A0A077Z8A5_TRITR Loading...

Voltage-dependent calcium channel subunit alpha-2

AlphaFold DB , UniProt , Accession A0A077Z8A5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 159 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	44.7	Very low	51.2	Low	245 Å²	245	147.4 Å²	147.4	100%	1.207	75%	0.747	S	S	*	*				0	107.5	0	-72.3	-161	-163.9	0	0	106.4
2	D	52.7	Low	51	Low	140 Å²	140	148.1 Å²	148.1	75%	0.749	75%	0.752	S	S	*	*			trans	-76.3	128.1	-171.7	-76.3	-31.3	0	0	0	111.5	N4 D5	D2-N4 PolarHBondContact O-N 3.44Å; D2-D5 PolarHBondContact O-N 2.93Å
3	Q	53.6	Low	50.6	Low	175 Å²	175	141.7 Å²	141.7	82%	0.818	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-16.6	179.8	-91.3	172	-32.9	0	0	114.5	D5 L6	Q3-D5 VanDerWaalsContact C-N 3.34Å; Q3-D5 PolarHBondContact O-N 3.23Å; Q3-L6 PolarHBondContact O-N 3.32Å
4	N	54.4	Low	50.2	Low	121 Å²	121	142.9 Å²	142.9	65%	0.647	75%	0.751	S	S	*	*	H	α-helix	trans	-68.7	-26.5	179.6	-92.9	-17	0	0	0	114.3	D2 L6 S7	D2-N4 PolarHBondContact O-N 3.44Å; N4-L6 VanDerWaalsContact C-N 3.34Å; N4-S7 PolarHBondContact O-OG 3.46Å
5	D	53.5	Low	49.8	Very low	129 Å²	129	141.3 Å²	141.3	69%	0.69	76%	0.757	S	S	*	*	H	α-helix	trans	-75.2	-25.4	179	-85.6	-14	0	0	0	112.7	D2 Q3	D2-D5 PolarHBondContact O-N 2.93Å; Q3-D5 VanDerWaalsContact C-N 3.34Å; Q3-D5 PolarHBondContact O-N 3.23Å
6	L	53.4	Low	49.6	Very low	137 Å²	137	147.6 Å²	147.6	72%	0.717	77%	0.767	S	S	*	*	H	α-helix	trans	-72.8	-34.1	176.7	-93.1	136.2	0	0	0	112.6	Q3 N4 T10	Q3-L6 PolarHBondContact O-N 3.32Å; N4-L6 VanDerWaalsContact C-N 3.34Å; L6-T10 PolarHBondContact O-OG1 3.32Å; L6-T10 VanDerWaalsContact O-OG1 3.1Å
7	S	52	Low	49.7	Very low	68 Å²	68	150.8 Å²	150.8	48%	0.476	77%	0.773	S	S	.	*	H	α-helix	trans	-75.1	-34.5	-178	75.9	0	0	0	0	112.9	N4 K9 T10	N4-S7 PolarHBondContact O-OG 3.46Å; S7-K9 VanDerWaalsContact C-N 3.28Å; S7-K9 PolarHBondContact O-N 3.5Å; S7-T10 PolarHBondContact O-N 3.37Å
8	K	51.2	Low	49.5	Very low	155 Å²	155	154.7 Å²	154.7	67%	0.674	78%	0.777	S	S	*	*	H	α-helix	trans	-66.1	-30	178.2	-75.3	-176.4	178.9	175.8	0	112.7	T10	K8-T10 VanDerWaalsContact C-N 3.33Å; K8-T10 PolarHBondContact O-N 3.1Å
9	K	50	Low	49.5	Very low	183 Å²	183	158.8 Å²	158.8	80%	0.796	78%	0.782	S	S	*	*	H	α-helix	trans	-75.1	-22.9	-179.5	-144.6	166.3	-175.5	175.9	0	113	S7	S7-K9 VanDerWaalsContact C-N 3.28Å; S7-K9 PolarHBondContact O-N 3.5Å
10	T	49.2	Very low	49.5	Very low	106 Å²	106	160.8 Å²	160.8	65%	0.65	79%	0.786	S	S	*	*	H	α-helix	trans	-80.3	-18.1	-176.1	-38.3	0	0	0	0	113.5	L6 S7 K8	L6-T10 PolarHBondContact O-OG1 3.32Å; L6-T10 VanDerWaalsContact O-OG1 3.1Å; S7-T10 PolarHBondContact O-N 3.37Å; K8-T10 VanDerWaalsContact C-N 3.33Å; K8-T10 PolarHBondContact O-N 3.1Å
11	M	48.5	Very low	49.6	Very low	162 Å²	162	159.2 Å²	159.2	80%	0.798	78%	0.78	S	S	*	*	S	Bend	trans	-95.4	-9.8	-172.4	-77.7	-91.6	-73.5	0	0	115.3	G13	M11-G13 VanDerWaalsContact C-N 3.32Å; M11-G13 PolarHBondContact O-N 3.47Å
12	I	49.3	Very low	49.9	Very low	156 Å²	156	156.8 Å²	156.8	80%	0.8	77%	0.766	S	S	*	*	S	Bend	trans	-84.2	-5.7	-175.7	-63.4	173.3	0	0	0	112.4
13	G	45.9	Very low	49.7	Very low	65 Å²	65	157.7 Å²	157.7	67%	0.67	76%	0.763	S	S	*	*	S	Bend	trans	-100.9	-4.8	-167.6	0	0	0	0	0	119.2	M11	M11-G13 VanDerWaalsContact C-N 3.32Å; M11-G13 PolarHBondContact O-N 3.47Å
14	L	44.9	Very low	49.1	Very low	158 Å²	158	156 Å²	156	83%	0.827	76%	0.76	S	S	*	*			trans	-118.8	21.4	-161.6	-77.5	167.4	0	0	0	117.3	R16	L14-R16 PolarHBondContact O-N 3.21Å
15	S	44.1	Very low	49	Very low	120 Å²	120	156.1 Å²	156.1	84%	0.839	77%	0.767	S	S	*	*			trans	-97.6	41.8	176.2	-61.6	0	0	0	0	114	K17	S15-K17 PolarHBondContact O-N 3.38Å
16	R	46.5	Very low	48.9	Very low	242 Å²	242	155.3 Å²	155.3	91%	0.913	77%	0.767	S	S	*	*			trans	-92.9	82.1	160.2	-104.3	-176.6	-174.8	171.3	2.5	108.6	L14 R18	L14-R16 PolarHBondContact O-N 3.21Å; R16-R18 PolarHBondContact O-N 2.77Å
17	K	50.7	Low	48.5	Very low	201 Å²	201	155.7 Å²	155.7	87%	0.874	77%	0.769	S	S	*	*			trans	-54.4	103.6	164.4	-69.9	-171.3	176.8	-175.5	0	107.6	S15 R19	S15-K17 PolarHBondContact O-N 3.38Å; K17-R19 PolarHBondContact O-N 3Å
18	R	46.9	Very low	48.5	Very low	221 Å²	221	157.9 Å²	157.9	83%	0.834	78%	0.78	S	S	*	*			trans	-60	106	167.7	-73.8	-179.8	173.6	177.8	-2.5	106	R16 F20	R16-R18 PolarHBondContact O-N 2.77Å; R18-F20 PolarHBondContact O-N 3.3Å
19	R	48.5	Very low	48.2	Very low	234 Å²	234	156.1 Å²	156.1	88%	0.883	78%	0.782	S	S	*	*			trans	-64.5	106.6	165.1	-64.7	-175	-165.6	-174.6	3.8	104.7	K17 I21	K17-R19 PolarHBondContact O-N 3Å; R19-I21 VanDerWaalsContact C-N 3.28Å; R19-I21 PolarHBondContact O-N 2.96Å
20	F	50.2	Low	48	Very low	197 Å²	197	154.7 Å²	154.7	86%	0.864	78%	0.778	S	S	*	*			trans	-59.3	102.6	164.4	-70.3	-88.6	0	0	0	104.8	R18 E22	R18-F20 PolarHBondContact O-N 3.3Å; F20-E22 PolarHBondContact O-N 3.3Å; F20-E22 VanDerWaalsContact O-N 3.08Å
21	I	52.1	Low	47.9	Very low	129 Å²	129	155.5 Å²	155.5	66%	0.662	78%	0.778	S	S	*	*			trans	-69.6	109.2	169.2	-50.2	175.4	0	0	0	102.9	R19 K23	R19-I21 VanDerWaalsContact C-N 3.28Å; R19-I21 PolarHBondContact O-N 2.96Å; I21-K23 HydrophobicContact CB-CG 4.31Å; I21-K23 HydrophobicContact CG2-CG 3.74Å; I21-K23 PolarHBondContact O-N 3.49Å
22	E	49.5	Very low	47.9	Very low	194 Å²	194	155.3 Å²	155.3	91%	0.907	78%	0.779	S	S	*	*			trans	-62.5	77.7	167.4	-155.5	169	-148.6	0	0	105.8	F20	F20-E22 PolarHBondContact O-N 3.3Å; F20-E22 VanDerWaalsContact O-N 3.08Å
23	K	50.2	Low	48	Very low	159 Å²	159	152.8 Å²	152.8	69%	0.691	78%	0.776	S	S	*	*			trans	-85.6	116.2	172.1	-84.8	-174	174.2	-176.1	0	105.2	I21	I21-K23 HydrophobicContact CB-CG 4.31Å; I21-K23 HydrophobicContact CG2-CG 3.74Å; I21-K23 PolarHBondContact O-N 3.49Å
24	D	41	Very low	48.3	Very low	138 Å²	138	153.4 Å²	153.4	74%	0.738	78%	0.775	S	S	*	*			trans	-36.5	148.6	165.4	-66.2	-50	0	0	0	111.6	V26	D24-V26 PolarHBondContact O-N 3.45Å
25	P	50.9	Low	48.3	Very low	125 Å²	125	153.5 Å²	153.5	81%	0.812	77%	0.771	S	S	*	*			trans	-51.1	112	-174.1	20.7	-32.5	0	0	0	109.3	D27	P25-D27 PolarHBondContact O-N 3.11Å
26	V	52.1	Low	48.9	Very low	112 Å²	112	152.6 Å²	152.6	68%	0.679	76%	0.762	S	S	*	*			trans	-56.3	112.3	173.3	174.4	0	0	0	0	105.2	D24 V28	D24-V26 PolarHBondContact O-N 3.45Å; V26-V28 WeakPolarHBondContact O-CG2 3.13Å; V26-V28 PolarHBondContact O-N 3.1Å
27	D	45.9	Very low	49.2	Very low	144 Å²	144	145.1 Å²	145.1	77%	0.77	75%	0.745	S	S	*	*			trans	-62.9	95.8	174.7	-154.8	2.6	0	0	0	105.8	P25 V29	P25-D27 PolarHBondContact O-N 3.11Å; D27-V29 PolarHBondContact O-N 2.97Å
28	V	50.6	Low	49.8	Very low	115 Å²	115	142.4 Å²	142.4	70%	0.697	74%	0.74	S	S	*	*			trans	-72.3	82.9	178.6	-174.7	0	0	0	0	104.8	V26 Q30	V26-V28 WeakPolarHBondContact O-CG2 3.13Å; V26-V28 PolarHBondContact O-N 3.1Å; V28-Q30 VanDerWaalsContact C-N 3.27Å; V28-Q30 PolarHBondContact O-N 3.26Å
29	V	45.6	Very low	50.4	Low	118 Å²	118	136.3 Å²	136.3	72%	0.715	72%	0.723	S	S	*	*			trans	-55.2	102.8	165.4	179.1	0	0	0	0	104.8	D27 N31	D27-V29 PolarHBondContact O-N 2.97Å; V29-N31 VanDerWaalsContact C-N 3.31Å; V29-N31 PolarHBondContact O-N 2.97Å
30	Q	46.4	Very low	50.9	Low	153 Å²	153	126.8 Å²	126.8	72%	0.715	69%	0.692	S	S	*	*			trans	-55.2	105.3	171.6	-83.9	-177	-5.5	0	0	105.4	V28 L32	V28-Q30 VanDerWaalsContact C-N 3.27Å; V28-Q30 PolarHBondContact O-N 3.26Å; Q30-L32 HydrophobicContact CB-CD2 4.42Å; Q30-L32 HydrophobicContact CB-CG 4.38Å; Q30-L32 PolarHBondContact O-N 3.45Å
31	N	45.8	Very low	51.5	Low	122 Å²	122	124 Å²	124	65%	0.652	69%	0.685	S	S	*	*			trans	-74.1	80.1	177.8	-155.8	-12.5	0	0	0	106.2	V29 S33 A34	V29-N31 VanDerWaalsContact C-N 3.31Å; V29-N31 PolarHBondContact O-N 2.97Å; N31-S33 PolarHBondContact O-N 3.24Å; N31-A34 WeakPolarHBondContact O-CB 3.41Å; N31-A34 PolarHBondContact O-N 2.89Å
32	L	49.7	Very low	51.6	Low	158 Å²	158	119.8 Å²	119.8	83%	0.827	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-6.3	179.7	-67.1	170.9	0	0	0	112.3	Q30	Q30-L32 HydrophobicContact CB-CD2 4.42Å; Q30-L32 HydrophobicContact CB-CG 4.38Å; Q30-L32 PolarHBondContact O-N 3.45Å
33	S	51.2	Low	52	Low	104 Å²	104	111.9 Å²	111.9	73%	0.727	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-3.6	173.4	-165.3	0	0	0	0	113.6	N31 Q35	N31-S33 PolarHBondContact O-N 3.24Å; S33-Q35 PolarHBondContact O-N 2.83Å
