A0A077ZND8_TRITR Loading...

Lyase 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZND8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	86.9	Confident	97.2	Very high	207 Å²	207	105.9 Å²	105.9	100%	1.02	60%	0.598	S	S	*	*				0	125.6	0	-69.3	170.8	64.9	0	0	106	T7	M1-T7 HydrophobicContact CE-CG2 3.4Å
2	E	97.3	Very high	97.3	Very high	172 Å²	172	103.3 Å²	103.3	80%	0.804	59%	0.586	S	S	*	*			trans	-73.1	158.3	176.5	-65	-55.3	137.3	0	0	111.2	T7	E2-T7 PolarHBondContact O-OG1 3.01Å
3	L	98.2	Very high	97.4	Very high	148 Å²	148	101.5 Å²	101.5	78%	0.775	57%	0.574	S	S	*	*			trans	-66.9	131.9	175.9	179.2	64	0	0	0	110.7	A8	L3-A8 HydrophobicContact CD1-CB 3.98Å
4	S	98.2	Very high	97.5	Very high	55 Å²	55	94.9 Å²	94.9	39%	0.385	54%	0.539	S	S	.	.			trans	-153.6	171.1	174.5	71.4	0	0	0	0	109.3	L6 T7 A8	S4-L6 PolarHBondContact O-N 3.15Å; S4-L6 VanDerWaalsContact O-N 3.17Å; S4-L6 PolarHBondContact OG-N 3.11Å; S4-T7 PolarHBondContact N-OG1 3.48Å; S4-T7 PolarHBondContact O-N 2.83Å; S4-T7 VanDerWaalsContact O-N 3.13Å; S4-T7 PolarHBondContact OG-N 3Å; S4-T7 PolarHBondContact OG-OG1 3.48Å; S4-A8 WeakPolarHBondContact O-CB 3.35Å; S4-A8 PolarHBondContact O-N 3.27Å
5	S	97.7	Very high	97.5	Very high	79 Å²	79	101.8 Å²	101.8	55%	0.552	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-23.1	175.1	58.7	0	0	0	0	113.8	G14	S5-G14 CarbonylContact O-C 3.36Å; S5-G14 WeakPolarHBondContact O-CA 3.44Å
6	L	98.2	Very high	97.6	Very high	163 Å²	163	103.3 Å²	103.3	85%	0.853	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-27.8	175.8	-76.8	172.5	0	0	0	113.3	S4	S4-L6 PolarHBondContact O-N 3.15Å; S4-L6 VanDerWaalsContact O-N 3.17Å; S4-L6 PolarHBondContact OG-N 3.11Å
7	T	98.5	Very high	97.7	Very high	48 Å²	48	97.3 Å²	97.3	29%	0.294	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-3.7	-173.2	58.9	0	0	0	0	113.1	M1 E2 S4 V9	M1-T7 HydrophobicContact CE-CG2 3.4Å; E2-T7 PolarHBondContact O-OG1 3.01Å; S4-T7 PolarHBondContact N-OG1 3.48Å; S4-T7 PolarHBondContact O-N 2.83Å; S4-T7 VanDerWaalsContact O-N 3.13Å; S4-T7 PolarHBondContact OG-N 3Å; S4-T7 PolarHBondContact OG-OG1 3.48Å; T7-V9 PolarHBondContact O-N 3.47Å
8	A	98.4	Very high	97.7	Very high	21 Å²	21	97.6 Å²	97.6	17%	0.174	52%	0.52	C	S	.	.			trans	-61.2	132	173.6	0	0	0	0	0	111.3	L3 S4 D13	L3-A8 HydrophobicContact CD1-CB 3.98Å; S4-A8 WeakPolarHBondContact O-CB 3.35Å; S4-A8 PolarHBondContact O-N 3.27Å; A8-D13 HydrophobicContact CB-CB 4.32Å
9	V	98.5	Very high	97.8	Very high	154 Å²	154	99.9 Å²	99.9	93%	0.933	53%	0.525	S	S	*	.	S	Bend	trans	-68.6	-44.3	178.7	178.7	0	0	0	0	111	T7	T7-V9 PolarHBondContact O-N 3.47Å
10	S	98.6	Very high	97.8	Very high	51 Å²	51	97 Å²	97	36%	0.357	51%	0.511	S	S	.	.	S	Bend	trans	-83.5	131.1	175.6	179.6	0	0	0	0	110.5	V12 D13 G14	S10-V12 PolarHBondContact O-N 2.89Å; S10-V12 WeakPolarHBondContact OG-CB 3.45Å; S10-V12 PolarHBondContact OG-N 2.87Å; S10-D13 PolarHBondContact O-N 3.33Å; S10-G14 PolarHBondContact O-N 3.49Å
11	P	98.5	Very high	97.8	Very high	67 Å²	67	95.8 Å²	95.8	44%	0.435	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.1	174.9	30.6	-36.2	0	0	0	112.8	D13 G14 R15 Y16	P11-D13 VanDerWaalsContact C-N 3.27Å; P11-D13 PolarHBondContact O-N 3.38Å; P11-G14 PolarHBondContact O-N 3.36Å; P11-R15 HydrophobicContact CB-CB 4.46Å; P11-R15 PolarHBondContact O-N 3.37Å; P11-Y16 HydrophobicContact CB-CD2 3.95Å; P11-Y16 HydrophobicContact CB-CE2 4.1Å; P11-Y16 WeakPolarHBondContact O-CB 3.46Å; P11-Y16 PolarHBondContact O-N 2.86Å
12	V	98.6	Very high	98.4	Very high	75 Å²	75	88.7 Å²	88.7	46%	0.455	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-37.9	174.5	178.4	0	0	0	0	110.7	S10 G17 V20	S10-V12 PolarHBondContact O-N 2.89Å; S10-V12 WeakPolarHBondContact OG-CB 3.45Å; S10-V12 PolarHBondContact OG-N 2.87Å; V12-G17 WeakPolarHBondContact O-CA 3.24Å; V12-G17 PolarHBondContact O-N 3.5Å; V12-V20 HydrophobicContact CG1-CG2 3.96Å; V12-V20 WeakPolarHBondContact O-CG2 3.45Å
13	D	98.7	Very high	98.4	Very high	80 Å²	80	83.1 Å²	83.1	43%	0.428	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-19.1	175.9	-65.1	-66.3	0	0	0	112.9	A8 S10 P11	A8-D13 HydrophobicContact CB-CB 4.32Å; S10-D13 PolarHBondContact O-N 3.33Å; P11-D13 VanDerWaalsContact C-N 3.27Å; P11-D13 PolarHBondContact O-N 3.38Å
14	G	98.5	Very high	98.5	Very high	8 Å²	8	81.8 Å²	81.8	8%	0.082	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-107.3	178.7	0	0	0	0	0	113.5	S5 S10 P11 Y16 G17	S5-G14 CarbonylContact O-C 3.36Å; S5-G14 WeakPolarHBondContact O-CA 3.44Å; S10-G14 PolarHBondContact O-N 3.49Å; P11-G14 PolarHBondContact O-N 3.36Å; G14-Y16 PolarHBondContact O-N 3.33Å; G14-Y16 VanDerWaalsContact O-N 3.09Å; G14-G17 PolarHBondContact O-N 3.42Å
15	R	98.5	Very high	98.5	Very high	199 Å²	199	80.3 Å²	80.3	75%	0.751	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-34.9	-175	-172.7	178.1	-175	97.4	2	114.2	P11	P11-R15 HydrophobicContact CB-CB 4.46Å; P11-R15 PolarHBondContact O-N 3.37Å
16	Y	98.7	Very high	98.5	Very high	125 Å²	125	77 Å²	77	49%	0.49	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	13.5	-177.1	-49.3	-55.4	0	0	0	112.9	P11 G14 D18 K19	P11-Y16 HydrophobicContact CB-CD2 3.95Å; P11-Y16 HydrophobicContact CB-CE2 4.1Å; P11-Y16 WeakPolarHBondContact O-CB 3.46Å; P11-Y16 PolarHBondContact O-N 2.86Å; G14-Y16 PolarHBondContact O-N 3.33Å; G14-Y16 VanDerWaalsContact O-N 3.09Å; Y16-D18 PolarHBondContact O-N 2.88Å; Y16-K19 WeakPolarHBondContact O-CB 3.16Å; Y16-K19 PolarHBondContact O-N 3.26Å
17	G	98.5	Very high	98.6	Very high	2 Å²	2	73.6 Å²	73.6	2%	0.021	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-58.4	-31.4	-178.5	0	0	0	0	0	113.8	V12 G14 K19 V20 S21	V12-G17 WeakPolarHBondContact O-CA 3.24Å; V12-G17 PolarHBondContact O-N 3.5Å; G14-G17 PolarHBondContact O-N 3.42Å; G17-K19 VanDerWaalsContact C-N 3.27Å; G17-K19 PolarHBondContact O-N 3.41Å; G17-V20 PolarHBondContact O-N 3.09Å; G17-S21 PolarHBondContact O-N 3.39Å
18	D	98.5	Very high	98.6	Very high	103 Å²	103	73.3 Å²	73.3	55%	0.551	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-70.2	-21.7	175.3	73.1	-31.7	0	0	0	113.1	Y16	Y16-D18 PolarHBondContact O-N 2.88Å
19	K	98.6	Very high	98.6	Very high	142 Å²	142	77 Å²	77	62%	0.617	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-84.1	-14.9	180	-52	-47.6	177.7	-151.5	0	113.4	Y16 G17	Y16-K19 WeakPolarHBondContact O-CB 3.16Å; Y16-K19 PolarHBondContact O-N 3.26Å; G17-K19 VanDerWaalsContact C-N 3.27Å; G17-K19 PolarHBondContact O-N 3.41Å
20	V	98.7	Very high	98.6	Very high	41 Å²	41	72.7 Å²	72.7	25%	0.248	37%	0.374	C	S	.	.	S	Bend	trans	-128.8	20.5	-175	-62.1	0	0	0	0	112.6	V12 G17 A22 L23	V12-V20 HydrophobicContact CG1-CG2 3.96Å; V12-V20 WeakPolarHBondContact O-CG2 3.45Å; G17-V20 PolarHBondContact O-N 3.09Å; V20-A22 PolarHBondContact O-N 3.16Å; V20-A22 VanDerWaalsContact O-N 3.16Å; V20-L23 HydrophobicContact CB-CD1 3.99Å; V20-L23 HydrophobicContact CB-CG 4.18Å; V20-L23 HydrophobicContact CG1-CD1 4.25Å; V20-L23 VanDerWaalsContact O-CB 3.28Å; V20-L23 WeakPolarHBondContact O-CB 3.46Å; V20-L23 PolarHBondContact O-N 3.15Å
21	S	98.2	Very high	98.6	Very high	72 Å²	72	70.3 Å²	70.3	50%	0.503	36%	0.357	S	S	.	.	H	α-helix	trans	-55	-36.4	-177	59	0	0	0	0	113.2	G17 L23 R24	G17-S21 PolarHBondContact O-N 3.39Å; S21-L23 PolarHBondContact O-N 3.39Å; S21-R24 VanDerWaalsContact O-CB 3.32Å; S21-R24 WeakPolarHBondContact O-CB 3.46Å; S21-R24 PolarHBondContact O-N 2.95Å
22	A	98.3	Very high	98.6	Very high	57 Å²	57	68.6 Å²	68.6	47%	0.471	34%	0.344	S	S	.	.	H	α-helix	trans	-56.4	-30.5	174.6	0	0	0	0	0	113.1	V20 R24 V142	V20-A22 PolarHBondContact O-N 3.16Å; V20-A22 VanDerWaalsContact O-N 3.16Å; A22-R24 VanDerWaalsContact C-N 3.31Å; A22-R24 PolarHBondContact O-N 3.12Å; A22-V142 HydrophobicContact CB-CG2 4.28Å
23	L	98.8	Very high	98.6	Very high	55 Å²	55	65.1 Å²	65.1	29%	0.288	32%	0.323	S	S	.	.	H	α-helix	trans	-74.3	-21.6	179.7	-55	-170.3	0	0	0	112.6	V20 S21 G25 I26 F27 V142	V20-L23 HydrophobicContact CB-CD1 3.99Å; V20-L23 HydrophobicContact CB-CG 4.18Å; V20-L23 HydrophobicContact CG1-CD1 4.25Å; V20-L23 VanDerWaalsContact O-CB 3.28Å; V20-L23 WeakPolarHBondContact O-CB 3.46Å; V20-L23 PolarHBondContact O-N 3.15Å; S21-L23 PolarHBondContact O-N 3.39Å; L23-G25 PolarHBondContact O-N 3.06Å; L23-I26 PolarHBondContact O-N 2.77Å; L23-F27 HydrophobicContact CB-CD2 4.2Å; L23-F27 HydrophobicContact CD2-CD2 4.06Å; L23-F27 HydrophobicContact CD2-CE2 4.06Å; L23-F27 PolarHBondContact O-N 2.89Å; L23-V142 HydrophobicContact CD2-CG1 4.16Å; L23-V142 HydrophobicContact CD2-CG2 4.37Å
24	R	98.6	Very high	98.6	Very high	121 Å²	121	63.7 Å²	63.7	46%	0.457	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-33.5	178.1	-64.1	-178.5	175.8	-179.8	-1.5	111.7	S21 A22 I26 S28	S21-R24 VanDerWaalsContact O-CB 3.32Å; S21-R24 WeakPolarHBondContact O-CB 3.46Å; S21-R24 PolarHBondContact O-N 2.95Å; A22-R24 VanDerWaalsContact C-N 3.31Å; A22-R24 PolarHBondContact O-N 3.12Å; R24-I26 PolarHBondContact O-N 2.89Å; R24-S28 VanDerWaalsContact O-CB 3.23Å; R24-S28 WeakPolarHBondContact O-CB 3.26Å; R24-S28 PolarHBondContact O-OG 2.81Å
25	G	98.5	Very high	98.7	Very high	23 Å²	23	63.9 Å²	63.9	24%	0.237	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.2	175.2	0	0	0	0	0	114.8	L23 K34	L23-G25 PolarHBondContact O-N 3.06Å; G25-K34 WeakPolarHBondContact O-CE 3.38Å; G25-K34 PolarHBondContact O-NZ 3.33Å
26	I	98.8	Very high	98.7	Very high	10 Å²	10	54.7 Å²	54.7	5%	0.051	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-59	-171.9	-55.3	173.3	0	0	0	111	L23 R24 G31 F35 M134 T137 A138 V142	L23-I26 PolarHBondContact O-N 2.77Å; R24-I26 PolarHBondContact O-N 2.89Å; I26-G31 CarbonylContact O-C 3.56Å; I26-G31 WeakPolarHBondContact O-CA 3.29Å; I26-F35 HydrophobicContact CG2-CE2 4.24Å; I26-M134 HydrophobicContact CG2-CB 3.94Å; I26-M134 HydrophobicContact CG2-CG 4.3Å; I26-M134 WeakPolarHBondContact CG2-O 3.42Å; I26-M134 WeakPolarHBondContact O-CE 3.28Å; I26-M134 WeakPolarHBondContact O-CG 3.46Å; I26-T137 HydrophobicContact CD1-CG2 3.85Å; I26-T137 HydrophobicContact CG1-CG2 4.21Å; I26-A138 HydrophobicContact CG2-CB 4.47Å; I26-V142 HydrophobicContact CD1-CG2 4.25Å
27	F	98.8	Very high	98.7	Very high	91 Å²	91	48.8 Å²	48.8	40%	0.399	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-7	-169.1	-64.7	-67	0	0	0	114.9	L23 M134 L135 A138	L23-F27 HydrophobicContact CB-CD2 4.2Å; L23-F27 HydrophobicContact CD2-CD2 4.06Å; L23-F27 HydrophobicContact CD2-CE2 4.06Å; L23-F27 PolarHBondContact O-N 2.89Å; F27-M134 HydrophobicContact CD1-CB 4.26Å; F27-M134 HydrophobicContact CD1-CE 3.57Å; F27-M134 HydrophobicContact CE1-CB 3.93Å; F27-M134 HydrophobicContact CE1-CE 4.23Å; F27-M134 HydrophobicContact CG-CE 4.46Å; F27-L135 HydrophobicContact CE1-CD2 4.39Å; F27-A138 HydrophobicContact CE2-CB 3.4Å; F27-A138 HydrophobicContact CZ-CB 3.34Å
28	S	98.7	Very high	98.7	Very high	42 Å²	42	51.3 Å²	51.3	29%	0.294	27%	0.265	S	S	.	.	S	Bend	trans	-69.6	170.7	171.5	74.7	0	0	0	0	111.1	R24 Y30 G31 L32	R24-S28 VanDerWaalsContact O-CB 3.23Å; R24-S28 WeakPolarHBondContact O-CB 3.26Å; R24-S28 PolarHBondContact O-OG 2.81Å; S28-Y30 VanDerWaalsContact C-N 3.26Å; S28-Y30 PolarHBondContact O-N 3.39Å; S28-Y30 WeakPolarHBondContact OG-CB 3.33Å; S28-Y30 PolarHBondContact OG-N 3.31Å; S28-G31 WeakPolarHBondContact O-CA 3.47Å; S28-G31 PolarHBondContact O-N 3.33Å; S28-G31 PolarHBondContact OG-N 3.25Å; S28-G31 VanDerWaalsContact OG-N 3.07Å; S28-L32 PolarHBondContact O-N 3.04Å
29	E	98.7	Very high	98.7	Very high	99 Å²	99	47 Å²	47	46%	0.463	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-37.7	170.8	-172	166.6	-135.9	0	0	112	G31 L32 L33 K83	E29-G31 VanDerWaalsContact C-N 3.33Å; E29-G31 PolarHBondContact O-N 2.68Å; E29-L32 PolarHBondContact O-N 3.47Å; E29-L33 HydrophobicContact CG-CD1 4.35Å; E29-L33 HydrophobicContact CG-CG 4.48Å; E29-L33 WeakPolarHBondContact O-CB 3.45Å; E29-L33 VanDerWaalsContact O-CG 3.27Å; E29-L33 WeakPolarHBondContact O-CG 3.47Å; E29-L33 PolarHBondContact O-N 3.36Å; E29-K83 HydrophobicContact CG-CD 4.41Å; E29-K83 WeakPolarHBondContact OE1-CE 3.42Å; E29-K83 IonicContact OE1-NZ 3.75Å; E29-K83 PolarHBondContact OE1-NZ 3.1Å; E29-K83 WeakPolarHBondContact OE2-CE 3.35Å; E29-K83 IonicContact OE2-NZ 2.67Å
30	Y	98.8	Very high	98.7	Very high	64 Å²	64	40.2 Å²	40.2	25%	0.251	21%	0.213	S	C	.	.	H	α-helix	trans	-57.4	-45.9	170.1	163.9	-91.9	0	0	0	111.5	S28 L32 L33 K34 F74 S75 E76 A79	S28-Y30 VanDerWaalsContact C-N 3.26Å; S28-Y30 PolarHBondContact O-N 3.39Å; S28-Y30 WeakPolarHBondContact OG-CB 3.33Å; S28-Y30 PolarHBondContact OG-N 3.31Å; Y30-L32 PolarHBondContact O-N 2.97Å; Y30-L33 PolarHBondContact O-N 2.98Å; Y30-K34 HydrophobicContact CE1-CD 4.37Å; Y30-K34 WeakPolarHBondContact O-CB 3.36Å; Y30-K34 PolarHBondContact O-N 3.17Å; Y30-F74 HydrophobicContact CD2-CD1 4.22Å; Y30-F74 AromaticContact CD2-CE1 3.83Å; Y30-F74 HydrophobicContact CD2-CE1 3.83Å; Y30-F74 AromaticContact CE2-CD1 3.54Å; Y30-F74 HydrophobicContact CE2-CD1 3.54Å; Y30-F74 AromaticContact CE2-CE1 3.64Å; Y30-F74 HydrophobicContact CE2-CE1 3.64Å; Y30-F74 PolarHBondContact OH-O 2.68Å; Y30-S75 WeakPolarHBondContact CE2-O 3.48Å; Y30-E76 HydrophobicContact CD2-CG 4.33Å; Y30-A79 HydrophobicContact CD2-CB 3.81Å
31	G	98.7	Very high	98.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61.6	-44.2	178	0	0	0	0	0	112.6	I26 S28 E29 K34 F35	I26-G31 CarbonylContact O-C 3.56Å; I26-G31 WeakPolarHBondContact O-CA 3.29Å; S28-G31 WeakPolarHBondContact O-CA 3.47Å; S28-G31 PolarHBondContact O-N 3.33Å; S28-G31 PolarHBondContact OG-N 3.25Å; S28-G31 VanDerWaalsContact OG-N 3.07Å; E29-G31 VanDerWaalsContact C-N 3.33Å; E29-G31 PolarHBondContact O-N 2.68Å; G31-K34 WeakPolarHBondContact O-CB 3.46Å; G31-K34 PolarHBondContact O-N 3.28Å; G31-F35 WeakPolarHBondContact O-CD2 3.37Å; G31-F35 PolarHBondContact O-N 2.98Å; G31-F35 VanDerWaalsContact O-N 3.08Å
32	L	98.8	Very high	98.8	Very high	32 Å²	32	39.5 Å²	39.5	17%	0.168	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-48.5	175.2	178.3	60.7	0	0	0	111.5	S28 E29 Y30 K34 F35 R36 M134	S28-L32 PolarHBondContact O-N 3.04Å; E29-L32 PolarHBondContact O-N 3.47Å; Y30-L32 PolarHBondContact O-N 2.97Å; L32-K34 PolarHBondContact O-N 3.05Å; L32-F35 PolarHBondContact O-N 3.39Å; L32-R36 HydrophobicContact CD1-CG 4.43Å; L32-R36 VanDerWaalsContact O-CG 3.31Å; L32-R36 WeakPolarHBondContact O-CG 3.32Å; L32-R36 PolarHBondContact O-N 3.07Å; L32-M134 HydrophobicContact CD1-SD 4Å
33	L	98.9	Very high	98.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-41.3	178.5	-68.3	178.3	0	0	0	112.1	E29 Y30 F35 R36 V37 F74 A79 I82 K83 V96	E29-L33 HydrophobicContact CG-CD1 4.35Å; E29-L33 HydrophobicContact CG-CG 4.48Å; E29-L33 WeakPolarHBondContact O-CB 3.45Å; E29-L33 VanDerWaalsContact O-CG 3.27Å; E29-L33 WeakPolarHBondContact O-CG 3.47Å; E29-L33 PolarHBondContact O-N 3.36Å; Y30-L33 PolarHBondContact O-N 2.98Å; L33-F35 PolarHBondContact O-N 3.46Å; L33-R36 PolarHBondContact O-N 2.98Å; L33-V37 WeakPolarHBondContact O-CG2 3.2Å; L33-V37 PolarHBondContact O-N 2.63Å; L33-F74 HydrophobicContact CB-CE1 4.21Å; L33-F74 HydrophobicContact CB-CZ 3.92Å; L33-A79 HydrophobicContact CD1-CB 4.03Å; L33-I82 HydrophobicContact CB-CD1 4.31Å; L33-I82 HydrophobicContact CD1-CB 4.19Å; L33-I82 HydrophobicContact CD1-CD1 4.36Å; L33-I82 HydrophobicContact CD1-CG2 4.08Å; L33-I82 HydrophobicContact CD2-CD1 4.45Å; L33-I82 HydrophobicContact CD2-CG2 3.81Å; L33-K83 HydrophobicContact CD1-CD 4.3Å; L33-V96 HydrophobicContact CD2-CG2 3.75Å
34	K	98.9	Very high	98.8	Very high	51 Å²	51	37 Å²	37	22%	0.222	17%	0.169	C	C	.	.	H	α-helix	trans	-56.5	-48.5	175.2	-177.5	-178.1	65.1	175.3	0	111.6	G25 Y30 G31 L32 V37 Q38 F74	G25-K34 WeakPolarHBondContact O-CE 3.38Å; G25-K34 PolarHBondContact O-NZ 3.33Å; Y30-K34 HydrophobicContact CE1-CD 4.37Å; Y30-K34 WeakPolarHBondContact O-CB 3.36Å; Y30-K34 PolarHBondContact O-N 3.17Å; G31-K34 WeakPolarHBondContact O-CB 3.46Å; G31-K34 PolarHBondContact O-N 3.28Å; L32-K34 PolarHBondContact O-N 3.05Å; K34-V37 PolarHBondContact O-N 3.04Å; K34-Q38 PolarHBondContact O-N 3.27Å; K34-F74 HydrophobicContact CB-CD1 3.51Å; K34-F74 HydrophobicContact CB-CE1 3.83Å; K34-F74 HydrophobicContact CB-CG 4.35Å; K34-F74 HydrophobicContact CG-CB 4.27Å; K34-F74 HydrophobicContact CG-CD1 3.82Å; K34-F74 HydrophobicContact CG-CG 4.31Å
35	F	98.9	Very high	98.8	Very high	11 Å²	11	32.7 Å²	32.7	5%	0.048	16%	0.155	C	C	.	.	H	α-helix	trans	-71.3	-32.9	179.7	-72.1	-59.8	0	0	0	112.8	I26 G31 L32 L33 Q38 V39 L133 M134	I26-F35 HydrophobicContact CG2-CE2 4.24Å; G31-F35 WeakPolarHBondContact O-CD2 3.37Å; G31-F35 PolarHBondContact O-N 2.98Å; G31-F35 VanDerWaalsContact O-N 3.08Å; L32-F35 PolarHBondContact O-N 3.39Å; L33-F35 PolarHBondContact O-N 3.46Å; F35-Q38 WeakPolarHBondContact O-CB 3.43Å; F35-Q38 PolarHBondContact O-N 2.89Å; F35-V39 WeakPolarHBondContact O-CG2 3.43Å; F35-V39 PolarHBondContact O-N 3.14Å; F35-L133 HydrophobicContact CB-CD1 4.5Å; F35-L133 HydrophobicContact CD1-CB 3.62Å; F35-L133 HydrophobicContact CD1-CD1 3.87Å; F35-L133 HydrophobicContact CD1-CG 4.36Å; F35-L133 HydrophobicContact CE1-CB 3.84Å; F35-L133 HydrophobicContact CG-CB 4.09Å; F35-L133 HydrophobicContact CZ-CB 4.45Å; F35-M134 HydrophobicContact CD2-CB 4.41Å; F35-M134 HydrophobicContact CD2-CG 3.26Å; F35-M134 HydrophobicContact CD2-SD 4.32Å; F35-M134 HydrophobicContact CE2-CB 4.29Å; F35-M134 HydrophobicContact CE2-CG 3.52Å; F35-M134 HydrophobicContact CG-CG 4.23Å
