A0A5K4EVU7_SCHMA Loading...

GOLD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EVU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 149 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	42.7	Very low	51.8	Low	252 Å²	252	144.6 Å²	144.6	100%	1.241	80%	0.799	S	S	*	*				0	98.2	0	-72.8	-97.5	-81.8	0	0	106.9
2	G	52.8	Low	51.1	Low	55 Å²	55	144.5 Å²	144.5	57%	0.567	80%	0.796	S	S	*	*			cis	-155.8	135.9	-3.3	0	0	0	0	0	107.6
3	E	50.3	Low	51.3	Low	174 Å²	174	144.6 Å²	144.6	81%	0.813	78%	0.784	S	S	*	*			trans	-90.6	135.8	177.7	-63	165.6	-176.4	0	0	107.9
4	F	56.4	Low	51.3	Low	196 Å²	196	149.3 Å²	149.3	86%	0.86	79%	0.794	S	S	*	*			trans	-133.5	96.4	165.5	-32.9	-75.9	0	0	0	108.5
5	E	52.8	Low	51.3	Low	153 Å²	153	148.1 Å²	148.1	72%	0.715	78%	0.782	S	S	*	*			trans	-66.8	129.7	172.8	-59.2	173.4	144.6	0	0	110.2	N7	E5-N7 PolarHBondContact O-N 3.32Å; E5-N7 VanDerWaalsContact O-N 3.14Å
6	T	63.4	Low	50.7	Low	149 Å²	149	147.1 Å²	147.1	91%	0.914	78%	0.784	S	S	*	*			trans	-80.7	89.8	167.5	50.1	0	0	0	0	109
7	N	54.2	Low	50.6	Low	122 Å²	122	148 Å²	148	65%	0.652	79%	0.787	S	S	*	*			trans	-76.8	119.5	171	-86.4	-66	0	0	0	111.5	E5	E5-N7 PolarHBondContact O-N 3.32Å; E5-N7 VanDerWaalsContact O-N 3.14Å
8	V	43.6	Very low	50.4	Low	120 Å²	120	145.1 Å²	145.1	73%	0.727	78%	0.781	S	S	*	*				31	122.6	127.8	-168.4	0	0	0	0	117.8
9	S	50.8	Low	50.5	Low	120 Å²	120	145.8 Å²	145.8	84%	0.839	78%	0.784	S	S	*	*			trans	-164.6	103.7	131	-110.4	0	0	0	0	112.3
10	N	49.2	Very low	50.6	Low	141 Å²	141	145.6 Å²	145.6	75%	0.754	78%	0.782	S	S	*	*			trans	-71.8	133.8	162.8	-159.2	17.9	0	0	0	108.7
11	P	54.2	Low	50.2	Low	109 Å²	109	145.9 Å²	145.9	71%	0.708	78%	0.783	S	S	*	*			trans	-114	85.4	160.3	33.5	-19.7	0	0	0	109	K13	P11-K13 PolarHBondContact O-N 3.43Å
12	D	42.5	Very low	50.5	Low	143 Å²	143	138.7 Å²	138.7	77%	0.765	76%	0.755	S	S	*	*			trans	-68.1	89.3	154.6	-156.9	4.2	0	0	0	106.7
13	K	53.6	Low	50.1	Low	146 Å²	146	141.4 Å²	141.4	64%	0.635	77%	0.766	S	S	*	*			trans	-149.6	72.8	177.3	-84.4	-161.1	172.5	-148.2	0	110.6	P11 E15	P11-K13 PolarHBondContact O-N 3.43Å; K13-E15 VanDerWaalsContact C-N 3.27Å; K13-E15 IonicContact NZ-OE1 2.99Å; K13-E15 PolarHBondContact NZ-OE1 3.22Å; K13-E15 PolarHBondContact O-N 2.88Å
14	F	52.3	Low	49.9	Very low	210 Å²	210	140 Å²	140	92%	0.921	76%	0.764	S	S	*	*			trans	-85.1	83.5	147.7	-76.9	-86.7	0	0	0	107	T16	F14-T16 PolarHBondContact O-N 2.91Å
15	E	50.2	Low	49.7	Very low	132 Å²	132	134.5 Å²	134.5	62%	0.617	75%	0.75	S	S	*	*			trans	-65.8	116.8	170.5	-93.6	169	-170.2	0	0	109.2	K13 L17	K13-E15 VanDerWaalsContact C-N 3.27Å; K13-E15 IonicContact NZ-OE1 2.99Å; K13-E15 PolarHBondContact NZ-OE1 3.22Å; K13-E15 PolarHBondContact O-N 2.88Å; E15-L17 PolarHBondContact O-N 3.39Å; E15-L17 VanDerWaalsContact O-N 3.16Å
16	T	41.7	Very low	49.7	Very low	132 Å²	132	134.5 Å²	134.5	81%	0.81	76%	0.755	S	S	*	*			trans	-51.1	103.3	163.7	43.5	0	0	0	0	111.2	F14 S18	F14-T16 PolarHBondContact O-N 2.91Å; T16-S18 VanDerWaalsContact C-N 3.33Å; T16-S18 PolarHBondContact O-N 3.1Å
17	L	49.3	Very low	49	Very low	162 Å²	162	136.4 Å²	136.4	85%	0.848	75%	0.753	S	S	*	*			trans	-86.2	82	163.3	-67.2	179.6	0	0	0	109.1	E15	E15-L17 PolarHBondContact O-N 3.39Å; E15-L17 VanDerWaalsContact O-N 3.16Å
18	S	46.8	Very low	48.9	Very low	95 Å²	95	137.8 Å²	137.8	66%	0.664	76%	0.759	S	S	*	*			trans	-81.9	108.8	158.1	-164.5	0	0	0	0	107.1	T16	T16-S18 VanDerWaalsContact C-N 3.33Å; T16-S18 PolarHBondContact O-N 3.1Å
19	L	52.2	Low	49.1	Very low	160 Å²	160	140.6 Å²	140.6	84%	0.838	76%	0.764	S	S	*	*			trans	-116.9	98.9	171.5	-139	128.9	0	0	0	107.1	D21	L19-D21 PolarHBondContact O-N 3.44Å
20	N	52.6	Low	48.9	Very low	140 Å²	140	143.6 Å²	143.6	75%	0.749	77%	0.765	S	S	*	*			trans	-66.2	120.4	173.6	-64.5	-61.2	0	0	0	110.2
21	D	42.5	Very low	48.8	Very low	152 Å²	152	143 Å²	143	81%	0.813	77%	0.766	S	S	*	*			trans	15.6	169.3	132.2	-111.2	-5.8	0	0	0	121.5	L19	L19-D21 PolarHBondContact O-N 3.44Å
22	P	49.2	Very low	48.5	Very low	101 Å²	101	142.6 Å²	142.6	66%	0.656	77%	0.766	S	S	*	*			cis	-144.4	-172.4	-0	32.5	-7.8	0	0	0	116.5
23	S	43.8	Very low	48.9	Very low	113 Å²	113	141.3 Å²	141.3	79%	0.79	76%	0.763	S	S	*	*			trans	76.7	129.6	164.9	-66.6	0	0	0	0	116
24	D	46.1	Very low	48.6	Very low	143 Å²	143	144.2 Å²	144.2	77%	0.765	77%	0.77	S	S	*	*			cis	-162	140.1	41.7	-148.2	-22.5	0	0	0	111.5
25	S	52.3	Low	48.7	Very low	81 Å²	81	139.1 Å²	139.1	57%	0.566	76%	0.756	S	S	*	*			trans	42.8	125.3	149	43.6	0	0	0	0	124.8
26	N	53.9	Low	48.7	Very low	154 Å²	154	141.4 Å²	141.4	82%	0.824	76%	0.764	S	S	*	*			trans	80.1	95.3	133.8	-58.9	-13.9	0	0	0	120.6
27	E	47.7	Very low	49.1	Very low	189 Å²	189	143.3 Å²	143.3	88%	0.883	76%	0.764	S	S	*	*				-167.5	108.3	115.1	-128.8	176.7	163.2	0	0	110.8
28	I	53.1	Low	48.8	Very low	151 Å²	151	138.6 Å²	138.6	77%	0.774	75%	0.754	S	S	*	*			trans	-85.1	113.6	171.7	23.3	169.4	0	0	0	108.3
29	H	47.4	Very low	48.8	Very low	179 Å²	179	143.5 Å²	143.5	83%	0.829	76%	0.764	S	S	*	*			trans	-141.9	94.7	143.2	-89.4	-67.6	0	0	0	108.7	T31	H29-T31 PolarHBondContact O-N 3.02Å
30	E	46.8	Very low	48.9	Very low	183 Å²	183	140.8 Å²	140.8	86%	0.855	76%	0.757	S	S	*	*			trans	-58	97.8	169.3	-72.7	-179.2	118.8	0	0	110.4	S32	E30-S32 PolarHBondContact O-N 3Å
31	T	46.6	Very low	48.8	Very low	128 Å²	128	141.6 Å²	141.6	79%	0.785	76%	0.761	S	S	*	*			trans	-86.1	77.1	150.2	48.7	0	0	0	0	107.8	H29 V33	H29-T31 PolarHBondContact O-N 3.02Å; T31-V33 PolarHBondContact O-N 3.41Å
32	S	49	Very low	49.5	Very low	100 Å²	100	139 Å²	139	70%	0.699	75%	0.747	S	S	*	*			trans	-67.1	85.4	162.3	-174	0	0	0	0	107.5	E30 R34	E30-S32 PolarHBondContact O-N 3Å; S32-R34 PolarHBondContact O-N 3.17Å
33	V	49.9	Very low	49.8	Very low	116 Å²	116	142.5 Å²	142.5	70%	0.703	76%	0.755	S	S	*	*			trans	-68	87.4	163.8	179.1	0	0	0	0	105.5	T31 V35	T31-V33 PolarHBondContact O-N 3.41Å; V33-V35 HydrophobicContact CG1-CG2 4.11Å; V33-V35 PolarHBondContact O-N 3.45Å
34	R	46.4	Very low	50.4	Low	207 Å²	207	140 Å²	140	78%	0.781	75%	0.747	S	S	*	*			trans	-61.7	89.1	162.9	-176.7	-174.8	-110	-129.9	2.1	106.2	S32 K36	S32-R34 PolarHBondContact O-N 3.17Å; R34-K36 PolarHBondContact O-N 3.46Å
35	V	54.9	Low	52	Low	104 Å²	104	136.2 Å²	136.2	63%	0.63	73%	0.727	S	S	*	*			trans	-60.3	99	161	-172.8	0	0	0	0	104.1	V33 E37	V33-V35 HydrophobicContact CG1-CG2 4.11Å; V33-V35 PolarHBondContact O-N 3.45Å; V35-E37 HydrophobicContact CG1-CG 3.85Å; V35-E37 PolarHBondContact O-N 2.97Å
36	K	49.8	Very low	53.4	Low	180 Å²	180	137.7 Å²	137.7	78%	0.783	73%	0.728	S	S	*	*			trans	-64.2	85.5	157.9	-73.1	-177.1	-179.3	-179.5	0	104.3	R34 G38	R34-K36 PolarHBondContact O-N 3.46Å; K36-G38 PolarHBondContact O-N 3.14Å
37	E	50.6	Low	55	Low	172 Å²	172	131.8 Å²	131.8	80%	0.804	70%	0.704	S	S	*	*			trans	-62.3	93.6	158.7	-84.7	178.7	166.8	0	0	105	V35 F39	V35-E37 HydrophobicContact CG1-CG 3.85Å; V35-E37 PolarHBondContact O-N 2.97Å; E37-F39 VanDerWaalsContact C-N 3.26Å; E37-F39 PolarHBondContact O-N 3.39Å
38	G	44.2	Very low	57	Low	63 Å²	63	127.3 Å²	127.3	65%	0.649	68%	0.682	S	S	*	*			trans	-58.4	102.7	158.9	0	0	0	0	0	105.5	K36 C40	K36-G38 PolarHBondContact O-N 3.14Å; G38-C40 PolarHBondContact O-N 3.49Å
39	F	45.1	Very low	58.8	Low	198 Å²	198	124.6 Å²	124.6	87%	0.868	67%	0.665	S	S	*	*			trans	-63.4	92.9	162.9	-148.2	-93.9	0	0	0	104.8	E37 D41	E37-F39 VanDerWaalsContact C-N 3.26Å; E37-F39 PolarHBondContact O-N 3.39Å; F39-D41 PolarHBondContact O-N 2.89Å
40	C	55.7	Low	61	Low	102 Å²	102	120 Å²	120	69%	0.689	64%	0.644	S	S	*	*			trans	-60.4	133.4	170.8	-72.3	0	0	0	0	107.2	G38 D42	G38-C40 PolarHBondContact O-N 3.49Å; C40-D42 PolarHBondContact O-N 2.91Å
41	D	49.3	Very low	63.2	Low	157 Å²	157	116.1 Å²	116.1	84%	0.84	63%	0.628	S	S	*	*			trans	-64.9	64.9	173.5	-66.7	-57.1	0	0	0	111.1	F39 Q43	F39-D41 PolarHBondContact O-N 2.89Å; D41-Q43 PolarHBondContact O-N 3.08Å; D41-Q43 VanDerWaalsContact O-N 3.09Å
42	D	58.5	Low	65.6	Low	97 Å²	97	115.3 Å²	115.3	52%	0.519	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.1	3.5	-176.6	-138.3	24.2	0	0	0	112.7	C40 G44 D45 L46	C40-D42 PolarHBondContact O-N 2.91Å; D42-G44 VanDerWaalsContact C-N 3.28Å; D42-G44 PolarHBondContact O-N 3.26Å; D42-D45 PolarHBondContact O-N 3.39Å; D42-L46 PolarHBondContact O-N 3.02Å
43	Q	54.2	Low	67.8	Low	176 Å²	176	113.1 Å²	113.1	82%	0.822	60%	0.595	S	S	*	*	H	α-helix	trans	-67.3	-29.5	-176.9	-146.2	175.8	46	0	0	112.2	D41	D41-Q43 PolarHBondContact O-N 3.08Å; D41-Q43 VanDerWaalsContact O-N 3.09Å
44	G	57.6	Low	70	Confident	60 Å²	60	111 Å²	111	62%	0.619	58%	0.577	S	S	*	*	H	α-helix	trans	-71.3	-31.4	176.7	0	0	0	0	0	113.8	D42 Q48	D42-G44 VanDerWaalsContact C-N 3.28Å; D42-G44 PolarHBondContact O-N 3.26Å; G44-Q48 PolarHBondContact O-N 3.49Å
