N 3Å; E121-E125 WeakPolarHBondContact O-CG 3.48Å; E121-E125 PolarHBondContact O-N 2.94Å
122	I	98.8	Very high	98.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-42.5	176.3	-62.3	162.7	0	0	0	110.9	F76 F78 H106 S118 C119 C120 L126 V150	F76-I122 HydrophobicContact CD1-CG2 4.26Å; F76-I122 HydrophobicContact CE1-CG2 4.5Å; F78-I122 HydrophobicContact CE1-CD1 4.43Å; F78-I122 HydrophobicContact CE1-CG2 4.37Å; H106-I122 HydrophobicContact CB-CD1 3.75Å; H106-I122 HydrophobicContact CB-CG1 3.79Å; H106-I122 VanDerWaalsContact CG-CG1 3.46Å; S118-I122 VanDerWaalsContact O-CG1 3.26Å; S118-I122 WeakPolarHBondContact O-CG1 3.28Å; S118-I122 PolarHBondContact O-N 2.88Å; C119-I122 PolarHBondContact O-N 3.12Å; C120-I122 PolarHBondContact O-N 3.3Å; I122-L126 HydrophobicContact CG2-CD1 3.72Å; I122-L126 HydrophobicContact CG2-CG 4.26Å; I122-L126 VanDerWaalsContact O-CB 3.28Å; I122-L126 WeakPolarHBondContact O-CB 3.46Å; I122-L126 VanDerWaalsContact O-CG 3.28Å; I122-L126 WeakPolarHBondContact O-CG 3.21Å; I122-L126 PolarHBondContact O-N 3.41Å; I122-V150 HydrophobicContact CG2-CG1 3.63Å
123	M	98.8	Very high	98.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-42.4	179	-65.8	-55.4	95.5	0	0	111.9	C119 C120 E121 L126 T127 V150 C153 L154 Y157 F192	C119-M123 VanDerWaalsContact O-CG 3.3Å; C119-M123 WeakPolarHBondContact O-CG 3.48Å; C119-M123 PolarHBondContact O-N 3.18Å; C120-M123 PolarHBondContact O-N 2.98Å; E121-M123 VanDerWaalsContact C-N 3.3Å; E121-M123 PolarHBondContact O-N 3.36Å; M123-L126 HydrophobicContact CE-CD1 4.05Å; M123-T127 WeakPolarHBondContact O-CB 3.28Å; M123-T127 PolarHBondContact O-N 3.33Å; M123-T127 PolarHBondContact O-OG1 2.95Å; M123-V150 HydrophobicContact CE-CG1 3.8Å; M123-C153 HydrophobicContact CE-CB 4.08Å; M123-C153 HydrophobicContact SD-CB 3.9Å; M123-L154 HydrophobicContact CE-CB 4.44Å; M123-L154 VanDerWaalsContact SD-CA 3.5Å; M123-L154 HydrophobicContact SD-CB 4Å; M123-L154 HydrophobicContact SD-CD1 4.14Å; M123-L154 PolarHBondContact SD-N 3.37Å; M123-L154 VanDerWaalsContact SD-N 3.44Å; M123-Y157 HydrophobicContact CB-CD1 3.98Å; M123-Y157 HydrophobicContact CB-CD2 3.71Å; M123-Y157 HydrophobicContact CB-CE1 4.03Å; M123-Y157 HydrophobicContact CB-CE2 3.76Å; M123-Y157 HydrophobicContact CB-CG 3.83Å; M123-Y157 HydrophobicContact CG-CD1 4.5Å; M123-Y157 HydrophobicContact CG-CD2 3.77Å; M123-Y157 HydrophobicContact CG-CE2 4.26Å; M123-Y157 HydrophobicContact CG-CG 3.91Å; M123-Y157 HydrophobicContact SD-CG 4.21Å; M123-F192 HydrophobicContact CG-CZ 4.11Å; M123-F192 HydrophobicContact SD-CZ 4.44Å
124	E	98.5	Very high	98.2	Very high	61 Å²	61	49.8 Å²	49.8	29%	0.285	24%	0.241	S	C	.	.	H	α-helix	trans	-62	-49.5	177.3	-72.5	174.5	179	0	0	110.7	C120 E121 T127 I128 R203	C120-E124 WeakPolarHBondContact O-CG 3.3Å; C120-E124 PolarHBondContact O-N 3.3Å; E121-E124 PolarHBondContact O-N 3Å; E124-T127 PolarHBondContact O-N 2.69Å; E124-I128 VanDerWaalsContact O-CG1 3.28Å; E124-I128 WeakPolarHBondContact O-CG1 3.48Å; E124-I128 PolarHBondContact O-N 2.95Å; E124-R203 IonicContact OE1-CZ 3.69Å; E124-R203 IonicContact OE1-NH1 3.49Å; E124-R203 PolarHBondContact OE1-NH1 3.16Å; E124-R203 IonicContact OE1-NH2 3.94Å; E124-R203 PolarHBondContact OE1-NH2 3.02Å; E124-R203 IonicContact OE2-NH1 2.98Å
125	E	98.8	Very high	98.2	Very high	58 Å²	58	53.5 Å²	53.5	27%	0.271	26%	0.256	S	S	.	.	H	α-helix	trans	-64.1	-45.7	178.8	-70.5	176.3	-176.3	0	0	112.8	F76 H104 H106 E121 T127 I128 C129	F76-E125 HydrophobicContact CE1-CB 3.77Å; F76-E125 WeakPolarHBondContact CE1-OE2 3.48Å; F76-E125 HydrophobicContact CZ-CB 3.77Å; H104-E125 IonicContact CG-OE2 3.35Å; H104-E125 IonicContact ND1-OE2 3.45Å; H104-E125 PolarHBondContact ND1-OE2 3.09Å; H106-E125 IonicContact CD2-OE2 2.83Å; H106-E125 IonicContact CE1-OE1 3.55Å; H106-E125 IonicContact CE1-OE2 3.8Å; H106-E125 IonicContact NE2-OE1 2.88Å; H106-E125 IonicContact NE2-OE2 3.34Å; H106-E125 PolarHBondContact NE2-OE2 3.03Å; E121-E125 WeakPolarHBondContact O-CG 3.48Å; E121-E125 PolarHBondContact O-N 2.94Å; E125-T127 VanDerWaalsContact C-N 3.3Å; E125-T127 PolarHBondContact O-N 2.95Å; E125-I128 WeakPolarHBondContact O-CB 3.46Å; E125-I128 PolarHBondContact O-N 2.91Å; E125-C129 PolarHBondContact O-N 2.84Å; E125-C129 PolarHBondContact O-SG 3.44Å
126	L	98.8	Very high	98.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-42.5	175.2	-78.8	171.9	0	0	0	111.1	L43 F76 I122 M123 I128 C129 L130 T136 I138 V150 L154	L43-L126 HydrophobicContact CD1-CD2 4.11Å; F76-L126 HydrophobicContact CD1-CD2 4.28Å; F76-L126 HydrophobicContact CD1-CG 4.28Å; F76-L126 HydrophobicContact CD2-CD2 3.61Å; F76-L126 HydrophobicContact CD2-CG 4.43Å; F76-L126 HydrophobicContact CE1-CD2 4.15Å; F76-L126 HydrophobicContact CE1-CG 3.94Å; F76-L126 HydrophobicContact CE2-CD2 3.47Å; F76-L126 VanDerWaalsContact CE2-CD2 3.47Å; F76-L126 HydrophobicContact CE2-CG 4.12Å; F76-L126 HydrophobicContact CG-CD2 4.04Å; F76-L126 HydrophobicContact CZ-CD2 3.76Å; F76-L126 HydrophobicContact CZ-CG 3.87Å; I122-L126 HydrophobicContact CG2-CD1 3.72Å; I122-L126 HydrophobicContact CG2-CG 4.26Å; I122-L126 VanDerWaalsContact O-CB 3.28Å; I122-L126 WeakPolarHBondContact O-CB 3.46Å; I122-L126 VanDerWaalsContact O-CG 3.28Å; I122-L126 WeakPolarHBondContact O-CG 3.21Å; I122-L126 PolarHBondContact O-N 3.41Å; M123-L126 HydrophobicContact CE-CD1 4.05Å; L126-I128 VanDerWaalsContact C-N 3.32Å; L126-I128 PolarHBondContact O-N 2.9Å; L126-C129 WeakPolarHBondContact O-CB 3.49Å; L126-C129 PolarHBondContact O-N 2.81Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 3.13Å; L126-T136 HydrophobicContact CD2-CG2 3.82Å; L126-I138 HydrophobicContact CD2-CG2 3.91Å; L126-V150 HydrophobicContact CD1-CG1 3.87Å; L126-L154 HydrophobicContact CB-CD1 4.07Å; L126-L154 HydrophobicContact CB-CD2 4.49Å; L126-L154 HydrophobicContact CD1-CD1 4.48Å; L126-L154 HydrophobicContact CD1-CD2 4.34Å
127	T	98.3	Very high	98.3	Very high	15 Å²	15	47 Å²	47	9%	0.092	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-38.2	178.1	-60.7	0	0	0	0	111.4	M123 E124 E125 L130 K131 Y157 L158	M123-T127 WeakPolarHBondContact O-CB 3.28Å; M123-T127 PolarHBondContact O-N 3.33Å; M123-T127 PolarHBondContact O-OG1 2.95Å; E124-T127 PolarHBondContact O-N 2.69Å; E125-T127 VanDerWaalsContact C-N 3.3Å; E125-T127 PolarHBondContact O-N 2.95Å; T127-L130 PolarHBondContact O-N 2.84Å; T127-K131 HydrophobicContact CG2-CD 4.14Å; T127-K131 HydrophobicContact CG2-CG 4.46Å; T127-K131 WeakPolarHBondContact O-CB 3.35Å; T127-K131 VanDerWaalsContact O-CG 3.3Å; T127-K131 WeakPolarHBondContact O-CG 3.38Å; T127-K131 PolarHBondContact O-N 3.33Å; T127-Y157 WeakPolarHBondContact OG1-CE1 3.39Å; T127-L158 HydrophobicContact CG2-CD2 4.37Å
128	I	98.4	Very high	98.4	Very high	95 Å²	95	45.4 Å²	45.4	49%	0.487	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-45.6	173.7	-70.6	162.9	0	0	0	110.6	E124 E125 L126 L130 K131 N132	E124-I128 VanDerWaalsContact O-CG1 3.28Å; E124-I128 WeakPolarHBondContact O-CG1 3.48Å; E124-I128 PolarHBondContact O-N 2.95Å; E125-I128 WeakPolarHBondContact O-CB 3.46Å; E125-I128 PolarHBondContact O-N 2.91Å; L126-I128 VanDerWaalsContact C-N 3.32Å; L126-I128 PolarHBondContact O-N 2.9Å; I128-L130 VanDerWaalsContact C-N 3.33Å; I128-L130 PolarHBondContact O-N 2.86Å; I128-K131 PolarHBondContact O-N 3.4Å; I128-N132 WeakPolarHBondContact O-CB 3.15Å; I128-N132 PolarHBondContact O-N 3.34Å; I128-N132 PolarHBondContact O-ND2 3.4Å
