A0A096NN27_PAPAN Loading...

RGS domain-containing protein

AlphaFold DB (G7PFG6), UniProt , Accession A0A096NN27, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 217 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.1	Very low	40.8	Very low	235 Å²	235	153.7 Å²	153.7	100%	1.158	82%	0.818	S	S	*	*				0	122.1	0	-55.4	-47.6	-176	0	0	106.6
2	P	41.3	Very low	40.2	Very low	127 Å²	127	151.3 Å²	151.3	83%	0.825	81%	0.813	S	S	*	*				-134.8	168.9	58.7	39	-24.5	0	0	0	116.7
3	T	45	Very low	39.5	Very low	131 Å²	131	145.3 Å²	145.3	80%	0.804	81%	0.809	S	S	*	*			trans	-122	170.3	148.9	47	0	0	0	0	106
4	P	55.7	Low	40	Very low	111 Å²	111	144.8 Å²	144.8	72%	0.721	82%	0.815	S	S	*	*			cis	-129.1	-145.1	16.9	37.6	-13.5	0	0	0	111.6
5	H	35.3	Very low	39.8	Very low	144 Å²	144	147.1 Å²	147.1	67%	0.667	82%	0.817	S	S	*	*			cis	-153.9	163	7.4	-145.9	-111.9	0	0	0	110.2
6	E	36.5	Very low	39.5	Very low	165 Å²	165	150.4 Å²	150.4	77%	0.771	82%	0.824	S	S	*	*			trans	18	139.7	155.8	-72.7	171.2	164.7	0	0	124.1
7	A	37.6	Very low	39.5	Very low	105 Å²	105	147 Å²	147	87%	0.868	82%	0.82	S	S	*	*				-167.1	136.7	102.5	0	0	0	0	0	112.9
8	E	38.7	Very low	39.2	Very low	150 Å²	150	147.2 Å²	147.2	70%	0.701	82%	0.819	S	S	*	*			trans	-96.3	145.5	-177.4	-169	178.6	125.8	0	0	111.7	Q10	E8-Q10 PolarHBondContact OE1-NE2 2.66Å
9	K	39	Very low	39.3	Very low	210 Å²	210	150.7 Å²	150.7	91%	0.913	82%	0.819	S	S	*	*			trans	-144.2	112.2	157.6	-80.9	-157	176.1	-173.3	0	112.3
10	Q	38.7	Very low	39.5	Very low	157 Å²	157	148.8 Å²	148.8	73%	0.734	81%	0.814	S	S	*	*			trans	-80.8	151.1	166.2	-59.4	162.5	1.5	0	0	110	E8	E8-Q10 PolarHBondContact OE1-NE2 2.66Å
11	N	33.8	Very low	39.5	Very low	156 Å²	156	147.9 Å²	147.9	83%	0.834	82%	0.816	S	S	*	*			trans	-156.8	137.8	140.7	-139.1	12.4	0	0	0	113.2
12	T	34	Very low	39	Very low	125 Å²	125	142.4 Å²	142.4	77%	0.767	80%	0.8	S	S	*	*			trans	-49.8	142.1	171.8	51	0	0	0	0	113.5
13	G	30.9	Very low	39	Very low	73 Å²	73	144.7 Å²	144.7	75%	0.753	80%	0.802	S	S	*	*				110.1	166.1	64.5	0	0	0	0	0	109.6
14	P	46.3	Very low	38.6	Very low	138 Å²	138	144 Å²	144	90%	0.896	80%	0.803	S	S	*	*			cis	-127.7	-157.7	0.8	44.3	-26.7	0	0	0	114.1
15	E	37.6	Very low	37.8	Very low	180 Å²	180	143 Å²	143	84%	0.841	80%	0.799	S	S	*	*			trans	-89	147.8	-168.5	175.9	-177.3	107.6	0	0	115.3
16	E	34.8	Very low	37.9	Very low	200 Å²	200	143.6 Å²	143.6	94%	0.935	80%	0.801	S	S	*	*			trans	-149.3	149	148.6	-124.6	-166.3	163.8	0	0	110.3
17	A	38.4	Very low	37.8	Very low	92 Å²	92	142.7 Å²	142.7	76%	0.76	80%	0.802	S	S	*	*			trans	-136.5	133.4	-173.1	0	0	0	0	0	111.7
18	D	35.5	Very low	37.7	Very low	150 Å²	150	142.1 Å²	142.1	80%	0.802	80%	0.797	S	S	*	*			trans	-149.2	121.7	162.5	-142.3	-35.5	0	0	0	114.1
19	R	40	Very low	37.8	Very low	214 Å²	214	139.3 Å²	139.3	81%	0.808	80%	0.8	S	S	*	*			trans	46.6	130.1	149.8	-177.4	174.7	-67.4	-145.4	-5	122.7
20	P	44.1	Very low	38.3	Very low	112 Å²	112	134.6 Å²	134.6	73%	0.727	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-81.5	150.2	163.8	35.3	-34	0	0	0	112.3
21	P	39.8	Very low	38.5	Very low	130 Å²	130	133.2 Å²	133.2	84%	0.844	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-74.5	137.9	171.7	29.7	-32.4	0	0	0	112.1
22	S	35.7	Very low	39	Very low	120 Å²	120	130.4 Å²	130.4	84%	0.839	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-76	159.5	178.8	-179.9	0	0	0	0	113
23	M	41	Very low	40	Very low	175 Å²	175	128.6 Å²	128.6	86%	0.862	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-62.3	147.8	176.5	-56.1	176.1	70.3	0	0	113.4
24	S	36.6	Very low	40.7	Very low	117 Å²	117	130.9 Å²	130.9	82%	0.818	79%	0.793	S	S	*	*			trans	-131.4	121.5	145.5	69.4	0	0	0	0	109.6
25	S	39.6	Very low	41	Very low	91 Å²	91	129.4 Å²	129.4	64%	0.636	79%	0.786	S	S	*	*			trans	-69	145.2	170.9	44.7	0	0	0	0	111.4
26	H	37.6	Very low	41.9	Very low	155 Å²	155	131.5 Å²	131.5	72%	0.718	79%	0.786	S	S	*	*				174	122.6	122.5	-96	-71.4	0	0	0	111.4
27	D	34.1	Very low	42.6	Very low	146 Å²	146	125.9 Å²	125.9	78%	0.781	76%	0.762	S	S	*	*			trans	57.5	127.5	150.5	-49.4	-51.2	0	0	0	119.9
28	A	34.9	Very low	43.2	Very low	94 Å²	94	127 Å²	127	78%	0.777	76%	0.762	S	S	*	*			cis	-149.2	145.5	-1.6	0	0	0	0	0	110.2
29	A	41.5	Very low	44	Very low	91 Å²	91	123.6 Å²	123.6	75%	0.752	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-72.7	141.4	175.4	0	0	0	0	0	110.9
30	P	49.5	Very low	44.6	Very low	111 Å²	111	117 Å²	117	72%	0.721	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-60.8	147.6	167.8	28.1	-34.1	0	0	0	109.5	A32	P30-A32 PolarHBondContact O-N 2.78Å
31	P	42.8	Very low	45	Very low	128 Å²	128	119.5 Å²	119.5	83%	0.831	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-58.3	127.5	-178.2	24.2	-33.5	0	0	0	109.9	A33	P31-A33 PolarHBondContact O-N 3.38Å
32	A	45.3	Very low	45.2	Very low	96 Å²	96	116.4 Å²	116.4	79%	0.793	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-55	132.2	179.1	0	0	0	0	0	110	P30	P30-A32 PolarHBondContact O-N 2.78Å
33	A	53.2	Low	46.5	Very low	87 Å²	87	116.7 Å²	116.7	72%	0.719	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-54.6	139.4	172	0	0	0	0	0	109.3	P31 S35	P31-A33 PolarHBondContact O-N 3.38Å; A33-S35 PolarHBondContact O-N 3.23Å; A33-S35 VanDerWaalsContact O-N 3.16Å
34	P	46.9	Very low	47.2	Very low	121 Å²	121	113.6 Å²	113.6	79%	0.786	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-57.5	125.6	-176.4	23.3	-33.4	0	0	0	109.6	R36	P34-R36 PolarHBondContact O-N 2.86Å