45	D	79.1	Confident	72.4	Confident	64 Å²	64	104.9 Å²	104.9	34%	0.342	57%	0.565	S	S	.	*	H	α-helix	trans	-76.1	-39.3	-177.8	-176.9	42.8	0	0	0	111.6	D42 Q48 K49	D42-D45 PolarHBondContact O-N 3.39Å; D45-Q48 PolarHBondContact O-N 3.25Å; D45-K49 WeakPolarHBondContact O-CG 3.27Å; D45-K49 PolarHBondContact O-N 2.82Å; D45-K49 WeakPolarHBondContact OD1-CE 3.43Å; D45-K49 IonicContact OD1-NZ 2.81Å; D45-K49 VanDerWaalsContact OD2-CE 3.22Å; D45-K49 WeakPolarHBondContact OD2-CE 3.42Å; D45-K49 IonicContact OD2-NZ 2.69Å; D45-K49 PolarHBondContact OD2-NZ 3.43Å
46	L	80.8	Confident	74.4	Confident	111 Å²	111	102.8 Å²	102.8	58%	0.581	56%	0.559	S	S	*	*	H	α-helix	trans	-65	-43.9	178.2	-68.7	176.6	0	0	0	112.6	D42 Q48 K49 E50	D42-L46 PolarHBondContact O-N 3.02Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 3.3Å; L46-K49 PolarHBondContact O-N 3.4Å; L46-E50 PolarHBondContact O-N 3.28Å
47	G	87.8	Confident	76.6	Confident	31 Å²	31	94.7 Å²	94.7	32%	0.32	53%	0.525	S	S	.	.	H	α-helix	trans	-63.4	-39	178.3	0	0	0	0	0	112.5	E50 I51	G47-E50 WeakPolarHBondContact O-CB 3.49Å; G47-E50 PolarHBondContact O-N 3.39Å; G47-I51 WeakPolarHBondContact O-CG1 3.29Å; G47-I51 PolarHBondContact O-N 3.42Å; G47-I51 VanDerWaalsContact O-N 3.12Å
48	Q	91	Very high	78.8	Confident	94 Å²	94	89 Å²	89	44%	0.439	50%	0.501	S	S	.	.	H	α-helix	trans	-65.5	-44.2	176.4	-178.1	55.3	41.4	0	0	111.6	G44 D45 L46 E50 I51 E52	G44-Q48 PolarHBondContact O-N 3.49Å; D45-Q48 PolarHBondContact O-N 3.25Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 3.3Å; Q48-E50 VanDerWaalsContact C-N 3.31Å; Q48-E50 PolarHBondContact O-N 3.27Å; Q48-I51 PolarHBondContact O-N 3.49Å; Q48-E52 WeakPolarHBondContact CG-OE1 3.48Å; Q48-E52 PolarHBondContact NE2-OE1 3.29Å; Q48-E52 WeakPolarHBondContact O-CG 3.31Å; Q48-E52 PolarHBondContact O-N 3.08Å
49	K	91	Very high	81.3	Confident	94 Å²	94	92.5 Å²	92.5	41%	0.409	50%	0.501	S	S	.	.	H	α-helix	trans	-61.1	-39.5	174.6	-73.9	169	176.9	168.1	0	112.4	D45 L46 I51 E52 I53	D45-K49 WeakPolarHBondContact O-CG 3.27Å; D45-K49 PolarHBondContact O-N 2.82Å; D45-K49 WeakPolarHBondContact OD1-CE 3.43Å; D45-K49 IonicContact OD1-NZ 2.81Å; D45-K49 VanDerWaalsContact OD2-CE 3.22Å; D45-K49 WeakPolarHBondContact OD2-CE 3.42Å; D45-K49 IonicContact OD2-NZ 2.69Å; D45-K49 PolarHBondContact OD2-NZ 3.43Å; L46-K49 PolarHBondContact O-N 3.4Å; K49-I51 VanDerWaalsContact C-N 3.33Å; K49-I51 PolarHBondContact O-N 3.44Å; K49-E52 PolarHBondContact O-N 3.02Å; K49-I53 VanDerWaalsContact O-CG1 3.29Å; K49-I53 WeakPolarHBondContact O-CG1 3.32Å; K49-I53 PolarHBondContact O-N 2.92Å
50	E	92.7	Very high	83.8	Confident	83 Å²	83	89.6 Å²	89.6	39%	0.388	49%	0.49	S	S	.	.	H	α-helix	trans	-58.6	-47	175.6	-165.6	-167.9	139.6	0	0	111.2	L46 G47 Q48 E52 I53 K54 F92	L46-E50 PolarHBondContact O-N 3.28Å; G47-E50 WeakPolarHBondContact O-CB 3.49Å; G47-E50 PolarHBondContact O-N 3.39Å; Q48-E50 VanDerWaalsContact C-N 3.31Å; Q48-E50 PolarHBondContact O-N 3.27Å; E50-E52 VanDerWaalsContact C-N 3.34Å; E50-E52 PolarHBondContact O-N 3.28Å; E50-I53 PolarHBondContact O-N 3.27Å; E50-K54 HydrophobicContact CG-CD 4.47Å; E50-K54 WeakPolarHBondContact O-CB 3.43Å; E50-K54 WeakPolarHBondContact O-CG 3.41Å; E50-K54 PolarHBondContact O-N 3.43Å; E50-K54 WeakPolarHBondContact OE1-CE 3.46Å; E50-K54 IonicContact OE1-NZ 3.48Å; E50-K54 PolarHBondContact OE1-NZ 3.03Å; E50-F92 HydrophobicContact CG-CE1 4.27Å; E50-F92 HydrophobicContact CG-CE2 4.33Å; E50-F92 HydrophobicContact CG-CZ 3.56Å
51	I	94.1	Very high	85.7	Confident	102 Å²	102	85.2 Å²	85.2	52%	0.523	46%	0.46	S	S	.	.	H	α-helix	trans	-61.5	-43	177.6	-67.1	165.6	0	0	0	110.8	G47 Q48 K49 K54 S55	G47-I51 WeakPolarHBondContact O-CG1 3.29Å; G47-I51 PolarHBondContact O-N 3.42Å; G47-I51 VanDerWaalsContact O-N 3.12Å; Q48-I51 PolarHBondContact O-N 3.49Å; K49-I51 VanDerWaalsContact C-N 3.33Å; K49-I51 PolarHBondContact O-N 3.44Å; I51-K54 PolarHBondContact O-N 3.06Å; I51-S55 WeakPolarHBondContact O-CB 3.07Å; I51-S55 PolarHBondContact O-N 3.28Å
52	E	95.3	Very high	87.9	Confident	110 Å²	110	81.9 Å²	81.9	51%	0.514	44%	0.438	S	S	.	.	H	α-helix	trans	-62.8	-45.3	177.5	-73.4	170.7	-162.2	0	0	112.2	Q48 K49 E50 S55 A56	Q48-E52 WeakPolarHBondContact CG-OE1 3.48Å; Q48-E52 PolarHBondContact NE2-OE1 3.29Å; Q48-E52 WeakPolarHBondContact O-CG 3.31Å; Q48-E52 PolarHBondContact O-N 3.08Å; K49-E52 PolarHBondContact O-N 3.02Å; E50-E52 VanDerWaalsContact C-N 3.34Å; E50-E52 PolarHBondContact O-N 3.28Å; E52-S55 PolarHBondContact O-N 3.44Å; E52-A56 WeakPolarHBondContact O-CB 3.47Å; E52-A56 PolarHBondContact O-N 3.22Å
53	I	95.2	Very high	89.8	Confident	54 Å²	54	83.2 Å²	83.2	28%	0.277	45%	0.445	S	S	.	.	H	α-helix	trans	-61.5	-49	175.8	-68.5	161.7	0	0	0	110	K49 E50 S55 A56 L57 F92 Y95	K49-I53 VanDerWaalsContact O-CG1 3.29Å; K49-I53 WeakPolarHBondContact O-CG1 3.32Å; K49-I53 PolarHBondContact O-N 2.92Å; E50-I53 PolarHBondContact O-N 3.27Å; I53-S55 VanDerWaalsContact C-N 3.33Å; I53-S55 PolarHBondContact O-N 2.75Å; I53-A56 PolarHBondContact O-N 2.94Å; I53-L57 HydrophobicContact CG2-CD1 3.96Å; I53-L57 HydrophobicContact CG2-CG 4.32Å; I53-L57 WeakPolarHBondContact O-CG 3.44Å; I53-L57 PolarHBondContact O-N 3.17Å; I53-F92 HydrophobicContact CB-CE2 4.31Å; I53-F92 HydrophobicContact CG2-CD2 4.16Å; I53-F92 HydrophobicContact CG2-CE2 3.75Å; I53-Y95 HydrophobicContact CG2-CD1 3.89Å; I53-Y95 HydrophobicContact CG2-CE1 3.56Å
54	K	96.3	Very high	91.8	Very high	72 Å²	72	80.2 Å²	80.2	31%	0.313	43%	0.434	S	S	.	.	H	α-helix	trans	-55.5	-49.1	176.9	-79.3	179	169.4	168.5	0	111	E50 I51 A56 L57 V58 F92	E50-K54 HydrophobicContact CG-CD 4.47Å; E50-K54 WeakPolarHBondContact O-CB 3.43Å; E50-K54 WeakPolarHBondContact O-CG 3.41Å; E50-K54 PolarHBondContact O-N 3.43Å; E50-K54 WeakPolarHBondContact OE1-CE 3.46Å; E50-K54 IonicContact OE1-NZ 3.48Å; E50-K54 PolarHBondContact OE1-NZ 3.03Å; I51-K54 PolarHBondContact O-N 3.06Å; K54-A56 VanDerWaalsContact C-N 3.33Å; K54-A56 PolarHBondContact O-N 3.49Å; K54-L57 PolarHBondContact O-N 3.07Å; K54-V58 WeakPolarHBondContact O-CG2 3.28Å; K54-V58 PolarHBondContact O-N 3.34Å; K54-F92 HydrophobicContact CD-CD2 4.46Å; K54-F92 HydrophobicContact CD-CE1 4.5Å; K54-F92 HydrophobicContact CD-CE2 4.4Å; K54-F92 HydrophobicContact CD-CZ 4.41Å; K54-F92 VanDerWaalsContact CE-CD1 3.4Å; K54-F92 HydrophobicContact CG-CD1 4.38Å; K54-F92 HydrophobicContact CG-CD2 3.49Å; K54-F92 VanDerWaalsContact CG-CD2 3.49Å; K54-F92 HydrophobicContact CG-CE1 4.44Å; K54-F92 HydrophobicContact CG-CE2 3.57Å; K54-F92 HydrophobicContact CG-CG 3.92Å; K54-F92 HydrophobicContact CG-CZ 4.06Å
55	S	96.4	Very high	93.8	Very high	78 Å²	78	78.9 Å²	78.9	55%	0.545	41%	0.41	S	S	.	.	H	α-helix	trans	-60.9	-40.6	179.2	-173	0	0	0	0	112.6	I51 E52 I53 Q59	I51-S55 WeakPolarHBondContact O-CB 3.07Å; I51-S55 PolarHBondContact O-N 3.28Å; E52-S55 PolarHBondContact O-N 3.44Å; I53-S55 VanDerWaalsContact C-N 3.33Å; I53-S55 PolarHBondContact O-N 2.75Å; S55-Q59 WeakPolarHBondContact O-CB 3.45Å; S55-Q59 PolarHBondContact O-N 2.99Å
56	A	96.9	Very high	94.7	Very high	60 Å²	60	79.2 Å²	79.2	50%	0.496	41%	0.41	S	S	.	.	H	α-helix	trans	-65.9	-43.8	178.3	0	0	0	0	0	111.7	E52 I53 K54 Q59 Q60	E52-A56 WeakPolarHBondContact O-CB 3.47Å; E52-A56 PolarHBondContact O-N 3.22Å; I53-A56 PolarHBondContact O-N 2.94Å; K54-A56 VanDerWaalsContact C-N 3.33Å; K54-A56 PolarHBondContact O-N 3.49Å; A56-Q59 PolarHBondContact O-N 2.91Å; A56-Q60 WeakPolarHBondContact O-CB 3.32Å; A56-Q60 PolarHBondContact O-N 2.92Å
57	L	97	Very high	95.5	Very high	11 Å²	11	78.6 Å²	78.6	6%	0.058	40%	0.404	C	S	.	.	H	α-helix	trans	-65.3	-41.3	177.6	-65.6	176.1	0	0	0	111.7	I53 K54 Q59 Q60 T61 Y91 F92 Y95	I53-L57 HydrophobicContact CG2-CD1 3.96Å; I53-L57 HydrophobicContact CG2-CG 4.32Å; I53-L57 WeakPolarHBondContact O-CG 3.44Å; I53-L57 PolarHBondContact O-N 3.17Å; K54-L57 PolarHBondContact O-N 3.07Å; L57-Q59 VanDerWaalsContact C-N 3.31Å; L57-Q59 PolarHBondContact O-N 3.26Å; L57-Q60 PolarHBondContact O-N 3.46Å; L57-T61 PolarHBondContact O-N 3.45Å; L57-T61 PolarHBondContact O-OG1 3.27Å; L57-Y91 HydrophobicContact CB-CD1 4.14Å; L57-Y91 HydrophobicContact CB-CE1 4.09Å; L57-Y91 HydrophobicContact CD1-CD1 4.43Å; L57-Y91 HydrophobicContact CD2-CD1 4.36Å; L57-Y91 HydrophobicContact CD2-CE1 3.66Å; L57-Y91 HydrophobicContact CG-CE1 4.28Å; L57-F92 HydrophobicContact CD1-CB 4.47Å; L57-F92 HydrophobicContact CD1-CD2 3.9Å; L57-Y95 HydrophobicContact CD1-CD1 3.83Å; L57-Y95 HydrophobicContact CD1-CD2 4.5Å; L57-Y95 HydrophobicContact CD1-CG 3.82Å; L57-Y95 HydrophobicContact CD2-CD1 4.49Å; L57-Y95 HydrophobicContact CD2-CD2 3.91Å; L57-Y95 HydrophobicContact CD2-CE2 4.19Å; L57-Y95 HydrophobicContact CD2-CG 4.07Å