129	C	98.4	Very high	98.4	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.034	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-46.4	177.4	-66.1	0	0	0	0	111.2	E125 L126 N132 Y133 R134 T136	E125-C129 PolarHBondContact O-N 2.84Å; E125-C129 PolarHBondContact O-SG 3.44Å; L126-C129 WeakPolarHBondContact O-CB 3.49Å; L126-C129 PolarHBondContact O-N 2.81Å; C129-N132 CarbonylContact O-C 3.58Å; C129-N132 PolarHBondContact O-N 2.98Å; C129-Y133 PolarHBondContact O-N 2.88Å; C129-R134 HydrophobicContact CB-CB 4.07Å; C129-R134 HydrophobicContact CB-CG 4.38Å; C129-R134 VanDerWaalsContact O-CB 3.24Å; C129-R134 WeakPolarHBondContact O-CB 3.48Å; C129-R134 VanDerWaalsContact O-CG 3.26Å; C129-R134 WeakPolarHBondContact O-CG 3.47Å; C129-R134 PolarHBondContact O-N 3.24Å; C129-T136 HydrophobicContact CB-CG2 4.34Å; C129-T136 WeakPolarHBondContact CB-OG1 3.28Å
130	L	97.8	Very high	98.4	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.037	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-50.3	175	-67.6	173.9	0	0	0	111.3	L34 Q41 L126 T127 I128 N132 Y133 L154 L158	L34-L130 HydrophobicContact CD1-CD1 3.59Å; L34-L130 HydrophobicContact CD1-CD2 3.76Å; L34-L130 HydrophobicContact CD1-CG 4.35Å; Q41-L130 HydrophobicContact CB-CD2 3.89Å; Q41-L130 VanDerWaalsContact NE2-C 3.26Å; Q41-L130 PolarHBondContact NE2-O 3.14Å; Q41-L130 PolarHBondContact OE1-O 2.97Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 3.13Å; T127-L130 PolarHBondContact O-N 2.84Å; I128-L130 VanDerWaalsContact C-N 3.33Å; I128-L130 PolarHBondContact O-N 2.86Å; L130-N132 PolarHBondContact O-N 2.77Å; L130-Y133 PolarHBondContact O-N 2.77Å; L130-L154 HydrophobicContact CD1-CD2 4.08Å; L130-L158 HydrophobicContact CD1-CD1 4.1Å
131	K	97.1	Very high	98.3	Very high	153 Å²	153	47.4 Å²	47.4	67%	0.665	21%	0.214	S	C	*	.	H	α-helix	trans	-56.3	-30.2	179.9	-76.6	173.9	178.3	176.3	0	113.1	T127 I128	T127-K131 HydrophobicContact CG2-CD 4.14Å; T127-K131 HydrophobicContact CG2-CG 4.46Å; T127-K131 WeakPolarHBondContact O-CB 3.35Å; T127-K131 VanDerWaalsContact O-CG 3.3Å; T127-K131 WeakPolarHBondContact O-CG 3.38Å; T127-K131 PolarHBondContact O-N 3.33Å; I128-K131 PolarHBondContact O-N 3.4Å
132	N	97.8	Very high	98.2	Very high	105 Å²	105	44 Å²	44	56%	0.561	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	15.4	178.8	-66.3	-30.3	0	0	0	113.9	I128 C129 L130 R134	I128-N132 WeakPolarHBondContact O-CB 3.15Å; I128-N132 PolarHBondContact O-N 3.34Å; I128-N132 PolarHBondContact O-ND2 3.4Å; C129-N132 CarbonylContact O-C 3.58Å; C129-N132 PolarHBondContact O-N 2.98Å; L130-N132 PolarHBondContact O-N 2.77Å; N132-R134 HydrophobicContact CB-CG 3.84Å; N132-R134 PolarHBondContact O-N 3.17Å; N132-R134 VanDerWaalsContact O-N 3.15Å
133	Y	97.6	Very high	98.1	Very high	174 Å²	174	44 Å²	44	68%	0.682	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	33.6	179.6	-60.8	-86.4	0	0	0	113.6	Q41 C129 L130	Q41-Y133 HydrophobicContact CG-CD1 4.48Å; C129-Y133 PolarHBondContact O-N 2.88Å; L130-Y133 PolarHBondContact O-N 2.77Å
134	R	98.2	Very high	98	Very high	75 Å²	75	46.4 Å²	46.4	28%	0.283	22%	0.217	S	C	.	.			trans	-79.8	129.8	-179.1	-53.6	-63.1	-68.2	-177.8	-4.4	109.7	D74 C129 N132 T136	D74-R134 WeakPolarHBondContact OD2-CB 3.28Å; D74-R134 IonicContact OD2-CZ 3.39Å; D74-R134 IonicContact OD2-NE 3.99Å; D74-R134 PolarHBondContact OD2-NE 3.31Å; D74-R134 IonicContact OD2-NH2 2.94Å; D74-R134 PolarHBondContact OD2-NH2 3.44Å; C129-R134 HydrophobicContact CB-CB 4.07Å; C129-R134 HydrophobicContact CB-CG 4.38Å; C129-R134 VanDerWaalsContact O-CB 3.24Å; C129-R134 WeakPolarHBondContact O-CB 3.48Å; C129-R134 VanDerWaalsContact O-CG 3.26Å; C129-R134 WeakPolarHBondContact O-CG 3.47Å; C129-R134 PolarHBondContact O-N 3.24Å; N132-R134 HydrophobicContact CB-CG 3.84Å; N132-R134 PolarHBondContact O-N 3.17Å; N132-R134 VanDerWaalsContact O-N 3.15Å; R134-T136 PolarHBondContact O-N 3.1Å; R134-T136 PolarHBondContact O-OG1 3.31Å
135	K	98.4	Very high	97.9	Very high	85 Å²	85	43.5 Å²	43.5	37%	0.37	20%	0.204	S	C	.	.			trans	-73.1	97.7	175	-163.8	172.2	-174.3	173.8	0	109.1	W31 C70 G71 I72 Q73 D74	W31-K135 HydrophobicContact CH2-CD 4.21Å; W31-K135 HydrophobicContact CH2-CG 3.89Å; W31-K135 HydrophobicContact CZ3-CG 4.3Å; C70-K135 WeakPolarHBondContact O-CD 3.37Å; C70-K135 VanDerWaalsContact O-CE 3.32Å; C70-K135 WeakPolarHBondContact O-CE 3.21Å; C70-K135 PolarHBondContact O-NZ 2.96Å; G71-K135 WeakPolarHBondContact O-CB 3.37Å; G71-K135 WeakPolarHBondContact O-CD 3.33Å; I72-K135 HydrophobicContact CD1-CD 4.28Å; I72-K135 HydrophobicContact CD1-CG 4.05Å; Q73-K135 PolarHBondContact N-O 3Å; Q73-K135 VanDerWaalsContact NE2-N 3.19Å; D74-K135 PolarHBondContact N-O 3.08Å
136	T	98.8	Very high	97.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.6	-166.2	-52.3	0	0	0	0	111.1	L43 G44 D74 F76 L126 C129 R134	L43-T136 HydrophobicContact CD1-CG2 3.91Å; G44-T136 PolarHBondContact N-O 3.18Å; D74-T136 HydrophobicContact CB-CG2 4.28Å; D74-T136 WeakPolarHBondContact O-CA 3.4Å; F76-T136 HydrophobicContact CD2-CG2 3.84Å; F76-T136 HydrophobicContact CE2-CG2 3.74Å; L126-T136 HydrophobicContact CD2-CG2 3.82Å; C129-T136 HydrophobicContact CB-CG2 4.34Å; C129-T136 WeakPolarHBondContact CB-OG1 3.28Å; R134-T136 PolarHBondContact O-N 3.1Å; R134-T136 PolarHBondContact O-OG1 3.31Å
137	L	98.9	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	139.5	178.3	174.1	68.3	0	0	0	109.6	I29 G44 C46 L67 I72 D74 I75 F76	I29-L137 HydrophobicContact CG1-CD1 4.48Å; I29-L137 HydrophobicContact CG2-CD1 3.81Å; G44-L137 VanDerWaalsContact C-CD1 3.42Å; G44-L137 WeakPolarHBondContact O-CA 3.34Å; G44-L137 WeakPolarHBondContact O-CD1 3.08Å; C46-L137 HydrophobicContact CB-CD1 4.24Å; L67-L137 HydrophobicContact CD1-CD2 4.04Å; L67-L137 HydrophobicContact CD2-CD2 3.58Å; L67-L137 HydrophobicContact CG-CD2 4.4Å; I72-L137 HydrophobicContact CD1-CB 4.13Å; I72-L137 HydrophobicContact CG1-CD2 4.34Å; I72-L137 HydrophobicContact CG2-CB 3.95Å; I72-L137 HydrophobicContact CG2-CD2 4.43Å; D74-L137 PolarHBondContact O-N 3.42Å; I75-L137 CarbonylContact C-O 3.57Å; I75-L137 VanDerWaalsContact CA-O 3.27Å; I75-L137 WeakPolarHBondContact CA-O 3.2Å; I75-L137 HydrophobicContact CD1-CD2 4.2Å; I75-L137 HydrophobicContact CG1-CB 4.21Å; I75-L137 HydrophobicContact CG1-CD2 4.26Å; F76-L137 PolarHBondContact N-O 3.04Å
138	I	98.9	Very high	97.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.2	174.1	74.5	173.7	0	0	0	109.9	L43 G44 L45 C46 F76 F78 L126 S147 V150 A151	L43-I138 HydrophobicContact CD1-CG2 3.98Å; L43-I138 HydrophobicContact CD2-CD1 3.94Å; L43-I138 HydrophobicContact CD2-CG1 4.49Å; L43-I138 HydrophobicContact CD2-CG2 4.36Å; L43-I138 HydrophobicContact CG-CG2 4.36Å; G44-I138 PolarHBondContact O-N 3.13Å; L45-I138 WeakPolarHBondContact CA-O 3.44Å; L45-I138 HydrophobicContact CD1-CD1 4.38Å; L45-I138 HydrophobicContact CD1-CG1 4.28Å; L45-I138 HydrophobicContact CG-CD1 4.13Å; L45-I138 HydrophobicContact CG-CG1 3.85Å; C46-I138 PolarHBondContact N-O 3.41Å; F76-I138 HydrophobicContact CB-CB 4.18Å; F76-I138 HydrophobicContact CB-CG2 3.83Å; F76-I138 HydrophobicContact CD2-CG2 4.22Å; F76-I138 HydrophobicContact CG-CG2 4.22Å; F76-I138 WeakPolarHBondContact O-CA 3.42Å; F78-I138 HydrophobicContact CE2-CB 3.75Å; F78-I138 HydrophobicContact CE2-CD1 4.02Å; F78-I138 HydrophobicContact CE2-CG1 4.15Å; F78-I138 HydrophobicContact CZ-CB 3.91Å; F78-I138 HydrophobicContact CZ-CD1 4.39Å; F78-I138 HydrophobicContact CZ-CG2 4.31Å; L126-I138 HydrophobicContact CD2-CG2 3.91Å; I138-S147 WeakPolarHBondContact CD1-O 3.2Å; I138-V150 HydrophobicContact CD1-CB 4.5Å; I138-V150 HydrophobicContact CD1-CG1 4.45Å; I138-A151 HydrophobicContact CD1-CB 3.98Å
139	H	98.7	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	158.6	174.9	80.3	89.9	0	0	0	113.4	C46 F76 V77 F78 Y96 S147	C46-H139 WeakPolarHBondContact O-CB 3.4Å; F76-H139 PolarHBondContact O-N 3.25Å; V77-H139 WeakPolarHBondContact CG2-NE2 3.38Å; F78-H139 VanDerWaalsContact CD2-O 3.3Å; F78-H139 WeakPolarHBondContact CD2-O 3.45Å; F78-H139 PolarHBondContact N-O 3.24Å; Y96-H139 AromaticContact CE2-NE2 3.86Å; Y96-H139 PolarHBondContact OH-NE2 3.22Å; H139-S147 VanDerWaalsContact C-OG 3.26Å; H139-S147 WeakPolarHBondContact CA-OG 3.48Å