35	S	51.8	Low	47.6	Very low	107 Å²	107	111.8 Å²	111.8	75%	0.748	69%	0.685	S	S	*	*			trans	-58.4	106.2	-178.5	43.8	0	0	0	0	109.9	A33 N37	A33-S35 PolarHBondContact O-N 3.23Å; A33-S35 VanDerWaalsContact O-N 3.16Å; S35-N37 PolarHBondContact O-N 2.87Å
36	R	55.8	Low	48.7	Very low	224 Å²	224	113.8 Å²	113.8	85%	0.845	70%	0.698	S	S	*	*			trans	-60.4	112.5	172.6	-83.9	-178.6	156.1	-165.7	-8.3	108.1	P34	P34-R36 PolarHBondContact O-N 2.86Å
37	N	51	Low	49	Very low	83 Å²	83	110.8 Å²	110.8	44%	0.444	69%	0.693	S	S	.	*			trans	-55.5	130.4	-178.9	-89.6	-19.3	0	0	0	110.5	S35 C39 C40	S35-N37 PolarHBondContact O-N 2.87Å; N37-C39 PolarHBondContact O-N 3.38Å; N37-C40 PolarHBondContact O-N 3.14Å; N37-C40 PolarHBondContact O-SG 2.86Å
38	P	51.3	Low	49.8	Very low	114 Å²	114	110.3 Å²	110.3	74%	0.74	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-66.6	-10.7	-174.4	24.9	-33.9	0	0	0	114	C40	P38-C40 PolarHBondContact O-N 3.5Å
39	C	52.5	Low	50.5	Low	79 Å²	79	108.6 Å²	108.6	53%	0.534	68%	0.683	S	S	.	*	G	3₁₀ helix	trans	-66.7	-16.3	173.5	63.5	0	0	0	0	114	N37 L41	N37-C39 PolarHBondContact O-N 3.38Å; C39-L41 VanDerWaalsContact C-N 3.31Å; C39-L41 PolarHBondContact O-N 2.99Å
40	C	51.1	Low	51.1	Low	76 Å²	76	107 Å²	107	51%	0.514	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-80.5	-3.5	-171.3	-61.1	0	0	0	0	115.4	N37 P38	N37-C40 PolarHBondContact O-N 3.14Å; N37-C40 PolarHBondContact O-SG 2.86Å; P38-C40 PolarHBondContact O-N 3.5Å
41	L	53.2	Low	51.1	Low	165 Å²	165	110 Å²	110	86%	0.864	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-106.6	-6.2	-175.2	-71.5	167	0	0	0	114.4	C39	C39-L41 VanDerWaalsContact C-N 3.31Å; C39-L41 PolarHBondContact O-N 2.99Å
42	C	44.3	Very low	51.9	Low	64 Å²	64	106.5 Å²	106.5	43%	0.432	64%	0.638	S	S	.	*			trans	-109.8	98.2	176.2	-170.8	0	0	0	0	111.2	C44 C45	C42-C44 PolarHBondContact O-N 3.45Å; C42-C44 VanDerWaalsContact O-N 3.14Å; C42-C45 HydrophobicContact CB-CB 3.96Å; C42-C45 PolarHBondContact O-N 3.34Å
43	W	62.9	Low	52.8	Low	127 Å²	127	107 Å²	107	48%	0.481	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.1	-20.1	178.3	-166	-107.4	0	0	0	114.4	R140 Y143 M169	W43-R140 HydrophobicContact CH2-CG 4.47Å; W43-R140 HydrophobicContact CZ3-CG 4.12Å; W43-Y143 AromaticContact CE2-CE1 3.99Å; W43-Y143 HydrophobicContact CH2-CD1 4.09Å; W43-Y143 HydrophobicContact CH2-CG 4.06Å; W43-Y143 AromaticContact CZ2-CD1 3.39Å; W43-Y143 HydrophobicContact CZ2-CD1 3.39Å; W43-Y143 AromaticContact CZ2-CD2 3.87Å; W43-Y143 HydrophobicContact CZ2-CD2 3.87Å; W43-Y143 AromaticContact CZ2-CE1 3.51Å; W43-Y143 HydrophobicContact CZ2-CE1 3.51Å; W43-Y143 AromaticContact CZ2-CE2 3.94Å; W43-Y143 HydrophobicContact CZ2-CE2 3.94Å; W43-Y143 AromaticContact CZ2-CG 3.6Å; W43-Y143 HydrophobicContact CZ2-CG 3.6Å; W43-Y143 AromaticContact CZ2-CZ 3.77Å; W43-Y143 AromaticContact NE1-CE1 3.9Å; W43-Y143 AromaticContact NE1-CZ 3.89Å; W43-M169 HydrophobicContact CH2-CB 4.23Å; W43-M169 HydrophobicContact CH2-CE 3.56Å; W43-M169 HydrophobicContact CH2-CG 4.22Å; W43-M169 HydrophobicContact CZ2-CB 4.28Å; W43-M169 HydrophobicContact CZ2-CE 4.4Å; W43-M169 HydrophobicContact CZ2-CG 4.2Å; W43-M169 HydrophobicContact CZ3-CE 4.23Å
44	C	56.1	Low	53.5	Low	109 Å²	109	107.3 Å²	107.3	74%	0.736	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	9.7	-178.5	-81.5	0	0	0	0	114.7	C42 C46	C42-C44 PolarHBondContact O-N 3.45Å; C42-C44 VanDerWaalsContact O-N 3.14Å; C44-C46 PolarHBondContact O-N 3.2Å
45	C	44.3	Very low	54.4	Low	80 Å²	80	106.4 Å²	106.4	54%	0.541	59%	0.591	S	S	.	*			trans	-74.6	98.4	177	-101.7	0	0	0	0	111.2	C42 C47	C42-C45 HydrophobicContact CB-CB 3.96Å; C42-C45 PolarHBondContact O-N 3.34Å; C45-C47 PolarHBondContact O-N 3.02Å
46	C	61.8	Low	55.1	Low	133 Å²	133	104.8 Å²	104.8	90%	0.899	57%	0.569	S	S	*	*			trans	-49.4	95.8	160.1	-65.6	0	0	0	0	110.2	C44	C44-C46 PolarHBondContact O-N 3.2Å
47	C	44.6	Very low	55.8	Low	92 Å²	92	100.3 Å²	100.3	62%	0.622	55%	0.552	S	S	*	*			trans	-141.5	120.5	-179.9	-103.1	0	0	0	0	110.8	C45 C49	C45-C47 PolarHBondContact O-N 3.02Å; C47-C49 PolarHBondContact O-N 3.3Å
48	S	51.4	Low	56.7	Low	135 Å²	135	99.3 Å²	99.3	94%	0.944	56%	0.555	S	S	*	*			trans	-69.3	50.2	169.3	-50.2	0	0	0	0	111.8	S50	S48-S50 PolarHBondContact O-N 3.09Å; S48-S50 VanDerWaalsContact O-N 3.11Å
49	C	49.3	Very low	57.5	Low	59 Å²	59	95.4 Å²	95.4	40%	0.399	53%	0.526	S	S	.	.			trans	-71	103.6	172.8	-72.8	0	0	0	0	108.5	C47 W51 N52	C47-C49 PolarHBondContact O-N 3.3Å; C49-W51 PolarHBondContact O-N 3.24Å; C49-N52 PolarHBondContact O-N 3.44Å
50	S	53.2	Low	58.2	Low	58 Å²	58	94.8 Å²	94.8	41%	0.406	52%	0.515	S	S	.	.	H	α-helix	trans	-47.5	-33.4	178.4	-152.5	0	0	0	0	112	S48 N52 Q53 E54	S48-S50 PolarHBondContact O-N 3.09Å; S48-S50 VanDerWaalsContact O-N 3.11Å; S50-N52 PolarHBondContact O-N 3.46Å; S50-Q53 CarbonylContact O-C 3.58Å; S50-Q53 PolarHBondContact O-N 3.24Å; S50-Q53 VanDerWaalsContact O-N 3.15Å; S50-E54 VanDerWaalsContact CB-OE1 3.3Å; S50-E54 WeakPolarHBondContact CB-OE1 3.49Å; S50-E54 WeakPolarHBondContact O-CB 3.46Å; S50-E54 WeakPolarHBondContact O-CG 3.31Å; S50-E54 PolarHBondContact O-N 3.35Å; S50-E54 PolarHBondContact OG-OE1 3.09Å
51	W	51.3	Low	59	Low	172 Å²	172	93.9 Å²	93.9	65%	0.652	51%	0.513	S	S	*	.	H	α-helix	trans	-58.8	-41.6	176.9	-75.9	30.8	0	0	0	115.4	C49 R55	C49-W51 PolarHBondContact O-N 3.24Å; W51-R55 WeakPolarHBondContact O-CB 3.47Å; W51-R55 PolarHBondContact O-N 2.87Å