58	V	96.7	Very high	96	Very high	52 Å²	52	82.2 Å²	82.2	32%	0.315	41%	0.409	S	S	.	.	H	α-helix	trans	-56.3	-47.7	172.7	168.2	0	0	0	0	110.6	K54 Q60 T61 K62 Q88	K54-V58 WeakPolarHBondContact O-CG2 3.28Å; K54-V58 PolarHBondContact O-N 3.34Å; V58-Q60 VanDerWaalsContact C-N 3.29Å; V58-Q60 PolarHBondContact O-N 2.96Å; V58-T61 PolarHBondContact O-N 2.92Å; V58-K62 WeakPolarHBondContact O-CA 3.43Å; V58-K62 WeakPolarHBondContact O-CB 3.38Å; V58-K62 PolarHBondContact O-N 3.41Å; V58-Q88 HydrophobicContact CG2-CG 4.15Å
59	Q	97	Very high	96.3	Very high	137 Å²	137	77.7 Å²	77.7	64%	0.64	39%	0.388	S	S	*	.	H	α-helix	trans	-64.1	-35.5	179.9	-174.8	57.9	54.8	0	0	112.2	S55 A56 L57	S55-Q59 WeakPolarHBondContact O-CB 3.45Å; S55-Q59 PolarHBondContact O-N 2.99Å; A56-Q59 PolarHBondContact O-N 2.91Å; L57-Q59 VanDerWaalsContact C-N 3.31Å; L57-Q59 PolarHBondContact O-N 3.26Å
60	Q	96.8	Very high	96.6	Very high	137 Å²	137	80 Å²	80	64%	0.64	39%	0.394	S	S	*	.	H	α-helix	trans	-69.8	-36.5	178.1	-176.7	-178.9	-5.7	0	0	112.7	A56 L57 V58	A56-Q60 WeakPolarHBondContact O-CB 3.32Å; A56-Q60 PolarHBondContact O-N 2.92Å; L57-Q60 PolarHBondContact O-N 3.46Å; V58-Q60 VanDerWaalsContact C-N 3.29Å; V58-Q60 PolarHBondContact O-N 2.96Å
61	T	96.6	Very high	96.9	Very high	10 Å²	10	81.4 Å²	81.4	6%	0.061	40%	0.401	C	S	.	.	H	α-helix	trans	-101.2	-5.4	-173.5	60	0	0	0	0	114.3	L57 V58 D63 L64 Y65 Y91	L57-T61 PolarHBondContact O-N 3.45Å; L57-T61 PolarHBondContact O-OG1 3.27Å; V58-T61 PolarHBondContact O-N 2.92Å; T61-D63 PolarHBondContact O-N 3.29Å; T61-L64 PolarHBondContact O-N 3.39Å; T61-Y65 HydrophobicContact CG2-CE1 4.4Å; T61-Y65 HydrophobicContact CG2-CE2 4.13Å; T61-Y65 PolarHBondContact O-N 2.91Å; T61-Y65 WeakPolarHBondContact OG1-CD2 3.4Å; T61-Y65 WeakPolarHBondContact OG1-CE2 3.46Å; T61-Y91 HydrophobicContact CG2-CD1 3.71Å; T61-Y91 HydrophobicContact CG2-CE1 3.46Å; T61-Y91 VanDerWaalsContact CG2-CE1 3.46Å
62	K	95.9	Very high	97	Very high	87 Å²	87	81.1 Å²	81.1	38%	0.378	40%	0.397	S	S	.	.	H	α-helix	trans	-45.4	-61.5	-172.3	-174.4	179.9	178.7	-177.1	0	113.6	V58 L64 Y65 E66	V58-K62 WeakPolarHBondContact O-CA 3.43Å; V58-K62 WeakPolarHBondContact O-CB 3.38Å; V58-K62 PolarHBondContact O-N 3.41Å; K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 PolarHBondContact O-N 3.28Å; K62-Y65 PolarHBondContact O-N 2.92Å; K62-E66 WeakPolarHBondContact CE-OE1 3.44Å; K62-E66 HydrophobicContact CG-CG 4.38Å; K62-E66 WeakPolarHBondContact CG-OE1 3.4Å; K62-E66 WeakPolarHBondContact O-CB 3.41Å; K62-E66 VanDerWaalsContact O-CG 3.32Å; K62-E66 WeakPolarHBondContact O-CG 3.22Å; K62-E66 PolarHBondContact O-N 2.88Å
63	D	97	Very high	97.1	Very high	125 Å²	125	79.1 Å²	79.1	67%	0.668	39%	0.387	S	S	*	.	H	α-helix	trans	-63.9	-40	-172.9	-65	-23.2	0	0	0	111.8	T61 Q67	T61-D63 PolarHBondContact O-N 3.29Å; D63-Q67 VanDerWaalsContact O-CB 3.26Å; D63-Q67 WeakPolarHBondContact O-CB 3.35Å; D63-Q67 PolarHBondContact O-N 2.94Å
64	L	97.7	Very high	97.2	Very high	112 Å²	112	81.1 Å²	81.1	59%	0.586	40%	0.403	S	S	*	.	H	α-helix	trans	-63.2	-48.4	178.4	176.8	64	0	0	0	111.2	T61 K62 Q67 Y68	T61-L64 PolarHBondContact O-N 3.39Å; K62-L64 VanDerWaalsContact C-N 3.32Å; K62-L64 PolarHBondContact O-N 3.28Å; L64-Q67 PolarHBondContact O-N 3.42Å; L64-Y68 WeakPolarHBondContact O-CB 3.31Å; L64-Y68 PolarHBondContact O-N 3.22Å
65	Y	98.2	Very high	97.2	Very high	32 Å²	32	87.8 Å²	87.8	13%	0.125	43%	0.432	C	S	.	.	H	α-helix	trans	-72.6	-38	-176.9	-72.6	2.2	0	0	0	111.9	T61 K62 Y68 A69 M87 Q88 Y91	T61-Y65 HydrophobicContact CG2-CE1 4.4Å; T61-Y65 HydrophobicContact CG2-CE2 4.13Å; T61-Y65 PolarHBondContact O-N 2.91Å; T61-Y65 WeakPolarHBondContact OG1-CD2 3.4Å; T61-Y65 WeakPolarHBondContact OG1-CE2 3.46Å; K62-Y65 PolarHBondContact O-N 2.92Å; Y65-Y68 PolarHBondContact O-N 2.95Å; Y65-A69 WeakPolarHBondContact O-CB 3.48Å; Y65-A69 PolarHBondContact O-N 3.3Å; Y65-M87 HydrophobicContact CD1-CE 3.93Å; Y65-M87 HydrophobicContact CD1-SD 4.23Å; Y65-M87 HydrophobicContact CD2-CB 3.89Å; Y65-M87 HydrophobicContact CD2-CE 4.11Å; Y65-M87 HydrophobicContact CE1-SD 4.48Å; Y65-M87 HydrophobicContact CE2-CB 3.71Å; Y65-M87 HydrophobicContact CG-CB 4.39Å; Y65-M87 HydrophobicContact CG-CE 3.62Å; Y65-M87 HydrophobicContact CG-SD 4.43Å; Y65-Q88 HydrophobicContact CD2-CG 3.98Å; Y65-Q88 HydrophobicContact CE2-CG 4.15Å; Y65-Y91 WeakPolarHBondContact OH-CB 3.3Å
66	E	97.6	Very high	97.2	Very high	72 Å²	72	86.7 Å²	86.7	34%	0.336	42%	0.42	S	S	.	.	H	α-helix	trans	-64.8	-38.2	172.8	-74.6	-179.3	-175.7	0	0	112.2	K62 R70 I84	K62-E66 WeakPolarHBondContact CE-OE1 3.44Å; K62-E66 HydrophobicContact CG-CG 4.38Å; K62-E66 WeakPolarHBondContact CG-OE1 3.4Å; K62-E66 WeakPolarHBondContact O-CB 3.41Å; K62-E66 VanDerWaalsContact O-CG 3.32Å; K62-E66 WeakPolarHBondContact O-CG 3.22Å; K62-E66 PolarHBondContact O-N 2.88Å; E66-R70 WeakPolarHBondContact O-CB 3.49Å; E66-R70 VanDerWaalsContact O-CG 3.27Å; E66-R70 WeakPolarHBondContact O-CG 3.48Å; E66-R70 PolarHBondContact O-N 2.99Å; E66-R70 VanDerWaalsContact O-N 3.1Å; E66-R70 PolarHBondContact O-NE 3.05Å; E66-I84 HydrophobicContact CG-CD1 3.92Å
67	Q	97.9	Very high	97.2	Very high	98 Å²	98	89.1 Å²	89.1	46%	0.458	43%	0.425	S	S	.	.	H	α-helix	trans	-64.3	-53.2	173.4	179.6	178.4	-7.6	0	0	111	D63 L64 A69 R70 E71	D63-Q67 VanDerWaalsContact O-CB 3.26Å; D63-Q67 WeakPolarHBondContact O-CB 3.35Å; D63-Q67 PolarHBondContact O-N 2.94Å; L64-Q67 PolarHBondContact O-N 3.42Å; Q67-A69 VanDerWaalsContact C-N 3.3Å; Q67-A69 PolarHBondContact O-N 3.04Å; Q67-R70 PolarHBondContact O-N 3.28Å; Q67-R70 VanDerWaalsContact O-N 3.15Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.43Å; Q67-E71 PolarHBondContact NE2-OE1 3.02Å; Q67-E71 WeakPolarHBondContact O-CG 3.34Å; Q67-E71 PolarHBondContact O-N 2.99Å
68	Y	98.2	Very high	97.3	Very high	106 Å²	106	94.5 Å²	94.5	42%	0.416	45%	0.449	S	S	.	.	H	α-helix	trans	-58.5	-43.2	-179.3	-177.6	-105.3	0	0	0	111.6	L64 Y65 R70 E71 Q72 L83 M87	L64-Y68 WeakPolarHBondContact O-CB 3.31Å; L64-Y68 PolarHBondContact O-N 3.22Å; Y65-Y68 PolarHBondContact O-N 2.95Å; Y68-R70 PolarHBondContact O-N 3.47Å; Y68-E71 WeakPolarHBondContact O-CB 3.29Å; Y68-E71 PolarHBondContact O-N 3.23Å; Y68-E71 VanDerWaalsContact O-N 3.16Å; Y68-Q72 HydrophobicContact CD1-CG 4.19Å; Y68-Q72 HydrophobicContact CE1-CG 3.83Å; Y68-Q72 HydrophobicContact CE2-CG 4.29Å; Y68-Q72 WeakPolarHBondContact O-CG 3.44Å; Y68-Q72 PolarHBondContact O-N 3.46Å; Y68-L83 HydrophobicContact CD1-CD2 4.11Å; Y68-L83 HydrophobicContact CE1-CD2 4.09Å; Y68-M87 HydrophobicContact CD1-CE 3.95Å; Y68-M87 HydrophobicContact CD1-SD 3.57Å; Y68-M87 VanDerWaalsContact CD1-SD 3.57Å; Y68-M87 HydrophobicContact CE1-SD 3.92Å
69	A	98.1	Very high	97.3	Very high	0 Å²	0	97.1 Å²	97.1	0%	0	46%	0.456	C	S	.	.	H	α-helix	trans	-63	-41.9	177.6	0	0	0	0	0	112.6	Y65 Q67 E71 Q72 F73 Q80 L83 I84	Y65-A69 WeakPolarHBondContact O-CB 3.48Å; Y65-A69 PolarHBondContact O-N 3.3Å; Q67-A69 VanDerWaalsContact C-N 3.3Å; Q67-A69 PolarHBondContact O-N 3.04Å; A69-E71 VanDerWaalsContact C-N 3.28Å; A69-E71 PolarHBondContact O-N 3.41Å; A69-Q72 PolarHBondContact O-N 3.3Å; A69-F73 PolarHBondContact O-N 3.45Å; A69-Q80 HydrophobicContact CB-CB 3.96Å; A69-Q80 HydrophobicContact CB-CG 4.13Å; A69-Q80 WeakPolarHBondContact O-CG 3.4Å; A69-L83 HydrophobicContact CB-CD2 4.21Å; A69-I84 HydrophobicContact CB-CD1 3.93Å; A69-I84 HydrophobicContact CB-CG1 3.71Å
70	R	98	Very high	97.4	Very high	141 Å²	141	91.5 Å²	91.5	53%	0.532	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-34.3	174.1	-77.5	-177.6	-66.5	158.7	-3.2	112.5	E66 Q67 Y68 P74	E66-R70 WeakPolarHBondContact O-CB 3.49Å; E66-R70 VanDerWaalsContact O-CG 3.27Å; E66-R70 WeakPolarHBondContact O-CG 3.48Å; E66-R70 PolarHBondContact O-N 2.99Å; E66-R70 VanDerWaalsContact O-N 3.1Å; E66-R70 PolarHBondContact O-NE 3.05Å; Q67-R70 PolarHBondContact O-N 3.28Å; Q67-R70 VanDerWaalsContact O-N 3.15Å; Y68-R70 PolarHBondContact O-N 3.47Å; R70-P74 WeakPolarHBondContact O-CA 3.33Å; R70-P74 WeakPolarHBondContact O-CD 3.44Å; R70-P74 VanDerWaalsContact O-CG 3.28Å; R70-P74 WeakPolarHBondContact O-CG 3.49Å
71	E	97.9	Very high	97.4	Very high	114 Å²	114	90.7 Å²	90.7	53%	0.533	42%	0.424	S	S	.	.	H	α-helix	trans	-68.6	-41.8	175.2	-70.2	171.8	-170	0	0	111.7	Q67 Y68 A69	Q67-E71 WeakPolarHBondContact CG-OE1 3.43Å; Q67-E71 PolarHBondContact NE2-OE1 3.02Å; Q67-E71 WeakPolarHBondContact O-CG 3.34Å; Q67-E71 PolarHBondContact O-N 2.99Å; Y68-E71 WeakPolarHBondContact O-CB 3.29Å; Y68-E71 PolarHBondContact O-N 3.23Å; Y68-E71 VanDerWaalsContact O-N 3.16Å; A69-E71 VanDerWaalsContact C-N 3.28Å; A69-E71 PolarHBondContact O-N 3.41Å