36	R	98.9	Very high	98.8	Very high	7 Å²	7	38 Å²	38	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-46.5	171.4	-73.1	172.3	166.9	165.9	-7.2	111.3	L32 L33 Q38 V39 E40 D92 V96 I126 N127 S130	L32-R36 HydrophobicContact CD1-CG 4.43Å; L32-R36 VanDerWaalsContact O-CG 3.31Å; L32-R36 WeakPolarHBondContact O-CG 3.32Å; L32-R36 PolarHBondContact O-N 3.07Å; L33-R36 PolarHBondContact O-N 2.98Å; R36-Q38 VanDerWaalsContact C-N 3.32Å; R36-Q38 PolarHBondContact O-N 3.19Å; R36-V39 PolarHBondContact O-N 2.79Å; R36-E40 WeakPolarHBondContact O-CG 3.34Å; R36-E40 PolarHBondContact O-N 3.09Å; R36-D92 IonicContact CZ-OD2 2.63Å; R36-D92 IonicContact NH1-OD2 2.79Å; R36-D92 PolarHBondContact NH1-OD2 2.96Å; R36-D92 IonicContact NH2-OD1 2.79Å; R36-D92 IonicContact NH2-OD2 2.79Å; R36-D92 PolarHBondContact NH2-OD2 2.79Å; R36-V96 HydrophobicContact CB-CG1 4.36Å; R36-V96 HydrophobicContact CB-CG2 4.27Å; R36-I126 HydrophobicContact CB-CG2 3.83Å; R36-I126 HydrophobicContact CG-CG2 3.81Å; R36-N127 PolarHBondContact NE-OD1 2.89Å; R36-N127 PolarHBondContact NH2-OD1 3.32Å; R36-S130 WeakPolarHBondContact CA-OG 3.4Å; R36-S130 WeakPolarHBondContact CG-OG 3.44Å; R36-S130 PolarHBondContact N-OG 3.02Å
37	V	98.9	Very high	98.8	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.3	-45.9	173.9	163.3	0	0	0	0	111.1	L33 K34 V39 E40 V41 I70 V71 F74 I82 V96 F99 L100	L33-V37 WeakPolarHBondContact O-CG2 3.2Å; L33-V37 PolarHBondContact O-N 2.63Å; K34-V37 PolarHBondContact O-N 3.04Å; V37-V39 PolarHBondContact O-N 3.47Å; V37-E40 PolarHBondContact O-N 3.4Å; V37-V41 HydrophobicContact CG1-CG2 4.42Å; V37-V41 WeakPolarHBondContact O-CB 3.37Å; V37-V41 VanDerWaalsContact O-CG2 3.3Å; V37-V41 WeakPolarHBondContact O-CG2 3.38Å; V37-V41 PolarHBondContact O-N 3.23Å; V37-I70 HydrophobicContact CG1-CG2 3.88Å; V37-V71 HydrophobicContact CG1-CG2 4.46Å; V37-F74 HydrophobicContact CB-CD2 4.32Å; V37-F74 HydrophobicContact CB-CE2 4.46Å; V37-F74 HydrophobicContact CG1-CD2 4.22Å; V37-F74 HydrophobicContact CG2-CD2 3.99Å; V37-F74 HydrophobicContact CG2-CE2 3.71Å; V37-F74 HydrophobicContact CG2-CZ 4.42Å; V37-I82 HydrophobicContact CG2-CD1 4.33Å; V37-V96 HydrophobicContact CG2-CG1 3.85Å; V37-F99 HydrophobicContact CG2-CD1 4.14Å; V37-F99 HydrophobicContact CG2-CE1 3.91Å; V37-L100 HydrophobicContact CG1-CD2 4.18Å; V37-L100 HydrophobicContact CG2-CD2 4.49Å
38	Q	98.9	Very high	98.8	Very high	55 Å²	55	33.9 Å²	33.9	26%	0.257	15%	0.154	S	C	.	.	H	α-helix	trans	-57	-47.6	175.7	-179.7	177.3	-20.4	0	0	112	K34 F35 R36 R42 V71 L133	K34-Q38 PolarHBondContact O-N 3.27Å; F35-Q38 WeakPolarHBondContact O-CB 3.43Å; F35-Q38 PolarHBondContact O-N 2.89Å; R36-Q38 VanDerWaalsContact C-N 3.32Å; R36-Q38 PolarHBondContact O-N 3.19Å; Q38-R42 HydrophobicContact CG-CG 4.38Å; Q38-R42 WeakPolarHBondContact O-CB 3.49Å; Q38-R42 WeakPolarHBondContact O-CG 3.44Å; Q38-R42 PolarHBondContact O-N 2.84Å; Q38-R42 VanDerWaalsContact O-N 3.1Å; Q38-V71 HydrophobicContact CB-CG1 3.8Å; Q38-V71 HydrophobicContact CG-CG1 3.82Å; Q38-L133 HydrophobicContact CG-CD1 4.5Å
39	V	98.9	Very high	98.8	Very high	13 Å²	13	35.7 Å²	35.7	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-46.9	-178.2	173.8	0	0	0	0	111.3	F35 R36 V37 V41 R42 W43 I126 L129 L133	F35-V39 WeakPolarHBondContact O-CG2 3.43Å; F35-V39 PolarHBondContact O-N 3.14Å; R36-V39 PolarHBondContact O-N 2.79Å; V37-V39 PolarHBondContact O-N 3.47Å; V39-V41 PolarHBondContact O-N 2.79Å; V39-R42 PolarHBondContact O-N 3.29Å; V39-W43 WeakPolarHBondContact O-CB 3.43Å; V39-W43 PolarHBondContact O-N 3.46Å; V39-I126 HydrophobicContact CB-CG2 4.18Å; V39-I126 HydrophobicContact CG1-CD1 3.92Å; V39-I126 HydrophobicContact CG1-CG2 4.23Å; V39-L129 HydrophobicContact CG1-CB 4.11Å; V39-L129 HydrophobicContact CG1-CD1 3.76Å; V39-L129 HydrophobicContact CG2-CB 3.7Å; V39-L133 HydrophobicContact CG2-CD1 3.97Å
40	E	98.8	Very high	98.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-46.1	179.2	-71.8	-74.7	-172.6	0	0	112.5	R36 V37 R42 W43 L44 V96 L100 H118 I126	R36-E40 WeakPolarHBondContact O-CG 3.34Å; R36-E40 PolarHBondContact O-N 3.09Å; V37-E40 PolarHBondContact O-N 3.4Å; E40-R42 VanDerWaalsContact C-N 3.34Å; E40-R42 PolarHBondContact O-N 2.89Å; E40-W43 WeakPolarHBondContact O-CB 3.47Å; E40-W43 PolarHBondContact O-N 3.22Å; E40-L44 PolarHBondContact O-N 2.99Å; E40-V96 HydrophobicContact CG-CG1 4.28Å; E40-L100 HydrophobicContact CB-CD1 3.32Å; E40-L100 HydrophobicContact CG-CD1 3.98Å; E40-H118 IonicContact OE1-CE1 3.55Å; E40-H118 IonicContact OE1-CG 3.4Å; E40-H118 IonicContact OE1-ND1 2.97Å; E40-H118 PolarHBondContact OE1-ND1 3.22Å; E40-H118 WeakPolarHBondContact OE2-CA 3.47Å; E40-H118 PolarHBondContact OE2-N 3.45Å; E40-H118 IonicContact OE2-ND1 3.26Å; E40-I126 HydrophobicContact CG-CD1 4.25Å; E40-I126 HydrophobicContact CG-CG2 4.19Å; E40-I126 WeakPolarHBondContact OE1-CD1 3.41Å; E40-I126 WeakPolarHBondContact OE1-CG1 3.43Å
41	V	98.8	Very high	98.8	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-45.2	178.4	168.1	0	0	0	0	110.8	V37 V39 W43 L44 Q45 L67 V71 L100	V37-V41 HydrophobicContact CG1-CG2 4.42Å; V37-V41 WeakPolarHBondContact O-CB 3.37Å; V37-V41 VanDerWaalsContact O-CG2 3.3Å; V37-V41 WeakPolarHBondContact O-CG2 3.38Å; V37-V41 PolarHBondContact O-N 3.23Å; V39-V41 PolarHBondContact O-N 2.79Å; V41-W43 VanDerWaalsContact C-N 3.28Å; V41-W43 PolarHBondContact O-N 2.91Å; V41-L44 PolarHBondContact O-N 3.33Å; V41-Q45 WeakPolarHBondContact O-CG 3.47Å; V41-Q45 PolarHBondContact O-N 3.13Å; V41-L67 HydrophobicContact CG1-CB 3.76Å; V41-L67 HydrophobicContact CG1-CD2 4.38Å; V41-L67 HydrophobicContact CG1-CG 4.46Å; V41-V71 HydrophobicContact CB-CG2 3.67Å; V41-V71 HydrophobicContact CG1-CG2 3.74Å; V41-V71 HydrophobicContact CG2-CG2 3.8Å; V41-L100 HydrophobicContact CG2-CD2 4.08Å
42	R	98.9	Very high	98.8	Very high	95 Å²	95	40.9 Å²	40.9	36%	0.358	23%	0.228	S	C	.	.	H	α-helix	trans	-68.5	-30.9	-179.5	-61.6	-74.9	171.5	-105.5	8.7	111.4	Q38 V39 E40 Q45 K46 D68	Q38-R42 HydrophobicContact CG-CG 4.38Å; Q38-R42 WeakPolarHBondContact O-CB 3.49Å; Q38-R42 WeakPolarHBondContact O-CG 3.44Å; Q38-R42 PolarHBondContact O-N 2.84Å; Q38-R42 VanDerWaalsContact O-N 3.1Å; V39-R42 PolarHBondContact O-N 3.29Å; E40-R42 VanDerWaalsContact C-N 3.34Å; E40-R42 PolarHBondContact O-N 2.89Å; R42-Q45 VanDerWaalsContact NH1-CD 3.34Å; R42-K46 WeakPolarHBondContact O-CB 3.4Å; R42-K46 PolarHBondContact O-N 2.97Å; R42-D68 IonicContact CZ-OD1 3.74Å; R42-D68 IonicContact NH1-OD1 3.63Å; R42-D68 PolarHBondContact NH1-OD1 2.67Å; R42-D68 IonicContact NH2-OD1 3.72Å; R42-D68 PolarHBondContact NH2-OD1 3.29Å
43	W	98.9	Very high	98.8	Very high	55 Å²	55	41.6 Å²	41.6	21%	0.208	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-51.9	171.8	-178.3	-118.1	0	0	0	111.4	V39 E40 V41 Q45 K46 L47 F119 C121 I207	V39-W43 WeakPolarHBondContact O-CB 3.43Å; V39-W43 PolarHBondContact O-N 3.46Å; E40-W43 WeakPolarHBondContact O-CB 3.47Å; E40-W43 PolarHBondContact O-N 3.22Å; V41-W43 VanDerWaalsContact C-N 3.28Å; V41-W43 PolarHBondContact O-N 2.91Å; W43-Q45 VanDerWaalsContact C-N 3.35Å; W43-Q45 PolarHBondContact O-N 3.36Å; W43-K46 WeakPolarHBondContact O-CB 3.43Å; W43-K46 PolarHBondContact O-N 2.94Å; W43-L47 HydrophobicContact CZ2-CD2 4.07Å; W43-L47 WeakPolarHBondContact O-CG 3.03Å; W43-L47 PolarHBondContact O-N 2.67Å; W43-F119 PolarHBondContact NE1-O 3.28Å; W43-C121 PolarHBondContact NE1-SG 3.34Å; W43-I207 HydrophobicContact CD2-CD1 3.86Å; W43-I207 HydrophobicContact CE3-CD1 3.51Å; W43-I207 HydrophobicContact CH2-CD1 4.08Å; W43-I207 HydrophobicContact CH2-CG1 4.39Å; W43-I207 HydrophobicContact CZ2-CD1 4.39Å; W43-I207 HydrophobicContact CZ3-CD1 3.63Å; W43-I207 HydrophobicContact CZ3-CG1 4.22Å
44	L	98.8	Very high	98.7	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-58.6	-45.1	177.7	-178.6	65.6	0	0	0	112.1	E40 V41 K46 L47 A48 V56 F59 L67 V113 F116 I117	E40-L44 PolarHBondContact O-N 2.99Å; V41-L44 PolarHBondContact O-N 3.33Å; L44-K46 VanDerWaalsContact C-N 3.25Å; L44-K46 PolarHBondContact O-N 3.3Å; L44-L47 WeakPolarHBondContact O-CB 3.47Å; L44-L47 PolarHBondContact O-N 2.87Å; L44-A48 PolarHBondContact O-N 3.43Å; L44-V56 HydrophobicContact CD1-CG1 4.38Å; L44-F59 HydrophobicContact CD1-CZ 4.41Å; L44-F59 HydrophobicContact CD2-CE2 4.34Å; L44-F59 HydrophobicContact CD2-CZ 4.16Å; L44-F59 HydrophobicContact CG-CE2 4.04Å; L44-F59 HydrophobicContact CG-CZ 3.98Å; L44-L67 HydrophobicContact CD2-CD1 4.42Å; L44-V113 HydrophobicContact CD1-CG2 4.33Å; L44-F116 HydrophobicContact CD1-CB 4.08Å; L44-I117 HydrophobicContact CD2-CG1 4Å
45	Q	98.8	Very high	98.7	Very high	31 Å²	31	53.5 Å²	53.5	15%	0.145	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-37	175.6	-74.3	173.8	-38.3	0	0	112.2	V41 R42 W43 A48 A49 L67 D68	V41-Q45 WeakPolarHBondContact O-CG 3.47Å; V41-Q45 PolarHBondContact O-N 3.13Å; R42-Q45 VanDerWaalsContact NH1-CD 3.34Å; W43-Q45 VanDerWaalsContact C-N 3.35Å; W43-Q45 PolarHBondContact O-N 3.36Å; Q45-A48 PolarHBondContact O-N 3.26Å; Q45-A49 WeakPolarHBondContact O-CB 3.44Å; Q45-A49 PolarHBondContact O-N 3.32Å; Q45-L67 HydrophobicContact CG-CD1 3.71Å; Q45-D68 PolarHBondContact NE2-OD1 3.47Å
46	K	98.9	Very high	98.7	Very high	134 Å²	134	53 Å²	53	58%	0.583	28%	0.283	S	S	*	.	H	α-helix	trans	-69	-38.1	176.8	-174.3	170.5	178.1	62.5	0	112	R42 W43 L44 A49 H50	R42-K46 WeakPolarHBondContact O-CB 3.4Å; R42-K46 PolarHBondContact O-N 2.97Å; W43-K46 WeakPolarHBondContact O-CB 3.43Å; W43-K46 PolarHBondContact O-N 2.94Å; L44-K46 VanDerWaalsContact C-N 3.25Å; L44-K46 PolarHBondContact O-N 3.3Å; K46-A49 PolarHBondContact O-N 2.93Å; K46-H50 WeakPolarHBondContact O-CB 3.44Å; K46-H50 PolarHBondContact O-N 3.26Å
47	L	98.8	Very high	98.7	Very high	10 Å²	10	56.3 Å²	56.3	5%	0.052	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-49.3	172.9	-63.1	173.6	0	0	0	110.3	W43 L44 A49 H50 I53 V56 F116 F119	W43-L47 HydrophobicContact CZ2-CD2 4.07Å; W43-L47 WeakPolarHBondContact O-CG 3.03Å; W43-L47 PolarHBondContact O-N 2.67Å; L44-L47 WeakPolarHBondContact O-CB 3.47Å; L44-L47 PolarHBondContact O-N 2.87Å; L47-A49 VanDerWaalsContact C-N 3.32Å; L47-A49 PolarHBondContact O-N 3.08Å; L47-H50 WeakPolarHBondContact O-CB 3.22Å; L47-H50 PolarHBondContact O-N 3.43Å; L47-I53 HydrophobicContact CD2-CD1 3.58Å; L47-V56 HydrophobicContact CB-CB 4.42Å; L47-V56 HydrophobicContact CB-CG1 4.36Å; L47-V56 HydrophobicContact CB-CG2 4.39Å; L47-F116 HydrophobicContact CD1-CB 4.42Å; L47-F119 HydrophobicContact CD1-CB 3.95Å
48	A	98.7	Very high	98.7	Very high	5 Å²	5	60 Å²	60	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-59.8	-39.2	178.4	0	0	0	0	0	113.4	L44 Q45 H50 V56 P57 A58 F59	L44-A48 PolarHBondContact O-N 3.43Å; Q45-A48 PolarHBondContact O-N 3.26Å; A48-H50 PolarHBondContact O-N 3.01Å; A48-V56 WeakPolarHBondContact CA-O 3.3Å; A48-V56 HydrophobicContact CB-CG1 3.71Å; A48-P57 WeakPolarHBondContact CB-O 3.41Å; A48-A58 VanDerWaalsContact O-CA 3.24Å; A48-A58 WeakPolarHBondContact O-CA 3.44Å; A48-A58 PolarHBondContact O-N 3.33Å; A48-F59 HydrophobicContact CB-CD1 4.14Å; A48-F59 HydrophobicContact CB-CD2 3.54Å; A48-F59 HydrophobicContact CB-CE1 4.06Å; A48-F59 HydrophobicContact CB-CE2 3.46Å; A48-F59 VanDerWaalsContact CB-CE2 3.46Å; A48-F59 HydrophobicContact CB-CG 3.88Å; A48-F59 HydrophobicContact CB-CZ 3.73Å
49	A	98.6	Very high	98.6	Very high	81 Å²	81	58.5 Å²	58.5	67%	0.669	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.2	178.2	0	0	0	0	0	113.6	Q45 K46 L47 A51	Q45-A49 WeakPolarHBondContact O-CB 3.44Å; Q45-A49 PolarHBondContact O-N 3.32Å; K46-A49 PolarHBondContact O-N 2.93Å; L47-A49 VanDerWaalsContact C-N 3.32Å; L47-A49 PolarHBondContact O-N 3.08Å; A49-A51 PolarHBondContact O-N 3.14Å
50	H	98.7	Very high	98.6	Very high	97 Å²	97	60.1 Å²	60.1	45%	0.449	34%	0.343	S	S	.	.			trans	-93.1	101.6	-174.8	-162.2	79.1	0	0	0	111.4	K46 L47 A48 A52 I53	K46-H50 WeakPolarHBondContact O-CB 3.44Å; K46-H50 PolarHBondContact O-N 3.26Å; L47-H50 WeakPolarHBondContact O-CB 3.22Å; L47-H50 PolarHBondContact O-N 3.43Å; A48-H50 PolarHBondContact O-N 3.01Å; H50-A52 PolarHBondContact O-N 3.1Å; H50-I53 HydrophobicContact CB-CD1 4.35Å; H50-I53 PolarHBondContact O-N 3.45Å
51	A	98.3	Very high	98.6	Very high	99 Å²	99	64 Å²	64	82%	0.818	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-18.6	-174.1	0	0	0	0	0	116.2	A49	A49-A51 PolarHBondContact O-N 3.14Å
52	A	98.6	Very high	98.6	Very high	76 Å²	76	70.8 Å²	70.8	63%	0.628	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-19.1	176.1	0	0	0	0	0	114	H50 K54	H50-A52 PolarHBondContact O-N 3.1Å; A52-K54 PolarHBondContact O-N 3.45Å
53	I	98.4	Very high	98.5	Very high	46 Å²	46	66.4 Å²	66.4	24%	0.236	40%	0.396	C	S	.	.			trans	-96.5	90.3	177.4	-61.1	173	0	0	0	107.5	L47 H50 E55 V56	L47-I53 HydrophobicContact CD2-CD1 3.58Å; H50-I53 HydrophobicContact CB-CD1 4.35Å; H50-I53 PolarHBondContact O-N 3.45Å; I53-E55 VanDerWaalsContact C-N 3.33Å; I53-V56 HydrophobicContact CG2-CB 4.18Å; I53-V56 HydrophobicContact CG2-CG2 3.98Å; I53-V56 PolarHBondContact O-N 3.02Å; I53-V56 VanDerWaalsContact O-O 3.14Å
54	K	98.3	Very high	98.5	Very high	173 Å²	173	67 Å²	67	75%	0.752	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-22.9	-171.2	-63.8	-179.6	-177.4	176.8	0	112.9	A52 V56	A52-K54 PolarHBondContact O-N 3.45Å; K54-V56 PolarHBondContact O-N 3.43Å
55	E	98.5	Very high	98.5	Very high	130 Å²	130	68.5 Å²	68.5	61%	0.607	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.8	177.8	-64.6	74.9	-168.3	0	0	112.1	I53 F116	I53-E55 VanDerWaalsContact C-N 3.33Å; E55-F116 HydrophobicContact CB-CE1 4.16Å; E55-F116 HydrophobicContact CB-CE2 3.96Å; E55-F116 HydrophobicContact CB-CZ 3.44Å; E55-F116 VanDerWaalsContact CB-CZ 3.44Å; E55-F116 HydrophobicContact CG-CZ 4.18Å
56	V	98.6	Very high	98.5	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.006	43%	0.427	C	S	.	.	S	Bend	trans	-118.7	88.6	172.8	-166.4	0	0	0	0	108.2	L44 L47 A48 I53 K54 F59 V113 F116	L44-V56 HydrophobicContact CD1-CG1 4.38Å; L47-V56 HydrophobicContact CB-CB 4.42Å; L47-V56 HydrophobicContact CB-CG1 4.36Å; L47-V56 HydrophobicContact CB-CG2 4.39Å; A48-V56 WeakPolarHBondContact CA-O 3.3Å; A48-V56 HydrophobicContact CB-CG1 3.71Å; I53-V56 HydrophobicContact CG2-CB 4.18Å; I53-V56 HydrophobicContact CG2-CG2 3.98Å; I53-V56 PolarHBondContact O-N 3.02Å; I53-V56 VanDerWaalsContact O-O 3.14Å; K54-V56 PolarHBondContact O-N 3.43Å; V56-F59 HydrophobicContact CG1-CZ 4.29Å; V56-V113 HydrophobicContact CB-CG1 4.48Å; V56-V113 HydrophobicContact CG1-CB 4.2Å; V56-V113 HydrophobicContact CG1-CG1 4.09Å; V56-V113 HydrophobicContact CG1-CG2 4.38Å; V56-F116 HydrophobicContact CG2-CB 3.79Å; V56-F116 HydrophobicContact CG2-CD1 3.43Å; V56-F116 VanDerWaalsContact CG2-CD1 3.43Å; V56-F116 HydrophobicContact CG2-CD2 3.85Å; V56-F116 HydrophobicContact CG2-CE1 3.9Å; V56-F116 HydrophobicContact CG2-CE2 4.28Å; V56-F116 HydrophobicContact CG2-CG 3.4Å; V56-F116 HydrophobicContact CG2-CZ 4.3Å
57	P	98.2	Very high	98.5	Very high	75 Å²	75	64.5 Å²	64.5	49%	0.487	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-65.1	158.2	-179.8	28	-35	0	0	0	111.6	A48 F59	A48-P57 WeakPolarHBondContact CB-O 3.41Å; P57-F59 PolarHBondContact O-N 3.23Å
58	A	98.6	Very high	98.5	Very high	79 Å²	79	66.8 Å²	66.8	65%	0.653	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-59.9	130.9	177.4	0	0	0	0	0	111.3	A48	A48-A58 VanDerWaalsContact O-CA 3.24Å; A48-A58 WeakPolarHBondContact O-CA 3.44Å; A48-A58 PolarHBondContact O-N 3.33Å
59	F	98.6	Very high	98.5	Very high	22 Å²	22	68.8 Å²	68.8	10%	0.096	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-74.4	142.2	-178.3	-65	-36.9	0	0	0	112.9	L44 A48 V56 P57 A63 I64 L67 E109 L110 V113	L44-F59 HydrophobicContact CD1-CZ 4.41Å; L44-F59 HydrophobicContact CD2-CE2 4.34Å; L44-F59 HydrophobicContact CD2-CZ 4.16Å; L44-F59 HydrophobicContact CG-CE2 4.04Å; L44-F59 HydrophobicContact CG-CZ 3.98Å; A48-F59 HydrophobicContact CB-CD1 4.14Å; A48-F59 HydrophobicContact CB-CD2 3.54Å; A48-F59 HydrophobicContact CB-CE1 4.06Å; A48-F59 HydrophobicContact CB-CE2 3.46Å; A48-F59 VanDerWaalsContact CB-CE2 3.46Å; A48-F59 HydrophobicContact CB-CG 3.88Å; A48-F59 HydrophobicContact CB-CZ 3.73Å; V56-F59 HydrophobicContact CG1-CZ 4.29Å; P57-F59 PolarHBondContact O-N 3.23Å; F59-A63 HydrophobicContact CB-CB 4.12Å; F59-A63 HydrophobicContact CG-CB 4.47Å; F59-I64 HydrophobicContact CB-CD1 4.31Å; F59-I64 HydrophobicContact CB-CG1 3.71Å; F59-L67 HydrophobicContact CD2-CD1 3.91Å; F59-L67 HydrophobicContact CE2-CD1 3.64Å; F59-E109 WeakPolarHBondContact CA-OE1 3.39Å; F59-E109 HydrophobicContact CD1-CG 4.29Å; F59-L110 HydrophobicContact CD1-CD2 3.97Å; F59-L110 HydrophobicContact CD2-CD2 4.28Å; F59-L110 HydrophobicContact CE1-CD2 3.69Å; F59-L110 HydrophobicContact CE2-CD2 4.01Å; F59-L110 HydrophobicContact CG-CD2 4.28Å; F59-L110 HydrophobicContact CZ-CD2 3.71Å; F59-V113 HydrophobicContact CE1-CG2 3.76Å; F59-V113 HydrophobicContact CZ-CG2 3.76Å