52	N	59.1	Low	59.6	Low	55 Å²	55	88.9 Å²	88.9	29%	0.294	49%	0.492	S	S	.	.	H	α-helix	trans	-74.2	-33.4	176.1	-167	8.3	0	0	0	110	C49 S50 R56 E144	C49-N52 PolarHBondContact O-N 3.44Å; S50-N52 PolarHBondContact O-N 3.46Å; N52-R56 PolarHBondContact ND2-NH2 3.14Å; N52-R56 VanDerWaalsContact ND2-NH2 3.17Å; N52-R56 VanDerWaalsContact O-CB 3.3Å; N52-R56 WeakPolarHBondContact O-CB 3.48Å; N52-R56 PolarHBondContact O-N 2.9Å; N52-E144 PolarHBondContact ND2-OE1 3.14Å; N52-E144 PolarHBondContact ND2-OE2 3.27Å
53	Q	63.8	Low	60.6	Low	108 Å²	108	86.7 Å²	86.7	51%	0.505	47%	0.474	S	S	.	.	H	α-helix	trans	-71.3	-38.6	176.7	-162.3	178.3	58	0	0	112.7	S50 R57	S50-Q53 CarbonylContact O-C 3.58Å; S50-Q53 PolarHBondContact O-N 3.24Å; S50-Q53 VanDerWaalsContact O-N 3.15Å; Q53-R57 WeakPolarHBondContact O-CB 3.09Å; Q53-R57 VanDerWaalsContact O-CG 3.27Å; Q53-R57 WeakPolarHBondContact O-CG 3.3Å; Q53-R57 PolarHBondContact O-N 3.26Å
54	E	67.5	Low	60.4	Low	93 Å²	93	86 Å²	86	44%	0.435	48%	0.477	S	S	.	.	H	α-helix	trans	-67.6	-41.3	172.7	-76.9	155.2	-152.8	0	0	111.3	S50 R57 A58	S50-E54 VanDerWaalsContact CB-OE1 3.3Å; S50-E54 WeakPolarHBondContact CB-OE1 3.49Å; S50-E54 WeakPolarHBondContact O-CB 3.46Å; S50-E54 WeakPolarHBondContact O-CG 3.31Å; S50-E54 PolarHBondContact O-N 3.35Å; S50-E54 PolarHBondContact OG-OE1 3.09Å; E54-R57 CarbonylContact O-C 3.3Å; E54-R57 PolarHBondContact O-N 3.2Å; E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.45Å; E54-A58 PolarHBondContact O-N 2.95Å
55	R	66.8	Low	60.2	Low	102 Å²	102	84.3 Å²	84.3	39%	0.385	47%	0.466	S	S	.	.	H	α-helix	trans	-66.2	-39.9	174.4	-167.4	176.2	-65.6	-130.7	4.6	111.5	W51 A58 W59 E137	W51-R55 WeakPolarHBondContact O-CB 3.47Å; W51-R55 PolarHBondContact O-N 2.87Å; R55-A58 PolarHBondContact O-N 3.03Å; R55-W59 VanDerWaalsContact O-CB 3.29Å; R55-W59 WeakPolarHBondContact O-CB 3.26Å; R55-W59 PolarHBondContact O-N 3.44Å; R55-E137 VanDerWaalsContact CD-OE1 3.26Å; R55-E137 WeakPolarHBondContact CD-OE1 3.41Å; R55-E137 WeakPolarHBondContact CG-OE1 3.36Å; R55-E137 IonicContact CZ-OE2 2.72Å; R55-E137 IonicContact NH1-OE1 3.77Å; R55-E137 IonicContact NH1-OE2 2.67Å; R55-E137 PolarHBondContact NH1-OE2 2.88Å
56	R	65.9	Low	60.5	Low	73 Å²	73	84.9 Å²	84.9	28%	0.275	46%	0.459	S	S	.	.	H	α-helix	trans	-61.8	-45.6	167.7	-92.8	-172.7	-103.1	-164.1	-6.6	112.4	N52 A58 W59 Q60 L141 E144	N52-R56 PolarHBondContact ND2-NH2 3.14Å; N52-R56 VanDerWaalsContact ND2-NH2 3.17Å; N52-R56 VanDerWaalsContact O-CB 3.3Å; N52-R56 WeakPolarHBondContact O-CB 3.48Å; N52-R56 PolarHBondContact O-N 2.9Å; R56-A58 VanDerWaalsContact C-N 3.32Å; R56-A58 PolarHBondContact O-N 2.64Å; R56-W59 PolarHBondContact O-N 3.18Å; R56-Q60 WeakPolarHBondContact O-CA 3.34Å; R56-Q60 WeakPolarHBondContact O-CB 3.37Å; R56-Q60 VanDerWaalsContact O-CG 3.22Å; R56-Q60 WeakPolarHBondContact O-CG 3.24Å; R56-Q60 PolarHBondContact O-N 2.69Å; R56-L141 HydrophobicContact CB-CD2 4.44Å; R56-L141 HydrophobicContact CG-CD2 3.37Å; R56-E144 IonicContact CZ-OE1 2.7Å; R56-E144 IonicContact CZ-OE2 3.12Å; R56-E144 IonicContact NE-OE2 2.83Å; R56-E144 PolarHBondContact NE-OE2 3.47Å; R56-E144 IonicContact NH1-OE2 2.66Å; R56-E144 IonicContact NH2-OE1 2.87Å; R56-E144 PolarHBondContact NH2-OE1 3.37Å; R56-E144 IonicContact NH2-OE2 2.9Å; R56-E144 PolarHBondContact NH2-OE2 3.27Å
57	R	70.2	Confident	59.9	Low	129 Å²	129	82.1 Å²	82.1	49%	0.487	44%	0.435	S	S	.	.	H	α-helix	trans	-61.6	-39.4	174.7	-76.7	176	-170.6	120.6	2.7	111.9	Q53 E54 A61	Q53-R57 WeakPolarHBondContact O-CB 3.09Å; Q53-R57 VanDerWaalsContact O-CG 3.27Å; Q53-R57 WeakPolarHBondContact O-CG 3.3Å; Q53-R57 PolarHBondContact O-N 3.26Å; E54-R57 CarbonylContact O-C 3.3Å; E54-R57 PolarHBondContact O-N 3.2Å; R57-A61 WeakPolarHBondContact O-CA 3.38Å; R57-A61 WeakPolarHBondContact O-CB 3.4Å; R57-A61 PolarHBondContact O-N 3.5Å
58	A	70.4	Confident	59.6	Low	62 Å²	62	84 Å²	84	51%	0.512	44%	0.435	S	S	.	.	H	α-helix	trans	-71.4	-37.9	178.3	0	0	0	0	0	111.8	E54 R55 R56 S62	E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.45Å; E54-A58 PolarHBondContact O-N 2.95Å; R55-A58 PolarHBondContact O-N 3.03Å; R56-A58 VanDerWaalsContact C-N 3.32Å; R56-A58 PolarHBondContact O-N 2.64Å; A58-S62 WeakPolarHBondContact O-CA 3.19Å; A58-S62 WeakPolarHBondContact O-CB 3.44Å; A58-S62 PolarHBondContact O-N 2.71Å
59	W	68.1	Low	58.9	Low	33 Å²	33	83.4 Å²	83.4	13%	0.125	43%	0.427	C	S	.	.	H	α-helix	trans	-73	-41.1	174.6	-177.1	88.1	0	0	0	112.3	R55 R56 S62 R63 L141 I142 D145 Y146	R55-W59 VanDerWaalsContact O-CB 3.29Å; R55-W59 WeakPolarHBondContact O-CB 3.26Å; R55-W59 PolarHBondContact O-N 3.44Å; R56-W59 PolarHBondContact O-N 3.18Å; W59-S62 PolarHBondContact O-N 3.19Å; W59-R63 HydrophobicContact CD2-CG 4.39Å; W59-R63 VanDerWaalsContact CZ2-CD 3.49Å; W59-R63 VanDerWaalsContact CZ3-NH1 3.29Å; W59-R63 WeakPolarHBondContact O-CB 3.42Å; W59-R63 WeakPolarHBondContact O-CG 3.26Å; W59-R63 PolarHBondContact O-N 3.03Å; W59-L141 HydrophobicContact CB-CD1 3.89Å; W59-L141 HydrophobicContact CD2-CB 4.09Å; W59-L141 HydrophobicContact CD2-CD1 3.99Å; W59-L141 HydrophobicContact CD2-CG 4.5Å; W59-L141 HydrophobicContact CE3-CB 4.31Å; W59-L141 HydrophobicContact CG-CD1 3.58Å; W59-L141 HydrophobicContact CH2-CB 4.16Å; W59-L141 HydrophobicContact CZ2-CB 3.98Å; W59-L141 HydrophobicContact CZ3-CB 4.35Å; W59-I142 HydrophobicContact CZ2-CG1 4.34Å; W59-D145 HydrophobicContact CZ3-CB 4.47Å; W59-Y146 HydrophobicContact CH2-CE2 4.34Å