72	Q	97.4	Very high	97.5	Very high	95 Å²	95	93 Å²	93	44%	0.444	45%	0.445	S	S	.	.	H	α-helix	trans	-72.5	-40.8	179	-63.2	-55	-39.2	0	0	113	Y68 A69 L83	Y68-Q72 HydrophobicContact CD1-CG 4.19Å; Y68-Q72 HydrophobicContact CE1-CG 3.83Å; Y68-Q72 HydrophobicContact CE2-CG 4.29Å; Y68-Q72 WeakPolarHBondContact O-CG 3.44Å; Y68-Q72 PolarHBondContact O-N 3.46Å; A69-Q72 PolarHBondContact O-N 3.3Å; Q72-L83 HydrophobicContact CB-CD2 3.9Å; Q72-L83 HydrophobicContact CG-CD2 3.88Å
73	F	97.1	Very high	97.6	Very high	69 Å²	69	90.4 Å²	90.4	30%	0.303	44%	0.435	S	S	.	.			trans	-131.3	64.1	-173.9	-60.4	-64.3	0	0	0	113	A69 K75 D76 K79 Q80 L83	A69-F73 PolarHBondContact O-N 3.45Å; F73-K75 PolarHBondContact O-N 3.03Å; F73-D76 HydrophobicContact CB-CB 4.31Å; F73-D76 PolarHBondContact O-N 2.88Å; F73-D76 VanDerWaalsContact O-N 3.14Å; F73-K79 HydrophobicContact CB-CB 3.99Å; F73-K79 HydrophobicContact CD1-CB 3.85Å; F73-K79 HydrophobicContact CD1-CD 3.58Å; F73-K79 HydrophobicContact CD1-CG 4.38Å; F73-K79 HydrophobicContact CD2-CB 3.68Å; F73-K79 HydrophobicContact CE1-CB 4.24Å; F73-K79 HydrophobicContact CE1-CD 3.6Å; F73-K79 HydrophobicContact CE2-CB 4.06Å; F73-K79 HydrophobicContact CG-CB 3.56Å; F73-K79 HydrophobicContact CG-CD 4.19Å; F73-K79 HydrophobicContact CZ-CB 4.33Å; F73-K79 HydrophobicContact CZ-CD 4.21Å; F73-Q80 HydrophobicContact CB-CG 3.95Å; F73-Q80 WeakPolarHBondContact O-CG 3.43Å; F73-Q80 PolarHBondContact O-NE2 2.9Å; F73-L83 HydrophobicContact CD2-CB 4.48Å; F73-L83 HydrophobicContact CD2-CD2 4.02Å; F73-L83 HydrophobicContact CE2-CB 4.24Å; F73-L83 HydrophobicContact CE2-CD2 3.85Å
74	P	96.6	Very high	97.6	Very high	96 Å²	96	85.8 Å²	85.8	62%	0.623	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.1	-167.7	-24.1	30.9	0	0	0	116.6	R70	R70-P74 WeakPolarHBondContact O-CA 3.33Å; R70-P74 WeakPolarHBondContact O-CD 3.44Å; R70-P74 VanDerWaalsContact O-CG 3.28Å; R70-P74 WeakPolarHBondContact O-CG 3.49Å
75	K	96	Very high	97.6	Very high	211 Å²	211	83.8 Å²	83.8	92%	0.917	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-1.2	-174.8	-61.3	-178.1	-178.7	178.3	0	113.8	F73	F73-K75 PolarHBondContact O-N 3.03Å
76	D	97.6	Very high	97.6	Very high	55 Å²	55	87.3 Å²	87.3	29%	0.294	42%	0.42	S	S	.	.			trans	-122	89.3	-170.7	-168.5	-26.2	0	0	0	109.8	F73 E78 K79 Q80	F73-D76 HydrophobicContact CB-CB 4.31Å; F73-D76 PolarHBondContact O-N 2.88Å; F73-D76 VanDerWaalsContact O-N 3.14Å; D76-E78 PolarHBondContact O-N 3.47Å; D76-E78 PolarHBondContact OD1-N 3.43Å; D76-K79 HydrophobicContact CB-CB 4.1Å; D76-K79 HydrophobicContact CB-CD 4.26Å; D76-K79 HydrophobicContact CB-CG 4.32Å; D76-K79 VanDerWaalsContact CG-CG 3.47Å; D76-K79 PolarHBondContact O-N 2.85Å; D76-K79 PolarHBondContact OD1-N 2.84Å; D76-K79 WeakPolarHBondContact OD2-CD 3.41Å; D76-K79 WeakPolarHBondContact OD2-CE 3.48Å; D76-K79 VanDerWaalsContact OD2-CG 3.29Å; D76-K79 WeakPolarHBondContact OD2-CG 3.28Å; D76-K79 IonicContact OD2-NZ 3.57Å; D76-Q80 WeakPolarHBondContact O-CG 3.47Å; D76-Q80 PolarHBondContact O-N 2.85Å
77	L	96.8	Very high	97.6	Very high	112 Å²	112	85 Å²	85	59%	0.586	41%	0.409	S	S	*	.	H	α-helix	trans	-62.8	-31.4	-177.6	-69.9	176.3	0	0	0	112.7	Q80 K81	L77-Q80 PolarHBondContact O-N 2.81Å; L77-K81 WeakPolarHBondContact O-CG 3.21Å; L77-K81 PolarHBondContact O-N 2.86Å
78	E	97.7	Very high	97.6	Very high	123 Å²	123	82.4 Å²	82.4	58%	0.575	40%	0.397	S	S	*	.	H	α-helix	trans	-72.8	-40.1	179.7	-67.1	-56.9	117.8	0	0	110.7	D76 Q80 K81 A82	D76-E78 PolarHBondContact O-N 3.47Å; D76-E78 PolarHBondContact OD1-N 3.43Å; E78-Q80 VanDerWaalsContact C-N 3.34Å; E78-K81 PolarHBondContact O-N 3.49Å; E78-K81 IonicContact OE1-NZ 3.84Å; E78-K81 PolarHBondContact OE1-NZ 3Å; E78-A82 WeakPolarHBondContact O-CB 3.33Å; E78-A82 PolarHBondContact O-N 3.28Å
79	K	97.9	Very high	97.5	Very high	107 Å²	107	81.5 Å²	81.5	47%	0.465	40%	0.4	S	S	.	.	H	α-helix	trans	-65.8	-35.6	170.6	-71.4	-175.3	-170.5	169.7	0	113	F73 D76 A82 L83	F73-K79 HydrophobicContact CB-CB 3.99Å; F73-K79 HydrophobicContact CD1-CB 3.85Å; F73-K79 HydrophobicContact CD1-CD 3.58Å; F73-K79 HydrophobicContact CD1-CG 4.38Å; F73-K79 HydrophobicContact CD2-CB 3.68Å; F73-K79 HydrophobicContact CE1-CB 4.24Å; F73-K79 HydrophobicContact CE1-CD 3.6Å; F73-K79 HydrophobicContact CE2-CB 4.06Å; F73-K79 HydrophobicContact CG-CB 3.56Å; F73-K79 HydrophobicContact CG-CD 4.19Å; F73-K79 HydrophobicContact CZ-CB 4.33Å; F73-K79 HydrophobicContact CZ-CD 4.21Å; D76-K79 HydrophobicContact CB-CB 4.1Å; D76-K79 HydrophobicContact CB-CD 4.26Å; D76-K79 HydrophobicContact CB-CG 4.32Å; D76-K79 VanDerWaalsContact CG-CG 3.47Å; D76-K79 PolarHBondContact O-N 2.85Å; D76-K79 PolarHBondContact OD1-N 2.84Å; D76-K79 WeakPolarHBondContact OD2-CD 3.41Å; D76-K79 WeakPolarHBondContact OD2-CE 3.48Å; D76-K79 VanDerWaalsContact OD2-CG 3.29Å; D76-K79 WeakPolarHBondContact OD2-CG 3.28Å; D76-K79 IonicContact OD2-NZ 3.57Å; K79-A82 PolarHBondContact O-N 3.29Å; K79-L83 VanDerWaalsContact O-CB 3.32Å; K79-L83 WeakPolarHBondContact O-CB 3.45Å; K79-L83 PolarHBondContact O-N 3.16Å
80	Q	98.1	Very high	97.4	Very high	20 Å²	20	86.9 Å²	86.9	9%	0.093	43%	0.425	C	S	.	.	H	α-helix	trans	-59.9	-49.6	173.7	-71.1	178	25	0	0	111.2	A69 F73 D76 L77 E78 L83 I84	A69-Q80 HydrophobicContact CB-CB 3.96Å; A69-Q80 HydrophobicContact CB-CG 4.13Å; A69-Q80 WeakPolarHBondContact O-CG 3.4Å; F73-Q80 HydrophobicContact CB-CG 3.95Å; F73-Q80 WeakPolarHBondContact O-CG 3.43Å; F73-Q80 PolarHBondContact O-NE2 2.9Å; D76-Q80 WeakPolarHBondContact O-CG 3.47Å; D76-Q80 PolarHBondContact O-N 2.85Å; L77-Q80 PolarHBondContact O-N 2.81Å; E78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-L83 PolarHBondContact O-N 3.22Å; Q80-I84 VanDerWaalsContact O-CG1 3.25Å; Q80-I84 WeakPolarHBondContact O-CG1 3.35Å; Q80-I84 PolarHBondContact O-N 3.37Å
81	K	97.5	Very high	97.4	Very high	119 Å²	119	83 Å²	83	52%	0.517	41%	0.411	S	S	.	.	H	α-helix	trans	-60.7	-46.6	177.9	-71.4	173.3	-170.6	164	0	111.9	L77 E78 L83 I84 T85	L77-K81 WeakPolarHBondContact O-CG 3.21Å; L77-K81 PolarHBondContact O-N 2.86Å; E78-K81 PolarHBondContact O-N 3.49Å; E78-K81 IonicContact OE1-NZ 3.84Å; E78-K81 PolarHBondContact OE1-NZ 3Å; K81-L83 VanDerWaalsContact C-N 3.32Å; K81-L83 PolarHBondContact O-N 3.24Å; K81-I84 PolarHBondContact O-N 3.14Å; K81-T85 PolarHBondContact O-N 3.42Å; K81-T85 PolarHBondContact O-OG1 3.41Å; K81-T85 VanDerWaalsContact O-OG1 3.1Å
82	A	98	Very high	97.3	Very high	60 Å²	60	78 Å²	78	50%	0.496	39%	0.387	S	S	.	.	H	α-helix	trans	-58.7	-44.2	178.8	0	0	0	0	0	111.8	E78 K79 T85 E86	E78-A82 WeakPolarHBondContact O-CB 3.33Å; E78-A82 PolarHBondContact O-N 3.28Å; K79-A82 PolarHBondContact O-N 3.29Å; A82-T85 PolarHBondContact O-N 3.14Å; A82-E86 PolarHBondContact O-N 3.09Å
83	L	98.1	Very high	97.2	Very high	31 Å²	31	79.2 Å²	79.2	16%	0.162	39%	0.393	C	S	.	.	H	α-helix	trans	-64.5	-41.9	176.7	178.7	60.2	0	0	0	112.1	Y68 A69 Q72 F73 K79 Q80 K81 E86 M87	Y68-L83 HydrophobicContact CD1-CD2 4.11Å; Y68-L83 HydrophobicContact CE1-CD2 4.09Å; A69-L83 HydrophobicContact CB-CD2 4.21Å; Q72-L83 HydrophobicContact CB-CD2 3.9Å; Q72-L83 HydrophobicContact CG-CD2 3.88Å; F73-L83 HydrophobicContact CD2-CB 4.48Å; F73-L83 HydrophobicContact CD2-CD2 4.02Å; F73-L83 HydrophobicContact CE2-CB 4.24Å; F73-L83 HydrophobicContact CE2-CD2 3.85Å; K79-L83 VanDerWaalsContact O-CB 3.32Å; K79-L83 WeakPolarHBondContact O-CB 3.45Å; K79-L83 PolarHBondContact O-N 3.16Å; Q80-L83 PolarHBondContact O-N 3.22Å; K81-L83 VanDerWaalsContact C-N 3.32Å; K81-L83 PolarHBondContact O-N 3.24Å; L83-E86 PolarHBondContact O-N 3.43Å; L83-M87 HydrophobicContact CD1-CG 4.28Å; L83-M87 HydrophobicContact CD1-SD 4.44Å; L83-M87 HydrophobicContact CG-CE 4.13Å; L83-M87 HydrophobicContact CG-SD 4.46Å; L83-M87 WeakPolarHBondContact O-CG 3.43Å; L83-M87 PolarHBondContact O-N 3Å
84	I	98	Very high	97.2	Very high	29 Å²	29	80.9 Å²	80.9	15%	0.149	40%	0.401	C	S	.	.	H	α-helix	trans	-62.1	-46.1	176.5	-68.6	165	0	0	0	110.5	E66 A69 Q80 K81 E86 M87 Q88	E66-I84 HydrophobicContact CG-CD1 3.92Å; A69-I84 HydrophobicContact CB-CD1 3.93Å; A69-I84 HydrophobicContact CB-CG1 3.71Å; Q80-I84 VanDerWaalsContact O-CG1 3.25Å; Q80-I84 WeakPolarHBondContact O-CG1 3.35Å; Q80-I84 PolarHBondContact O-N 3.37Å; K81-I84 PolarHBondContact O-N 3.14Å; I84-E86 PolarHBondContact O-N 2.89Å; I84-M87 HydrophobicContact CG1-CE 4.41Å; I84-M87 PolarHBondContact O-N 3.05Å; I84-Q88 HydrophobicContact CG2-CG 4.26Å; I84-Q88 VanDerWaalsContact CG2-NE2 3.33Å; I84-Q88 WeakPolarHBondContact O-CB 2.9Å; I84-Q88 VanDerWaalsContact O-CG 3.23Å; I84-Q88 WeakPolarHBondContact O-CG 3.36Å; I84-Q88 PolarHBondContact O-N 2.79Å
