A0A077YX63_TRITR Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 4

AlphaFold DB , UniProt , Accession A0A077YX63, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 182 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	37.4	Very low	38.7	Very low	248 Å²	248	174.6 Å²	174.6	100%	1.222	88%	0.881	S	S	*	*				0	112.2	0	-91.9	169.1	156	0	0	108.8
2	M	36	Very low	39	Very low	193 Å²	193	168.7 Å²	168.7	95%	0.951	86%	0.863	S	S	*	*			trans	-69.2	129.9	167.8	-76.1	178.9	167.7	0	0	109.5
3	C	39.3	Very low	39.3	Very low	133 Å²	133	173.8 Å²	173.8	90%	0.899	87%	0.865	S	S	*	*			trans	-148.7	64.5	156.5	-102.7	0	0	0	0	109.2
4	I	36.9	Very low	39.9	Very low	176 Å²	176	170.7 Å²	170.7	90%	0.903	86%	0.86	S	S	*	*			trans	-94.4	94.2	157.6	-60	170.8	0	0	0	105.2
5	R	38.5	Very low	40.1	Very low	211 Å²	211	166.6 Å²	166.6	80%	0.796	85%	0.846	S	S	*	*			trans	-154.7	132.8	168	-127.7	-174	176.4	-167.4	-0.2	113.4
6	K	37.3	Very low	40.2	Very low	156 Å²	156	162.6 Å²	162.6	68%	0.678	84%	0.835	S	S	*	*			trans	80.1	95.3	152.3	-60.2	179.1	176.6	-177	0	116.8
7	W	38.9	Very low	40.5	Very low	267 Å²	267	158.7 Å²	158.7	100%	1.011	83%	0.826	S	S	*	*			trans	-153.5	60.9	139.7	-90	92.7	0	0	0	110.5
8	A	32.2	Very low	40.5	Very low	90 Å²	90	156.7 Å²	156.7	74%	0.744	82%	0.821	S	S	*	*			trans	-162.8	129.8	151.4	0	0	0	0	0	105
9	P	45.8	Very low	40.8	Very low	116 Å²	116	154.8 Å²	154.8	75%	0.753	82%	0.816	S	S	*	*			cis	-139.3	139.3	42	36.3	-16.9	0	0	0	114.7
10	L	44.8	Very low	40.8	Very low	171 Å²	171	150.5 Å²	150.5	90%	0.895	80%	0.804	S	S	*	*			trans	-130.1	36.1	160.1	-74	175.5	0	0	0	110.6	P12	L10-P12 WeakPolarHBondContact O-CD 2.86Å
11	L	38.9	Very low	41	Very low	160 Å²	160	147.8 Å²	147.8	84%	0.838	80%	0.802	S	S	*	*			trans	-71.2	120.2	161.2	-72.7	175.4	0	0	0	106.8	R13	L11-R13 PolarHBondContact O-N 3.29Å
12	P	41.8	Very low	41.2	Very low	103 Å²	103	146.7 Å²	146.7	67%	0.669	79%	0.785	S	S	*	*			trans	-56	135.7	178.7	23.1	-31.6	0	0	0	107.8	L10 V14	L10-P12 WeakPolarHBondContact O-CD 2.86Å; P12-V14 VanDerWaalsContact C-N 3.29Å; P12-V14 PolarHBondContact O-N 3.36Å
13	R	43.4	Very low	41.3	Very low	236 Å²	236	140.1 Å²	140.1	89%	0.891	77%	0.767	S	S	*	*			trans	-45.1	103.6	161.9	-90.3	177.3	169.4	172.8	-3.8	106.2	L11 V15	L11-R13 PolarHBondContact O-N 3.29Å; R13-V15 PolarHBondContact O-N 3.11Å
14	V	47.2	Very low	41.5	Very low	130 Å²	130	140.1 Å²	140.1	79%	0.788	76%	0.762	S	S	*	*			trans	-64.8	90.9	162.6	177.8	0	0	0	0	103.2	P12 P16	P12-V14 VanDerWaalsContact C-N 3.29Å; P12-V14 PolarHBondContact O-N 3.36Å; V14-P16 WeakPolarHBondContact O-CD 3.1Å; V14-P16 VanDerWaalsContact O-N 3.16Å
15	V	43.3	Very low	41.8	Very low	109 Å²	109	136.4 Å²	136.4	66%	0.661	75%	0.747	S	S	*	*			trans	-56.8	117.3	159.2	-179.2	0	0	0	0	102.8	R13 S17	R13-V15 PolarHBondContact O-N 3.11Å; V15-S17 PolarHBondContact O-N 3.38Å
16	P	42.3	Very low	42.2	Very low	102 Å²	102	131.1 Å²	131.1	66%	0.662	74%	0.743	S	S	*	*			trans	-64	92.6	166.5	27.4	-29.8	0	0	0	104.5	V14 V18	V14-P16 WeakPolarHBondContact O-CD 3.1Å; V14-P16 VanDerWaalsContact O-N 3.16Å; P16-V18 HydrophobicContact CB-CG2 4.49Å; P16-V18 PolarHBondContact O-N 3.45Å
17	S	44.5	Very low	42.5	Very low	97 Å²	97	133.5 Å²	133.5	68%	0.678	75%	0.748	S	S	*	*			trans	-61.8	88.8	148.5	47.6	0	0	0	0	103.3	V15 V19	V15-S17 PolarHBondContact O-N 3.38Å; S17-V19 PolarHBondContact O-N 3.11Å
18	V	40.6	Very low	42.8	Very low	123 Å²	123	124.8 Å²	124.8	75%	0.745	73%	0.726	S	S	*	*			trans	-53.5	79.2	144.4	-175.8	0	0	0	0	103.4	P16 A20	P16-V18 HydrophobicContact CB-CG2 4.49Å; P16-V18 PolarHBondContact O-N 3.45Å; V18-A20 PolarHBondContact O-N 3.24Å
19	V	45.7	Very low	43.5	Very low	120 Å²	120	125.6 Å²	125.6	73%	0.727	72%	0.721	S	S	*	*			trans	-55.5	101.1	150.2	174.4	0	0	0	0	100	S17 A21	S17-V19 PolarHBondContact O-N 3.11Å; V19-A21 PolarHBondContact O-N 2.98Å
20	A	40.4	Very low	43.5	Very low	69 Å²	69	124.7 Å²	124.7	57%	0.57	71%	0.71	S	S	*	*			trans	-49	95	167.9	0	0	0	0	0	104.3	V18 R22	V18-A20 PolarHBondContact O-N 3.24Å; A20-R22 PolarHBondContact O-N 3.05Å
21	A	45.9	Very low	43.8	Very low	93 Å²	93	122 Å²	122	77%	0.769	70%	0.703	S	S	*	*			trans	-52	91.2	140.2	0	0	0	0	0	101.1	V19 G23	V19-A21 PolarHBondContact O-N 2.98Å; A21-G23 PolarHBondContact O-N 3.13Å
22	R	41.8	Very low	44.4	Very low	225 Å²	225	119.7 Å²	119.7	85%	0.849	70%	0.696	S	S	*	*			trans	-47.7	104.5	162	-86	179.9	165.7	-179.6	-4.2	101	A20 V24	A20-R22 PolarHBondContact O-N 3.05Å; R22-V24 PolarHBondContact O-N 3.43Å
23	G	37.1	Very low	45.2	Very low	56 Å²	56	119 Å²	119	58%	0.577	69%	0.686	S	S	*	*			trans	-55.2	102.3	163.3	0	0	0	0	0	101.9	A21 V25	A21-G23 PolarHBondContact O-N 3.13Å; G23-V25 PolarHBondContact O-N 3.01Å
24	V	45.2	Very low	46.3	Very low	132 Å²	132	116.1 Å²	116.1	80%	0.8	69%	0.689	S	S	*	*			trans	-66.1	77.4	147	-178.6	0	0	0	0	102.1	R22 S26	R22-V24 PolarHBondContact O-N 3.43Å; V24-S26 PolarHBondContact O-N 2.96Å
25	V	42.3	Very low	47.6	Very low	98 Å²	98	111.7 Å²	111.7	59%	0.594	66%	0.661	S	S	*	*			trans	-70.8	84.9	165.4	177.6	0	0	0	0	101.1	G23 R27	G23-V25 PolarHBondContact O-N 3.01Å; V25-R27 HydrophobicContact CG1-CB 3.76Å; V25-R27 HydrophobicContact CG1-CG 3.46Å; V25-R27 VanDerWaalsContact CG1-CG 3.46Å; V25-R27 PolarHBondContact O-N 3.33Å
26	S	47.4	Very low	49.2	Very low	100 Å²	100	108.5 Å²	108.5	70%	0.699	64%	0.636	S	S	*	*			trans	-68.6	62.3	156.4	51.2	0	0	0	0	106.8	V24 P28	V24-S26 PolarHBondContact O-N 2.96Å; S26-P28 VanDerWaalsContact O-CD 3.26Å; S26-P28 WeakPolarHBondContact O-CD 3.13Å
27	R	42.1	Very low	51.1	Low	206 Å²	206	106.4 Å²	106.4	78%	0.777	62%	0.618	S	S	*	*			trans	-60.9	118.6	158.8	-100.8	175.4	-179.3	-164.3	0.1	103.8	V25 T29	V25-R27 HydrophobicContact CG1-CB 3.76Å; V25-R27 HydrophobicContact CG1-CG 3.46Å; V25-R27 VanDerWaalsContact CG1-CG 3.46Å; V25-R27 PolarHBondContact O-N 3.33Å; R27-T29 PolarHBondContact O-N 2.85Å
28	P	46.1	Very low	52.9	Low	85 Å²	85	101.8 Å²	101.8	55%	0.552	59%	0.586	S	S	*	*			trans	-59.5	115.9	176.6	23.3	-30.9	0	0	0	107.1	S26 N30	S26-P28 VanDerWaalsContact O-CD 3.26Å; S26-P28 WeakPolarHBondContact O-CD 3.13Å; P28-N30 PolarHBondContact O-N 3.2Å
29	T	46.3	Very low	54.8	Low	106 Å²	106	99.6 Å²	99.6	65%	0.65	57%	0.574	S	S	*	*	S	Bend	trans	-64.9	103.8	168.3	46.5	0	0	0	0	106.6	R27	R27-T29 PolarHBondContact O-N 2.85Å
30	N	45.3	Very low	56.6	Low	97 Å²	97	97.7 Å²	97.7	52%	0.519	56%	0.559	S	S	.	*			trans	77	105.3	172.5	-153.9	-1.7	0	0	0	117	P28 T32	P28-N30 PolarHBondContact O-N 3.2Å; N30-T32 PolarHBondContact ND2-OG1 3.06Å; N30-T32 PolarHBondContact O-N 3.11Å; N30-T32 WeakPolarHBondContact OD1-CB 3.33Å; N30-T32 WeakPolarHBondContact OD1-CG2 3.43Å; N30-T32 PolarHBondContact OD1-N 3.38Å; N30-T32 PolarHBondContact OD1-OG1 2.97Å
31	P	52.5	Low	58.6	Low	116 Å²	116	98.8 Å²	98.8	75%	0.753	55%	0.549	S	S	*	.	S	Bend	trans	-74.4	7	173.9	31.8	-35.1	0	0	0	114.3	N33	P31-N33 PolarHBondContact O-N 3.24Å; P31-N33 VanDerWaalsContact O-N 3.11Å
32	T	51.9	Low	60.3	Low	111 Å²	111	95.8 Å²	95.8	68%	0.681	53%	0.527	S	S	*	.			trans	-77.5	8.9	-171.7	57.9	0	0	0	0	115.4	N30	N30-T32 PolarHBondContact ND2-OG1 3.06Å; N30-T32 PolarHBondContact O-N 3.11Å; N30-T32 WeakPolarHBondContact OD1-CB 3.33Å; N30-T32 WeakPolarHBondContact OD1-CG2 3.43Å; N30-T32 PolarHBondContact OD1-N 3.38Å; N30-T32 PolarHBondContact OD1-OG1 2.97Å
33	N	58.7	Low	62.2	Low	87 Å²	87	86 Å²	86	47%	0.465	49%	0.49	S	S	.	.			trans	-135	119.1	174.2	-143.9	-24.3	0	0	0	110.8	P31 L35	P31-N33 PolarHBondContact O-N 3.24Å; P31-N33 VanDerWaalsContact O-N 3.11Å; N33-L35 HydrophobicContact CB-CB 4.28Å; N33-L35 HydrophobicContact CB-CD1 4.38Å; N33-L35 WeakPolarHBondContact ND2-CD1 3.36Å; N33-L35 PolarHBondContact O-N 3.31Å; N33-L35 WeakPolarHBondContact OD1-CD1 3.48Å; N33-L35 WeakPolarHBondContact OD1-CG 3.36Å
34	N	66.3	Low	64.2	Low	177 Å²	177	86.3 Å²	86.3	95%	0.947	48%	0.476	S	S	*	.			trans	-67.5	17.1	173	-67.5	-32.4	0	0	0	112.7
35	L	73.9	Confident	65.5	Low	37 Å²	37	80.6 Å²	80.6	19%	0.194	44%	0.44	C	S	.	.	S	Bend	trans	-83	148.5	179.6	-76.9	168.8	0	0	0	109.6	N33 Q37 E45	N33-L35 HydrophobicContact CB-CB 4.28Å; N33-L35 HydrophobicContact CB-CD1 4.38Å; N33-L35 WeakPolarHBondContact ND2-CD1 3.36Å; N33-L35 PolarHBondContact O-N 3.31Å; N33-L35 WeakPolarHBondContact OD1-CD1 3.48Å; N33-L35 WeakPolarHBondContact OD1-CG 3.36Å; L35-Q37 PolarHBondContact O-N 2.76Å; L35-E45 HydrophobicContact CB-CB 4.15Å; L35-E45 WeakPolarHBondContact CD1-O 3.47Å; L35-E45 HydrophobicContact CD2-CB 3.99Å; L35-E45 HydrophobicContact CG-CB 4.45Å
36	W	77.5	Confident	66.9	Low	41 Å²	41	79.4 Å²	79.4	16%	0.155	43%	0.433	C	S	.	.			trans	-70.6	135.8	179.4	176.7	62.7	0	0	0	110.3	D38 E45 M50 R71 Y72 K75	W36-D38 HydrophobicContact CH2-CB 3.93Å; W36-D38 WeakPolarHBondContact CH2-OD1 3.1Å; W36-D38 HydrophobicContact CZ2-CB 4.38Å; W36-D38 WeakPolarHBondContact CZ2-OD1 3.05Å; W36-D38 HydrophobicContact CZ3-CB 4.15Å; W36-E45 HydrophobicContact CE3-CG 4.46Å; W36-E45 VanDerWaalsContact CE3-OE1 3.3Å; W36-E45 PolarHBondContact O-N 3.32Å; W36-M50 HydrophobicContact CE3-CE 3.8Å; W36-M50 HydrophobicContact CZ3-CE 3.45Å; W36-M50 VanDerWaalsContact CZ3-CE 3.45Å; W36-R71 HydrophobicContact CH2-CB 4.24Å; W36-Y72 HydrophobicContact CE3-CD2 4.05Å; W36-Y72 HydrophobicContact CZ3-CD2 4.18Å; W36-K75 VanDerWaalsContact CD1-CE 3.46Å; W36-K75 HydrophobicContact CD2-CD 4.03Å; W36-K75 HydrophobicContact CG-CD 4.16Å; W36-K75 HydrophobicContact CZ2-CD 4.24Å
37	Q	82.2	Confident	67.9	Low	58 Å²	58	79 Å²	79	27%	0.271	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-104.9	133.6	171.2	-167.8	-178.4	15.5	0	0	109.6	L35 G42 Y43 F44	L35-Q37 PolarHBondContact O-N 2.76Å; Q37-G42 PolarHBondContact NE2-O 3.2Å; Q37-Y43 WeakPolarHBondContact CA-O 3.46Å; Q37-F44 HydrophobicContact CB-CD1 3.96Å; Q37-F44 HydrophobicContact CB-CE1 3.77Å; Q37-F44 HydrophobicContact CB-CZ 4.31Å; Q37-F44 HydrophobicContact CG-CD1 3.97Å; Q37-F44 HydrophobicContact CG-CD2 4.27Å; Q37-F44 HydrophobicContact CG-CE1 3.75Å; Q37-F44 HydrophobicContact CG-CE2 4.08Å; Q37-F44 HydrophobicContact CG-CG 4.24Å; Q37-F44 HydrophobicContact CG-CZ 3.82Å
38	D	82.4	Confident	69.1	Low	0 Å²	0	71.2 Å²	71.2	0%	0	40%	0.404	C	S	.	.			trans	-73.7	121.5	177.8	-156.2	15.5	0	0	0	110.1	W36 I40 G42 Y43 V68 R71	W36-D38 HydrophobicContact CH2-CB 3.93Å; W36-D38 WeakPolarHBondContact CH2-OD1 3.1Å; W36-D38 HydrophobicContact CZ2-CB 4.38Å; W36-D38 WeakPolarHBondContact CZ2-OD1 3.05Å; W36-D38 HydrophobicContact CZ3-CB 4.15Å; D38-I40 VanDerWaalsContact C-N 3.28Å; D38-I40 PolarHBondContact O-N 3.08Å; D38-G42 WeakPolarHBondContact O-CA 3.18Å; D38-G42 PolarHBondContact O-N 3.35Å; D38-Y43 PolarHBondContact N-O 3.12Å; D38-V68 WeakPolarHBondContact OD2-CB 3.26Å; D38-V68 WeakPolarHBondContact OD2-CG1 3.49Å; D38-V68 WeakPolarHBondContact OD2-CG2 3.46Å; D38-R71 IonicContact OD1-CZ 3.9Å; D38-R71 IonicContact OD1-NE 2.67Å; D38-R71 PolarHBondContact OD1-NE 2.83Å; D38-R71 IonicContact OD1-NH2 3.57Å; D38-R71 IonicContact OD2-CZ 3.6Å; D38-R71 IonicContact OD2-NE 2.8Å; D38-R71 PolarHBondContact OD2-NE 3.4Å; D38-R71 IonicContact OD2-NH2 3.64Å; D38-R71 PolarHBondContact OD2-NH2 2.9Å