60	Q	68	Low	58.3	Low	65 Å²	65	85.6 Å²	85.6	30%	0.304	44%	0.435	S	S	.	.	H	α-helix	trans	-64.3	-47	172.4	-73.7	176.9	-12.8	0	0	109.9	R56 S62 R63 E64 D145	R56-Q60 WeakPolarHBondContact O-CA 3.34Å; R56-Q60 WeakPolarHBondContact O-CB 3.37Å; R56-Q60 VanDerWaalsContact O-CG 3.22Å; R56-Q60 WeakPolarHBondContact O-CG 3.24Å; R56-Q60 PolarHBondContact O-N 2.69Å; Q60-S62 VanDerWaalsContact C-N 3.35Å; Q60-S62 PolarHBondContact O-N 2.76Å; Q60-R63 CarbonylContact O-C 3.58Å; Q60-R63 PolarHBondContact O-N 2.96Å; Q60-E64 VanDerWaalsContact O-CB 3.25Å; Q60-E64 WeakPolarHBondContact O-CB 3.3Å; Q60-E64 PolarHBondContact O-N 3.35Å; Q60-D145 PolarHBondContact NE2-OD2 3.14Å
61	A	67.3	Low	57.8	Low	57 Å²	57	89 Å²	89	47%	0.471	46%	0.455	S	S	.	.	H	α-helix	trans	-66	-33.7	174.7	0	0	0	0	0	112.9	R57 S65	R57-A61 WeakPolarHBondContact O-CA 3.38Å; R57-A61 WeakPolarHBondContact O-CB 3.4Å; R57-A61 PolarHBondContact O-N 3.5Å; A61-S65 WeakPolarHBondContact O-CA 3.37Å; A61-S65 WeakPolarHBondContact O-CB 3.49Å; A61-S65 PolarHBondContact O-N 3.21Å
62	S	66.1	Low	56.9	Low	61 Å²	61	85.8 Å²	85.8	43%	0.427	46%	0.46	S	S	.	.	H	α-helix	trans	-66.3	-43.3	172.5	-178.7	0	0	0	0	110.8	A58 W59 Q60 S65 K66	A58-S62 WeakPolarHBondContact O-CA 3.19Å; A58-S62 WeakPolarHBondContact O-CB 3.44Å; A58-S62 PolarHBondContact O-N 2.71Å; W59-S62 PolarHBondContact O-N 3.19Å; Q60-S62 VanDerWaalsContact C-N 3.35Å; Q60-S62 PolarHBondContact O-N 2.76Å; S62-S65 PolarHBondContact O-N 3.24Å; S62-K66 WeakPolarHBondContact O-CB 3.43Å; S62-K66 VanDerWaalsContact O-CG 3.3Å; S62-K66 WeakPolarHBondContact O-CG 3.35Å; S62-K66 PolarHBondContact O-N 2.8Å
63	R	63.9	Low	55.7	Low	17 Å²	17	89 Å²	89	6%	0.064	49%	0.485	C	S	.	.	H	α-helix	trans	-66.4	-48.3	172.4	-73.2	-178.9	74.5	-153.3	3.9	111.6	W59 Q60 S65 K66 L67 L118 Y146	W59-R63 HydrophobicContact CD2-CG 4.39Å; W59-R63 VanDerWaalsContact CZ2-CD 3.49Å; W59-R63 VanDerWaalsContact CZ3-NH1 3.29Å; W59-R63 WeakPolarHBondContact O-CB 3.42Å; W59-R63 WeakPolarHBondContact O-CG 3.26Å; W59-R63 PolarHBondContact O-N 3.03Å; Q60-R63 CarbonylContact O-C 3.58Å; Q60-R63 PolarHBondContact O-N 2.96Å; R63-S65 PolarHBondContact O-N 2.84Å; R63-K66 CarbonylContact O-C 3.55Å; R63-K66 WeakPolarHBondContact O-CA 3.41Å; R63-K66 PolarHBondContact O-N 3.21Å; R63-L67 HydrophobicContact CB-CD1 4.37Å; R63-L67 WeakPolarHBondContact O-CB 3.39Å; R63-L67 WeakPolarHBondContact O-CD1 3.45Å; R63-L67 WeakPolarHBondContact O-CG 3.43Å; R63-L67 PolarHBondContact O-N 3.3Å; R63-L118 PolarHBondContact NH2-O 3.44Å; R63-Y146 PolarHBondContact NH1-OH 3.32Å; R63-Y146 PolarHBondContact NH2-OH 3.42Å
64	E	58.7	Low	54.6	Low	114 Å²	114	91 Å²	91	53%	0.533	49%	0.494	S	S	.	.	H	α-helix	trans	-56.3	-36.5	174.8	-150	90.9	-121.1	0	0	111	Q60 L67 Q68	Q60-E64 VanDerWaalsContact O-CB 3.25Å; Q60-E64 WeakPolarHBondContact O-CB 3.3Å; Q60-E64 PolarHBondContact O-N 3.35Å; E64-L67 CarbonylContact O-C 3.54Å; E64-L67 PolarHBondContact O-N 2.83Å; E64-Q68 WeakPolarHBondContact O-CB 3.49Å; E64-Q68 WeakPolarHBondContact O-CG 3.45Å; E64-Q68 PolarHBondContact O-N 3.07Å
65	S	51.8	Low	53.3	Low	72 Å²	72	92.6 Å²	92.6	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-76.5	-31.6	175.4	-176.1	0	0	0	0	113.6	A61 S62 R63 L67 Q68	A61-S65 WeakPolarHBondContact O-CA 3.37Å; A61-S65 WeakPolarHBondContact O-CB 3.49Å; A61-S65 PolarHBondContact O-N 3.21Å; S62-S65 PolarHBondContact O-N 3.24Å; R63-S65 PolarHBondContact O-N 2.84Å; S65-L67 VanDerWaalsContact C-N 3.33Å; S65-Q68 VanDerWaalsContact O-O 3.06Å
66	K	52.1	Low	52.4	Low	93 Å²	93	93.3 Å²	93.3	40%	0.404	53%	0.529	S	S	.	.	H	α-helix	trans	-75.6	-20.1	167.3	-71.9	-171.5	-178.6	-174.1	0	113.4	S62 R63 Q68 L70 E125	S62-K66 WeakPolarHBondContact O-CB 3.43Å; S62-K66 VanDerWaalsContact O-CG 3.3Å; S62-K66 WeakPolarHBondContact O-CG 3.35Å; S62-K66 PolarHBondContact O-N 2.8Å; R63-K66 CarbonylContact O-C 3.55Å; R63-K66 WeakPolarHBondContact O-CA 3.41Å; R63-K66 PolarHBondContact O-N 3.21Å; K66-Q68 CarbonylContact C-O 3.49Å; K66-Q68 VanDerWaalsContact C-O 3.3Å; K66-L70 HydrophobicContact CB-CD2 3.94Å; K66-L70 HydrophobicContact CG-CD2 3.84Å; K66-E125 IonicContact NZ-OE2 2.7Å; K66-E125 PolarHBondContact NZ-OE2 3.36Å
67	L	48.1	Very low	52.2	Low	75 Å²	75	92.9 Å²	92.9	39%	0.393	54%	0.541	S	S	.	.	H	α-helix	trans	-97	-17.2	178.4	-66.9	169	0	0	0	111.6	R63 E64 S65 L118	R63-L67 HydrophobicContact CB-CD1 4.37Å; R63-L67 WeakPolarHBondContact O-CB 3.39Å; R63-L67 WeakPolarHBondContact O-CD1 3.45Å; R63-L67 WeakPolarHBondContact O-CG 3.43Å; R63-L67 PolarHBondContact O-N 3.3Å; E64-L67 CarbonylContact O-C 3.54Å; E64-L67 PolarHBondContact O-N 2.83Å; S65-L67 VanDerWaalsContact C-N 3.33Å; L67-L118 HydrophobicContact CD1-CD2 3.94Å
68	Q	39.4	Very low	52.4	Low	131 Å²	131	92.9 Å²	92.9	61%	0.612	56%	0.556	S	S	*	*	S	Bend	trans	-76.7	162.5	149.5	-72.8	-171.4	2.9	0	0	109.5	E64 S65 K66 L70	E64-Q68 WeakPolarHBondContact O-CB 3.49Å; E64-Q68 WeakPolarHBondContact O-CG 3.45Å; E64-Q68 PolarHBondContact O-N 3.07Å; S65-Q68 VanDerWaalsContact O-O 3.06Å; K66-Q68 CarbonylContact C-O 3.49Å; K66-Q68 VanDerWaalsContact C-O 3.3Å; Q68-L70 PolarHBondContact O-N 2.87Å
69	P	36.1	Very low	53.1	Low	122 Å²	122	91.1 Å²	91.1	79%	0.792	54%	0.539	S	S	*	.			trans	-60.8	112.1	-169.4	-25.2	35.7	0	0	0	112.9	P71	P69-P71 WeakPolarHBondContact O-CD 3.34Å