34	A	51.7	Low	52.7	Low	78 Å²	78	107.6 Å²	107.6	65%	0.645	61%	0.61	S	S	*	*			trans	-74.4	71.1	171.8	0	0	0	0	0	109.5	N31	N31-A34 WeakPolarHBondContact O-CB 3.41Å; N31-A34 PolarHBondContact O-N 2.89Å
35	Q	45.7	Very low	53.4	Low	159 Å²	159	104 Å²	104	74%	0.743	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-50.6	123.9	163.8	-162.3	167	0.7	0	0	106.4	S33	S33-Q35 PolarHBondContact O-N 2.83Å
36	P	55.3	Low	53.8	Low	102 Å²	102	98.4 Å²	98.4	66%	0.662	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-55	132.8	-179.7	20.2	-29.7	0	0	0	107.6	D38	P36-D38 PolarHBondContact O-N 3.44Å; P36-D38 VanDerWaalsContact O-N 3.16Å
37	P	54.1	Low	54	Low	85 Å²	85	100.1 Å²	100.1	55%	0.552	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-56.6	127.2	-176.7	21.9	-32.3	0	0	0	108.7	I39	P37-I39 PolarHBondContact O-N 2.96Å
38	D	63.6	Low	54.6	Low	144 Å²	144	98.7 Å²	98.7	77%	0.77	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-47	126.5	-179.9	-76.1	-31.1	0	0	0	109.5	P36 P40	P36-D38 PolarHBondContact O-N 3.44Å; P36-D38 VanDerWaalsContact O-N 3.16Å; D38-P40 WeakPolarHBondContact O-CD 3.42Å
39	I	58.6	Low	55	Low	93 Å²	93	95.7 Å²	95.7	48%	0.477	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-76.1	121.9	177.7	-61.3	173.9	0	0	0	106.5	P37 D41 L43 N44	P37-I39 PolarHBondContact O-N 2.96Å; I39-D41 PolarHBondContact O-N 3.23Å; I39-L43 HydrophobicContact CG2-CB 4.06Å; I39-L43 HydrophobicContact CG2-CD2 3.91Å; I39-N44 WeakPolarHBondContact CG2-OD1 3.08Å
40	P	59.3	Low	55.5	Low	34 Å²	34	94.7 Å²	94.7	22%	0.221	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-60	138.9	178.2	-22.6	33	0	0	0	111.2	D38 W42 L43 N44	D38-P40 WeakPolarHBondContact O-CD 3.42Å; P40-W42 VanDerWaalsContact CB-CD1 3.42Å; P40-W42 HydrophobicContact CB-CG 4.33Å; P40-W42 VanDerWaalsContact CB-NE1 3.35Å; P40-W42 PolarHBondContact O-N 3.11Å; P40-W42 VanDerWaalsContact O-N 3.1Å; P40-L43 HydrophobicContact CB-CB 4.47Å; P40-L43 WeakPolarHBondContact O-CA 3.39Å; P40-L43 WeakPolarHBondContact O-CB 3.43Å; P40-L43 PolarHBondContact O-N 3.36Å; P40-N44 PolarHBondContact O-N 2.97Å
41	D	61.6	Low	56.1	Low	137 Å²	137	90.8 Å²	90.8	73%	0.733	49%	0.491	S	S	*	.	H	α-helix	trans	-54.9	-34.2	-177.3	-66.4	-28.1	0	0	0	113.5	I39 L43 N44 F45	I39-D41 PolarHBondContact O-N 3.23Å; D41-L43 PolarHBondContact O-N 2.61Å; D41-N44 PolarHBondContact O-N 3.21Å; D41-F45 WeakPolarHBondContact O-CB 3.35Å; D41-F45 PolarHBondContact O-N 3.31Å
42	W	54.9	Low	56.7	Low	42 Å²	42	91 Å²	91	16%	0.159	49%	0.493	C	S	.	.	H	α-helix	trans	-64	-30.2	177.7	73.2	-98.8	0	0	0	112.3	P40 F45 A46 L74 M78 L111	P40-W42 VanDerWaalsContact CB-CD1 3.42Å; P40-W42 HydrophobicContact CB-CG 4.33Å; P40-W42 VanDerWaalsContact CB-NE1 3.35Å; P40-W42 PolarHBondContact O-N 3.11Å; P40-W42 VanDerWaalsContact O-N 3.1Å; W42-F45 PolarHBondContact O-N 2.86Å; W42-A46 HydrophobicContact CE3-CB 4.41Å; W42-A46 WeakPolarHBondContact O-CB 3.34Å; W42-A46 PolarHBondContact O-N 2.92Å; W42-L74 HydrophobicContact CH2-CD2 3.96Å; W42-L74 HydrophobicContact CZ3-CD2 4.4Å; W42-M78 HydrophobicContact CH2-SD 3.89Å; W42-M78 HydrophobicContact CZ2-CE 4.3Å; W42-M78 HydrophobicContact CZ2-SD 3.99Å; W42-L111 HydrophobicContact CB-CD2 3.69Å; W42-L111 HydrophobicContact CD2-CD1 4.5Å; W42-L111 HydrophobicContact CD2-CD2 3.96Å; W42-L111 HydrophobicContact CE3-CD1 4.24Å; W42-L111 HydrophobicContact CE3-CD2 4.14Å; W42-L111 HydrophobicContact CG-CD2 3.79Å; W42-L111 HydrophobicContact CZ3-CD1 4.46Å
43	L	59	Low	57.1	Low	28 Å²	28	85.5 Å²	85.5	15%	0.147	47%	0.466	C	S	.	.	H	α-helix	trans	-75.9	-39.5	-178.3	-154.4	143.5	0	0	0	109.5	I39 P40 D41 A46 Y47 L75 M78	I39-L43 HydrophobicContact CG2-CB 4.06Å; I39-L43 HydrophobicContact CG2-CD2 3.91Å; P40-L43 HydrophobicContact CB-CB 4.47Å; P40-L43 WeakPolarHBondContact O-CA 3.39Å; P40-L43 WeakPolarHBondContact O-CB 3.43Å; P40-L43 PolarHBondContact O-N 3.36Å; D41-L43 PolarHBondContact O-N 2.61Å; L43-A46 PolarHBondContact O-N 3.1Å; L43-Y47 WeakPolarHBondContact O-CB 3.19Å; L43-Y47 PolarHBondContact O-N 3.49Å; L43-L75 HydrophobicContact CD1-CD2 3.76Å; L43-L75 HydrophobicContact CD2-CD2 3.23Å; L43-L75 HydrophobicContact CG-CD2 3.29Å; L43-M78 HydrophobicContact CD1-CE 3.73Å; L43-M78 HydrophobicContact CD1-SD 3.98Å
44	N	63.2	Low	57.4	Low	69 Å²	69	87.8 Å²	87.8	37%	0.369	47%	0.465	S	S	.	.	H	α-helix	trans	-61.6	-48.6	167.8	-71.4	-28.4	0	0	0	111.1	I39 P40 D41 A46 Y47 E48	I39-N44 WeakPolarHBondContact CG2-OD1 3.08Å; P40-N44 PolarHBondContact O-N 2.97Å; D41-N44 PolarHBondContact O-N 3.21Å; N44-A46 VanDerWaalsContact C-N 3.32Å; N44-A46 PolarHBondContact O-N 2.98Å; N44-Y47 PolarHBondContact O-N 2.89Å; N44-Y47 VanDerWaalsContact O-N 3.16Å; N44-E48 WeakPolarHBondContact O-CB 3.37Å; N44-E48 WeakPolarHBondContact O-CG 3.3Å; N44-E48 PolarHBondContact O-N 3.28Å
45	F	56.4	Low	57.6	Low	63 Å²	63	91.3 Å²	91.3	28%	0.276	47%	0.468	S	S	.	.	H	α-helix	trans	-59	-43.3	177.6	175.3	-99.3	0	0	0	112.1	D41 W42 Y47 T49 F127 E130	D41-F45 WeakPolarHBondContact O-CB 3.35Å; D41-F45 PolarHBondContact O-N 3.31Å; W42-F45 PolarHBondContact O-N 2.86Å; F45-Y47 VanDerWaalsContact C-N 3.34Å; F45-T49 VanDerWaalsContact O-CB 3.23Å; F45-T49 WeakPolarHBondContact O-CB 3.09Å; F45-T49 PolarHBondContact O-N 3.01Å; F45-T49 PolarHBondContact O-OG1 3.05Å; F45-F127 AromaticContact CD1-CD2 3.97Å; F45-F127 HydrophobicContact CD1-CD2 3.97Å; F45-F127 HydrophobicContact CD1-CE2 4.18Å; F45-F127 AromaticContact CE1-CD2 3.85Å; F45-F127 HydrophobicContact CE1-CD2 3.85Å; F45-F127 HydrophobicContact CG-CD2 4.49Å; F45-F127 HydrophobicContact CG-CE2 4.39Å; F45-F127 HydrophobicContact CZ-CD2 4.27Å; F45-E130 HydrophobicContact CE2-CG 4.44Å
46	A	58.6	Low	57.9	Low	6 Å²	6	90.5 Å²	90.5	5%	0.05	47%	0.468	C	S	.	.	H	α-helix	trans	-66.7	-37.9	178.7	0	0	0	0	0	111.5	W42 L43 N44 Y50 I71	W42-A46 HydrophobicContact CE3-CB 4.41Å; W42-A46 WeakPolarHBondContact O-CB 3.34Å; W42-A46 PolarHBondContact O-N 2.92Å; L43-A46 PolarHBondContact O-N 3.1Å; N44-A46 VanDerWaalsContact C-N 3.32Å; N44-A46 PolarHBondContact O-N 2.98Å; A46-Y50 WeakPolarHBondContact O-CB 3.41Å; A46-Y50 PolarHBondContact O-N 3.35Å; A46-I71 HydrophobicContact CB-CD1 4.21Å; A46-I71 HydrophobicContact CB-CG1 4.47Å; A46-I71 HydrophobicContact CB-CG2 3.64Å
47	Y	58.1	Low	57.9	Low	148 Å²	148	88.5 Å²	88.5	58%	0.58	45%	0.452	S	S	*	.	H	α-helix	trans	-68.9	-46.1	175.5	-157.7	-83.8	0	0	0	112	L43 N44 F45 Y50 S51 L75	L43-Y47 WeakPolarHBondContact O-CB 3.19Å; L43-Y47 PolarHBondContact O-N 3.49Å; N44-Y47 PolarHBondContact O-N 2.89Å; N44-Y47 VanDerWaalsContact O-N 3.16Å; F45-Y47 VanDerWaalsContact C-N 3.34Å; Y47-Y50 CarbonylContact O-C 3.59Å; Y47-Y50 WeakPolarHBondContact O-CB 3.37Å; Y47-Y50 PolarHBondContact O-N 3.48Å; Y47-S51 WeakPolarHBondContact O-CB 3.47Å; Y47-S51 PolarHBondContact O-N 2.91Å; Y47-S51 PolarHBondContact O-OG 2.85Å; Y47-L75 HydrophobicContact CD2-CD1 4.06Å
48	E	57.5	Low	57.9	Low	115 Å²	115	90.2 Å²	90.2	54%	0.537	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-42.5	175.3	-76.1	-177.5	174.9	0	0	111.7	N44 Y50 S51 N52	N44-E48 WeakPolarHBondContact O-CB 3.37Å; N44-E48 WeakPolarHBondContact O-CG 3.3Å; N44-E48 PolarHBondContact O-N 3.28Å; E48-Y50 VanDerWaalsContact C-N 3.26Å; E48-Y50 PolarHBondContact O-N 2.82Å; E48-S51 WeakPolarHBondContact CA-OG 3.3Å; E48-S51 PolarHBondContact O-N 3.31Å; E48-S51 PolarHBondContact O-OG 3.19Å; E48-S51 VanDerWaalsContact O-OG 3.12Å; E48-N52 VanDerWaalsContact O-CB 3.25Å; E48-N52 WeakPolarHBondContact O-CB 3.31Å; E48-N52 PolarHBondContact O-N 3.39Å; E48-N52 PolarHBondContact O-ND2 3.11Å
49	T	58.2	Low	57.5	Low	51 Å²	51	89.8 Å²	89.8	31%	0.313	46%	0.461	S	S	.	.	H	α-helix	trans	-62.2	-38.7	175.7	-56.5	0	0	0	0	110.3	F45 V53	F45-T49 VanDerWaalsContact O-CB 3.23Å; F45-T49 WeakPolarHBondContact O-CB 3.09Å; F45-T49 PolarHBondContact O-N 3.01Å; F45-T49 PolarHBondContact O-OG1 3.05Å; T49-V53 WeakPolarHBondContact O-CG2 3.48Å; T49-V53 PolarHBondContact O-N 2.94Å
50	Y	56	Low	57.1	Low	97 Å²	97	87.2 Å²	87.2	38%	0.38	45%	0.447	S	S	.	.	H	α-helix	trans	-67.9	-46	174.7	-174.6	-82.2	0	0	0	112.4	A46 Y47 E48 N52 V53 L68	A46-Y50 WeakPolarHBondContact O-CB 3.41Å; A46-Y50 PolarHBondContact O-N 3.35Å; Y47-Y50 CarbonylContact O-C 3.59Å; Y47-Y50 WeakPolarHBondContact O-CB 3.37Å; Y47-Y50 PolarHBondContact O-N 3.48Å; E48-Y50 VanDerWaalsContact C-N 3.26Å; E48-Y50 PolarHBondContact O-N 2.82Å; Y50-N52 VanDerWaalsContact C-N 3.32Å; Y50-N52 PolarHBondContact O-N 2.92Å; Y50-V53 PolarHBondContact O-N 3.48Å; Y50-L68 HydrophobicContact CD2-CB 3.66Å; Y50-L68 HydrophobicContact CD2-CD1 4.31Å; Y50-L68 HydrophobicContact CD2-CD2 3.77Å; Y50-L68 HydrophobicContact CD2-CG 4.1Å; Y50-L68 HydrophobicContact CE2-CB 3.92Å; Y50-L68 HydrophobicContact CG-CD2 4.24Å