39	P	80.6	Confident	70.2	Confident	77 Å²	77	75.6 Å²	75.6	50%	0.5	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.2	-168.3	24.2	-34.4	0	0	0	114.7
40	I	81.8	Confident	71.6	Confident	80 Å²	80	70.8 Å²	70.8	41%	0.41	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-49.6	-175.8	-57.4	-173.9	0	0	0	111.7	D38 N114	D38-I40 VanDerWaalsContact C-N 3.28Å; D38-I40 PolarHBondContact O-N 3.08Å; I40-N114 HydrophobicContact CD1-CB 4.24Å; I40-N114 WeakPolarHBondContact CG1-OD1 2.97Å
41	Y	84.1	Confident	73.2	Confident	93 Å²	93	71.9 Å²	71.9	37%	0.365	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-5.4	-175.5	-56	-55.4	0	0	0	113.3	Y43 L60 Q64 A67 V68	Y41-Y43 PolarHBondContact O-N 3.13Å; Y41-L60 HydrophobicContact CD2-CD2 4.03Å; Y41-L60 HydrophobicContact CG-CD2 3.89Å; Y41-Q64 HydrophobicContact CD1-CG 4.45Å; Y41-Q64 HydrophobicContact CD2-CB 4.2Å; Y41-Q64 HydrophobicContact CE1-CB 4.43Å; Y41-Q64 HydrophobicContact CE1-CG 3.82Å; Y41-Q64 HydrophobicContact CE2-CB 3.75Å; Y41-Q64 HydrophobicContact CE2-CG 3.95Å; Y41-A67 HydrophobicContact CE2-CB 4.35Å; Y41-V68 HydrophobicContact CD2-CG2 3.67Å; Y41-V68 HydrophobicContact CE2-CG2 4.22Å
42	G	81.6	Confident	74.7	Confident	29 Å²	29	68.6 Å²	68.6	30%	0.299	36%	0.355	S	S	.	.			trans	67.3	12.4	-178.7	0	0	0	0	0	114	Q37 D38 F44	Q37-G42 PolarHBondContact NE2-O 3.2Å; D38-G42 WeakPolarHBondContact O-CA 3.18Å; D38-G42 PolarHBondContact O-N 3.35Å; G42-F44 WeakPolarHBondContact O-CD2 3.36Å
43	Y	80.8	Confident	76.1	Confident	20 Å²	20	67.9 Å²	67.9	8%	0.078	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-65.3	135.2	-179.9	177	-92.4	0	0	0	110.7	Q37 D38 Y41 M50 F52 Y58 L60 V68	Q37-Y43 WeakPolarHBondContact CA-O 3.46Å; D38-Y43 PolarHBondContact N-O 3.12Å; Y41-Y43 PolarHBondContact O-N 3.13Å; Y43-M50 HydrophobicContact CD1-CE 3.51Å; Y43-M50 HydrophobicContact CD1-SD 4.05Å; Y43-M50 HydrophobicContact CE1-CE 3.65Å; Y43-M50 HydrophobicContact CE1-SD 3.53Å; Y43-M50 VanDerWaalsContact CE1-SD 3.53Å; Y43-F52 HydrophobicContact CD2-CE1 4.37Å; Y43-F52 AromaticContact CE1-CE1 3.96Å; Y43-F52 HydrophobicContact CE1-CE1 3.96Å; Y43-F52 HydrophobicContact CE1-CZ 4.42Å; Y43-F52 AromaticContact CE2-CE1 3.79Å; Y43-F52 HydrophobicContact CE2-CE1 3.79Å; Y43-F52 AromaticContact CZ-CE1 3.53Å; Y43-Y58 AromaticContact CE2-CD1 3.46Å; Y43-Y58 HydrophobicContact CE2-CD1 3.46Å; Y43-Y58 VanDerWaalsContact CE2-CD1 3.46Å; Y43-Y58 HydrophobicContact CE2-CE1 4.12Å; Y43-Y58 AromaticContact CE2-CG 3.77Å; Y43-Y58 HydrophobicContact CE2-CG 3.77Å; Y43-Y58 WeakPolarHBondContact OH-CE1 3.39Å; Y43-L60 HydrophobicContact CD2-CD1 3.41Å; Y43-L60 VanDerWaalsContact CD2-CD1 3.41Å; Y43-L60 HydrophobicContact CE2-CD1 4.08Å; Y43-L60 HydrophobicContact CG-CD1 3.87Å; Y43-V68 HydrophobicContact CD1-CG1 4.29Å
44	F	78.8	Confident	77.1	Confident	63 Å²	63	70.1 Å²	70.1	28%	0.276	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-101.9	133.7	176.4	-75.4	-84	0	0	0	110.6	Q37 G42 T46	Q37-F44 HydrophobicContact CB-CD1 3.96Å; Q37-F44 HydrophobicContact CB-CE1 3.77Å; Q37-F44 HydrophobicContact CB-CZ 4.31Å; Q37-F44 HydrophobicContact CG-CD1 3.97Å; Q37-F44 HydrophobicContact CG-CD2 4.27Å; Q37-F44 HydrophobicContact CG-CE1 3.75Å; Q37-F44 HydrophobicContact CG-CE2 4.08Å; Q37-F44 HydrophobicContact CG-CG 4.24Å; Q37-F44 HydrophobicContact CG-CZ 3.82Å; G42-F44 WeakPolarHBondContact O-CD2 3.36Å; F44-T46 PolarHBondContact O-N 3.46Å
45	E	72.3	Confident	77.6	Confident	12 Å²	12	65.7 Å²	65.7	6%	0.056	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-60.6	135.4	164.5	-65.7	173.7	-179.4	0	0	109.8	L35 W36 M50 Y72	L35-E45 HydrophobicContact CB-CB 4.15Å; L35-E45 WeakPolarHBondContact CD1-O 3.47Å; L35-E45 HydrophobicContact CD2-CB 3.99Å; L35-E45 HydrophobicContact CG-CB 4.45Å; W36-E45 HydrophobicContact CE3-CG 4.46Å; W36-E45 VanDerWaalsContact CE3-OE1 3.3Å; W36-E45 PolarHBondContact O-N 3.32Å; E45-M50 HydrophobicContact CG-CE 3.86Å; E45-M50 HydrophobicContact CG-CG 3.68Å; E45-M50 HydrophobicContact CG-SD 3.78Å; E45-M50 WeakPolarHBondContact OE1-CG 3.4Å; E45-Y72 WeakPolarHBondContact OE1-CD2 3.42Å; E45-Y72 WeakPolarHBondContact OE1-CE2 3.5Å
46	T	72.3	Confident	77.8	Confident	72 Å²	72	67.6 Å²	67.6	44%	0.442	37%	0.366	S	S	.	.	S	Bend	trans	-102.7	-22.3	178	51.7	0	0	0	0	113	F44	F44-T46 PolarHBondContact O-N 3.46Å
47	H	67.5	Low	77.6	Confident	93 Å²	93	74.8 Å²	74.8	43%	0.431	40%	0.402	S	S	.	.	S	Bend	trans	-125.5	8.8	-166.7	-59	-42.3	0	0	0	114.7	R49 K53	H47-R49 PolarHBondContact O-N 2.91Å; H47-K53 PolarHBondContact CE1-NZ 2.83Å; H47-K53 WeakPolarHBondContact NE2-CE 3.15Å; H47-K53 PolarHBondContact NE2-NZ 3Å
48	G	68.4	Low	77.5	Confident	42 Å²	42	73.9 Å²	73.9	43%	0.433	40%	0.396	S	S	.	.	S	Bend	trans	71.3	-5.8	-176.3	0	0	0	0	0	115
49	R	68.3	Low	77.4	Confident	176 Å²	176	77.7 Å²	77.7	66%	0.664	44%	0.435	S	S	*	.	S	Bend	trans	-125.1	139.7	163.9	-61.3	-171.1	-174.7	-153.9	1.9	108.2	H47 E51	H47-R49 PolarHBondContact O-N 2.91Å; R49-E51 PolarHBondContact O-N 2.97Å
50	M	76.4	Confident	77.5	Confident	6 Å²	6	75.2 Å²	75.2	3%	0.03	42%	0.417	C	S	.	.			trans	-75	90.8	169.5	-91.5	-67.3	-153	0	0	110.3	W36 Y43 E45 V68 M69 Y72	W36-M50 HydrophobicContact CE3-CE 3.8Å; W36-M50 HydrophobicContact CZ3-CE 3.45Å; W36-M50 VanDerWaalsContact CZ3-CE 3.45Å; Y43-M50 HydrophobicContact CD1-CE 3.51Å; Y43-M50 HydrophobicContact CD1-SD 4.05Å; Y43-M50 HydrophobicContact CE1-CE 3.65Å; Y43-M50 HydrophobicContact CE1-SD 3.53Å; Y43-M50 VanDerWaalsContact CE1-SD 3.53Å; E45-M50 HydrophobicContact CG-CE 3.86Å; E45-M50 HydrophobicContact CG-CG 3.68Å; E45-M50 HydrophobicContact CG-SD 3.78Å; E45-M50 WeakPolarHBondContact OE1-CG 3.4Å; M50-V68 HydrophobicContact CE-CG1 3.17Å; M50-V68 HydrophobicContact SD-CG1 4.04Å; M50-M69 HydrophobicContact CB-SD 4.03Å; M50-M69 WeakPolarHBondContact O-CE 3.37Å; M50-Y72 HydrophobicContact CB-CD1 3.51Å; M50-Y72 HydrophobicContact CB-CD2 3.73Å; M50-Y72 HydrophobicContact CB-CE1 3.79Å; M50-Y72 HydrophobicContact CB-CE2 4.01Å; M50-Y72 HydrophobicContact CB-CG 3.46Å; M50-Y72 VanDerWaalsContact CB-CG 3.46Å; M50-Y72 HydrophobicContact CG-CD1 4.06Å; M50-Y72 HydrophobicContact CG-CD2 3.32Å; M50-Y72 HydrophobicContact CG-CE1 4.45Å; M50-Y72 HydrophobicContact CG-CE2 3.81Å; M50-Y72 HydrophobicContact CG-CG 3.45Å; M50-Y72 VanDerWaalsContact CG-CG 3.45Å
51	E	79.7	Confident	77.9	Confident	120 Å²	120	74 Å²	74	56%	0.561	42%	0.416	S	S	*	.			trans	-134.2	127	168.8	-66.7	177.5	-166.1	0	0	107.7	R49	R49-E51 PolarHBondContact O-N 2.97Å
52	F	82.4	Confident	78.1	Confident	46 Å²	46	77.5 Å²	77.5	20%	0.202	44%	0.436	C	S	.	.			trans	-84.1	113.3	172	-67.3	-64.5	0	0	0	108.3	Y43 Y58 L60 K65 V68 M69	Y43-F52 HydrophobicContact CD2-CE1 4.37Å; Y43-F52 AromaticContact CE1-CE1 3.96Å; Y43-F52 HydrophobicContact CE1-CE1 3.96Å; Y43-F52 HydrophobicContact CE1-CZ 4.42Å; Y43-F52 AromaticContact CE2-CE1 3.79Å; Y43-F52 HydrophobicContact CE2-CE1 3.79Å; Y43-F52 AromaticContact CZ-CE1 3.53Å; F52-Y58 HydrophobicContact CB-CE2 3.96Å; F52-Y58 AromaticContact CD1-CD2 3.45Å; F52-Y58 HydrophobicContact CD1-CD2 3.45Å; F52-Y58 VanDerWaalsContact CD1-CD2 3.45Å; F52-Y58 AromaticContact CD1-CE2 3.47Å; F52-Y58 HydrophobicContact CD1-CE2 3.47Å; F52-Y58 VanDerWaalsContact CD1-CE2 3.47Å; F52-Y58 HydrophobicContact CD1-CG 4.07Å; F52-Y58 HydrophobicContact CE1-CD2 4.07Å; F52-Y58 HydrophobicContact CE1-CE2 4.43Å; F52-Y58 HydrophobicContact CE1-CG 4.29Å; F52-Y58 HydrophobicContact CG-CD2 4.38Å; F52-Y58 HydrophobicContact CG-CE2 4.19Å; F52-L60 HydrophobicContact CE1-CD1 4.13Å; F52-L60 HydrophobicContact CZ-CD1 4.32Å; F52-K65 HydrophobicContact CD1-CD 4.42Å; F52-K65 HydrophobicContact CD1-CG 4.36Å; F52-K65 HydrophobicContact CD2-CB 3.82Å; F52-K65 HydrophobicContact CD2-CD 4.32Å; F52-K65 HydrophobicContact CD2-CG 4.09Å; F52-K65 HydrophobicContact CE1-CG 4.11Å; F52-K65 HydrophobicContact CE2-CB 3.5Å; F52-K65 VanDerWaalsContact CE2-CB 3.5Å; F52-K65 HydrophobicContact CE2-CG 3.85Å; F52-K65 WeakPolarHBondContact CE2-O 3.46Å; F52-K65 HydrophobicContact CG-CD 4.23Å; F52-K65 HydrophobicContact CG-CG 4.33Å; F52-K65 HydrophobicContact CZ-CB 3.95Å; F52-K65 HydrophobicContact CZ-CG 3.85Å; F52-V68 HydrophobicContact CE2-CB 4.36Å; F52-V68 HydrophobicContact CE2-CG1 4.47Å; F52-V68 HydrophobicContact CZ-CB 4.07Å; F52-V68 HydrophobicContact CZ-CG1 3.97Å; F52-V68 HydrophobicContact CZ-CG2 4.44Å; F52-M69 HydrophobicContact CD2-CG 3.93Å; F52-M69 HydrophobicContact CD2-SD 3.97Å; F52-M69 HydrophobicContact CE2-CG 3.71Å; F52-M69 HydrophobicContact CE2-SD 3.89Å
53	K	81.9	Confident	78.4	Confident	97 Å²	97	84 Å²	84	42%	0.422	46%	0.458	S	S	.	.			trans	-71.9	139.3	175.4	-74.3	177	177.4	164.4	0	110.2	H47 G55 E56 Y58	H47-K53 PolarHBondContact CE1-NZ 2.83Å; H47-K53 WeakPolarHBondContact NE2-CE 3.15Å; H47-K53 PolarHBondContact NE2-NZ 3Å; K53-G55 PolarHBondContact O-N 3.47Å; K53-E56 HydrophobicContact CB-CG 4.48Å; K53-E56 PolarHBondContact O-N 2.58Å; K53-Y58 PolarHBondContact N-OH 3.37Å
54	P	80.2	Confident	78.8	Confident	134 Å²	134	85.8 Å²	85.8	87%	0.87	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	128.2	171.9	27.9	-32.7	0	0	0	109.1
55	G	76.7	Confident	79.2	Confident	84 Å²	84	85.5 Å²	85.5	87%	0.866	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.2	-9.6	177.7	0	0	0	0	0	116	K53	K53-G55 PolarHBondContact O-N 3.47Å
56	E	77.1	Confident	80.1	Confident	76 Å²	76	91.5 Å²	91.5	36%	0.355	49%	0.492	S	S	.	.			trans	-88.4	123.6	169.8	-75.1	-179.7	-164.2	0	0	110.4	K53 Y58	K53-E56 HydrophobicContact CB-CG 4.48Å; K53-E56 PolarHBondContact O-N 2.58Å; E56-Y58 HydrophobicContact CB-CD2 4.39Å; E56-Y58 HydrophobicContact CB-CE1 3.9Å; E56-Y58 HydrophobicContact CB-CE2 3.7Å; E56-Y58 VanDerWaalsContact CB-CZ 3.45Å; E56-Y58 WeakPolarHBondContact CB-OH 3.26Å; E56-Y58 VanDerWaalsContact O-CD2 3.28Å; E56-Y58 WeakPolarHBondContact O-CD2 3.36Å; E56-Y58 WeakPolarHBondContact O-CE2 3.38Å; E56-Y58 PolarHBondContact O-N 2.94Å; E56-Y58 VanDerWaalsContact OE2-CE1 3.29Å; E56-Y58 WeakPolarHBondContact OE2-CE1 3.43Å; E56-Y58 PolarHBondContact OE2-OH 3.47Å
57	E	74.9	Confident	80.9	Confident	193 Å²	193	89.2 Å²	89.2	90%	0.902	48%	0.48	S	S	*	.			trans	-82.8	104.2	173.8	-69.7	-170.1	174.5	0	0	110.1