70	L	36.2	Very low	54.1	Low	105 Å²	105	92 Å²	92	55%	0.55	55%	0.551	S	S	.	*			trans	-54.9	121.9	178.7	-77	160.6	0	0	0	111.7	K66 Q68 S72	K66-L70 HydrophobicContact CB-CD2 3.94Å; K66-L70 HydrophobicContact CG-CD2 3.84Å; Q68-L70 PolarHBondContact O-N 2.87Å; L70-S72 PolarHBondContact O-N 3.18Å
71	P	43.5	Very low	55.1	Low	129 Å²	129	91.9 Å²	91.9	84%	0.838	56%	0.555	S	S	*	*	S	Bend	trans	-82	64.6	171.8	34.3	-34.1	0	0	0	111	P69	P69-P71 WeakPolarHBondContact O-CD 3.34Å
72	S	32.8	Very low	56.2	Low	106 Å²	106	96.7 Å²	96.7	74%	0.741	57%	0.568	S	S	*	*	S	Bend	trans	-170.5	91	150	-167.8	0	0	0	0	111.7	L70 E74	L70-S72 PolarHBondContact O-N 3.18Å; S72-E74 PolarHBondContact O-N 2.88Å
73	C	33.4	Very low	57.5	Low	122 Å²	122	96.6 Å²	96.6	82%	0.824	56%	0.561	S	S	*	*	S	Bend	trans	56.2	52.1	154.9	-142.2	0	0	0	0	119.5
74	E	40.1	Very low	58.9	Low	150 Å²	150	95.9 Å²	95.9	70%	0.701	56%	0.558	S	S	*	*				-133.9	118.1	124.4	-77.3	-156.6	130.4	0	0	108.1	S72 P98	S72-E74 PolarHBondContact O-N 2.88Å; E74-P98 WeakPolarHBondContact OE2-CG 3.39Å
75	V	40.1	Very low	60.6	Low	127 Å²	127	95.7 Å²	95.7	77%	0.77	56%	0.558	S	S	*	*			trans	-62.5	148.6	174.3	177.2	0	0	0	0	108	A77	V75-A77 PolarHBondContact O-N 3.03Å
76	C	47.9	Very low	62.8	Low	116 Å²	116	93.6 Å²	93.6	78%	0.784	54%	0.543	S	S	*	.			trans	-68.7	67.5	163.4	-167.8	0	0	0	0	109	T78	C76-T78 PolarHBondContact O-N 2.58Å
77	A	61.8	Low	64.9	Low	64 Å²	64	89.1 Å²	89.1	53%	0.529	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-63.3	133.1	-178.8	0	0	0	0	0	108.1	V75 P79	V75-A77 PolarHBondContact O-N 3.03Å; A77-P79 WeakPolarHBondContact O-CD 3.31Å; A77-P79 VanDerWaalsContact O-N 3.12Å
78	T	75.3	Confident	67.2	Low	129 Å²	129	87.8 Å²	87.8	79%	0.791	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-56	117.4	165.1	45.5	0	0	0	0	107.2	C76 S80	C76-T78 PolarHBondContact O-N 2.58Å; T78-S80 PolarHBondContact O-N 3.23Å
79	P	85.5	Confident	69.9	Low	26 Å²	26	87.7 Å²	87.7	17%	0.169	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-59.2	139.9	-175	26.7	-36.6	0	0	0	109.1	A77 E83 V84 W87 A99	A77-P79 WeakPolarHBondContact O-CD 3.31Å; A77-P79 VanDerWaalsContact O-N 3.12Å; P79-E83 WeakPolarHBondContact CA-OE2 3.28Å; P79-E83 WeakPolarHBondContact CB-OE2 3.39Å; P79-V84 HydrophobicContact CB-CG2 3.73Å; P79-V84 HydrophobicContact CG-CG2 3.6Å; P79-W87 HydrophobicContact CB-CH2 3.79Å; P79-W87 HydrophobicContact CB-CZ2 3.69Å; P79-W87 HydrophobicContact CG-CH2 3.73Å; P79-W87 HydrophobicContact CG-CZ2 4.19Å; P79-A99 HydrophobicContact CB-CB 3.95Å; P79-A99 HydrophobicContact CG-CB 4.45Å
80	S	88.3	Confident	72.8	Confident	52 Å²	52	83.6 Å²	83.6	36%	0.364	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-65.1	151.8	-179	81.8	0	0	0	0	110	T78 E82 E83 V84	T78-S80 PolarHBondContact O-N 3.23Å; S80-E82 PolarHBondContact O-N 2.98Å; S80-E82 VanDerWaalsContact O-N 3.15Å; S80-E83 PolarHBondContact N-OE2 2.9Å; S80-E83 WeakPolarHBondContact O-CA 3.38Å; S80-E83 WeakPolarHBondContact O-CB 3.4Å; S80-E83 PolarHBondContact O-N 3.16Å; S80-E83 WeakPolarHBondContact OG-CB 3.34Å; S80-E83 PolarHBondContact OG-N 2.99Å; S80-V84 WeakPolarHBondContact O-CG2 3.04Å; S80-V84 PolarHBondContact O-N 3.31Å
81	P	88.4	Confident	75.8	Confident	62 Å²	62	78.6 Å²	78.6	40%	0.403	47%	0.47	S	S	.	.	H	α-helix	trans	-56.1	-33.5	176.9	-27.3	35.9	0	0	0	112.9	Q85	P81-Q85 WeakPolarHBondContact O-CB 3.38Å; P81-Q85 WeakPolarHBondContact O-CG 3.45Å; P81-Q85 PolarHBondContact O-N 3.25Å
82	E	91	Very high	78.4	Confident	158 Å²	158	76.2 Å²	76.2	74%	0.738	45%	0.451	S	S	*	.	H	α-helix	trans	-67.4	-42.1	174	-61.3	-178.2	171.1	0	0	112.1	S80 Q85 S86	S80-E82 PolarHBondContact O-N 2.98Å; S80-E82 VanDerWaalsContact O-N 3.15Å; E82-Q85 PolarHBondContact O-N 3.46Å; E82-S86 WeakPolarHBondContact O-CB 3.37Å; E82-S86 PolarHBondContact O-N 2.83Å
83	E	93.1	Very high	81.4	Confident	58 Å²	58	75.5 Å²	75.5	27%	0.271	43%	0.434	S	S	.	.	H	α-helix	trans	-62.7	-48.7	175.6	-176.7	-177.5	-170.9	0	0	111	P79 S80 Q85 S86 W87 S97	P79-E83 WeakPolarHBondContact CA-OE2 3.28Å; P79-E83 WeakPolarHBondContact CB-OE2 3.39Å; S80-E83 PolarHBondContact N-OE2 2.9Å; S80-E83 WeakPolarHBondContact O-CA 3.38Å; S80-E83 WeakPolarHBondContact O-CB 3.4Å; S80-E83 PolarHBondContact O-N 3.16Å; S80-E83 WeakPolarHBondContact OG-CB 3.34Å; S80-E83 PolarHBondContact OG-N 2.99Å; E83-Q85 VanDerWaalsContact C-N 3.34Å; E83-Q85 PolarHBondContact O-N 2.94Å; E83-S86 WeakPolarHBondContact O-CA 3.3Å; E83-S86 VanDerWaalsContact O-CB 3.29Å; E83-S86 WeakPolarHBondContact O-CB 3.34Å; E83-S86 PolarHBondContact O-N 3.39Å; E83-S86 PolarHBondContact O-OG 3.44Å; E83-W87 HydrophobicContact CG-CZ2 4.22Å; E83-W87 PolarHBondContact O-N 3.41Å; E83-W87 PolarHBondContact O-NE1 3.02Å; E83-S97 WeakPolarHBondContact OE1-CB 3.22Å; E83-S97 PolarHBondContact OE1-OG 3.06Å
84	V	94.3	Very high	84.5	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.012	40%	0.395	C	S	.	.	H	α-helix	trans	-58.2	-46.3	176.7	-179.6	0	0	0	0	110.6	P79 S80 S86 W87 Y202 L205 L206	P79-V84 HydrophobicContact CB-CG2 3.73Å; P79-V84 HydrophobicContact CG-CG2 3.6Å; S80-V84 WeakPolarHBondContact O-CG2 3.04Å; S80-V84 PolarHBondContact O-N 3.31Å; V84-S86 VanDerWaalsContact C-N 3.26Å; V84-S86 PolarHBondContact O-N 2.92Å; V84-W87 HydrophobicContact CG1-CE3 4.22Å; V84-W87 HydrophobicContact CG1-CZ3 4.31Å; V84-W87 HydrophobicContact CG2-CH2 4.13Å; V84-W87 HydrophobicContact CG2-CZ2 4.47Å; V84-W87 HydrophobicContact CG2-CZ3 4.19Å; V84-W87 WeakPolarHBondContact O-CB 3.27Å; V84-W87 PolarHBondContact O-N 3.22Å; V84-Y202 HydrophobicContact CG1-CD2 4.2Å; V84-Y202 HydrophobicContact CG1-CE2 3.61Å; V84-Y202 PolarHBondContact O-OH 3.2Å; V84-L205 HydrophobicContact CG1-CB 3.91Å; V84-L205 HydrophobicContact CG2-CB 4.35Å; V84-L206 HydrophobicContact CB-CD2 4.49Å; V84-L206 HydrophobicContact CG1-CD2 3.74Å; V84-L206 HydrophobicContact CG1-CG 4.15Å