85	T	97.3	Very high	97.2	Very high	69 Å²	69	80.4 Å²	80.4	42%	0.423	39%	0.388	S	S	.	.	H	α-helix	trans	-59.1	-47.3	177.1	-58.8	0	0	0	0	111.2	K81 A82 M87 Q88 D89	K81-T85 PolarHBondContact O-N 3.42Å; K81-T85 PolarHBondContact O-OG1 3.41Å; K81-T85 VanDerWaalsContact O-OG1 3.1Å; A82-T85 PolarHBondContact O-N 3.14Å; T85-M87 PolarHBondContact O-N 2.97Å; T85-Q88 PolarHBondContact O-N 2.73Å; T85-D89 PolarHBondContact O-N 3.42Å
86	E	97.6	Very high	97.1	Very high	106 Å²	106	73.6 Å²	73.6	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-59	-46.2	177.9	-176.6	-179.2	176.2	0	0	112	A82 L83 I84 Q88 D89 Q90	A82-E86 PolarHBondContact O-N 3.09Å; L83-E86 PolarHBondContact O-N 3.43Å; I84-E86 PolarHBondContact O-N 2.89Å; E86-Q88 VanDerWaalsContact C-N 3.33Å; E86-Q88 PolarHBondContact O-N 3.44Å; E86-D89 PolarHBondContact O-N 3.04Å; E86-Q90 WeakPolarHBondContact O-CB 3.47Å; E86-Q90 VanDerWaalsContact O-CG 3.3Å; E86-Q90 WeakPolarHBondContact O-CG 3.43Å; E86-Q90 PolarHBondContact O-N 3.29Å; E86-Q90 PolarHBondContact OE1-NE2 3.49Å
87	M	97.8	Very high	97	Very high	23 Å²	23	73.9 Å²	73.9	11%	0.113	37%	0.368	C	S	.	.	H	α-helix	trans	-64.9	-36.6	177.3	-70	-172.2	-57.4	0	0	112.3	Y65 Y68 L83 I84 T85 Y91	Y65-M87 HydrophobicContact CD1-CE 3.93Å; Y65-M87 HydrophobicContact CD1-SD 4.23Å; Y65-M87 HydrophobicContact CD2-CB 3.89Å; Y65-M87 HydrophobicContact CD2-CE 4.11Å; Y65-M87 HydrophobicContact CE1-SD 4.48Å; Y65-M87 HydrophobicContact CE2-CB 3.71Å; Y65-M87 HydrophobicContact CG-CB 4.39Å; Y65-M87 HydrophobicContact CG-CE 3.62Å; Y65-M87 HydrophobicContact CG-SD 4.43Å; Y68-M87 HydrophobicContact CD1-CE 3.95Å; Y68-M87 HydrophobicContact CD1-SD 3.57Å; Y68-M87 VanDerWaalsContact CD1-SD 3.57Å; Y68-M87 HydrophobicContact CE1-SD 3.92Å; L83-M87 HydrophobicContact CD1-CG 4.28Å; L83-M87 HydrophobicContact CD1-SD 4.44Å; L83-M87 HydrophobicContact CG-CE 4.13Å; L83-M87 HydrophobicContact CG-SD 4.46Å; L83-M87 WeakPolarHBondContact O-CG 3.43Å; L83-M87 PolarHBondContact O-N 3Å; I84-M87 HydrophobicContact CG1-CE 4.41Å; I84-M87 PolarHBondContact O-N 3.05Å; T85-M87 PolarHBondContact O-N 2.97Å; M87-Y91 WeakPolarHBondContact O-CB 3.49Å; M87-Y91 PolarHBondContact O-N 2.91Å
88	Q	97.5	Very high	96.9	Very high	44 Å²	44	72.1 Å²	72.1	21%	0.206	36%	0.356	C	S	.	.	H	α-helix	trans	-65.9	-43.2	177	-75.6	172.6	-5.1	0	0	111.8	V58 Y65 I84 T85 E86 Y91 F92	V58-Q88 HydrophobicContact CG2-CG 4.15Å; Y65-Q88 HydrophobicContact CD2-CG 3.98Å; Y65-Q88 HydrophobicContact CE2-CG 4.15Å; I84-Q88 HydrophobicContact CG2-CG 4.26Å; I84-Q88 VanDerWaalsContact CG2-NE2 3.33Å; I84-Q88 WeakPolarHBondContact O-CB 2.9Å; I84-Q88 VanDerWaalsContact O-CG 3.23Å; I84-Q88 WeakPolarHBondContact O-CG 3.36Å; I84-Q88 PolarHBondContact O-N 2.79Å; T85-Q88 PolarHBondContact O-N 2.73Å; E86-Q88 VanDerWaalsContact C-N 3.33Å; E86-Q88 PolarHBondContact O-N 3.44Å; Q88-Y91 PolarHBondContact O-N 2.6Å; Q88-F92 WeakPolarHBondContact O-CB 3.38Å; Q88-F92 PolarHBondContact O-N 3.2Å
89	D	95.7	Very high	96.7	Very high	88 Å²	88	69.4 Å²	69.4	47%	0.471	35%	0.348	S	S	.	.	H	α-helix	trans	-64.9	-46.5	176.8	-71.1	-22.7	0	0	0	110.9	T85 E86 Y91 F92 E93	T85-D89 PolarHBondContact O-N 3.42Å; E86-D89 PolarHBondContact O-N 3.04Å; D89-Y91 VanDerWaalsContact C-N 3.33Å; D89-Y91 PolarHBondContact O-N 3.3Å; D89-F92 PolarHBondContact O-N 2.94Å; D89-E93 WeakPolarHBondContact O-CG 3.38Å; D89-E93 PolarHBondContact O-N 3.36Å
90	Q	97.1	Very high	96.5	Very high	112 Å²	112	71.5 Å²	71.5	52%	0.523	35%	0.354	S	S	.	.	H	α-helix	trans	-60	-42.5	175.8	-73.4	175.3	-7.8	0	0	112.3	E86 H94	E86-Q90 WeakPolarHBondContact O-CB 3.47Å; E86-Q90 VanDerWaalsContact O-CG 3.3Å; E86-Q90 WeakPolarHBondContact O-CG 3.43Å; E86-Q90 PolarHBondContact O-N 3.29Å; E86-Q90 PolarHBondContact OE1-NE2 3.49Å; Q90-H94 WeakPolarHBondContact O-CB 3.23Å; Q90-H94 PolarHBondContact O-N 3.39Å
91	Y	97.3	Very high	96.3	Very high	61 Å²	61	76.8 Å²	76.8	24%	0.239	37%	0.373	C	S	.	.	H	α-helix	trans	-68.3	-37.5	179.3	-175.3	-126.7	0	0	0	112.1	L57 T61 Y65 M87 Q88 D89 H94 Y95	L57-Y91 HydrophobicContact CB-CD1 4.14Å; L57-Y91 HydrophobicContact CB-CE1 4.09Å; L57-Y91 HydrophobicContact CD1-CD1 4.43Å; L57-Y91 HydrophobicContact CD2-CD1 4.36Å; L57-Y91 HydrophobicContact CD2-CE1 3.66Å; L57-Y91 HydrophobicContact CG-CE1 4.28Å; T61-Y91 HydrophobicContact CG2-CD1 3.71Å; T61-Y91 HydrophobicContact CG2-CE1 3.46Å; T61-Y91 VanDerWaalsContact CG2-CE1 3.46Å; Y65-Y91 WeakPolarHBondContact OH-CB 3.3Å; M87-Y91 WeakPolarHBondContact O-CB 3.49Å; M87-Y91 PolarHBondContact O-N 2.91Å; Q88-Y91 PolarHBondContact O-N 2.6Å; D89-Y91 VanDerWaalsContact C-N 3.33Å; D89-Y91 PolarHBondContact O-N 3.3Å; Y91-H94 PolarHBondContact O-N 3.33Å; Y91-Y95 VanDerWaalsContact O-CB 3.26Å; Y91-Y95 WeakPolarHBondContact O-CB 3.26Å; Y91-Y95 PolarHBondContact O-N 3.38Å
92	F	96.9	Very high	96.2	Very high	9 Å²	9	77.7 Å²	77.7	4%	0.039	38%	0.377	C	S	.	.	H	α-helix	trans	-61.8	-48.8	175.1	177.4	-105	0	0	0	111.7	E50 I53 K54 L57 Q88 D89 H94 Y95 L96	E50-F92 HydrophobicContact CG-CE1 4.27Å; E50-F92 HydrophobicContact CG-CE2 4.33Å; E50-F92 HydrophobicContact CG-CZ 3.56Å; I53-F92 HydrophobicContact CB-CE2 4.31Å; I53-F92 HydrophobicContact CG2-CD2 4.16Å; I53-F92 HydrophobicContact CG2-CE2 3.75Å; K54-F92 HydrophobicContact CD-CD2 4.46Å; K54-F92 HydrophobicContact CD-CE1 4.5Å; K54-F92 HydrophobicContact CD-CE2 4.4Å; K54-F92 HydrophobicContact CD-CZ 4.41Å; K54-F92 VanDerWaalsContact CE-CD1 3.4Å; K54-F92 HydrophobicContact CG-CD1 4.38Å; K54-F92 HydrophobicContact CG-CD2 3.49Å; K54-F92 VanDerWaalsContact CG-CD2 3.49Å; K54-F92 HydrophobicContact CG-CE1 4.44Å; K54-F92 HydrophobicContact CG-CE2 3.57Å; K54-F92 HydrophobicContact CG-CG 3.92Å; K54-F92 HydrophobicContact CG-CZ 4.06Å; L57-F92 HydrophobicContact CD1-CB 4.47Å; L57-F92 HydrophobicContact CD1-CD2 3.9Å; Q88-F92 WeakPolarHBondContact O-CB 3.38Å; Q88-F92 PolarHBondContact O-N 3.2Å; D89-F92 PolarHBondContact O-N 2.94Å; F92-H94 VanDerWaalsContact C-N 3.34Å; F92-H94 PolarHBondContact O-N 3.35Å; F92-Y95 PolarHBondContact O-N 3.37Å; F92-L96 HydrophobicContact CD1-CD1 4.19Å; F92-L96 HydrophobicContact CE1-CD1 3.42Å; F92-L96 VanDerWaalsContact CE1-CD1 3.42Å; F92-L96 HydrophobicContact CE1-CG 4.1Å; F92-L96 HydrophobicContact CE2-CD1 4.18Å; F92-L96 HydrophobicContact CE2-CD2 4.23Å; F92-L96 HydrophobicContact CE2-CG 4.07Å; F92-L96 HydrophobicContact CZ-CD1 3.41Å; F92-L96 VanDerWaalsContact CZ-CD1 3.41Å; F92-L96 HydrophobicContact CZ-CD2 4.14Å; F92-L96 HydrophobicContact CZ-CG 3.82Å; F92-L96 PolarHBondContact O-N 3.32Å
93	E	95.8	Very high	96	Very high	120 Å²	120	79.1 Å²	79.1	56%	0.561	37%	0.373	S	S	*	.	H	α-helix	trans	-60.2	-44.1	176.5	-69.3	-57.8	137	0	0	111.8	D89 Y95 L96 S97	D89-E93 WeakPolarHBondContact O-CG 3.38Å; D89-E93 PolarHBondContact O-N 3.36Å; E93-Y95 PolarHBondContact O-N 2.92Å; E93-L96 PolarHBondContact O-N 3.5Å; E93-S97 PolarHBondContact O-N 2.91Å
94	H	96.2	Very high	95.9	Very high	104 Å²	104	81.3 Å²	81.3	48%	0.481	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-46.3	175.9	-178.9	56	0	0	0	111.8	Q90 Y91 F92 L96 S97 E98	Q90-H94 WeakPolarHBondContact O-CB 3.23Å; Q90-H94 PolarHBondContact O-N 3.39Å; Y91-H94 PolarHBondContact O-N 3.33Å; F92-H94 VanDerWaalsContact C-N 3.34Å; F92-H94 PolarHBondContact O-N 3.35Å; H94-L96 PolarHBondContact O-N 2.86Å; H94-S97 PolarHBondContact O-N 3.2Å; H94-S97 PolarHBondContact O-OG 2.96Å; H94-E98 PolarHBondContact O-N 3.26Å; H94-E98 VanDerWaalsContact O-N 3.07Å
95	Y	96.2	Very high	95.7	Very high	85 Å²	85	83.1 Å²	83.1	33%	0.333	40%	0.397	S	S	.	.	H	α-helix	trans	-58.3	-48.1	177.8	173.6	-97	0	0	0	111.8	I53 L57 Y91 F92 E93 S97 E98 V99	I53-Y95 HydrophobicContact CG2-CD1 3.89Å; I53-Y95 HydrophobicContact CG2-CE1 3.56Å; L57-Y95 HydrophobicContact CD1-CD1 3.83Å; L57-Y95 HydrophobicContact CD1-CD2 4.5Å; L57-Y95 HydrophobicContact CD1-CG 3.82Å; L57-Y95 HydrophobicContact CD2-CD1 4.49Å; L57-Y95 HydrophobicContact CD2-CD2 3.91Å; L57-Y95 HydrophobicContact CD2-CE2 4.19Å; L57-Y95 HydrophobicContact CD2-CG 4.07Å; Y91-Y95 VanDerWaalsContact O-CB 3.26Å; Y91-Y95 WeakPolarHBondContact O-CB 3.26Å; Y91-Y95 PolarHBondContact O-N 3.38Å; F92-Y95 PolarHBondContact O-N 3.37Å; E93-Y95 PolarHBondContact O-N 2.92Å; Y95-S97 VanDerWaalsContact C-N 3.3Å; Y95-S97 PolarHBondContact O-N 3.49Å; Y95-E98 PolarHBondContact O-N 3.47Å; Y95-V99 HydrophobicContact CD1-CG2 4.14Å; Y95-V99 HydrophobicContact CD2-CG2 4.15Å; Y95-V99 HydrophobicContact CE1-CG2 3.7Å; Y95-V99 HydrophobicContact CE2-CG2 3.71Å; Y95-V99 HydrophobicContact CG-CG2 4.35Å; Y95-V99 VanDerWaalsContact CZ-CG2 3.47Å; Y95-V99 WeakPolarHBondContact O-CB 3.42Å; Y95-V99 WeakPolarHBondContact O-CG2 3.33Å; Y95-V99 PolarHBondContact O-N 3Å