51	S	60.8	Low	56.7	Low	71 Å²	71	90 Å²	90	50%	0.497	46%	0.464	S	S	.	.	H	α-helix	trans	-70.3	-28.5	-176.1	66	0	0	0	0	113.3	Y47 E48	Y47-S51 WeakPolarHBondContact O-CB 3.47Å; Y47-S51 PolarHBondContact O-N 2.91Å; Y47-S51 PolarHBondContact O-OG 2.85Å; E48-S51 WeakPolarHBondContact CA-OG 3.3Å; E48-S51 PolarHBondContact O-N 3.31Å; E48-S51 PolarHBondContact O-OG 3.19Å; E48-S51 VanDerWaalsContact O-OG 3.12Å
52	N	58.3	Low	55.8	Low	128 Å²	128	90.4 Å²	90.4	68%	0.684	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-12.2	179.6	-68.3	-29.1	0	0	0	113.3	E48 Y50 E54	E48-N52 VanDerWaalsContact O-CB 3.25Å; E48-N52 WeakPolarHBondContact O-CB 3.31Å; E48-N52 PolarHBondContact O-N 3.39Å; E48-N52 PolarHBondContact O-ND2 3.11Å; Y50-N52 VanDerWaalsContact C-N 3.32Å; Y50-N52 PolarHBondContact O-N 2.92Å; N52-E54 PolarHBondContact O-N 3.15Å
53	V	56.5	Low	55.4	Low	42 Å²	42	93.1 Å²	93.1	26%	0.255	49%	0.488	S	S	.	.	S	Bend	trans	-81.1	113	173.4	165.1	0	0	0	0	107.8	T49 Y50 E55 E60 L68	T49-V53 WeakPolarHBondContact O-CG2 3.48Å; T49-V53 PolarHBondContact O-N 2.94Å; Y50-V53 PolarHBondContact O-N 3.48Å; V53-E55 PolarHBondContact O-N 3.4Å; V53-E55 VanDerWaalsContact O-N 3.15Å; V53-E60 WeakPolarHBondContact CG1-OE1 3.46Å; V53-E60 WeakPolarHBondContact CG1-OE2 3.41Å; V53-L68 HydrophobicContact CB-CD1 3.94Å; V53-L68 HydrophobicContact CG1-CD1 3.75Å; V53-L68 HydrophobicContact CG2-CD1 4.04Å
54	E	57.8	Low	55.1	Low	152 Å²	152	92.7 Å²	92.7	71%	0.71	49%	0.491	S	S	*	.			trans	-61.1	117.5	164.7	-75.5	-173.3	168.4	0	0	108.1	N52 N56 D57	N52-E54 PolarHBondContact O-N 3.15Å; E54-N56 PolarHBondContact O-N 3.48Å; E54-D57 PolarHBondContact O-N 3.37Å
55	E	56.7	Low	54.5	Low	151 Å²	151	93.8 Å²	93.8	71%	0.706	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-20.7	-177.1	-156.6	171.2	-160.1	0	0	113.2	V53 K65	V53-E55 PolarHBondContact O-N 3.4Å; V53-E55 VanDerWaalsContact O-N 3.15Å; E55-K65 PolarHBondContact O-NZ 3.23Å
56	N	52.4	Low	54.3	Low	142 Å²	142	96.4 Å²	96.4	76%	0.759	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	7.9	-178.4	-64.1	-52.5	0	0	0	115.1	E54 P58	E54-N56 PolarHBondContact O-N 3.48Å; N56-P58 WeakPolarHBondContact O-CD 3.43Å; N56-P58 VanDerWaalsContact O-N 3.08Å
57	D	54.8	Low	54.3	Low	61 Å²	61	96.6 Å²	96.6	33%	0.326	51%	0.51	S	S	.	.			trans	-64.1	113.7	178.2	-169.5	-14	0	0	0	109.7	E54 N59 E60	E54-D57 PolarHBondContact O-N 3.37Å; D57-N59 PolarHBondContact O-N 2.9Å; D57-N59 WeakPolarHBondContact OD1-CB 3.37Å; D57-N59 PolarHBondContact OD1-N 3.41Å; D57-N59 PolarHBondContact OD1-ND2 3.02Å; D57-E60 HydrophobicContact CB-CB 4.37Å; D57-E60 WeakPolarHBondContact O-CB 3.46Å; D57-E60 PolarHBondContact O-N 3.33Å; D57-E60 VanDerWaalsContact O-N 3.11Å
58	P	54.7	Low	54.3	Low	120 Å²	120	90.3 Å²	90.3	78%	0.779	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.6	-178.9	28.2	-34.7	0	0	0	112.5	N56 E60	N56-P58 WeakPolarHBondContact O-CD 3.43Å; N56-P58 VanDerWaalsContact O-N 3.08Å; P58-E60 PolarHBondContact O-N 3.44Å
59	N	53.4	Low	54.2	Low	136 Å²	136	92.3 Å²	92.3	73%	0.727	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.6	176.1	-60	-54.4	0	0	0	112.5	D57 T61	D57-N59 PolarHBondContact O-N 2.9Å; D57-N59 WeakPolarHBondContact OD1-CB 3.37Å; D57-N59 PolarHBondContact OD1-N 3.41Å; D57-N59 PolarHBondContact OD1-ND2 3.02Å; N59-T61 PolarHBondContact O-N 3.25Å; N59-T61 VanDerWaalsContact O-N 3.1Å
60	E	51.5	Low	54.2	Low	39 Å²	39	93.7 Å²	93.7	18%	0.182	50%	0.495	C	S	.	.			trans	-74.8	110.4	-176.8	-163.2	171.5	-153.6	0	0	110.7	V53 D57 P58 K65 L68	V53-E60 WeakPolarHBondContact CG1-OE1 3.46Å; V53-E60 WeakPolarHBondContact CG1-OE2 3.41Å; D57-E60 HydrophobicContact CB-CB 4.37Å; D57-E60 WeakPolarHBondContact O-CB 3.46Å; D57-E60 PolarHBondContact O-N 3.33Å; D57-E60 VanDerWaalsContact O-N 3.11Å; P58-E60 PolarHBondContact O-N 3.44Å; E60-K65 HydrophobicContact CG-CG 4.16Å; E60-K65 WeakPolarHBondContact OE2-CE 3.26Å; E60-L68 WeakPolarHBondContact OE1-CD1 3.2Å
61	T	51.5	Low	54.6	Low	92 Å²	92	90.3 Å²	90.3	56%	0.564	48%	0.483	S	S	*	.			trans	-56.9	143.7	178.8	64.9	0	0	0	0	110.5	N59 C63 G64 K65	N59-T61 PolarHBondContact O-N 3.25Å; N59-T61 VanDerWaalsContact O-N 3.1Å; T61-C63 PolarHBondContact O-N 2.82Å; T61-G64 WeakPolarHBondContact O-CA 3.31Å; T61-G64 PolarHBondContact O-N 3.07Å; T61-G64 PolarHBondContact OG1-N 3.48Å; T61-K65 PolarHBondContact O-N 3.44Å
62	I	42.1	Very low	54.5	Low	145 Å²	145	89.1 Å²	89.1	74%	0.744	48%	0.475	S	S	*	.	H	α-helix	trans	-49	-34.8	175.3	-64.4	170	0	0	0	111.1	K65 L66	I62-K65 PolarHBondContact O-N 2.98Å; I62-L66 WeakPolarHBondContact O-CB 3.43Å; I62-L66 PolarHBondContact O-N 3.25Å
63	C	45.3	Very low	54.7	Low	99 Å²	99	89 Å²	89	67%	0.669	47%	0.469	S	S	*	.	H	α-helix	trans	-60.6	-40.3	174.2	-65.5	0	0	0	0	113.5	T61 L66 A67	T61-C63 PolarHBondContact O-N 2.82Å; C63-L66 PolarHBondContact O-N 2.87Å; C63-A67 VanDerWaalsContact O-CB 3.3Å; C63-A67 WeakPolarHBondContact O-CB 3.33Å; C63-A67 PolarHBondContact O-N 2.91Å
64	G	53.5	Low	55.1	Low	20 Å²	20	89.9 Å²	89.9	21%	0.206	47%	0.472	C	S	.	.	H	α-helix	trans	-63	-51	175.4	0	0	0	0	0	111.6	T61 L66 A67 L68	T61-G64 WeakPolarHBondContact O-CA 3.31Å; T61-G64 PolarHBondContact O-N 3.07Å; T61-G64 PolarHBondContact OG1-N 3.48Å; G64-L66 VanDerWaalsContact C-N 3.29Å; G64-L66 PolarHBondContact O-N 2.92Å; G64-A67 WeakPolarHBondContact O-CB 3.49Å; G64-A67 PolarHBondContact O-N 3.29Å; G64-A67 VanDerWaalsContact O-N 3.1Å; G64-L68 WeakPolarHBondContact O-CG 3.46Å; G64-L68 PolarHBondContact O-N 3.08Å
65	K	50.3	Low	55.3	Low	92 Å²	92	84 Å²	84	40%	0.4	45%	0.445	S	S	.	.	H	α-helix	trans	-59.5	-39.5	176.6	-63.4	-168.5	-177.6	-160.4	0	112.4	E55 E60 T61 I62 K69	E55-K65 PolarHBondContact O-NZ 3.23Å; E60-K65 HydrophobicContact CG-CG 4.16Å; E60-K65 WeakPolarHBondContact OE2-CE 3.26Å; T61-K65 PolarHBondContact O-N 3.44Å; I62-K65 PolarHBondContact O-N 2.98Å; K65-K69 WeakPolarHBondContact O-CB 3.43Å; K65-K69 PolarHBondContact O-N 3.1Å
66	L	52.4	Low	55.4	Low	118 Å²	118	79.3 Å²	79.3	62%	0.618	43%	0.429	S	S	*	.	H	α-helix	trans	-66.7	-42.1	176.3	-148.2	93.3	0	0	0	111.7	I62 C63 G64 K69 K70	I62-L66 WeakPolarHBondContact O-CB 3.43Å; I62-L66 PolarHBondContact O-N 3.25Å; C63-L66 PolarHBondContact O-N 2.87Å; G64-L66 VanDerWaalsContact C-N 3.29Å; G64-L66 PolarHBondContact O-N 2.92Å; L66-K69 PolarHBondContact O-N 2.68Å; L66-K70 VanDerWaalsContact O-CB 3.3Å; L66-K70 WeakPolarHBondContact O-CB 3.26Å; L66-K70 PolarHBondContact O-N 2.86Å
67	A	57.6	Low	55.7	Low	9 Å²	9	79.5 Å²	79.5	7%	0.074	42%	0.419	C	S	.	.	H	α-helix	trans	-60.6	-47.5	176.2	0	0	0	0	0	111.3	C63 G64 K70 I71 M120 L123	C63-A67 VanDerWaalsContact O-CB 3.3Å; C63-A67 WeakPolarHBondContact O-CB 3.33Å; C63-A67 PolarHBondContact O-N 2.91Å; G64-A67 WeakPolarHBondContact O-CB 3.49Å; G64-A67 PolarHBondContact O-N 3.29Å; G64-A67 VanDerWaalsContact O-N 3.1Å; A67-K70 PolarHBondContact O-N 3.05Å; A67-I71 WeakPolarHBondContact O-CB 3.23Å; A67-I71 VanDerWaalsContact O-CG1 3.31Å; A67-I71 WeakPolarHBondContact O-CG1 3.4Å; A67-I71 PolarHBondContact O-N 2.95Å; A67-M120 HydrophobicContact CB-CE 3.37Å; A67-L123 HydrophobicContact CB-CD1 3.96Å
68	L	58.1	Low	55.7	Low	17 Å²	17	79.5 Å²	79.5	9%	0.089	42%	0.418	C	S	.	.	H	α-helix	trans	-62	-46.2	177.7	-72.4	-178.4	0	0	0	112.3	Y50 V53 E60 G64 K70 I71 S72	Y50-L68 HydrophobicContact CD2-CB 3.66Å; Y50-L68 HydrophobicContact CD2-CD1 4.31Å; Y50-L68 HydrophobicContact CD2-CD2 3.77Å; Y50-L68 HydrophobicContact CD2-CG 4.1Å; Y50-L68 HydrophobicContact CE2-CB 3.92Å; Y50-L68 HydrophobicContact CG-CD2 4.24Å; V53-L68 HydrophobicContact CB-CD1 3.94Å; V53-L68 HydrophobicContact CG1-CD1 3.75Å; V53-L68 HydrophobicContact CG2-CD1 4.04Å; E60-L68 WeakPolarHBondContact OE1-CD1 3.2Å; G64-L68 WeakPolarHBondContact O-CG 3.46Å; G64-L68 PolarHBondContact O-N 3.08Å; L68-K70 PolarHBondContact O-N 3.38Å; L68-I71 PolarHBondContact O-N 3.12Å; L68-S72 PolarHBondContact O-N 3.32Å