85	Q	94.4	Very high	87.2	Confident	111 Å²	111	62.7 Å²	62.7	52%	0.519	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-33.5	175.5	-73.6	171.8	30.7	0	0	112.8	P81 E82 E83 W87 A88 L206	P81-Q85 WeakPolarHBondContact O-CB 3.38Å; P81-Q85 WeakPolarHBondContact O-CG 3.45Å; P81-Q85 PolarHBondContact O-N 3.25Å; E82-Q85 PolarHBondContact O-N 3.46Å; E83-Q85 VanDerWaalsContact C-N 3.34Å; E83-Q85 PolarHBondContact O-N 2.94Å; Q85-W87 PolarHBondContact O-N 3.32Å; Q85-A88 PolarHBondContact O-N 3.33Å; Q85-L206 HydrophobicContact CG-CD2 3.87Å
86	S	96.3	Very high	89.8	Confident	27 Å²	27	63.7 Å²	63.7	19%	0.189	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-30.3	177.9	88.3	0	0	0	0	112.5	E82 E83 V84 A88 Q89 K93	E82-S86 WeakPolarHBondContact O-CB 3.37Å; E82-S86 PolarHBondContact O-N 2.83Å; E83-S86 WeakPolarHBondContact O-CA 3.3Å; E83-S86 VanDerWaalsContact O-CB 3.29Å; E83-S86 WeakPolarHBondContact O-CB 3.34Å; E83-S86 PolarHBondContact O-N 3.39Å; E83-S86 PolarHBondContact O-OG 3.44Å; V84-S86 VanDerWaalsContact C-N 3.26Å; V84-S86 PolarHBondContact O-N 2.92Å; S86-A88 VanDerWaalsContact C-N 3.26Å; S86-A88 PolarHBondContact O-N 2.95Å; S86-Q89 WeakPolarHBondContact O-CB 2.99Å; S86-Q89 PolarHBondContact O-N 3.36Å; S86-K93 WeakPolarHBondContact O-CD 3.49Å
87	W	96.9	Very high	92	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-26.3	-179.4	-59.6	-14.3	0	0	0	113.6	P79 E83 V84 Q85 Q89 L94 A99 V103 Y193 F196 Y202 L205	P79-W87 HydrophobicContact CB-CH2 3.79Å; P79-W87 HydrophobicContact CB-CZ2 3.69Å; P79-W87 HydrophobicContact CG-CH2 3.73Å; P79-W87 HydrophobicContact CG-CZ2 4.19Å; E83-W87 HydrophobicContact CG-CZ2 4.22Å; E83-W87 PolarHBondContact O-N 3.41Å; E83-W87 PolarHBondContact O-NE1 3.02Å; V84-W87 HydrophobicContact CG1-CE3 4.22Å; V84-W87 HydrophobicContact CG1-CZ3 4.31Å; V84-W87 HydrophobicContact CG2-CH2 4.13Å; V84-W87 HydrophobicContact CG2-CZ2 4.47Å; V84-W87 HydrophobicContact CG2-CZ3 4.19Å; V84-W87 WeakPolarHBondContact O-CB 3.27Å; V84-W87 PolarHBondContact O-N 3.22Å; Q85-W87 PolarHBondContact O-N 3.32Å; W87-Q89 VanDerWaalsContact C-N 3.31Å; W87-L94 HydrophobicContact CB-CB 4.05Å; W87-L94 HydrophobicContact CB-CD1 3.82Å; W87-L94 HydrophobicContact CD2-CD1 3.58Å; W87-L94 HydrophobicContact CE3-CD1 3.74Å; W87-L94 HydrophobicContact CG-CB 4.26Å; W87-L94 HydrophobicContact CG-CD1 3.61Å; W87-A99 HydrophobicContact CH2-CB 4.43Å; W87-A99 HydrophobicContact CZ2-CB 4.08Å; W87-V103 HydrophobicContact CH2-CB 4.39Å; W87-V103 HydrophobicContact CH2-CG2 4.13Å; W87-V103 HydrophobicContact CZ3-CB 4.22Å; W87-V103 HydrophobicContact CZ3-CG1 4.24Å; W87-V103 HydrophobicContact CZ3-CG2 4.31Å; W87-Y193 WeakPolarHBondContact O-CE2 3.43Å; W87-Y193 PolarHBondContact O-OH 3.18Å; W87-F196 HydrophobicContact CE3-CZ 4.4Å; W87-Y202 HydrophobicContact CB-CE2 4.43Å; W87-Y202 HydrophobicContact CE3-CD2 4.25Å; W87-Y202 HydrophobicContact CE3-CE2 4.04Å; W87-L205 HydrophobicContact CZ3-CD1 3.97Å
88	A	96.5	Very high	93.5	Very high	47 Å²	47	58.3 Å²	58.3	39%	0.388	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.6	174.3	0	0	0	0	0	113.6	Q85 S86 Y193 L197 Y202	Q85-A88 PolarHBondContact O-N 3.33Å; S86-A88 VanDerWaalsContact C-N 3.26Å; S86-A88 PolarHBondContact O-N 2.95Å; A88-Y193 PolarHBondContact O-OH 3.12Å; A88-L197 HydrophobicContact CB-CD1 4.12Å; A88-L197 HydrophobicContact CB-CD2 3.97Å; A88-Y202 WeakPolarHBondContact CB-OH 3.26Å
89	Q	96.5	Very high	94.4	Very high	129 Å²	129	53.3 Å²	53.3	60%	0.603	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-34	-175.2	-57.1	174.9	11.2	0	0	112.2	S86 W87 K93	S86-Q89 WeakPolarHBondContact O-CB 2.99Å; S86-Q89 PolarHBondContact O-N 3.36Å; W87-Q89 VanDerWaalsContact C-N 3.31Å; Q89-K93 HydrophobicContact CB-CD 4.17Å
90	S	97.3	Very high	94.9	Very high	35 Å²	35	52 Å²	52	25%	0.245	28%	0.28	C	S	.	.			trans	-158.5	151.7	166.4	74.4	0	0	0	0	111.5	D92 K93 L94 Y193	S90-D92 PolarHBondContact O-N 3.42Å; S90-K93 PolarHBondContact O-N 3.34Å; S90-K93 VanDerWaalsContact O-N 3.09Å; S90-K93 PolarHBondContact OG-N 2.93Å; S90-L94 PolarHBondContact O-N 2.66Å; S90-Y193 VanDerWaalsContact C-OH 3.31Å