140	C	97.9	Very high	97.9	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.02	16%	0.163	C	C	.	.			trans	-126.1	-143.5	167.3	67.6	0	0	0	0	107.8	L48 F78 G143 R146 S147	L48-C140 PolarHBondContact N-O 3.07Å; F78-C140 HydrophobicContact CB-CB 4.09Å; F78-C140 HydrophobicContact CD2-CB 4.41Å; C140-G143 PolarHBondContact SG-N 2.92Å; C140-R146 HydrophobicContact CB-CB 3.83Å; C140-S147 PolarHBondContact N-OG 2.81Å; C140-S147 PolarHBondContact SG-OG 3Å; C140-S147 VanDerWaalsContact SG-OG 3.37Å
141	Y	98.1	Very high	98	Very high	62 Å²	62	35.1 Å²	35.1	24%	0.243	16%	0.161	C	C	.	.	S	Bend	trans	-71	-64.7	171.2	173.1	-111.7	0	0	0	111.8	L48 F53 C79 Y87	L48-Y141 HydrophobicContact CB-CD2 4.45Å; L48-Y141 WeakPolarHBondContact CB-O 3.42Å; L48-Y141 HydrophobicContact CD2-CD2 4.18Å; L48-Y141 PolarHBondContact N-O 3.4Å; F53-Y141 WeakPolarHBondContact CD1-OH 3.36Å; C79-Y141 PolarHBondContact SG-N 3.3Å; C79-Y141 VanDerWaalsContact SG-N 3.41Å; Y87-Y141 HydrophobicContact CD1-CD2 4.1Å; Y87-Y141 AromaticContact CD1-CE2 3.73Å; Y87-Y141 HydrophobicContact CD1-CE2 3.73Å; Y87-Y141 AromaticContact CD2-CD2 3.65Å; Y87-Y141 HydrophobicContact CD2-CD2 3.65Å; Y87-Y141 HydrophobicContact CD2-CE2 4.15Å; Y87-Y141 AromaticContact CE1-CD2 3.77Å; Y87-Y141 HydrophobicContact CE1-CD2 3.77Å; Y87-Y141 AromaticContact CE1-CE2 3.42Å; Y87-Y141 HydrophobicContact CE1-CE2 3.42Å; Y87-Y141 VanDerWaalsContact CE1-CE2 3.42Å; Y87-Y141 AromaticContact CE2-CD2 3.32Å; Y87-Y141 HydrophobicContact CE2-CD2 3.32Å; Y87-Y141 AromaticContact CE2-CE2 3.91Å; Y87-Y141 HydrophobicContact CE2-CE2 3.91Å; Y87-Y141 AromaticContact CE2-CG 3.83Å; Y87-Y141 HydrophobicContact CE2-CG 3.83Å; Y87-Y141 HydrophobicContact CG-CD2 4.04Å; Y87-Y141 HydrophobicContact CG-CE2 4.07Å; Y87-Y141 AromaticContact CZ-CD2 3.36Å; Y87-Y141 AromaticContact CZ-CE2 3.52Å; Y87-Y141 AromaticContact CZ-CG 3.83Å
142	G	96	Very high	98.1	Very high	26 Å²	26	27.9 Å²	27.9	27%	0.268	13%	0.129	S	C	.	.	S	Bend	trans	-96.2	-11.2	-174.4	0	0	0	0	0	115.7	L144 R175	G142-L144 VanDerWaalsContact C-N 3.29Å; G142-L144 PolarHBondContact O-N 3.46Å; G142-R175 PolarHBondContact O-NH2 3.15Å
143	G	95.8	Very high	98.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	62.8	33.3	-173.5	0	0	0	0	0	113.7	C46 C140 R175	C46-G143 WeakPolarHBondContact O-CA 3.31Å; C140-G143 PolarHBondContact SG-N 2.92Å; G143-R175 PolarHBondContact O-NE 2.94Å; G143-R175 PolarHBondContact O-NH2 2.91Å
144	L	96.1	Very high	98.2	Very high	50 Å²	50	14.6 Å²	14.6	26%	0.262	7%	0.07	S	C	.	.	S	Bend	trans	-127.2	-43	-176.5	-66.9	176.3	0	0	0	113.6	G142 C148 R175 A179 I180 Q181	G142-L144 VanDerWaalsContact C-N 3.29Å; G142-L144 PolarHBondContact O-N 3.46Å; L144-C148 WeakPolarHBondContact O-CB 3.21Å; L144-C148 PolarHBondContact O-SG 2.83Å; L144-R175 HydrophobicContact CD2-CB 3.99Å; L144-R175 WeakPolarHBondContact CD2-O 3.1Å; L144-A179 WeakPolarHBondContact O-CA 3.35Å; L144-I180 PolarHBondContact O-N 3.32Å; L144-I180 VanDerWaalsContact O-N 3.11Å; L144-Q181 HydrophobicContact CB-CG 4.35Å
145	G	97.2	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	S	Bend	trans	-91.4	-86.4	179.3	0	0	0	0	0	112.2	S147 C148 L149 Q181	G145-S147 PolarHBondContact O-N 2.96Å; G145-C148 PolarHBondContact O-N 2.91Å; G145-C148 VanDerWaalsContact O-N 3.16Å; G145-L149 PolarHBondContact O-N 3.47Å; G145-Q181 VanDerWaalsContact CA-OE1 3.24Å; G145-Q181 VanDerWaalsContact N-OE1 3.17Å
146	R	98.6	Very high	98.2	Very high	3 Å²	3	7.1 Å²	7.1	1%	0.011	4%	0.04	C	C	.	.	H	α-helix	trans	-55.8	-45.3	-174.5	-70.6	167.4	-79.9	173.4	-5.2	113.9	F78 E83 I108 D110 C140 L149 V150	F78-R146 HydrophobicContact CB-CB 4.31Å; F78-R146 PolarHBondContact O-NH1 3.02Å; E83-R146 VanDerWaalsContact CD-NH1 3.27Å; E83-R146 IonicContact OE1-CZ 3.87Å; E83-R146 IonicContact OE1-NH1 2.85Å; E83-R146 PolarHBondContact OE1-NH1 3.46Å; E83-R146 IonicContact OE1-NH2 3.73Å; E83-R146 PolarHBondContact OE1-NH2 3.33Å; E83-R146 IonicContact OE2-CZ 3.11Å; E83-R146 IonicContact OE2-NH1 3.66Å; E83-R146 PolarHBondContact OE2-NH1 3.07Å; I108-R146 HydrophobicContact CB-CG 4.16Å; I108-R146 HydrophobicContact CG2-CG 3.89Å; I108-R146 WeakPolarHBondContact O-CD 3.27Å; I108-R146 PolarHBondContact O-NH1 3.17Å; D110-R146 IonicContact OD1-CZ 3.64Å; D110-R146 IonicContact OD1-NE 3.07Å; D110-R146 PolarHBondContact OD1-NE 2.91Å; D110-R146 IonicContact OD1-NH2 3.71Å; D110-R146 PolarHBondContact OD1-NH2 2.88Å; C140-R146 HydrophobicContact CB-CB 3.83Å; R146-L149 WeakPolarHBondContact O-CB 3.37Å; R146-L149 PolarHBondContact O-N 3.12Å; R146-V150 WeakPolarHBondContact O-CG2 3.21Å; R146-V150 PolarHBondContact O-N 3.46Å
147	S	98.6	Very high	98.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.6	-44.5	177	-53.3	0	0	0	0	112.5	I138 H139 C140 G145 L149 V150 A151	I138-S147 WeakPolarHBondContact CD1-O 3.2Å; H139-S147 VanDerWaalsContact C-OG 3.26Å; H139-S147 WeakPolarHBondContact CA-OG 3.48Å; C140-S147 PolarHBondContact N-OG 2.81Å; C140-S147 PolarHBondContact SG-OG 3Å; C140-S147 VanDerWaalsContact SG-OG 3.37Å; G145-S147 PolarHBondContact O-N 2.96Å; S147-L149 VanDerWaalsContact C-N 3.34Å; S147-V150 PolarHBondContact O-N 3.25Å; S147-A151 WeakPolarHBondContact O-CB 3.45Å; S147-A151 PolarHBondContact O-N 3.38Å
148	C	98.8	Very high	98.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.3	-36.8	177.8	-63.7	0	0	0	0	111.6	L144 G145 A151 A152 L171 A179 I180	L144-C148 WeakPolarHBondContact O-CB 3.21Å; L144-C148 PolarHBondContact O-SG 2.83Å; G145-C148 PolarHBondContact O-N 2.91Å; G145-C148 VanDerWaalsContact O-N 3.16Å; C148-A151 PolarHBondContact O-N 3.25Å; C148-A152 WeakPolarHBondContact O-CB 3.45Å; C148-A152 PolarHBondContact O-N 2.92Å; C148-L171 HydrophobicContact CB-CB 4.15Å; C148-L171 HydrophobicContact CB-CD1 4.31Å; C148-L171 HydrophobicContact CB-CG 4.03Å; C148-A179 HydrophobicContact CB-CB 4.27Å; C148-I180 HydrophobicContact CB-CD1 3.85Å
149	L	98.9	Very high	98.1	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-57.2	-52.8	172.7	176.1	72.2	0	0	0	110.5	T113 G145 R146 S147 A151 A152 C153 I180 Q185 Y188 L189	T113-L149 HydrophobicContact CG2-CD2 3.89Å; G145-L149 PolarHBondContact O-N 3.47Å; R146-L149 WeakPolarHBondContact O-CB 3.37Å; R146-L149 PolarHBondContact O-N 3.12Å; S147-L149 VanDerWaalsContact C-N 3.34Å; L149-A151 PolarHBondContact O-N 2.7Å; L149-A152 PolarHBondContact O-N 2.78Å; L149-C153 PolarHBondContact O-N 3.19Å; L149-C153 PolarHBondContact O-SG 3.48Å; L149-I180 HydrophobicContact CB-CD1 4.32Å; L149-Q185 HydrophobicContact CD1-CB 4.02Å; L149-Q185 HydrophobicContact CD1-CG 4.42Å; L149-Q185 HydrophobicContact CD2-CG 4.19Å; L149-Y188 HydrophobicContact CD1-CD1 4.05Å; L149-L189 HydrophobicContact CD1-CD1 4.3Å; L149-L189 HydrophobicContact CD1-CD2 3.82Å; L149-L189 HydrophobicContact CD1-CG 3.73Å
150	V	98.9	Very high	97.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.7	-42.8	-178.8	172.7	0	0	0	0	111.4	F78 I108 I122 M123 L126 I138 R146 S147 A152 C153 L154	F78-V150 HydrophobicContact CD1-CG2 4.49Å; F78-V150 HydrophobicContact CD2-CG2 4.4Å; F78-V150 HydrophobicContact CE1-CG1 4.29Å; F78-V150 HydrophobicContact CE1-CG2 4.08Å; F78-V150 HydrophobicContact CE2-CB 3.99Å; F78-V150 HydrophobicContact CE2-CG1 4.23Å; F78-V150 HydrophobicContact CE2-CG2 3.98Å; F78-V150 HydrophobicContact CZ-CB 3.88Å; F78-V150 HydrophobicContact CZ-CG1 3.65Å; F78-V150 HydrophobicContact CZ-CG2 3.83Å; I108-V150 HydrophobicContact CD1-CG2 3.84Å; I122-V150 HydrophobicContact CG2-CG1 3.63Å; M123-V150 HydrophobicContact CE-CG1 3.8Å; L126-V150 HydrophobicContact CD1-CG1 3.87Å; I138-V150 HydrophobicContact CD1-CB 4.5Å; I138-V150 HydrophobicContact CD1-CG1 4.45Å; R146-V150 WeakPolarHBondContact O-CG2 3.21Å; R146-V150 PolarHBondContact O-N 3.46Å; S147-V150 PolarHBondContact O-N 3.25Å; V150-A152 VanDerWaalsContact C-N 3.35Å; V150-A152 PolarHBondContact O-N 2.77Å; V150-C153 WeakPolarHBondContact O-CB 3.44Å; V150-C153 PolarHBondContact O-N 3.44Å; V150-L154 PolarHBondContact O-N 3Å