69	K	56.1	Low	55.7	Low	157 Å²	157	79.8 Å²	79.8	68%	0.683	41%	0.409	S	S	*	.	H	α-helix	trans	-62.2	-33	175.8	-165.5	172.3	-174.7	173.6	0	112.1	K65 L66 S72 F73	K65-K69 WeakPolarHBondContact O-CB 3.43Å; K65-K69 PolarHBondContact O-N 3.1Å; L66-K69 PolarHBondContact O-N 2.68Å; K69-S72 PolarHBondContact O-OG 3.12Å; K69-S72 VanDerWaalsContact O-OG 3.11Å; K69-F73 WeakPolarHBondContact O-CB 3.36Å; K69-F73 PolarHBondContact O-N 3.18Å
70	K	58.1	Low	55.9	Low	79 Å²	79	79.5 Å²	79.5	34%	0.343	40%	0.403	S	S	.	.	H	α-helix	trans	-77	-38.3	177.8	-164	162.8	-174.8	159.6	0	112.1	L66 A67 L68 F73 L74 E118	L66-K70 VanDerWaalsContact O-CB 3.3Å; L66-K70 WeakPolarHBondContact O-CB 3.26Å; L66-K70 PolarHBondContact O-N 2.86Å; A67-K70 PolarHBondContact O-N 3.05Å; L68-K70 PolarHBondContact O-N 3.38Å; K70-F73 PolarHBondContact O-N 3.01Å; K70-L74 WeakPolarHBondContact O-CB 3.46Å; K70-L74 PolarHBondContact O-N 3.02Å; K70-E118 IonicContact NZ-OE1 3.67Å; K70-E118 PolarHBondContact NZ-OE1 2.84Å; K70-E118 IonicContact NZ-OE2 2.75Å; K70-E118 PolarHBondContact NZ-OE2 3.11Å
71	I	63.7	Low	56	Low	26 Å²	26	85 Å²	85	13%	0.133	43%	0.426	C	S	.	.	H	α-helix	trans	-58.4	-50.2	169.5	-74.5	165.9	0	0	0	109.4	A46 A67 L68 F73 L74 L75	A46-I71 HydrophobicContact CB-CD1 4.21Å; A46-I71 HydrophobicContact CB-CG1 4.47Å; A46-I71 HydrophobicContact CB-CG2 3.64Å; A67-I71 WeakPolarHBondContact O-CB 3.23Å; A67-I71 VanDerWaalsContact O-CG1 3.31Å; A67-I71 WeakPolarHBondContact O-CG1 3.4Å; A67-I71 PolarHBondContact O-N 2.95Å; L68-I71 PolarHBondContact O-N 3.12Å; I71-F73 VanDerWaalsContact C-N 3.31Å; I71-F73 PolarHBondContact O-N 3.35Å; I71-L74 WeakPolarHBondContact O-CB 3.31Å; I71-L74 PolarHBondContact O-N 2.9Å; I71-L74 VanDerWaalsContact O-N 3.08Å; I71-L75 HydrophobicContact CG2-CD1 3.85Å; I71-L75 HydrophobicContact CG2-CG 4.26Å; I71-L75 WeakPolarHBondContact O-CB 3.45Å; I71-L75 VanDerWaalsContact O-CG 3.26Å; I71-L75 WeakPolarHBondContact O-CG 3.25Å; I71-L75 PolarHBondContact O-N 3.04Å
72	S	58.9	Low	56.3	Low	46 Å²	46	86.4 Å²	86.4	32%	0.322	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-38.1	179.7	85.4	0	0	0	0	112.4	L68 K69 L75 S76	L68-S72 PolarHBondContact O-N 3.32Å; K69-S72 PolarHBondContact O-OG 3.12Å; K69-S72 VanDerWaalsContact O-OG 3.11Å; S72-L75 PolarHBondContact O-N 3.41Å; S72-S76 WeakPolarHBondContact O-CB 3.44Å; S72-S76 PolarHBondContact O-N 2.8Å
73	F	64.2	Low	56.3	Low	127 Å²	127	83.8 Å²	83.8	56%	0.557	42%	0.418	S	S	*	.	H	α-helix	trans	-63.3	-42.4	172.6	-178.1	-97.4	0	0	0	112.4	K69 K70 I71 S76 R77	K69-F73 WeakPolarHBondContact O-CB 3.36Å; K69-F73 PolarHBondContact O-N 3.18Å; K70-F73 PolarHBondContact O-N 3.01Å; I71-F73 VanDerWaalsContact C-N 3.31Å; I71-F73 PolarHBondContact O-N 3.35Å; F73-S76 PolarHBondContact O-N 3.42Å; F73-R77 HydrophobicContact CE1-CG 4.28Å; F73-R77 HydrophobicContact CZ-CG 4.29Å; F73-R77 WeakPolarHBondContact O-CB 3.5Å; F73-R77 PolarHBondContact O-N 2.95Å
74	L	63.6	Low	55.9	Low	59 Å²	59	88.6 Å²	88.6	31%	0.309	42%	0.422	S	S	.	.	H	α-helix	trans	-64.5	-45.5	178.3	-146.9	89.7	0	0	0	111	W42 K70 I71 R77 M78	W42-L74 HydrophobicContact CH2-CD2 3.96Å; W42-L74 HydrophobicContact CZ3-CD2 4.4Å; K70-L74 WeakPolarHBondContact O-CB 3.46Å; K70-L74 PolarHBondContact O-N 3.02Å; I71-L74 WeakPolarHBondContact O-CB 3.31Å; I71-L74 PolarHBondContact O-N 2.9Å; I71-L74 VanDerWaalsContact O-N 3.08Å; L74-R77 PolarHBondContact O-N 3.16Å; L74-M78 WeakPolarHBondContact O-CG 3.41Å; L74-M78 PolarHBondContact O-N 3Å
75	L	61.6	Low	55.2	Low	30 Å²	30	92.1 Å²	92.1	16%	0.157	44%	0.441	C	S	.	.	H	α-helix	trans	-56	-52.3	174.7	-72.3	174.8	0	0	0	111.1	L43 Y47 I71 S72 R77 M78 E79	L43-L75 HydrophobicContact CD1-CD2 3.76Å; L43-L75 HydrophobicContact CD2-CD2 3.23Å; L43-L75 HydrophobicContact CG-CD2 3.29Å; Y47-L75 HydrophobicContact CD2-CD1 4.06Å; I71-L75 HydrophobicContact CG2-CD1 3.85Å; I71-L75 HydrophobicContact CG2-CG 4.26Å; I71-L75 WeakPolarHBondContact O-CB 3.45Å; I71-L75 VanDerWaalsContact O-CG 3.26Å; I71-L75 WeakPolarHBondContact O-CG 3.25Å; I71-L75 PolarHBondContact O-N 3.04Å; S72-L75 PolarHBondContact O-N 3.41Å; L75-R77 VanDerWaalsContact C-N 3.33Å; L75-R77 PolarHBondContact O-N 3.43Å; L75-M78 PolarHBondContact O-N 3.46Å; L75-M78 VanDerWaalsContact O-N 3.12Å; L75-E79 PolarHBondContact O-N 2.68Å
76	S	59.9	Low	55	Low	52 Å²	52	94 Å²	94	36%	0.364	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-39.4	179	-174	0	0	0	0	112.1	S72 F73 E79 Q80	S72-S76 WeakPolarHBondContact O-CB 3.44Å; S72-S76 PolarHBondContact O-N 2.8Å; F73-S76 PolarHBondContact O-N 3.42Å; S76-E79 PolarHBondContact O-N 2.75Å; S76-Q80 VanDerWaalsContact O-CG 3.31Å; S76-Q80 WeakPolarHBondContact O-CG 3.35Å; S76-Q80 PolarHBondContact O-N 2.88Å
77	R	58	Low	54.5	Low	146 Å²	146	95 Å²	95	55%	0.551	47%	0.466	S	S	*	.	H	α-helix	trans	-65.7	-37.9	174.5	-106.9	-143	178.9	-175.2	1.2	113	F73 L74 L75 K81	F73-R77 HydrophobicContact CE1-CG 4.28Å; F73-R77 HydrophobicContact CZ-CG 4.29Å; F73-R77 WeakPolarHBondContact O-CB 3.5Å; F73-R77 PolarHBondContact O-N 2.95Å; L74-R77 PolarHBondContact O-N 3.16Å; L75-R77 VanDerWaalsContact C-N 3.33Å; L75-R77 PolarHBondContact O-N 3.43Å; R77-K81 WeakPolarHBondContact O-CG 3.3Å; R77-K81 PolarHBondContact O-N 3.29Å
78	M	56	Low	53.8	Low	61 Å²	61	101.2 Å²	101.2	30%	0.3	50%	0.499	S	S	.	.	H	α-helix	trans	-67.8	-41.3	176.6	-76.1	-178.9	64.5	0	0	111.2	W42 L43 L74 L75 K81 K82	W42-M78 HydrophobicContact CH2-SD 3.89Å; W42-M78 HydrophobicContact CZ2-CE 4.3Å; W42-M78 HydrophobicContact CZ2-SD 3.99Å; L43-M78 HydrophobicContact CD1-CE 3.73Å; L43-M78 HydrophobicContact CD1-SD 3.98Å; L74-M78 WeakPolarHBondContact O-CG 3.41Å; L74-M78 PolarHBondContact O-N 3Å; L75-M78 PolarHBondContact O-N 3.46Å; L75-M78 VanDerWaalsContact O-N 3.12Å; M78-K81 PolarHBondContact O-N 3.27Å; M78-K82 PolarHBondContact O-N 3.01Å
79	E	53.9	Low	52.9	Low	126 Å²	126	105.3 Å²	105.3	59%	0.589	53%	0.529	S	S	*	.	H	α-helix	trans	-60.1	-47.9	173.9	-170.4	173.7	-153.8	0	0	110.9	L75 S76 K81 K82 C83	L75-E79 PolarHBondContact O-N 2.68Å; S76-E79 PolarHBondContact O-N 2.75Å; E79-K81 VanDerWaalsContact C-N 3.27Å; E79-K81 PolarHBondContact O-N 3.25Å; E79-K82 PolarHBondContact O-N 3.21Å; E79-K82 VanDerWaalsContact O-N 3.17Å; E79-C83 VanDerWaalsContact O-CB 3.31Å; E79-C83 WeakPolarHBondContact O-CB 3.46Å; E79-C83 PolarHBondContact O-N 3.44Å; E79-C83 PolarHBondContact O-SG 3.36Å
80	Q	56.5	Low	52	Low	129 Å²	129	105.8 Å²	105.8	60%	0.603	53%	0.533	S	S	*	.	H	α-helix	trans	-59.1	-35.4	174.4	-72.7	175.5	12.4	0	0	113.4	S76 R84	S76-Q80 VanDerWaalsContact O-CG 3.31Å; S76-Q80 WeakPolarHBondContact O-CG 3.35Å; S76-Q80 PolarHBondContact O-N 2.88Å; Q80-R84 PolarHBondContact O-N 3.32Å; Q80-R84 VanDerWaalsContact O-N 3.16Å
81	K	55.5	Low	51.1	Low	154 Å²	154	107 Å²	107	67%	0.67	55%	0.547	S	S	*	.	H	α-helix	trans	-71.9	-40.7	176	-79.7	-174	175.8	-172.8	0	112.4	R77 M78 E79 C83 R84	R77-K81 WeakPolarHBondContact O-CG 3.3Å; R77-K81 PolarHBondContact O-N 3.29Å; M78-K81 PolarHBondContact O-N 3.27Å; E79-K81 VanDerWaalsContact C-N 3.27Å; E79-K81 PolarHBondContact O-N 3.25Å; K81-C83 VanDerWaalsContact C-N 3.33Å; K81-R84 PolarHBondContact O-N 2.89Å
82	K	56.4	Low	49.7	Very low	122 Å²	122	113 Å²	113	53%	0.53	58%	0.58	S	S	.	*	H	α-helix	trans	-65.5	-38.1	173.8	-75.1	-174.5	175.7	-176	0	111.3	M78 E79 R84	M78-K82 PolarHBondContact O-N 3.01Å; E79-K82 PolarHBondContact O-N 3.21Å; E79-K82 VanDerWaalsContact O-N 3.17Å; K82-R84 VanDerWaalsContact C-N 3.31Å; K82-R84 PolarHBondContact O-N 3.05Å
83	C	42.1	Very low	48.8	Very low	91 Å²	91	116.2 Å²	116.2	62%	0.615	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	-2.9	179.8	-66.8	0	0	0	0	114.3	E79 K81 P85	E79-C83 VanDerWaalsContact O-CB 3.31Å; E79-C83 WeakPolarHBondContact O-CB 3.46Å; E79-C83 PolarHBondContact O-N 3.44Å; E79-C83 PolarHBondContact O-SG 3.36Å; K81-C83 VanDerWaalsContact C-N 3.33Å; C83-P85 WeakPolarHBondContact O-CD 3.44Å
84	R	37.1	Very low	47.3	Very low	200 Å²	200	115.9 Å²	115.9	76%	0.755	61%	0.61	S	S	*	*	S	Bend	trans	-82.9	103	171.7	-168.6	171.8	-174.7	167.5	-0.1	107.4	Q80 K81 K82 T86	Q80-R84 PolarHBondContact O-N 3.32Å; Q80-R84 VanDerWaalsContact O-N 3.16Å; K81-R84 PolarHBondContact O-N 2.89Å; K82-R84 VanDerWaalsContact C-N 3.31Å; K82-R84 PolarHBondContact O-N 3.05Å; R84-T86 PolarHBondContact O-N 3.08Å
85	P	39.8	Very low	46.1	Very low	93 Å²	93	118.8 Å²	118.8	60%	0.604	64%	0.635	S	S	*	*			trans	-58.5	116.2	170.3	25.2	-32.9	0	0	0	106.7	C83 N87	C83-P85 WeakPolarHBondContact O-CD 3.44Å; P85-N87 PolarHBondContact O-N 3.25Å