58	Y	78.7	Confident	81.8	Confident	39 Å²	39	84.8 Å²	84.8	15%	0.153	46%	0.459	C	S	.	.			trans	-91.8	3.3	177.9	-57.4	-70.3	0	0	0	114	Y43 F52 K53 E56 L60	Y43-Y58 AromaticContact CE2-CD1 3.46Å; Y43-Y58 HydrophobicContact CE2-CD1 3.46Å; Y43-Y58 VanDerWaalsContact CE2-CD1 3.46Å; Y43-Y58 HydrophobicContact CE2-CE1 4.12Å; Y43-Y58 AromaticContact CE2-CG 3.77Å; Y43-Y58 HydrophobicContact CE2-CG 3.77Å; Y43-Y58 WeakPolarHBondContact OH-CE1 3.39Å; F52-Y58 HydrophobicContact CB-CE2 3.96Å; F52-Y58 AromaticContact CD1-CD2 3.45Å; F52-Y58 HydrophobicContact CD1-CD2 3.45Å; F52-Y58 VanDerWaalsContact CD1-CD2 3.45Å; F52-Y58 AromaticContact CD1-CE2 3.47Å; F52-Y58 HydrophobicContact CD1-CE2 3.47Å; F52-Y58 VanDerWaalsContact CD1-CE2 3.47Å; F52-Y58 HydrophobicContact CD1-CG 4.07Å; F52-Y58 HydrophobicContact CE1-CD2 4.07Å; F52-Y58 HydrophobicContact CE1-CE2 4.43Å; F52-Y58 HydrophobicContact CE1-CG 4.29Å; F52-Y58 HydrophobicContact CG-CD2 4.38Å; F52-Y58 HydrophobicContact CG-CE2 4.19Å; K53-Y58 PolarHBondContact N-OH 3.37Å; E56-Y58 HydrophobicContact CB-CD2 4.39Å; E56-Y58 HydrophobicContact CB-CE1 3.9Å; E56-Y58 HydrophobicContact CB-CE2 3.7Å; E56-Y58 VanDerWaalsContact CB-CZ 3.45Å; E56-Y58 WeakPolarHBondContact CB-OH 3.26Å; E56-Y58 VanDerWaalsContact O-CD2 3.28Å; E56-Y58 WeakPolarHBondContact O-CD2 3.36Å; E56-Y58 WeakPolarHBondContact O-CE2 3.38Å; E56-Y58 PolarHBondContact O-N 2.94Å; E56-Y58 VanDerWaalsContact OE2-CE1 3.29Å; E56-Y58 WeakPolarHBondContact OE2-CE1 3.43Å; E56-Y58 PolarHBondContact OE2-OH 3.47Å; Y58-L60 PolarHBondContact O-N 3.05Å
59	G	81.6	Confident	82.8	Confident	79 Å²	79	84.5 Å²	84.5	81%	0.814	45%	0.448	S	S	*	.	S	Bend	trans	65.6	17.8	-175.2	0	0	0	0	0	114.8
60	L	82.9	Confident	83.8	Confident	25 Å²	25	79.4 Å²	79.4	13%	0.131	43%	0.431	C	S	.	.			trans	-112.8	138.9	-178.5	-71.7	150.9	0	0	0	110.8	Y41 Y43 F52 Y58 Q64 K65	Y41-L60 HydrophobicContact CD2-CD2 4.03Å; Y41-L60 HydrophobicContact CG-CD2 3.89Å; Y43-L60 HydrophobicContact CD2-CD1 3.41Å; Y43-L60 VanDerWaalsContact CD2-CD1 3.41Å; Y43-L60 HydrophobicContact CE2-CD1 4.08Å; Y43-L60 HydrophobicContact CG-CD1 3.87Å; F52-L60 HydrophobicContact CE1-CD1 4.13Å; F52-L60 HydrophobicContact CZ-CD1 4.32Å; Y58-L60 PolarHBondContact O-N 3.05Å; L60-Q64 HydrophobicContact CB-CB 4.28Å; L60-Q64 HydrophobicContact CD2-CB 3.77Å; L60-K65 HydrophobicContact CB-CG 3.78Å; L60-K65 WeakPolarHBondContact O-CE 3.17Å
61	S	89	Confident	84.4	Confident	54 Å²	54	80.1 Å²	80.1	38%	0.378	43%	0.434	S	S	.	.			trans	-67.1	159.3	168.7	77.7	0	0	0	0	111.2	E63 Q64 K65	S61-E63 PolarHBondContact O-N 2.92Å; S61-Q64 WeakPolarHBondContact O-CB 3.44Å; S61-Q64 PolarHBondContact O-N 2.83Å; S61-Q64 VanDerWaalsContact O-N 3.08Å; S61-Q64 WeakPolarHBondContact OG-CG 3.41Å; S61-Q64 PolarHBondContact OG-N 2.81Å; S61-K65 WeakPolarHBondContact O-CG 2.99Å; S61-K65 PolarHBondContact O-N 2.97Å
62	E	88.1	Confident	84.7	Confident	168 Å²	168	77.3 Å²	77.3	79%	0.785	42%	0.418	S	S	*	.	H	α-helix	trans	-59.1	-37	179.3	-64.4	-174.9	172.7	0	0	112.6	K65 K66	E62-K65 PolarHBondContact O-N 3.39Å; E62-K66 PolarHBondContact O-N 3.28Å
63	E	89.4	Confident	85	Confident	164 Å²	164	82.7 Å²	82.7	77%	0.766	44%	0.437	S	S	*	.	H	α-helix	trans	-64.9	-41.5	175	-62	-174.3	165.5	0	0	111.8	S61 K66 A67	S61-E63 PolarHBondContact O-N 2.92Å; E63-K66 PolarHBondContact O-N 3.38Å; E63-A67 WeakPolarHBondContact O-CB 3.29Å; E63-A67 PolarHBondContact O-N 3.36Å
64	Q	88.1	Confident	85.3	Confident	59 Å²	59	82.5 Å²	82.5	28%	0.276	43%	0.434	S	S	.	.	H	α-helix	trans	-65.9	-43.7	176.5	-67.6	172.8	-18.4	0	0	110.8	Y41 L60 S61 K66 A67 V68	Y41-Q64 HydrophobicContact CD1-CG 4.45Å; Y41-Q64 HydrophobicContact CD2-CB 4.2Å; Y41-Q64 HydrophobicContact CE1-CB 4.43Å; Y41-Q64 HydrophobicContact CE1-CG 3.82Å; Y41-Q64 HydrophobicContact CE2-CB 3.75Å; Y41-Q64 HydrophobicContact CE2-CG 3.95Å; L60-Q64 HydrophobicContact CB-CB 4.28Å; L60-Q64 HydrophobicContact CD2-CB 3.77Å; S61-Q64 WeakPolarHBondContact O-CB 3.44Å; S61-Q64 PolarHBondContact O-N 2.83Å; S61-Q64 VanDerWaalsContact O-N 3.08Å; S61-Q64 WeakPolarHBondContact OG-CG 3.41Å; S61-Q64 PolarHBondContact OG-N 2.81Å; Q64-K66 VanDerWaalsContact C-N 3.34Å; Q64-K66 PolarHBondContact O-N 3.47Å; Q64-A67 PolarHBondContact O-N 3.24Å; Q64-A67 VanDerWaalsContact O-N 3.17Å; Q64-V68 WeakPolarHBondContact O-CG2 3.43Å; Q64-V68 PolarHBondContact O-N 3.14Å
65	K	88.4	Confident	85.6	Confident	56 Å²	56	77.5 Å²	77.5	24%	0.243	40%	0.398	C	S	.	.	H	α-helix	trans	-56	-47.8	173.2	-70.7	-179.7	-175.7	179.4	0	110.9	F52 L60 S61 E62 A67 V68 M69	F52-K65 HydrophobicContact CD1-CD 4.42Å; F52-K65 HydrophobicContact CD1-CG 4.36Å; F52-K65 HydrophobicContact CD2-CB 3.82Å; F52-K65 HydrophobicContact CD2-CD 4.32Å; F52-K65 HydrophobicContact CD2-CG 4.09Å; F52-K65 HydrophobicContact CE1-CG 4.11Å; F52-K65 HydrophobicContact CE2-CB 3.5Å; F52-K65 VanDerWaalsContact CE2-CB 3.5Å; F52-K65 HydrophobicContact CE2-CG 3.85Å; F52-K65 WeakPolarHBondContact CE2-O 3.46Å; F52-K65 HydrophobicContact CG-CD 4.23Å; F52-K65 HydrophobicContact CG-CG 4.33Å; F52-K65 HydrophobicContact CZ-CB 3.95Å; F52-K65 HydrophobicContact CZ-CG 3.85Å; L60-K65 HydrophobicContact CB-CG 3.78Å; L60-K65 WeakPolarHBondContact O-CE 3.17Å; S61-K65 WeakPolarHBondContact O-CG 2.99Å; S61-K65 PolarHBondContact O-N 2.97Å; E62-K65 PolarHBondContact O-N 3.39Å; K65-A67 VanDerWaalsContact C-N 3.34Å; K65-A67 PolarHBondContact O-N 3.47Å; K65-V68 WeakPolarHBondContact O-CB 3.46Å; K65-V68 PolarHBondContact O-N 2.97Å; K65-M69 WeakPolarHBondContact O-CG 3.04Å; K65-M69 PolarHBondContact O-N 3.06Å
66	K	90.3	Very high	86.2	Confident	138 Å²	138	75.7 Å²	75.7	60%	0.6	38%	0.375	S	S	*	.	H	α-helix	trans	-59.2	-44.6	176.2	-174.8	-179.6	175.8	-176.6	0	112	E62 E63 Q64 V68 M69 E70	E62-K66 PolarHBondContact O-N 3.28Å; E63-K66 PolarHBondContact O-N 3.38Å; Q64-K66 VanDerWaalsContact C-N 3.34Å; Q64-K66 PolarHBondContact O-N 3.47Å; K66-V68 PolarHBondContact O-N 3.46Å; K66-M69 PolarHBondContact O-N 3.27Å; K66-E70 WeakPolarHBondContact CE-OE1 3.22Å; K66-E70 WeakPolarHBondContact O-CG 3.36Å; K66-E70 PolarHBondContact O-N 3.46Å
67	A	88.2	Confident	86.8	Confident	24 Å²	24	77.3 Å²	77.3	20%	0.198	38%	0.384	C	S	.	.	H	α-helix	trans	-63.9	-39	178.8	0	0	0	0	0	112.9	Y41 E63 Q64 K65 E70 R71	Y41-A67 HydrophobicContact CE2-CB 4.35Å; E63-A67 WeakPolarHBondContact O-CB 3.29Å; E63-A67 PolarHBondContact O-N 3.36Å; Q64-A67 PolarHBondContact O-N 3.24Å; Q64-A67 VanDerWaalsContact O-N 3.17Å; K65-A67 VanDerWaalsContact C-N 3.34Å; K65-A67 PolarHBondContact O-N 3.47Å; A67-E70 PolarHBondContact O-N 3.35Å; A67-R71 PolarHBondContact O-N 2.8Å; A67-R71 VanDerWaalsContact O-N 3.09Å
68	V	87.9	Confident	87.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-59.9	-49.9	173.1	176.4	0	0	0	0	110	D38 Y41 Y43 M50 F52 Q64 K65 K66 E70 R71 Y72	D38-V68 WeakPolarHBondContact OD2-CB 3.26Å; D38-V68 WeakPolarHBondContact OD2-CG1 3.49Å; D38-V68 WeakPolarHBondContact OD2-CG2 3.46Å; Y41-V68 HydrophobicContact CD2-CG2 3.67Å; Y41-V68 HydrophobicContact CE2-CG2 4.22Å; Y43-V68 HydrophobicContact CD1-CG1 4.29Å; M50-V68 HydrophobicContact CE-CG1 3.17Å; M50-V68 HydrophobicContact SD-CG1 4.04Å; F52-V68 HydrophobicContact CE2-CB 4.36Å; F52-V68 HydrophobicContact CE2-CG1 4.47Å; F52-V68 HydrophobicContact CZ-CB 4.07Å; F52-V68 HydrophobicContact CZ-CG1 3.97Å; F52-V68 HydrophobicContact CZ-CG2 4.44Å; Q64-V68 WeakPolarHBondContact O-CG2 3.43Å; Q64-V68 PolarHBondContact O-N 3.14Å; K65-V68 WeakPolarHBondContact O-CB 3.46Å; K65-V68 PolarHBondContact O-N 2.97Å; K66-V68 PolarHBondContact O-N 3.46Å; V68-E70 VanDerWaalsContact C-N 3.31Å; V68-E70 PolarHBondContact O-N 3.29Å; V68-R71 PolarHBondContact O-N 2.93Å; V68-Y72 PolarHBondContact O-N 3.18Å
69	M	89.6	Confident	88	Confident	37 Å²	37	72.5 Å²	72.5	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-60.2	-40.3	178.6	-70.6	-55.4	-71.9	0	0	112.4	M50 F52 K65 K66 Y72 R73	M50-M69 HydrophobicContact CB-SD 4.03Å; M50-M69 WeakPolarHBondContact O-CE 3.37Å; F52-M69 HydrophobicContact CD2-CG 3.93Å; F52-M69 HydrophobicContact CD2-SD 3.97Å; F52-M69 HydrophobicContact CE2-CG 3.71Å; F52-M69 HydrophobicContact CE2-SD 3.89Å; K65-M69 WeakPolarHBondContact O-CG 3.04Å; K65-M69 PolarHBondContact O-N 3.06Å; K66-M69 PolarHBondContact O-N 3.27Å; M69-Y72 PolarHBondContact O-N 3.18Å; M69-R73 WeakPolarHBondContact O-CB 3.48Å; M69-R73 VanDerWaalsContact O-CG 3.22Å; M69-R73 WeakPolarHBondContact O-CG 3.28Å; M69-R73 PolarHBondContact O-N 3.35Å
70	E	89.1	Confident	88.4	Confident	68 Å²	68	76.2 Å²	76.2	32%	0.318	35%	0.351	S	S	.	.	H	α-helix	trans	-63.7	-44.1	176.9	-76	-178.5	-166.9	0	0	112.3	K66 A67 V68 R73 R74	K66-E70 WeakPolarHBondContact CE-OE1 3.22Å; K66-E70 WeakPolarHBondContact O-CG 3.36Å; K66-E70 PolarHBondContact O-N 3.46Å; A67-E70 PolarHBondContact O-N 3.35Å; V68-E70 VanDerWaalsContact C-N 3.31Å; V68-E70 PolarHBondContact O-N 3.29Å; E70-R73 PolarHBondContact O-N 3.48Å; E70-R74 VanDerWaalsContact O-CG 3.32Å; E70-R74 WeakPolarHBondContact O-CG 3.09Å; E70-R74 PolarHBondContact O-N 2.97Å; E70-R74 IonicContact OE2-NH2 3.67Å; E70-R74 PolarHBondContact OE2-NH2 3.38Å
71	R	87.3	Confident	88.7	Confident	22 Å²	22	78.5 Å²	78.5	8%	0.083	36%	0.361	C	S	.	.	H	α-helix	trans	-61.8	-44.5	175.6	-75.7	-172.2	-68.9	-88	4.6	111.5	W36 D38 A67 V68 R73 R74 K75	W36-R71 HydrophobicContact CH2-CB 4.24Å; D38-R71 IonicContact OD1-CZ 3.9Å; D38-R71 IonicContact OD1-NE 2.67Å; D38-R71 PolarHBondContact OD1-NE 2.83Å; D38-R71 IonicContact OD1-NH2 3.57Å; D38-R71 IonicContact OD2-CZ 3.6Å; D38-R71 IonicContact OD2-NE 2.8Å; D38-R71 PolarHBondContact OD2-NE 3.4Å; D38-R71 IonicContact OD2-NH2 3.64Å; D38-R71 PolarHBondContact OD2-NH2 2.9Å; A67-R71 PolarHBondContact O-N 2.8Å; A67-R71 VanDerWaalsContact O-N 3.09Å; V68-R71 PolarHBondContact O-N 2.93Å; R71-R73 PolarHBondContact O-N 3.34Å; R71-R74 PolarHBondContact O-N 3.45Å; R71-K75 WeakPolarHBondContact O-CB 3.37Å; R71-K75 PolarHBondContact O-N 3.45Å
72	Y	87	Confident	88.6	Confident	61 Å²	61	78.6 Å²	78.6	24%	0.239	35%	0.354	C	S	.	.	H	α-helix	trans	-61.4	-44.5	176.2	-178.4	-95.6	0	0	0	112.4	W36 E45 M50 V68 M69 R74 K75 A76	W36-Y72 HydrophobicContact CE3-CD2 4.05Å; W36-Y72 HydrophobicContact CZ3-CD2 4.18Å; E45-Y72 WeakPolarHBondContact OE1-CD2 3.42Å; E45-Y72 WeakPolarHBondContact OE1-CE2 3.5Å; M50-Y72 HydrophobicContact CB-CD1 3.51Å; M50-Y72 HydrophobicContact CB-CD2 3.73Å; M50-Y72 HydrophobicContact CB-CE1 3.79Å; M50-Y72 HydrophobicContact CB-CE2 4.01Å; M50-Y72 HydrophobicContact CB-CG 3.46Å; M50-Y72 VanDerWaalsContact CB-CG 3.46Å; M50-Y72 HydrophobicContact CG-CD1 4.06Å; M50-Y72 HydrophobicContact CG-CD2 3.32Å; M50-Y72 HydrophobicContact CG-CE1 4.45Å; M50-Y72 HydrophobicContact CG-CE2 3.81Å; M50-Y72 HydrophobicContact CG-CG 3.45Å; M50-Y72 VanDerWaalsContact CG-CG 3.45Å; V68-Y72 PolarHBondContact O-N 3.18Å; M69-Y72 PolarHBondContact O-N 3.18Å; Y72-R74 VanDerWaalsContact C-N 3.34Å; Y72-R74 PolarHBondContact O-N 2.86Å; Y72-K75 WeakPolarHBondContact O-CB 3.5Å; Y72-K75 PolarHBondContact O-N 3.39Å; Y72-A76 WeakPolarHBondContact O-CB 3.4Å; Y72-A76 PolarHBondContact O-N 3.07Å