96	L	94.4	Very high	95.5	Very high	68 Å²	68	83.2 Å²	83.2	36%	0.356	39%	0.393	S	S	.	.	H	α-helix	trans	-59.7	-41.8	177.9	-73.7	-173.5	0	0	0	112	F92 E93 H94 E98 V99 Y100	F92-L96 HydrophobicContact CD1-CD1 4.19Å; F92-L96 HydrophobicContact CE1-CD1 3.42Å; F92-L96 VanDerWaalsContact CE1-CD1 3.42Å; F92-L96 HydrophobicContact CE1-CG 4.1Å; F92-L96 HydrophobicContact CE2-CD1 4.18Å; F92-L96 HydrophobicContact CE2-CD2 4.23Å; F92-L96 HydrophobicContact CE2-CG 4.07Å; F92-L96 HydrophobicContact CZ-CD1 3.41Å; F92-L96 VanDerWaalsContact CZ-CD1 3.41Å; F92-L96 HydrophobicContact CZ-CD2 4.14Å; F92-L96 HydrophobicContact CZ-CG 3.82Å; F92-L96 PolarHBondContact O-N 3.32Å; E93-L96 PolarHBondContact O-N 3.5Å; H94-L96 PolarHBondContact O-N 2.86Å; L96-E98 PolarHBondContact O-N 2.87Å; L96-V99 PolarHBondContact O-N 3.46Å; L96-Y100 VanDerWaalsContact O-CB 3.28Å; L96-Y100 WeakPolarHBondContact O-CB 3.46Å; L96-Y100 PolarHBondContact O-N 3.4Å
97	S	94.4	Very high	95.3	Very high	62 Å²	62	82.3 Å²	82.3	43%	0.434	39%	0.389	S	S	.	.	H	α-helix	trans	-61.9	-42.3	178.3	77.5	0	0	0	0	112.5	E93 H94 Y95 Y100 R101	E93-S97 PolarHBondContact O-N 2.91Å; H94-S97 PolarHBondContact O-N 3.2Å; H94-S97 PolarHBondContact O-OG 2.96Å; Y95-S97 VanDerWaalsContact C-N 3.3Å; Y95-S97 PolarHBondContact O-N 3.49Å; S97-Y100 PolarHBondContact O-N 3.45Å; S97-R101 WeakPolarHBondContact O-CB 3.32Å; S97-R101 PolarHBondContact O-N 3.47Å
98	E	95.1	Very high	95.1	Very high	75 Å²	75	89.3 Å²	89.3	35%	0.35	41%	0.414	S	S	.	.	H	α-helix	trans	-72.6	-41.2	179.9	-79.8	-63	104.3	0	0	112.1	H94 Y95 L96 Y100 R101 F102	H94-E98 PolarHBondContact O-N 3.26Å; H94-E98 VanDerWaalsContact O-N 3.07Å; Y95-E98 PolarHBondContact O-N 3.47Å; L96-E98 PolarHBondContact O-N 2.87Å; E98-Y100 VanDerWaalsContact C-N 3.32Å; E98-Y100 PolarHBondContact O-N 3Å; E98-R101 PolarHBondContact O-N 3.3Å; E98-R101 IonicContact OE1-CZ 3.53Å; E98-R101 IonicContact OE1-NE 3.66Å; E98-R101 PolarHBondContact OE1-NE 3.41Å; E98-R101 IonicContact OE1-NH2 2.79Å; E98-R101 IonicContact OE2-CZ 3.66Å; E98-R101 IonicContact OE2-NE 2.6Å; E98-R101 PolarHBondContact OE2-NE 2.88Å; E98-R101 IonicContact OE2-NH2 2.88Å; E98-R101 PolarHBondContact OE2-NH2 3.23Å; E98-F102 WeakPolarHBondContact O-CB 3.19Å; E98-F102 PolarHBondContact O-N 3.12Å
99	V	94.2	Very high	94.9	Very high	65 Å²	65	92 Å²	92	39%	0.394	43%	0.426	S	S	.	.	H	α-helix	trans	-60.4	-44.3	173.7	170.3	0	0	0	0	110.4	Y95 L96 R101 F102 Q103	Y95-V99 HydrophobicContact CD1-CG2 4.14Å; Y95-V99 HydrophobicContact CD2-CG2 4.15Å; Y95-V99 HydrophobicContact CE1-CG2 3.7Å; Y95-V99 HydrophobicContact CE2-CG2 3.71Å; Y95-V99 HydrophobicContact CG-CG2 4.35Å; Y95-V99 VanDerWaalsContact CZ-CG2 3.47Å; Y95-V99 WeakPolarHBondContact O-CB 3.42Å; Y95-V99 WeakPolarHBondContact O-CG2 3.33Å; Y95-V99 PolarHBondContact O-N 3Å; L96-V99 PolarHBondContact O-N 3.46Å; V99-R101 PolarHBondContact O-N 2.73Å; V99-F102 PolarHBondContact O-N 3.38Å; V99-Q103 VanDerWaalsContact O-CB 3.3Å; V99-Q103 WeakPolarHBondContact O-CB 3.38Å; V99-Q103 PolarHBondContact O-N 2.99Å
100	Y	93.6	Very high	94.8	Very high	152 Å²	152	91.4 Å²	91.4	60%	0.596	42%	0.421	S	S	*	.	H	α-helix	trans	-60.8	-46.2	176.7	179.1	-108.3	0	0	0	111.8	L96 S97 E98 F102 Q103 L104	L96-Y100 VanDerWaalsContact O-CB 3.28Å; L96-Y100 WeakPolarHBondContact O-CB 3.46Å; L96-Y100 PolarHBondContact O-N 3.4Å; S97-Y100 PolarHBondContact O-N 3.45Å; E98-Y100 VanDerWaalsContact C-N 3.32Å; E98-Y100 PolarHBondContact O-N 3Å; Y100-F102 PolarHBondContact O-N 3.42Å; Y100-Q103 PolarHBondContact O-N 3.36Å; Y100-L104 HydrophobicContact CD1-CD1 4.02Å; Y100-L104 HydrophobicContact CE1-CD1 3.46Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.46Å; Y100-L104 HydrophobicContact CE1-CG 4.23Å; Y100-L104 HydrophobicContact CE2-CD1 4.39Å; Y100-L104 HydrophobicContact CE2-CD2 4.46Å; Y100-L104 HydrophobicContact CE2-CG 4.33Å; Y100-L104 WeakPolarHBondContact O-CG 3.42Å; Y100-L104 PolarHBondContact O-N 3.04Å
101	R	94.4	Very high	94.6	Very high	131 Å²	131	91.3 Å²	91.3	49%	0.494	42%	0.423	S	S	.	.	H	α-helix	trans	-59.6	-45.6	176	-172.7	-177.3	68	76.9	2.3	111.8	S97 E98 V99 L104 V105	S97-R101 WeakPolarHBondContact O-CB 3.32Å; S97-R101 PolarHBondContact O-N 3.47Å; E98-R101 PolarHBondContact O-N 3.3Å; E98-R101 IonicContact OE1-CZ 3.53Å; E98-R101 IonicContact OE1-NE 3.66Å; E98-R101 PolarHBondContact OE1-NE 3.41Å; E98-R101 IonicContact OE1-NH2 2.79Å; E98-R101 IonicContact OE2-CZ 3.66Å; E98-R101 IonicContact OE2-NE 2.6Å; E98-R101 PolarHBondContact OE2-NE 2.88Å; E98-R101 IonicContact OE2-NH2 2.88Å; E98-R101 PolarHBondContact OE2-NH2 3.23Å; V99-R101 PolarHBondContact O-N 2.73Å; R101-L104 PolarHBondContact O-N 3.4Å; R101-V105 WeakPolarHBondContact O-CG2 3.33Å; R101-V105 PolarHBondContact O-N 3.3Å; R101-V105 VanDerWaalsContact O-N 3.14Å
102	F	94.6	Very high	94.3	Very high	137 Å²	137	92.2 Å²	92.2	60%	0.601	43%	0.43	S	S	*	.	H	α-helix	trans	-62.2	-44.1	177.6	-177.2	-95.4	0	0	0	111.5	E98 V99 Y100 L104 V105 H106	E98-F102 WeakPolarHBondContact O-CB 3.19Å; E98-F102 PolarHBondContact O-N 3.12Å; V99-F102 PolarHBondContact O-N 3.38Å; Y100-F102 PolarHBondContact O-N 3.42Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 2.93Å; F102-V105 PolarHBondContact O-N 2.89Å; F102-H106 WeakPolarHBondContact O-CB 3.26Å; F102-H106 PolarHBondContact O-N 2.94Å
103	Q	94.3	Very high	94	Very high	90 Å²	90	96.1 Å²	96.1	42%	0.421	45%	0.448	S	S	.	.	H	α-helix	trans	-61	-41.8	178.9	-176.9	65.5	-4	0	0	111.8	V99 Y100 H106 Q107	V99-Q103 VanDerWaalsContact O-CB 3.3Å; V99-Q103 WeakPolarHBondContact O-CB 3.38Å; V99-Q103 PolarHBondContact O-N 2.99Å; Y100-Q103 PolarHBondContact O-N 3.36Å; Q103-H106 PolarHBondContact O-N 2.92Å; Q103-Q107 WeakPolarHBondContact O-CB 3.21Å; Q103-Q107 VanDerWaalsContact O-CG 3.31Å; Q103-Q107 WeakPolarHBondContact O-CG 3.27Å; Q103-Q107 PolarHBondContact O-N 3.42Å
104	L	94.9	Very high	93.8	Very high	78 Å²	78	96 Å²	96	41%	0.408	45%	0.451	S	S	.	.	H	α-helix	trans	-62.6	-45.6	175.1	-73.3	176.7	0	0	0	112.5	Y100 R101 F102 H106 Q107 R108	Y100-L104 HydrophobicContact CD1-CD1 4.02Å; Y100-L104 HydrophobicContact CE1-CD1 3.46Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.46Å; Y100-L104 HydrophobicContact CE1-CG 4.23Å; Y100-L104 HydrophobicContact CE2-CD1 4.39Å; Y100-L104 HydrophobicContact CE2-CD2 4.46Å; Y100-L104 HydrophobicContact CE2-CG 4.33Å; Y100-L104 WeakPolarHBondContact O-CG 3.42Å; Y100-L104 PolarHBondContact O-N 3.04Å; R101-L104 PolarHBondContact O-N 3.4Å; F102-L104 VanDerWaalsContact C-N 3.34Å; F102-L104 PolarHBondContact O-N 2.93Å; L104-H106 VanDerWaalsContact C-N 3.33Å; L104-H106 PolarHBondContact O-N 3.34Å; L104-Q107 PolarHBondContact O-N 3.47Å; L104-R108 PolarHBondContact O-N 3.47Å
105	V	94.9	Very high	93.6	Very high	66 Å²	66	99.2 Å²	99.2	40%	0.4	46%	0.458	S	S	.	.	H	α-helix	trans	-61.8	-45.1	178	172.1	0	0	0	0	110.4	R101 F102 R108 Q109	R101-V105 WeakPolarHBondContact O-CG2 3.33Å; R101-V105 PolarHBondContact O-N 3.3Å; R101-V105 VanDerWaalsContact O-N 3.14Å; F102-V105 PolarHBondContact O-N 2.89Å; V105-R108 PolarHBondContact O-N 2.96Å; V105-Q109 WeakPolarHBondContact O-CG 3.38Å; V105-Q109 PolarHBondContact O-N 3.44Å
106	H	93.4	Very high	93.2	Very high	71 Å²	71	97.8 Å²	97.8	33%	0.329	46%	0.464	S	S	.	.	H	α-helix	trans	-62.7	-44.8	179.1	-179.8	-114.4	0	0	0	111.9	F102 Q103 L104 R108 Q109 Q110	F102-H106 WeakPolarHBondContact O-CB 3.26Å; F102-H106 PolarHBondContact O-N 2.94Å; Q103-H106 PolarHBondContact O-N 2.92Å; L104-H106 VanDerWaalsContact C-N 3.33Å; L104-H106 PolarHBondContact O-N 3.34Å; H106-R108 VanDerWaalsContact C-N 3.33Å; H106-R108 PolarHBondContact O-N 2.99Å; H106-Q109 PolarHBondContact O-N 3Å; H106-Q110 PolarHBondContact CE1-NE2 3.42Å; H106-Q110 WeakPolarHBondContact O-CG 3.33Å; H106-Q110 PolarHBondContact O-N 2.95Å
107	Q	93.3	Very high	92.9	Very high	88 Å²	88	97.4 Å²	97.4	41%	0.411	47%	0.465	S	S	.	.	H	α-helix	trans	-59.8	-42.7	175.1	-75.9	177	12.4	0	0	112.3	Q103 L104 Q109 Q110 L111	Q103-Q107 WeakPolarHBondContact O-CB 3.21Å; Q103-Q107 VanDerWaalsContact O-CG 3.31Å; Q103-Q107 WeakPolarHBondContact O-CG 3.27Å; Q103-Q107 PolarHBondContact O-N 3.42Å; L104-Q107 PolarHBondContact O-N 3.47Å; Q107-Q109 PolarHBondContact O-N 3.44Å; Q107-Q110 PolarHBondContact O-N 3.24Å; Q107-L111 WeakPolarHBondContact O-CG 3.42Å; Q107-L111 PolarHBondContact O-N 2.83Å