91	F	98.1	Very high	95.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-31.7	174.3	-174.9	-126.5	0	0	0	111.9	K93 L94 M95 F104 Y185 M188 H189 Y193	F91-K93 VanDerWaalsContact C-N 3.31Å; F91-K93 PolarHBondContact O-N 2.7Å; F91-L94 HydrophobicContact CD2-CD2 4.02Å; F91-L94 HydrophobicContact CE2-CD2 4.11Å; F91-L94 WeakPolarHBondContact O-CB 3.16Å; F91-L94 PolarHBondContact O-N 3.06Å; F91-M95 HydrophobicContact CD1-CG 4.1Å; F91-M95 HydrophobicContact CD2-CG 3.94Å; F91-M95 HydrophobicContact CE1-CG 3.8Å; F91-M95 HydrophobicContact CE1-SD 4.38Å; F91-M95 HydrophobicContact CE2-CG 3.61Å; F91-M95 HydrophobicContact CE2-SD 3.9Å; F91-M95 HydrophobicContact CG-CG 4.18Å; F91-M95 HydrophobicContact CZ-CE 4.3Å; F91-M95 HydrophobicContact CZ-CG 3.54Å; F91-M95 HydrophobicContact CZ-SD 3.68Å; F91-M95 WeakPolarHBondContact O-CB 3.49Å; F91-M95 VanDerWaalsContact O-CG 3.28Å; F91-M95 WeakPolarHBondContact O-CG 3.48Å; F91-M95 PolarHBondContact O-N 2.84Å; F91-F104 HydrophobicContact CE2-CD1 4.2Å; F91-F104 AromaticContact CE2-CE1 3.59Å; F91-F104 HydrophobicContact CE2-CE1 3.59Å; F91-F104 AromaticContact CE2-CZ 3.82Å; F91-F104 HydrophobicContact CE2-CZ 3.82Å; F91-F104 AromaticContact CZ-CE1 3.86Å; F91-F104 HydrophobicContact CZ-CE1 3.86Å; F91-F104 HydrophobicContact CZ-CZ 4.28Å; F91-Y185 HydrophobicContact CD1-CD1 4.32Å; F91-Y185 HydrophobicContact CD1-CD2 4.21Å; F91-Y185 AromaticContact CD1-CE1 3.76Å; F91-Y185 HydrophobicContact CD1-CE1 3.76Å; F91-Y185 AromaticContact CD1-CE2 3.62Å; F91-Y185 HydrophobicContact CD1-CE2 3.62Å; F91-Y185 AromaticContact CD1-CZ 3.36Å; F91-Y185 HydrophobicContact CE1-CD1 4.25Å; F91-Y185 AromaticContact CE1-CD2 3.6Å; F91-Y185 HydrophobicContact CE1-CD2 3.6Å; F91-Y185 HydrophobicContact CE1-CE1 4.09Å; F91-Y185 AromaticContact CE1-CE2 3.4Å; F91-Y185 HydrophobicContact CE1-CE2 3.4Å; F91-Y185 HydrophobicContact CE1-CG 4.03Å; F91-Y185 AromaticContact CE1-CZ 3.66Å; F91-Y185 WeakPolarHBondContact CE1-O 3.43Å; F91-Y185 HydrophobicContact CZ-CE2 4.36Å; F91-M188 HydrophobicContact CE1-CB 4.27Å; F91-M188 HydrophobicContact CZ-CB 3.73Å; F91-M188 HydrophobicContact CZ-CE 4.41Å; F91-H189 VanDerWaalsContact CB-CD2 3.41Å; F91-H189 WeakPolarHBondContact CB-CD2 3.41Å; F91-H189 HydrophobicContact CD1-CB 3.47Å; F91-H189 VanDerWaalsContact CD1-CB 3.47Å; F91-H189 AromaticContact CD1-CG 3.82Å; F91-H189 HydrophobicContact CE1-CB 3.81Å; F91-H189 HydrophobicContact CG-CB 4.09Å; F91-H189 AromaticContact CG-CD2 3.88Å; F91-Y193 HydrophobicContact CB-CD1 4.06Å; F91-Y193 HydrophobicContact CB-CD2 4.36Å; F91-Y193 HydrophobicContact CB-CE1 3.99Å; F91-Y193 HydrophobicContact CB-CE2 4.28Å; F91-Y193 HydrophobicContact CB-CG 4.23Å; F91-Y193 HydrophobicContact CD2-CD1 4.25Å; F91-Y193 AromaticContact CD2-CD2 3.47Å; F91-Y193 HydrophobicContact CD2-CD2 3.47Å; F91-Y193 VanDerWaalsContact CD2-CD2 3.47Å; F91-Y193 HydrophobicContact CD2-CE2 4.03Å; F91-Y193 AromaticContact CD2-CG 3.57Å; F91-Y193 HydrophobicContact CD2-CG 3.57Å; F91-Y193 HydrophobicContact CE2-CD2 4.21Å; F91-Y193 HydrophobicContact CE2-CG 4.27Å; F91-Y193 HydrophobicContact CG-CD1 4.43Å; F91-Y193 HydrophobicContact CG-CD2 4.33Å; F91-Y193 HydrophobicContact CG-CG 4.18Å; F91-Y193 PolarHBondContact N-OH 2.95Å
92	D	97.5	Very high	95.6	Very high	79 Å²	79	53.1 Å²	53.1	42%	0.422	28%	0.279	S	S	.	.	H	α-helix	trans	-59.3	-40.7	174.1	-46.2	-75.6	0	0	0	111.6	S90 M95 H96 Y185	S90-D92 PolarHBondContact O-N 3.42Å; D92-M95 PolarHBondContact O-N 3.47Å; D92-H96 PolarHBondContact O-N 3.21Å; D92-H96 PolarHBondContact O-ND1 2.98Å; D92-Y185 WeakPolarHBondContact CA-OH 3.49Å; D92-Y185 PolarHBondContact N-OH 2.84Å; D92-Y185 PolarHBondContact OD1-OH 3.37Å
93	K	97.2	Very high	95.8	Very high	92 Å²	92	46.9 Å²	46.9	40%	0.4	25%	0.252	S	S	.	.	H	α-helix	trans	-65	-41	177.7	-74.6	179.2	174.7	-163.8	0	112.3	S86 Q89 S90 F91 M95 S97	S86-K93 WeakPolarHBondContact O-CD 3.49Å; Q89-K93 HydrophobicContact CB-CD 4.17Å; S90-K93 PolarHBondContact O-N 3.34Å; S90-K93 VanDerWaalsContact O-N 3.09Å; S90-K93 PolarHBondContact OG-N 2.93Å; F91-K93 VanDerWaalsContact C-N 3.31Å; F91-K93 PolarHBondContact O-N 2.7Å; K93-M95 VanDerWaalsContact C-N 3.32Å; K93-S97 PolarHBondContact O-N 3.37Å
94	L	97.2	Very high	96	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-42.4	172.7	179.1	67.2	0	0	0	111.5	W87 S90 F91 R101 F104 Y193 F196	W87-L94 HydrophobicContact CB-CB 4.05Å; W87-L94 HydrophobicContact CB-CD1 3.82Å; W87-L94 HydrophobicContact CD2-CD1 3.58Å; W87-L94 HydrophobicContact CE3-CD1 3.74Å; W87-L94 HydrophobicContact CG-CB 4.26Å; W87-L94 HydrophobicContact CG-CD1 3.61Å; S90-L94 PolarHBondContact O-N 2.66Å; F91-L94 HydrophobicContact CD2-CD2 4.02Å; F91-L94 HydrophobicContact CE2-CD2 4.11Å; F91-L94 WeakPolarHBondContact O-CB 3.16Å; F91-L94 PolarHBondContact O-N 3.06Å; L94-R101 PolarHBondContact O-N 3.11Å; L94-F104 HydrophobicContact CD1-CB 4.37Å; L94-F104 HydrophobicContact CD2-CB 4.03Å; L94-F104 HydrophobicContact CD2-CD1 4.35Å; L94-F104 HydrophobicContact CD2-CD2 3.95Å; L94-F104 HydrophobicContact CD2-CG 3.86Å; L94-F104 HydrophobicContact CG-CB 4.36Å; L94-Y193 HydrophobicContact CB-CE2 4.48Å; L94-Y193 HydrophobicContact CD2-CD2 3.64Å; L94-Y193 HydrophobicContact CD2-CE2 3.9Å; L94-F196 HydrophobicContact CD1-CE1 3.82Å; L94-F196 HydrophobicContact CD1-CZ 4.35Å; L94-F196 HydrophobicContact CD2-CD1 3.86Å; L94-F196 HydrophobicContact CD2-CE1 3.81Å