73	R	89	Confident	88.5	Confident	158 Å²	158	74 Å²	74	60%	0.596	34%	0.335	S	S	*	.	H	α-helix	trans	-58.4	-45.6	176.1	-75.6	171.3	-178	179.1	1.3	111.7	M69 E70 R71 K75 A76 M77	M69-R73 WeakPolarHBondContact O-CB 3.48Å; M69-R73 VanDerWaalsContact O-CG 3.22Å; M69-R73 WeakPolarHBondContact O-CG 3.28Å; M69-R73 PolarHBondContact O-N 3.35Å; E70-R73 PolarHBondContact O-N 3.48Å; R71-R73 PolarHBondContact O-N 3.34Å; R73-K75 VanDerWaalsContact C-N 3.35Å; R73-K75 PolarHBondContact O-N 3.01Å; R73-A76 PolarHBondContact O-N 2.89Å; R73-M77 WeakPolarHBondContact O-CG 3.37Å; R73-M77 PolarHBondContact O-N 3.21Å
74	R	88.5	Confident	88.3	Confident	94 Å²	94	71.1 Å²	71.1	36%	0.355	32%	0.321	S	S	.	.	H	α-helix	trans	-59.9	-44.8	175.5	-71.5	177	-163.8	132.5	13.1	111.6	E70 R71 Y72 M77 L78 M110 E116	E70-R74 VanDerWaalsContact O-CG 3.32Å; E70-R74 WeakPolarHBondContact O-CG 3.09Å; E70-R74 PolarHBondContact O-N 2.97Å; E70-R74 IonicContact OE2-NH2 3.67Å; E70-R74 PolarHBondContact OE2-NH2 3.38Å; R71-R74 PolarHBondContact O-N 3.45Å; Y72-R74 VanDerWaalsContact C-N 3.34Å; Y72-R74 PolarHBondContact O-N 2.86Å; R74-M77 WeakPolarHBondContact O-CB 3Å; R74-M77 PolarHBondContact O-N 2.91Å; R74-L78 WeakPolarHBondContact O-CG 3.37Å; R74-L78 PolarHBondContact O-N 3.2Å; R74-M110 HydrophobicContact CB-CE 3.92Å; R74-E116 WeakPolarHBondContact CB-OE1 3.39Å; R74-E116 WeakPolarHBondContact CD-OE1 3.31Å; R74-E116 WeakPolarHBondContact CG-OE1 3.31Å
75	K	86.8	Confident	88	Confident	28 Å²	28	70 Å²	70	12%	0.122	32%	0.317	C	S	.	.	H	α-helix	trans	-59.7	-48.3	176.2	-169.5	178.2	169.2	110.6	0	111.4	W36 R71 Y72 R73 M77 L78 K79 W107 M110 E111	W36-K75 VanDerWaalsContact CD1-CE 3.46Å; W36-K75 HydrophobicContact CD2-CD 4.03Å; W36-K75 HydrophobicContact CG-CD 4.16Å; W36-K75 HydrophobicContact CZ2-CD 4.24Å; R71-K75 WeakPolarHBondContact O-CB 3.37Å; R71-K75 PolarHBondContact O-N 3.45Å; Y72-K75 WeakPolarHBondContact O-CB 3.5Å; Y72-K75 PolarHBondContact O-N 3.39Å; R73-K75 VanDerWaalsContact C-N 3.35Å; R73-K75 PolarHBondContact O-N 3.01Å; K75-M77 VanDerWaalsContact C-N 3.32Å; K75-M77 PolarHBondContact O-N 3.46Å; K75-L78 PolarHBondContact O-N 3.44Å; K75-K79 WeakPolarHBondContact O-CB 3.32Å; K75-K79 PolarHBondContact O-N 3.19Å; K75-W107 HydrophobicContact CB-CH2 4.44Å; K75-W107 HydrophobicContact CB-CZ3 4.22Å; K75-W107 HydrophobicContact CD-CH2 3.76Å; K75-W107 HydrophobicContact CD-CZ2 3.99Å; K75-W107 HydrophobicContact CD-CZ3 4.36Å; K75-W107 HydrophobicContact CG-CE3 4.03Å; K75-W107 HydrophobicContact CG-CH2 3.1Å; K75-W107 HydrophobicContact CG-CZ2 3.73Å; K75-W107 HydrophobicContact CG-CZ3 3.24Å; K75-W107 VanDerWaalsContact O-CZ3 3.26Å; K75-W107 WeakPolarHBondContact O-CZ3 3.47Å; K75-M110 HydrophobicContact CB-CE 4.32Å; K75-E111 IonicContact NZ-OE1 3.44Å
76	A	88.3	Confident	87.6	Confident	46 Å²	46	70.1 Å²	70.1	38%	0.38	32%	0.318	S	S	.	.	H	α-helix	trans	-59.5	-41.6	176.3	0	0	0	0	0	112.4	Y72 R73 K79 R80	Y72-A76 WeakPolarHBondContact O-CB 3.4Å; Y72-A76 PolarHBondContact O-N 3.07Å; R73-A76 PolarHBondContact O-N 2.89Å; A76-K79 PolarHBondContact O-N 3.43Å; A76-R80 WeakPolarHBondContact O-CB 3.22Å; A76-R80 PolarHBondContact O-N 3Å
77	M	90.7	Very high	87.2	Confident	111 Å²	111	71.8 Å²	71.8	55%	0.547	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-45.6	176.1	-73.9	-67.2	-68.9	0	0	112.5	R73 R74 K75 R80 Q81	R73-M77 WeakPolarHBondContact O-CG 3.37Å; R73-M77 PolarHBondContact O-N 3.21Å; R74-M77 WeakPolarHBondContact O-CB 3Å; R74-M77 PolarHBondContact O-N 2.91Å; K75-M77 VanDerWaalsContact C-N 3.32Å; K75-M77 PolarHBondContact O-N 3.46Å; M77-R80 PolarHBondContact O-N 2.99Å; M77-Q81 WeakPolarHBondContact O-CG 3.4Å; M77-Q81 PolarHBondContact O-N 3.5Å
78	L	89.7	Confident	86.9	Confident	5 Å²	5	73.2 Å²	73.2	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-66.9	-39.2	178.1	-69.5	175.7	0	0	0	112.1	R74 K75 R80 Q81 F82 R106 W107 M110	R74-L78 WeakPolarHBondContact O-CG 3.37Å; R74-L78 PolarHBondContact O-N 3.2Å; K75-L78 PolarHBondContact O-N 3.44Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 3.48Å; L78-Q81 PolarHBondContact O-N 2.92Å; L78-F82 PolarHBondContact O-N 3.36Å; L78-R106 HydrophobicContact CD1-CB 4.15Å; L78-R106 HydrophobicContact CD2-CB 3.96Å; L78-W107 HydrophobicContact CB-CE3 3.92Å; L78-W107 HydrophobicContact CB-CZ3 4.47Å; L78-W107 HydrophobicContact CD1-CB 4.43Å; L78-W107 HydrophobicContact CD1-CE3 4.48Å; L78-M110 HydrophobicContact CD1-CE 3.45Å; L78-M110 VanDerWaalsContact CD1-CE 3.45Å
79	K	88	Confident	86.4	Confident	125 Å²	125	77.3 Å²	77.3	54%	0.543	35%	0.352	S	S	.	.	H	α-helix	trans	-60.8	-42.8	174.4	-171.8	176.4	-178.8	178.6	0	111.1	K75 A76 F82 L83 W107	K75-K79 WeakPolarHBondContact O-CB 3.32Å; K75-K79 PolarHBondContact O-N 3.19Å; A76-K79 PolarHBondContact O-N 3.43Å; K79-F82 PolarHBondContact O-N 3.3Å; K79-L83 HydrophobicContact CG-CD1 4.36Å; K79-L83 WeakPolarHBondContact O-CG 3.45Å; K79-L83 PolarHBondContact O-N 3.12Å; K79-W107 HydrophobicContact CB-CZ3 4.01Å
80	R	90.3	Very high	85.9	Confident	158 Å²	158	83.6 Å²	83.6	60%	0.596	38%	0.384	S	S	*	.	H	α-helix	trans	-60.2	-47.2	175.9	179.1	179	173	166.1	3.6	111.5	A76 M77 L78 F82 L83 E84	A76-R80 WeakPolarHBondContact O-CB 3.22Å; A76-R80 PolarHBondContact O-N 3Å; M77-R80 PolarHBondContact O-N 2.99Å; L78-R80 VanDerWaalsContact C-N 3.31Å; L78-R80 PolarHBondContact O-N 3.48Å; R80-F82 VanDerWaalsContact C-N 3.29Å; R80-F82 PolarHBondContact O-N 2.91Å; R80-L83 PolarHBondContact O-N 2.97Å; R80-E84 HydrophobicContact CG-CG 4.45Å; R80-E84 WeakPolarHBondContact CG-OE1 3.35Å; R80-E84 IonicContact CZ-OE1 2.68Å; R80-E84 IonicContact NE-OE1 3.48Å; R80-E84 PolarHBondContact NE-OE1 2.91Å; R80-E84 IonicContact NH2-OE1 3.53Å; R80-E84 WeakPolarHBondContact O-CG 3.5Å; R80-E84 PolarHBondContact O-N 2.76Å
81	Q	88.8	Confident	84.8	Confident	72 Å²	72	87.2 Å²	87.2	34%	0.336	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-39.2	177.1	-72.6	177.8	-3.5	0	0	112.4	M77 L78 M85	M77-Q81 WeakPolarHBondContact O-CG 3.4Å; M77-Q81 PolarHBondContact O-N 3.5Å; L78-Q81 PolarHBondContact O-N 2.92Å; Q81-M85 WeakPolarHBondContact O-CB 3.48Å; Q81-M85 WeakPolarHBondContact O-CG 3.02Å; Q81-M85 PolarHBondContact O-N 2.87Å; Q81-M85 VanDerWaalsContact O-N 3.12Å
82	F	86.3	Confident	83.5	Confident	57 Å²	57	91.8 Å²	91.8	25%	0.25	42%	0.415	C	S	.	.	H	α-helix	trans	-63.6	-47	175.2	178.5	-104	0	0	0	111.9	L78 K79 R80 E84 M85 E86 D101 M104	L78-F82 PolarHBondContact O-N 3.36Å; K79-F82 PolarHBondContact O-N 3.3Å; R80-F82 VanDerWaalsContact C-N 3.29Å; R80-F82 PolarHBondContact O-N 2.91Å; F82-E84 PolarHBondContact O-N 3.35Å; F82-M85 WeakPolarHBondContact O-CB 3.03Å; F82-M85 PolarHBondContact O-N 3.24Å; F82-M85 VanDerWaalsContact O-N 3.13Å; F82-E86 WeakPolarHBondContact CE1-OE2 3.46Å; F82-E86 WeakPolarHBondContact O-CB 3.44Å; F82-E86 PolarHBondContact O-N 2.8Å; F82-D101 HydrophobicContact CD2-CB 4.38Å; F82-D101 WeakPolarHBondContact CD2-OD2 3.42Å; F82-D101 WeakPolarHBondContact CE2-OD2 3.29Å; F82-M104 HydrophobicContact CD1-SD 4.48Å; F82-M104 HydrophobicContact CD2-CG 3.45Å; F82-M104 VanDerWaalsContact CD2-CG 3.45Å; F82-M104 HydrophobicContact CD2-SD 3.51Å; F82-M104 VanDerWaalsContact CD2-SD 3.51Å; F82-M104 HydrophobicContact CE2-CG 3.63Å; F82-M104 HydrophobicContact CE2-SD 3.74Å; F82-M104 HydrophobicContact CG-CG 4.37Å; F82-M104 HydrophobicContact CG-SD 3.91Å; F82-M104 HydrophobicContact CZ-SD 4.33Å
83	L	86.5	Confident	82.3	Confident	71 Å²	71	96.5 Å²	96.5	37%	0.372	43%	0.432	S	S	.	.	H	α-helix	trans	-63.2	-41	177.3	-69.6	171	0	0	0	112.3	K79 R80 M85 E86 Y87	K79-L83 HydrophobicContact CG-CD1 4.36Å; K79-L83 WeakPolarHBondContact O-CG 3.45Å; K79-L83 PolarHBondContact O-N 3.12Å; R80-L83 PolarHBondContact O-N 2.97Å; L83-M85 PolarHBondContact O-N 2.68Å; L83-E86 PolarHBondContact O-N 2.88Å; L83-Y87 HydrophobicContact CD2-CD2 4.41Å; L83-Y87 HydrophobicContact CD2-CE2 3.92Å; L83-Y87 WeakPolarHBondContact O-CD2 2.99Å; L83-Y87 PolarHBondContact O-N 3.41Å; L83-Y87 VanDerWaalsContact O-N 3.11Å
84	E	86.3	Confident	80.9	Confident	104 Å²	104	97.7 Å²	97.7	49%	0.486	45%	0.445	S	S	.	.	H	α-helix	trans	-60.3	-33.8	175.3	-75.1	171.5	-176	0	0	111.8	R80 F82 N88	R80-E84 HydrophobicContact CG-CG 4.45Å; R80-E84 WeakPolarHBondContact CG-OE1 3.35Å; R80-E84 IonicContact CZ-OE1 2.68Å; R80-E84 IonicContact NE-OE1 3.48Å; R80-E84 PolarHBondContact NE-OE1 2.91Å; R80-E84 IonicContact NH2-OE1 3.53Å; R80-E84 WeakPolarHBondContact O-CG 3.5Å; R80-E84 PolarHBondContact O-N 2.76Å; F82-E84 PolarHBondContact O-N 3.35Å; E84-N88 WeakPolarHBondContact O-CB 3.48Å; E84-N88 PolarHBondContact O-N 3.44Å
85	M	81.5	Confident	79.7	Confident	36 Å²	36	99.1 Å²	99.1	18%	0.177	46%	0.464	C	S	.	.	H	α-helix	trans	-78.8	-43.5	177.3	-81.7	-65.7	-64.2	0	0	112.9	Q81 F82 L83 Y87 N88 R91 I99 D101	Q81-M85 WeakPolarHBondContact O-CB 3.48Å; Q81-M85 WeakPolarHBondContact O-CG 3.02Å; Q81-M85 PolarHBondContact O-N 2.87Å; Q81-M85 VanDerWaalsContact O-N 3.12Å; F82-M85 WeakPolarHBondContact O-CB 3.03Å; F82-M85 PolarHBondContact O-N 3.24Å; F82-M85 VanDerWaalsContact O-N 3.13Å; L83-M85 PolarHBondContact O-N 2.68Å; M85-Y87 VanDerWaalsContact C-N 3.34Å; M85-Y87 PolarHBondContact O-N 3.17Å; M85-N88 PolarHBondContact O-N 3.44Å; M85-R91 PolarHBondContact SD-NH1 3.45Å; M85-I99 HydrophobicContact CE-CG2 4.23Å; M85-D101 WeakPolarHBondContact CE-OD1 3.39Å
86	E	79.6	Confident	78.5	Confident	58 Å²	58	104.8 Å²	104.8	27%	0.271	49%	0.491	S	S	.	.	H	α-helix	trans	-63.5	-38.8	-178.7	-175.9	171.3	-153.7	0	0	112.2	F82 L83 R93	F82-E86 WeakPolarHBondContact CE1-OE2 3.46Å; F82-E86 WeakPolarHBondContact O-CB 3.44Å; F82-E86 PolarHBondContact O-N 2.8Å; L83-E86 PolarHBondContact O-N 2.88Å; E86-R93 IonicContact OE1-NH1 3.81Å
87	Y	82.2	Confident	77.5	Confident	172 Å²	172	105.5 Å²	105.5	68%	0.675	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	10.8	-179.6	-65.6	-77.9	0	0	0	113.9	L83 M85 P89	L83-Y87 HydrophobicContact CD2-CD2 4.41Å; L83-Y87 HydrophobicContact CD2-CE2 3.92Å; L83-Y87 WeakPolarHBondContact O-CD2 2.99Å; L83-Y87 PolarHBondContact O-N 3.41Å; L83-Y87 VanDerWaalsContact O-N 3.11Å; M85-Y87 VanDerWaalsContact C-N 3.34Å; M85-Y87 PolarHBondContact O-N 3.17Å; Y87-P89 WeakPolarHBondContact O-CD 3.42Å
88	N	81.3	Confident	76.5	Confident	55 Å²	55	105.3 Å²	105.3	29%	0.294	51%	0.507	S	S	.	.			trans	-70.8	118.5	178.1	-168	-27.8	0	0	0	110.6	E84 M85 M90 R91	E84-N88 WeakPolarHBondContact O-CB 3.48Å; E84-N88 PolarHBondContact O-N 3.44Å; M85-N88 PolarHBondContact O-N 3.44Å; N88-M90 PolarHBondContact O-N 2.89Å; N88-M90 VanDerWaalsContact O-N 3.13Å; N88-M90 WeakPolarHBondContact OD1-CB 3.34Å; N88-M90 PolarHBondContact OD1-N 2.81Å; N88-R91 HydrophobicContact CB-CB 4.33Å; N88-R91 CarbonylContact O-C 3.4Å; N88-R91 PolarHBondContact O-N 2.98Å