108	R	93.4	Very high	92.5	Very high	169 Å²	169	101 Å²	101	64%	0.638	47%	0.472	S	S	*	.	H	α-helix	trans	-60.5	-45	176.3	179.6	178.7	169.9	168.9	0.5	111.6	L104 V105 H106 Q110 L111 E112	L104-R108 PolarHBondContact O-N 3.47Å; V105-R108 PolarHBondContact O-N 2.96Å; H106-R108 VanDerWaalsContact C-N 3.33Å; H106-R108 PolarHBondContact O-N 2.99Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; R108-Q110 PolarHBondContact O-N 3.33Å; R108-L111 PolarHBondContact O-N 3.25Å; R108-E112 IonicContact CZ-OE1 2.73Å; R108-E112 IonicContact NE-OE1 3.38Å; R108-E112 PolarHBondContact NE-OE1 3.07Å; R108-E112 IonicContact NH2-OE1 3.81Å; R108-E112 WeakPolarHBondContact O-CG 3.41Å; R108-E112 PolarHBondContact O-N 3.5Å
109	Q	93.6	Very high	91.7	Very high	100 Å²	100	100.8 Å²	100.8	47%	0.467	48%	0.479	S	S	.	.	H	α-helix	trans	-61.6	-40.8	177.2	-72	174.2	-5.5	0	0	111.9	V105 H106 Q107 L111 E112 Q113	V105-Q109 WeakPolarHBondContact O-CG 3.38Å; V105-Q109 PolarHBondContact O-N 3.44Å; H106-Q109 PolarHBondContact O-N 3Å; Q107-Q109 PolarHBondContact O-N 3.44Å; Q109-L111 VanDerWaalsContact C-N 3.34Å; Q109-L111 PolarHBondContact O-N 3.38Å; Q109-E112 PolarHBondContact O-N 3.49Å; Q109-Q113 VanDerWaalsContact O-CG 3.32Å; Q109-Q113 WeakPolarHBondContact O-CG 3.3Å; Q109-Q113 PolarHBondContact O-N 2.68Å
110	Q	92	Very high	90.9	Very high	77 Å²	77	100.6 Å²	100.6	36%	0.36	49%	0.485	S	S	.	.	H	α-helix	trans	-61.6	-41	175.3	-70.9	-176.3	-23.2	0	0	112.2	H106 Q107 R108 Q113 L114	H106-Q110 PolarHBondContact CE1-NE2 3.42Å; H106-Q110 WeakPolarHBondContact O-CG 3.33Å; H106-Q110 PolarHBondContact O-N 2.95Å; Q107-Q110 PolarHBondContact O-N 3.24Å; R108-Q110 VanDerWaalsContact C-N 3.33Å; R108-Q110 PolarHBondContact O-N 3.33Å; Q110-Q113 PolarHBondContact O-N 2.94Å; Q110-L114 WeakPolarHBondContact O-CB 3.25Å; Q110-L114 PolarHBondContact O-N 3.21Å
111	L	92.9	Very high	89.8	Confident	109 Å²	109	97 Å²	97	57%	0.571	48%	0.478	S	S	*	.	H	α-helix	trans	-67.2	-38.6	175.7	-69.9	174.3	0	0	0	112.5	Q107 R108 Q109 L114 R115	Q107-L111 WeakPolarHBondContact O-CG 3.42Å; Q107-L111 PolarHBondContact O-N 2.83Å; R108-L111 PolarHBondContact O-N 3.25Å; Q109-L111 VanDerWaalsContact C-N 3.34Å; Q109-L111 PolarHBondContact O-N 3.38Å; L111-L114 PolarHBondContact O-N 3.07Å; L111-R115 WeakPolarHBondContact O-CB 3.45Å; L111-R115 PolarHBondContact O-N 2.69Å
112	E	92.6	Very high	88.1	Confident	81 Å²	81	98 Å²	98	38%	0.379	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-42.7	175.2	-74.2	172.8	-172.6	0	0	111.4	R108 Q109 R115 A116	R108-E112 IonicContact CZ-OE1 2.73Å; R108-E112 IonicContact NE-OE1 3.38Å; R108-E112 PolarHBondContact NE-OE1 3.07Å; R108-E112 IonicContact NH2-OE1 3.81Å; R108-E112 WeakPolarHBondContact O-CG 3.41Å; R108-E112 PolarHBondContact O-N 3.5Å; Q109-E112 PolarHBondContact O-N 3.49Å; E112-R115 PolarHBondContact O-N 3.27Å; E112-A116 WeakPolarHBondContact O-CB 3.47Å; E112-A116 PolarHBondContact O-N 2.91Å
113	Q	90.8	Very high	86.1	Confident	91 Å²	91	97.5 Å²	97.5	43%	0.425	49%	0.49	S	S	.	.	H	α-helix	trans	-60.3	-46.1	172.7	-72.8	173.4	-11.9	0	0	111.6	Q109 Q110 R115 A116 V117 Y144	Q109-Q113 VanDerWaalsContact O-CG 3.32Å; Q109-Q113 WeakPolarHBondContact O-CG 3.3Å; Q109-Q113 PolarHBondContact O-N 2.68Å; Q110-Q113 PolarHBondContact O-N 2.94Å; Q113-R115 VanDerWaalsContact C-N 3.31Å; Q113-R115 PolarHBondContact O-N 3.24Å; Q113-A116 PolarHBondContact O-N 3.4Å; Q113-V117 VanDerWaalsContact O-CG2 3.28Å; Q113-V117 WeakPolarHBondContact O-CG2 3.44Å; Q113-V117 PolarHBondContact O-N 2.95Å; Q113-Y144 PolarHBondContact OE1-OH 3.32Å
114	L	91.2	Very high	84.1	Confident	117 Å²	117	97.1 Å²	97.1	61%	0.613	50%	0.495	S	S	*	.	H	α-helix	trans	-62.3	-39.2	177.7	-174.1	64.5	0	0	0	111.9	Q110 L111 K118	Q110-L114 WeakPolarHBondContact O-CB 3.25Å; Q110-L114 PolarHBondContact O-N 3.21Å; L111-L114 PolarHBondContact O-N 3.07Å; L114-K118 WeakPolarHBondContact O-CB 3.47Å; L114-K118 PolarHBondContact O-N 3.45Å
115	R	90.6	Very high	81.7	Confident	172 Å²	172	102.7 Å²	102.7	65%	0.649	52%	0.519	S	S	*	.	H	α-helix	trans	-64.3	-45.5	175.5	-172.1	-176.3	-66.1	134	-0.9	111.4	L111 E112 Q113 V117 K118 S119	L111-R115 WeakPolarHBondContact O-CB 3.45Å; L111-R115 PolarHBondContact O-N 2.69Å; E112-R115 PolarHBondContact O-N 3.27Å; Q113-R115 VanDerWaalsContact C-N 3.31Å; Q113-R115 PolarHBondContact O-N 3.24Å; R115-V117 VanDerWaalsContact C-N 3.35Å; R115-V117 PolarHBondContact O-N 3.41Å; R115-K118 PolarHBondContact O-N 3.32Å; R115-S119 PolarHBondContact O-N 3.37Å; R115-S119 PolarHBondContact O-OG 3.46Å
116	A	89.3	Confident	79.6	Confident	55 Å²	55	105 Å²	105	46%	0.455	53%	0.529	S	S	.	.	H	α-helix	trans	-62.3	-41	178.2	0	0	0	0	0	112.2	E112 Q113 S119 A120	E112-A116 WeakPolarHBondContact O-CB 3.47Å; E112-A116 PolarHBondContact O-N 2.91Å; Q113-A116 PolarHBondContact O-N 3.4Å; A116-S119 WeakPolarHBondContact CA-OG 3.38Å; A116-S119 PolarHBondContact O-N 3.04Å; A116-S119 PolarHBondContact O-OG 3.4Å; A116-A120 PolarHBondContact O-N 2.89Å; A116-A120 VanDerWaalsContact O-N 3.08Å
117	V	87.6	Confident	77.7	Confident	60 Å²	60	110.5 Å²	110.5	36%	0.364	56%	0.555	S	S	.	*	H	α-helix	trans	-63.7	-42.5	174.5	171.4	0	0	0	0	111	Q113 R115 A120 V121 L137	Q113-V117 VanDerWaalsContact O-CG2 3.28Å; Q113-V117 WeakPolarHBondContact O-CG2 3.44Å; Q113-V117 PolarHBondContact O-N 2.95Å; R115-V117 VanDerWaalsContact C-N 3.35Å; R115-V117 PolarHBondContact O-N 3.41Å; V117-A120 PolarHBondContact O-N 2.88Å; V117-V121 WeakPolarHBondContact O-CG2 3.37Å; V117-V121 PolarHBondContact O-N 2.87Å; V117-L137 HydrophobicContact CG1-CD1 3.18Å
118	K	85.2	Confident	75.8	Confident	137 Å²	137	113.6 Å²	113.6	60%	0.596	57%	0.574	S	S	*	*	H	α-helix	trans	-68.3	-35.4	178.5	-171.3	175.2	-178.4	176.5	0	112.9	L114 R115	L114-K118 WeakPolarHBondContact O-CB 3.47Å; L114-K118 PolarHBondContact O-N 3.45Å; R115-K118 PolarHBondContact O-N 3.32Å
119	S	79.9	Confident	74	Confident	70 Å²	70	107 Å²	107	49%	0.49	56%	0.556	S	S	.	*	H	α-helix	trans	-70.1	-36.5	175.2	53.8	0	0	0	0	112.3	R115 A116 V121 K122	R115-S119 PolarHBondContact O-N 3.37Å; R115-S119 PolarHBondContact O-OG 3.46Å; A116-S119 WeakPolarHBondContact CA-OG 3.38Å; A116-S119 PolarHBondContact O-N 3.04Å; A116-S119 PolarHBondContact O-OG 3.4Å; S119-V121 PolarHBondContact O-N 3.01Å; S119-K122 PolarHBondContact O-N 3.43Å
120	A	77	Confident	72.2	Confident	62 Å²	62	108 Å²	108	51%	0.512	56%	0.56	S	S	.	*	H	α-helix	trans	-65.5	-24	177	0	0	0	0	0	113.8	A116 V117	A116-A120 PolarHBondContact O-N 2.89Å; A116-A120 VanDerWaalsContact O-N 3.08Å; V117-A120 PolarHBondContact O-N 2.88Å
121	V	69.5	Low	70.6	Confident	77 Å²	77	107.7 Å²	107.7	47%	0.467	57%	0.567	S	S	.	*	H	α-helix	trans	-80.9	-22.5	174	176.6	0	0	0	0	111.9	V117 S119 D123 L137	V117-V121 WeakPolarHBondContact O-CG2 3.37Å; V117-V121 PolarHBondContact O-N 2.87Å; S119-V121 PolarHBondContact O-N 3.01Å; V121-D123 PolarHBondContact O-N 2.93Å; V121-L137 HydrophobicContact CG2-CD2 4.28Å
122	K	59.6	Low	69.2	Low	151 Å²	151	107.6 Å²	107.6	66%	0.657	57%	0.567	S	S	*	*	S	Bend	trans	-87.2	5.5	-177.1	-75.7	-174	174.1	-165.2	0	115.3	S119 P124	S119-K122 PolarHBondContact O-N 3.43Å; K122-P124 WeakPolarHBondContact O-CD 3.34Å
123	D	53	Low	67.8	Low	127 Å²	127	108.9 Å²	108.9	68%	0.679	57%	0.571	S	S	*	*			trans	-100.9	85.5	161	-96.7	-43	0	0	0	110.6	V121 K133	V121-D123 PolarHBondContact O-N 2.93Å; D123-K133 PolarHBondContact O-NZ 2.98Å
124	P	51.3	Low	66.6	Low	82 Å²	82	107.3 Å²	107.3	53%	0.532	57%	0.574	S	S	.	*			trans	-109.1	93.6	167.6	37.4	-24.9	0	0	0	109.2	K122	K122-P124 WeakPolarHBondContact O-CD 3.34Å
125	H	44.9	Very low	65.6	Low	195 Å²	195	107.8 Å²	107.8	90%	0.903	57%	0.571	S	S	*	*			trans	-125	26.7	161.3	-141.3	-61.9	0	0	0	112
126	D	49.8	Very low	64.7	Low	115 Å²	115	105.7 Å²	105.7	62%	0.615	57%	0.569	S	S	*	*			trans	-143	86.9	178.5	-148.8	-8	0	0	0	109.6	N128 A129	D126-N128 PolarHBondContact O-N 2.94Å; D126-A129 HydrophobicContact CB-CB 4.38Å; D126-A129 PolarHBondContact O-N 2.95Å
127	E	54	Low	63.7	Low	185 Å²	185	105.7 Å²	105.7	86%	0.864	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.3	0.1	-173.3	-73	-165.5	150.6	0	0	114.8
128	N	53.6	Low	62.9	Low	153 Å²	153	105.7 Å²	105.7	82%	0.818	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	-7.1	173.4	-84.9	-40.9	0	0	0	114.7	D126	D126-N128 PolarHBondContact O-N 2.94Å
129	A	55.2	Low	62.4	Low	32 Å²	32	105.5 Å²	105.5	26%	0.264	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.2	-10.6	179	0	0	0	0	0	113.8	D126 S131 D132 K133	D126-A129 HydrophobicContact CB-CB 4.38Å; D126-A129 PolarHBondContact O-N 2.95Å; A129-S131 PolarHBondContact O-N 3.21Å; A129-D132 PolarHBondContact O-N 3.1Å; A129-K133 PolarHBondContact O-N 3.49Å
130	E	55.4	Low	61.9	Low	119 Å²	119	104.5 Å²	104.5	56%	0.556	55%	0.553	S	S	*	*	H	α-helix	trans	-71.5	-29.4	-169.7	-159.8	159.7	-167.6	0	0	113	A134	E130-A134 VanDerWaalsContact O-CB 3.32Å; E130-A134 WeakPolarHBondContact O-CB 3.32Å; E130-A134 PolarHBondContact O-N 3.41Å; E130-A134 VanDerWaalsContact O-N 3.1Å