86	T	46.3	Very low	44.9	Very low	132 Å²	132	120.7 Å²	120.7	81%	0.81	66%	0.656	S	S	*	*			trans	-63.1	80.7	167.3	2.9	0	0	0	0	106.9	R84 D88	R84-T86 PolarHBondContact O-N 3.08Å; T86-D88 PolarHBondContact O-N 2.93Å
87	N	40.9	Very low	43.9	Very low	138 Å²	138	123.5 Å²	123.5	74%	0.738	67%	0.672	S	S	*	*			trans	-72.6	79.2	161.7	-76.7	-37.6	0	0	0	106.7	P85	P85-N87 PolarHBondContact O-N 3.25Å
88	D	42.7	Very low	43	Very low	141 Å²	141	122.4 Å²	122.4	75%	0.754	68%	0.682	S	S	*	*			trans	-168.4	94.8	155.5	-79.6	-35.2	0	0	0	103.9	T86	T86-D88 PolarHBondContact O-N 2.93Å
89	S	38.7	Very low	41.8	Very low	102 Å²	102	130 Å²	130	71%	0.713	71%	0.707	S	S	*	*				46.9	114.2	91.4	166.8	0	0	0	0	110.2
90	Q	38.2	Very low	41	Very low	167 Å²	167	129.7 Å²	129.7	78%	0.78	71%	0.714	S	S	*	*			cis	175.5	140.9	25.4	166.7	175.8	5.1	0	0	104.8
91	V	38.8	Very low	40.1	Very low	105 Å²	105	127.6 Å²	127.6	64%	0.636	71%	0.713	S	S	*	*			trans	20	118.8	167.7	-93	0	0	0	0	119.4
92	D	34.8	Very low	39.4	Very low	153 Å²	153	126.2 Å²	126.2	82%	0.818	71%	0.713	S	S	*	*				-148.2	101.6	111.5	-96.3	-30.6	0	0	0	107.9	V94	D92-V94 PolarHBondContact O-N 3.48Å
93	S	39.3	Very low	38.6	Very low	113 Å²	113	123.4 Å²	123.4	79%	0.79	71%	0.713	S	S	*	*			trans	-68.8	69.4	172.6	-59.9	0	0	0	0	109.3	S95	S93-S95 PolarHBondContact O-N 2.84Å
94	V	33.2	Very low	38.9	Very low	119 Å²	119	124 Å²	124	72%	0.721	72%	0.718	S	S	*	*			trans	-78.9	102.1	160	-178.5	0	0	0	0	105.2	D92 A96	D92-V94 PolarHBondContact O-N 3.48Å; V94-A96 PolarHBondContact O-N 3.3Å
95	S	37.6	Very low	39.6	Very low	120 Å²	120	117.4 Å²	117.4	84%	0.839	70%	0.703	S	S	*	*			trans	-56.1	77	161.5	-84	0	0	0	0	108.8	S93	S93-S95 PolarHBondContact O-N 2.84Å
96	A	36.8	Very low	40	Very low	71 Å²	71	116.4 Å²	116.4	59%	0.587	70%	0.697	S	S	*	*			trans	-73.4	118.8	162.3	0	0	0	0	0	105.3	V94 V98	V94-A96 PolarHBondContact O-N 3.3Å; A96-V98 PolarHBondContact O-N 3Å; A96-V98 VanDerWaalsContact O-N 3.16Å
97	P	38.7	Very low	40.3	Very low	110 Å²	110	113.6 Å²	113.6	71%	0.714	68%	0.677	S	S	*	*			trans	-57.6	128.7	178.5	23.9	-30.7	0	0	0	107.4	R99	P97-R99 PolarHBondContact O-N 2.96Å
98	V	40	Very low	41	Very low	124 Å²	124	109.3 Å²	109.3	75%	0.752	66%	0.658	S	S	*	*			trans	-54.3	85.3	174.8	175.9	0	0	0	0	107.7	A96 T100	A96-V98 PolarHBondContact O-N 3Å; A96-V98 VanDerWaalsContact O-N 3.16Å; V98-T100 HydrophobicContact CG1-CG2 3.43Å; V98-T100 VanDerWaalsContact CG1-CG2 3.43Å; V98-T100 PolarHBondContact O-N 3.37Å
99	R	30.3	Very low	41.9	Very low	219 Å²	219	107.6 Å²	107.6	83%	0.826	65%	0.649	S	S	*	*			trans	-75.7	82.2	166.5	-90.2	-175.4	165.1	-174.5	-3.7	105.6	P97 S101	P97-R99 PolarHBondContact O-N 2.96Å; R99-S101 PolarHBondContact O-N 3.47Å
100	T	37.9	Very low	43	Very low	121 Å²	121	107.2 Å²	107.2	74%	0.742	64%	0.638	S	S	*	*			trans	-73.3	4.5	167.7	37.4	0	0	0	0	112.7	V98	V98-T100 HydrophobicContact CG1-CG2 3.43Å; V98-T100 VanDerWaalsContact CG1-CG2 3.43Å; V98-T100 PolarHBondContact O-N 3.37Å
101	S	36.1	Very low	44.1	Very low	84 Å²	84	100.7 Å²	100.7	59%	0.587	61%	0.608	S	S	*	*	S	Bend	trans	-92.2	115.7	172.7	49.3	0	0	0	0	111.1	R99	R99-S101 PolarHBondContact O-N 3.47Å
102	N	40.7	Very low	45.1	Very low	125 Å²	125	98.3 Å²	98.3	67%	0.668	59%	0.59	S	S	*	*	S	Bend	trans	103.6	2.8	167.2	-55.5	2	0	0	0	118.1	S104 S105	N102-S104 PolarHBondContact O-N 2.82Å; N102-S105 PolarHBondContact O-N 2.83Å; N102-S105 PolarHBondContact O-OG 3.48Å
103	A	41.4	Very low	46.5	Very low	63 Å²	63	92.9 Å²	92.9	52%	0.521	57%	0.571	S	S	.	*	H	α-helix	trans	-56.6	-31.6	174.8	0	0	0	0	0	113.4	S105 C106 D107	A103-S105 VanDerWaalsContact C-N 3.28Å; A103-S105 PolarHBondContact O-N 2.85Å; A103-C106 PolarHBondContact O-N 2.88Å; A103-D107 PolarHBondContact O-N 3.19Å
104	S	48.2	Very low	47.6	Very low	103 Å²	103	90.9 Å²	90.9	72%	0.72	55%	0.55	S	S	*	*	H	α-helix	trans	-63.2	-29.5	-177.5	67.3	0	0	0	0	114.4	N102 S108	N102-S104 PolarHBondContact O-N 2.82Å; S104-S108 PolarHBondContact O-N 3.43Å
105	S	50.7	Low	49	Very low	63 Å²	63	86.3 Å²	86.3	44%	0.441	52%	0.522	S	S	.	.	H	α-helix	trans	-73.1	-44.8	179.8	62.9	0	0	0	0	111.9	N102 A103 D107 S108 D109	N102-S105 PolarHBondContact O-N 2.83Å; N102-S105 PolarHBondContact O-OG 3.48Å; A103-S105 VanDerWaalsContact C-N 3.28Å; A103-S105 PolarHBondContact O-N 2.85Å; S105-D107 PolarHBondContact O-N 3.3Å; S105-S108 PolarHBondContact O-N 3.25Å; S105-D109 PolarHBondContact O-N 2.94Å
106	C	48.6	Very low	50.4	Low	71 Å²	71	86.8 Å²	86.8	48%	0.48	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-41.9	-175.5	-157	0	0	0	0	111.5	A103 S108 D109 I110	A103-C106 PolarHBondContact O-N 2.88Å; C106-S108 VanDerWaalsContact C-N 3.35Å; C106-S108 PolarHBondContact O-N 2.8Å; C106-D109 PolarHBondContact O-N 2.82Å; C106-I110 WeakPolarHBondContact O-CD1 3.3Å; C106-I110 VanDerWaalsContact O-CG1 3.24Å; C106-I110 WeakPolarHBondContact O-CG1 3.37Å; C106-I110 PolarHBondContact O-N 3.45Å
107	D	52.9	Low	51.9	Low	74 Å²	74	92.1 Å²	92.1	40%	0.396	52%	0.515	S	S	.	.	H	α-helix	trans	-66.8	-37.3	179.1	-71.3	-18.4	0	0	0	112.2	A103 S105 L111	A103-D107 PolarHBondContact O-N 3.19Å; S105-D107 PolarHBondContact O-N 3.3Å; D107-L111 WeakPolarHBondContact O-CB 3.46Å; D107-L111 PolarHBondContact O-N 3.17Å
108	S	56	Low	52.9	Low	48 Å²	48	91.5 Å²	91.5	34%	0.336	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-45.2	176.1	-174.1	0	0	0	0	111.6	S104 S105 C106 I110 L111 E112	S104-S108 PolarHBondContact O-N 3.43Å; S105-S108 PolarHBondContact O-N 3.25Å; C106-S108 VanDerWaalsContact C-N 3.35Å; C106-S108 PolarHBondContact O-N 2.8Å; S108-I110 PolarHBondContact O-N 3.16Å; S108-L111 PolarHBondContact O-N 3.29Å; S108-E112 WeakPolarHBondContact O-CB 3.49Å; S108-E112 PolarHBondContact O-N 2.97Å
109	D	60.6	Low	53.8	Low	104 Å²	104	88.1 Å²	88.1	56%	0.556	49%	0.493	S	S	*	.	H	α-helix	trans	-65.3	-39.6	-179.8	-66.5	-19.8	0	0	0	111.6	S105 C106 E112 G113	S105-D109 PolarHBondContact O-N 2.94Å; C106-D109 PolarHBondContact O-N 2.82Å; D109-E112 PolarHBondContact O-N 2.76Å; D109-G113 PolarHBondContact O-N 3.08Å
110	I	62.9	Low	55.6	Low	95 Å²	95	79.2 Å²	79.2	49%	0.487	46%	0.461	S	S	.	.	H	α-helix	trans	-63.8	-46.8	175.4	-68.6	165.9	0	0	0	110.3	C106 S108 G113 I114	C106-I110 WeakPolarHBondContact O-CD1 3.3Å; C106-I110 VanDerWaalsContact O-CG1 3.24Å; C106-I110 WeakPolarHBondContact O-CG1 3.37Å; C106-I110 PolarHBondContact O-N 3.45Å; S108-I110 PolarHBondContact O-N 3.16Å; I110-G113 PolarHBondContact O-N 2.81Å; I110-I114 HydrophobicContact CG2-CD1 3.87Å; I110-I114 VanDerWaalsContact O-CG1 3.3Å; I110-I114 WeakPolarHBondContact O-CG1 3.15Å; I110-I114 PolarHBondContact O-N 3.06Å
111	L	60.2	Low	57.2	Low	29 Å²	29	76.6 Å²	76.6	15%	0.152	44%	0.442	C	S	.	.	H	α-helix	trans	-61.9	-45.9	178.3	-179.1	65	0	0	0	110.9	W42 D107 S108 G113 I114 L115	W42-L111 HydrophobicContact CB-CD2 3.69Å; W42-L111 HydrophobicContact CD2-CD1 4.5Å; W42-L111 HydrophobicContact CD2-CD2 3.96Å; W42-L111 HydrophobicContact CE3-CD1 4.24Å; W42-L111 HydrophobicContact CE3-CD2 4.14Å; W42-L111 HydrophobicContact CG-CD2 3.79Å; W42-L111 HydrophobicContact CZ3-CD1 4.46Å; D107-L111 WeakPolarHBondContact O-CB 3.46Å; D107-L111 PolarHBondContact O-N 3.17Å; S108-L111 PolarHBondContact O-N 3.29Å; L111-G113 VanDerWaalsContact C-N 3.32Å; L111-G113 PolarHBondContact O-N 2.97Å; L111-I114 PolarHBondContact O-N 3.41Å; L111-L115 HydrophobicContact CD1-CD1 4.26Å; L111-L115 HydrophobicContact CD1-CG 4.27Å; L111-L115 HydrophobicContact CG-CD1 3.95Å; L111-L115 HydrophobicContact CG-CG 4.37Å; L111-L115 WeakPolarHBondContact O-CB 3.21Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.46Å; L111-L115 PolarHBondContact O-N 3.48Å
112	E	60.9	Low	58.7	Low	55 Å²	55	75.9 Å²	75.9	26%	0.257	44%	0.442	S	S	.	.	H	α-helix	trans	-58.7	-45	176.1	-168.3	-172.2	158.1	0	0	111	S108 D109 I114 L115 R116 I124	S108-E112 WeakPolarHBondContact O-CB 3.49Å; S108-E112 PolarHBondContact O-N 2.97Å; D109-E112 PolarHBondContact O-N 2.76Å; E112-I114 PolarHBondContact O-N 2.92Å; E112-L115 PolarHBondContact O-N 2.75Å; E112-R116 HydrophobicContact CG-CG 4.4Å; E112-R116 WeakPolarHBondContact O-CB 3.45Å; E112-R116 WeakPolarHBondContact O-CG 3.45Å; E112-R116 PolarHBondContact O-N 3.27Å; E112-R116 IonicContact OE1-CZ 2.61Å; E112-R116 IonicContact OE1-NE 3.14Å; E112-R116 PolarHBondContact OE1-NE 3.48Å; E112-R116 IonicContact OE1-NH2 3.01Å; E112-R116 PolarHBondContact OE1-NH2 3.06Å; E112-I124 HydrophobicContact CG-CD1 4.07Å; E112-I124 HydrophobicContact CG-CG2 4.28Å