89	P	76.9	Confident	75.5	Confident	85 Å²	85	106.9 Å²	106.9	55%	0.552	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.2	-179.4	27.6	-36	0	0	0	113.1	Y87 F92	Y87-P89 WeakPolarHBondContact O-CD 3.42Å; P89-F92 HydrophobicContact CB-CZ 4.32Å; P89-F92 WeakPolarHBondContact O-CD2 3.23Å; P89-F92 WeakPolarHBondContact O-CE2 3.44Å
90	M	78.9	Confident	74.8	Confident	170 Å²	170	105.8 Å²	105.8	84%	0.837	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-13.6	178	-59.7	-63.5	-76.5	0	0	113	N88	N88-M90 PolarHBondContact O-N 2.89Å; N88-M90 VanDerWaalsContact O-N 3.13Å; N88-M90 WeakPolarHBondContact OD1-CB 3.34Å; N88-M90 PolarHBondContact OD1-N 2.81Å
91	R	67	Low	74.3	Confident	143 Å²	143	98.5 Å²	98.5	54%	0.54	49%	0.492	S	S	.	.	S	Bend	trans	-128.6	58.6	-176.7	-68.8	-171.8	167.9	-176.5	-8.7	110.4	M85 N88 R93	M85-R91 PolarHBondContact SD-NH1 3.45Å; N88-R91 HydrophobicContact CB-CB 4.33Å; N88-R91 CarbonylContact O-C 3.4Å; N88-R91 PolarHBondContact O-N 2.98Å; R91-R93 PolarHBondContact O-N 3.04Å
92	F	60.3	Low	74	Confident	119 Å²	119	99.5 Å²	99.5	52%	0.522	51%	0.505	S	S	.	.			trans	-60	131.7	178.2	-75.1	-72.2	0	0	0	112.5	P89 Q94 V95	P89-F92 HydrophobicContact CB-CZ 4.32Å; P89-F92 WeakPolarHBondContact O-CD2 3.23Å; P89-F92 WeakPolarHBondContact O-CE2 3.44Å; F92-Q94 PolarHBondContact O-N 3.28Å; F92-Q94 VanDerWaalsContact O-N 3.11Å; F92-V95 PolarHBondContact O-N 3.23Å
93	R	60.6	Low	74	Confident	160 Å²	160	97.1 Å²	97.1	60%	0.604	50%	0.495	S	S	*	.	H	α-helix	trans	-53	-29.2	169.7	-162	179.2	-171.6	174.5	3.8	113.1	E86 R91 V95 G97 I99	E86-R93 IonicContact OE1-NH1 3.81Å; R91-R93 PolarHBondContact O-N 3.04Å; R93-V95 VanDerWaalsContact C-N 3.3Å; R93-V95 PolarHBondContact O-N 2.98Å; R93-G97 PolarHBondContact O-N 3.37Å; R93-I99 HydrophobicContact CB-CD1 3.92Å; R93-I99 HydrophobicContact CB-CG1 4.44Å; R93-I99 HydrophobicContact CG-CD1 4.14Å; R93-I99 HydrophobicContact CG-CG1 4.32Å
94	Q	60.8	Low	74	Confident	182 Å²	182	96.2 Å²	96.2	85%	0.85	49%	0.489	S	S	*	.	H	α-helix	trans	-65.6	-27.4	-176.4	-65.3	179.5	-5.4	0	0	113.7	F92	F92-Q94 PolarHBondContact O-N 3.28Å; F92-Q94 VanDerWaalsContact O-N 3.11Å
95	V	63.1	Low	74	Confident	125 Å²	125	97.4 Å²	97.4	76%	0.758	49%	0.493	S	S	*	.	H	α-helix	trans	-88.4	-35	-175.9	-177.6	0	0	0	0	112.2	F92 R93	F92-V95 PolarHBondContact O-N 3.23Å; R93-V95 VanDerWaalsContact C-N 3.3Å; R93-V95 PolarHBondContact O-N 2.98Å
96	Q	62.4	Low	74.3	Confident	147 Å²	147	98.4 Å²	98.4	69%	0.687	50%	0.495	S	S	*	.	H	α-helix	trans	-108.1	-2.9	-169.5	-70.5	-175.9	-13.3	0	0	115.2	V98	Q96-V98 PolarHBondContact O-N 3.09Å
97	G	66.6	Low	74.7	Confident	61 Å²	61	97.9 Å²	97.9	63%	0.629	49%	0.49	S	S	*	.	S	Bend	trans	71.5	-38	171.8	0	0	0	0	0	115.4	R93	R93-G97 PolarHBondContact O-N 3.37Å
98	V	70.2	Confident	74.9	Confident	107 Å²	107	95.6 Å²	95.6	65%	0.648	48%	0.481	S	S	*	.	S	Bend	trans	-144.7	112	174.5	-177.3	0	0	0	0	108.4	Q96 V100	Q96-V98 PolarHBondContact O-N 3.09Å; V98-V100 HydrophobicContact CG1-CG2 4.28Å; V98-V100 PolarHBondContact O-N 3.48Å
99	I	66.9	Low	75.1	Confident	38 Å²	38	94.3 Å²	94.3	20%	0.195	48%	0.479	C	S	.	.			trans	-76.7	107.2	171.4	-55.8	174.9	0	0	0	107	M85 R93 D101	M85-I99 HydrophobicContact CE-CG2 4.23Å; R93-I99 HydrophobicContact CB-CD1 3.92Å; R93-I99 HydrophobicContact CB-CG1 4.44Å; R93-I99 HydrophobicContact CG-CD1 4.14Å; R93-I99 HydrophobicContact CG-CG1 4.32Å; I99-D101 VanDerWaalsContact C-N 3.33Å; I99-D101 VanDerWaalsContact CG2-CG 3.48Å; I99-D101 WeakPolarHBondContact CG2-OD1 3.15Å; I99-D101 PolarHBondContact O-N 3.29Å; I99-D101 VanDerWaalsContact O-N 3.08Å
100	V	74.4	Confident	75.4	Confident	101 Å²	101	91 Å²	91	61%	0.612	46%	0.456	S	S	*	.			trans	-80.8	84.1	175.5	-179	0	0	0	0	108.2	V98 F105	V98-V100 HydrophobicContact CG1-CG2 4.28Å; V98-V100 PolarHBondContact O-N 3.48Å; V100-F105 HydrophobicContact CG1-CE2 3.38Å; V100-F105 HydrophobicContact CG1-CZ 3.81Å
101	D	79.8	Confident	75.6	Confident	5 Å²	5	86.6 Å²	86.6	3%	0.027	43%	0.434	C	S	.	.			trans	-82.6	126	-178.3	-77.9	-35.9	0	0	0	112.3	F82 M85 I99 S103 M104 F105	F82-D101 HydrophobicContact CD2-CB 4.38Å; F82-D101 WeakPolarHBondContact CD2-OD2 3.42Å; F82-D101 WeakPolarHBondContact CE2-OD2 3.29Å; M85-D101 WeakPolarHBondContact CE-OD1 3.39Å; I99-D101 VanDerWaalsContact C-N 3.33Å; I99-D101 VanDerWaalsContact CG2-CG 3.48Å; I99-D101 WeakPolarHBondContact CG2-OD1 3.15Å; I99-D101 PolarHBondContact O-N 3.29Å; I99-D101 VanDerWaalsContact O-N 3.08Å; D101-S103 PolarHBondContact O-N 3.41Å; D101-M104 HydrophobicContact CB-CB 4.33Å; D101-M104 HydrophobicContact CB-CG 4.01Å; D101-M104 PolarHBondContact O-N 2.94Å; D101-M104 VanDerWaalsContact O-N 3.14Å; D101-F105 PolarHBondContact O-N 3.27Å
102	P	83.5	Confident	76.2	Confident	94 Å²	94	86.8 Å²	86.8	61%	0.61	44%	0.442	S	S	*	.	H	α-helix	trans	-64.4	-25	175.5	26.5	-33.8	0	0	0	112.6	R106	P102-R106 VanDerWaalsContact O-CG 3.29Å; P102-R106 WeakPolarHBondContact O-CG 3.44Å; P102-R106 PolarHBondContact O-N 2.67Å; P102-R106 VanDerWaalsContact O-N 3.12Å
103	S	85.3	Confident	77.1	Confident	6 Å²	6	87 Å²	87	4%	0.042	45%	0.448	C	S	.	.	H	α-helix	trans	-66.4	-36.4	175.1	55.3	0	0	0	0	112	D101 R106 W107	D101-S103 PolarHBondContact O-N 3.41Å; S103-R106 PolarHBondContact O-N 2.71Å; S103-W107 WeakPolarHBondContact O-CB 3.06Å; S103-W107 PolarHBondContact O-N 3.29Å
104	M	85.9	Confident	77.9	Confident	53 Å²	53	83 Å²	83	26%	0.261	44%	0.439	S	S	.	.	H	α-helix	trans	-66.6	-43.2	176.9	-72.5	-58.6	-63.3	0	0	111.7	F82 D101 R106 W107 Y108	F82-M104 HydrophobicContact CD1-SD 4.48Å; F82-M104 HydrophobicContact CD2-CG 3.45Å; F82-M104 VanDerWaalsContact CD2-CG 3.45Å; F82-M104 HydrophobicContact CD2-SD 3.51Å; F82-M104 VanDerWaalsContact CD2-SD 3.51Å; F82-M104 HydrophobicContact CE2-CG 3.63Å; F82-M104 HydrophobicContact CE2-SD 3.74Å; F82-M104 HydrophobicContact CG-CG 4.37Å; F82-M104 HydrophobicContact CG-SD 3.91Å; F82-M104 HydrophobicContact CZ-SD 4.33Å; D101-M104 HydrophobicContact CB-CB 4.33Å; D101-M104 HydrophobicContact CB-CG 4.01Å; D101-M104 PolarHBondContact O-N 2.94Å; D101-M104 VanDerWaalsContact O-N 3.14Å; M104-R106 VanDerWaalsContact C-N 3.32Å; M104-R106 PolarHBondContact O-N 2.99Å; M104-W107 VanDerWaalsContact O-CB 3.31Å; M104-W107 WeakPolarHBondContact O-CB 3.16Å; M104-W107 PolarHBondContact O-N 3.41Å; M104-Y108 HydrophobicContact CE-CE2 3.94Å; M104-Y108 WeakPolarHBondContact O-CD2 3.49Å; M104-Y108 PolarHBondContact O-N 2.96Å
105	F	86.5	Confident	78.8	Confident	128 Å²	128	75.9 Å²	75.9	56%	0.561	41%	0.411	S	S	*	.	H	α-helix	trans	-64.3	-38.5	174.6	-65.5	-58.9	0	0	0	112.6	V100 D101 W107 Y108 A109	V100-F105 HydrophobicContact CG1-CE2 3.38Å; V100-F105 HydrophobicContact CG1-CZ 3.81Å; D101-F105 PolarHBondContact O-N 3.27Å; F105-W107 VanDerWaalsContact C-N 3.28Å; F105-W107 PolarHBondContact O-N 3.4Å; F105-Y108 PolarHBondContact O-N 3.36Å; F105-A109 VanDerWaalsContact O-CB 3.31Å; F105-A109 WeakPolarHBondContact O-CB 3.21Å; F105-A109 PolarHBondContact O-N 2.93Å
106	R	88.3	Confident	79.3	Confident	57 Å²	57	71.5 Å²	71.5	22%	0.215	38%	0.382	C	S	.	.	H	α-helix	trans	-64.7	-34.7	174.5	-71.9	172.4	70.8	-177.8	0.9	112	L78 P102 S103 M104 M110 E116	L78-R106 HydrophobicContact CD1-CB 4.15Å; L78-R106 HydrophobicContact CD2-CB 3.96Å; P102-R106 VanDerWaalsContact O-CG 3.29Å; P102-R106 WeakPolarHBondContact O-CG 3.44Å; P102-R106 PolarHBondContact O-N 2.67Å; P102-R106 VanDerWaalsContact O-N 3.12Å; S103-R106 PolarHBondContact O-N 2.71Å; M104-R106 VanDerWaalsContact C-N 3.32Å; M104-R106 PolarHBondContact O-N 2.99Å; R106-M110 WeakPolarHBondContact O-CB 3.32Å; R106-M110 PolarHBondContact O-N 2.73Å; R106-E116 IonicContact CZ-OE2 3Å; R106-E116 IonicContact NE-OE2 2.83Å; R106-E116 IonicContact NH2-OE2 3.67Å; R106-E116 PolarHBondContact NH2-OE2 2.71Å
107	W	87.2	Confident	80.1	Confident	47 Å²	47	71.6 Å²	71.6	18%	0.178	38%	0.376	C	S	.	.	H	α-helix	trans	-62.7	-53.2	173.6	-176.1	-75.5	0	0	0	111.3	K75 L78 K79 S103 M104 F105 A109 M110 E111	K75-W107 HydrophobicContact CB-CH2 4.44Å; K75-W107 HydrophobicContact CB-CZ3 4.22Å; K75-W107 HydrophobicContact CD-CH2 3.76Å; K75-W107 HydrophobicContact CD-CZ2 3.99Å; K75-W107 HydrophobicContact CD-CZ3 4.36Å; K75-W107 HydrophobicContact CG-CE3 4.03Å; K75-W107 HydrophobicContact CG-CH2 3.1Å; K75-W107 HydrophobicContact CG-CZ2 3.73Å; K75-W107 HydrophobicContact CG-CZ3 3.24Å; K75-W107 VanDerWaalsContact O-CZ3 3.26Å; K75-W107 WeakPolarHBondContact O-CZ3 3.47Å; L78-W107 HydrophobicContact CB-CE3 3.92Å; L78-W107 HydrophobicContact CB-CZ3 4.47Å; L78-W107 HydrophobicContact CD1-CB 4.43Å; L78-W107 HydrophobicContact CD1-CE3 4.48Å; K79-W107 HydrophobicContact CB-CZ3 4.01Å; S103-W107 WeakPolarHBondContact O-CB 3.06Å; S103-W107 PolarHBondContact O-N 3.29Å; M104-W107 VanDerWaalsContact O-CB 3.31Å; M104-W107 WeakPolarHBondContact O-CB 3.16Å; M104-W107 PolarHBondContact O-N 3.41Å; F105-W107 VanDerWaalsContact C-N 3.28Å; F105-W107 PolarHBondContact O-N 3.4Å; W107-A109 VanDerWaalsContact C-N 3.3Å; W107-A109 PolarHBondContact O-N 3.11Å; W107-M110 WeakPolarHBondContact O-CB 3.2Å; W107-M110 PolarHBondContact O-N 3.08Å; W107-M110 VanDerWaalsContact O-N 3.07Å; W107-E111 PolarHBondContact NE1-OE1 2.78Å; W107-E111 PolarHBondContact O-N 3Å
108	Y	86.4	Confident	80.8	Confident	124 Å²	124	75.1 Å²	75.1	49%	0.486	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-40.1	177.7	-70.1	-59.3	0	0	0	112.1	M104 F105 M110 E111 M112	M104-Y108 HydrophobicContact CE-CE2 3.94Å; M104-Y108 WeakPolarHBondContact O-CD2 3.49Å; M104-Y108 PolarHBondContact O-N 2.96Å; F105-Y108 PolarHBondContact O-N 3.36Å; Y108-M110 VanDerWaalsContact C-N 3.32Å; Y108-M110 PolarHBondContact O-N 3.29Å; Y108-E111 PolarHBondContact O-N 3.26Å; Y108-M112 WeakPolarHBondContact O-CB 3.35Å; Y108-M112 VanDerWaalsContact O-CG 3.23Å; Y108-M112 WeakPolarHBondContact O-CG 3.46Å; Y108-M112 PolarHBondContact O-N 2.8Å
109	A	85.3	Confident	81.3	Confident	29 Å²	29	77.2 Å²	77.2	24%	0.24	37%	0.372	C	S	.	.	H	α-helix	trans	-61.6	-40.2	174	0	0	0	0	0	111.9	F105 W107 M112 L113 A115	F105-A109 VanDerWaalsContact O-CB 3.31Å; F105-A109 WeakPolarHBondContact O-CB 3.21Å; F105-A109 PolarHBondContact O-N 2.93Å; W107-A109 VanDerWaalsContact C-N 3.3Å; W107-A109 PolarHBondContact O-N 3.11Å; A109-M112 PolarHBondContact O-N 2.68Å; A109-L113 WeakPolarHBondContact O-CA 3.45Å; A109-L113 WeakPolarHBondContact O-CB 3.3Å; A109-L113 PolarHBondContact O-N 2.71Å; A109-A115 CarbonylContact C-O 3.48Å