151	A	98.8	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-39.1	175.7	0	0	0	0	0	112.6	L32 L43 L45 I138 S147 C148 L149 L154 L155 L171	L32-A151 HydrophobicContact CD2-CB 4.02Å; L43-A151 HydrophobicContact CD2-CB 4.25Å; L45-A151 HydrophobicContact CD1-CB 4.44Å; L45-A151 HydrophobicContact CD2-CB 4.32Å; I138-A151 HydrophobicContact CD1-CB 3.98Å; S147-A151 WeakPolarHBondContact O-CB 3.45Å; S147-A151 PolarHBondContact O-N 3.38Å; C148-A151 PolarHBondContact O-N 3.25Å; L149-A151 PolarHBondContact O-N 2.7Å; A151-L154 WeakPolarHBondContact O-CB 3.27Å; A151-L154 PolarHBondContact O-N 3.36Å; A151-L155 WeakPolarHBondContact O-CG 3.47Å; A151-L155 PolarHBondContact O-N 3.32Å; A151-L171 HydrophobicContact CB-CD1 3.8Å; A151-L171 HydrophobicContact CB-CD2 4.45Å; A151-L171 HydrophobicContact CB-CG 4.39Å
152	A	98.8	Very high	97.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66	-42.2	174.7	0	0	0	0	0	111.5	C148 L149 V150 L154 L155 L156 A167 L171 L189	C148-A152 WeakPolarHBondContact O-CB 3.45Å; C148-A152 PolarHBondContact O-N 2.92Å; L149-A152 PolarHBondContact O-N 2.78Å; V150-A152 VanDerWaalsContact C-N 3.35Å; V150-A152 PolarHBondContact O-N 2.77Å; A152-L154 VanDerWaalsContact C-N 3.27Å; A152-L154 PolarHBondContact O-N 3.33Å; A152-L155 PolarHBondContact O-N 2.86Å; A152-L156 WeakPolarHBondContact O-CG 3.45Å; A152-L156 PolarHBondContact O-N 3Å; A152-A167 HydrophobicContact CB-CB 4.22Å; A152-L171 HydrophobicContact CB-CD2 3.81Å; A152-L171 HydrophobicContact CB-CG 4.44Å; A152-L189 HydrophobicContact CB-CD1 3.78Å; A152-L189 HydrophobicContact CB-CD2 3.58Å; A152-L189 HydrophobicContact CB-CG 4.36Å
153	C	98.8	Very high	97.9	Very high	1 Å²	1	24 Å²	24	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-57	-42	171.1	-69.1	0	0	0	0	111.2	M123 L149 V150 L155 L156 Y157 F192	M123-C153 HydrophobicContact CE-CB 4.08Å; M123-C153 HydrophobicContact SD-CB 3.9Å; L149-C153 PolarHBondContact O-N 3.19Å; L149-C153 PolarHBondContact O-SG 3.48Å; V150-C153 WeakPolarHBondContact O-CB 3.44Å; V150-C153 PolarHBondContact O-N 3.44Å; C153-L155 PolarHBondContact O-N 3.45Å; C153-L156 CarbonylContact O-C 3.32Å; C153-L156 PolarHBondContact O-N 3.31Å; C153-Y157 WeakPolarHBondContact O-CB 3.48Å; C153-Y157 PolarHBondContact O-N 3.48Å; C153-F192 HydrophobicContact CB-CD2 4.4Å; C153-F192 HydrophobicContact CB-CE1 4.26Å; C153-F192 HydrophobicContact CB-CE2 4.1Å; C153-F192 HydrophobicContact CB-CZ 4.02Å; C153-F192 WeakPolarHBondContact O-CE1 3.42Å
154	L	98.8	Very high	98	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-41.2	178.2	-175.8	68.7	0	0	0	112	L43 M123 L126 L130 V150 A151 A152 L156 Y157 L158	L43-L154 HydrophobicContact CD2-CD2 3.77Å; M123-L154 HydrophobicContact CE-CB 4.44Å; M123-L154 VanDerWaalsContact SD-CA 3.5Å; M123-L154 HydrophobicContact SD-CB 4Å; M123-L154 HydrophobicContact SD-CD1 4.14Å; M123-L154 PolarHBondContact SD-N 3.37Å; M123-L154 VanDerWaalsContact SD-N 3.44Å; L126-L154 HydrophobicContact CB-CD1 4.07Å; L126-L154 HydrophobicContact CB-CD2 4.49Å; L126-L154 HydrophobicContact CD1-CD1 4.48Å; L126-L154 HydrophobicContact CD1-CD2 4.34Å; L130-L154 HydrophobicContact CD1-CD2 4.08Å; V150-L154 PolarHBondContact O-N 3Å; A151-L154 WeakPolarHBondContact O-CB 3.27Å; A151-L154 PolarHBondContact O-N 3.36Å; A152-L154 VanDerWaalsContact C-N 3.27Å; A152-L154 PolarHBondContact O-N 3.33Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.37Å; L154-Y157 PolarHBondContact O-N 3.27Å; L154-L158 HydrophobicContact CD1-CD1 4Å; L154-L158 HydrophobicContact CD1-CG 4.04Å; L154-L158 HydrophobicContact CD2-CD1 4.41Å; L154-L158 HydrophobicContact CG-CD1 3.85Å; L154-L158 HydrophobicContact CG-CG 4.25Å; L154-L158 WeakPolarHBondContact O-CB 3.33Å; L154-L158 VanDerWaalsContact O-CG 3.27Å; L154-L158 WeakPolarHBondContact O-CG 3.37Å; L154-L158 PolarHBondContact O-N 2.93Å
155	L	98.8	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.1	-45	174.1	-65.5	176.4	0	0	0	111.3	L32 L34 V37 A151 A152 C153 Y157 L158 S159 I162 A167 L171	L32-L155 HydrophobicContact CD2-CD1 4.4Å; L32-L155 HydrophobicContact CD2-CD2 4.43Å; L32-L155 HydrophobicContact CD2-CG 4.46Å; L34-L155 HydrophobicContact CD2-CD2 3.78Å; V37-L155 HydrophobicContact CG1-CB 4.24Å; V37-L155 HydrophobicContact CG1-CD2 3.88Å; V37-L155 WeakPolarHBondContact CG1-O 3.42Å; V37-L155 HydrophobicContact CG2-CD2 3.99Å; A151-L155 WeakPolarHBondContact O-CG 3.47Å; A151-L155 PolarHBondContact O-N 3.32Å; A152-L155 PolarHBondContact O-N 2.86Å; C153-L155 PolarHBondContact O-N 3.45Å; L155-Y157 VanDerWaalsContact C-N 3.29Å; L155-Y157 PolarHBondContact O-N 3.49Å; L155-L158 PolarHBondContact O-N 3.22Å; L155-S159 PolarHBondContact O-N 3.06Å; L155-I162 HydrophobicContact CB-CD1 4.22Å; L155-I162 HydrophobicContact CD1-CD1 4.46Å; L155-I162 WeakPolarHBondContact O-CG2 3.11Å; L155-A167 HydrophobicContact CB-CB 4.2Å; L155-A167 HydrophobicContact CD1-CB 4.14Å; L155-L171 HydrophobicContact CD1-CD2 3.87Å
156	L	98.6	Very high	98.2	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-29.4	177.6	-63.8	169.1	0	0	0	113	A152 C153 L154 I162 P164 A167 L189 F192 R193	A152-L156 WeakPolarHBondContact O-CG 3.45Å; A152-L156 PolarHBondContact O-N 3Å; C153-L156 CarbonylContact O-C 3.32Å; C153-L156 PolarHBondContact O-N 3.31Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 3.37Å; L156-I162 HydrophobicContact CD2-CG2 4.05Å; L156-P164 HydrophobicContact CD2-CG 4.29Å; L156-A167 HydrophobicContact CD2-CB 4.24Å; L156-A167 HydrophobicContact CG-CB 4.16Å; L156-L189 HydrophobicContact CD1-CB 4.33Å; L156-L189 HydrophobicContact CD1-CD2 3.98Å; L156-F192 HydrophobicContact CB-CD1 3.83Å; L156-F192 HydrophobicContact CB-CE1 4.04Å; L156-F192 HydrophobicContact CD1-CD1 4.16Å; L156-R193 PolarHBondContact O-NE 3.22Å; L156-R193 PolarHBondContact O-NH2 3.26Å
157	Y	98.5	Very high	98.2	Very high	71 Å²	71	30.2 Å²	30.2	28%	0.278	16%	0.16	S	C	.	.	H	α-helix	trans	-76.4	-37.5	179	-175.5	-94.4	0	0	0	112	M123 T127 C153 L154 L155 F192 L196	M123-Y157 HydrophobicContact CB-CD1 3.98Å; M123-Y157 HydrophobicContact CB-CD2 3.71Å; M123-Y157 HydrophobicContact CB-CE1 4.03Å; M123-Y157 HydrophobicContact CB-CE2 3.76Å; M123-Y157 HydrophobicContact CB-CG 3.83Å; M123-Y157 HydrophobicContact CG-CD1 4.5Å; M123-Y157 HydrophobicContact CG-CD2 3.77Å; M123-Y157 HydrophobicContact CG-CE2 4.26Å; M123-Y157 HydrophobicContact CG-CG 3.91Å; M123-Y157 HydrophobicContact SD-CG 4.21Å; T127-Y157 WeakPolarHBondContact OG1-CE1 3.39Å; C153-Y157 WeakPolarHBondContact O-CB 3.48Å; C153-Y157 PolarHBondContact O-N 3.48Å; L154-Y157 PolarHBondContact O-N 3.27Å; L155-Y157 VanDerWaalsContact C-N 3.29Å; L155-Y157 PolarHBondContact O-N 3.49Å; Y157-F192 HydrophobicContact CD2-CZ 4.22Å; Y157-L196 HydrophobicContact CD2-CD2 3.55Å; Y157-L196 HydrophobicContact CE2-CD2 3.77Å
158	L	97.9	Very high	98.2	Very high	55 Å²	55	30.2 Å²	30.2	29%	0.288	16%	0.161	S	C	.	.	H	α-helix	trans	-83.4	-12.9	-178.8	-67.3	176.9	0	0	0	113.6	V37 T127 L130 L154 L155	V37-L158 HydrophobicContact CB-CB 3.99Å; V37-L158 HydrophobicContact CG2-CB 3.95Å; V37-L158 HydrophobicContact CG2-CD1 3.94Å; T127-L158 HydrophobicContact CG2-CD2 4.37Å; L130-L158 HydrophobicContact CD1-CD1 4.1Å; L154-L158 HydrophobicContact CD1-CD1 4Å; L154-L158 HydrophobicContact CD1-CG 4.04Å; L154-L158 HydrophobicContact CD2-CD1 4.41Å; L154-L158 HydrophobicContact CG-CD1 3.85Å; L154-L158 HydrophobicContact CG-CG 4.25Å; L154-L158 WeakPolarHBondContact O-CB 3.33Å; L154-L158 VanDerWaalsContact O-CG 3.27Å; L154-L158 WeakPolarHBondContact O-CG 3.37Å; L154-L158 PolarHBondContact O-N 2.93Å; L155-L158 PolarHBondContact O-N 3.22Å