60	A	98.2	Very high	98.5	Very high	47 Å²	47	65.5 Å²	65.5	39%	0.388	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-66.7	161.1	167.2	0	0	0	0	0	111.2	D62 A63 I64 E109	A60-D62 VanDerWaalsContact C-N 3.27Å; A60-D62 PolarHBondContact O-N 2.97Å; A60-A63 PolarHBondContact O-N 2.73Å; A60-A63 VanDerWaalsContact O-N 3.15Å; A60-I64 WeakPolarHBondContact O-CG1 3.12Å; A60-I64 PolarHBondContact O-N 3.37Å; A60-E109 PolarHBondContact N-OE1 3.22Å
61	A	98.5	Very high	98.5	Very high	82 Å²	82	61.7 Å²	61.7	68%	0.678	38%	0.383	S	S	*	.	H	α-helix	trans	-57.8	-38.7	-178.4	0	0	0	0	0	112.8	I64 G65	A61-I64 PolarHBondContact O-N 3.26Å; A61-G65 PolarHBondContact O-N 3.16Å
62	D	98.3	Very high	98.5	Very high	146 Å²	146	61.3 Å²	61.3	78%	0.781	38%	0.38	S	S	*	.	H	α-helix	trans	-67	-39.4	179	-63.2	-34.1	0	0	0	111.9	A60 G65 Y66	A60-D62 VanDerWaalsContact C-N 3.27Å; A60-D62 PolarHBondContact O-N 2.97Å; D62-G65 PolarHBondContact O-N 3.49Å; D62-Y66 PolarHBondContact O-N 3.38Å
63	A	98.4	Very high	98.5	Very high	2 Å²	2	61.5 Å²	61.5	2%	0.017	38%	0.377	C	S	.	.	H	α-helix	trans	-67.3	-40.9	176.3	0	0	0	0	0	111.7	F59 A60 Y66 L67 E109 L110	F59-A63 HydrophobicContact CB-CB 4.12Å; F59-A63 HydrophobicContact CG-CB 4.47Å; A60-A63 PolarHBondContact O-N 2.73Å; A60-A63 VanDerWaalsContact O-N 3.15Å; A63-Y66 PolarHBondContact O-N 3.38Å; A63-L67 WeakPolarHBondContact O-CG 3.47Å; A63-L67 PolarHBondContact O-N 3.28Å; A63-L67 VanDerWaalsContact O-N 3.09Å; A63-E109 HydrophobicContact CB-CG 4.46Å; A63-L110 HydrophobicContact CB-CD2 4Å; A63-L110 HydrophobicContact CB-CG 4.25Å
64	I	98.6	Very high	98.5	Very high	67 Å²	67	59.7 Å²	59.7	34%	0.344	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-46.9	171.8	-66.4	172.5	0	0	0	110.3	F59 A60 A61 Y66 L67 D68	F59-I64 HydrophobicContact CB-CD1 4.31Å; F59-I64 HydrophobicContact CB-CG1 3.71Å; A60-I64 WeakPolarHBondContact O-CG1 3.12Å; A60-I64 PolarHBondContact O-N 3.37Å; A61-I64 PolarHBondContact O-N 3.26Å; I64-Y66 VanDerWaalsContact C-N 3.33Å; I64-Y66 PolarHBondContact O-N 3.42Å; I64-L67 PolarHBondContact O-N 2.99Å; I64-D68 WeakPolarHBondContact O-CB 3.5Å; I64-D68 VanDerWaalsContact O-CG 3.28Å; I64-D68 PolarHBondContact O-N 3.21Å
65	G	98.6	Very high	98.6	Very high	35 Å²	35	52.9 Å²	52.9	36%	0.361	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-39	178.5	0	0	0	0	0	113	A61 D62 D68 A69	A61-G65 PolarHBondContact O-N 3.16Å; D62-G65 PolarHBondContact O-N 3.49Å; G65-D68 PolarHBondContact O-N 3.25Å; G65-A69 WeakPolarHBondContact O-CB 3.39Å; G65-A69 PolarHBondContact O-N 3.19Å
66	Y	98.6	Very high	98.6	Very high	80 Å²	80	54 Å²	54	31%	0.314	35%	0.346	S	S	.	.	H	α-helix	trans	-64.4	-45.7	175.1	-173.7	-93	0	0	0	112.1	D62 A63 I64 D68 A69 I70 K103 I107 L110	D62-Y66 PolarHBondContact O-N 3.38Å; A63-Y66 PolarHBondContact O-N 3.38Å; I64-Y66 VanDerWaalsContact C-N 3.33Å; I64-Y66 PolarHBondContact O-N 3.42Å; Y66-D68 VanDerWaalsContact C-N 3.33Å; Y66-D68 PolarHBondContact O-N 3.26Å; Y66-A69 WeakPolarHBondContact O-CB 3.46Å; Y66-A69 PolarHBondContact O-N 3.43Å; Y66-I70 HydrophobicContact CD1-CD1 4.01Å; Y66-I70 HydrophobicContact CD1-CG1 4.48Å; Y66-I70 HydrophobicContact CE1-CD1 3.74Å; Y66-I70 HydrophobicContact CE1-CG1 4.25Å; Y66-I70 PolarHBondContact O-N 3.43Å; Y66-I70 VanDerWaalsContact O-N 3.09Å; Y66-K103 WeakPolarHBondContact CE1-O 3.12Å; Y66-K103 PolarHBondContact OH-O 2.94Å; Y66-I107 HydrophobicContact CD1-CG1 3.83Å; Y66-I107 HydrophobicContact CD2-CD1 4.05Å; Y66-I107 HydrophobicContact CD2-CG1 4.08Å; Y66-I107 HydrophobicContact CE1-CG1 3.74Å; Y66-I107 HydrophobicContact CE2-CD1 4.01Å; Y66-I107 HydrophobicContact CE2-CG1 4.03Å; Y66-I107 HydrophobicContact CG-CD1 4.38Å; Y66-I107 HydrophobicContact CG-CG1 3.98Å; Y66-L110 HydrophobicContact CD1-CD1 3.66Å; Y66-L110 HydrophobicContact CE1-CD1 4.38Å; Y66-L110 HydrophobicContact CG-CD1 4.43Å
67	L	98.7	Very high	98.6	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-61.3	-42.1	174.8	-74.5	-179.2	0	0	0	112	V41 L44 Q45 F59 A63 I64 A69 I70 V71 V104 L110	V41-L67 HydrophobicContact CG1-CB 3.76Å; V41-L67 HydrophobicContact CG1-CD2 4.38Å; V41-L67 HydrophobicContact CG1-CG 4.46Å; L44-L67 HydrophobicContact CD2-CD1 4.42Å; Q45-L67 HydrophobicContact CG-CD1 3.71Å; F59-L67 HydrophobicContact CD2-CD1 3.91Å; F59-L67 HydrophobicContact CE2-CD1 3.64Å; A63-L67 WeakPolarHBondContact O-CG 3.47Å; A63-L67 PolarHBondContact O-N 3.28Å; A63-L67 VanDerWaalsContact O-N 3.09Å; I64-L67 PolarHBondContact O-N 2.99Å; L67-A69 VanDerWaalsContact C-N 3.3Å; L67-A69 PolarHBondContact O-N 3.12Å; L67-I70 HydrophobicContact CD2-CD1 4.29Å; L67-I70 PolarHBondContact O-N 3.25Å; L67-V71 PolarHBondContact O-N 2.6Å; L67-V104 HydrophobicContact CD2-CG1 4.03Å; L67-L110 HydrophobicContact CD1-CD2 3.84Å; L67-L110 HydrophobicContact CD2-CD1 3.88Å; L67-L110 HydrophobicContact CD2-CD2 4.37Å; L67-L110 HydrophobicContact CG-CD1 3.87Å; L67-L110 HydrophobicContact CG-CD2 4.04Å
68	D	98.7	Very high	98.6	Very high	57 Å²	57	57.9 Å²	57.9	31%	0.305	36%	0.358	S	S	.	.	H	α-helix	trans	-64	-36.7	175.9	-72.2	-17.2	0	0	0	112.1	R42 Q45 I64 G65 Y66 V71 A72	R42-D68 IonicContact CZ-OD1 3.74Å; R42-D68 IonicContact NH1-OD1 3.63Å; R42-D68 PolarHBondContact NH1-OD1 2.67Å; R42-D68 IonicContact NH2-OD1 3.72Å; R42-D68 PolarHBondContact NH2-OD1 3.29Å; Q45-D68 PolarHBondContact NE2-OD1 3.47Å; I64-D68 WeakPolarHBondContact O-CB 3.5Å; I64-D68 VanDerWaalsContact O-CG 3.28Å; I64-D68 PolarHBondContact O-N 3.21Å; G65-D68 PolarHBondContact O-N 3.25Å; Y66-D68 VanDerWaalsContact C-N 3.33Å; Y66-D68 PolarHBondContact O-N 3.26Å; D68-V71 PolarHBondContact O-N 3.14Å; D68-A72 WeakPolarHBondContact O-CB 3.38Å; D68-A72 PolarHBondContact O-N 2.79Å
69	A	98.7	Very high	98.6	Very high	47 Å²	47	54.5 Å²	54.5	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-43.5	174.7	0	0	0	0	0	111.5	G65 Y66 L67 V71 A72 S73	G65-A69 WeakPolarHBondContact O-CB 3.39Å; G65-A69 PolarHBondContact O-N 3.19Å; Y66-A69 WeakPolarHBondContact O-CB 3.46Å; Y66-A69 PolarHBondContact O-N 3.43Å; L67-A69 VanDerWaalsContact C-N 3.3Å; L67-A69 PolarHBondContact O-N 3.12Å; A69-V71 PolarHBondContact O-N 3.21Å; A69-A72 PolarHBondContact O-N 2.97Å; A69-S73 WeakPolarHBondContact O-CB 3.43Å; A69-S73 PolarHBondContact O-N 3.19Å; A69-S73 PolarHBondContact O-OG 2.94Å
70	I	98.6	Very high	98.6	Very high	12 Å²	12	56 Å²	56	6%	0.062	35%	0.347	C	S	.	.	H	α-helix	trans	-53.7	-42.6	175.1	-65.7	169.5	0	0	0	111.1	V37 Y66 L67 F74 F99 L100 K103 V104	V37-I70 HydrophobicContact CG1-CG2 3.88Å; Y66-I70 HydrophobicContact CD1-CD1 4.01Å; Y66-I70 HydrophobicContact CD1-CG1 4.48Å; Y66-I70 HydrophobicContact CE1-CD1 3.74Å; Y66-I70 HydrophobicContact CE1-CG1 4.25Å; Y66-I70 PolarHBondContact O-N 3.43Å; Y66-I70 VanDerWaalsContact O-N 3.09Å; L67-I70 HydrophobicContact CD2-CD1 4.29Å; L67-I70 PolarHBondContact O-N 3.25Å; I70-F74 PolarHBondContact O-N 2.99Å; I70-F99 HydrophobicContact CG2-CE1 4.5Å; I70-L100 HydrophobicContact CG2-CD2 3.93Å; I70-K103 HydrophobicContact CD1-CB 3.84Å; I70-K103 HydrophobicContact CG1-CB 4.47Å; I70-V104 HydrophobicContact CD1-CG1 4.31Å
71	V	98.7	Very high	98.6	Very high	17 Å²	17	58.8 Å²	58.8	10%	0.103	35%	0.348	C	S	.	.	H	α-helix	trans	-70.8	-48.9	179.4	177.6	0	0	0	0	111.4	V37 Q38 V41 L67 D68 A69	V37-V71 HydrophobicContact CG1-CG2 4.46Å; Q38-V71 HydrophobicContact CB-CG1 3.8Å; Q38-V71 HydrophobicContact CG-CG1 3.82Å; V41-V71 HydrophobicContact CB-CG2 3.67Å; V41-V71 HydrophobicContact CG1-CG2 3.74Å; V41-V71 HydrophobicContact CG2-CG2 3.8Å; L67-V71 PolarHBondContact O-N 2.6Å; D68-V71 PolarHBondContact O-N 3.14Å; A69-V71 PolarHBondContact O-N 3.21Å
72	A	98.5	Very high	98.6	Very high	92 Å²	92	54.9 Å²	54.9	76%	0.76	32%	0.315	S	S	*	.	H	α-helix	trans	-72.3	-32.8	-173	0	0	0	0	0	113.2	D68 A69	D68-A72 WeakPolarHBondContact O-CB 3.38Å; D68-A72 PolarHBondContact O-N 2.79Å; A69-A72 PolarHBondContact O-N 2.97Å
73	S	98.5	Very high	98.7	Very high	80 Å²	80	51 Å²	51	56%	0.559	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	16	-177.6	78	0	0	0	0	113.8	A69 S75	A69-S73 WeakPolarHBondContact O-CB 3.43Å; A69-S73 PolarHBondContact O-N 3.19Å; A69-S73 PolarHBondContact O-OG 2.94Å; S73-S75 PolarHBondContact O-N 2.66Å
74	F	98.8	Very high	98.7	Very high	7 Å²	7	54.1 Å²	54.1	3%	0.031	31%	0.31	C	S	.	.			trans	-56.5	120.4	179.9	-177.2	-98.1	0	0	0	111.3	Y30 L33 K34 V37 I70 D78 A79 I82 F99	Y30-F74 HydrophobicContact CD2-CD1 4.22Å; Y30-F74 AromaticContact CD2-CE1 3.83Å; Y30-F74 HydrophobicContact CD2-CE1 3.83Å; Y30-F74 AromaticContact CE2-CD1 3.54Å; Y30-F74 HydrophobicContact CE2-CD1 3.54Å; Y30-F74 AromaticContact CE2-CE1 3.64Å; Y30-F74 HydrophobicContact CE2-CE1 3.64Å; Y30-F74 PolarHBondContact OH-O 2.68Å; L33-F74 HydrophobicContact CB-CE1 4.21Å; L33-F74 HydrophobicContact CB-CZ 3.92Å; K34-F74 HydrophobicContact CB-CD1 3.51Å; K34-F74 HydrophobicContact CB-CE1 3.83Å; K34-F74 HydrophobicContact CB-CG 4.35Å; K34-F74 HydrophobicContact CG-CB 4.27Å; K34-F74 HydrophobicContact CG-CD1 3.82Å; K34-F74 HydrophobicContact CG-CG 4.31Å; V37-F74 HydrophobicContact CB-CD2 4.32Å; V37-F74 HydrophobicContact CB-CE2 4.46Å; V37-F74 HydrophobicContact CG1-CD2 4.22Å; V37-F74 HydrophobicContact CG2-CD2 3.99Å; V37-F74 HydrophobicContact CG2-CE2 3.71Å; V37-F74 HydrophobicContact CG2-CZ 4.42Å; I70-F74 PolarHBondContact O-N 2.99Å; F74-D78 HydrophobicContact CD2-CB 3.81Å; F74-D78 HydrophobicContact CE2-CB 3.63Å; F74-D78 HydrophobicContact CZ-CB 4.25Å; F74-A79 HydrophobicContact CE1-CB 4.02Å; F74-A79 HydrophobicContact CZ-CB 3.91Å; F74-I82 HydrophobicContact CE2-CD1 3.79Å; F74-I82 HydrophobicContact CZ-CD1 3.81Å; F74-F99 HydrophobicContact CD2-CE1 4.32Å; F74-F99 HydrophobicContact CD2-CZ 4.28Å; F74-F99 HydrophobicContact CE2-CE1 4.03Å; F74-F99 HydrophobicContact CE2-CZ 4.06Å
75	S	98.8	Very high	98.7	Very high	31 Å²	31	51.8 Å²	51.8	22%	0.217	30%	0.298	C	S	.	.			trans	-112.1	173.1	-168.6	82.8	0	0	0	0	114.3	Y30 S73 E77 D78 A79	Y30-S75 WeakPolarHBondContact CE2-O 3.48Å; S73-S75 PolarHBondContact O-N 2.66Å; S75-E77 VanDerWaalsContact C-N 3.26Å; S75-E77 WeakPolarHBondContact CB-OE2 3.43Å; S75-E77 PolarHBondContact O-N 3.4Å; S75-E77 PolarHBondContact OG-N 2.92Å; S75-E77 PolarHBondContact OG-OE2 3.25Å; S75-D78 PolarHBondContact N-OD2 3.4Å; S75-D78 PolarHBondContact O-N 3.06Å; S75-D78 PolarHBondContact OG-N 3.44Å; S75-A79 PolarHBondContact O-N 3.11Å
76	E	98.6	Very high	98.6	Very high	153 Å²	153	51.9 Å²	51.9	72%	0.715	29%	0.289	S	S	*	.	H	α-helix	trans	-64.9	-32.8	173.3	-69	-173	-157.9	0	0	111.6	Y30 A79 A80	Y30-E76 HydrophobicContact CD2-CG 4.33Å; E76-A79 PolarHBondContact O-N 3.31Å; E76-A80 WeakPolarHBondContact O-CB 3.35Å; E76-A80 PolarHBondContact O-N 3.02Å
77	E	98.8	Very high	98.5	Very high	139 Å²	139	58.3 Å²	58.3	65%	0.65	31%	0.313	S	S	*	.	H	α-helix	trans	-65.3	-39.6	174.1	-58.2	79.2	-169.5	0	0	111.6	S75 A80 R81	S75-E77 VanDerWaalsContact C-N 3.26Å; S75-E77 WeakPolarHBondContact CB-OE2 3.43Å; S75-E77 PolarHBondContact O-N 3.4Å; S75-E77 PolarHBondContact OG-N 2.92Å; S75-E77 PolarHBondContact OG-OE2 3.25Å; E77-A80 PolarHBondContact O-N 2.71Å; E77-R81 PolarHBondContact O-N 3.05Å
78	D	98.8	Very high	98.5	Very high	18 Å²	18	64.3 Å²	64.3	10%	0.096	35%	0.35	C	S	.	.	H	α-helix	trans	-65	-44.6	174.8	-72.5	-29.8	0	0	0	111.6	F74 S75 A80 R81 I82 F99 K103	F74-D78 HydrophobicContact CD2-CB 3.81Å; F74-D78 HydrophobicContact CE2-CB 3.63Å; F74-D78 HydrophobicContact CZ-CB 4.25Å; S75-D78 PolarHBondContact N-OD2 3.4Å; S75-D78 PolarHBondContact O-N 3.06Å; S75-D78 PolarHBondContact OG-N 3.44Å; D78-A80 VanDerWaalsContact C-N 3.32Å; D78-A80 PolarHBondContact O-N 2.88Å; D78-R81 WeakPolarHBondContact O-CB 3.49Å; D78-R81 PolarHBondContact O-N 2.95Å; D78-R81 VanDerWaalsContact O-N 3.15Å; D78-I82 PolarHBondContact O-N 3.41Å; D78-F99 HydrophobicContact CB-CE2 3.72Å; D78-F99 HydrophobicContact CB-CZ 3.65Å; D78-K103 WeakPolarHBondContact OD1-CE 3.38Å; D78-K103 IonicContact OD1-NZ 3.2Å; D78-K103 PolarHBondContact OD1-NZ 3.32Å; D78-K103 IonicContact OD2-NZ 2.68Å
79	A	98.7	Very high	98.3	Very high	9 Å²	9	63.6 Å²	63.6	7%	0.074	35%	0.348	C	S	.	.	H	α-helix	trans	-60.4	-42.1	173.3	0	0	0	0	0	111.8	Y30 L33 F74 S75 E76 R81 I82 K83	Y30-A79 HydrophobicContact CD2-CB 3.81Å; L33-A79 HydrophobicContact CD1-CB 4.03Å; F74-A79 HydrophobicContact CE1-CB 4.02Å; F74-A79 HydrophobicContact CZ-CB 3.91Å; S75-A79 PolarHBondContact O-N 3.11Å; E76-A79 PolarHBondContact O-N 3.31Å; A79-R81 VanDerWaalsContact C-N 3.3Å; A79-R81 PolarHBondContact O-N 3.2Å; A79-I82 WeakPolarHBondContact O-CB 3.31Å; A79-I82 PolarHBondContact O-N 3.05Å; A79-K83 WeakPolarHBondContact O-CG 3.32Å; A79-K83 PolarHBondContact O-N 3.12Å
80	A	98.7	Very high	98.1	Very high	53 Å²	53	68.5 Å²	68.5	44%	0.438	37%	0.368	S	S	.	.	H	α-helix	trans	-63.8	-34.6	175.1	0	0	0	0	0	112.4	E76 E77 D78 K83 T84	E76-A80 WeakPolarHBondContact O-CB 3.35Å; E76-A80 PolarHBondContact O-N 3.02Å; E77-A80 PolarHBondContact O-N 2.71Å; D78-A80 VanDerWaalsContact C-N 3.32Å; D78-A80 PolarHBondContact O-N 2.88Å; A80-K83 PolarHBondContact O-N 3.1Å; A80-T84 PolarHBondContact O-N 3.21Å; A80-T84 PolarHBondContact O-OG1 3.18Å
81	R	98.7	Very high	98	Very high	106 Å²	106	71.5 Å²	71.5	40%	0.4	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-45.5	172.4	-179.9	58.5	-176.7	166.1	2.7	111.1	E77 D78 A79 K83 T84 I85 F99 E102	E77-R81 PolarHBondContact O-N 3.05Å; D78-R81 WeakPolarHBondContact O-CB 3.49Å; D78-R81 PolarHBondContact O-N 2.95Å; D78-R81 VanDerWaalsContact O-N 3.15Å; A79-R81 VanDerWaalsContact C-N 3.3Å; A79-R81 PolarHBondContact O-N 3.2Å; R81-K83 PolarHBondContact O-N 3.33Å; R81-T84 WeakPolarHBondContact O-CB 3.41Å; R81-T84 PolarHBondContact O-N 2.85Å; R81-T84 VanDerWaalsContact O-N 3.11Å; R81-I85 HydrophobicContact CG-CD1 4.3Å; R81-I85 WeakPolarHBondContact O-CG1 3.48Å; R81-I85 PolarHBondContact O-N 3.44Å; R81-F99 HydrophobicContact CB-CD2 4.31Å; R81-F99 HydrophobicContact CG-CD2 4.04Å; R81-E102 IonicContact CZ-OE1 2.73Å; R81-E102 IonicContact CZ-OE2 3.14Å; R81-E102 IonicContact NE-OE1 2.68Å; R81-E102 IonicContact NE-OE2 2.65Å; R81-E102 PolarHBondContact NE-OE2 3.17Å; R81-E102 VanDerWaalsContact NH2-CD 3.29Å; R81-E102 IonicContact NH2-OE1 3.8Å; R81-E102 PolarHBondContact NH2-OE1 3.13Å; R81-E102 IonicContact NH2-OE2 2.72Å; R81-E102 PolarHBondContact NH2-OE2 2.76Å; R81-E102 VanDerWaalsContact NH2-OE2 3.14Å
82	I	98.8	Very high	97.8	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-59.5	-48.2	175.3	-66.9	159.6	0	0	0	110.8	L33 V37 F74 D78 A79 T84 I85 E86 A95 V96 F99	L33-I82 HydrophobicContact CB-CD1 4.31Å; L33-I82 HydrophobicContact CD1-CB 4.19Å; L33-I82 HydrophobicContact CD1-CD1 4.36Å; L33-I82 HydrophobicContact CD1-CG2 4.08Å; L33-I82 HydrophobicContact CD2-CD1 4.45Å; L33-I82 HydrophobicContact CD2-CG2 3.81Å; V37-I82 HydrophobicContact CG2-CD1 4.33Å; F74-I82 HydrophobicContact CE2-CD1 3.79Å; F74-I82 HydrophobicContact CZ-CD1 3.81Å; D78-I82 PolarHBondContact O-N 3.41Å; A79-I82 WeakPolarHBondContact O-CB 3.31Å; A79-I82 PolarHBondContact O-N 3.05Å; I82-T84 PolarHBondContact O-N 3.31Å; I82-I85 PolarHBondContact O-N 2.87Å; I82-I85 VanDerWaalsContact O-N 3.1Å; I82-E86 WeakPolarHBondContact O-CB 3.49Å; I82-E86 PolarHBondContact O-N 3.48Å; I82-A95 HydrophobicContact CG2-CB 3.83Å; I82-V96 HydrophobicContact CD1-CG2 4.16Å; I82-V96 HydrophobicContact CG2-CG2 3.98Å; I82-F99 HydrophobicContact CD1-CB 4.32Å; I82-F99 HydrophobicContact CD1-CD1 3.89Å; I82-F99 HydrophobicContact CD1-CD2 4.46Å; I82-F99 HydrophobicContact CD1-CE1 4.32Å; I82-F99 HydrophobicContact CD1-CG 3.97Å; I82-F99 HydrophobicContact CG1-CB 3.52Å; I82-F99 HydrophobicContact CG1-CD1 4Å; I82-F99 HydrophobicContact CG1-CD2 3.95Å; I82-F99 HydrophobicContact CG1-CG 3.54Å
83	K	98.5	Very high	97.7	Very high	63 Å²	63	68.4 Å²	68.4	27%	0.274	35%	0.351	S	S	.	.	H	α-helix	trans	-60.8	-29.1	176.7	-64.6	-55.5	-61.5	179.1	0	112.7	E29 L33 A79 A80 R81 E86 R87	E29-K83 HydrophobicContact CG-CD 4.41Å; E29-K83 WeakPolarHBondContact OE1-CE 3.42Å; E29-K83 IonicContact OE1-NZ 3.75Å; E29-K83 PolarHBondContact OE1-NZ 3.1Å; E29-K83 WeakPolarHBondContact OE2-CE 3.35Å; E29-K83 IonicContact OE2-NZ 2.67Å; L33-K83 HydrophobicContact CD1-CD 4.3Å; A79-K83 WeakPolarHBondContact O-CG 3.32Å; A79-K83 PolarHBondContact O-N 3.12Å; A80-K83 PolarHBondContact O-N 3.1Å; R81-K83 PolarHBondContact O-N 3.33Å; K83-E86 VanDerWaalsContact CD-OE2 3.31Å; K83-E86 WeakPolarHBondContact CD-OE2 3.24Å; K83-E86 WeakPolarHBondContact CE-OE2 3.44Å; K83-E86 VanDerWaalsContact NZ-CD 3.28Å; K83-E86 IonicContact NZ-OE1 2.84Å; K83-E86 PolarHBondContact NZ-OE1 3.15Å; K83-E86 IonicContact NZ-OE2 3.83Å; K83-E86 PolarHBondContact NZ-OE2 3.41Å; K83-R87 WeakPolarHBondContact O-CG 3.5Å; K83-R87 PolarHBondContact O-N 2.86Å