113	G	64.2	Low	59.8	Low	40 Å²	40	72.5 Å²	72.5	41%	0.412	42%	0.423	S	S	.	.	H	α-helix	trans	-59.7	-43.6	176.3	0	0	0	0	0	113	D109 I110 L111 K117	D109-G113 PolarHBondContact O-N 3.08Å; I110-G113 PolarHBondContact O-N 2.81Å; L111-G113 VanDerWaalsContact C-N 3.32Å; L111-G113 PolarHBondContact O-N 2.97Å; G113-K117 VanDerWaalsContact O-CB 3.31Å; G113-K117 WeakPolarHBondContact O-CB 3.45Å; G113-K117 PolarHBondContact O-N 3.09Å
114	I	62.7	Low	60.7	Low	71 Å²	71	70 Å²	70	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-49.1	175.1	-67.8	165.9	0	0	0	110	I110 L111 E112 R116 K117 E118	I110-I114 HydrophobicContact CG2-CD1 3.87Å; I110-I114 VanDerWaalsContact O-CG1 3.3Å; I110-I114 WeakPolarHBondContact O-CG1 3.15Å; I110-I114 PolarHBondContact O-N 3.06Å; L111-I114 PolarHBondContact O-N 3.41Å; E112-I114 PolarHBondContact O-N 2.92Å; I114-R116 PolarHBondContact O-N 3.45Å; I114-K117 PolarHBondContact O-N 2.93Å; I114-E118 WeakPolarHBondContact O-CB 3.42Å; I114-E118 WeakPolarHBondContact O-CG 3.33Å; I114-E118 PolarHBondContact O-N 3.44Å; I114-E118 VanDerWaalsContact O-N 3.11Å
115	L	61.3	Low	61.9	Low	22 Å²	22	72.2 Å²	72.2	12%	0.115	39%	0.394	C	S	.	.	H	α-helix	trans	-63.2	-40.9	-178.7	-69.6	174.8	0	0	0	112.1	L111 E112 E118 G119 M120 L123 I124	L111-L115 HydrophobicContact CD1-CD1 4.26Å; L111-L115 HydrophobicContact CD1-CG 4.27Å; L111-L115 HydrophobicContact CG-CD1 3.95Å; L111-L115 HydrophobicContact CG-CG 4.37Å; L111-L115 WeakPolarHBondContact O-CB 3.21Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.46Å; L111-L115 PolarHBondContact O-N 3.48Å; E112-L115 PolarHBondContact O-N 2.75Å; L115-E118 CarbonylContact O-C 3.6Å; L115-E118 PolarHBondContact O-N 3.32Å; L115-G119 PolarHBondContact O-N 2.87Å; L115-M120 HydrophobicContact CB-CB 4.23Å; L115-M120 HydrophobicContact CD2-CB 4.05Å; L115-M120 HydrophobicContact CD2-CE 3.73Å; L115-M120 HydrophobicContact CD2-CG 4.45Å; L115-M120 HydrophobicContact CD2-SD 3.65Å; L115-M120 WeakPolarHBondContact O-CB 3.31Å; L115-M120 PolarHBondContact O-N 3.1Å; L115-L123 HydrophobicContact CD1-CD2 3.91Å; L115-L123 HydrophobicContact CD2-CD2 4.22Å; L115-I124 HydrophobicContact CB-CD1 3.74Å; L115-I124 HydrophobicContact CB-CG1 3.73Å; L115-I124 HydrophobicContact CD1-CG1 3.94Å
116	R	68	Low	62.6	Low	130 Å²	130	72.1 Å²	72.1	49%	0.491	39%	0.393	S	S	.	.	H	α-helix	trans	-64.2	-45.9	176.1	-76.3	-176	-177.4	-97.7	1.5	111.7	E112 I114 E118 G119 I124	E112-R116 HydrophobicContact CG-CG 4.4Å; E112-R116 WeakPolarHBondContact O-CB 3.45Å; E112-R116 WeakPolarHBondContact O-CG 3.45Å; E112-R116 PolarHBondContact O-N 3.27Å; E112-R116 IonicContact OE1-CZ 2.61Å; E112-R116 IonicContact OE1-NE 3.14Å; E112-R116 PolarHBondContact OE1-NE 3.48Å; E112-R116 IonicContact OE1-NH2 3.01Å; E112-R116 PolarHBondContact OE1-NH2 3.06Å; I114-R116 PolarHBondContact O-N 3.45Å; R116-E118 PolarHBondContact O-N 3.36Å; R116-G119 PolarHBondContact O-N 2.84Å; R116-I124 HydrophobicContact CB-CD1 4.37Å; R116-I124 HydrophobicContact CG-CD1 3.42Å; R116-I124 VanDerWaalsContact CG-CD1 3.42Å
117	K	68.1	Low	63.3	Low	184 Å²	184	71.2 Å²	71.2	80%	0.8	38%	0.381	S	S	*	.	H	α-helix	trans	-59.3	-30.8	178.2	-171.8	176.5	-179.6	-179.4	0	111.9	G113 I114 G119	G113-K117 VanDerWaalsContact O-CB 3.31Å; G113-K117 WeakPolarHBondContact O-CB 3.45Å; G113-K117 PolarHBondContact O-N 3.09Å; I114-K117 PolarHBondContact O-N 2.93Å; K117-G119 VanDerWaalsContact C-N 3.34Å
118	E	59.5	Low	64.3	Low	96 Å²	96	72 Å²	72	45%	0.449	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	4.9	179	-62.7	-67.5	-171.5	0	0	113.5	K70 I114 L115 R116 M120	K70-E118 IonicContact NZ-OE1 3.67Å; K70-E118 PolarHBondContact NZ-OE1 2.84Å; K70-E118 IonicContact NZ-OE2 2.75Å; K70-E118 PolarHBondContact NZ-OE2 3.11Å; I114-E118 WeakPolarHBondContact O-CB 3.42Å; I114-E118 WeakPolarHBondContact O-CG 3.33Å; I114-E118 PolarHBondContact O-N 3.44Å; I114-E118 VanDerWaalsContact O-N 3.11Å; L115-E118 CarbonylContact O-C 3.6Å; L115-E118 PolarHBondContact O-N 3.32Å; R116-E118 PolarHBondContact O-N 3.36Å; E118-M120 VanDerWaalsContact C-N 3.26Å; E118-M120 HydrophobicContact CB-CG 4.23Å; E118-M120 HydrophobicContact CB-SD 4.44Å; E118-M120 PolarHBondContact O-N 3.47Å
119	G	59	Low	65.1	Low	53 Å²	53	77.2 Å²	77.2	55%	0.546	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	11.8	178.2	0	0	0	0	0	114.6	L115 R116 K117 N121	L115-G119 PolarHBondContact O-N 2.87Å; R116-G119 PolarHBondContact O-N 2.84Å; K117-G119 VanDerWaalsContact C-N 3.34Å; G119-N121 PolarHBondContact O-N 3.31Å
120	M	68.5	Low	65.6	Low	33 Å²	33	74.6 Å²	74.6	16%	0.163	38%	0.379	C	S	.	.			trans	-81.8	37.3	-175.6	-62.4	-177.1	59.1	0	0	113.5	A67 L115 E118 A122 L123 I124	A67-M120 HydrophobicContact CB-CE 3.37Å; L115-M120 HydrophobicContact CB-CB 4.23Å; L115-M120 HydrophobicContact CD2-CB 4.05Å; L115-M120 HydrophobicContact CD2-CE 3.73Å; L115-M120 HydrophobicContact CD2-CG 4.45Å; L115-M120 HydrophobicContact CD2-SD 3.65Å; L115-M120 WeakPolarHBondContact O-CB 3.31Å; L115-M120 PolarHBondContact O-N 3.1Å; E118-M120 VanDerWaalsContact C-N 3.26Å; E118-M120 HydrophobicContact CB-CG 4.23Å; E118-M120 HydrophobicContact CB-SD 4.44Å; E118-M120 PolarHBondContact O-N 3.47Å; M120-A122 PolarHBondContact O-N 2.94Å; M120-A122 VanDerWaalsContact O-N 3.1Å; M120-L123 HydrophobicContact CB-CB 4.41Å; M120-L123 HydrophobicContact CE-CB 4.15Å; M120-L123 HydrophobicContact CE-CD1 3.74Å; M120-L123 HydrophobicContact CE-CD2 4.39Å; M120-L123 HydrophobicContact CE-CG 4.31Å; M120-L123 PolarHBondContact O-N 3.29Å; M120-I124 PolarHBondContact O-N 3.38Å
121	N	71.9	Confident	65.8	Low	65 Å²	65	72.7 Å²	72.7	35%	0.348	37%	0.369	S	S	.	.	H	α-helix	trans	-59.4	-25.2	-178.5	-66.1	-50	0	0	0	113.5	G119 R125	G119-N121 PolarHBondContact O-N 3.31Å; N121-R125 WeakPolarHBondContact O-CG 3.24Å; N121-R125 PolarHBondContact O-N 3.35Å; N121-R125 PolarHBondContact O-NE 2.98Å
122	A	66.7	Low	66.2	Low	70 Å²	70	74.3 Å²	74.3	58%	0.579	38%	0.383	S	S	*	.	H	α-helix	trans	-67.7	-39.8	174.6	0	0	0	0	0	111.9	M120 R125 S126	M120-A122 PolarHBondContact O-N 2.94Å; M120-A122 VanDerWaalsContact O-N 3.1Å; A122-R125 PolarHBondContact O-N 2.88Å; A122-S126 PolarHBondContact O-N 3.43Å
123	L	63.1	Low	66.6	Low	53 Å²	53	78.9 Å²	78.9	28%	0.277	40%	0.398	S	S	.	.	H	α-helix	trans	-72.5	-40.5	-178.8	-164.5	133.1	0	0	0	111.1	A67 L115 M120 R125 S126 F127	A67-L123 HydrophobicContact CB-CD1 3.96Å; L115-L123 HydrophobicContact CD1-CD2 3.91Å; L115-L123 HydrophobicContact CD2-CD2 4.22Å; M120-L123 HydrophobicContact CB-CB 4.41Å; M120-L123 HydrophobicContact CE-CB 4.15Å; M120-L123 HydrophobicContact CE-CD1 3.74Å; M120-L123 HydrophobicContact CE-CD2 4.39Å; M120-L123 HydrophobicContact CE-CG 4.31Å; M120-L123 PolarHBondContact O-N 3.29Å; L123-R125 PolarHBondContact O-N 2.86Å; L123-S126 WeakPolarHBondContact O-CA 2.97Å; L123-S126 WeakPolarHBondContact O-CB 3.33Å; L123-S126 PolarHBondContact O-N 2.96Å; L123-F127 PolarHBondContact O-N 3.24Å
124	I	61	Low	66.8	Low	11 Å²	11	82.7 Å²	82.7	6%	0.056	41%	0.405	C	S	.	.	H	α-helix	trans	-55.1	-51.4	172	-61.6	172	0	0	0	110.4	E112 L115 R116 M120 S126 F127 E128	E112-I124 HydrophobicContact CG-CD1 4.07Å; E112-I124 HydrophobicContact CG-CG2 4.28Å; L115-I124 HydrophobicContact CB-CD1 3.74Å; L115-I124 HydrophobicContact CB-CG1 3.73Å; L115-I124 HydrophobicContact CD1-CG1 3.94Å; R116-I124 HydrophobicContact CB-CD1 4.37Å; R116-I124 HydrophobicContact CG-CD1 3.42Å; R116-I124 VanDerWaalsContact CG-CD1 3.42Å; M120-I124 PolarHBondContact O-N 3.38Å; I124-S126 PolarHBondContact O-N 3.44Å; I124-F127 WeakPolarHBondContact O-CB 3.37Å; I124-F127 PolarHBondContact O-N 3.35Å; I124-F127 VanDerWaalsContact O-N 3.08Å; I124-E128 HydrophobicContact CG2-CG 4.39Å; I124-E128 WeakPolarHBondContact O-CG 3.37Å; I124-E128 PolarHBondContact O-N 3.44Å