159	S	97.1	Very high	98.1	Very high	11 Å²	11	33.7 Å²	33.7	8%	0.077	18%	0.179	C	C	.	.			trans	-145.1	130	-177.9	175.2	0	0	0	0	111.3	L155 T161 I162 R193	L155-S159 PolarHBondContact O-N 3.06Å; S159-T161 VanDerWaalsContact C-N 3.3Å; S159-T161 PolarHBondContact OG-N 3.47Å; S159-T161 PolarHBondContact OG-OG1 3.48Å; S159-I162 PolarHBondContact OG-N 2.93Å; S159-R193 PolarHBondContact O-NH2 3.37Å
160	D	94.1	Very high	98.1	Very high	145 Å²	145	34.3 Å²	34.3	78%	0.775	18%	0.184	S	C	*	.	S	Bend	trans	-80.9	-11.9	173.2	-61.4	-38.8	0	0	0	112.9
161	T	96.5	Very high	98.1	Very high	124 Å²	124	34.3 Å²	34.3	76%	0.761	18%	0.184	S	C	*	.	S	Bend	trans	-95.8	-21.8	-173.4	61.4	0	0	0	0	113.6	S159	S159-T161 VanDerWaalsContact C-N 3.3Å; S159-T161 PolarHBondContact OG-N 3.47Å; S159-T161 PolarHBondContact OG-OG1 3.48Å
162	I	97.4	Very high	98.1	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	20%	0.201	C	C	.	.	S	Bend	trans	-76.3	132	179.2	-164.7	170.5	0	0	0	110.3	V37 L155 L156 S159 Q166 A167 R193	V37-I162 HydrophobicContact CG1-CD1 4.34Å; V37-I162 HydrophobicContact CG1-CG2 4.43Å; L155-I162 HydrophobicContact CB-CD1 4.22Å; L155-I162 HydrophobicContact CD1-CD1 4.46Å; L155-I162 WeakPolarHBondContact O-CG2 3.11Å; L156-I162 HydrophobicContact CD2-CG2 4.05Å; S159-I162 PolarHBondContact OG-N 2.93Å; I162-Q166 HydrophobicContact CD1-CB 4.28Å; I162-Q166 HydrophobicContact CG1-CB 3.64Å; I162-A167 HydrophobicContact CD1-CB 4.43Å; I162-R193 VanDerWaalsContact O-CZ 3.26Å; I162-R193 PolarHBondContact O-NH1 3.18Å; I162-R193 PolarHBondContact O-NH2 3.35Å
163	S	98.4	Very high	98	Very high	34 Å²	34	45.5 Å²	45.5	24%	0.238	24%	0.236	C	C	.	.			trans	-80.6	158	175.1	90.3	0	0	0	0	111.6	E165 Q166 A167	S163-E165 VanDerWaalsContact CB-OE2 3.27Å; S163-E165 WeakPolarHBondContact CB-OE2 3.4Å; S163-E165 PolarHBondContact O-N 3.42Å; S163-E165 PolarHBondContact OG-N 3.17Å; S163-E165 PolarHBondContact OG-OE2 2.81Å; S163-Q166 PolarHBondContact O-N 2.82Å; S163-Q166 PolarHBondContact OG-N 2.89Å; S163-A167 PolarHBondContact O-N 3.08Å
164	P	98.5	Very high	98	Very high	20 Å²	20	47.6 Å²	47.6	13%	0.13	25%	0.247	C	C	.	.	H	α-helix	trans	-51.4	-41.5	170.5	-27.8	36.7	0	0	0	113	L156 A167 I168 L189	L156-P164 HydrophobicContact CD2-CG 4.29Å; P164-A167 PolarHBondContact O-N 3Å; P164-I168 WeakPolarHBondContact O-CD1 3.46Å; P164-I168 WeakPolarHBondContact O-CG1 3.36Å; P164-I168 PolarHBondContact O-N 3.48Å; P164-L189 HydrophobicContact CB-CB 4.48Å
165	E	98.4	Very high	97.9	Very high	83 Å²	83	50.4 Å²	50.4	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-45.9	177.6	-58.8	79	-176.1	0	0	111.4	S163 A167 I168 D169 H190	S163-E165 VanDerWaalsContact CB-OE2 3.27Å; S163-E165 WeakPolarHBondContact CB-OE2 3.4Å; S163-E165 PolarHBondContact O-N 3.42Å; S163-E165 PolarHBondContact OG-N 3.17Å; S163-E165 PolarHBondContact OG-OE2 2.81Å; E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 3.15Å; E165-I168 PolarHBondContact O-N 3.46Å; E165-D169 WeakPolarHBondContact O-CB 3.41Å; E165-D169 VanDerWaalsContact O-CG 3.29Å; E165-D169 PolarHBondContact O-N 3.39Å; E165-H190 IonicContact OE1-CD2 2.72Å; E165-H190 IonicContact OE1-NE2 3.47Å; E165-H190 PolarHBondContact OE1-NE2 2.88Å; E165-H190 VanDerWaalsContact OE1-NE2 3.11Å
166	Q	98.4	Very high	97.8	Very high	81 Å²	81	52.1 Å²	52.1	38%	0.379	28%	0.275	S	S	.	.	H	α-helix	trans	-62.8	-36.6	177.5	-69.9	177.6	-39.2	0	0	112.6	R36 I162 S163 S170	R36-Q166 PolarHBondContact NH1-O 2.87Å; I162-Q166 HydrophobicContact CD1-CB 4.28Å; I162-Q166 HydrophobicContact CG1-CB 3.64Å; S163-Q166 PolarHBondContact O-N 2.82Å; S163-Q166 PolarHBondContact OG-N 2.89Å; Q166-S170 WeakPolarHBondContact O-CB 3.37Å; Q166-S170 PolarHBondContact O-N 2.6Å; Q166-S170 VanDerWaalsContact O-N 3.07Å
167	A	98.5	Very high	97.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66.4	-46.5	174	0	0	0	0	0	110.8	A152 L155 L156 I162 S163 P164 E165 D169 S170 L171	A152-A167 HydrophobicContact CB-CB 4.22Å; L155-A167 HydrophobicContact CB-CB 4.2Å; L155-A167 HydrophobicContact CD1-CB 4.14Å; L156-A167 HydrophobicContact CD2-CB 4.24Å; L156-A167 HydrophobicContact CG-CB 4.16Å; I162-A167 HydrophobicContact CD1-CB 4.43Å; S163-A167 PolarHBondContact O-N 3.08Å; P164-A167 PolarHBondContact O-N 3Å; E165-A167 VanDerWaalsContact C-N 3.29Å; E165-A167 PolarHBondContact O-N 3.15Å; A167-D169 VanDerWaalsContact C-N 3.35Å; A167-D169 PolarHBondContact O-N 3.02Å; A167-S170 VanDerWaalsContact O-CB 3.31Å; A167-S170 WeakPolarHBondContact O-CB 3.4Å; A167-S170 PolarHBondContact O-N 3.29Å; A167-L171 WeakPolarHBondContact O-CD2 3.35Å; A167-L171 PolarHBondContact O-N 3.21Å; A167-L171 VanDerWaalsContact O-N 3.16Å
168	I	98.6	Very high	97.5	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-57.9	-47.1	176.6	-68.5	163.3	0	0	0	110.9	P164 E165 S170 L171 R172 I180 Y186 L189	P164-I168 WeakPolarHBondContact O-CD1 3.46Å; P164-I168 WeakPolarHBondContact O-CG1 3.36Å; P164-I168 PolarHBondContact O-N 3.48Å; E165-I168 PolarHBondContact O-N 3.46Å; I168-S170 VanDerWaalsContact C-N 3.32Å; I168-S170 PolarHBondContact O-N 3.47Å; I168-L171 PolarHBondContact O-N 3.33Å; I168-R172 HydrophobicContact CG2-CG 4.39Å; I168-R172 WeakPolarHBondContact O-CG 3.07Å; I168-R172 PolarHBondContact O-N 2.87Å; I168-I180 HydrophobicContact CG1-CG1 4.26Å; I168-I180 HydrophobicContact CG2-CG1 4.32Å; I168-Y186 HydrophobicContact CD1-CD2 3.62Å; I168-Y186 HydrophobicContact CD1-CE2 3.66Å; I168-L189 HydrophobicContact CD1-CD1 3.98Å; I168-L189 HydrophobicContact CG1-CD1 3.55Å
169	D	98.4	Very high	97.4	Very high	73 Å²	73	53.2 Å²	53.2	39%	0.39	30%	0.304	S	S	.	.	H	α-helix	trans	-62.3	-40.9	179.3	-69.5	-19.8	0	0	0	111.1	E165 A167 L171 R172 D173	E165-D169 WeakPolarHBondContact O-CB 3.41Å; E165-D169 VanDerWaalsContact O-CG 3.29Å; E165-D169 PolarHBondContact O-N 3.39Å; A167-D169 VanDerWaalsContact C-N 3.35Å; A167-D169 PolarHBondContact O-N 3.02Å; D169-L171 PolarHBondContact O-N 3.4Å; D169-R172 PolarHBondContact O-N 3.43Å; D169-R172 VanDerWaalsContact O-N 3.08Å; D169-R172 IonicContact OD1-NH1 3.67Å; D169-D173 VanDerWaalsContact O-CG 3.31Å; D169-D173 PolarHBondContact O-N 2.62Å
170	S	98.3	Very high	97.5	Very high	14 Å²	14	53.5 Å²	53.5	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-55.7	-37.3	172.4	-105.8	0	0	0	0	113.3	R36 Q166 A167 I168 L174	R36-S170 PolarHBondContact NH1-OG 3.47Å; Q166-S170 WeakPolarHBondContact O-CB 3.37Å; Q166-S170 PolarHBondContact O-N 2.6Å; Q166-S170 VanDerWaalsContact O-N 3.07Å; A167-S170 VanDerWaalsContact O-CB 3.31Å; A167-S170 WeakPolarHBondContact O-CB 3.4Å; A167-S170 PolarHBondContact O-N 3.29Å; I168-S170 VanDerWaalsContact C-N 3.32Å; I168-S170 PolarHBondContact O-N 3.47Å; S170-L174 PolarHBondContact O-N 3.05Å
171	L	98.4	Very high	97.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-79.9	-30.4	177.7	-81.3	-51.2	0	0	0	112.6	L32 L45 C148 A151 A152 L155 A167 I168 D169 L174 R175 A179	L32-L171 HydrophobicContact CD2-CD1 4.15Å; L45-L171 HydrophobicContact CD2-CD1 4.12Å; C148-L171 HydrophobicContact CB-CB 4.15Å; C148-L171 HydrophobicContact CB-CD1 4.31Å; C148-L171 HydrophobicContact CB-CG 4.03Å; A151-L171 HydrophobicContact CB-CD1 3.8Å; A151-L171 HydrophobicContact CB-CD2 4.45Å; A151-L171 HydrophobicContact CB-CG 4.39Å; A152-L171 HydrophobicContact CB-CD2 3.81Å; A152-L171 HydrophobicContact CB-CG 4.44Å; L155-L171 HydrophobicContact CD1-CD2 3.87Å; A167-L171 WeakPolarHBondContact O-CD2 3.35Å; A167-L171 PolarHBondContact O-N 3.21Å; A167-L171 VanDerWaalsContact O-N 3.16Å; I168-L171 PolarHBondContact O-N 3.33Å; D169-L171 PolarHBondContact O-N 3.4Å; L171-L174 HydrophobicContact CD1-CD2 4.38Å; L171-L174 PolarHBondContact O-N 3.35Å; L171-R175 WeakPolarHBondContact O-CB 3.31Å; L171-R175 PolarHBondContact O-N 3.43Å; L171-A179 HydrophobicContact CB-CB 4.17Å; L171-A179 WeakPolarHBondContact O-CB 3.34Å