84	T	98.6	Very high	97.6	Very high	68 Å²	68	67.9 Å²	67.9	42%	0.417	34%	0.339	S	S	.	.	H	α-helix	trans	-69.1	-45.9	174.2	-59.6	0	0	0	0	111.3	A80 R81 I82 E86 R87	A80-T84 PolarHBondContact O-N 3.21Å; A80-T84 PolarHBondContact O-OG1 3.18Å; R81-T84 WeakPolarHBondContact O-CB 3.41Å; R81-T84 PolarHBondContact O-N 2.85Å; R81-T84 VanDerWaalsContact O-N 3.11Å; I82-T84 PolarHBondContact O-N 3.31Å; T84-E86 VanDerWaalsContact C-N 3.3Å; T84-E86 PolarHBondContact O-N 3.11Å; T84-R87 WeakPolarHBondContact O-CB 3.44Å; T84-R87 PolarHBondContact O-N 3.21Å
85	I	98.4	Very high	97.6	Very high	18 Å²	18	67.5 Å²	67.5	9%	0.092	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-40.1	176.2	-63.6	165.2	0	0	0	110.6	R81 I82 R87 T88 T89 A95 Y98 F99	R81-I85 HydrophobicContact CG-CD1 4.3Å; R81-I85 WeakPolarHBondContact O-CG1 3.48Å; R81-I85 PolarHBondContact O-N 3.44Å; I82-I85 PolarHBondContact O-N 2.87Å; I82-I85 VanDerWaalsContact O-N 3.1Å; I85-R87 PolarHBondContact O-N 3.03Å; I85-T88 WeakPolarHBondContact O-CB 3.4Å; I85-T88 PolarHBondContact O-N 3.49Å; I85-T89 HydrophobicContact CG2-CG2 4.14Å; I85-T89 PolarHBondContact O-N 3.05Å; I85-A95 HydrophobicContact CB-CB 4.03Å; I85-A95 HydrophobicContact CG2-CB 3.83Å; I85-Y98 HydrophobicContact CG2-CD2 4.01Å; I85-Y98 HydrophobicContact CG2-CG 4.39Å; I85-F99 HydrophobicContact CD1-CB 4.04Å
86	E	98	Very high	97.6	Very high	37 Å²	37	66 Å²	66	17%	0.173	33%	0.327	C	S	.	.	H	α-helix	trans	-59.8	-29.8	-179.7	-169.6	-175.4	162	0	0	113.2	I82 K83 T84 T88 T89 N90 A95	I82-E86 WeakPolarHBondContact O-CB 3.49Å; I82-E86 PolarHBondContact O-N 3.48Å; K83-E86 VanDerWaalsContact CD-OE2 3.31Å; K83-E86 WeakPolarHBondContact CD-OE2 3.24Å; K83-E86 WeakPolarHBondContact CE-OE2 3.44Å; K83-E86 VanDerWaalsContact NZ-CD 3.28Å; K83-E86 IonicContact NZ-OE1 2.84Å; K83-E86 PolarHBondContact NZ-OE1 3.15Å; K83-E86 IonicContact NZ-OE2 3.83Å; K83-E86 PolarHBondContact NZ-OE2 3.41Å; T84-E86 VanDerWaalsContact C-N 3.3Å; T84-E86 PolarHBondContact O-N 3.11Å; E86-T88 PolarHBondContact O-N 3.43Å; E86-T88 VanDerWaalsContact O-N 3.14Å; E86-T89 WeakPolarHBondContact CA-OG1 3.49Å; E86-T89 PolarHBondContact O-N 2.95Å; E86-N90 WeakPolarHBondContact O-CA 3.48Å; E86-N90 PolarHBondContact O-N 2.98Å; E86-A95 HydrophobicContact CB-CB 3.82Å
87	R	97	Very high	97.6	Very high	216 Å²	216	59.3 Å²	59.3	82%	0.815	30%	0.296	S	S	*	.	H	α-helix	trans	-59.5	-25.5	174.4	-68.2	176.9	-178.2	-174.6	0.8	112.9	K83 T84 I85	K83-R87 WeakPolarHBondContact O-CG 3.5Å; K83-R87 PolarHBondContact O-N 2.86Å; T84-R87 WeakPolarHBondContact O-CB 3.44Å; T84-R87 PolarHBondContact O-N 3.21Å; I85-R87 PolarHBondContact O-N 3.03Å
88	T	96.8	Very high	97.5	Very high	127 Å²	127	57.4 Å²	57.4	78%	0.779	28%	0.283	S	S	*	.	H	α-helix	trans	-92.6	-43	177	-55.8	0	0	0	0	111.6	I85 E86	I85-T88 WeakPolarHBondContact O-CB 3.4Å; I85-T88 PolarHBondContact O-N 3.49Å; E86-T88 PolarHBondContact O-N 3.43Å; E86-T88 VanDerWaalsContact O-N 3.14Å
89	T	95.1	Very high	97.5	Very high	42 Å²	42	56.6 Å²	56.6	26%	0.258	28%	0.279	S	S	.	.	H	α-helix	trans	-78.7	-24.9	-176.1	60.8	0	0	0	0	113.2	I85 E86 H91 K94 Y98	I85-T89 HydrophobicContact CG2-CG2 4.14Å; I85-T89 PolarHBondContact O-N 3.05Å; E86-T89 WeakPolarHBondContact CA-OG1 3.49Å; E86-T89 PolarHBondContact O-N 2.95Å; T89-H91 PolarHBondContact O-N 3.35Å; T89-H91 VanDerWaalsContact O-N 3.14Å; T89-H91 PolarHBondContact OG1-N 3.37Å; T89-H91 PolarHBondContact OG1-O 2.8Å; T89-K94 HydrophobicContact CG2-CG 4.32Å; T89-Y98 HydrophobicContact CG2-CD2 3.8Å; T89-Y98 HydrophobicContact CG2-CE2 3.68Å
90	N	95.7	Very high	97.5	Very high	151 Å²	151	56.3 Å²	56.3	81%	0.807	28%	0.276	S	S	*	.	S	Bend	trans	49.9	30.4	-167.1	-161.4	40.3	0	0	0	112.5	E86	E86-N90 WeakPolarHBondContact O-CA 3.48Å; E86-N90 PolarHBondContact O-N 2.98Å
91	H	95.5	Very high	97.5	Very high	75 Å²	75	55.2 Å²	55.2	35%	0.347	26%	0.261	S	S	.	.			trans	-149	114.1	-179.4	-171.1	-27.4	0	0	0	109.6	T89 V93 K94 A95 S123	T89-H91 PolarHBondContact O-N 3.35Å; T89-H91 VanDerWaalsContact O-N 3.14Å; T89-H91 PolarHBondContact OG1-N 3.37Å; T89-H91 PolarHBondContact OG1-O 2.8Å; H91-V93 PolarHBondContact ND1-N 2.9Å; H91-K94 HydrophobicContact CB-CB 3.95Å; H91-K94 PolarHBondContact O-N 2.88Å; H91-A95 PolarHBondContact O-N 3.43Å; H91-S123 PolarHBondContact CE1-OG 3.5Å; H91-S123 PolarHBondContact NE2-OG 2.89Å
92	D	95.3	Very high	97.5	Very high	43 Å²	43	54.3 Å²	54.3	23%	0.23	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-50.1	-174.2	60.1	-6.7	0	0	0	114.3	R36 K94 A95 V96	R36-D92 IonicContact CZ-OD2 2.63Å; R36-D92 IonicContact NH1-OD2 2.79Å; R36-D92 PolarHBondContact NH1-OD2 2.96Å; R36-D92 IonicContact NH2-OD1 2.79Å; R36-D92 IonicContact NH2-OD2 2.79Å; R36-D92 PolarHBondContact NH2-OD2 2.79Å; D92-K94 VanDerWaalsContact C-N 3.33Å; D92-K94 PolarHBondContact O-N 2.68Å; D92-A95 WeakPolarHBondContact O-CB 3.48Å; D92-A95 PolarHBondContact O-N 3.3Å; D92-A95 VanDerWaalsContact O-N 3.12Å; D92-V96 PolarHBondContact O-N 3.36Å; D92-V96 VanDerWaalsContact O-N 3.11Å
93	V	95.8	Very high	97.5	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-39.7	177.9	-178.5	0	0	0	0	111	H91 A95 V96 E97 I126 N127	H91-V93 PolarHBondContact ND1-N 2.9Å; V93-A95 PolarHBondContact O-N 2.93Å; V93-V96 WeakPolarHBondContact O-CB 3.47Å; V93-V96 PolarHBondContact O-N 2.96Å; V93-E97 PolarHBondContact O-N 2.69Å; V93-I126 HydrophobicContact CG1-CB 4.38Å; V93-I126 HydrophobicContact CG1-CG1 4.19Å; V93-N127 WeakPolarHBondContact CG2-OD1 3.32Å
94	K	96.6	Very high	97.5	Very high	68 Å²	68	54.5 Å²	54.5	30%	0.296	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-33.5	175	-168.5	62.2	179.7	176	0	112.1	T89 H91 D92 E97 Y98	T89-K94 HydrophobicContact CG2-CG 4.32Å; H91-K94 HydrophobicContact CB-CB 3.95Å; H91-K94 PolarHBondContact O-N 2.88Å; D92-K94 VanDerWaalsContact C-N 3.33Å; D92-K94 PolarHBondContact O-N 2.68Å; K94-E97 VanDerWaalsContact CD-OE2 3.31Å; K94-E97 WeakPolarHBondContact CD-OE2 3.47Å; K94-E97 WeakPolarHBondContact CE-OE2 3.14Å; K94-E97 IonicContact NZ-OE1 2.66Å; K94-E97 PolarHBondContact NZ-OE1 3.18Å; K94-E97 IonicContact NZ-OE2 3.5Å; K94-E97 PolarHBondContact NZ-OE2 3.47Å; K94-E97 WeakPolarHBondContact O-CB 3.46Å; K94-E97 PolarHBondContact O-N 3.4Å; K94-Y98 HydrophobicContact CD-CE2 4.24Å; K94-Y98 HydrophobicContact CG-CD2 4.2Å; K94-Y98 HydrophobicContact CG-CE2 3.77Å; K94-Y98 VanDerWaalsContact O-CD2 3.24Å; K94-Y98 WeakPolarHBondContact O-CD2 3.34Å; K94-Y98 PolarHBondContact O-N 2.89Å; K94-Y98 VanDerWaalsContact O-N 3.16Å
95	A	98.5	Very high	97.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.8	-34.7	174.1	0	0	0	0	0	112.6	I82 I85 E86 H91 D92 V93 Y98 F99	I82-A95 HydrophobicContact CG2-CB 3.83Å; I85-A95 HydrophobicContact CB-CB 4.03Å; I85-A95 HydrophobicContact CG2-CB 3.83Å; E86-A95 HydrophobicContact CB-CB 3.82Å; H91-A95 PolarHBondContact O-N 3.43Å; D92-A95 WeakPolarHBondContact O-CB 3.48Å; D92-A95 PolarHBondContact O-N 3.3Å; D92-A95 VanDerWaalsContact O-N 3.12Å; V93-A95 PolarHBondContact O-N 2.93Å; A95-Y98 PolarHBondContact O-N 2.88Å; A95-F99 WeakPolarHBondContact O-CB 3.25Å; A95-F99 PolarHBondContact O-N 3.08Å
96	V	98.6	Very high	97.3	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-44.3	171.7	178.4	0	0	0	0	111.1	L33 R36 V37 E40 I82 D92 V93 Y98 F99 L100	L33-V96 HydrophobicContact CD2-CG2 3.75Å; R36-V96 HydrophobicContact CB-CG1 4.36Å; R36-V96 HydrophobicContact CB-CG2 4.27Å; V37-V96 HydrophobicContact CG2-CG1 3.85Å; E40-V96 HydrophobicContact CG-CG1 4.28Å; I82-V96 HydrophobicContact CD1-CG2 4.16Å; I82-V96 HydrophobicContact CG2-CG2 3.98Å; D92-V96 PolarHBondContact O-N 3.36Å; D92-V96 VanDerWaalsContact O-N 3.11Å; V93-V96 WeakPolarHBondContact O-CB 3.47Å; V93-V96 PolarHBondContact O-N 2.96Å; V96-Y98 VanDerWaalsContact C-N 3.34Å; V96-Y98 PolarHBondContact O-N 3.32Å; V96-F99 WeakPolarHBondContact O-CB 3.32Å; V96-F99 PolarHBondContact O-N 3.06Å; V96-L100 HydrophobicContact CG1-CD1 4.27Å; V96-L100 WeakPolarHBondContact O-CG 3.46Å; V96-L100 PolarHBondContact O-N 2.66Å
97	E	98.1	Very high	97.3	Very high	12 Å²	12	60.5 Å²	60.5	6%	0.056	29%	0.294	C	S	.	.	H	α-helix	trans	-55.2	-50	175.8	-175.8	-164.1	130.9	0	0	110.9	V93 K94 L100 K101 I117 H118	V93-E97 PolarHBondContact O-N 2.69Å; K94-E97 VanDerWaalsContact CD-OE2 3.31Å; K94-E97 WeakPolarHBondContact CD-OE2 3.47Å; K94-E97 WeakPolarHBondContact CE-OE2 3.14Å; K94-E97 IonicContact NZ-OE1 2.66Å; K94-E97 PolarHBondContact NZ-OE1 3.18Å; K94-E97 IonicContact NZ-OE2 3.5Å; K94-E97 PolarHBondContact NZ-OE2 3.47Å; K94-E97 WeakPolarHBondContact O-CB 3.46Å; K94-E97 PolarHBondContact O-N 3.4Å; E97-L100 PolarHBondContact O-N 2.91Å; E97-K101 WeakPolarHBondContact O-CG 3Å; E97-K101 PolarHBondContact O-N 3.23Å; E97-K101 IonicContact OE1-NZ 2.96Å; E97-K101 PolarHBondContact OE1-NZ 3.08Å; E97-I117 HydrophobicContact CG-CG2 3.99Å; E97-H118 HydrophobicContact CG-CB 4.04Å
98	Y	98.1	Very high	97.4	Very high	98 Å²	98	55.3 Å²	55.3	38%	0.384	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-40.8	178.3	-75.1	-51.5	0	0	0	113.2	I85 T89 K94 A95 V96 L100 K101 E102	I85-Y98 HydrophobicContact CG2-CD2 4.01Å; I85-Y98 HydrophobicContact CG2-CG 4.39Å; T89-Y98 HydrophobicContact CG2-CD2 3.8Å; T89-Y98 HydrophobicContact CG2-CE2 3.68Å; K94-Y98 HydrophobicContact CD-CE2 4.24Å; K94-Y98 HydrophobicContact CG-CD2 4.2Å; K94-Y98 HydrophobicContact CG-CE2 3.77Å; K94-Y98 VanDerWaalsContact O-CD2 3.24Å; K94-Y98 WeakPolarHBondContact O-CD2 3.34Å; K94-Y98 PolarHBondContact O-N 2.89Å; K94-Y98 VanDerWaalsContact O-N 3.16Å; A95-Y98 PolarHBondContact O-N 2.88Å; V96-Y98 VanDerWaalsContact C-N 3.34Å; V96-Y98 PolarHBondContact O-N 3.32Å; Y98-L100 VanDerWaalsContact C-N 3.28Å; Y98-L100 PolarHBondContact O-N 3.45Å; Y98-K101 HydrophobicContact CD1-CD 4.42Å; Y98-K101 PolarHBondContact O-N 2.96Å; Y98-E102 WeakPolarHBondContact O-CG 3.36Å; Y98-E102 PolarHBondContact O-N 2.94Å
99	F	98.8	Very high	97.4	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-56.7	-43.7	174.2	161.6	-98.1	0	0	0	111.7	V37 I70 F74 D78 R81 I82 I85 A95 V96 E102 K103	V37-F99 HydrophobicContact CG2-CD1 4.14Å; V37-F99 HydrophobicContact CG2-CE1 3.91Å; I70-F99 HydrophobicContact CG2-CE1 4.5Å; F74-F99 HydrophobicContact CD2-CE1 4.32Å; F74-F99 HydrophobicContact CD2-CZ 4.28Å; F74-F99 HydrophobicContact CE2-CE1 4.03Å; F74-F99 HydrophobicContact CE2-CZ 4.06Å; D78-F99 HydrophobicContact CB-CE2 3.72Å; D78-F99 HydrophobicContact CB-CZ 3.65Å; R81-F99 HydrophobicContact CB-CD2 4.31Å; R81-F99 HydrophobicContact CG-CD2 4.04Å; I82-F99 HydrophobicContact CD1-CB 4.32Å; I82-F99 HydrophobicContact CD1-CD1 3.89Å; I82-F99 HydrophobicContact CD1-CD2 4.46Å; I82-F99 HydrophobicContact CD1-CE1 4.32Å; I82-F99 HydrophobicContact CD1-CG 3.97Å; I82-F99 HydrophobicContact CG1-CB 3.52Å; I82-F99 HydrophobicContact CG1-CD1 4Å; I82-F99 HydrophobicContact CG1-CD2 3.95Å; I82-F99 HydrophobicContact CG1-CG 3.54Å; I85-F99 HydrophobicContact CD1-CB 4.04Å; A95-F99 WeakPolarHBondContact O-CB 3.25Å; A95-F99 PolarHBondContact O-N 3.08Å; V96-F99 WeakPolarHBondContact O-CB 3.32Å; V96-F99 PolarHBondContact O-N 3.06Å; F99-E102 WeakPolarHBondContact O-CB 3.31Å; F99-E102 PolarHBondContact O-N 3.44Å; F99-K103 HydrophobicContact CD2-CG 4.31Å; F99-K103 HydrophobicContact CE1-CG 4.1Å; F99-K103 HydrophobicContact CE2-CD 4.22Å; F99-K103 HydrophobicContact CE2-CG 3.84Å; F99-K103 HydrophobicContact CZ-CD 4.19Å; F99-K103 VanDerWaalsContact CZ-CE 3.42Å; F99-K103 HydrophobicContact CZ-CG 3.72Å; F99-K103 WeakPolarHBondContact O-CG 3.29Å; F99-K103 PolarHBondContact O-N 3.08Å
100	L	98.7	Very high	97.6	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-67.1	-41.2	177.6	-69.8	175.7	0	0	0	111.7	V37 E40 V41 I70 V96 E97 Y98 E102 K103 V104 I117	V37-L100 HydrophobicContact CG1-CD2 4.18Å; V37-L100 HydrophobicContact CG2-CD2 4.49Å; E40-L100 HydrophobicContact CB-CD1 3.32Å; E40-L100 HydrophobicContact CG-CD1 3.98Å; V41-L100 HydrophobicContact CG2-CD2 4.08Å; I70-L100 HydrophobicContact CG2-CD2 3.93Å; V96-L100 HydrophobicContact CG1-CD1 4.27Å; V96-L100 WeakPolarHBondContact O-CG 3.46Å; V96-L100 PolarHBondContact O-N 2.66Å; E97-L100 PolarHBondContact O-N 2.91Å; Y98-L100 VanDerWaalsContact C-N 3.28Å; Y98-L100 PolarHBondContact O-N 3.45Å; L100-E102 VanDerWaalsContact C-N 3.27Å; L100-E102 PolarHBondContact O-N 3.23Å; L100-K103 PolarHBondContact O-N 2.71Å; L100-K103 VanDerWaalsContact O-N 3.13Å; L100-V104 WeakPolarHBondContact O-CG1 3.24Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.38Å; L100-I117 HydrophobicContact CB-CD1 3.94Å; L100-I117 HydrophobicContact CB-CG2 4.17Å; L100-I117 HydrophobicContact CD1-CG2 4.11Å
101	K	98.6	Very high	97.7	Very high	30 Å²	30	48 Å²	48	13%	0.13	24%	0.237	C	C	.	.	H	α-helix	trans	-56.7	-40.5	173.1	-72	-176.7	175.1	-173.5	0	112	E97 Y98 A105 S114 E115 I117	E97-K101 WeakPolarHBondContact O-CG 3Å; E97-K101 PolarHBondContact O-N 3.23Å; E97-K101 IonicContact OE1-NZ 2.96Å; E97-K101 PolarHBondContact OE1-NZ 3.08Å; Y98-K101 HydrophobicContact CD1-CD 4.42Å; Y98-K101 PolarHBondContact O-N 2.96Å; K101-A105 PolarHBondContact O-N 2.87Å; K101-S114 WeakPolarHBondContact CE-O 3.49Å; K101-E115 WeakPolarHBondContact CE-OE1 3.34Å; K101-E115 IonicContact NZ-OE1 3.59Å; K101-E115 PolarHBondContact NZ-OE1 3.27Å; K101-E115 IonicContact NZ-OE2 2.68Å; K101-E115 PolarHBondContact NZ-OE2 3.14Å; K101-I117 HydrophobicContact CG-CD1 3.9Å
102	E	98.5	Very high	97.9	Very high	86 Å²	86	48.5 Å²	48.5	40%	0.402	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-47.5	173.1	-70.5	179.1	177	0	0	111.8	R81 Y98 F99 L100 V104 A105	R81-E102 IonicContact CZ-OE1 2.73Å; R81-E102 IonicContact CZ-OE2 3.14Å; R81-E102 IonicContact NE-OE1 2.68Å; R81-E102 IonicContact NE-OE2 2.65Å; R81-E102 PolarHBondContact NE-OE2 3.17Å; R81-E102 VanDerWaalsContact NH2-CD 3.29Å; R81-E102 IonicContact NH2-OE1 3.8Å; R81-E102 PolarHBondContact NH2-OE1 3.13Å; R81-E102 IonicContact NH2-OE2 2.72Å; R81-E102 PolarHBondContact NH2-OE2 2.76Å; R81-E102 VanDerWaalsContact NH2-OE2 3.14Å; Y98-E102 WeakPolarHBondContact O-CG 3.36Å; Y98-E102 PolarHBondContact O-N 2.94Å; F99-E102 WeakPolarHBondContact O-CB 3.31Å; F99-E102 PolarHBondContact O-N 3.44Å; L100-E102 VanDerWaalsContact C-N 3.27Å; L100-E102 PolarHBondContact O-N 3.23Å; E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 2.94Å; E102-A105 WeakPolarHBondContact O-CB 3.3Å; E102-A105 PolarHBondContact O-N 2.92Å
103	K	98.3	Very high	98	Very high	65 Å²	65	46.7 Å²	46.7	28%	0.283	24%	0.244	S	C	.	.	H	α-helix	trans	-62.9	-33.6	-178.1	-74.9	-72.7	-177.9	172.4	0	113.3	Y66 I70 D78 F99 L100	Y66-K103 WeakPolarHBondContact CE1-O 3.12Å; Y66-K103 PolarHBondContact OH-O 2.94Å; I70-K103 HydrophobicContact CD1-CB 3.84Å; I70-K103 HydrophobicContact CG1-CB 4.47Å; D78-K103 WeakPolarHBondContact OD1-CE 3.38Å; D78-K103 IonicContact OD1-NZ 3.2Å; D78-K103 PolarHBondContact OD1-NZ 3.32Å; D78-K103 IonicContact OD2-NZ 2.68Å; F99-K103 HydrophobicContact CD2-CG 4.31Å; F99-K103 HydrophobicContact CE1-CG 4.1Å; F99-K103 HydrophobicContact CE2-CD 4.22Å; F99-K103 HydrophobicContact CE2-CG 3.84Å; F99-K103 HydrophobicContact CZ-CD 4.19Å; F99-K103 VanDerWaalsContact CZ-CE 3.42Å; F99-K103 HydrophobicContact CZ-CG 3.72Å; F99-K103 WeakPolarHBondContact O-CG 3.29Å; F99-K103 PolarHBondContact O-N 3.08Å; L100-K103 PolarHBondContact O-N 2.71Å; L100-K103 VanDerWaalsContact O-N 3.13Å
104	V	98.4	Very high	98.1	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-89.9	-7.7	-177.8	-57.8	0	0	0	0	114.1	L67 I70 L100 E102 E106 I107 L110 I117	L67-V104 HydrophobicContact CD2-CG1 4.03Å; I70-V104 HydrophobicContact CD1-CG1 4.31Å; L100-V104 WeakPolarHBondContact O-CG1 3.24Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.38Å; E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 2.94Å; V104-E106 VanDerWaalsContact C-N 3.27Å; V104-E106 PolarHBondContact O-N 3.48Å; V104-I107 PolarHBondContact O-N 3.35Å; V104-I107 VanDerWaalsContact O-N 3.1Å; V104-L110 HydrophobicContact CB-CB 3.72Å; V104-L110 HydrophobicContact CB-CD1 4.39Å; V104-L110 HydrophobicContact CG1-CB 4.14Å; V104-L110 HydrophobicContact CG1-CD1 4.13Å; V104-L110 HydrophobicContact CG2-CB 4.47Å; V104-I117 HydrophobicContact CG2-CD1 4.04Å
105	A	98.1	Very high	98.2	Very high	40 Å²	40	50.2 Å²	50.2	33%	0.331	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33	-173.8	0	0	0	0	0	113.8	K101 E102 I107	K101-A105 PolarHBondContact O-N 2.87Å; E102-A105 WeakPolarHBondContact O-CB 3.3Å; E102-A105 PolarHBondContact O-N 2.92Å; A105-I107 VanDerWaalsContact C-N 3.26Å; A105-I107 PolarHBondContact O-N 3.32Å
106	E	95.6	Very high	98.2	Very high	162 Å²	162	52.2 Å²	52.2	76%	0.757	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-12	-179.7	-61.9	-61.8	132.4	0	0	113.5	V104 P108	V104-E106 VanDerWaalsContact C-N 3.27Å; V104-E106 PolarHBondContact O-N 3.48Å; E106-P108 WeakPolarHBondContact O-CD 3.4Å