131	S	60.2	Low	61.6	Low	71 Å²	71	106.5 Å²	106.5	50%	0.497	55%	0.554	S	S	.	*	H	α-helix	trans	-65.8	-40.2	175.6	-166.6	0	0	0	0	112.6	A129 K135	A129-S131 PolarHBondContact O-N 3.21Å; S131-K135 VanDerWaalsContact O-CG 3.27Å; S131-K135 WeakPolarHBondContact O-CG 3.47Å; S131-K135 PolarHBondContact O-N 3.43Å; S131-K135 VanDerWaalsContact O-N 3.14Å; S131-K135 PolarHBondContact OG-NZ 3.4Å
132	D	62.8	Low	61.7	Low	107 Å²	107	110.8 Å²	110.8	57%	0.572	56%	0.562	S	S	*	*	H	α-helix	trans	-81.9	-34.1	-175.6	-73.4	-16.5	0	0	0	112.2	A129 K135 H136	A129-D132 PolarHBondContact O-N 3.1Å; D132-K135 PolarHBondContact O-N 3.18Å; D132-K135 IonicContact OD1-NZ 3.32Å; D132-K135 PolarHBondContact OD1-NZ 3.34Å; D132-H136 WeakPolarHBondContact O-CB 3.49Å; D132-H136 PolarHBondContact O-N 2.91Å
133	K	63.5	Low	62	Low	108 Å²	108	108.1 Å²	108.1	47%	0.47	56%	0.555	S	S	.	*	H	α-helix	trans	-62.7	-42.9	170.3	-70.1	-177.2	-176.9	-177.9	0	111.5	D123 A129 H136 L137	D123-K133 PolarHBondContact O-NZ 2.98Å; A129-K133 PolarHBondContact O-N 3.49Å; K133-H136 PolarHBondContact O-N 2.89Å; K133-L137 WeakPolarHBondContact O-CB 3.46Å; K133-L137 PolarHBondContact O-N 2.94Å
134	A	65.7	Low	62	Low	58 Å²	58	107.6 Å²	107.6	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-63.8	-40.7	176.8	0	0	0	0	0	112.4	E130 L137 S138	E130-A134 VanDerWaalsContact O-CB 3.32Å; E130-A134 WeakPolarHBondContact O-CB 3.32Å; E130-A134 PolarHBondContact O-N 3.41Å; E130-A134 VanDerWaalsContact O-N 3.1Å; A134-L137 PolarHBondContact O-N 3.41Å; A134-S138 WeakPolarHBondContact O-CB 3.28Å; A134-S138 PolarHBondContact O-N 2.98Å
135	K	70.6	Confident	62.6	Low	127 Å²	127	112.2 Å²	112.2	55%	0.552	56%	0.556	S	S	*	*	H	α-helix	trans	-64.4	-40.7	173.6	-71.8	169.2	-164	160	0	112	S131 D132 S138 K139	S131-K135 VanDerWaalsContact O-CG 3.27Å; S131-K135 WeakPolarHBondContact O-CG 3.47Å; S131-K135 PolarHBondContact O-N 3.43Å; S131-K135 VanDerWaalsContact O-N 3.14Å; S131-K135 PolarHBondContact OG-NZ 3.4Å; D132-K135 PolarHBondContact O-N 3.18Å; D132-K135 IonicContact OD1-NZ 3.32Å; D132-K135 PolarHBondContact OD1-NZ 3.34Å; K135-S138 PolarHBondContact O-N 3.4Å; K135-K139 WeakPolarHBondContact O-CB 3.14Å; K135-K139 PolarHBondContact O-N 2.99Å
136	H	70.2	Confident	63.1	Low	129 Å²	129	107.9 Å²	107.9	60%	0.597	54%	0.543	S	S	*	.	H	α-helix	trans	-66	-43.8	177.9	-164	67.2	0	0	0	111.5	D132 K133 S138 K139 T140	D132-H136 WeakPolarHBondContact O-CB 3.49Å; D132-H136 PolarHBondContact O-N 2.91Å; K133-H136 PolarHBondContact O-N 2.89Å; H136-S138 PolarHBondContact O-N 2.99Å; H136-K139 WeakPolarHBondContact O-CB 3.09Å; H136-K139 PolarHBondContact O-N 3.42Å; H136-K139 VanDerWaalsContact O-N 3.17Å; H136-T140 PolarHBondContact O-N 3.1Å; H136-T140 PolarHBondContact O-OG1 3.18Å; H136-T140 VanDerWaalsContact O-OG1 3.08Å
137	L	68.3	Low	63.1	Low	55 Å²	55	111.1 Å²	111.1	29%	0.288	55%	0.552	S	S	.	*	H	α-helix	trans	-61	-43.9	175.7	-172.3	67.5	0	0	0	111.9	V117 V121 K133 A134 K139 T140 I141	V117-L137 HydrophobicContact CG1-CD1 3.18Å; V121-L137 HydrophobicContact CG2-CD2 4.28Å; K133-L137 WeakPolarHBondContact O-CB 3.46Å; K133-L137 PolarHBondContact O-N 2.94Å; A134-L137 PolarHBondContact O-N 3.41Å; L137-K139 VanDerWaalsContact C-N 3.3Å; L137-K139 PolarHBondContact O-N 3.16Å; L137-T140 PolarHBondContact O-N 3.35Å; L137-I141 HydrophobicContact CD1-CD1 4.33Å; L137-I141 HydrophobicContact CG-CD1 3.93Å; L137-I141 VanDerWaalsContact O-CG1 3.31Å; L137-I141 WeakPolarHBondContact O-CG1 3.1Å; L137-I141 PolarHBondContact O-N 3.15Å
138	S	72.3	Confident	63.1	Low	59 Å²	59	107.9 Å²	107.9	41%	0.413	55%	0.545	S	S	.	.	H	α-helix	trans	-59.8	-40.8	175	-173.1	0	0	0	0	112	A134 K135 H136 R142	A134-S138 WeakPolarHBondContact O-CB 3.28Å; A134-S138 PolarHBondContact O-N 2.98Å; K135-S138 PolarHBondContact O-N 3.4Å; H136-S138 PolarHBondContact O-N 2.99Å; S138-R142 VanDerWaalsContact O-CB 3.29Å; S138-R142 WeakPolarHBondContact O-CB 3.29Å; S138-R142 PolarHBondContact O-N 3.45Å
139	K	73.8	Confident	62.6	Low	134 Å²	134	113 Å²	113	58%	0.583	56%	0.56	S	S	*	*	H	α-helix	trans	-66.8	-42.3	177	-166.9	172.5	-178	177.4	0	111.7	K135 H136 L137 R142 N143	K135-K139 WeakPolarHBondContact O-CB 3.14Å; K135-K139 PolarHBondContact O-N 2.99Å; H136-K139 WeakPolarHBondContact O-CB 3.09Å; H136-K139 PolarHBondContact O-N 3.42Å; H136-K139 VanDerWaalsContact O-N 3.17Å; L137-K139 VanDerWaalsContact C-N 3.3Å; L137-K139 PolarHBondContact O-N 3.16Å; K139-R142 PolarHBondContact O-N 3.34Å; K139-N143 VanDerWaalsContact O-CG 3.27Å; K139-N143 PolarHBondContact O-N 3.35Å; K139-N143 PolarHBondContact O-OD1 3.48Å
140	T	69.6	Low	62.9	Low	48 Å²	48	117.1 Å²	117.1	29%	0.294	58%	0.575	S	S	.	*	H	α-helix	trans	-66.4	-45	178.4	-58.1	0	0	0	0	112	H136 L137 R142 N143 Y144	H136-T140 PolarHBondContact O-N 3.1Å; H136-T140 PolarHBondContact O-OG1 3.18Å; H136-T140 VanDerWaalsContact O-OG1 3.08Å; L137-T140 PolarHBondContact O-N 3.35Å; T140-R142 VanDerWaalsContact C-N 3.32Å; T140-R142 PolarHBondContact O-N 2.99Å; T140-N143 PolarHBondContact O-N 3.4Å; T140-Y144 HydrophobicContact CG2-CD2 4.3Å; T140-Y144 HydrophobicContact CG2-CE2 4.48Å; T140-Y144 PolarHBondContact O-N 3.38Å
141	I	71.3	Confident	63.3	Low	104 Å²	104	117 Å²	117	53%	0.533	58%	0.576	S	S	.	*	H	α-helix	trans	-62.3	-41.4	175.9	-66.9	168.8	0	0	0	110.8	L137 N143 Y144 K145	L137-I141 HydrophobicContact CD1-CD1 4.33Å; L137-I141 HydrophobicContact CG-CD1 3.93Å; L137-I141 VanDerWaalsContact O-CG1 3.31Å; L137-I141 WeakPolarHBondContact O-CG1 3.1Å; L137-I141 PolarHBondContact O-N 3.15Å; I141-N143 PolarHBondContact O-N 3Å; I141-Y144 PolarHBondContact O-N 2.74Å; I141-K145 PolarHBondContact O-N 2.98Å; I141-K145 VanDerWaalsContact O-N 3.07Å
142	R	71.5	Confident	63.5	Low	168 Å²	168	119.6 Å²	119.6	63%	0.634	58%	0.58	S	S	*	*	H	α-helix	trans	-61.4	-44	177.4	-171.7	-177.8	-59.5	174.9	2.3	111.9	S138 K139 T140 K145 T146	S138-R142 VanDerWaalsContact O-CB 3.29Å; S138-R142 WeakPolarHBondContact O-CB 3.29Å; S138-R142 PolarHBondContact O-N 3.45Å; K139-R142 PolarHBondContact O-N 3.34Å; T140-R142 VanDerWaalsContact C-N 3.32Å; T140-R142 PolarHBondContact O-N 2.99Å; R142-K145 PolarHBondContact O-N 2.81Å; R142-T146 PolarHBondContact O-N 3.34Å; R142-T146 PolarHBondContact O-OG1 2.85Å
143	N	64.9	Low	63.5	Low	95 Å²	95	120.3 Å²	120.3	51%	0.508	58%	0.581	S	S	.	*	H	α-helix	trans	-64.6	-39.9	177.9	-71.5	-4	0	0	0	111.8	K139 T140 I141 K145 T146 F147	K139-N143 VanDerWaalsContact O-CG 3.27Å; K139-N143 PolarHBondContact O-N 3.35Å; K139-N143 PolarHBondContact O-OD1 3.48Å; T140-N143 PolarHBondContact O-N 3.4Å; I141-N143 PolarHBondContact O-N 3Å; N143-K145 VanDerWaalsContact C-N 3.33Å; N143-K145 PolarHBondContact O-N 2.96Å; N143-T146 PolarHBondContact O-N 2.97Å; N143-T146 VanDerWaalsContact O-N 3.17Å; N143-T146 PolarHBondContact O-OG1 3.29Å; N143-F147 PolarHBondContact O-N 3.03Å
144	Y	54.4	Low	63.5	Low	115 Å²	115	121.1 Å²	121.1	45%	0.451	59%	0.587	S	S	.	*	H	α-helix	trans	-62.3	-39.2	174.7	-99.6	-94.1	0	0	0	112.4	Q113 T140 I141 T146 F147	Q113-Y144 PolarHBondContact OE1-OH 3.32Å; T140-Y144 HydrophobicContact CG2-CD2 4.3Å; T140-Y144 HydrophobicContact CG2-CE2 4.48Å; T140-Y144 PolarHBondContact O-N 3.38Å; I141-Y144 PolarHBondContact O-N 2.74Å; Y144-T146 PolarHBondContact O-N 2.93Å; Y144-F147 PolarHBondContact O-N 3.14Å
145	K	63.1	Low	63.4	Low	179 Å²	179	125.3 Å²	125.3	78%	0.778	60%	0.595	S	S	*	*	H	α-helix	trans	-68.3	-19.5	177.7	-162	170.8	-175.5	175.4	0	113.4	I141 R142 N143	I141-K145 PolarHBondContact O-N 2.98Å; I141-K145 VanDerWaalsContact O-N 3.07Å; R142-K145 PolarHBondContact O-N 2.81Å; N143-K145 VanDerWaalsContact C-N 3.33Å; N143-K145 PolarHBondContact O-N 2.96Å
146	T	56	Low	62.9	Low	104 Å²	104	125.1 Å²	125.1	64%	0.638	60%	0.598	S	S	*	*	H	α-helix	trans	-87.9	-15.1	178	-0.5	0	0	0	0	113.4	R142 N143 Y144	R142-T146 PolarHBondContact O-N 3.34Å; R142-T146 PolarHBondContact O-OG1 2.85Å; N143-T146 PolarHBondContact O-N 2.97Å; N143-T146 VanDerWaalsContact O-N 3.17Å; N143-T146 PolarHBondContact O-OG1 3.29Å; Y144-T146 PolarHBondContact O-N 2.93Å
147	F	48.9	Very low	62.3	Low	184 Å²	184	124.8 Å²	124.8	81%	0.807	60%	0.598	S	S	*	*	S	Bend	trans	-97.4	-3.6	-178.3	-154.8	-97.4	0	0	0	113.6	N143 Y144	N143-F147 PolarHBondContact O-N 3.03Å; Y144-F147 PolarHBondContact O-N 3.14Å
148	V	53.7	Low	61.8	Low	117 Å²	117	130.7 Å²	130.7	71%	0.709	62%	0.624	S	S	*	*			trans	-111	40.3	-178.5	-169.7	0	0	0	0	111.3
149	K	42.5	Very low	60.9	Low	261 Å²	261	137.2 Å²	137.2	100%	1.135	64%	0.643	S	S	*	*			trans	-132.9	0	167.3	-97.2	-170	174.6	-174.8	0	108.6

Retrieved 149 of 149 residues in 207.6 ms (Link to these results)

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