172	R	98.3	Very high	97.7	Very high	96 Å²	96	48 Å²	48	36%	0.362	27%	0.268	S	S	.	.	H	α-helix	trans	-69.5	-37.2	173.2	-73	174.9	174.3	161	-2.5	112.3	I168 D169 L174 G176 A179	I168-R172 HydrophobicContact CG2-CG 4.39Å; I168-R172 WeakPolarHBondContact O-CG 3.07Å; I168-R172 PolarHBondContact O-N 2.87Å; D169-R172 PolarHBondContact O-N 3.43Å; D169-R172 VanDerWaalsContact O-N 3.08Å; D169-R172 IonicContact OD1-NH1 3.67Å; R172-L174 VanDerWaalsContact C-N 3.26Å; R172-L174 PolarHBondContact O-N 3.47Å; R172-G176 WeakPolarHBondContact CA-O 3.49Å; R172-G176 CarbonylContact O-C 3.58Å; R172-G176 VanDerWaalsContact O-C 3.27Å; R172-G176 WeakPolarHBondContact O-CA 3.3Å; R172-G176 PolarHBondContact O-N 2.89Å; R172-A179 HydrophobicContact CG-CB 3.99Å
173	D	97.9	Very high	97.7	Very high	139 Å²	139	54 Å²	54	74%	0.743	30%	0.299	S	S	*	.	H	α-helix	trans	-62.8	-37.8	173.1	-69.4	-19.2	0	0	0	111	D169	D169-D173 VanDerWaalsContact O-CG 3.31Å; D169-D173 PolarHBondContact O-N 2.62Å
174	L	97.8	Very high	97.7	Very high	44 Å²	44	59.7 Å²	59.7	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-78.9	-40.7	-178.4	-173	70.5	0	0	0	113.8	L32 L45 S170 L171 R172	L32-L174 HydrophobicContact CB-CD2 3.66Å; L32-L174 HydrophobicContact CD1-CD2 4.08Å; L32-L174 HydrophobicContact CG-CD2 4.39Å; L45-L174 HydrophobicContact CD1-CD2 4.09Å; L45-L174 HydrophobicContact CD2-CD2 4.41Å; S170-L174 PolarHBondContact O-N 3.05Å; L171-L174 HydrophobicContact CD1-CD2 4.38Å; L171-L174 PolarHBondContact O-N 3.35Å; R172-L174 VanDerWaalsContact C-N 3.26Å; R172-L174 PolarHBondContact O-N 3.47Å
175	R	97.2	Very high	97.7	Very high	59 Å²	59	58.8 Å²	58.8	22%	0.223	31%	0.314	C	S	.	.	H	α-helix	trans	-123.3	6.8	-167.5	-61.7	-63.1	-66.7	164.6	3.6	113.9	S30 L45 G142 G143 L144 L171 A179	S30-R175 PolarHBondContact OG-NH1 3.18Å; L45-R175 HydrophobicContact CD2-CG 4.32Å; G142-R175 PolarHBondContact O-NH2 3.15Å; G143-R175 PolarHBondContact O-NE 2.94Å; G143-R175 PolarHBondContact O-NH2 2.91Å; L144-R175 HydrophobicContact CD2-CB 3.99Å; L144-R175 WeakPolarHBondContact CD2-O 3.1Å; L171-R175 WeakPolarHBondContact O-CB 3.31Å; L171-R175 PolarHBondContact O-N 3.43Å; R175-A179 HydrophobicContact CB-CB 4.37Å
176	G	97.2	Very high	97.7	Very high	36 Å²	36	59.1 Å²	59.1	37%	0.371	31%	0.312	S	S	.	.			trans	85.5	171.8	-179	0	0	0	0	0	113.7	R172 G178 A179	R172-G176 WeakPolarHBondContact CA-O 3.49Å; R172-G176 CarbonylContact O-C 3.58Å; R172-G176 VanDerWaalsContact O-C 3.27Å; R172-G176 WeakPolarHBondContact O-CA 3.3Å; R172-G176 PolarHBondContact O-N 2.89Å; G176-G178 PolarHBondContact O-N 2.95Å; G176-A179 WeakPolarHBondContact O-CB 3.33Å; G176-A179 PolarHBondContact O-N 3.39Å
177	S	96.1	Very high	97.7	Very high	113 Å²	113	58.7 Å²	58.7	79%	0.79	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.3	-176.9	57.1	0	0	0	0	114.7	A179	S177-A179 VanDerWaalsContact C-N 3.27Å; S177-A179 PolarHBondContact O-N 3.35Å
178	G	93.5	Very high	97.7	Very high	38 Å²	38	59.1 Å²	59.1	39%	0.392	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.2	174.6	0	0	0	0	0	115.2	G176 Q181	G176-G178 PolarHBondContact O-N 2.95Å; G178-Q181 WeakPolarHBondContact O-CG 3.37Å
179	A	97.1	Very high	97.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-65.8	137.3	171.3	0	0	0	0	0	110.9	L144 C148 L171 R172 R175 G176 S177	L144-A179 WeakPolarHBondContact O-CA 3.35Å; C148-A179 HydrophobicContact CB-CB 4.27Å; L171-A179 HydrophobicContact CB-CB 4.17Å; L171-A179 WeakPolarHBondContact O-CB 3.34Å; R172-A179 HydrophobicContact CG-CB 3.99Å; R175-A179 HydrophobicContact CB-CB 4.37Å; G176-A179 WeakPolarHBondContact O-CB 3.33Å; G176-A179 PolarHBondContact O-N 3.39Å; S177-A179 VanDerWaalsContact C-N 3.27Å; S177-A179 PolarHBondContact O-N 3.35Å
180	I	97.9	Very high	97.8	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.092	31%	0.309	C	S	.	.	S	Bend	trans	63.2	92.8	-170.5	-49.5	-56.2	0	0	0	110.4	L144 C148 L149 I168 Q185 L189	L144-I180 PolarHBondContact O-N 3.32Å; L144-I180 VanDerWaalsContact O-N 3.11Å; C148-I180 HydrophobicContact CB-CD1 3.85Å; L149-I180 HydrophobicContact CB-CD1 4.32Å; I168-I180 HydrophobicContact CG1-CG1 4.26Å; I168-I180 HydrophobicContact CG2-CG1 4.32Å; I180-Q185 HydrophobicContact CG2-CB 3.84Å; I180-L189 HydrophobicContact CD1-CD1 3.9Å; I180-L189 HydrophobicContact CG1-CD1 4.18Å
181	Q	96.8	Very high	97.8	Very high	110 Å²	110	62 Å²	62	51%	0.514	32%	0.323	S	S	.	.			trans	-90.7	-22.9	-162.3	-67.1	-176.2	-69	0	0	114	L144 G145 G178	L144-Q181 HydrophobicContact CB-CG 4.35Å; G145-Q181 VanDerWaalsContact CA-OE1 3.24Å; G145-Q181 VanDerWaalsContact N-OE1 3.17Å; G178-Q181 WeakPolarHBondContact O-CG 3.37Å
182	T	98.2	Very high	97.8	Very high	42 Å²	42	62 Å²	62	26%	0.258	32%	0.323	S	S	.	.	S	Bend	trans	-127	151.5	-174.2	74.7	0	0	0	0	112	G111 K184 Q185 Y186	G111-T182 WeakPolarHBondContact O-CG2 3.3Å; G111-T182 PolarHBondContact O-OG1 2.99Å; T182-K184 PolarHBondContact O-N 3.26Å; T182-Q185 WeakPolarHBondContact O-CB 3.36Å; T182-Q185 PolarHBondContact O-N 3.48Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.47Å; T182-Q185 PolarHBondContact OG1-N 2.85Å; T182-Y186 PolarHBondContact O-N 3.2Å
183	I	98.1	Very high	97.8	Very high	133 Å²	133	60.8 Å²	60.8	68%	0.682	32%	0.319	S	S	*	.	H	α-helix	trans	-57.2	-34.5	173.2	-60.2	172.7	0	0	0	110.4	Q185 Y186 N187	I183-Q185 VanDerWaalsContact C-N 3.35Å; I183-Q185 PolarHBondContact O-N 3.16Å; I183-Y186 PolarHBondContact O-N 2.67Å; I183-N187 WeakPolarHBondContact O-CB 3.22Å; I183-N187 VanDerWaalsContact O-CG 3.26Å; I183-N187 PolarHBondContact O-N 3.06Å; I183-N187 PolarHBondContact O-OD1 2.88Å
184	K	98.3	Very high	97.8	Very high	154 Å²	154	60 Å²	60	67%	0.67	32%	0.315	S	S	*	.	H	α-helix	trans	-59.4	-44.2	175.4	-65.9	-177.6	178.4	-178.9	0	111.9	T182 Y188	T182-K184 PolarHBondContact O-N 3.26Å; K184-Y188 VanDerWaalsContact O-CB 3.3Å; K184-Y188 WeakPolarHBondContact O-CB 3.18Å; K184-Y188 PolarHBondContact O-N 2.84Å
185	Q	98.6	Very high	97.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-67.4	-41.4	177.2	-67.3	171.1	-13.8	0	0	111.7	G112 T113 L149 I180 T182 I183 Y188 L189	G112-Q185 PolarHBondContact O-NE2 3.5Å; T113-Q185 HydrophobicContact CG2-CG 4.07Å; L149-Q185 HydrophobicContact CD1-CB 4.02Å; L149-Q185 HydrophobicContact CD1-CG 4.42Å; L149-Q185 HydrophobicContact CD2-CG 4.19Å; I180-Q185 HydrophobicContact CG2-CB 3.84Å; T182-Q185 WeakPolarHBondContact O-CB 3.36Å; T182-Q185 PolarHBondContact O-N 3.48Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.47Å; T182-Q185 PolarHBondContact OG1-N 2.85Å; I183-Q185 VanDerWaalsContact C-N 3.35Å; I183-Q185 PolarHBondContact O-N 3.16Å; Q185-Y188 WeakPolarHBondContact O-CB 3.33Å; Q185-Y188 PolarHBondContact O-N 3.17Å; Q185-L189 PolarHBondContact O-N 3.12Å
186	Y	98.6	Very high	97.8	Very high	91 Å²	91	59.4 Å²	59.4	36%	0.357	31%	0.312	S	S	.	.	H	α-helix	trans	-59.3	-51.7	175.6	-179	-92	0	0	0	111.7	I168 T182 I183 Y188 L189 H190	I168-Y186 HydrophobicContact CD1-CD2 3.62Å; I168-Y186 HydrophobicContact CD1-CE2 3.66Å; T182-Y186 PolarHBondContact O-N 3.2Å; I183-Y186 PolarHBondContact O-N 2.67Å; Y186-Y188 VanDerWaalsContact C-N 3.29Å; Y186-Y188 PolarHBondContact O-N 2.92Å; Y186-L189 PolarHBondContact O-N 3.02Å; Y186-H190 AromaticContact CD1-CE1 3.94Å; Y186-H190 AromaticContact CD1-ND1 3.95Å; Y186-H190 AromaticContact CD2-CE1 3.89Å; Y186-H190 AromaticContact CE1-CE1 3.45Å; Y186-H190 VanDerWaalsContact CE1-CE1 3.45Å; Y186-H190 WeakPolarHBondContact CE1-CE1 3.07Å; Y186-H190 AromaticContact CE1-ND1 3.78Å; Y186-H190 AromaticContact CE1-NE2 3.99Å; Y186-H190 AromaticContact CE2-CE1 3.38Å; Y186-H190 WeakPolarHBondContact CE2-CE1 3.49Å; Y186-H190 AromaticContact CZ-CE1 3.13Å; Y186-H190 AromaticContact CZ-ND1 3.92Å; Y186-H190 AromaticContact CZ-NE2 3.57Å; Y186-H190 PolarHBondContact O-N 3.38Å; Y186-H190 PolarHBondContact O-ND1 2.69Å; Y186-H190 PolarHBondContact OH-CE1 3.44Å; Y186-H190 PolarHBondContact OH-NE2 3.01Å