107	I	97.9	Very high	98.2	Very high	48 Å²	48	52.6 Å²	52.6	25%	0.246	27%	0.274	C	S	.	.	S	Bend	trans	-107.8	103	-179	-51.3	-57.1	0	0	0	108.2	Y66 V104 A105 E109 L110 H111	Y66-I107 HydrophobicContact CD1-CG1 3.83Å; Y66-I107 HydrophobicContact CD2-CD1 4.05Å; Y66-I107 HydrophobicContact CD2-CG1 4.08Å; Y66-I107 HydrophobicContact CE1-CG1 3.74Å; Y66-I107 HydrophobicContact CE2-CD1 4.01Å; Y66-I107 HydrophobicContact CE2-CG1 4.03Å; Y66-I107 HydrophobicContact CG-CD1 4.38Å; Y66-I107 HydrophobicContact CG-CG1 3.98Å; V104-I107 PolarHBondContact O-N 3.35Å; V104-I107 VanDerWaalsContact O-N 3.1Å; A105-I107 VanDerWaalsContact C-N 3.26Å; A105-I107 PolarHBondContact O-N 3.32Å; I107-E109 VanDerWaalsContact C-N 3.26Å; I107-E109 PolarHBondContact O-N 3.45Å; I107-E109 VanDerWaalsContact O-N 3.11Å; I107-L110 HydrophobicContact CB-CB 4.15Å; I107-L110 HydrophobicContact CB-CD1 4.01Å; I107-L110 HydrophobicContact CB-CG 4.14Å; I107-L110 HydrophobicContact CG1-CD1 4.29Å; I107-L110 HydrophobicContact CG2-CB 4.24Å; I107-L110 HydrophobicContact CG2-CD1 3.92Å; I107-L110 HydrophobicContact CG2-CG 3.81Å; I107-L110 PolarHBondContact O-N 3.41Å; I107-H111 WeakPolarHBondContact O-CB 3.29Å; I107-H111 PolarHBondContact O-N 3.04Å
108	P	98	Very high	98.2	Very high	106 Å²	106	53.4 Å²	53.4	69%	0.688	28%	0.277	S	S	*	.	H	α-helix	trans	-54.5	-39.5	-170.4	-28.7	35.1	0	0	0	114.3	E106 L110 H111 A112	E106-P108 WeakPolarHBondContact O-CD 3.4Å; P108-L110 PolarHBondContact O-N 2.91Å; P108-H111 PolarHBondContact O-N 3.5Å; P108-A112 WeakPolarHBondContact O-CB 3.36Å; P108-A112 PolarHBondContact O-N 2.72Å
109	E	98.1	Very high	98.3	Very high	72 Å²	72	53.3 Å²	53.3	34%	0.336	28%	0.279	S	S	.	.	H	α-helix	trans	-60.4	-42.6	177.2	-175	179.7	154.7	0	0	112.4	F59 A60 A63 I107	F59-E109 WeakPolarHBondContact CA-OE1 3.39Å; F59-E109 HydrophobicContact CD1-CG 4.29Å; A60-E109 PolarHBondContact N-OE1 3.22Å; A63-E109 HydrophobicContact CB-CG 4.46Å; I107-E109 VanDerWaalsContact C-N 3.26Å; I107-E109 PolarHBondContact O-N 3.45Å; I107-E109 VanDerWaalsContact O-N 3.11Å
110	L	98.5	Very high	98.2	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-80.8	-37.3	179.4	-59.4	179	0	0	0	111.7	F59 A63 Y66 L67 V104 I107 P108 A112 V113 S114	F59-L110 HydrophobicContact CD1-CD2 3.97Å; F59-L110 HydrophobicContact CD2-CD2 4.28Å; F59-L110 HydrophobicContact CE1-CD2 3.69Å; F59-L110 HydrophobicContact CE2-CD2 4.01Å; F59-L110 HydrophobicContact CG-CD2 4.28Å; F59-L110 HydrophobicContact CZ-CD2 3.71Å; A63-L110 HydrophobicContact CB-CD2 4Å; A63-L110 HydrophobicContact CB-CG 4.25Å; Y66-L110 HydrophobicContact CD1-CD1 3.66Å; Y66-L110 HydrophobicContact CE1-CD1 4.38Å; Y66-L110 HydrophobicContact CG-CD1 4.43Å; L67-L110 HydrophobicContact CD1-CD2 3.84Å; L67-L110 HydrophobicContact CD2-CD1 3.88Å; L67-L110 HydrophobicContact CD2-CD2 4.37Å; L67-L110 HydrophobicContact CG-CD1 3.87Å; L67-L110 HydrophobicContact CG-CD2 4.04Å; V104-L110 HydrophobicContact CB-CB 3.72Å; V104-L110 HydrophobicContact CB-CD1 4.39Å; V104-L110 HydrophobicContact CG1-CB 4.14Å; V104-L110 HydrophobicContact CG1-CD1 4.13Å; V104-L110 HydrophobicContact CG2-CB 4.47Å; I107-L110 HydrophobicContact CB-CB 4.15Å; I107-L110 HydrophobicContact CB-CD1 4.01Å; I107-L110 HydrophobicContact CB-CG 4.14Å; I107-L110 HydrophobicContact CG1-CD1 4.29Å; I107-L110 HydrophobicContact CG2-CB 4.24Å; I107-L110 HydrophobicContact CG2-CD1 3.92Å; I107-L110 HydrophobicContact CG2-CG 3.81Å; I107-L110 PolarHBondContact O-N 3.41Å; P108-L110 PolarHBondContact O-N 2.91Å; L110-A112 VanDerWaalsContact C-N 3.28Å; L110-A112 PolarHBondContact O-N 3.35Å; L110-V113 CarbonylContact O-C 3.54Å; L110-V113 VanDerWaalsContact O-CG2 3.29Å; L110-V113 WeakPolarHBondContact O-CG2 3.38Å; L110-V113 PolarHBondContact O-N 2.97Å; L110-V113 VanDerWaalsContact O-N 3.15Å; L110-S114 PolarHBondContact O-N 3.07Å; L110-S114 VanDerWaalsContact O-N 3.16Å
111	H	98.5	Very high	98.2	Very high	96 Å²	96	57.8 Å²	57.8	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-60.6	-39.5	177.1	-176.1	55.3	0	0	0	111.7	I107 P108 V113 S114	I107-H111 WeakPolarHBondContact O-CB 3.29Å; I107-H111 PolarHBondContact O-N 3.04Å; P108-H111 PolarHBondContact O-N 3.5Å; H111-V113 PolarHBondContact O-N 3.39Å; H111-V113 VanDerWaalsContact O-N 3.12Å; H111-S114 VanDerWaalsContact O-CB 3.26Å; H111-S114 WeakPolarHBondContact O-CB 3.41Å; H111-S114 PolarHBondContact O-N 3.43Å; H111-S114 PolarHBondContact O-OG 3.25Å
112	A	98.4	Very high	98.2	Very high	85 Å²	85	58.1 Å²	58.1	70%	0.702	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.7	177.4	0	0	0	0	0	113.8	P108 L110	P108-A112 WeakPolarHBondContact O-CB 3.36Å; P108-A112 PolarHBondContact O-N 2.72Å; L110-A112 VanDerWaalsContact C-N 3.28Å; L110-A112 PolarHBondContact O-N 3.35Å
113	V	98.5	Very high	98.2	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.024	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	14.9	179.1	-59.2	0	0	0	0	112.6	L44 V56 F59 L110 H111 E115 F116	L44-V113 HydrophobicContact CD1-CG2 4.33Å; V56-V113 HydrophobicContact CB-CG1 4.48Å; V56-V113 HydrophobicContact CG1-CB 4.2Å; V56-V113 HydrophobicContact CG1-CG1 4.09Å; V56-V113 HydrophobicContact CG1-CG2 4.38Å; F59-V113 HydrophobicContact CE1-CG2 3.76Å; F59-V113 HydrophobicContact CZ-CG2 3.76Å; L110-V113 CarbonylContact O-C 3.54Å; L110-V113 VanDerWaalsContact O-CG2 3.29Å; L110-V113 WeakPolarHBondContact O-CG2 3.38Å; L110-V113 PolarHBondContact O-N 2.97Å; L110-V113 VanDerWaalsContact O-N 3.15Å; H111-V113 PolarHBondContact O-N 3.39Å; H111-V113 VanDerWaalsContact O-N 3.12Å; V113-E115 PolarHBondContact O-N 3.48Å; V113-F116 WeakPolarHBondContact O-CB 3.31Å; V113-F116 PolarHBondContact O-N 2.78Å
114	S	98.1	Very high	98.2	Very high	12 Å²	12	56.7 Å²	56.7	8%	0.084	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-60	-30.2	-175.8	58	0	0	0	0	113.5	K101 L110 H111 F116 I117	K101-S114 WeakPolarHBondContact CE-O 3.49Å; L110-S114 PolarHBondContact O-N 3.07Å; L110-S114 VanDerWaalsContact O-N 3.16Å; H111-S114 VanDerWaalsContact O-CB 3.26Å; H111-S114 WeakPolarHBondContact O-CB 3.41Å; H111-S114 PolarHBondContact O-N 3.43Å; H111-S114 PolarHBondContact O-OG 3.25Å; S114-F116 PolarHBondContact O-N 3.32Å; S114-I117 WeakPolarHBondContact O-CB 3.13Å; S114-I117 WeakPolarHBondContact O-CG1 3.35Å; S114-I117 PolarHBondContact O-N 2.65Å; S114-I117 VanDerWaalsContact O-N 3.14Å
115	E	98.3	Very high	98.2	Very high	132 Å²	132	56.6 Å²	56.6	62%	0.617	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-71.5	-8.3	174.2	-65.5	-55.4	125.7	0	0	114.1	K101 V113	K101-E115 WeakPolarHBondContact CE-OE1 3.34Å; K101-E115 IonicContact NZ-OE1 3.59Å; K101-E115 PolarHBondContact NZ-OE1 3.27Å; K101-E115 IonicContact NZ-OE2 2.68Å; K101-E115 PolarHBondContact NZ-OE2 3.14Å; V113-E115 PolarHBondContact O-N 3.48Å
116	F	98.7	Very high	98.2	Very high	42 Å²	42	54.7 Å²	54.7	18%	0.184	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-91.9	-2.2	171.1	-74.4	-97.1	0	0	0	113.4	L44 L47 E55 V56 V113 S114 H118 F119	L44-F116 HydrophobicContact CD1-CB 4.08Å; L47-F116 HydrophobicContact CD1-CB 4.42Å; E55-F116 HydrophobicContact CB-CE1 4.16Å; E55-F116 HydrophobicContact CB-CE2 3.96Å; E55-F116 HydrophobicContact CB-CZ 3.44Å; E55-F116 VanDerWaalsContact CB-CZ 3.44Å; E55-F116 HydrophobicContact CG-CZ 4.18Å; V56-F116 HydrophobicContact CG2-CB 3.79Å; V56-F116 HydrophobicContact CG2-CD1 3.43Å; V56-F116 VanDerWaalsContact CG2-CD1 3.43Å; V56-F116 HydrophobicContact CG2-CD2 3.85Å; V56-F116 HydrophobicContact CG2-CE1 3.9Å; V56-F116 HydrophobicContact CG2-CE2 4.28Å; V56-F116 HydrophobicContact CG2-CG 3.4Å; V56-F116 HydrophobicContact CG2-CZ 4.3Å; V113-F116 WeakPolarHBondContact O-CB 3.31Å; V113-F116 PolarHBondContact O-N 2.78Å; S114-F116 PolarHBondContact O-N 3.32Å; F116-H118 PolarHBondContact O-N 3.14Å; F116-F119 HydrophobicContact CB-CB 4.3Å; F116-F119 HydrophobicContact CD1-CB 4.08Å; F116-F119 HydrophobicContact CD1-CD1 4.24Å; F116-F119 AromaticContact CD1-CD2 3.62Å; F116-F119 HydrophobicContact CD1-CD2 3.62Å; F116-F119 HydrophobicContact CD1-CE2 4.07Å; F116-F119 AromaticContact CD1-CG 3.71Å; F116-F119 HydrophobicContact CD1-CG 3.71Å; F116-F119 AromaticContact CE1-CD2 3.86Å; F116-F119 HydrophobicContact CE1-CD2 3.86Å; F116-F119 HydrophobicContact CE1-CE1 4.5Å; F116-F119 AromaticContact CE1-CE2 3.81Å; F116-F119 HydrophobicContact CE1-CE2 3.81Å; F116-F119 HydrophobicContact CE1-CG 4.24Å; F116-F119 HydrophobicContact CE1-CZ 4.14Å; F116-F119 HydrophobicContact CG-CD2 4.39Å; F116-F119 VanDerWaalsContact O-CB 3.22Å; F116-F119 WeakPolarHBondContact O-CB 3.49Å; F116-F119 PolarHBondContact O-N 3.46Å; F116-F119 VanDerWaalsContact O-N 3.14Å
117	I	98.6	Very high	98.4	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.041	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	132.9	164.9	-63.3	167.4	0	0	0	107.5	L44 E97 L100 K101 V104 S114 F119	L44-I117 HydrophobicContact CD2-CG1 4Å; E97-I117 HydrophobicContact CG-CG2 3.99Å; L100-I117 HydrophobicContact CB-CD1 3.94Å; L100-I117 HydrophobicContact CB-CG2 4.17Å; L100-I117 HydrophobicContact CD1-CG2 4.11Å; K101-I117 HydrophobicContact CG-CD1 3.9Å; V104-I117 HydrophobicContact CG2-CD1 4.04Å; S114-I117 WeakPolarHBondContact O-CB 3.13Å; S114-I117 WeakPolarHBondContact O-CG1 3.35Å; S114-I117 PolarHBondContact O-N 2.65Å; S114-I117 VanDerWaalsContact O-N 3.14Å; I117-F119 PolarHBondContact O-N 2.91Å
118	H	98.5	Very high	98.4	Very high	29 Å²	29	46.8 Å²	46.8	13%	0.134	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	15.9	-173.8	-155.7	76.9	0	0	0	115.4	E40 E97 F116 A120 C121	E40-H118 IonicContact OE1-CE1 3.55Å; E40-H118 IonicContact OE1-CG 3.4Å; E40-H118 IonicContact OE1-ND1 2.97Å; E40-H118 PolarHBondContact OE1-ND1 3.22Å; E40-H118 WeakPolarHBondContact OE2-CA 3.47Å; E40-H118 PolarHBondContact OE2-N 3.45Å; E40-H118 IonicContact OE2-ND1 3.26Å; E97-H118 HydrophobicContact CG-CB 4.04Å; F116-H118 PolarHBondContact O-N 3.14Å; H118-A120 PolarHBondContact O-N 3.43Å; H118-C121 PolarHBondContact NE2-O 3.34Å; H118-C121 WeakPolarHBondContact O-CB 3.47Å; H118-C121 PolarHBondContact O-N 2.88Å; H118-C121 VanDerWaalsContact O-N 3.12Å
119	F	98.6	Very high	98.5	Very high	96 Å²	96	43.8 Å²	43.8	42%	0.421	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	125	-175.2	-174.1	-97.8	0	0	0	112.7	W43 L47 F116 I117 C121	W43-F119 PolarHBondContact NE1-O 3.28Å; L47-F119 HydrophobicContact CD1-CB 3.95Å; F116-F119 HydrophobicContact CB-CB 4.3Å; F116-F119 HydrophobicContact CD1-CB 4.08Å; F116-F119 HydrophobicContact CD1-CD1 4.24Å; F116-F119 AromaticContact CD1-CD2 3.62Å; F116-F119 HydrophobicContact CD1-CD2 3.62Å; F116-F119 HydrophobicContact CD1-CE2 4.07Å; F116-F119 AromaticContact CD1-CG 3.71Å; F116-F119 HydrophobicContact CD1-CG 3.71Å; F116-F119 AromaticContact CE1-CD2 3.86Å; F116-F119 HydrophobicContact CE1-CD2 3.86Å; F116-F119 HydrophobicContact CE1-CE1 4.5Å; F116-F119 AromaticContact CE1-CE2 3.81Å; F116-F119 HydrophobicContact CE1-CE2 3.81Å; F116-F119 HydrophobicContact CE1-CG 4.24Å; F116-F119 HydrophobicContact CE1-CZ 4.14Å; F116-F119 HydrophobicContact CG-CD2 4.39Å; F116-F119 VanDerWaalsContact O-CB 3.22Å; F116-F119 WeakPolarHBondContact O-CB 3.49Å; F116-F119 PolarHBondContact O-N 3.46Å; F116-F119 VanDerWaalsContact O-N 3.14Å; I117-F119 PolarHBondContact O-N 2.91Å; F119-C121 PolarHBondContact O-N 3.46Å; F119-C121 VanDerWaalsContact O-N 3.08Å
120	A	98.1	Very high	98.5	Very high	78 Å²	78	40.3 Å²	40.3	65%	0.645	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	8.8	-178.3	0	0	0	0	0	115.7	H118	H118-A120 PolarHBondContact O-N 3.43Å
121	C	98.5	Very high	98.5	Very high	20 Å²	20	44.1 Å²	44.1	14%	0.135	24%	0.243	C	C	.	.			trans	-80.5	153.6	175.5	-65.5	0	0	0	0	111.2	W43 H118 F119 D125 I126	W43-C121 PolarHBondContact NE1-SG 3.34Å; H118-C121 PolarHBondContact NE2-O 3.34Å; H118-C121 WeakPolarHBondContact O-CB 3.47Å; H118-C121 PolarHBondContact O-N 2.88Å; H118-C121 VanDerWaalsContact O-N 3.12Å; F119-C121 PolarHBondContact O-N 3.46Å; F119-C121 VanDerWaalsContact O-N 3.08Å; C121-D125 WeakPolarHBondContact CA-OD2 3.27Å; C121-D125 HydrophobicContact CB-CB 4.39Å; C121-I126 HydrophobicContact CB-CD1 4.29Å
122	T	98.1	Very high	98.5	Very high	38 Å²	38	40.2 Å²	40.2	23%	0.233	23%	0.228	C	C	.	.			trans	-101.8	160.2	153.9	-170.5	0	0	0	0	110.2	E124 D125 G209	T122-E124 HydrophobicContact CG2-CB 4.09Å; T122-E124 PolarHBondContact O-N 3.41Å; T122-E124 VanDerWaalsContact O-N 3.08Å; T122-D125 HydrophobicContact CG2-CB 4.44Å; T122-D125 PolarHBondContact N-OD2 2.84Å; T122-D125 VanDerWaalsContact O-CB 3.3Å; T122-D125 WeakPolarHBondContact O-CB 3.19Å; T122-D125 PolarHBondContact O-N 2.94Å; T122-G209 WeakPolarHBondContact CG2-O 3.47Å
123	S	98.1	Very high	98.6	Very high	24 Å²	24	38.4 Å²	38.4	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-49.9	-37.8	175.8	-57.2	0	0	0	0	112.6	H91 D125 I126 N127	H91-S123 PolarHBondContact CE1-OG 3.5Å; H91-S123 PolarHBondContact NE2-OG 2.89Å; S123-D125 PolarHBondContact O-N 3.41Å; S123-I126 PolarHBondContact O-N 3.12Å; S123-N127 VanDerWaalsContact O-CG 3.25Å; S123-N127 PolarHBondContact O-N 2.94Å; S123-N127 PolarHBondContact O-ND2 3.01Å
124	E	98.4	Very high	98.6	Very high	96 Å²	96	38.9 Å²	38.9	45%	0.449	21%	0.208	S	C	.	.	H	α-helix	trans	-71.7	-23.2	178.5	-76	-53.5	123.1	0	0	114.6	T122 I126 N127 N128	T122-E124 HydrophobicContact CG2-CB 4.09Å; T122-E124 PolarHBondContact O-N 3.41Å; T122-E124 VanDerWaalsContact O-N 3.08Å; E124-I126 PolarHBondContact O-N 3.44Å; E124-N127 PolarHBondContact O-N 2.93Å; E124-N127 PolarHBondContact OE1-ND2 3.49Å; E124-N128 WeakPolarHBondContact O-CB 3.49Å; E124-N128 PolarHBondContact O-N 2.87Å; E124-N128 PolarHBondContact O-ND2 2.83Å
125	D	98.7	Very high	98.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-37.5	169.7	-66.9	-35.2	0	0	0	110.7	C121 T122 S123 N128 L129 K206 I207 N208 G209	C121-D125 WeakPolarHBondContact CA-OD2 3.27Å; C121-D125 HydrophobicContact CB-CB 4.39Å; T122-D125 HydrophobicContact CG2-CB 4.44Å; T122-D125 PolarHBondContact N-OD2 2.84Å; T122-D125 VanDerWaalsContact O-CB 3.3Å; T122-D125 WeakPolarHBondContact O-CB 3.19Å; T122-D125 PolarHBondContact O-N 2.94Å; S123-D125 PolarHBondContact O-N 3.41Å; D125-N128 WeakPolarHBondContact CA-ND2 3.5Å; D125-N128 PolarHBondContact O-ND2 2.74Å; D125-L129 WeakPolarHBondContact O-CD1 3.43Å; D125-L129 VanDerWaalsContact O-CG 3.24Å; D125-L129 WeakPolarHBondContact O-CG 3.31Å; D125-K206 WeakPolarHBondContact OD1-CE 3.31Å; D125-K206 IonicContact OD1-NZ 3.61Å; D125-K206 PolarHBondContact OD1-NZ 3.26Å; D125-I207 HydrophobicContact CB-CB 4.29Å; D125-I207 HydrophobicContact CB-CD1 4.14Å; D125-I207 HydrophobicContact CB-CG1 3.83Å; D125-I207 VanDerWaalsContact OD1-CA 3.25Å; D125-I207 WeakPolarHBondContact OD1-CA 3.4Å; D125-N208 PolarHBondContact OD1-N 3.13Å; D125-G209 PolarHBondContact OD1-N 2.9Å; D125-G209 VanDerWaalsContact OD2-CA 3.31Å; D125-G209 WeakPolarHBondContact OD2-CA 3.25Å; D125-G209 PolarHBondContact OD2-N 2.83Å
126	I	98.8	Very high	98.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-80	-44	179.6	-44.7	-56.9	0	0	0	110.6	R36 V39 E40 V93 C121 S123 E124 S130	R36-I126 HydrophobicContact CB-CG2 3.83Å; R36-I126 HydrophobicContact CG-CG2 3.81Å; V39-I126 HydrophobicContact CB-CG2 4.18Å; V39-I126 HydrophobicContact CG1-CD1 3.92Å; V39-I126 HydrophobicContact CG1-CG2 4.23Å; E40-I126 HydrophobicContact CG-CD1 4.25Å; E40-I126 HydrophobicContact CG-CG2 4.19Å; E40-I126 WeakPolarHBondContact OE1-CD1 3.41Å; E40-I126 WeakPolarHBondContact OE1-CG1 3.43Å; V93-I126 HydrophobicContact CG1-CB 4.38Å; V93-I126 HydrophobicContact CG1-CG1 4.19Å; C121-I126 HydrophobicContact CB-CD1 4.29Å; S123-I126 PolarHBondContact O-N 3.12Å; E124-I126 PolarHBondContact O-N 3.44Å; I126-S130 WeakPolarHBondContact O-CB 3.45Å; I126-S130 PolarHBondContact O-N 2.73Å; I126-S130 PolarHBondContact O-OG 3.38Å
127	N	98.6	Very high	98.7	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-50.8	-177	-67.4	-21.1	0	0	0	112.1	R36 V93 S123 E124 L129 S130 H131	R36-N127 PolarHBondContact NE-OD1 2.89Å; R36-N127 PolarHBondContact NH2-OD1 3.32Å; V93-N127 WeakPolarHBondContact CG2-OD1 3.32Å; S123-N127 VanDerWaalsContact O-CG 3.25Å; S123-N127 PolarHBondContact O-N 2.94Å; S123-N127 PolarHBondContact O-ND2 3.01Å; E124-N127 PolarHBondContact O-N 2.93Å; E124-N127 PolarHBondContact OE1-ND2 3.49Å; N127-L129 VanDerWaalsContact C-N 3.29Å; N127-L129 PolarHBondContact O-N 2.84Å; N127-S130 CarbonylContact O-C 3.6Å; N127-S130 WeakPolarHBondContact O-CA 3.25Å; N127-S130 WeakPolarHBondContact O-CB 3.4Å; N127-S130 PolarHBondContact O-N 3.16Å; N127-S130 VanDerWaalsContact O-N 3.08Å; N127-H131 PolarHBondContact O-CD2 3.46Å; N127-H131 PolarHBondContact O-N 3.35Å