110	M	83.8	Confident	82.2	Confident	15 Å²	15	84.5 Å²	84.5	7%	0.074	40%	0.398	C	S	.	.	H	α-helix	trans	-63.4	-42.4	175.5	-168.5	-149.5	-53.9	0	0	111.7	R74 K75 L78 R106 W107 Y108 N114	R74-M110 HydrophobicContact CB-CE 3.92Å; K75-M110 HydrophobicContact CB-CE 4.32Å; L78-M110 HydrophobicContact CD1-CE 3.45Å; L78-M110 VanDerWaalsContact CD1-CE 3.45Å; R106-M110 WeakPolarHBondContact O-CB 3.32Å; R106-M110 PolarHBondContact O-N 2.73Å; W107-M110 WeakPolarHBondContact O-CB 3.2Å; W107-M110 PolarHBondContact O-N 3.08Å; W107-M110 VanDerWaalsContact O-N 3.07Å; Y108-M110 VanDerWaalsContact C-N 3.32Å; Y108-M110 PolarHBondContact O-N 3.29Å; M110-N114 WeakPolarHBondContact O-CA 3.5Å; M110-N114 PolarHBondContact O-N 2.95Å
111	E	83.4	Confident	82.8	Confident	78 Å²	78	82.6 Å²	82.6	36%	0.364	39%	0.387	S	S	.	.	H	α-helix	trans	-69.1	-35.1	179.4	-71.8	-174	162.8	0	0	112.6	K75 W107 Y108	K75-E111 IonicContact NZ-OE1 3.44Å; W107-E111 PolarHBondContact NE1-OE1 2.78Å; W107-E111 PolarHBondContact O-N 3Å; Y108-E111 PolarHBondContact O-N 3.26Å
112	M	79.4	Confident	83.4	Confident	146 Å²	146	87.7 Å²	87.7	72%	0.719	42%	0.42	S	S	*	.	H	α-helix	trans	-88.5	-43.8	-176.3	-62.6	-67.1	169	0	0	113.6	Y108 A109	Y108-M112 WeakPolarHBondContact O-CB 3.35Å; Y108-M112 VanDerWaalsContact O-CG 3.23Å; Y108-M112 WeakPolarHBondContact O-CG 3.46Å; Y108-M112 PolarHBondContact O-N 2.8Å; A109-M112 PolarHBondContact O-N 2.68Å
113	L	80.1	Confident	83.8	Confident	124 Å²	124	90.5 Å²	90.5	65%	0.649	42%	0.423	S	S	*	.	H	α-helix	trans	-106.1	-4.3	-172.7	-62.2	174.8	0	0	0	113.2	A109 A115	A109-L113 WeakPolarHBondContact O-CA 3.45Å; A109-L113 WeakPolarHBondContact O-CB 3.3Å; A109-L113 PolarHBondContact O-N 2.71Å; L113-A115 PolarHBondContact O-N 2.65Å; L113-A115 VanDerWaalsContact O-N 3.11Å
114	N	76.9	Confident	84.1	Confident	76 Å²	76	92.2 Å²	92.2	41%	0.406	43%	0.433	S	S	.	.	S	Bend	trans	58.9	15	-171.8	-60.1	-67.5	0	0	0	114.3	I40 M110	I40-N114 HydrophobicContact CD1-CB 4.24Å; I40-N114 WeakPolarHBondContact CG1-OD1 2.97Å; M110-N114 WeakPolarHBondContact O-CA 3.5Å; M110-N114 PolarHBondContact O-N 2.95Å
115	A	78.9	Confident	84.5	Confident	32 Å²	32	93.1 Å²	93.1	26%	0.264	44%	0.441	S	S	.	.	S	Bend	trans	-136.7	136.2	179.7	0	0	0	0	0	110.1	A109 L113 R117	A109-A115 CarbonylContact C-O 3.48Å; L113-A115 PolarHBondContact O-N 2.65Å; L113-A115 VanDerWaalsContact O-N 3.11Å; A115-R117 PolarHBondContact O-N 2.76Å
116	E	73.5	Confident	84.9	Confident	33 Å²	33	94 Å²	94	15%	0.154	45%	0.445	C	S	.	.	S	Bend	trans	-68.7	-27.6	178.1	-63	-175.1	179.7	0	0	112.9	R74 R106	R74-E116 WeakPolarHBondContact CB-OE1 3.39Å; R74-E116 WeakPolarHBondContact CD-OE1 3.31Å; R74-E116 WeakPolarHBondContact CG-OE1 3.31Å; R106-E116 IonicContact CZ-OE2 3Å; R106-E116 IonicContact NE-OE2 2.83Å; R106-E116 IonicContact NH2-OE2 3.67Å; R106-E116 PolarHBondContact NH2-OE2 2.71Å
117	R	80.5	Confident	85.2	Confident	149 Å²	149	98.5 Å²	98.5	56%	0.562	46%	0.463	S	S	*	.	S	Bend	trans	-145.6	152.2	-178.1	-63	-177.4	-176	170	0.4	108.2	A115 Y119	A115-R117 PolarHBondContact O-N 2.76Å; R117-Y119 VanDerWaalsContact O-CD2 3.3Å; R117-Y119 WeakPolarHBondContact O-CD2 3.21Å; R117-Y119 WeakPolarHBondContact O-CE2 3.09Å; R117-Y119 PolarHBondContact O-N 2.71Å
118	F	79.7	Confident	85.6	Confident	135 Å²	135	102 Å²	102	59%	0.592	49%	0.485	S	S	*	.			trans	-70.4	115.6	169	-174.4	-100.7	0	0	0	109.2	Y120 T124	F118-Y120 HydrophobicContact CD1-CD1 4.32Å; F118-Y120 HydrophobicContact CD1-CE1 4.25Å; F118-Y120 AromaticContact CE1-CD1 3.85Å; F118-Y120 HydrophobicContact CE1-CD1 3.85Å; F118-Y120 AromaticContact CE1-CE1 3.96Å; F118-Y120 HydrophobicContact CE1-CE1 3.96Å; F118-T124 HydrophobicContact CE2-CG2 4.13Å; F118-T124 HydrophobicContact CZ-CG2 3.78Å
119	Y	81.4	Confident	86.1	Confident	152 Å²	152	100.6 Å²	100.6	60%	0.596	49%	0.485	S	S	*	.			trans	-92.5	126.7	172.3	-63	-80.2	0	0	0	109.1	R117 T121	R117-Y119 VanDerWaalsContact O-CD2 3.3Å; R117-Y119 WeakPolarHBondContact O-CD2 3.21Å; R117-Y119 WeakPolarHBondContact O-CE2 3.09Å; R117-Y119 PolarHBondContact O-N 2.71Å; Y119-T121 PolarHBondContact O-N 2.86Å
120	Y	85.2	Confident	86.7	Confident	191 Å²	191	100.6 Å²	100.6	75%	0.749	49%	0.488	S	S	*	.			trans	-66.8	100.8	170.2	-64.2	-76.2	0	0	0	109	F118 V125	F118-Y120 HydrophobicContact CD1-CD1 4.32Å; F118-Y120 HydrophobicContact CD1-CE1 4.25Å; F118-Y120 AromaticContact CE1-CD1 3.85Å; F118-Y120 HydrophobicContact CE1-CD1 3.85Å; F118-Y120 AromaticContact CE1-CE1 3.96Å; F118-Y120 HydrophobicContact CE1-CE1 3.96Å; Y120-V125 HydrophobicContact CD1-CG2 4.45Å
121	T	88.9	Confident	87.3	Confident	60 Å²	60	103.5 Å²	103.5	37%	0.368	51%	0.507	S	S	.	.			trans	-87.9	151.8	167.1	65.8	0	0	0	0	109.1	Y119 K123 T124 V125	Y119-T121 PolarHBondContact O-N 2.86Å; T121-K123 PolarHBondContact O-N 3.46Å; T121-K123 VanDerWaalsContact O-N 3.13Å; T121-T124 WeakPolarHBondContact CA-OG1 3.31Å; T121-T124 PolarHBondContact N-OG1 3.32Å; T121-T124 PolarHBondContact O-N 3.03Å; T121-T124 PolarHBondContact O-OG1 2.79Å; T121-T124 VanDerWaalsContact OG1-CG2 3.32Å; T121-T124 WeakPolarHBondContact OG1-CG2 3.32Å; T121-T124 PolarHBondContact OG1-N 3.09Å; T121-T124 VanDerWaalsContact OG1-N 3.09Å; T121-T124 PolarHBondContact OG1-OG1 3.36Å; T121-V125 PolarHBondContact O-N 2.95Å
122	P	91.3	Very high	87.9	Confident	113 Å²	113	106.5 Å²	106.5	73%	0.734	52%	0.519	S	S	*	.	H	α-helix	trans	-56.1	-32.2	174.9	22.2	-33.5	0	0	0	111.8	V125 F126	P122-V125 PolarHBondContact O-N 2.97Å; P122-F126 WeakPolarHBondContact O-CB 3.42Å; P122-F126 PolarHBondContact O-N 3.49Å
123	K	92	Very high	88.8	Confident	153 Å²	153	104.2 Å²	104.2	67%	0.665	51%	0.509	S	S	*	.	H	α-helix	trans	-63.7	-48.2	173.8	-65.1	-176.5	-178.9	178.2	0	112.2	T121 V125 F126 Y127	T121-K123 PolarHBondContact O-N 3.46Å; T121-K123 VanDerWaalsContact O-N 3.13Å; K123-V125 VanDerWaalsContact C-N 3.31Å; K123-V125 PolarHBondContact O-N 2.93Å; K123-F126 PolarHBondContact O-N 2.87Å; K123-Y127 HydrophobicContact CB-CE2 4.22Å; K123-Y127 WeakPolarHBondContact O-CD2 3.13Å; K123-Y127 PolarHBondContact O-N 3.37Å
124	T	91.4	Very high	89.5	Confident	41 Å²	41	103 Å²	103	25%	0.252	50%	0.503	S	S	.	.	H	α-helix	trans	-63.4	-37.8	178.4	47.9	0	0	0	0	112.4	F118 T121 Y127 L128	F118-T124 HydrophobicContact CE2-CG2 4.13Å; F118-T124 HydrophobicContact CZ-CG2 3.78Å; T121-T124 WeakPolarHBondContact CA-OG1 3.31Å; T121-T124 PolarHBondContact N-OG1 3.32Å; T121-T124 PolarHBondContact O-N 3.03Å; T121-T124 PolarHBondContact O-OG1 2.79Å; T121-T124 VanDerWaalsContact OG1-CG2 3.32Å; T121-T124 WeakPolarHBondContact OG1-CG2 3.32Å; T121-T124 PolarHBondContact OG1-N 3.09Å; T121-T124 VanDerWaalsContact OG1-N 3.09Å; T121-T124 PolarHBondContact OG1-OG1 3.36Å; T124-Y127 PolarHBondContact O-N 2.7Å; T124-L128 VanDerWaalsContact O-CB 3.31Å; T124-L128 WeakPolarHBondContact O-CB 3.5Å; T124-L128 PolarHBondContact O-N 3.04Å
125	V	93.8	Very high	90.5	Very high	72 Å²	72	104.9 Å²	104.9	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-66.4	-43.7	176	177	0	0	0	0	110.5	Y120 T121 P122 K123 Y127 L128 L129	Y120-V125 HydrophobicContact CD1-CG2 4.45Å; T121-V125 PolarHBondContact O-N 2.95Å; P122-V125 PolarHBondContact O-N 2.97Å; K123-V125 VanDerWaalsContact C-N 3.31Å; K123-V125 PolarHBondContact O-N 2.93Å; V125-Y127 PolarHBondContact O-N 3.06Å; V125-L128 PolarHBondContact O-N 3.04Å; V125-L129 WeakPolarHBondContact O-CB 3.37Å; V125-L129 PolarHBondContact O-N 2.69Å
126	F	95.8	Very high	91.3	Very high	147 Å²	147	105.7 Å²	105.7	65%	0.645	51%	0.514	S	S	*	.	H	α-helix	trans	-60.1	-45	175.6	-179.3	-95.9	0	0	0	112.2	P122 K123 G130	P122-F126 WeakPolarHBondContact O-CB 3.42Å; P122-F126 PolarHBondContact O-N 3.49Å; K123-F126 PolarHBondContact O-N 2.87Å; F126-G130 WeakPolarHBondContact O-CA 3.21Å; F126-G130 PolarHBondContact O-N 3.28Å
127	Y	95.2	Very high	92.3	Very high	152 Å²	152	110.9 Å²	110.9	60%	0.596	53%	0.534	S	S	*	.	H	α-helix	trans	-65.7	-40.4	176.3	-65.8	-48.4	0	0	0	112.3	K123 T124 V125 T131	K123-Y127 HydrophobicContact CB-CE2 4.22Å; K123-Y127 WeakPolarHBondContact O-CD2 3.13Å; K123-Y127 PolarHBondContact O-N 3.37Å; T124-Y127 PolarHBondContact O-N 2.7Å; V125-Y127 PolarHBondContact O-N 3.06Å; Y127-T131 VanDerWaalsContact O-CB 3.3Å; Y127-T131 WeakPolarHBondContact O-CB 3.27Å; Y127-T131 WeakPolarHBondContact O-CG2 3.4Å; Y127-T131 PolarHBondContact O-N 3.48Å; Y127-T131 PolarHBondContact O-OG1 3.29Å
128	L	95.2	Very high	93	Very high	120 Å²	120	109.2 Å²	109.2	63%	0.628	53%	0.533	S	S	*	.	H	α-helix	trans	-64.5	-47.6	177.8	-176.3	144.1	0	0	0	111.7	T124 V125 T131 F132	T124-L128 VanDerWaalsContact O-CB 3.31Å; T124-L128 WeakPolarHBondContact O-CB 3.5Å; T124-L128 PolarHBondContact O-N 3.04Å; V125-L128 PolarHBondContact O-N 3.04Å; L128-T131 PolarHBondContact O-OG1 2.93Å; L128-T131 VanDerWaalsContact O-OG1 3.04Å; L128-F132 VanDerWaalsContact O-CB 3.27Å; L128-F132 WeakPolarHBondContact O-CB 3.13Å; L128-F132 PolarHBondContact O-N 3.49Å
129	L	96.6	Very high	93.5	Very high	94 Å²	94	108.8 Å²	108.8	49%	0.492	53%	0.532	S	S	.	.	H	α-helix	trans	-70.2	-41.7	178.8	-171.7	68.9	0	0	0	111.7	V125 F132 L133	V125-L129 WeakPolarHBondContact O-CB 3.37Å; V125-L129 PolarHBondContact O-N 2.69Å; L129-F132 PolarHBondContact O-N 3.28Å; L129-L133 HydrophobicContact CG-CD1 4.05Å; L129-L133 HydrophobicContact CG-CG 4.42Å; L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.3Å; L129-L133 PolarHBondContact O-N 3.49Å
130	G	96.9	Very high	93.9	Very high	30 Å²	30	103.1 Å²	103.1	31%	0.309	52%	0.519	S	S	.	.	H	α-helix	trans	-64.6	-43.4	179.3	0	0	0	0	0	112.5	F126 L134	F126-G130 WeakPolarHBondContact O-CA 3.21Å; F126-G130 PolarHBondContact O-N 3.28Å; G130-L134 VanDerWaalsContact O-CB 3.24Å; G130-L134 WeakPolarHBondContact O-CB 3.38Å; G130-L134 PolarHBondContact O-N 3.13Å
131	T	96.6	Very high	94	Very high	75 Å²	75	101.7 Å²	101.7	46%	0.46	51%	0.512	S	S	.	.	H	α-helix	trans	-65	-44.7	173.7	52.4	0	0	0	0	111.2	Y127 L128 L133 L134 F135	Y127-T131 VanDerWaalsContact O-CB 3.3Å; Y127-T131 WeakPolarHBondContact O-CB 3.27Å; Y127-T131 WeakPolarHBondContact O-CG2 3.4Å; Y127-T131 PolarHBondContact O-N 3.48Å; Y127-T131 PolarHBondContact O-OG1 3.29Å; L128-T131 PolarHBondContact O-OG1 2.93Å; L128-T131 VanDerWaalsContact O-OG1 3.04Å; T131-L133 PolarHBondContact O-N 2.91Å; T131-L134 PolarHBondContact O-N 2.78Å; T131-F135 WeakPolarHBondContact O-CD2 3.14Å; T131-F135 PolarHBondContact O-N 2.73Å
132	F	97.5	Very high	93.9	Very high	141 Å²	141	106.2 Å²	106.2	62%	0.618	52%	0.523	S	S	*	.	H	α-helix	trans	-57.4	-49.4	175.7	177.7	-99	0	0	0	112.5	L128 L129 L134 F135 A136	L128-F132 VanDerWaalsContact O-CB 3.27Å; L128-F132 WeakPolarHBondContact O-CB 3.13Å; L128-F132 PolarHBondContact O-N 3.49Å; L129-F132 PolarHBondContact O-N 3.28Å; F132-L134 PolarHBondContact O-N 2.96Å; F132-F135 PolarHBondContact O-N 2.87Å; F132-A136 WeakPolarHBondContact O-CB 3.4Å; F132-A136 PolarHBondContact O-N 3.43Å