187	N	98.6	Very high	97.8	Very high	71 Å²	71	60.1 Å²	60.1	38%	0.38	32%	0.315	S	S	.	.	H	α-helix	trans	-61.4	-39.6	178.2	-66.9	-0.5	0	0	0	111.5	I183 L189 H190 E191	I183-N187 WeakPolarHBondContact O-CB 3.22Å; I183-N187 VanDerWaalsContact O-CG 3.26Å; I183-N187 PolarHBondContact O-N 3.06Å; I183-N187 PolarHBondContact O-OD1 2.88Å; N187-L189 VanDerWaalsContact C-N 3.3Å; N187-L189 PolarHBondContact O-N 2.81Å; N187-H190 PolarHBondContact O-N 3.38Å; N187-H190 VanDerWaalsContact O-N 3.14Å; N187-E191 WeakPolarHBondContact O-CG 3.48Å; N187-E191 PolarHBondContact O-N 3.14Å
188	Y	98.8	Very high	97.8	Very high	10 Å²	10	57.7 Å²	57.7	4%	0.039	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-41.7	177.8	-169.2	-83.2	0	0	0	112.5	T113 P114 C119 L149 K184 Q185 Y186 H190 E191 F192	T113-Y188 VanDerWaalsContact CB-CD2 3.48Å; T113-Y188 HydrophobicContact CG2-CD2 3.79Å; T113-Y188 HydrophobicContact CG2-CG 3.81Å; P114-Y188 WeakPolarHBondContact O-CE2 3.47Å; P114-Y188 PolarHBondContact O-OH 3.15Å; P114-Y188 VanDerWaalsContact O-OH 3.12Å; C119-Y188 WeakPolarHBondContact CB-OH 3.41Å; L149-Y188 HydrophobicContact CD1-CD1 4.05Å; K184-Y188 VanDerWaalsContact O-CB 3.3Å; K184-Y188 WeakPolarHBondContact O-CB 3.18Å; K184-Y188 PolarHBondContact O-N 2.84Å; Q185-Y188 WeakPolarHBondContact O-CB 3.33Å; Q185-Y188 PolarHBondContact O-N 3.17Å; Y186-Y188 VanDerWaalsContact C-N 3.29Å; Y186-Y188 PolarHBondContact O-N 2.92Å; Y188-H190 VanDerWaalsContact C-N 3.33Å; Y188-H190 PolarHBondContact O-N 3.39Å; Y188-E191 CarbonylContact O-C 3.58Å; Y188-E191 PolarHBondContact O-N 2.96Å; Y188-F192 HydrophobicContact CE1-CD2 4.01Å; Y188-F192 WeakPolarHBondContact O-CA 3.41Å; Y188-F192 VanDerWaalsContact O-CB 3.31Å; Y188-F192 WeakPolarHBondContact O-CB 3.48Å; Y188-F192 PolarHBondContact O-N 3.39Å
189	L	98.8	Very high	98	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-65.3	-35.7	177.7	-69.6	172.8	0	0	0	112.9	L149 A152 L156 P164 I168 I180 Q185 Y186 N187	L149-L189 HydrophobicContact CD1-CD1 4.3Å; L149-L189 HydrophobicContact CD1-CD2 3.82Å; L149-L189 HydrophobicContact CD1-CG 3.73Å; A152-L189 HydrophobicContact CB-CD1 3.78Å; A152-L189 HydrophobicContact CB-CD2 3.58Å; A152-L189 HydrophobicContact CB-CG 4.36Å; L156-L189 HydrophobicContact CD1-CB 4.33Å; L156-L189 HydrophobicContact CD1-CD2 3.98Å; P164-L189 HydrophobicContact CB-CB 4.48Å; I168-L189 HydrophobicContact CD1-CD1 3.98Å; I168-L189 HydrophobicContact CG1-CD1 3.55Å; I180-L189 HydrophobicContact CD1-CD1 3.9Å; I180-L189 HydrophobicContact CG1-CD1 4.18Å; Q185-L189 PolarHBondContact O-N 3.12Å; Y186-L189 PolarHBondContact O-N 3.02Å; N187-L189 VanDerWaalsContact C-N 3.3Å; N187-L189 PolarHBondContact O-N 2.81Å
190	H	98.6	Very high	97.8	Very high	62 Å²	62	60.7 Å²	60.7	29%	0.287	31%	0.307	S	S	.	.	H	α-helix	trans	-73.1	-32.1	178.5	-68.3	70.9	0	0	0	111.9	E165 Y186 N187 Y188	E165-H190 IonicContact OE1-CD2 2.72Å; E165-H190 IonicContact OE1-NE2 3.47Å; E165-H190 PolarHBondContact OE1-NE2 2.88Å; E165-H190 VanDerWaalsContact OE1-NE2 3.11Å; Y186-H190 AromaticContact CD1-CE1 3.94Å; Y186-H190 AromaticContact CD1-ND1 3.95Å; Y186-H190 AromaticContact CD2-CE1 3.89Å; Y186-H190 AromaticContact CE1-CE1 3.45Å; Y186-H190 VanDerWaalsContact CE1-CE1 3.45Å; Y186-H190 WeakPolarHBondContact CE1-CE1 3.07Å; Y186-H190 AromaticContact CE1-ND1 3.78Å; Y186-H190 AromaticContact CE1-NE2 3.99Å; Y186-H190 AromaticContact CE2-CE1 3.38Å; Y186-H190 WeakPolarHBondContact CE2-CE1 3.49Å; Y186-H190 AromaticContact CZ-CE1 3.13Å; Y186-H190 AromaticContact CZ-ND1 3.92Å; Y186-H190 AromaticContact CZ-NE2 3.57Å; Y186-H190 PolarHBondContact O-N 3.38Å; Y186-H190 PolarHBondContact O-ND1 2.69Å; Y186-H190 PolarHBondContact OH-CE1 3.44Å; Y186-H190 PolarHBondContact OH-NE2 3.01Å; N187-H190 PolarHBondContact O-N 3.38Å; N187-H190 VanDerWaalsContact O-N 3.14Å; Y188-H190 VanDerWaalsContact C-N 3.33Å; Y188-H190 PolarHBondContact O-N 3.39Å
191	E	98.3	Very high	97.6	Very high	84 Å²	84	63.3 Å²	63.3	39%	0.393	33%	0.327	S	S	.	.	H	α-helix	trans	-91.9	-4.6	178.8	-63.2	169	-162.8	0	0	113.1	N187 Y188 R193 D194 K195	N187-E191 WeakPolarHBondContact O-CG 3.48Å; N187-E191 PolarHBondContact O-N 3.14Å; Y188-E191 CarbonylContact O-C 3.58Å; Y188-E191 PolarHBondContact O-N 2.96Å; E191-R193 PolarHBondContact O-N 3.34Å; E191-D194 PolarHBondContact O-N 2.99Å; E191-K195 HydrophobicContact CB-CD 4.16Å; E191-K195 HydrophobicContact CB-CG 4.48Å; E191-K195 WeakPolarHBondContact O-CB 3.47Å; E191-K195 WeakPolarHBondContact O-CG 3.44Å; E191-K195 PolarHBondContact O-N 3.28Å; E191-K195 WeakPolarHBondContact OE2-CE 3.19Å; E191-K195 IonicContact OE2-NZ 2.86Å; E191-K195 PolarHBondContact OE2-NZ 3.44Å
192	F	98.6	Very high	97.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-50	-167.5	169.5	-112.8	0	0	0	112.6	I116 M123 C153 L156 Y157 Y188 D194 K195 L196	I116-F192 HydrophobicContact CD1-CD2 4.28Å; I116-F192 HydrophobicContact CD1-CE2 4.33Å; M123-F192 HydrophobicContact CG-CZ 4.11Å; M123-F192 HydrophobicContact SD-CZ 4.44Å; C153-F192 HydrophobicContact CB-CD2 4.4Å; C153-F192 HydrophobicContact CB-CE1 4.26Å; C153-F192 HydrophobicContact CB-CE2 4.1Å; C153-F192 HydrophobicContact CB-CZ 4.02Å; C153-F192 WeakPolarHBondContact O-CE1 3.42Å; L156-F192 HydrophobicContact CB-CD1 3.83Å; L156-F192 HydrophobicContact CB-CE1 4.04Å; L156-F192 HydrophobicContact CD1-CD1 4.16Å; Y157-F192 HydrophobicContact CD2-CZ 4.22Å; Y188-F192 HydrophobicContact CE1-CD2 4.01Å; Y188-F192 WeakPolarHBondContact O-CA 3.41Å; Y188-F192 VanDerWaalsContact O-CB 3.31Å; Y188-F192 WeakPolarHBondContact O-CB 3.48Å; Y188-F192 PolarHBondContact O-N 3.39Å; F192-D194 PolarHBondContact O-N 2.88Å; F192-K195 PolarHBondContact O-N 3.06Å; F192-L196 HydrophobicContact CE1-CD2 4.24Å; F192-L196 HydrophobicContact CZ-CD2 3.95Å; F192-L196 VanDerWaalsContact O-CB 3.27Å; F192-L196 WeakPolarHBondContact O-CB 3.34Å; F192-L196 PolarHBondContact O-N 3.24Å
193	R	98.3	Very high	96.8	Very high	71 Å²	71	63.5 Å²	63.5	27%	0.268	33%	0.327	S	S	.	.	H	α-helix	trans	-63	-43.2	-177.5	-71.7	-172.6	177	123.4	0.7	112.2	L156 S159 I162 E191 L196 A197	L156-R193 PolarHBondContact O-NE 3.22Å; L156-R193 PolarHBondContact O-NH2 3.26Å; S159-R193 PolarHBondContact O-NH2 3.37Å; I162-R193 VanDerWaalsContact O-CZ 3.26Å; I162-R193 PolarHBondContact O-NH1 3.18Å; I162-R193 PolarHBondContact O-NH2 3.35Å; E191-R193 PolarHBondContact O-N 3.34Å; R193-L196 PolarHBondContact O-N 3.04Å; R193-A197 WeakPolarHBondContact O-CB 3.31Å; R193-A197 PolarHBondContact O-N 3.36Å
194	D	98	Very high	96	Very high	123 Å²	123	61 Å²	61	66%	0.658	32%	0.316	S	S	*	.	H	α-helix	trans	-65	-45.1	179.4	-65.1	-22.8	0	0	0	111.1	E191 F192 L196 A197 A198	E191-D194 PolarHBondContact O-N 2.99Å; F192-D194 PolarHBondContact O-N 2.88Å; D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 PolarHBondContact O-N 3.24Å; D194-A197 PolarHBondContact O-N 2.82Å; D194-A198 WeakPolarHBondContact O-CB 3.5Å; D194-A198 PolarHBondContact O-N 2.91Å
195	K	97.9	Very high	95.2	Very high	73 Å²	73	57.5 Å²	57.5	32%	0.317	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-43.2	175.8	-73.7	177.8	179.9	169	0	111.6	I116 E191 F192 A198 H199	I116-K195 HydrophobicContact CB-CB 4.44Å; I116-K195 HydrophobicContact CD1-CB 3.77Å; I116-K195 HydrophobicContact CG1-CB 3.9Å; E191-K195 HydrophobicContact CB-CD 4.16Å; E191-K195 HydrophobicContact CB-CG 4.48Å; E191-K195 WeakPolarHBondContact O-CB 3.47Å; E191-K195 WeakPolarHBondContact O-CG 3.44Å; E191-K195 PolarHBondContact O-N 3.28Å; E191-K195 WeakPolarHBondContact OE2-CE 3.19Å; E191-K195 IonicContact OE2-NZ 2.86Å; E191-K195 PolarHBondContact OE2-NZ 3.44Å; F192-K195 PolarHBondContact O-N 3.06Å; K195-A198 PolarHBondContact O-N 3.11Å; K195-H199 WeakPolarHBondContact O-CB 3.42Å; K195-H199 PolarHBondContact O-N 3.31Å