125	R	72.9	Confident	67.2	Low	150 Å²	150	87.3 Å²	87.3	57%	0.566	42%	0.418	S	S	*	.	H	α-helix	trans	-62.9	-26.1	177.5	-75.4	-174.8	-78.9	-160.4	-0.8	113.7	N121 A122 L123 R129	N121-R125 WeakPolarHBondContact O-CG 3.24Å; N121-R125 PolarHBondContact O-N 3.35Å; N121-R125 PolarHBondContact O-NE 2.98Å; A122-R125 PolarHBondContact O-N 2.88Å; L123-R125 PolarHBondContact O-N 2.86Å; R125-R129 WeakPolarHBondContact O-CB 3.47Å; R125-R129 VanDerWaalsContact O-CG 3.3Å; R125-R129 WeakPolarHBondContact O-CG 3.39Å; R125-R129 PolarHBondContact O-N 3.25Å; R125-R129 PolarHBondContact O-NE 2.82Å
126	S	64.9	Low	67.9	Low	60 Å²	60	90.3 Å²	90.3	42%	0.42	44%	0.437	S	S	.	.	H	α-helix	trans	-72.2	-45.8	172.9	-162.2	0	0	0	0	110.7	A122 L123 I124 R129 E130	A122-S126 PolarHBondContact O-N 3.43Å; L123-S126 WeakPolarHBondContact O-CA 2.97Å; L123-S126 WeakPolarHBondContact O-CB 3.33Å; L123-S126 PolarHBondContact O-N 2.96Å; I124-S126 PolarHBondContact O-N 3.44Å; S126-R129 WeakPolarHBondContact O-CB 3.42Å; S126-R129 PolarHBondContact O-N 3.27Å; S126-E130 PolarHBondContact O-N 3.42Å
127	F	64.7	Low	68.1	Low	52 Å²	52	90.2 Å²	90.2	23%	0.228	44%	0.44	C	S	.	.	H	α-helix	trans	-62.5	-45.4	177.8	-174.8	-110.4	0	0	0	112.3	F45 L123 I124 R129 E130 I131	F45-F127 AromaticContact CD1-CD2 3.97Å; F45-F127 HydrophobicContact CD1-CD2 3.97Å; F45-F127 HydrophobicContact CD1-CE2 4.18Å; F45-F127 AromaticContact CE1-CD2 3.85Å; F45-F127 HydrophobicContact CE1-CD2 3.85Å; F45-F127 HydrophobicContact CG-CD2 4.49Å; F45-F127 HydrophobicContact CG-CE2 4.39Å; F45-F127 HydrophobicContact CZ-CD2 4.27Å; L123-F127 PolarHBondContact O-N 3.24Å; I124-F127 WeakPolarHBondContact O-CB 3.37Å; I124-F127 PolarHBondContact O-N 3.35Å; I124-F127 VanDerWaalsContact O-N 3.08Å; F127-R129 VanDerWaalsContact C-N 3.28Å; F127-R129 PolarHBondContact O-N 2.93Å; F127-E130 PolarHBondContact O-N 3.19Å; F127-E130 VanDerWaalsContact O-N 3.11Å; F127-I131 HydrophobicContact CD1-CD1 3.76Å; F127-I131 HydrophobicContact CD1-CG1 4.47Å; F127-I131 HydrophobicContact CE1-CD1 3.25Å; F127-I131 HydrophobicContact CE1-CG1 4.18Å; F127-I131 HydrophobicContact CE2-CD1 4.32Å; F127-I131 HydrophobicContact CE2-CG1 4.48Å; F127-I131 HydrophobicContact CG-CD1 4.49Å; F127-I131 HydrophobicContact CZ-CD1 3.57Å; F127-I131 HydrophobicContact CZ-CG1 4.18Å; F127-I131 PolarHBondContact O-N 2.78Å
128	E	72.6	Confident	68.5	Low	91 Å²	91	84.2 Å²	84.2	43%	0.425	43%	0.425	S	S	.	.	H	α-helix	trans	-58.4	-39.4	174.6	-71.3	173.6	157.6	0	0	112.5	I124 S132	I124-E128 HydrophobicContact CG2-CG 4.39Å; I124-E128 WeakPolarHBondContact O-CG 3.37Å; I124-E128 PolarHBondContact O-N 3.44Å; E128-S132 WeakPolarHBondContact O-CB 3.48Å; E128-S132 PolarHBondContact O-N 2.85Å; E128-S132 PolarHBondContact O-OG 3.18Å
129	R	73.6	Confident	69.1	Low	158 Å²	158	85.3 Å²	85.3	60%	0.596	43%	0.433	S	S	*	.	H	α-helix	trans	-67.1	-40.2	175.9	-81	-175.8	-74.2	-179.6	0.6	111.6	R125 S126 F127 S132 R133	R125-R129 WeakPolarHBondContact O-CB 3.47Å; R125-R129 VanDerWaalsContact O-CG 3.3Å; R125-R129 WeakPolarHBondContact O-CG 3.39Å; R125-R129 PolarHBondContact O-N 3.25Å; R125-R129 PolarHBondContact O-NE 2.82Å; S126-R129 WeakPolarHBondContact O-CB 3.42Å; S126-R129 PolarHBondContact O-N 3.27Å; F127-R129 VanDerWaalsContact C-N 3.28Å; F127-R129 PolarHBondContact O-N 2.93Å; R129-S132 PolarHBondContact O-N 2.95Å; R129-R133 WeakPolarHBondContact O-CG 3.42Å; R129-R133 PolarHBondContact O-N 3.37Å
130	E	70.3	Confident	69.8	Low	49 Å²	49	92 Å²	92	23%	0.229	44%	0.442	C	S	.	.	H	α-helix	trans	-69.1	-42.9	177.6	-168.4	53	-141.7	0	0	111.7	F45 S126 F127 S132 R133 Q134	F45-E130 HydrophobicContact CE2-CG 4.44Å; S126-E130 PolarHBondContact O-N 3.42Å; F127-E130 PolarHBondContact O-N 3.19Å; F127-E130 VanDerWaalsContact O-N 3.11Å; E130-S132 VanDerWaalsContact C-N 3.27Å; E130-S132 PolarHBondContact O-N 3Å; E130-R133 CarbonylContact O-C 3.57Å; E130-R133 WeakPolarHBondContact O-CB 3.39Å; E130-R133 PolarHBondContact O-N 2.91Å; E130-R133 VanDerWaalsContact O-N 3.09Å; E130-R133 WeakPolarHBondContact OE2-CD 3.32Å; E130-R133 IonicContact OE2-NH1 2.68Å; E130-Q134 WeakPolarHBondContact O-CG 3.33Å; E130-Q134 PolarHBondContact O-N 3.16Å
131	I	66.9	Low	69.9	Low	54 Å²	54	95.5 Å²	95.5	28%	0.277	46%	0.461	S	S	.	.	H	α-helix	trans	-56.8	-44	171.5	-71.7	-179.7	0	0	0	110.7	F127 R133 Q134 R135	F127-I131 HydrophobicContact CD1-CD1 3.76Å; F127-I131 HydrophobicContact CD1-CG1 4.47Å; F127-I131 HydrophobicContact CE1-CD1 3.25Å; F127-I131 HydrophobicContact CE1-CG1 4.18Å; F127-I131 HydrophobicContact CE2-CD1 4.32Å; F127-I131 HydrophobicContact CE2-CG1 4.48Å; F127-I131 HydrophobicContact CG-CD1 4.49Å; F127-I131 HydrophobicContact CZ-CD1 3.57Å; F127-I131 HydrophobicContact CZ-CG1 4.18Å; F127-I131 PolarHBondContact O-N 2.78Å; I131-R133 VanDerWaalsContact C-N 3.32Å; I131-R133 PolarHBondContact O-N 2.79Å; I131-Q134 PolarHBondContact O-N 2.8Å; I131-R135 HydrophobicContact CG2-CG 4.35Å; I131-R135 WeakPolarHBondContact O-CB 3.32Å; I131-R135 WeakPolarHBondContact O-CG 3.47Å; I131-R135 PolarHBondContact O-N 3.29Å
132	S	69.8	Low	69.9	Low	63 Å²	63	95 Å²	95	44%	0.441	47%	0.466	S	S	.	.	H	α-helix	trans	-63	-39.1	177.6	-61.6	0	0	0	0	112	E128 R129 E130 R135 T136	E128-S132 WeakPolarHBondContact O-CB 3.48Å; E128-S132 PolarHBondContact O-N 2.85Å; E128-S132 PolarHBondContact O-OG 3.18Å; R129-S132 PolarHBondContact O-N 2.95Å; E130-S132 VanDerWaalsContact C-N 3.27Å; E130-S132 PolarHBondContact O-N 3Å; S132-R135 PolarHBondContact O-N 3.5Å; S132-T136 WeakPolarHBondContact O-CG2 3.37Å; S132-T136 PolarHBondContact O-N 3.26Å; S132-T136 PolarHBondContact O-OG1 3.48Å
133	R	69.8	Low	70	Confident	152 Å²	152	95.3 Å²	95.3	57%	0.574	46%	0.461	S	S	*	.	H	α-helix	trans	-64.3	-42.4	173.1	-75	171.6	173.4	-172.7	-1.9	112.1	R129 E130 I131 T136 K137	R129-R133 WeakPolarHBondContact O-CG 3.42Å; R129-R133 PolarHBondContact O-N 3.37Å; E130-R133 CarbonylContact O-C 3.57Å; E130-R133 WeakPolarHBondContact O-CB 3.39Å; E130-R133 PolarHBondContact O-N 2.91Å; E130-R133 VanDerWaalsContact O-N 3.09Å; E130-R133 WeakPolarHBondContact OE2-CD 3.32Å; E130-R133 IonicContact OE2-NH1 2.68Å; I131-R133 VanDerWaalsContact C-N 3.32Å; I131-R133 PolarHBondContact O-N 2.79Å; R133-T136 WeakPolarHBondContact CA-OG1 3.39Å; R133-T136 PolarHBondContact O-N 2.99Å; R133-T136 PolarHBondContact O-OG1 3.34Å; R133-K137 WeakPolarHBondContact O-CB 3.44Å; R133-K137 VanDerWaalsContact O-CG 3.32Å; R133-K137 WeakPolarHBondContact O-CG 3.36Å; R133-K137 PolarHBondContact O-N 2.9Å
134	Q	67.7	Low	70	Confident	120 Å²	120	94.7 Å²	94.7	56%	0.561	47%	0.467	S	S	*	.	H	α-helix	trans	-65.4	-42.3	175.8	-69.2	-162.2	8.7	0	0	111.8	E130 I131 T136 K137 A138	E130-Q134 WeakPolarHBondContact O-CG 3.33Å; E130-Q134 PolarHBondContact O-N 3.16Å; I131-Q134 PolarHBondContact O-N 2.8Å; Q134-T136 PolarHBondContact O-N 3.49Å; Q134-K137 PolarHBondContact O-N 2.78Å; Q134-A138 WeakPolarHBondContact O-CB 3.47Å; Q134-A138 PolarHBondContact O-N 2.89Å
135	R	70.4	Confident	69.8	Low	168 Å²	168	100 Å²	100	63%	0.634	49%	0.492	S	S	*	.	H	α-helix	trans	-59.9	-43.9	174.9	-73.9	176.4	-178.3	174.2	2.5	112	I131 S132 A138 L139	I131-R135 HydrophobicContact CG2-CG 4.35Å; I131-R135 WeakPolarHBondContact O-CB 3.32Å; I131-R135 WeakPolarHBondContact O-CG 3.47Å; I131-R135 PolarHBondContact O-N 3.29Å; S132-R135 PolarHBondContact O-N 3.5Å; R135-A138 PolarHBondContact O-N 2.85Å; R135-L139 WeakPolarHBondContact O-CB 3.41Å; R135-L139 WeakPolarHBondContact O-CG 3.48Å; R135-L139 PolarHBondContact O-N 3.35Å
136	T	76.4	Confident	69.1	Low	85 Å²	85	99.3 Å²	99.3	52%	0.521	50%	0.495	S	S	.	.	H	α-helix	trans	-67.5	-38.2	176.7	48.3	0	0	0	0	112.8	S132 R133 Q134 R140	S132-T136 WeakPolarHBondContact O-CG2 3.37Å; S132-T136 PolarHBondContact O-N 3.26Å; S132-T136 PolarHBondContact O-OG1 3.48Å; R133-T136 WeakPolarHBondContact CA-OG1 3.39Å; R133-T136 PolarHBondContact O-N 2.99Å; R133-T136 PolarHBondContact O-OG1 3.34Å; Q134-T136 PolarHBondContact O-N 3.49Å; T136-R140 WeakPolarHBondContact O-CB 3.46Å; T136-R140 PolarHBondContact O-N 2.82Å
137	K	73.4	Confident	68.6	Low	128 Å²	128	103.9 Å²	103.9	56%	0.557	51%	0.507	S	S	*	.	H	α-helix	trans	-61.8	-46.5	171.2	-74.9	174.7	-179.9	175.4	0	111.3	R133 Q134 L139 R140 N141	R133-K137 WeakPolarHBondContact O-CB 3.44Å; R133-K137 VanDerWaalsContact O-CG 3.32Å; R133-K137 WeakPolarHBondContact O-CG 3.36Å; R133-K137 PolarHBondContact O-N 2.9Å; Q134-K137 PolarHBondContact O-N 2.78Å; K137-L139 PolarHBondContact O-N 2.77Å; K137-R140 PolarHBondContact O-N 2.8Å; K137-N141 WeakPolarHBondContact O-CB 3.39Å; K137-N141 PolarHBondContact O-N 2.69Å; K137-N141 PolarHBondContact O-OD1 2.98Å