133	L	96.7	Very high	93.4	Very high	98 Å²	98	102.2 Å²	102.2	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-65.4	-36.6	177.8	-71.7	174.6	0	0	0	112.5	L129 T131 A136 Y137	L129-L133 HydrophobicContact CG-CD1 4.05Å; L129-L133 HydrophobicContact CG-CG 4.42Å; L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.3Å; L129-L133 PolarHBondContact O-N 3.49Å; T131-L133 PolarHBondContact O-N 2.91Å; L133-A136 PolarHBondContact O-N 3.4Å; L133-Y137 VanDerWaalsContact O-CB 3.23Å; L133-Y137 WeakPolarHBondContact O-CB 3.41Å; L133-Y137 PolarHBondContact O-N 2.96Å
134	L	96.4	Very high	92.8	Very high	98 Å²	98	100.2 Å²	100.2	51%	0.513	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-47	175	-179.5	151	0	0	0	111	G130 T131 F132 Y137 M138	G130-L134 VanDerWaalsContact O-CB 3.24Å; G130-L134 WeakPolarHBondContact O-CB 3.38Å; G130-L134 PolarHBondContact O-N 3.13Å; T131-L134 PolarHBondContact O-N 2.78Å; F132-L134 PolarHBondContact O-N 2.96Å; L134-Y137 PolarHBondContact O-N 2.74Å; L134-M138 HydrophobicContact CD2-CG 4.1Å; L134-M138 WeakPolarHBondContact O-CB 3.49Å; L134-M138 WeakPolarHBondContact O-CG 3.38Å; L134-M138 PolarHBondContact O-N 3.43Å
135	F	96.7	Very high	92.2	Very high	116 Å²	116	101 Å²	101	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-64.3	-45.3	175.8	-78.3	-67.7	0	0	0	111.1	T131 F132 Y137 M138 F139	T131-F135 WeakPolarHBondContact O-CD2 3.14Å; T131-F135 PolarHBondContact O-N 2.73Å; F132-F135 PolarHBondContact O-N 2.87Å; F135-Y137 VanDerWaalsContact C-N 3.31Å; F135-Y137 PolarHBondContact O-N 3.45Å; F135-M138 PolarHBondContact O-N 2.87Å; F135-F139 HydrophobicContact CB-CD2 4.42Å; F135-F139 HydrophobicContact CB-CE2 4.48Å; F135-F139 WeakPolarHBondContact O-CB 3.5Å; F135-F139 WeakPolarHBondContact O-CD2 3.38Å; F135-F139 PolarHBondContact O-N 2.85Å
136	A	95.8	Very high	91.3	Very high	49 Å²	49	100.9 Å²	100.9	41%	0.405	50%	0.5	S	S	.	.	H	α-helix	trans	-58.5	-42.4	176.1	0	0	0	0	0	112.1	F132 L133 G140	F132-A136 WeakPolarHBondContact O-CB 3.4Å; F132-A136 PolarHBondContact O-N 3.43Å; L133-A136 PolarHBondContact O-N 3.4Å; A136-G140 PolarHBondContact O-N 2.86Å
137	Y	95.4	Very high	90.1	Very high	143 Å²	143	98.1 Å²	98.1	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-63.8	-46.1	174.8	176	-98.9	0	0	0	111.9	L133 L134 F135 G140 R141	L133-Y137 VanDerWaalsContact O-CB 3.23Å; L133-Y137 WeakPolarHBondContact O-CB 3.41Å; L133-Y137 PolarHBondContact O-N 2.96Å; L134-Y137 PolarHBondContact O-N 2.74Å; F135-Y137 VanDerWaalsContact C-N 3.31Å; F135-Y137 PolarHBondContact O-N 3.45Å; Y137-G140 PolarHBondContact O-N 3.38Å; Y137-R141 HydrophobicContact CE1-CG 4.01Å; Y137-R141 HydrophobicContact CE2-CG 4.26Å; Y137-R141 WeakPolarHBondContact O-CB 3.08Å; Y137-R141 PolarHBondContact O-N 2.89Å
138	M	94.5	Very high	89.1	Confident	113 Å²	113	92.4 Å²	92.4	56%	0.557	48%	0.479	S	S	*	.	H	α-helix	trans	-59.2	-47.3	176.8	-72.3	-101.1	-72.1	0	0	111.5	L134 F135 R141 W142	L134-M138 HydrophobicContact CD2-CG 4.1Å; L134-M138 WeakPolarHBondContact O-CB 3.49Å; L134-M138 WeakPolarHBondContact O-CG 3.38Å; L134-M138 PolarHBondContact O-N 3.43Å; F135-M138 PolarHBondContact O-N 2.87Å; M138-R141 PolarHBondContact O-N 3.28Å; M138-W142 WeakPolarHBondContact O-CB 3.23Å; M138-W142 PolarHBondContact O-N 3.19Å
139	F	89.8	Confident	88.1	Confident	127 Å²	127	91.1 Å²	91.1	56%	0.557	47%	0.473	S	S	*	.	H	α-helix	trans	-64	-41.5	176.1	-80.6	-67.9	0	0	0	112	F135 W142 G143	F135-F139 HydrophobicContact CB-CD2 4.42Å; F135-F139 HydrophobicContact CB-CE2 4.48Å; F135-F139 WeakPolarHBondContact O-CB 3.5Å; F135-F139 WeakPolarHBondContact O-CD2 3.38Å; F135-F139 PolarHBondContact O-N 2.85Å; F139-W142 PolarHBondContact O-N 2.88Å; F139-G143 PolarHBondContact O-N 3.37Å
140	G	89.6	Confident	86.9	Confident	32 Å²	32	88.3 Å²	88.3	33%	0.33	46%	0.456	S	S	.	.	H	α-helix	trans	-62.7	-44.3	174.4	0	0	0	0	0	112.7	A136 Y137 G143 N144	A136-G140 PolarHBondContact O-N 2.86Å; Y137-G140 PolarHBondContact O-N 3.38Å; G140-G143 PolarHBondContact O-N 3.39Å; G140-N144 WeakPolarHBondContact O-CB 3.24Å; G140-N144 PolarHBondContact O-N 2.8Å; G140-N144 PolarHBondContact O-ND2 2.78Å
141	R	88.4	Confident	85.7	Confident	161 Å²	161	91.2 Å²	91.2	61%	0.608	47%	0.465	S	S	*	.	H	α-helix	trans	-63.5	-44	175.6	-108.7	-74.9	-175	87.3	-1	111.6	Y137 M138 S145	Y137-R141 HydrophobicContact CE1-CG 4.01Å; Y137-R141 HydrophobicContact CE2-CG 4.26Å; Y137-R141 WeakPolarHBondContact O-CB 3.08Å; Y137-R141 PolarHBondContact O-N 2.89Å; M138-R141 PolarHBondContact O-N 3.28Å; R141-S145 WeakPolarHBondContact O-CB 3.39Å; R141-S145 PolarHBondContact O-N 2.85Å; R141-S145 PolarHBondContact O-OG 2.96Å
142	W	86	Confident	84.9	Confident	155 Å²	155	91.6 Å²	91.6	59%	0.587	46%	0.464	S	S	*	.	H	α-helix	trans	-59.1	-54.3	175.2	-171	-26.7	0	0	0	109.7	M138 F139 N144 S145 Q146	M138-W142 WeakPolarHBondContact O-CB 3.23Å; M138-W142 PolarHBondContact O-N 3.19Å; F139-W142 PolarHBondContact O-N 2.88Å; W142-N144 VanDerWaalsContact C-N 3.35Å; W142-N144 PolarHBondContact O-N 3.43Å; W142-S145 PolarHBondContact O-N 3.46Å; W142-S145 VanDerWaalsContact O-N 3.1Å; W142-S145 PolarHBondContact O-OG 2.83Å; W142-Q146 WeakPolarHBondContact O-CG 2.97Å; W142-Q146 PolarHBondContact O-N 3.08Å; W142-Q146 VanDerWaalsContact O-N 3.16Å
143	G	80.9	Confident	84.1	Confident	29 Å²	29	87.5 Å²	87.5	30%	0.299	45%	0.448	S	S	.	.	H	α-helix	trans	-54.9	-46.7	179.7	0	0	0	0	0	113.2	F139 G140 S145 Q146 L147	F139-G143 PolarHBondContact O-N 3.37Å; G140-G143 PolarHBondContact O-N 3.39Å; G143-S145 PolarHBondContact O-N 3.31Å; G143-Q146 PolarHBondContact O-N 3.21Å; G143-L147 PolarHBondContact O-N 2.67Å; G143-L147 VanDerWaalsContact O-N 3.09Å
144	N	79.8	Confident	83	Confident	112 Å²	112	84.2 Å²	84.2	60%	0.599	43%	0.433	S	S	*	.	H	α-helix	trans	-64.2	-36.9	177.5	-75.9	-59.3	0	0	0	113.1	G140 W142 Q146 L147 G148	G140-N144 WeakPolarHBondContact O-CB 3.24Å; G140-N144 PolarHBondContact O-N 2.8Å; G140-N144 PolarHBondContact O-ND2 2.78Å; W142-N144 VanDerWaalsContact C-N 3.35Å; W142-N144 PolarHBondContact O-N 3.43Å; N144-Q146 VanDerWaalsContact C-N 3.31Å; N144-Q146 PolarHBondContact O-N 2.97Å; N144-L147 PolarHBondContact O-N 3.49Å; N144-G148 PolarHBondContact O-N 2.91Å
145	S	77.8	Confident	82.1	Confident	56 Å²	56	90.3 Å²	90.3	39%	0.392	45%	0.449	S	S	.	.	H	α-helix	trans	-65.3	-34.3	176.9	71.5	0	0	0	0	112.9	R141 W142 G143 N149	R141-S145 WeakPolarHBondContact O-CB 3.39Å; R141-S145 PolarHBondContact O-N 2.85Å; R141-S145 PolarHBondContact O-OG 2.96Å; W142-S145 PolarHBondContact O-N 3.46Å; W142-S145 VanDerWaalsContact O-N 3.1Å; W142-S145 PolarHBondContact O-OG 2.83Å; G143-S145 PolarHBondContact O-N 3.31Å; S145-N149 VanDerWaalsContact O-CG 3.3Å; S145-N149 PolarHBondContact O-N 3.42Å; S145-N149 PolarHBondContact O-ND2 3.09Å; S145-N149 VanDerWaalsContact O-ND2 3.13Å
146	Q	75.7	Confident	81.5	Confident	70 Å²	70	90.3 Å²	90.3	33%	0.327	45%	0.451	S	S	.	.	H	α-helix	trans	-72.6	-40.1	176.9	-62.7	-66.4	-26	0	0	111.1	W142 G143 N144 Y150 P169	W142-Q146 WeakPolarHBondContact O-CG 2.97Å; W142-Q146 PolarHBondContact O-N 3.08Å; W142-Q146 VanDerWaalsContact O-N 3.16Å; G143-Q146 PolarHBondContact O-N 3.21Å; N144-Q146 VanDerWaalsContact C-N 3.31Å; N144-Q146 PolarHBondContact O-N 2.97Å; Q146-Y150 PolarHBondContact O-N 3.13Å; Q146-P169 HydrophobicContact CB-CG 4Å; Q146-P169 HydrophobicContact CG-CG 4.41Å
147	L	70.8	Confident	80.7	Confident	89 Å²	89	90.6 Å²	90.6	47%	0.466	46%	0.459	S	S	.	.	H	α-helix	trans	-67	-44.9	178.7	-162.3	70.2	0	0	0	111.9	G143 N144 N149 Y150 D151	G143-L147 PolarHBondContact O-N 2.67Å; G143-L147 VanDerWaalsContact O-N 3.09Å; N144-L147 PolarHBondContact O-N 3.49Å; L147-N149 PolarHBondContact O-N 3.37Å; L147-Y150 WeakPolarHBondContact O-CB 3.49Å; L147-Y150 PolarHBondContact O-N 3.19Å; L147-Y150 VanDerWaalsContact O-N 3.1Å; L147-D151 PolarHBondContact O-N 3.16Å
148	G	74.4	Confident	79.8	Confident	32 Å²	32	90.3 Å²	90.3	33%	0.33	46%	0.46	S	S	.	.	H	α-helix	trans	-60.7	-43	178.1	0	0	0	0	0	113.2	N144 Y150 D151 D152	N144-G148 PolarHBondContact O-N 2.91Å; G148-Y150 VanDerWaalsContact C-N 3.28Å; G148-Y150 PolarHBondContact O-N 3.45Å; G148-D151 PolarHBondContact O-N 3.34Å; G148-D152 PolarHBondContact O-N 3.44Å
149	N	74.3	Confident	78.6	Confident	94 Å²	94	88.5 Å²	88.5	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-37.1	174.7	-72.8	-26.8	0	0	0	112.1	S145 L147 L153	S145-N149 VanDerWaalsContact O-CG 3.3Å; S145-N149 PolarHBondContact O-N 3.42Å; S145-N149 PolarHBondContact O-ND2 3.09Å; S145-N149 VanDerWaalsContact O-ND2 3.13Å; L147-N149 PolarHBondContact O-N 3.37Å; N149-L153 WeakPolarHBondContact O-CD1 3.45Å; N149-L153 WeakPolarHBondContact O-CG 3.43Å; N149-L153 PolarHBondContact O-N 2.99Å; N149-L153 VanDerWaalsContact O-N 3.13Å
150	Y	70.3	Confident	77.7	Confident	35 Å²	35	86.9 Å²	86.9	14%	0.137	45%	0.446	C	S	.	.	H	α-helix	trans	-68.9	-43.8	178	180	-96.9	0	0	0	112.2	Q146 L147 G148 D152 L153 C154 R164	Q146-Y150 PolarHBondContact O-N 3.13Å; L147-Y150 WeakPolarHBondContact O-CB 3.49Å; L147-Y150 PolarHBondContact O-N 3.19Å; L147-Y150 VanDerWaalsContact O-N 3.1Å; G148-Y150 VanDerWaalsContact C-N 3.28Å; G148-Y150 PolarHBondContact O-N 3.45Å; Y150-D152 VanDerWaalsContact C-N 3.34Å; Y150-D152 PolarHBondContact O-N 3.1Å; Y150-L153 PolarHBondContact O-N 2.95Å; Y150-C154 PolarHBondContact O-N 2.98Å; Y150-C154 PolarHBondContact O-SG 3.27Å; Y150-R164 VanDerWaalsContact OH-CA 3.23Å; Y150-R164 WeakPolarHBondContact OH-CA 3.14Å; Y150-R164 WeakPolarHBondContact OH-CB 3.42Å; Y150-R164 PolarHBondContact OH-O 3.48Å
151	D	73.3	Confident	76.6	Confident	91 Å²	91	93.8 Å²	93.8	49%	0.487	46%	0.462	S	S	.	.	H	α-helix	trans	-62.4	-40.6	176.2	-75.7	-19.4	0	0	0	111.8	L147 G148 C154 R155	L147-D151 PolarHBondContact O-N 3.16Å; G148-D151 PolarHBondContact O-N 3.34Å; D151-C154 WeakPolarHBondContact O-CB 3.48Å; D151-C154 PolarHBondContact O-N 2.79Å; D151-R155 WeakPolarHBondContact O-CB 3.44Å; D151-R155 PolarHBondContact O-N 2.95Å
152	D	79	Confident	75.6	Confident	83 Å²	83	93.8 Å²	93.8	44%	0.444	46%	0.462	S	S	.	.	H	α-helix	trans	-63.4	-41	175.1	-82.5	-21.7	0	0	0	112.4	G148 Y150 C154 R155 Q156	G148-D152 PolarHBondContact O-N 3.44Å; Y150-D152 VanDerWaalsContact C-N 3.34Å; Y150-D152 PolarHBondContact O-N 3.1Å; D152-C154 VanDerWaalsContact C-N 3.32Å; D152-C154 PolarHBondContact O-N 2.99Å; D152-R155 PolarHBondContact O-N 2.98Å; D152-Q156 WeakPolarHBondContact O-CB 3.23Å; D152-Q156 VanDerWaalsContact O-CG 3.22Å; D152-Q156 WeakPolarHBondContact O-CG 3.43Å; D152-Q156 PolarHBondContact O-N 3.43Å