128	N	98.8	Very high	98.7	Very high	30 Å²	30	40.9 Å²	40.9	16%	0.16	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-39.9	-176.2	88.7	89.5	0	0	0	111.7	E124 D125 S130 H131 A132 G205 K206	E124-N128 WeakPolarHBondContact O-CB 3.49Å; E124-N128 PolarHBondContact O-N 2.87Å; E124-N128 PolarHBondContact O-ND2 2.83Å; D125-N128 WeakPolarHBondContact CA-ND2 3.5Å; D125-N128 PolarHBondContact O-ND2 2.74Å; N128-S130 VanDerWaalsContact C-N 3.35Å; N128-H131 PolarHBondContact O-N 3.21Å; N128-A132 WeakPolarHBondContact O-CB 3.33Å; N128-A132 PolarHBondContact O-N 3.02Å; N128-G205 VanDerWaalsContact OD1-CA 3.31Å; N128-G205 WeakPolarHBondContact OD1-CA 3.14Å; N128-K206 PolarHBondContact ND2-O 2.98Å; N128-K206 PolarHBondContact OD1-N 3.38Å; N128-K206 PolarHBondContact OD1-O 3.04Å
129	L	98.9	Very high	98.7	Very high	43 Å²	43	40.9 Å²	40.9	23%	0.225	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-37.2	176.4	-66.6	-179.4	0	0	0	111.3	V39 D125 N127 A132 L133 I207	V39-L129 HydrophobicContact CG1-CB 4.11Å; V39-L129 HydrophobicContact CG1-CD1 3.76Å; V39-L129 HydrophobicContact CG2-CB 3.7Å; D125-L129 WeakPolarHBondContact O-CD1 3.43Å; D125-L129 VanDerWaalsContact O-CG 3.24Å; D125-L129 WeakPolarHBondContact O-CG 3.31Å; N127-L129 VanDerWaalsContact C-N 3.29Å; N127-L129 PolarHBondContact O-N 2.84Å; L129-A132 PolarHBondContact O-N 2.78Å; L129-L133 VanDerWaalsContact O-CG 3.29Å; L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 2.84Å; L129-I207 HydrophobicContact CD1-CB 4.4Å
130	S	98.8	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-46.9	172.9	-58.1	0	0	0	0	111.1	R36 I126 N127 N128 A132 L133 M134	R36-S130 WeakPolarHBondContact CA-OG 3.4Å; R36-S130 WeakPolarHBondContact CG-OG 3.44Å; R36-S130 PolarHBondContact N-OG 3.02Å; I126-S130 WeakPolarHBondContact O-CB 3.45Å; I126-S130 PolarHBondContact O-N 2.73Å; I126-S130 PolarHBondContact O-OG 3.38Å; N127-S130 CarbonylContact O-C 3.6Å; N127-S130 WeakPolarHBondContact O-CA 3.25Å; N127-S130 WeakPolarHBondContact O-CB 3.4Å; N127-S130 PolarHBondContact O-N 3.16Å; N127-S130 VanDerWaalsContact O-N 3.08Å; N128-S130 VanDerWaalsContact C-N 3.35Å; S130-A132 VanDerWaalsContact C-N 3.34Å; S130-A132 PolarHBondContact O-N 2.88Å; S130-L133 PolarHBondContact O-N 2.68Å; S130-M134 WeakPolarHBondContact O-CG 3.4Å; S130-M134 PolarHBondContact O-N 3.4Å
131	H	98.9	Very high	98.7	Very high	79 Å²	79	42.1 Å²	42.1	37%	0.366	21%	0.214	S	C	.	.	H	α-helix	trans	-62.1	-39.8	176.3	-60.9	-30.4	0	0	0	112.5	N127 N128 M134 L135	N127-H131 PolarHBondContact O-CD2 3.46Å; N127-H131 PolarHBondContact O-N 3.35Å; N128-H131 PolarHBondContact O-N 3.21Å; H131-M134 PolarHBondContact O-N 3.15Å; H131-L135 WeakPolarHBondContact O-CB 3.29Å; H131-L135 WeakPolarHBondContact O-CG 3.38Å; H131-L135 PolarHBondContact O-N 3.34Å
132	A	98.9	Very high	98.7	Very high	15 Å²	15	42.3 Å²	42.3	12%	0.124	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-46.8	174.4	0	0	0	0	0	111.3	N128 L129 S130 L135 K136 I203 L204	N128-A132 WeakPolarHBondContact O-CB 3.33Å; N128-A132 PolarHBondContact O-N 3.02Å; L129-A132 PolarHBondContact O-N 2.78Å; S130-A132 VanDerWaalsContact C-N 3.34Å; S130-A132 PolarHBondContact O-N 2.88Å; A132-L135 PolarHBondContact O-N 3.17Å; A132-K136 VanDerWaalsContact O-CB 3.25Å; A132-K136 WeakPolarHBondContact O-CB 3.33Å; A132-K136 PolarHBondContact O-N 2.56Å; A132-I203 HydrophobicContact CB-CG2 3.83Å; A132-I203 WeakPolarHBondContact O-CG2 3.14Å; A132-L204 WeakPolarHBondContact CB-O 3.25Å
133	L	98.9	Very high	98.8	Very high	47 Å²	47	43.8 Å²	43.8	25%	0.246	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-43.1	175.6	-68.9	171	0	0	0	111.7	F35 Q38 V39 L129 S130 K136 T137	F35-L133 HydrophobicContact CB-CD1 4.5Å; F35-L133 HydrophobicContact CD1-CB 3.62Å; F35-L133 HydrophobicContact CD1-CD1 3.87Å; F35-L133 HydrophobicContact CD1-CG 4.36Å; F35-L133 HydrophobicContact CE1-CB 3.84Å; F35-L133 HydrophobicContact CG-CB 4.09Å; F35-L133 HydrophobicContact CZ-CB 4.45Å; Q38-L133 HydrophobicContact CG-CD1 4.5Å; V39-L133 HydrophobicContact CG2-CD1 3.97Å; L129-L133 VanDerWaalsContact O-CG 3.29Å; L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 2.84Å; S130-L133 PolarHBondContact O-N 2.68Å; L133-K136 PolarHBondContact O-N 3.26Å; L133-T137 VanDerWaalsContact O-CB 3.29Å; L133-T137 WeakPolarHBondContact O-CB 3.32Å; L133-T137 PolarHBondContact O-N 3.36Å; L133-T137 PolarHBondContact O-OG1 3.14Å
134	M	98.9	Very high	98.8	Very high	14 Å²	14	43 Å²	43	7%	0.069	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-50.8	176.8	-67.5	159.3	61.9	0	0	111.6	I26 F27 L32 F35 S130 H131 T137 A138	I26-M134 HydrophobicContact CG2-CB 3.94Å; I26-M134 HydrophobicContact CG2-CG 4.3Å; I26-M134 WeakPolarHBondContact CG2-O 3.42Å; I26-M134 WeakPolarHBondContact O-CE 3.28Å; I26-M134 WeakPolarHBondContact O-CG 3.46Å; F27-M134 HydrophobicContact CD1-CB 4.26Å; F27-M134 HydrophobicContact CD1-CE 3.57Å; F27-M134 HydrophobicContact CE1-CB 3.93Å; F27-M134 HydrophobicContact CE1-CE 4.23Å; F27-M134 HydrophobicContact CG-CE 4.46Å; L32-M134 HydrophobicContact CD1-SD 4Å; F35-M134 HydrophobicContact CD2-CB 4.41Å; F35-M134 HydrophobicContact CD2-CG 3.26Å; F35-M134 HydrophobicContact CD2-SD 4.32Å; F35-M134 HydrophobicContact CE2-CB 4.29Å; F35-M134 HydrophobicContact CE2-CG 3.52Å; F35-M134 HydrophobicContact CG-CG 4.23Å; S130-M134 WeakPolarHBondContact O-CG 3.4Å; S130-M134 PolarHBondContact O-N 3.4Å; H131-M134 PolarHBondContact O-N 3.15Å; M134-T137 PolarHBondContact O-N 3.3Å; M134-A138 WeakPolarHBondContact O-CB 3.33Å; M134-A138 PolarHBondContact O-N 3.27Å
135	L	98.9	Very high	98.8	Very high	99 Å²	99	40.9 Å²	40.9	52%	0.518	21%	0.209	S	C	.	.	H	α-helix	trans	-65.3	-41.3	-179.6	-71.7	172.3	0	0	0	111.9	F27 H131 A132 R139 I203	F27-L135 HydrophobicContact CE1-CD2 4.39Å; H131-L135 WeakPolarHBondContact O-CB 3.29Å; H131-L135 WeakPolarHBondContact O-CG 3.38Å; H131-L135 PolarHBondContact O-N 3.34Å; A132-L135 PolarHBondContact O-N 3.17Å; L135-R139 VanDerWaalsContact O-CB 3.29Å; L135-R139 WeakPolarHBondContact O-CB 3.43Å; L135-R139 PolarHBondContact O-N 3.4Å; L135-I203 HydrophobicContact CB-CD1 4.32Å
136	K	98.9	Very high	98.8	Very high	108 Å²	108	47.2 Å²	47.2	47%	0.47	23%	0.234	S	C	.	.	H	α-helix	trans	-63.5	-49.8	177.5	-175.2	179.1	178	-176.8	0	111.1	A132 L133 A138 R139 D140 I203	A132-K136 VanDerWaalsContact O-CB 3.25Å; A132-K136 WeakPolarHBondContact O-CB 3.33Å; A132-K136 PolarHBondContact O-N 2.56Å; L133-K136 PolarHBondContact O-N 3.26Å; K136-A138 PolarHBondContact O-N 3.24Å; K136-R139 PolarHBondContact O-N 3.5Å; K136-D140 WeakPolarHBondContact CG-OD2 3.43Å; K136-D140 WeakPolarHBondContact O-CB 3.23Å; K136-D140 VanDerWaalsContact O-CG 3.23Å; K136-D140 PolarHBondContact O-N 2.88Å; K136-I203 VanDerWaalsContact CA-CD1 3.44Å; K136-I203 HydrophobicContact CB-CD1 3.77Å; K136-I203 HydrophobicContact CG-CD1 4.34Å
137	T	98.9	Very high	98.9	Very high	26 Å²	26	51.3 Å²	51.3	16%	0.16	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-50.3	177.6	-53.6	0	0	0	0	110.3	I26 L133 M134 R139 D140 E141	I26-T137 HydrophobicContact CD1-CG2 3.85Å; I26-T137 HydrophobicContact CG1-CG2 4.21Å; L133-T137 VanDerWaalsContact O-CB 3.29Å; L133-T137 WeakPolarHBondContact O-CB 3.32Å; L133-T137 PolarHBondContact O-N 3.36Å; L133-T137 PolarHBondContact O-OG1 3.14Å; M134-T137 PolarHBondContact O-N 3.3Å; T137-R139 PolarHBondContact O-N 2.79Å; T137-D140 PolarHBondContact O-N 3.18Å; T137-E141 HydrophobicContact CG2-CG 4.47Å; T137-E141 VanDerWaalsContact O-CB 3.28Å; T137-E141 WeakPolarHBondContact O-CB 3.12Å; T137-E141 PolarHBondContact O-N 3.33Å
138	A	98.9	Very high	98.9	Very high	2 Å²	2	53.8 Å²	53.8	2%	0.017	26%	0.258	C	S	.	.	I	π-helix	trans	-63.6	-39.9	179.9	0	0	0	0	0	113	I26 F27 M134 K136 V142 I143	I26-A138 HydrophobicContact CG2-CB 4.47Å; F27-A138 HydrophobicContact CE2-CB 3.4Å; F27-A138 HydrophobicContact CZ-CB 3.34Å; M134-A138 WeakPolarHBondContact O-CB 3.33Å; M134-A138 PolarHBondContact O-N 3.27Å; K136-A138 PolarHBondContact O-N 3.24Å; A138-V142 WeakPolarHBondContact O-CA 3.47Å; A138-V142 WeakPolarHBondContact O-CB 3.49Å; A138-V142 PolarHBondContact O-N 2.76Å; A138-V142 VanDerWaalsContact O-N 3.12Å; A138-I143 WeakPolarHBondContact O-CG1 3.47Å; A138-I143 PolarHBondContact O-N 2.97Å
139	R	98.9	Very high	98.9	Very high	30 Å²	30	58.2 Å²	58.2	11%	0.113	28%	0.277	C	S	.	.	I	π-helix	trans	-62.6	-53.1	177	-177.2	-174.4	66.4	-172	-3.3	110.9	L135 K136 T137 L144 L198 V201	L135-R139 VanDerWaalsContact O-CB 3.29Å; L135-R139 WeakPolarHBondContact O-CB 3.43Å; L135-R139 PolarHBondContact O-N 3.4Å; K136-R139 PolarHBondContact O-N 3.5Å; T137-R139 PolarHBondContact O-N 2.79Å; R139-L144 HydrophobicContact CG-CD1 3.88Å; R139-L144 HydrophobicContact CG-CG 4.02Å; R139-L144 WeakPolarHBondContact O-CB 3.49Å; R139-L144 VanDerWaalsContact O-CG 3.29Å; R139-L144 WeakPolarHBondContact O-CG 3.47Å; R139-L144 PolarHBondContact O-N 3.07Å; R139-L198 HydrophobicContact CG-CD1 4.3Å; R139-L198 HydrophobicContact CG-CD2 4.38Å; R139-L198 HydrophobicContact CG-CG 4.09Å; R139-V201 PolarHBondContact NH1-O 2.78Å
140	D	98.8	Very high	98.9	Very high	62 Å²	62	60.9 Å²	60.9	33%	0.332	29%	0.291	S	S	.	.	I	π-helix	trans	-78.5	-36	-166.9	-60	-9.3	0	0	0	111.3	K136 T137 P145	K136-D140 WeakPolarHBondContact CG-OD2 3.43Å; K136-D140 WeakPolarHBondContact O-CB 3.23Å; K136-D140 VanDerWaalsContact O-CG 3.23Å; K136-D140 PolarHBondContact O-N 2.88Å; T137-D140 PolarHBondContact O-N 3.18Å; D140-P145 WeakPolarHBondContact O-CD 3.32Å
141	E	98.8	Very high	98.9	Very high	138 Å²	138	60.9 Å²	60.9	65%	0.645	29%	0.291	S	S	*	.	I	π-helix	trans	-103.2	-17.6	-173	-57.9	179.1	-157.7	0	0	114.4	T137	T137-E141 HydrophobicContact CG2-CG 4.47Å; T137-E141 VanDerWaalsContact O-CB 3.28Å; T137-E141 WeakPolarHBondContact O-CB 3.12Å; T137-E141 PolarHBondContact O-N 3.33Å
142	V	98.8	Very high	98.9	Very high	24 Å²	24	60.1 Å²	60.1	15%	0.145	29%	0.29	C	S	.	.	I	π-helix	trans	-120.5	-62.4	-177.8	-174	0	0	0	0	111.6	A22 L23 I26 A138 P145 Y146	A22-V142 HydrophobicContact CB-CG2 4.28Å; L23-V142 HydrophobicContact CD2-CG1 4.16Å; L23-V142 HydrophobicContact CD2-CG2 4.37Å; I26-V142 HydrophobicContact CD1-CG2 4.25Å; A138-V142 WeakPolarHBondContact O-CA 3.47Å; A138-V142 WeakPolarHBondContact O-CB 3.49Å; A138-V142 PolarHBondContact O-N 2.76Å; A138-V142 VanDerWaalsContact O-N 3.12Å; V142-P145 WeakPolarHBondContact O-CD 3.23Å; V142-Y146 HydrophobicContact CG1-CD2 4.13Å; V142-Y146 HydrophobicContact CG1-CE2 4.12Å; V142-Y146 WeakPolarHBondContact O-CD2 3.42Å; V142-Y146 PolarHBondContact O-N 2.88Å
143	I	98.8	Very high	98.9	Very high	68 Å²	68	60.9 Å²	60.9	35%	0.349	30%	0.3	S	S	.	.	I	π-helix	trans	-67.6	-54.4	-168.8	-61	169.2	0	0	0	111.2	A138 Y146 W147 L198	A138-I143 WeakPolarHBondContact O-CG1 3.47Å; A138-I143 PolarHBondContact O-N 2.97Å; I143-Y146 PolarHBondContact O-N 3.44Å; I143-W147 HydrophobicContact CG2-CD2 4.34Å; I143-W147 HydrophobicContact CG2-CG 4.38Å; I143-W147 HydrophobicContact CG2-CZ2 4.37Å; I143-W147 VanDerWaalsContact O-CD1 3.25Å; I143-W147 PolarHBondContact O-N 3.28Å; I143-L198 HydrophobicContact CG2-CD2 3.7Å
144	L	98.9	Very high	98.9	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-40.6	-177.4	-69.4	175.6	0	0	0	112.5	R139 Y146 W147 R148 Y195 L198 N199	R139-L144 HydrophobicContact CG-CD1 3.88Å; R139-L144 HydrophobicContact CG-CG 4.02Å; R139-L144 WeakPolarHBondContact O-CB 3.49Å; R139-L144 VanDerWaalsContact O-CG 3.29Å; R139-L144 WeakPolarHBondContact O-CG 3.47Å; R139-L144 PolarHBondContact O-N 3.07Å; L144-Y146 PolarHBondContact O-N 3.36Å; L144-W147 PolarHBondContact O-N 2.93Å; L144-R148 WeakPolarHBondContact O-CB 3.46Å; L144-R148 PolarHBondContact O-N 3.27Å; L144-Y195 HydrophobicContact CB-CE2 3.95Å; L144-Y195 HydrophobicContact CD2-CD2 3.74Å; L144-Y195 HydrophobicContact CD2-CE2 3.62Å; L144-Y195 HydrophobicContact CD2-CG 4.28Å; L144-Y195 HydrophobicContact CG-CE2 4.35Å; L144-Y195 WeakPolarHBondContact O-CE2 3.31Å; L144-L198 HydrophobicContact CD2-CB 4.42Å; L144-L198 HydrophobicContact CD2-CD2 3.83Å; L144-L198 HydrophobicContact CD2-CG 4.17Å; L144-L198 HydrophobicContact CG-CD2 4.42Å; L144-N199 HydrophobicContact CD1-CB 4.19Å; L144-N199 WeakPolarHBondContact CD1-OD1 3.18Å
145	P	98.9	Very high	98.9	Very high	51 Å²	51	63.2 Å²	63.2	33%	0.331	31%	0.309	S	S	.	.	H	α-helix	trans	-56.8	-45	172.1	-31.2	38.5	0	0	0	114.1	D140 V142 R148 Q149	D140-P145 WeakPolarHBondContact O-CD 3.32Å; V142-P145 WeakPolarHBondContact O-CD 3.23Å; P145-R148 PolarHBondContact O-N 3.07Å; P145-Q149 WeakPolarHBondContact O-CG 3.29Å; P145-Q149 PolarHBondContact O-N 3.34Å
146	Y	98.9	Very high	98.9	Very high	134 Å²	134	63.7 Å²	63.7	53%	0.525	31%	0.312	S	S	.	.	H	α-helix	trans	-67.7	-38.3	176	-80.8	-65.2	0	0	0	112.6	V142 I143 L144 R148 Q149 L150	V142-Y146 HydrophobicContact CG1-CD2 4.13Å; V142-Y146 HydrophobicContact CG1-CE2 4.12Å; V142-Y146 WeakPolarHBondContact O-CD2 3.42Å; V142-Y146 PolarHBondContact O-N 2.88Å; I143-Y146 PolarHBondContact O-N 3.44Å; L144-Y146 PolarHBondContact O-N 3.36Å; Y146-R148 VanDerWaalsContact C-N 3.3Å; Y146-R148 PolarHBondContact O-N 3.31Å; Y146-Q149 PolarHBondContact O-N 3.17Å; Y146-L150 WeakPolarHBondContact O-CG 3.46Å; Y146-L150 PolarHBondContact O-N 2.82Å
147	W	98.8	Very high	98.9	Very high	86 Å²	86	61.5 Å²	61.5	33%	0.326	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-39.3	175.3	-78.1	27.4	0	0	0	111.7	I143 L144 L150 I151 Q194 Y195 L198	I143-W147 HydrophobicContact CG2-CD2 4.34Å; I143-W147 HydrophobicContact CG2-CG 4.38Å; I143-W147 HydrophobicContact CG2-CZ2 4.37Å; I143-W147 VanDerWaalsContact O-CD1 3.25Å; I143-W147 PolarHBondContact O-N 3.28Å; L144-W147 PolarHBondContact O-N 2.93Å; W147-L150 PolarHBondContact O-N 3.46Å; W147-I151 WeakPolarHBondContact O-CB 3.48Å; W147-I151 WeakPolarHBondContact O-CD1 3.18Å; W147-I151 WeakPolarHBondContact O-CG1 3.42Å; W147-I151 PolarHBondContact O-N 2.71Å; W147-Q194 HydrophobicContact CH2-CB 4.28Å; W147-Q194 HydrophobicContact CZ3-CB 3.87Å; W147-Y195 HydrophobicContact CB-CD2 3.91Å; W147-Y195 HydrophobicContact CB-CE2 4.41Å; W147-Y195 HydrophobicContact CE3-CD2 4.38Å; W147-L198 HydrophobicContact CD2-CD2 4.44Å; W147-L198 HydrophobicContact CE3-CD2 4.14Å; W147-L198 HydrophobicContact CH2-CB 4.31Å; W147-L198 HydrophobicContact CH2-CD2 3.77Å; W147-L198 HydrophobicContact CZ2-CD2 4.1Å; W147-L198 HydrophobicContact CZ3-CB 3.96Å; W147-L198 HydrophobicContact CZ3-CD2 3.78Å
148	R	98.9	Very high	98.9	Very high	66 Å²	66	61 Å²	61	25%	0.249	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-46.8	175.1	179.9	53.7	58.8	-162.1	-0.6	111.2	L144 P145 Y146 L150 I151 D152 E192 Y195	L144-R148 WeakPolarHBondContact O-CB 3.46Å; L144-R148 PolarHBondContact O-N 3.27Å; P145-R148 PolarHBondContact O-N 3.07Å; Y146-R148 VanDerWaalsContact C-N 3.3Å; Y146-R148 PolarHBondContact O-N 3.31Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 3.27Å; R148-I151 PolarHBondContact O-N 3.48Å; R148-D152 VanDerWaalsContact CD-CG 3.46Å; R148-D152 WeakPolarHBondContact CD-OD1 3.37Å; R148-D152 WeakPolarHBondContact CD-OD2 3.18Å; R148-D152 WeakPolarHBondContact CG-OD2 3.21Å; R148-D152 IonicContact NH1-OD1 2.73Å; R148-D152 PolarHBondContact NH1-OD1 2.89Å; R148-D152 WeakPolarHBondContact O-CB 3.28Å; R148-D152 VanDerWaalsContact O-CG 3.31Å; R148-D152 PolarHBondContact O-N 3.43Å; R148-E192 IonicContact CZ-OE1 3.38Å; R148-E192 IonicContact CZ-OE2 3.14Å; R148-E192 IonicContact NH1-OE1 3.73Å; R148-E192 PolarHBondContact NH1-OE1 3.19Å; R148-E192 IonicContact NH1-OE2 3.22Å; R148-E192 PolarHBondContact NH1-OE2 3.36Å; R148-E192 IonicContact NH2-OE1 2.79Å; R148-E192 PolarHBondContact NH2-OE1 3.04Å; R148-E192 IonicContact NH2-OE2 3.6Å; R148-Y195 HydrophobicContact CB-CE2 4.24Å
149	Q	98.9	Very high	98.9	Very high	122 Å²	122	65.8 Å²	65.8	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-55.3	-44.4	175.4	-71.7	171.8	54.3	0	0	112.2	P145 Y146 G153	P145-Q149 WeakPolarHBondContact O-CG 3.29Å; P145-Q149 PolarHBondContact O-N 3.34Å; Y146-Q149 PolarHBondContact O-N 3.17Å; Q149-G153 PolarHBondContact O-N 3.2Å
150	L	98.9	Very high	98.9	Very high	99 Å²	99	70.2 Å²	70.2	52%	0.518	35%	0.354	S	S	.	.	H	α-helix	trans	-66.2	-45.2	177.2	-69.2	169.7	0	0	0	112.2	Y146 W147 R148 D152 I154 M191	Y146-L150 WeakPolarHBondContact O-CG 3.46Å; Y146-L150 PolarHBondContact O-N 2.82Å; W147-L150 PolarHBondContact O-N 3.46Å; R148-L150 VanDerWaalsContact C-N 3.3Å; R148-L150 PolarHBondContact O-N 3.27Å; L150-D152 VanDerWaalsContact C-N 3.33Å; L150-D152 PolarHBondContact O-N 2.89Å; L150-I154 WeakPolarHBondContact O-CB 2.94Å; L150-I154 WeakPolarHBondContact O-CD1 3.4Å; L150-I154 WeakPolarHBondContact O-CG1 3.38Å; L150-I154 PolarHBondContact O-N 2.88Å; L150-M191 HydrophobicContact CB-CE 3.57Å; L150-M191 HydrophobicContact CD1-CE 4.12Å; L150-M191 HydrophobicContact CG-CE 4.49Å