196	L	97.6	Very high	94	Very high	17 Å²	17	63.3 Å²	63.3	9%	0.089	34%	0.338	C	S	.	.	H	α-helix	trans	-64.1	-47.6	179	-177.9	67.1	0	0	0	111.2	I116 C120 Y157 F192 R193 D194 A198 H199 L200	I116-L196 HydrophobicContact CD1-CB 4.18Å; C120-L196 HydrophobicContact CB-CD1 4.09Å; Y157-L196 HydrophobicContact CD2-CD2 3.55Å; Y157-L196 HydrophobicContact CE2-CD2 3.77Å; F192-L196 HydrophobicContact CE1-CD2 4.24Å; F192-L196 HydrophobicContact CZ-CD2 3.95Å; F192-L196 VanDerWaalsContact O-CB 3.27Å; F192-L196 WeakPolarHBondContact O-CB 3.34Å; F192-L196 PolarHBondContact O-N 3.24Å; R193-L196 PolarHBondContact O-N 3.04Å; D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 PolarHBondContact O-N 3.24Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 3.45Å; L196-H199 WeakPolarHBondContact O-CB 3.08Å; L196-H199 PolarHBondContact O-N 3.03Å; L196-H199 VanDerWaalsContact O-N 3.15Å; L196-L200 HydrophobicContact CD1-CD1 4.4Å; L196-L200 HydrophobicContact CD1-CG 4.38Å; L196-L200 HydrophobicContact CG-CD1 4.13Å; L196-L200 HydrophobicContact CG-CG 4.47Å; L196-L200 WeakPolarHBondContact O-CG 3.48Å; L196-L200 PolarHBondContact O-N 3.17Å
197	A	97.2	Very high	92.8	Very high	52 Å²	52	62 Å²	62	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-42.3	177.9	0	0	0	0	0	112	R193 D194 S201	R193-A197 WeakPolarHBondContact O-CB 3.31Å; R193-A197 PolarHBondContact O-N 3.36Å; D194-A197 PolarHBondContact O-N 2.82Å; A197-S201 WeakPolarHBondContact O-CB 3.36Å; A197-S201 PolarHBondContact O-N 3.17Å; A197-S201 VanDerWaalsContact O-N 3.07Å; A197-S201 PolarHBondContact O-OG 2.92Å
198	A	97.1	Very high	91.4	Very high	62 Å²	62	67.6 Å²	67.6	51%	0.512	36%	0.357	S	S	.	.	H	α-helix	trans	-63.2	-42.3	174.7	0	0	0	0	0	112.1	D194 K195 L196 S202	D194-A198 WeakPolarHBondContact O-CB 3.5Å; D194-A198 PolarHBondContact O-N 2.91Å; K195-A198 PolarHBondContact O-N 3.11Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 3.45Å; A198-S202 PolarHBondContact O-N 3.3Å; A198-S202 VanDerWaalsContact O-N 3.13Å
199	H	96	Very high	89.8	Confident	46 Å²	46	70.7 Å²	70.7	21%	0.213	38%	0.381	C	S	.	.	H	α-helix	trans	-62.6	-48.7	177.6	-179.6	72.3	0	0	0	112.1	I116 K195 L196 S201 S202 R203	I116-H199 HydrophobicContact CG1-CB 3.98Å; I116-H199 HydrophobicContact CG2-CB 4.06Å; K195-H199 WeakPolarHBondContact O-CB 3.42Å; K195-H199 PolarHBondContact O-N 3.31Å; L196-H199 WeakPolarHBondContact O-CB 3.08Å; L196-H199 PolarHBondContact O-N 3.03Å; L196-H199 VanDerWaalsContact O-N 3.15Å; H199-S201 VanDerWaalsContact C-N 3.35Å; H199-S201 PolarHBondContact O-N 3.36Å; H199-S202 PolarHBondContact O-N 3.44Å; H199-R203 WeakPolarHBondContact O-CB 3.45Å; H199-R203 PolarHBondContact O-N 3.44Å
200	L	93.5	Very high	88	Confident	54 Å²	54	76.4 Å²	76.4	28%	0.283	42%	0.416	S	S	.	.	H	α-helix	trans	-62	-41.4	179.5	-66.8	175.9	0	0	0	111.9	L196 S202 R203 D204	L196-L200 HydrophobicContact CD1-CD1 4.4Å; L196-L200 HydrophobicContact CD1-CG 4.38Å; L196-L200 HydrophobicContact CG-CD1 4.13Å; L196-L200 HydrophobicContact CG-CG 4.47Å; L196-L200 WeakPolarHBondContact O-CG 3.48Å; L196-L200 PolarHBondContact O-N 3.17Å; L200-S202 VanDerWaalsContact C-N 3.33Å; L200-S202 PolarHBondContact O-N 2.85Å; L200-R203 PolarHBondContact O-N 2.91Å; L200-D204 PolarHBondContact O-N 3.23Å
201	S	93.7	Very high	86.1	Confident	73 Å²	73	78.6 Å²	78.6	51%	0.51	44%	0.437	S	S	.	.	H	α-helix	trans	-62.8	-38.8	177.1	-57.9	0	0	0	0	112.7	A197 H199 S205	A197-S201 WeakPolarHBondContact O-CB 3.36Å; A197-S201 PolarHBondContact O-N 3.17Å; A197-S201 VanDerWaalsContact O-N 3.07Å; A197-S201 PolarHBondContact O-OG 2.92Å; H199-S201 VanDerWaalsContact C-N 3.35Å; H199-S201 PolarHBondContact O-N 3.36Å; S201-S205 PolarHBondContact O-N 2.97Å; S201-S205 PolarHBondContact O-OG 3.39Å
202	S	90.9	Very high	83.6	Confident	60 Å²	60	88.2 Å²	88.2	42%	0.42	47%	0.47	S	S	.	.	H	α-helix	trans	-67.6	-44.4	175.6	-175.3	0	0	0	0	111.7	A198 H199 L200 D204 S205 Q206	A198-S202 PolarHBondContact O-N 3.3Å; A198-S202 VanDerWaalsContact O-N 3.13Å; H199-S202 PolarHBondContact O-N 3.44Å; L200-S202 VanDerWaalsContact C-N 3.33Å; L200-S202 PolarHBondContact O-N 2.85Å; S202-D204 PolarHBondContact O-N 3.06Å; S202-S205 PolarHBondContact O-N 2.98Å; S202-Q206 WeakPolarHBondContact O-CG 3.38Å; S202-Q206 PolarHBondContact O-N 3.07Å; S202-Q206 VanDerWaalsContact O-N 3.09Å
203	R	88	Confident	82.9	Confident	96 Å²	96	92.6 Å²	92.6	36%	0.362	49%	0.494	S	S	.	.	H	α-helix	trans	-60	-43.3	178.5	-167.5	170.9	74.3	176.7	4.1	111.9	E124 H199 L200 Q206 S207	E124-R203 IonicContact OE1-CZ 3.69Å; E124-R203 IonicContact OE1-NH1 3.49Å; E124-R203 PolarHBondContact OE1-NH1 3.16Å; E124-R203 IonicContact OE1-NH2 3.94Å; E124-R203 PolarHBondContact OE1-NH2 3.02Å; E124-R203 IonicContact OE2-NH1 2.98Å; H199-R203 WeakPolarHBondContact O-CB 3.45Å; H199-R203 PolarHBondContact O-N 3.44Å; L200-R203 PolarHBondContact O-N 2.91Å; R203-Q206 PolarHBondContact O-N 3.18Å; R203-S207 PolarHBondContact O-N 3.22Å; R203-S207 VanDerWaalsContact O-N 3.08Å
204	D	81.2	Confident	82.1	Confident	82 Å²	82	93.7 Å²	93.7	44%	0.439	51%	0.506	S	S	.	.	H	α-helix	trans	-68.8	-33.9	177.4	-77.5	-7.9	0	0	0	113.4	L200 S202 S207 R208	L200-D204 PolarHBondContact O-N 3.23Å; S202-D204 PolarHBondContact O-N 3.06Å; D204-S207 PolarHBondContact O-OG 3.45Å; D204-R208 WeakPolarHBondContact O-CG 3.27Å; D204-R208 PolarHBondContact O-N 2.85Å
205	S	80.3	Confident	81.2	Confident	79 Å²	79	92.1 Å²	92.1	55%	0.552	50%	0.497	S	S	*	.	H	α-helix	trans	-68.8	-37.2	177.2	-60.4	0	0	0	0	111.6	S201 S202 S209	S201-S205 PolarHBondContact O-N 2.97Å; S201-S205 PolarHBondContact O-OG 3.39Å; S202-S205 PolarHBondContact O-N 2.98Å; S205-S209 PolarHBondContact O-N 2.8Å
206	Q	74.9	Confident	80.2	Confident	123 Å²	123	93.2 Å²	93.2	58%	0.575	51%	0.508	S	S	*	.	H	α-helix	trans	-70.7	-41.4	175.5	-70.5	178.3	-4.9	0	0	112.4	S202 R203 R208 S209 V210	S202-Q206 WeakPolarHBondContact O-CG 3.38Å; S202-Q206 PolarHBondContact O-N 3.07Å; S202-Q206 VanDerWaalsContact O-N 3.09Å; R203-Q206 PolarHBondContact O-N 3.18Å; Q206-R208 VanDerWaalsContact C-N 3.28Å; Q206-R208 PolarHBondContact O-N 3.08Å; Q206-S209 PolarHBondContact O-N 3.11Å; Q206-S209 PolarHBondContact O-OG 3.34Å; Q206-V210 WeakPolarHBondContact O-CG2 3.49Å; Q206-V210 PolarHBondContact O-N 3.42Å
207	S	72.8	Confident	79.1	Confident	64 Å²	64	98 Å²	98	45%	0.448	53%	0.534	S	S	.	.	H	α-helix	trans	-63.3	-35.3	178.2	67.2	0	0	0	0	112.7	R203 D204 S211	R203-S207 PolarHBondContact O-N 3.22Å; R203-S207 VanDerWaalsContact O-N 3.08Å; D204-S207 PolarHBondContact O-OG 3.45Å; S207-S211 PolarHBondContact O-OG 2.72Å
208	R	69.7	Low	77.9	Confident	187 Å²	187	101.1 Å²	101.1	71%	0.706	54%	0.541	S	S	*	.	H	α-helix	trans	-72.1	-27.5	176.2	-71	177	-177.1	179.9	5	114	D204 Q206	D204-R208 WeakPolarHBondContact O-CG 3.27Å; D204-R208 PolarHBondContact O-N 2.85Å; Q206-R208 VanDerWaalsContact C-N 3.28Å; Q206-R208 PolarHBondContact O-N 3.08Å
209	S	64.3	Low	76.6	Confident	76 Å²	76	103.9 Å²	103.9	53%	0.531	54%	0.543	S	S	.	.	H	α-helix	trans	-80.9	-27.8	179.7	61.3	0	0	0	0	113.4	S205 Q206 S211	S205-S209 PolarHBondContact O-N 2.8Å; Q206-S209 PolarHBondContact O-N 3.11Å; Q206-S209 PolarHBondContact O-OG 3.34Å; S209-S211 VanDerWaalsContact C-N 3.35Å
210	V	60.1	Low	75.1	Confident	121 Å²	121	108.3 Å²	108.3	73%	0.733	57%	0.568	S	S	*	*	H	α-helix	trans	-81.4	-14.3	177.5	-172.6	0	0	0	0	112.8	Q206 R212	Q206-V210 WeakPolarHBondContact O-CG2 3.49Å; Q206-V210 PolarHBondContact O-N 3.42Å; V210-R212 VanDerWaalsContact C-N 3.32Å; V210-R212 PolarHBondContact O-N 3.31Å
211	S	59.8	Low	73.5	Confident	107 Å²	107	112.8 Å²	112.8	75%	0.748	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	13	179.7	-56.1	0	0	0	0	114.3	S207 S209	S207-S211 PolarHBondContact O-OG 2.72Å; S209-S211 VanDerWaalsContact C-N 3.35Å
212	R	46.6	Very low	71.7	Confident	286 Å²	286	116.5 Å²	116.5	100%	1.079	60%	0.599	S	S	*	*			trans	-114.1	0	176.9	-74.7	-173.8	177	-170.2	-0.6	110.8	V210	V210-R212 VanDerWaalsContact C-N 3.32Å; V210-R212 PolarHBondContact O-N 3.31Å

Retrieved 212 of 212 residues in 691.9 ms (Link to these results)

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