138	A	75.1	Confident	68.2	Low	58 Å²	58	104.6 Å²	104.6	48%	0.479	52%	0.519	S	S	.	.	H	α-helix	trans	-61.2	-44.1	178.1	0	0	0	0	0	112	Q134 R135 R140 N141 A142	Q134-A138 WeakPolarHBondContact O-CB 3.47Å; Q134-A138 PolarHBondContact O-N 2.89Å; R135-A138 PolarHBondContact O-N 2.85Å; A138-R140 PolarHBondContact O-N 3.32Å; A138-N141 PolarHBondContact O-N 3.24Å; A138-A142 WeakPolarHBondContact O-CB 3.46Å; A138-A142 PolarHBondContact O-N 2.98Å
139	L	73	Confident	67.4	Low	118 Å²	118	106.6 Å²	106.6	62%	0.618	53%	0.526	S	S	*	.	H	α-helix	trans	-61.7	-42.8	175.1	-77.9	166.3	0	0	0	112.3	R135 K137 N141 A142 T143	R135-L139 WeakPolarHBondContact O-CB 3.41Å; R135-L139 WeakPolarHBondContact O-CG 3.48Å; R135-L139 PolarHBondContact O-N 3.35Å; K137-L139 PolarHBondContact O-N 2.77Å; L139-N141 VanDerWaalsContact C-N 3.35Å; L139-A142 PolarHBondContact O-N 3.24Å; L139-T143 PolarHBondContact O-N 2.95Å; L139-T143 PolarHBondContact O-OG1 3.43Å
140	R	72.4	Confident	66.4	Low	194 Å²	194	106 Å²	106	73%	0.732	53%	0.53	S	S	*	.	H	α-helix	trans	-64.4	-40.1	176.6	-175.3	-177.9	-75.3	178.2	-4.2	111.5	T136 K137 A138 T143 G144	T136-R140 WeakPolarHBondContact O-CB 3.46Å; T136-R140 PolarHBondContact O-N 2.82Å; K137-R140 PolarHBondContact O-N 2.8Å; A138-R140 PolarHBondContact O-N 3.32Å; R140-T143 WeakPolarHBondContact CA-OG1 3.5Å; R140-T143 PolarHBondContact O-N 2.99Å; R140-T143 PolarHBondContact O-OG1 2.68Å; R140-G144 PolarHBondContact O-N 3.16Å
141	N	70.9	Confident	65.8	Low	106 Å²	106	106.7 Å²	106.7	57%	0.567	54%	0.54	S	S	*	.	H	α-helix	trans	-65.9	-43.3	176.7	-67.5	-6.3	0	0	0	110.8	K137 A138 L139 T143 G144 E145	K137-N141 WeakPolarHBondContact O-CB 3.39Å; K137-N141 PolarHBondContact O-N 2.69Å; K137-N141 PolarHBondContact O-OD1 2.98Å; A138-N141 PolarHBondContact O-N 3.24Å; L139-N141 VanDerWaalsContact C-N 3.35Å; N141-T143 PolarHBondContact O-N 3.49Å; N141-G144 PolarHBondContact O-N 3.39Å; N141-E145 PolarHBondContact O-N 2.92Å
142	A	72.2	Confident	65.3	Low	54 Å²	54	110.3 Å²	110.3	45%	0.446	56%	0.556	S	S	.	*	H	α-helix	trans	-62	-43.3	175.9	0	0	0	0	0	112.6	A138 L139 E145 E146	A138-A142 WeakPolarHBondContact O-CB 3.46Å; A138-A142 PolarHBondContact O-N 2.98Å; L139-A142 PolarHBondContact O-N 3.24Å; A142-E145 PolarHBondContact O-N 2.68Å; A142-E146 PolarHBondContact O-N 3.2Å; A142-E146 VanDerWaalsContact O-N 3.1Å
143	T	69.9	Low	64.6	Low	77 Å²	77	113.6 Å²	113.6	47%	0.472	57%	0.569	S	S	.	*	H	α-helix	trans	-71.4	-30.3	175.4	26.3	0	0	0	0	113.1	L139 R140 N141 K147	L139-T143 PolarHBondContact O-N 2.95Å; L139-T143 PolarHBondContact O-OG1 3.43Å; R140-T143 WeakPolarHBondContact CA-OG1 3.5Å; R140-T143 PolarHBondContact O-N 2.99Å; R140-T143 PolarHBondContact O-OG1 2.68Å; N141-T143 PolarHBondContact O-N 3.49Å; T143-K147 PolarHBondContact O-N 3.1Å
144	G	62.2	Low	64	Low	40 Å²	40	116.5 Å²	116.5	41%	0.412	58%	0.58	S	S	.	*	H	α-helix	trans	-64.8	-43.4	172.3	0	0	0	0	0	112	R140 N141 K147 S148	R140-G144 PolarHBondContact O-N 3.16Å; N141-G144 PolarHBondContact O-N 3.39Å; G144-K147 PolarHBondContact O-N 3.46Å; G144-S148 PolarHBondContact O-N 3.04Å
145	E	57.3	Low	63.5	Low	122 Å²	122	119.8 Å²	119.8	57%	0.57	59%	0.592	S	S	*	*	H	α-helix	trans	-64.3	-40.1	175.3	-77.3	-173.6	-177.8	0	0	112.5	N141 A142 K147 S148 K149	N141-E145 PolarHBondContact O-N 2.92Å; A142-E145 PolarHBondContact O-N 2.68Å; E145-K147 VanDerWaalsContact C-N 3.35Å; E145-K147 PolarHBondContact O-N 3.41Å; E145-S148 PolarHBondContact O-N 3.16Å; E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 3.35Å
146	E	56.6	Low	62.7	Low	136 Å²	136	119.2 Å²	119.2	64%	0.636	60%	0.597	S	S	*	*	H	α-helix	trans	-60.9	-42.4	174.9	-80.2	-171.7	159.6	0	0	112.2	A142 S148 K149 Q150	A142-E146 PolarHBondContact O-N 3.2Å; A142-E146 VanDerWaalsContact O-N 3.1Å; E146-S148 VanDerWaalsContact C-N 3.35Å; E146-S148 PolarHBondContact O-N 2.76Å; E146-K149 PolarHBondContact O-N 2.96Å; E146-Q150 WeakPolarHBondContact O-CB 3.4Å; E146-Q150 PolarHBondContact O-N 3.34Å
147	K	56	Low	61.5	Low	156 Å²	156	119.4 Å²	119.4	68%	0.678	60%	0.602	S	S	*	*	H	α-helix	trans	-65.1	-38.2	175.9	-74.6	-172.9	177.9	-177.1	0	112.4	T143 G144 E145 Q150 S151	T143-K147 PolarHBondContact O-N 3.1Å; G144-K147 PolarHBondContact O-N 3.46Å; E145-K147 VanDerWaalsContact C-N 3.35Å; E145-K147 PolarHBondContact O-N 3.41Å; K147-Q150 PolarHBondContact O-N 2.97Å; K147-S151 PolarHBondContact O-N 3.34Å; K147-S151 PolarHBondContact O-OG 3Å
148	S	56.1	Low	60.9	Low	67 Å²	67	119 Å²	119	47%	0.469	61%	0.612	S	S	.	*	H	α-helix	trans	-62.6	-48.2	176.3	-163	0	0	0	0	111	G144 E145 E146 Q150 S151 E152	G144-S148 PolarHBondContact O-N 3.04Å; E145-S148 PolarHBondContact O-N 3.16Å; E146-S148 VanDerWaalsContact C-N 3.35Å; E146-S148 PolarHBondContact O-N 2.76Å; S148-Q150 VanDerWaalsContact C-N 3.29Å; S148-Q150 PolarHBondContact O-N 3.48Å; S148-S151 PolarHBondContact O-N 3.25Å; S148-S151 VanDerWaalsContact O-N 3.16Å; S148-S151 PolarHBondContact O-OG 3.36Å; S148-E152 PolarHBondContact O-N 3Å
149	K	55.5	Low	60	Low	133 Å²	133	129.1 Å²	129.1	58%	0.578	65%	0.646	S	S	*	*	H	α-helix	trans	-61.3	-36.9	176.9	-70.2	176.5	-176.6	172.7	0	112.3	E145 E146 E152 N153	E145-K149 WeakPolarHBondContact O-CG 3.42Å; E145-K149 PolarHBondContact O-N 3.35Å; E146-K149 PolarHBondContact O-N 2.96Å; K149-E152 PolarHBondContact O-N 3.2Å; K149-N153 PolarHBondContact O-N 3.43Å
150	Q	53.6	Low	59.3	Low	146 Å²	146	129.7 Å²	129.7	68%	0.682	65%	0.647	S	S	*	*	H	α-helix	trans	-71	-32.5	177.9	-156.3	174.6	20.8	0	0	112.7	E146 K147 S148	E146-Q150 WeakPolarHBondContact O-CB 3.4Å; E146-Q150 PolarHBondContact O-N 3.34Å; K147-Q150 PolarHBondContact O-N 2.97Å; S148-Q150 VanDerWaalsContact C-N 3.29Å; S148-Q150 PolarHBondContact O-N 3.48Å
151	S	57	Low	58.6	Low	63 Å²	63	126.3 Å²	126.3	44%	0.441	64%	0.643	S	S	.	*	H	α-helix	trans	-72.7	-35.4	172.4	59.3	0	0	0	0	112.9	K147 S148 R154 F155	K147-S151 PolarHBondContact O-N 3.34Å; K147-S151 PolarHBondContact O-OG 3Å; S148-S151 PolarHBondContact O-N 3.25Å; S148-S151 VanDerWaalsContact O-N 3.16Å; S148-S151 PolarHBondContact O-OG 3.36Å; S151-R154 PolarHBondContact O-N 3.2Å; S151-F155 WeakPolarHBondContact O-CD2 3.48Å
152	E	55.2	Low	57.9	Low	131 Å²	131	127.4 Å²	127.4	61%	0.612	65%	0.647	S	S	*	*	H	α-helix	trans	-69.5	-39.9	-178.1	-139	166.2	-169.5	0	0	111.9	S148 K149 R154 F155	S148-E152 PolarHBondContact O-N 3Å; K149-E152 PolarHBondContact O-N 3.2Å; E152-R154 PolarHBondContact O-N 3.24Å; E152-F155 PolarHBondContact O-N 3.24Å
153	N	56.5	Low	57.1	Low	131 Å²	131	131.8 Å²	131.8	70%	0.701	66%	0.659	S	S	*	*	H	α-helix	trans	-66	-20.4	173.3	-89.7	-2	0	0	0	113.8	K149 F155	K149-N153 PolarHBondContact O-N 3.43Å; N153-F155 VanDerWaalsContact C-N 3.34Å
154	R	55.8	Low	56.3	Low	213 Å²	213	135.2 Å²	135.2	80%	0.804	67%	0.671	S	S	*	*	H	α-helix	trans	-80.2	-18	178.8	-156.2	-176.7	-91.3	-162.4	-4.8	112.6	S151 E152	S151-R154 PolarHBondContact O-N 3.2Å; E152-R154 PolarHBondContact O-N 3.24Å
155	F	59.2	Low	55.9	Low	189 Å²	189	141.5 Å²	141.5	83%	0.829	69%	0.688	S	S	*	*	H	α-helix	trans	-94.8	-10.7	178.7	-83.7	-82.8	0	0	0	114.3	S151 E152 N153 S157	S151-F155 WeakPolarHBondContact O-CD2 3.48Å; E152-F155 PolarHBondContact O-N 3.24Å; N153-F155 VanDerWaalsContact C-N 3.34Å; F155-S157 VanDerWaalsContact C-N 3.32Å; F155-S157 PolarHBondContact O-N 3.3Å
156	Q	52.6	Low	55.8	Low	157 Å²	157	142.9 Å²	142.9	73%	0.734	70%	0.696	S	S	*	*			trans	-95.4	47.8	172.7	-68	-170.4	-5.5	0	0	112.4	P158	Q156-P158 VanDerWaalsContact C-CD 3.47Å; Q156-P158 WeakPolarHBondContact O-CD 3.16Å
157	S	50.4	Low	55.7	Low	89 Å²	89	143.5 Å²	143.5	62%	0.622	70%	0.701	S	S	*	*			trans	-101.6	91.7	161.8	-161.9	0	0	0	0	108.7	F155 F159	F155-S157 VanDerWaalsContact C-N 3.32Å; F155-S157 PolarHBondContact O-N 3.3Å; S157-F159 PolarHBondContact O-N 3.39Å
158	P	60.7	Low	55.7	Low	119 Å²	119	142.4 Å²	142.4	77%	0.773	70%	0.703	S	S	*	*			trans	-74.9	112.7	168.6	30.7	-28.8	0	0	0	107.6	Q156	Q156-P158 VanDerWaalsContact C-CD 3.47Å; Q156-P158 WeakPolarHBondContact O-CD 3.16Å
159	F	56.3	Low	55.7	Low	271 Å²	271	149.3 Å²	149.3	100%	1.189	72%	0.724	S	S	*	*			trans	-67.5	0	149.7	-79.8	-85.4	0	0	0	109	S157	S157-F159 PolarHBondContact O-N 3.39Å

Retrieved 159 of 159 residues in 38.8 ms (Link to these results)

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