151	I	98.9	Very high	98.9	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-59.4	-47.3	178.9	-73.1	163.6	0	0	0	110.5	W147 R148 I154 K155 M191 E192 Y195	W147-I151 WeakPolarHBondContact O-CB 3.48Å; W147-I151 WeakPolarHBondContact O-CD1 3.18Å; W147-I151 WeakPolarHBondContact O-CG1 3.42Å; W147-I151 PolarHBondContact O-N 2.71Å; R148-I151 PolarHBondContact O-N 3.48Å; I151-I154 PolarHBondContact O-N 3.21Å; I151-K155 HydrophobicContact CG2-CD 4.12Å; I151-K155 WeakPolarHBondContact O-CG 3.33Å; I151-K155 PolarHBondContact O-N 3.49Å; I151-M191 HydrophobicContact CD1-CB 4.21Å; I151-M191 HydrophobicContact CG1-CB 3.64Å; I151-M191 HydrophobicContact CG1-CE 4.23Å; I151-E192 WeakPolarHBondContact CG2-OE2 3.38Å; I151-Y195 HydrophobicContact CD1-CD2 3.96Å; I151-Y195 HydrophobicContact CD1-CG 4.07Å
152	D	98.9	Very high	98.9	Very high	63 Å²	63	72.3 Å²	72.3	34%	0.337	35%	0.352	S	S	.	.	H	α-helix	trans	-71.4	-42.3	-176.5	-63.4	-16	0	0	0	110.4	R148 L150 I154 K155 D156	R148-D152 VanDerWaalsContact CD-CG 3.46Å; R148-D152 WeakPolarHBondContact CD-OD1 3.37Å; R148-D152 WeakPolarHBondContact CD-OD2 3.18Å; R148-D152 WeakPolarHBondContact CG-OD2 3.21Å; R148-D152 IonicContact NH1-OD1 2.73Å; R148-D152 PolarHBondContact NH1-OD1 2.89Å; R148-D152 WeakPolarHBondContact O-CB 3.28Å; R148-D152 VanDerWaalsContact O-CG 3.31Å; R148-D152 PolarHBondContact O-N 3.43Å; L150-D152 VanDerWaalsContact C-N 3.33Å; L150-D152 PolarHBondContact O-N 2.89Å; D152-I154 VanDerWaalsContact C-N 3.3Å; D152-I154 PolarHBondContact O-N 3.13Å; D152-K155 CarbonylContact O-C 3.56Å; D152-K155 WeakPolarHBondContact O-CA 3.37Å; D152-K155 WeakPolarHBondContact O-CB 3.44Å; D152-K155 PolarHBondContact O-N 3.39Å; D152-K155 IonicContact OD1-NZ 2.67Å; D152-D156 PolarHBondContact O-N 3.44Å
153	G	98.9	Very high	98.8	Very high	32 Å²	32	76.4 Å²	76.4	33%	0.33	37%	0.373	S	S	.	.	H	α-helix	trans	-58.9	-38.2	173.4	0	0	0	0	0	113.2	Q149 D156 L157	Q149-G153 PolarHBondContact O-N 3.2Å; G153-D156 PolarHBondContact O-N 3.43Å; G153-L157 WeakPolarHBondContact O-CG 3.42Å; G153-L157 PolarHBondContact O-N 3.15Å; G153-L157 VanDerWaalsContact O-N 3.12Å
154	I	98.8	Very high	98.8	Very high	31 Å²	31	76.6 Å²	76.6	16%	0.159	37%	0.374	C	S	.	.	H	α-helix	trans	-72.2	-34.1	175.4	-64.5	165	0	0	0	111.3	L150 I151 D152 D156 L157 A158 M184 V187 A188 M191	L150-I154 WeakPolarHBondContact O-CB 2.94Å; L150-I154 WeakPolarHBondContact O-CD1 3.4Å; L150-I154 WeakPolarHBondContact O-CG1 3.38Å; L150-I154 PolarHBondContact O-N 2.88Å; I151-I154 PolarHBondContact O-N 3.21Å; D152-I154 VanDerWaalsContact C-N 3.3Å; D152-I154 PolarHBondContact O-N 3.13Å; I154-D156 VanDerWaalsContact C-N 3.34Å; I154-L157 PolarHBondContact O-N 3.16Å; I154-A158 WeakPolarHBondContact O-CB 3.46Å; I154-A158 PolarHBondContact O-N 2.84Å; I154-M184 HydrophobicContact CG2-CB 4.11Å; I154-M184 WeakPolarHBondContact CG2-O 3.37Å; I154-V187 HydrophobicContact CD1-CG1 4Å; I154-V187 HydrophobicContact CG2-CB 4.31Å; I154-A188 HydrophobicContact CB-CB 4.21Å; I154-A188 HydrophobicContact CG2-CB 3.78Å; I154-M191 HydrophobicContact CD1-CE 4.4Å; I154-M191 HydrophobicContact CD1-SD 3.38Å; I154-M191 WeakPolarHBondContact CD1-SD 3.47Å
155	K	98.9	Very high	98.8	Very high	79 Å²	79	81.3 Å²	81.3	34%	0.343	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-39.1	171.8	-75.8	170.9	-177.9	165.5	0	111.4	I151 D152 A158 V159 A188 E192	I151-K155 HydrophobicContact CG2-CD 4.12Å; I151-K155 WeakPolarHBondContact O-CG 3.33Å; I151-K155 PolarHBondContact O-N 3.49Å; D152-K155 CarbonylContact O-C 3.56Å; D152-K155 WeakPolarHBondContact O-CA 3.37Å; D152-K155 WeakPolarHBondContact O-CB 3.44Å; D152-K155 PolarHBondContact O-N 3.39Å; D152-K155 IonicContact OD1-NZ 2.67Å; K155-A158 WeakPolarHBondContact O-CA 3.46Å; K155-A158 WeakPolarHBondContact O-CB 3.36Å; K155-A158 PolarHBondContact O-N 3.4Å; K155-A158 VanDerWaalsContact O-N 3.1Å; K155-V159 WeakPolarHBondContact O-CG2 3.21Å; K155-V159 PolarHBondContact O-N 2.88Å; K155-A188 HydrophobicContact CG-CB 3.93Å; K155-E192 IonicContact NZ-OE2 3.96Å; K155-E192 PolarHBondContact NZ-OE2 3.08Å
156	D	98.9	Very high	98.8	Very high	109 Å²	109	81.5 Å²	81.5	58%	0.583	40%	0.403	S	S	*	.	H	α-helix	trans	-61.1	-45.9	175.6	-68.4	-22.9	0	0	0	110.6	D152 G153 I154 A158 V159 Q160	D152-D156 PolarHBondContact O-N 3.44Å; G153-D156 PolarHBondContact O-N 3.43Å; I154-D156 VanDerWaalsContact C-N 3.34Å; D156-A158 VanDerWaalsContact C-N 3.29Å; D156-A158 PolarHBondContact O-N 3.46Å; D156-V159 PolarHBondContact O-N 3.04Å; D156-Q160 WeakPolarHBondContact O-CB 3.46Å; D156-Q160 PolarHBondContact O-N 3.39Å
157	L	98.9	Very high	98.8	Very high	62 Å²	62	79.8 Å²	79.8	33%	0.325	40%	0.402	S	S	.	.	H	α-helix	trans	-61.2	-37.7	173	-62.5	173.3	0	0	0	112.1	G153 I154 V159 Y161 M184	G153-L157 WeakPolarHBondContact O-CG 3.42Å; G153-L157 PolarHBondContact O-N 3.15Å; G153-L157 VanDerWaalsContact O-N 3.12Å; I154-L157 PolarHBondContact O-N 3.16Å; L157-V159 VanDerWaalsContact C-N 3.35Å; L157-Y161 HydrophobicContact CB-CD2 4.33Å; L157-Y161 HydrophobicContact CB-CE2 4.41Å; L157-Y161 HydrophobicContact CD2-CD2 4.47Å; L157-Y161 HydrophobicContact CD2-CE2 3.74Å; L157-Y161 WeakPolarHBondContact O-CB 3.48Å; L157-Y161 WeakPolarHBondContact O-CD2 3.38Å; L157-Y161 PolarHBondContact O-N 3.1Å; L157-M184 HydrophobicContact CB-CB 4.41Å; L157-M184 HydrophobicContact CB-CG 3.97Å; L157-M184 HydrophobicContact CB-SD 4.5Å; L157-M184 HydrophobicContact CD1-SD 4.41Å
158	A	98.9	Very high	98.8	Very high	16 Å²	16	76.8 Å²	76.8	13%	0.132	39%	0.394	C	S	.	.	H	α-helix	trans	-62.9	-40.7	176.8	0	0	0	0	0	112.3	I154 K155 D156 R162 G181 M184 A185	I154-A158 WeakPolarHBondContact O-CB 3.46Å; I154-A158 PolarHBondContact O-N 2.84Å; K155-A158 WeakPolarHBondContact O-CA 3.46Å; K155-A158 WeakPolarHBondContact O-CB 3.36Å; K155-A158 PolarHBondContact O-N 3.4Å; K155-A158 VanDerWaalsContact O-N 3.1Å; D156-A158 VanDerWaalsContact C-N 3.29Å; D156-A158 PolarHBondContact O-N 3.46Å; A158-R162 WeakPolarHBondContact O-CA 3.47Å; A158-R162 PolarHBondContact O-N 2.91Å; A158-G181 WeakPolarHBondContact CB-O 3.44Å; A158-G181 WeakPolarHBondContact O-CA 3.21Å; A158-M184 HydrophobicContact CB-CB 3.89Å; A158-A185 HydrophobicContact CB-CB 4.1Å
159	V	98.8	Very high	98.8	Very high	101 Å²	101	81.6 Å²	81.6	61%	0.612	41%	0.413	S	S	*	.	H	α-helix	trans	-73.3	-47	176.4	173.8	0	0	0	0	110.9	K155 D156 L157 Y161 R162	K155-V159 WeakPolarHBondContact O-CG2 3.21Å; K155-V159 PolarHBondContact O-N 2.88Å; D156-V159 PolarHBondContact O-N 3.04Å; L157-V159 VanDerWaalsContact C-N 3.35Å; V159-Y161 VanDerWaalsContact C-N 3.27Å; V159-Y161 PolarHBondContact O-N 2.88Å; V159-R162 WeakPolarHBondContact O-CB 3.37Å; V159-R162 WeakPolarHBondContact O-CD 3.01Å; V159-R162 VanDerWaalsContact O-CG 3.25Å; V159-R162 WeakPolarHBondContact O-CG 3.44Å; V159-R162 PolarHBondContact O-N 2.82Å
160	Q	98.8	Very high	98.8	Very high	123 Å²	123	79.6 Å²	79.6	58%	0.575	41%	0.409	S	S	*	.	H	α-helix	trans	-59.2	-38	-178.6	-174.2	-176.7	1.5	0	0	112	D156	D156-Q160 WeakPolarHBondContact O-CB 3.46Å; D156-Q160 PolarHBondContact O-N 3.39Å
161	Y	98.8	Very high	98.7	Very high	77 Å²	77	84 Å²	84	30%	0.302	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	22	-177.2	-53	-41	0	0	0	113.5	L157 V159 D163 I164 I180 G181	L157-Y161 HydrophobicContact CB-CD2 4.33Å; L157-Y161 HydrophobicContact CB-CE2 4.41Å; L157-Y161 HydrophobicContact CD2-CD2 4.47Å; L157-Y161 HydrophobicContact CD2-CE2 3.74Å; L157-Y161 WeakPolarHBondContact O-CB 3.48Å; L157-Y161 WeakPolarHBondContact O-CD2 3.38Å; L157-Y161 PolarHBondContact O-N 3.1Å; V159-Y161 VanDerWaalsContact C-N 3.27Å; V159-Y161 PolarHBondContact O-N 2.88Å; Y161-D163 PolarHBondContact O-N 2.92Å; Y161-D163 VanDerWaalsContact O-N 3.08Å; Y161-I164 HydrophobicContact CD1-CD1 3.41Å; Y161-I164 VanDerWaalsContact CD1-CD1 3.41Å; Y161-I164 HydrophobicContact CD1-CG1 4.43Å; Y161-I164 HydrophobicContact CE1-CD1 4.18Å; Y161-I164 HydrophobicContact CG-CD1 4.02Å; Y161-I164 PolarHBondContact O-N 3.04Å; Y161-I180 HydrophobicContact CD2-CG2 3.75Å; Y161-I180 HydrophobicContact CG-CG2 4.04Å; Y161-G181 WeakPolarHBondContact O-CA 3.38Å; Y161-G181 PolarHBondContact O-N 2.88Å
162	R	98.7	Very high	98.6	Very high	167 Å²	167	86.1 Å²	86.1	63%	0.63	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-32.1	-172.3	64.2	-174.6	-64.8	-81.9	-0.3	114.3	A158 V159 T179	A158-R162 WeakPolarHBondContact O-CA 3.47Å; A158-R162 PolarHBondContact O-N 2.91Å; V159-R162 WeakPolarHBondContact O-CB 3.37Å; V159-R162 WeakPolarHBondContact O-CD 3.01Å; V159-R162 VanDerWaalsContact O-CG 3.25Å; V159-R162 WeakPolarHBondContact O-CG 3.44Å; V159-R162 PolarHBondContact O-N 2.82Å; R162-T179 VanDerWaalsContact O-CB 3.31Å; R162-T179 WeakPolarHBondContact O-CB 3.44Å; R162-T179 WeakPolarHBondContact O-CG2 3.48Å; R162-T179 PolarHBondContact O-OG1 3.22Å
163	D	98.7	Very high	98.5	Very high	111 Å²	111	89.1 Å²	89.1	59%	0.594	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	7.4	-172.9	59.9	-8.2	0	0	0	113.7	Y161 P165	Y161-D163 PolarHBondContact O-N 2.92Å; Y161-D163 VanDerWaalsContact O-N 3.08Å; D163-P165 WeakPolarHBondContact O-CD 3.39Å
164	I	98.8	Very high	98.5	Very high	72 Å²	72	91.4 Å²	91.4	37%	0.369	47%	0.469	S	S	.	.			trans	-75.5	110.1	172.6	-60.5	-173.2	0	0	0	108.5	Y161 T179 I180	Y161-I164 HydrophobicContact CD1-CD1 3.41Å; Y161-I164 VanDerWaalsContact CD1-CD1 3.41Å; Y161-I164 HydrophobicContact CD1-CG1 4.43Å; Y161-I164 HydrophobicContact CE1-CD1 4.18Å; Y161-I164 HydrophobicContact CG-CD1 4.02Å; Y161-I164 PolarHBondContact O-N 3.04Å; I164-T179 CarbonylContact O-C 3.51Å; I164-T179 WeakPolarHBondContact O-CA 3.46Å; I164-T179 VanDerWaalsContact O-CB 3.31Å; I164-T179 WeakPolarHBondContact O-CB 3.42Å; I164-I180 HydrophobicContact CB-CB 4.33Å; I164-I180 HydrophobicContact CB-CG1 4.13Å; I164-I180 HydrophobicContact CG2-CB 4.49Å; I164-I180 HydrophobicContact CG2-CG1 3.76Å; I164-I180 PolarHBondContact O-N 3.09Å
165	P	98.6	Very high	98.5	Very high	106 Å²	106	91.1 Å²	91.1	69%	0.688	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	142.4	-178.3	28.8	-34.6	0	0	0	111	D163	D163-P165 WeakPolarHBondContact O-CD 3.39Å
166	L	98.8	Very high	98.5	Very high	55 Å²	55	93.1 Å²	93.1	29%	0.288	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.2	179.6	171.3	66.2	0	0	0	109.8	S168 P177 S178 I180 E183	L166-S168 PolarHBondContact O-N 2.98Å; L166-S168 VanDerWaalsContact O-N 3.12Å; L166-P177 CarbonylContact O-C 3.57Å; L166-P177 VanDerWaalsContact O-CA 3.25Å; L166-P177 WeakPolarHBondContact O-CA 3.33Å; L166-S178 PolarHBondContact N-O 3.27Å; L166-S178 PolarHBondContact O-N 3.03Å; L166-I180 HydrophobicContact CB-CD1 4.1Å; L166-I180 HydrophobicContact CB-CG1 4.36Å; L166-I180 HydrophobicContact CD1-CD1 3.86Å; L166-I180 HydrophobicContact CD2-CD1 4.11Å; L166-I180 HydrophobicContact CG-CD1 4.23Å; L166-E183 HydrophobicContact CD2-CG 3.73Å
167	L	98.7	Very high	98.4	Very high	99 Å²	99	92.4 Å²	92.4	52%	0.518	49%	0.492	S	S	.	.			trans	-73.5	99.7	164	179.6	63.7	0	0	0	108.9	P174 A175	L167-P174 HydrophobicContact CD1-CB 4.2Å; L167-P174 HydrophobicContact CD2-CB 4.09Å; L167-P174 HydrophobicContact CD2-CG 4.42Å; L167-P174 HydrophobicContact CG-CB 4.34Å; L167-A175 WeakPolarHBondContact CD1-O 3.45Å
168	S	98.7	Very high	98.4	Very high	23 Å²	23	90.7 Å²	90.7	16%	0.161	49%	0.485	C	S	.	.			trans	-58.4	157.3	180	-53.5	0	0	0	0	111.8	L166 A175 T176 S178	L166-S168 PolarHBondContact O-N 2.98Å; L166-S168 VanDerWaalsContact O-N 3.12Å; S168-A175 PolarHBondContact O-N 3.37Å; S168-T176 WeakPolarHBondContact CB-O 3.25Å; S168-T176 PolarHBondContact OG-O 2.91Å; S168-S178 WeakPolarHBondContact OG-CB 3.37Å; S168-S178 PolarHBondContact OG-N 3.46Å
169	R	98.6	Very high	98.4	Very high	167 Å²	167	91.8 Å²	91.8	63%	0.63	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.6	173.6	-63.7	-63.6	-168.7	104	2.9	110.8	G172 Q173	R169-G172 WeakPolarHBondContact CD-O 3.43Å; R169-G172 PolarHBondContact NH1-O 3.29Å; R169-Q173 VanDerWaalsContact CA-O 3.25Å; R169-Q173 WeakPolarHBondContact CA-O 3.34Å
170	T	97.7	Very high	98.4	Very high	80 Å²	80	89.4 Å²	89.4	49%	0.491	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.9	169.9	57.5	0	0	0	0	108.8	G172 Q173 A175	T170-G172 PolarHBondContact O-N 3.43Å; T170-G172 VanDerWaalsContact O-N 3.13Å; T170-Q173 PolarHBondContact N-O 2.92Å; T170-Q173 PolarHBondContact O-N 3.47Å; T170-A175 HydrophobicContact CG2-CB 3.85Å; T170-A175 WeakPolarHBondContact OG1-CB 3.42Å
171	H	96.9	Very high	98.4	Very high	192 Å²	192	83.7 Å²	83.7	89%	0.889	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	29.6	-167.9	-48.7	-74.1	0	0	0	112.6	Q173	H171-Q173 PolarHBondContact O-N 2.97Å
172	G	97.2	Very high	98.4	Very high	44 Å²	44	84.8 Å²	84.8	45%	0.454	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	-1.7	-175	0	0	0	0	0	115.6	R169 T170	R169-G172 WeakPolarHBondContact CD-O 3.43Å; R169-G172 PolarHBondContact NH1-O 3.29Å; T170-G172 PolarHBondContact O-N 3.43Å; T170-G172 VanDerWaalsContact O-N 3.13Å
173	Q	98.3	Very high	98.5	Very high	126 Å²	126	79.9 Å²	79.9	59%	0.589	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.5	151.2	-176.4	-61	-57.9	-30.6	0	0	112.6	R169 T170 H171 A175	R169-Q173 VanDerWaalsContact CA-O 3.25Å; R169-Q173 WeakPolarHBondContact CA-O 3.34Å; T170-Q173 PolarHBondContact N-O 2.92Å; T170-Q173 PolarHBondContact O-N 3.47Å; H171-Q173 PolarHBondContact O-N 2.97Å; Q173-A175 PolarHBondContact O-N 3.12Å
174	P	98.6	Very high	98.5	Very high	79 Å²	79	77.4 Å²	77.4	51%	0.513	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.4	130.9	173.1	-29.5	37.6	0	0	0	112.7	L167	L167-P174 HydrophobicContact CD1-CB 4.2Å; L167-P174 HydrophobicContact CD2-CB 4.09Å; L167-P174 HydrophobicContact CD2-CG 4.42Å; L167-P174 HydrophobicContact CG-CB 4.34Å
175	A	98.3	Very high	98.5	Very high	26 Å²	26	75.9 Å²	75.9	22%	0.215	42%	0.422	C	S	.	.			trans	-139.1	-177.4	-176.1	0	0	0	0	0	111.7	L167 S168 T170 Q173	L167-A175 WeakPolarHBondContact CD1-O 3.45Å; S168-A175 PolarHBondContact O-N 3.37Å; T170-A175 HydrophobicContact CG2-CB 3.85Å; T170-A175 WeakPolarHBondContact OG1-CB 3.42Å; Q173-A175 PolarHBondContact O-N 3.12Å
176	T	98.2	Very high	98.5	Very high	121 Å²	121	73.8 Å²	73.8	74%	0.742	40%	0.404	S	S	*	.	S	Bend	trans	-51.1	128.5	177.1	-55	0	0	0	0	111.2	S168	S168-T176 WeakPolarHBondContact CB-O 3.25Å; S168-T176 PolarHBondContact OG-O 2.91Å
177	P	98.5	Very high	98.5	Very high	94 Å²	94	74.1 Å²	74.1	61%	0.61	41%	0.409	S	S	*	.			trans	-57.7	154.2	-178	-27.5	35.6	0	0	0	114.6	L166	L166-P177 CarbonylContact O-C 3.57Å; L166-P177 VanDerWaalsContact O-CA 3.25Å; L166-P177 WeakPolarHBondContact O-CA 3.33Å
178	S	98.8	Very high	98.5	Very high	26 Å²	26	69.6 Å²	69.6	18%	0.182	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	-163.4	170.7	-170.5	0	0	0	0	109	L166 S168 K182 E183	L166-S178 PolarHBondContact N-O 3.27Å; L166-S178 PolarHBondContact O-N 3.03Å; S168-S178 WeakPolarHBondContact OG-CB 3.37Å; S168-S178 PolarHBondContact OG-N 3.46Å; S178-K182 WeakPolarHBondContact OG-CG 3.4Å; S178-E183 WeakPolarHBondContact CB-OE1 3.36Å; S178-E183 PolarHBondContact OG-OE1 3.38Å
179	T	98.8	Very high	98.5	Very high	38 Å²	38	76.1 Å²	76.1	23%	0.233	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	151.1	163.1	68.2	0	0	0	0	110.6	R162 I164 G181 K182 E183	R162-T179 VanDerWaalsContact O-CB 3.31Å; R162-T179 WeakPolarHBondContact O-CB 3.44Å; R162-T179 WeakPolarHBondContact O-CG2 3.48Å; R162-T179 PolarHBondContact O-OG1 3.22Å; I164-T179 CarbonylContact O-C 3.51Å; I164-T179 WeakPolarHBondContact O-CA 3.46Å; I164-T179 VanDerWaalsContact O-CB 3.31Å; I164-T179 WeakPolarHBondContact O-CB 3.42Å; T179-G181 PolarHBondContact O-N 3.39Å; T179-K182 WeakPolarHBondContact O-CB 3.2Å; T179-K182 PolarHBondContact O-N 3.4Å; T179-K182 VanDerWaalsContact O-N 3.08Å; T179-K182 WeakPolarHBondContact OG1-CB 3.22Å; T179-K182 PolarHBondContact OG1-N 3.29Å; T179-K182 VanDerWaalsContact OG1-N 3.15Å; T179-E183 PolarHBondContact O-N 3.27Å
180	I	98.8	Very high	98.5	Very high	51 Å²	51	76.5 Å²	76.5	26%	0.262	41%	0.409	S	S	.	.	H	α-helix	trans	-54	-44	175	-63	-71.1	0	0	0	109.8	Y161 I164 L166 K182 E183 M184	Y161-I180 HydrophobicContact CD2-CG2 3.75Å; Y161-I180 HydrophobicContact CG-CG2 4.04Å; I164-I180 HydrophobicContact CB-CB 4.33Å; I164-I180 HydrophobicContact CB-CG1 4.13Å; I164-I180 HydrophobicContact CG2-CB 4.49Å; I164-I180 HydrophobicContact CG2-CG1 3.76Å; I164-I180 PolarHBondContact O-N 3.09Å; L166-I180 HydrophobicContact CB-CD1 4.1Å; L166-I180 HydrophobicContact CB-CG1 4.36Å; L166-I180 HydrophobicContact CD1-CD1 3.86Å; L166-I180 HydrophobicContact CD2-CD1 4.11Å; L166-I180 HydrophobicContact CG-CD1 4.23Å; I180-K182 VanDerWaalsContact C-N 3.32Å; I180-K182 PolarHBondContact O-N 3.06Å; I180-E183 PolarHBondContact O-N 3.25Å; I180-E183 VanDerWaalsContact O-N 3.13Å; I180-M184 WeakPolarHBondContact O-CG 3.42Å; I180-M184 PolarHBondContact O-N 2.96Å; I180-M184 VanDerWaalsContact O-N 3.11Å