153	L	79.9	Confident	74.9	Confident	54 Å²	54	89.8 Å²	89.8	28%	0.283	45%	0.453	S	S	.	.	H	α-helix	trans	-66.7	-35.1	176.3	-67.7	167	0	0	0	111.8	N149 Y150 G157 K158 F159	N149-L153 WeakPolarHBondContact O-CD1 3.45Å; N149-L153 WeakPolarHBondContact O-CG 3.43Å; N149-L153 PolarHBondContact O-N 2.99Å; N149-L153 VanDerWaalsContact O-N 3.13Å; Y150-L153 PolarHBondContact O-N 2.95Å; L153-G157 PolarHBondContact O-N 3.33Å; L153-K158 HydrophobicContact CD2-CD 3.57Å; L153-K158 PolarHBondContact O-N 3.5Å; L153-F159 HydrophobicContact CB-CD2 3.64Å; L153-F159 HydrophobicContact CB-CE2 3.53Å; L153-F159 HydrophobicContact CD1-CE2 3.7Å; L153-F159 HydrophobicContact CD1-CZ 4.47Å; L153-F159 HydrophobicContact CG-CE2 4.1Å
154	C	74.3	Confident	74.1	Confident	30 Å²	30	94.8 Å²	94.8	20%	0.203	46%	0.463	C	S	.	.	H	α-helix	trans	-67.1	-42	172.2	-69.8	0	0	0	0	111.7	Y150 D151 D152 G157	Y150-C154 PolarHBondContact O-N 2.98Å; Y150-C154 PolarHBondContact O-SG 3.27Å; D151-C154 WeakPolarHBondContact O-CB 3.48Å; D151-C154 PolarHBondContact O-N 2.79Å; D152-C154 VanDerWaalsContact C-N 3.32Å; D152-C154 PolarHBondContact O-N 2.99Å; C154-G157 PolarHBondContact O-N 3.3Å
155	R	76.6	Confident	73.3	Confident	225 Å²	225	94 Å²	94	85%	0.849	46%	0.458	S	S	*	.	H	α-helix	trans	-70	-30.8	179.3	-170.7	166.8	123.8	115.6	-2	113	D151 D152 G157	D151-R155 WeakPolarHBondContact O-CB 3.44Å; D151-R155 PolarHBondContact O-N 2.95Å; D152-R155 PolarHBondContact O-N 2.98Å; R155-G157 PolarHBondContact O-N 3.21Å
156	Q	84.4	Confident	72	Confident	116 Å²	116	95.5 Å²	95.5	54%	0.542	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-7.5	172.9	-72.3	171.1	22	0	0	113.4	D152 K158	D152-Q156 WeakPolarHBondContact O-CB 3.23Å; D152-Q156 VanDerWaalsContact O-CG 3.22Å; D152-Q156 WeakPolarHBondContact O-CG 3.43Å; D152-Q156 PolarHBondContact O-N 3.43Å; Q156-K158 HydrophobicContact CB-CG 4.35Å; Q156-K158 PolarHBondContact O-N 3.27Å
157	G	78.8	Confident	70.8	Confident	56 Å²	56	101.3 Å²	101.3	58%	0.577	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	16.9	-176.6	0	0	0	0	0	114	L153 C154 R155 F159	L153-G157 PolarHBondContact O-N 3.33Å; C154-G157 PolarHBondContact O-N 3.3Å; R155-G157 PolarHBondContact O-N 3.21Å; G157-F159 PolarHBondContact O-N 2.98Å
158	K	78	Confident	69.8	Low	136 Å²	136	101.5 Å²	101.5	59%	0.591	48%	0.484	S	S	*	.	S	Bend	trans	-68.5	-24.8	174.5	-78.8	175.9	175.2	159.3	0	112.1	L153 Q156	L153-K158 HydrophobicContact CD2-CD 3.57Å; L153-K158 PolarHBondContact O-N 3.5Å; Q156-K158 HydrophobicContact CB-CG 4.35Å; Q156-K158 PolarHBondContact O-N 3.27Å
159	F	69.5	Low	68.5	Low	76 Å²	76	103.5 Å²	103.5	33%	0.333	49%	0.491	S	S	.	.	S	Bend	trans	-115.9	136.3	173.4	-64	-65.6	0	0	0	110.6	L153 G157	L153-F159 HydrophobicContact CB-CD2 3.64Å; L153-F159 HydrophobicContact CB-CE2 3.53Å; L153-F159 HydrophobicContact CD1-CE2 3.7Å; L153-F159 HydrophobicContact CD1-CZ 4.47Å; L153-F159 HydrophobicContact CG-CE2 4.1Å; G157-F159 PolarHBondContact O-N 2.98Å
160	L	70.3	Confident	67.3	Low	92 Å²	92	103 Å²	103	48%	0.482	49%	0.491	S	S	.	.			trans	-76.8	145.7	172.3	-62.4	109.1	0	0	0	109.4	W162 D163	L160-W162 VanDerWaalsContact C-N 3.26Å; L160-W162 HydrophobicContact CB-CD2 4Å; L160-W162 HydrophobicContact CB-CE3 4.26Å; L160-W162 HydrophobicContact CB-CH2 4.04Å; L160-W162 HydrophobicContact CB-CZ2 3.75Å; L160-W162 HydrophobicContact CB-CZ3 4.27Å; L160-W162 HydrophobicContact CD1-CZ2 4.43Å; L160-W162 HydrophobicContact CD2-CH2 3.21Å; L160-W162 HydrophobicContact CD2-CZ2 3.3Å; L160-W162 HydrophobicContact CD2-CZ3 4.03Å; L160-W162 HydrophobicContact CG-CH2 4.19Å; L160-W162 HydrophobicContact CG-CZ2 3.97Å; L160-W162 PolarHBondContact O-N 3.48Å; L160-D163 WeakPolarHBondContact O-CB 3.17Å; L160-D163 PolarHBondContact O-N 3.27Å
161	W	65.8	Low	66.3	Low	177 Å²	177	106.2 Å²	106.2	67%	0.67	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-63.7	-27.9	-169.8	68.2	-94	0	0	0	113.9	D163 R164	W161-D163 VanDerWaalsContact C-N 3.29Å; W161-R164 WeakPolarHBondContact O-CB 3.23Å; W161-R164 VanDerWaalsContact O-CD 3.23Å; W161-R164 WeakPolarHBondContact O-CD 3.41Å; W161-R164 WeakPolarHBondContact O-CG 3.22Å
162	W	67.9	Low	64.7	Low	161 Å²	161	104.4 Å²	104.4	61%	0.61	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-76	-17.2	174.9	58.6	81.9	0	0	0	113.1	L160 R164	L160-W162 VanDerWaalsContact C-N 3.26Å; L160-W162 HydrophobicContact CB-CD2 4Å; L160-W162 HydrophobicContact CB-CE3 4.26Å; L160-W162 HydrophobicContact CB-CH2 4.04Å; L160-W162 HydrophobicContact CB-CZ2 3.75Å; L160-W162 HydrophobicContact CB-CZ3 4.27Å; L160-W162 HydrophobicContact CD1-CZ2 4.43Å; L160-W162 HydrophobicContact CD2-CH2 3.21Å; L160-W162 HydrophobicContact CD2-CZ2 3.3Å; L160-W162 HydrophobicContact CD2-CZ3 4.03Å; L160-W162 HydrophobicContact CG-CH2 4.19Å; L160-W162 HydrophobicContact CG-CZ2 3.97Å; L160-W162 PolarHBondContact O-N 3.48Å; W162-R164 VanDerWaalsContact C-N 3.28Å
163	D	71.7	Confident	62.8	Low	71 Å²	71	103 Å²	103	38%	0.38	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-88.4	4.2	178.9	-147.3	3.7	0	0	0	112.4	L160 W161 N165 T166	L160-D163 WeakPolarHBondContact O-CB 3.17Å; L160-D163 PolarHBondContact O-N 3.27Å; W161-D163 VanDerWaalsContact C-N 3.29Å; D163-N165 PolarHBondContact O-N 3.13Å; D163-T166 PolarHBondContact O-N 3.36Å; D163-T166 PolarHBondContact O-OG1 2.95Å; D163-T166 PolarHBondContact OD1-OG1 3.31Å
164	R	64.3	Low	60.8	Low	135 Å²	135	105.8 Å²	105.8	51%	0.509	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-13.6	-179.4	-77	176.8	-177.7	175.8	2.2	114.8	Y150 W161 W162	Y150-R164 VanDerWaalsContact OH-CA 3.23Å; Y150-R164 WeakPolarHBondContact OH-CA 3.14Å; Y150-R164 WeakPolarHBondContact OH-CB 3.42Å; Y150-R164 PolarHBondContact OH-O 3.48Å; W161-R164 WeakPolarHBondContact O-CB 3.23Å; W161-R164 VanDerWaalsContact O-CD 3.23Å; W161-R164 WeakPolarHBondContact O-CD 3.41Å; W161-R164 WeakPolarHBondContact O-CG 3.22Å; W162-R164 VanDerWaalsContact C-N 3.28Å
165	N	61.6	Low	59.1	Low	94 Å²	94	112.8 Å²	112.8	50%	0.503	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-16.7	-173.6	-113.5	14.5	0	0	0	114.7	D163 A177	D163-N165 PolarHBondContact O-N 3.13Å; N165-A177 VanDerWaalsContact CG-CB 3.44Å; N165-A177 WeakPolarHBondContact ND2-CB 3.37Å; N165-A177 PolarHBondContact ND2-O 3.01Å; N165-A177 WeakPolarHBondContact OD1-CB 3.47Å
166	T	52.3	Low	57.1	Low	88 Å²	88	109 Å²	109	54%	0.54	56%	0.564	S	S	.	*	S	Bend	trans	-88.4	-20	-162.7	55.7	0	0	0	0	114.8	D163	D163-T166 PolarHBondContact O-N 3.36Å; D163-T166 PolarHBondContact O-OG1 2.95Å; D163-T166 PolarHBondContact OD1-OG1 3.31Å
167	R	49.2	Very low	54.9	Low	192 Å²	192	106 Å²	106	73%	0.725	56%	0.559	S	S	*	*			trans	-149.4	47	-170.5	-59.9	-173.6	-177.2	166.9	2.9	115.9	P169	R167-P169 WeakPolarHBondContact O-CD 3.39Å
168	M	49.6	Very low	52.8	Low	94 Å²	94	108.9 Å²	108.9	46%	0.463	56%	0.559	S	S	.	*			trans	-70.3	115.4	157.5	-70.9	-160.9	-151.2	0	0	108.7	T170	M168-T170 HydrophobicContact CB-CG2 4.28Å; M168-T170 PolarHBondContact O-N 3.38Å; M168-T170 HydrophobicContact SD-CG2 4.4Å
169	P	47	Very low	50.9	Low	74 Å²	74	112.4 Å²	112.4	48%	0.481	57%	0.57	S	S	.	*			trans	-79.5	62.7	165.7	36.8	-35.3	0	0	0	108.2	Q146 R167	Q146-P169 HydrophobicContact CB-CG 4Å; Q146-P169 HydrophobicContact CG-CG 4.41Å; R167-P169 WeakPolarHBondContact O-CD 3.39Å
170	T	50.2	Low	49.1	Very low	82 Å²	82	113.9 Å²	113.9	50%	0.503	59%	0.585	S	S	.	*			trans	-67.9	135.7	164.6	41.1	0	0	0	0	107.5	M168 G172	M168-T170 HydrophobicContact CB-CG2 4.28Å; M168-T170 PolarHBondContact O-N 3.38Å; M168-T170 HydrophobicContact SD-CG2 4.4Å; T170-G172 CarbonylContact O-C 3.54Å; T170-G172 PolarHBondContact O-N 3.1Å
171	C	48.1	Very low	47.3	Very low	104 Å²	104	117.6 Å²	117.6	70%	0.703	61%	0.605	S	S	*	*	S	Bend	trans	-63.1	22	-176.3	-65.1	0	0	0	0	115.5
172	G	41.2	Very low	45.9	Very low	52 Å²	52	117 Å²	117	54%	0.536	64%	0.638	S	S	.	*	S	Bend	trans	-144.4	97.6	168.2	0	0	0	0	0	105.9	T170	T170-G172 CarbonylContact O-C 3.54Å; T170-G172 PolarHBondContact O-N 3.1Å
173	G	37.9	Very low	44.8	Very low	53 Å²	53	114.8 Å²	114.8	55%	0.546	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-45.2	134	-157.4	0	0	0	0	0	115.2	H175	G173-H175 PolarHBondContact O-N 3.43Å
174	T	39.1	Very low	43.4	Very low	113 Å²	113	117.1 Å²	117.1	69%	0.693	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	22.2	53.9	157.9	55	0	0	0	0	115	K176	T174-K176 PolarHBondContact O-N 3.21Å
175	H	37.5	Very low	42.2	Very low	177 Å²	177	116.1 Å²	116.1	82%	0.819	66%	0.661	S	S	*	*			trans	-85.7	79.1	174.8	-128.4	-84.3	0	0	0	106.1	G173 A177	G173-H175 PolarHBondContact O-N 3.43Å; H175-A177 PolarHBondContact O-N 3.41Å
176	K	35	Very low	41.1	Very low	147 Å²	147	117.4 Å²	117.4	64%	0.639	67%	0.671	S	S	*	*			trans	33	90.8	156.3	-67.9	179	172.9	-176.1	0	113.4	T174 M178	T174-K176 PolarHBondContact O-N 3.21Å; K176-M178 HydrophobicContact CB-CB 4.4Å; K176-M178 HydrophobicContact CB-CG 4.05Å; K176-M178 HydrophobicContact CD-CE 3.89Å; K176-M178 HydrophobicContact CD-CG 4.38Å; K176-M178 HydrophobicContact CD-SD 3.88Å; K176-M178 HydrophobicContact CG-CG 4.5Å; K176-M178 PolarHBondContact O-N 3.18Å
177	A	37.8	Very low	40.4	Very low	52 Å²	52	119.3 Å²	119.3	43%	0.43	68%	0.679	S	S	.	*			trans	-64.4	68.3	146.1	0	0	0	0	0	108.5	N165 H175 Y179	N165-A177 VanDerWaalsContact CG-CB 3.44Å; N165-A177 WeakPolarHBondContact ND2-CB 3.37Å; N165-A177 PolarHBondContact ND2-O 3.01Å; N165-A177 WeakPolarHBondContact OD1-CB 3.47Å; H175-A177 PolarHBondContact O-N 3.41Å; A177-Y179 PolarHBondContact O-N 2.89Å
178	M	34.1	Very low	39.8	Very low	117 Å²	117	114.4 Å²	114.4	58%	0.576	68%	0.676	S	S	*	*			trans	-81.4	73.6	159	-83.2	-178.5	172.2	0	0	106.3	K176 T180	K176-M178 HydrophobicContact CB-CB 4.4Å; K176-M178 HydrophobicContact CB-CG 4.05Å; K176-M178 HydrophobicContact CD-CE 3.89Å; K176-M178 HydrophobicContact CD-CG 4.38Å; K176-M178 HydrophobicContact CD-SD 3.88Å; K176-M178 HydrophobicContact CG-CG 4.5Å; K176-M178 PolarHBondContact O-N 3.18Å; M178-T180 HydrophobicContact CG-CG2 4.42Å
179	Y	39.2	Very low	39.1	Very low	210 Å²	210	115.9 Å²	115.9	82%	0.824	69%	0.691	S	S	*	*			trans	-94.5	80.8	132.8	-68.6	-74.3	0	0	0	104.4	A177 N181	A177-Y179 PolarHBondContact O-N 2.89Å; Y179-N181 PolarHBondContact O-N 3.29Å; Y179-N181 VanDerWaalsContact O-N 3.08Å
180	T	32.4	Very low	38.5	Very low	107 Å²	107	119.1 Å²	119.1	66%	0.656	71%	0.707	S	S	*	*			trans	-54.1	109.9	155.8	41.1	0	0	0	0	105.9	M178 A182	M178-T180 HydrophobicContact CG-CG2 4.42Å; T180-A182 PolarHBondContact O-N 2.85Å
181	N	31.6	Very low	37.5	Very low	169 Å²	169	122.2 Å²	122.2	90%	0.904	72%	0.724	S	S	*	*			trans	-59.3	99.6	154.6	-68.2	-37.9	0	0	0	105.6	Y179	Y179-N181 PolarHBondContact O-N 3.29Å; Y179-N181 VanDerWaalsContact O-N 3.08Å
182	A	35.9	Very low	36.5	Very low	165 Å²	165	123.8 Å²	123.8	100%	1.364	73%	0.726	S	S	*	*			trans	-95.8	0	152.2	0	0	0	0	0	106.4	T180	T180-A182 PolarHBondContact O-N 2.85Å

Retrieved 182 of 182 residues in 39.2 ms (Link to these results)

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