181	G	98.9	Very high	98.6	Very high	3 Å²	3	74.8 Å²	74.8	3%	0.031	40%	0.396	C	S	.	.	H	α-helix	trans	-62.1	-37.1	178.9	0	0	0	0	0	113.4	A158 Y161 T179 E183 M184 A185	A158-G181 WeakPolarHBondContact CB-O 3.44Å; A158-G181 WeakPolarHBondContact O-CA 3.21Å; Y161-G181 WeakPolarHBondContact O-CA 3.38Å; Y161-G181 PolarHBondContact O-N 2.88Å; T179-G181 PolarHBondContact O-N 3.39Å; G181-E183 VanDerWaalsContact C-N 3.3Å; G181-E183 PolarHBondContact O-N 3.46Å; G181-M184 PolarHBondContact O-N 3.37Å; G181-A185 PolarHBondContact O-N 3.1Å
182	K	98.9	Very high	98.7	Very high	101 Å²	101	66.7 Å²	66.7	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-62.8	-36.7	174.8	176.4	58.9	179.6	60.1	0	112.1	S178 T179 I180 A185 N186	S178-K182 WeakPolarHBondContact OG-CG 3.4Å; T179-K182 WeakPolarHBondContact O-CB 3.2Å; T179-K182 PolarHBondContact O-N 3.4Å; T179-K182 VanDerWaalsContact O-N 3.08Å; T179-K182 WeakPolarHBondContact OG1-CB 3.22Å; T179-K182 PolarHBondContact OG1-N 3.29Å; T179-K182 VanDerWaalsContact OG1-N 3.15Å; I180-K182 VanDerWaalsContact C-N 3.32Å; I180-K182 PolarHBondContact O-N 3.06Å; K182-A185 PolarHBondContact O-N 3.49Å; K182-N186 PolarHBondContact NZ-ND2 2.95Å; K182-N186 PolarHBondContact NZ-OD1 3.22Å; K182-N186 PolarHBondContact O-N 3.36Å; K182-N186 PolarHBondContact O-ND2 3.24Å; K182-N186 PolarHBondContact O-OD1 3.28Å
183	E	98.9	Very high	98.7	Very high	64 Å²	64	70 Å²	70	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-71.6	-35.9	176.8	-59.2	-44.2	127.5	0	0	112.6	L166 S178 T179 I180 G181 N186	L166-E183 HydrophobicContact CD2-CG 3.73Å; S178-E183 WeakPolarHBondContact CB-OE1 3.36Å; S178-E183 PolarHBondContact OG-OE1 3.38Å; T179-E183 PolarHBondContact O-N 3.27Å; I180-E183 PolarHBondContact O-N 3.25Å; I180-E183 VanDerWaalsContact O-N 3.13Å; G181-E183 VanDerWaalsContact C-N 3.3Å; G181-E183 PolarHBondContact O-N 3.46Å; E183-N186 WeakPolarHBondContact O-CB 3.44Å; E183-N186 PolarHBondContact O-N 3.29Å; E183-N186 PolarHBondContact OE2-ND2 3.44Å
184	M	98.9	Very high	98.8	Very high	59 Å²	59	67.9 Å²	67.9	29%	0.291	35%	0.347	S	S	.	.	H	α-helix	trans	-64.1	-43.1	171.8	-61.4	-57.1	109.3	0	0	111.5	I154 L157 A158 I180 G181 N186 V187 A188	I154-M184 HydrophobicContact CG2-CB 4.11Å; I154-M184 WeakPolarHBondContact CG2-O 3.37Å; L157-M184 HydrophobicContact CB-CB 4.41Å; L157-M184 HydrophobicContact CB-CG 3.97Å; L157-M184 HydrophobicContact CB-SD 4.5Å; L157-M184 HydrophobicContact CD1-SD 4.41Å; A158-M184 HydrophobicContact CB-CB 3.89Å; I180-M184 WeakPolarHBondContact O-CG 3.42Å; I180-M184 PolarHBondContact O-N 2.96Å; I180-M184 VanDerWaalsContact O-N 3.11Å; G181-M184 PolarHBondContact O-N 3.37Å; M184-N186 VanDerWaalsContact C-N 3.27Å; M184-N186 PolarHBondContact O-N 3.32Å; M184-V187 PolarHBondContact O-N 3.26Å; M184-A188 PolarHBondContact O-N 2.92Å; M184-A188 VanDerWaalsContact O-N 3.08Å
185	A	98.9	Very high	98.8	Very high	40 Å²	40	66.3 Å²	66.3	33%	0.331	33%	0.332	S	S	.	.	H	α-helix	trans	-58.8	-36.5	178.7	0	0	0	0	0	112.9	A158 G181 K182 V187 A188 Y189	A158-A185 HydrophobicContact CB-CB 4.1Å; G181-A185 PolarHBondContact O-N 3.1Å; K182-A185 PolarHBondContact O-N 3.49Å; A185-V187 VanDerWaalsContact C-N 3.28Å; A185-V187 PolarHBondContact O-N 3.3Å; A185-A188 PolarHBondContact O-N 2.79Å; A185-Y189 WeakPolarHBondContact O-CB 3.5Å; A185-Y189 PolarHBondContact O-N 3.08Å
186	N	98.9	Very high	98.8	Very high	61 Å²	61	71.1 Å²	71.1	33%	0.326	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-41.1	175.7	-66.6	-25.7	0	0	0	111.7	K182 E183 M184 R190	K182-N186 PolarHBondContact NZ-ND2 2.95Å; K182-N186 PolarHBondContact NZ-OD1 3.22Å; K182-N186 PolarHBondContact O-N 3.36Å; K182-N186 PolarHBondContact O-ND2 3.24Å; K182-N186 PolarHBondContact O-OD1 3.28Å; E183-N186 WeakPolarHBondContact O-CB 3.44Å; E183-N186 PolarHBondContact O-N 3.29Å; E183-N186 PolarHBondContact OE2-ND2 3.44Å; M184-N186 VanDerWaalsContact C-N 3.27Å; M184-N186 PolarHBondContact O-N 3.32Å; N186-R190 WeakPolarHBondContact O-CG 3.36Å; N186-R190 PolarHBondContact O-N 3.46Å
187	V	98.9	Very high	98.8	Very high	63 Å²	63	69.8 Å²	69.8	38%	0.382	33%	0.33	S	S	.	.	H	α-helix	trans	-70.8	-50.4	179.4	-178.5	0	0	0	0	110.5	I154 M184 A185 Y189 R190 M191	I154-V187 HydrophobicContact CD1-CG1 4Å; I154-V187 HydrophobicContact CG2-CB 4.31Å; M184-V187 PolarHBondContact O-N 3.26Å; A185-V187 VanDerWaalsContact C-N 3.28Å; A185-V187 PolarHBondContact O-N 3.3Å; V187-Y189 VanDerWaalsContact C-N 3.27Å; V187-Y189 PolarHBondContact O-N 3Å; V187-R190 PolarHBondContact O-N 3.46Å; V187-R190 VanDerWaalsContact O-N 3.1Å; V187-M191 HydrophobicContact CG1-CG 4.38Å; V187-M191 HydrophobicContact CG1-SD 4.04Å; V187-M191 WeakPolarHBondContact O-CG 3.36Å; V187-M191 PolarHBondContact O-N 3.27Å
188	A	98.9	Very high	98.9	Very high	3 Å²	3	67.4 Å²	67.4	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-55.7	-42.4	178.2	0	0	0	0	0	112	I154 K155 M184 A185 R190 M191 E192	I154-A188 HydrophobicContact CB-CB 4.21Å; I154-A188 HydrophobicContact CG2-CB 3.78Å; K155-A188 HydrophobicContact CG-CB 3.93Å; M184-A188 PolarHBondContact O-N 2.92Å; M184-A188 VanDerWaalsContact O-N 3.08Å; A185-A188 PolarHBondContact O-N 2.79Å; A188-R190 PolarHBondContact O-N 3.38Å; A188-M191 PolarHBondContact O-N 3.42Å; A188-E192 PolarHBondContact O-N 3.27Å
189	Y	98.9	Very high	98.9	Very high	161 Å²	161	70 Å²	70	63%	0.631	32%	0.324	S	S	*	.	H	α-helix	trans	-61.8	-43	178.1	-172.9	-93.4	0	0	0	112.4	A185 V187 E192 R193	A185-Y189 WeakPolarHBondContact O-CB 3.5Å; A185-Y189 PolarHBondContact O-N 3.08Å; V187-Y189 VanDerWaalsContact C-N 3.27Å; V187-Y189 PolarHBondContact O-N 3Å; Y189-E192 PolarHBondContact O-N 3.44Å; Y189-R193 HydrophobicContact CE1-CG 4.43Å; Y189-R193 PolarHBondContact O-N 2.89Å
190	R	98.9	Very high	98.8	Very high	174 Å²	174	75.1 Å²	75.1	66%	0.657	35%	0.345	S	S	*	.	H	α-helix	trans	-65.2	-39.3	176.1	-71.4	168.7	62.3	-169.1	-0.9	111.7	N186 V187 A188 R193 Q194	N186-R190 WeakPolarHBondContact O-CG 3.36Å; N186-R190 PolarHBondContact O-N 3.46Å; V187-R190 PolarHBondContact O-N 3.46Å; V187-R190 VanDerWaalsContact O-N 3.1Å; A188-R190 PolarHBondContact O-N 3.38Å; R190-R193 WeakPolarHBondContact O-CB 3.41Å; R190-R193 PolarHBondContact O-N 3.28Å; R190-Q194 PolarHBondContact O-N 3.47Å
191	M	98.9	Very high	98.8	Very high	45 Å²	45	76.6 Å²	76.6	22%	0.222	36%	0.356	C	S	.	.	H	α-helix	trans	-65.6	-42.9	177	-68.7	-177.9	69.8	0	0	112.1	L150 I151 I154 V187 A188 R193 Q194 Y195	L150-M191 HydrophobicContact CB-CE 3.57Å; L150-M191 HydrophobicContact CD1-CE 4.12Å; L150-M191 HydrophobicContact CG-CE 4.49Å; I151-M191 HydrophobicContact CD1-CB 4.21Å; I151-M191 HydrophobicContact CG1-CB 3.64Å; I151-M191 HydrophobicContact CG1-CE 4.23Å; I154-M191 HydrophobicContact CD1-CE 4.4Å; I154-M191 HydrophobicContact CD1-SD 3.38Å; I154-M191 WeakPolarHBondContact CD1-SD 3.47Å; V187-M191 HydrophobicContact CG1-CG 4.38Å; V187-M191 HydrophobicContact CG1-SD 4.04Å; V187-M191 WeakPolarHBondContact O-CG 3.36Å; V187-M191 PolarHBondContact O-N 3.27Å; A188-M191 PolarHBondContact O-N 3.42Å; M191-R193 PolarHBondContact O-N 2.91Å; M191-Q194 PolarHBondContact O-N 3.05Å; M191-Y195 PolarHBondContact O-N 2.71Å
192	E	98.9	Very high	98.8	Very high	22 Å²	22	84.1 Å²	84.1	10%	0.103	39%	0.39	C	S	.	.	H	α-helix	trans	-60.6	-33.8	177	-166.9	77.4	-125.5	0	0	111.8	R148 I151 K155 A188 Y189 R196	R148-E192 IonicContact CZ-OE1 3.38Å; R148-E192 IonicContact CZ-OE2 3.14Å; R148-E192 IonicContact NH1-OE1 3.73Å; R148-E192 PolarHBondContact NH1-OE1 3.19Å; R148-E192 IonicContact NH1-OE2 3.22Å; R148-E192 PolarHBondContact NH1-OE2 3.36Å; R148-E192 IonicContact NH2-OE1 2.79Å; R148-E192 PolarHBondContact NH2-OE1 3.04Å; R148-E192 IonicContact NH2-OE2 3.6Å; I151-E192 WeakPolarHBondContact CG2-OE2 3.38Å; K155-E192 IonicContact NZ-OE2 3.96Å; K155-E192 PolarHBondContact NZ-OE2 3.08Å; A188-E192 PolarHBondContact O-N 3.27Å; Y189-E192 PolarHBondContact O-N 3.44Å; E192-R196 WeakPolarHBondContact O-CG 3.49Å; E192-R196 PolarHBondContact O-N 3.26Å
193	R	98.9	Very high	98.8	Very high	114 Å²	114	82 Å²	82	43%	0.43	38%	0.383	S	S	.	.	H	α-helix	trans	-60.5	-49.1	171.6	-68.8	176.7	59.8	-88.4	-5.7	111.5	Y189 R190 M191 R196 Q197	Y189-R193 HydrophobicContact CE1-CG 4.43Å; Y189-R193 PolarHBondContact O-N 2.89Å; R190-R193 WeakPolarHBondContact O-CB 3.41Å; R190-R193 PolarHBondContact O-N 3.28Å; M191-R193 PolarHBondContact O-N 2.91Å; R193-R196 PolarHBondContact O-N 2.95Å; R193-Q197 WeakPolarHBondContact O-CG 3.32Å; R193-Q197 PolarHBondContact O-N 3.13Å; R193-Q197 VanDerWaalsContact O-N 3.15Å
194	Q	98.9	Very high	98.8	Very high	80 Å²	80	85.3 Å²	85.3	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-67.1	-38.5	-179.2	-56	-42.2	125.5	0	0	112	W147 R190 M191 R196 Q197 L198	W147-Q194 HydrophobicContact CH2-CB 4.28Å; W147-Q194 HydrophobicContact CZ3-CB 3.87Å; R190-Q194 PolarHBondContact O-N 3.47Å; M191-Q194 PolarHBondContact O-N 3.05Å; Q194-R196 VanDerWaalsContact C-N 3.32Å; Q194-R196 PolarHBondContact O-N 3.29Å; Q194-Q197 PolarHBondContact O-N 3.22Å; Q194-Q197 VanDerWaalsContact O-N 3.16Å; Q194-L198 PolarHBondContact O-N 3.03Å
195	Y	98.9	Very high	98.8	Very high	47 Å²	47	84.7 Å²	84.7	18%	0.184	41%	0.411	C	S	.	.	H	α-helix	trans	-54.2	-49	175.5	-178.3	-83.1	0	0	0	111.5	L144 W147 R148 I151 M191 Q197 L198 N199	L144-Y195 HydrophobicContact CB-CE2 3.95Å; L144-Y195 HydrophobicContact CD2-CD2 3.74Å; L144-Y195 HydrophobicContact CD2-CE2 3.62Å; L144-Y195 HydrophobicContact CD2-CG 4.28Å; L144-Y195 HydrophobicContact CG-CE2 4.35Å; L144-Y195 WeakPolarHBondContact O-CE2 3.31Å; W147-Y195 HydrophobicContact CB-CD2 3.91Å; W147-Y195 HydrophobicContact CB-CE2 4.41Å; W147-Y195 HydrophobicContact CE3-CD2 4.38Å; R148-Y195 HydrophobicContact CB-CE2 4.24Å; I151-Y195 HydrophobicContact CD1-CD2 3.96Å; I151-Y195 HydrophobicContact CD1-CG 4.07Å; M191-Y195 PolarHBondContact O-N 2.71Å; Y195-Q197 PolarHBondContact O-N 3.38Å; Y195-L198 PolarHBondContact O-N 2.62Å; Y195-N199 WeakPolarHBondContact O-CB 3.5Å; Y195-N199 PolarHBondContact O-N 3.15Å; Y195-N199 VanDerWaalsContact O-N 3.07Å
196	R	98.8	Very high	98.8	Very high	127 Å²	127	86.3 Å²	86.3	48%	0.479	41%	0.411	S	S	.	.	H	α-helix	trans	-62.1	-43.8	176.8	-67.2	-179.5	-167.9	115	-2.3	111.9	E192 R193 Q194 N199 Q200	E192-R196 WeakPolarHBondContact O-CG 3.49Å; E192-R196 PolarHBondContact O-N 3.26Å; R193-R196 PolarHBondContact O-N 2.95Å; Q194-R196 VanDerWaalsContact C-N 3.32Å; Q194-R196 PolarHBondContact O-N 3.29Å; R196-N199 PolarHBondContact O-N 3.11Å; R196-Q200 VanDerWaalsContact O-CG 3.23Å; R196-Q200 WeakPolarHBondContact O-CG 3.31Å; R196-Q200 PolarHBondContact O-N 3.42Å; R196-Q200 VanDerWaalsContact O-N 3.15Å
197	Q	98.9	Very high	98.8	Very high	92 Å²	92	86.7 Å²	86.7	43%	0.43	41%	0.412	S	S	.	.	H	α-helix	trans	-61.1	-48.2	179	-69.4	178.8	-97	0	0	111.6	R193 Q194 Y195 N199 Q200 V201	R193-Q197 WeakPolarHBondContact O-CG 3.32Å; R193-Q197 PolarHBondContact O-N 3.13Å; R193-Q197 VanDerWaalsContact O-N 3.15Å; Q194-Q197 PolarHBondContact O-N 3.22Å; Q194-Q197 VanDerWaalsContact O-N 3.16Å; Y195-Q197 PolarHBondContact O-N 3.38Å; Q197-N199 VanDerWaalsContact C-N 3.33Å; Q197-N199 PolarHBondContact O-N 3.08Å; Q197-Q200 PolarHBondContact O-N 3.5Å; Q197-Q200 VanDerWaalsContact O-N 3.14Å; Q197-V201 WeakPolarHBondContact O-CG2 3.43Å; Q197-V201 PolarHBondContact O-N 2.9Å
198	L	98.8	Very high	98.8	Very high	44 Å²	44	88.2 Å²	88.2	23%	0.23	42%	0.418	C	S	.	.	H	α-helix	trans	-60.8	-42.9	179	176.9	60.2	0	0	0	111.8	R139 I143 L144 W147 Q194 Y195 Q200 V201	R139-L198 HydrophobicContact CG-CD1 4.3Å; R139-L198 HydrophobicContact CG-CD2 4.38Å; R139-L198 HydrophobicContact CG-CG 4.09Å; I143-L198 HydrophobicContact CG2-CD2 3.7Å; L144-L198 HydrophobicContact CD2-CB 4.42Å; L144-L198 HydrophobicContact CD2-CD2 3.83Å; L144-L198 HydrophobicContact CD2-CG 4.17Å; L144-L198 HydrophobicContact CG-CD2 4.42Å; W147-L198 HydrophobicContact CD2-CD2 4.44Å; W147-L198 HydrophobicContact CE3-CD2 4.14Å; W147-L198 HydrophobicContact CH2-CB 4.31Å; W147-L198 HydrophobicContact CH2-CD2 3.77Å; W147-L198 HydrophobicContact CZ2-CD2 4.1Å; W147-L198 HydrophobicContact CZ3-CB 3.96Å; W147-L198 HydrophobicContact CZ3-CD2 3.78Å; Q194-L198 PolarHBondContact O-N 3.03Å; Y195-L198 PolarHBondContact O-N 2.62Å; L198-Q200 PolarHBondContact O-N 2.93Å; L198-V201 PolarHBondContact O-N 3.39Å
199	N	98.6	Very high	98.7	Very high	82 Å²	82	88.6 Å²	88.6	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-65.9	-21.9	179.1	-165.2	45.7	0	0	0	113.2	L144 Y195 R196 Q197	L144-N199 HydrophobicContact CD1-CB 4.19Å; L144-N199 WeakPolarHBondContact CD1-OD1 3.18Å; Y195-N199 WeakPolarHBondContact O-CB 3.5Å; Y195-N199 PolarHBondContact O-N 3.15Å; Y195-N199 VanDerWaalsContact O-N 3.07Å; R196-N199 PolarHBondContact O-N 3.11Å; Q197-N199 VanDerWaalsContact C-N 3.33Å; Q197-N199 PolarHBondContact O-N 3.08Å
200	Q	98.7	Very high	98.6	Very high	145 Å²	145	85.1 Å²	85.1	68%	0.678	43%	0.427	S	S	*	.	H	α-helix	trans	-91.7	-8.2	179.2	-72.4	169.8	-1	0	0	113.6	R196 Q197 L198 E202	R196-Q200 VanDerWaalsContact O-CG 3.23Å; R196-Q200 WeakPolarHBondContact O-CG 3.31Å; R196-Q200 PolarHBondContact O-N 3.42Å; R196-Q200 VanDerWaalsContact O-N 3.15Å; Q197-Q200 PolarHBondContact O-N 3.5Å; Q197-Q200 VanDerWaalsContact O-N 3.14Å; L198-Q200 PolarHBondContact O-N 2.93Å; Q200-E202 PolarHBondContact O-N 2.88Å
201	V	98.8	Very high	98.3	Very high	82 Å²	82	85.5 Å²	85.5	50%	0.497	45%	0.448	S	S	.	.			trans	-63.9	127	179.1	176.7	0	0	0	0	109.8	R139 Q197 L198 I203	R139-V201 PolarHBondContact NH1-O 2.78Å; Q197-V201 WeakPolarHBondContact O-CG2 3.43Å; Q197-V201 PolarHBondContact O-N 2.9Å; L198-V201 PolarHBondContact O-N 3.39Å; V201-I203 PolarHBondContact O-N 3.12Å
202	E	98.7	Very high	98.3	Very high	161 Å²	161	87.5 Å²	87.5	75%	0.752	46%	0.459	S	S	*	.			trans	-71	125.6	171.9	-62.1	179.4	120.9	0	0	109.5	Q200 L204	Q200-E202 PolarHBondContact O-N 2.88Å; E202-L204 HydrophobicContact CB-CD2 3.88Å
203	I	98.7	Very high	98.3	Very high	55 Å²	55	90.9 Å²	90.9	28%	0.282	48%	0.478	S	S	.	.			trans	-100.6	104	172.2	-61.8	179.2	0	0	0	106.4	A132 L135 K136 V201	A132-I203 HydrophobicContact CB-CG2 3.83Å; A132-I203 WeakPolarHBondContact O-CG2 3.14Å; L135-I203 HydrophobicContact CB-CD1 4.32Å; K136-I203 VanDerWaalsContact CA-CD1 3.44Å; K136-I203 HydrophobicContact CB-CD1 3.77Å; K136-I203 HydrophobicContact CG-CD1 4.34Å; V201-I203 PolarHBondContact O-N 3.12Å
204	L	98.7	Very high	98.2	Very high	134 Å²	134	89.7 Å²	89.7	70%	0.702	48%	0.481	S	S	*	.			trans	-84.8	160.8	-172.2	-54.4	-179	0	0	0	111.5	A132 E202	A132-L204 WeakPolarHBondContact CB-O 3.25Å; E202-L204 HydrophobicContact CB-CD2 3.88Å
205	G	98.6	Very high	98.2	Very high	47 Å²	47	90.2 Å²	90.2	49%	0.485	49%	0.487	S	S	.	.			trans	-156.8	153.2	173.8	0	0	0	0	0	110.5	N128	N128-G205 VanDerWaalsContact OD1-CA 3.31Å; N128-G205 WeakPolarHBondContact OD1-CA 3.14Å
206	K	98.7	Very high	98.1	Very high	73 Å²	73	92.9 Å²	92.9	32%	0.317	51%	0.506	S	S	.	.			trans	-139.3	154.9	-178.4	70.7	90.9	-169.3	-179.6	0	111.2	D125 N128 N208	D125-K206 WeakPolarHBondContact OD1-CE 3.31Å; D125-K206 IonicContact OD1-NZ 3.61Å; D125-K206 PolarHBondContact OD1-NZ 3.26Å; N128-K206 PolarHBondContact ND2-O 2.98Å; N128-K206 PolarHBondContact OD1-N 3.38Å; N128-K206 PolarHBondContact OD1-O 3.04Å; K206-N208 WeakPolarHBondContact CD-OD1 3.37Å; K206-N208 PolarHBondContact NZ-OD1 2.93Å
207	I	98.7	Very high	98.1	Very high	69 Å²	69	90.7 Å²	90.7	35%	0.354	51%	0.508	S	S	.	.			trans	-149.1	105.4	168.1	-179.5	154	0	0	0	108.9	W43 D125 L129	W43-I207 HydrophobicContact CD2-CD1 3.86Å; W43-I207 HydrophobicContact CE3-CD1 3.51Å; W43-I207 HydrophobicContact CH2-CD1 4.08Å; W43-I207 HydrophobicContact CH2-CG1 4.39Å; W43-I207 HydrophobicContact CZ2-CD1 4.39Å; W43-I207 HydrophobicContact CZ3-CD1 3.63Å; W43-I207 HydrophobicContact CZ3-CG1 4.22Å; D125-I207 HydrophobicContact CB-CB 4.29Å; D125-I207 HydrophobicContact CB-CD1 4.14Å; D125-I207 HydrophobicContact CB-CG1 3.83Å; D125-I207 VanDerWaalsContact OD1-CA 3.25Å; D125-I207 WeakPolarHBondContact OD1-CA 3.4Å; L129-I207 HydrophobicContact CD1-CB 4.4Å
208	N	98.4	Very high	98	Very high	95 Å²	95	90.6 Å²	90.6	51%	0.508	51%	0.513	S	S	.	.			trans	-148.9	10.2	-170.4	68.5	-19.9	0	0	0	115	D125 K206	D125-N208 PolarHBondContact OD1-N 3.13Å; K206-N208 WeakPolarHBondContact CD-OD1 3.37Å; K206-N208 PolarHBondContact NZ-OD1 2.93Å
209	G	97.7	Very high	98	Very high	11 Å²	11	94.2 Å²	94.2	11%	0.113	54%	0.535	C	S	.	.	S	Bend	trans	79.9	-156.2	-179.7	0	0	0	0	0	112.5	T122 D125 V211	T122-G209 WeakPolarHBondContact CG2-O 3.47Å; D125-G209 PolarHBondContact OD1-N 2.9Å; D125-G209 VanDerWaalsContact OD2-CA 3.31Å; D125-G209 WeakPolarHBondContact OD2-CA 3.25Å; D125-G209 PolarHBondContact OD2-N 2.83Å; G209-V211 PolarHBondContact O-N 3.25Å
210	A	96.9	Very high	97.9	Very high	88 Å²	88	95.2 Å²	95.2	73%	0.727	54%	0.543	S	S	*	.			trans	-66.6	-28.4	-160.7	0	0	0	0	0	116.1
211	V	92.7	Very high	97.9	Very high	182 Å²	182	90.6 Å²	90.6	100%	1.103	53%	0.531	S	S	*	.			trans	-138.2	0	-175.4	-66.6	0	0	0	0	112.7	G209	G209-V211 PolarHBondContact O-N 3.25Å

Retrieved 211 of 211 residues in 1110.3 ms (Link to these results)

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