95	M	97	Very high	96.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-80.5	-23.9	-173.8	-70.9	-68.8	-71	0	0	114.2	F91 D92 K93 R101 F104 M117 W120 Y185 M188	F91-M95 HydrophobicContact CD1-CG 4.1Å; F91-M95 HydrophobicContact CD2-CG 3.94Å; F91-M95 HydrophobicContact CE1-CG 3.8Å; F91-M95 HydrophobicContact CE1-SD 4.38Å; F91-M95 HydrophobicContact CE2-CG 3.61Å; F91-M95 HydrophobicContact CE2-SD 3.9Å; F91-M95 HydrophobicContact CG-CG 4.18Å; F91-M95 HydrophobicContact CZ-CE 4.3Å; F91-M95 HydrophobicContact CZ-CG 3.54Å; F91-M95 HydrophobicContact CZ-SD 3.68Å; F91-M95 WeakPolarHBondContact O-CB 3.49Å; F91-M95 VanDerWaalsContact O-CG 3.28Å; F91-M95 WeakPolarHBondContact O-CG 3.48Å; F91-M95 PolarHBondContact O-N 2.84Å; D92-M95 PolarHBondContact O-N 3.47Å; K93-M95 VanDerWaalsContact C-N 3.32Å; M95-R101 WeakPolarHBondContact O-CD 3.18Å; M95-R101 VanDerWaalsContact O-CG 3.3Å; M95-R101 WeakPolarHBondContact O-CG 3.44Å; M95-R101 PolarHBondContact O-NE 3.15Å; M95-R101 HydrophobicContact SD-CG 4.38Å; M95-F104 HydrophobicContact SD-CD1 4.28Å; M95-M117 HydrophobicContact CE-CE 3.91Å; M95-M117 HydrophobicContact CE-SD 3.66Å; M95-M117 HydrophobicContact SD-CE 3.95Å; M95-M117 HydrophobicContact SD-SD 3.86Å; M95-W120 HydrophobicContact CE-CD2 3.4Å; M95-W120 VanDerWaalsContact CE-CD2 3.4Å; M95-W120 HydrophobicContact CE-CE3 3.5Å; M95-W120 HydrophobicContact CE-CG 3.98Å; M95-W120 HydrophobicContact CE-CH2 3.95Å; M95-W120 HydrophobicContact CE-CZ2 3.85Å; M95-W120 HydrophobicContact CE-CZ3 3.78Å; M95-Y185 HydrophobicContact CB-CE2 4.09Å; M95-Y185 HydrophobicContact CE-CD2 4.07Å; M95-Y185 HydrophobicContact CE-CE2 4.04Å; M95-Y185 HydrophobicContact CG-CE2 3.81Å; M95-M188 HydrophobicContact CE-CE 4.15Å
96	H	94.7	Very high	96.2	Very high	148 Å²	148	42.5 Å²	42.5	69%	0.685	24%	0.235	S	C	*	.	H	α-helix	trans	-78.9	-28.3	170.6	-73	78.7	0	0	0	112.2	D92	D92-H96 PolarHBondContact O-N 3.21Å; D92-H96 PolarHBondContact O-ND1 2.98Å
97	S	95.2	Very high	96.3	Very high	10 Å²	10	41.6 Å²	41.6	7%	0.07	23%	0.228	C	C	.	.			trans	-69.9	127.2	175.7	170.1	0	0	0	0	111.9	E83 K93 A99 G100 R101	E83-S97 WeakPolarHBondContact OE1-CB 3.22Å; E83-S97 PolarHBondContact OE1-OG 3.06Å; K93-S97 PolarHBondContact O-N 3.37Å; S97-A99 PolarHBondContact OG-N 3.25Å; S97-G100 PolarHBondContact O-N 3.01Å; S97-G100 PolarHBondContact OG-N 2.56Å; S97-R101 WeakPolarHBondContact O-CB 3.49Å; S97-R101 VanDerWaalsContact O-CG 3.25Å; S97-R101 WeakPolarHBondContact O-CG 3.05Å; S97-R101 PolarHBondContact O-N 2.79Å; S97-R101 PolarHBondContact O-NE 3.45Å
98	P	93.4	Very high	96.3	Very high	58 Å²	58	41.6 Å²	41.6	38%	0.377	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-42.6	169.2	-20.4	31.8	0	0	0	112.5	E74 S102	E74-P98 WeakPolarHBondContact OE2-CG 3.39Å; P98-S102 WeakPolarHBondContact O-CB 3.45Å; P98-S102 PolarHBondContact O-N 2.73Å
99	A	93.6	Very high	96.3	Very high	23 Å²	23	46.1 Å²	46.1	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-42.9	177.5	0	0	0	0	0	111.6	P79 W87 S97 S102 V103	P79-A99 HydrophobicContact CB-CB 3.95Å; P79-A99 HydrophobicContact CG-CB 4.45Å; W87-A99 HydrophobicContact CH2-CB 4.43Å; W87-A99 HydrophobicContact CZ2-CB 4.08Å; S97-A99 PolarHBondContact OG-N 3.25Å; A99-S102 WeakPolarHBondContact O-CB 3.49Å; A99-S102 PolarHBondContact O-N 2.97Å; A99-V103 WeakPolarHBondContact O-CG2 3.44Å; A99-V103 PolarHBondContact O-N 2.8Å
100	G	95.4	Very high	96.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-58.9	-49.1	176.1	0	0	0	0	0	112.2	S97 S102 V103 F104	S97-G100 PolarHBondContact O-N 3.01Å; S97-G100 PolarHBondContact OG-N 2.56Å; G100-S102 VanDerWaalsContact C-N 3.34Å; G100-S102 PolarHBondContact O-N 2.95Å; G100-V103 PolarHBondContact O-N 2.72Å; G100-F104 WeakPolarHBondContact O-CB 3.25Å; G100-F104 PolarHBondContact O-N 2.76Å
101	R	97	Very high	96.2	Very high	66 Å²	66	45.8 Å²	45.8	25%	0.249	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-42.5	172.6	-73.9	-176.6	-77	173.7	-3.1	113.1	L94 M95 S97 R105 M117	L94-R101 PolarHBondContact O-N 3.11Å; M95-R101 WeakPolarHBondContact O-CD 3.18Å; M95-R101 VanDerWaalsContact O-CG 3.3Å; M95-R101 WeakPolarHBondContact O-CG 3.44Å; M95-R101 PolarHBondContact O-NE 3.15Å; M95-R101 HydrophobicContact SD-CG 4.38Å; S97-R101 WeakPolarHBondContact O-CB 3.49Å; S97-R101 VanDerWaalsContact O-CG 3.25Å; S97-R101 WeakPolarHBondContact O-CG 3.05Å; S97-R101 PolarHBondContact O-N 2.79Å; S97-R101 PolarHBondContact O-NE 3.45Å; R101-R105 VanDerWaalsContact O-CB 3.3Å; R101-R105 WeakPolarHBondContact O-CB 3.44Å; R101-R105 PolarHBondContact O-N 3.35Å; R101-M117 HydrophobicContact CB-CE 3.56Å; R101-M117 HydrophobicContact CG-CE 3.39Å
102	S	94.9	Very high	96.1	Very high	71 Å²	71	55.9 Å²	55.9	50%	0.497	28%	0.276	S	S	.	.	H	α-helix	trans	-63.8	-49.6	178.5	-174.3	0	0	0	0	111.9	P98 A99 G100 R105 A106	P98-S102 WeakPolarHBondContact O-CB 3.45Å; P98-S102 PolarHBondContact O-N 2.73Å; A99-S102 WeakPolarHBondContact O-CB 3.49Å; A99-S102 PolarHBondContact O-N 2.97Å; G100-S102 VanDerWaalsContact C-N 3.34Å; G100-S102 PolarHBondContact O-N 2.95Å; S102-R105 PolarHBondContact O-N 3.44Å; S102-A106 PolarHBondContact O-N 3.25Å
103	V	95.7	Very high	96.1	Very high	26 Å²	26	52.9 Å²	52.9	16%	0.158	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-44.8	177.8	171.9	0	0	0	0	111.4	W87 A99 G100 A106 F107 F196 T201 L205	W87-V103 HydrophobicContact CH2-CB 4.39Å; W87-V103 HydrophobicContact CH2-CG2 4.13Å; W87-V103 HydrophobicContact CZ3-CB 4.22Å; W87-V103 HydrophobicContact CZ3-CG1 4.24Å; W87-V103 HydrophobicContact CZ3-CG2 4.31Å; A99-V103 WeakPolarHBondContact O-CG2 3.44Å; A99-V103 PolarHBondContact O-N 2.8Å; G100-V103 PolarHBondContact O-N 2.72Å; V103-A106 WeakPolarHBondContact O-CB 3.43Å; V103-A106 PolarHBondContact O-N 3.45Å; V103-F107 PolarHBondContact O-N 3.39Å; V103-F196 HydrophobicContact CG1-CE2 3.69Å; V103-F196 HydrophobicContact CG1-CZ 3.73Å; V103-T201 HydrophobicContact CG1-CG2 4.36Å; V103-L205 HydrophobicContact CB-CD1 4.36Å; V103-L205 HydrophobicContact CG1-CD1 3.55Å; V103-L205 HydrophobicContact CG2-CD1 3.91Å
104	F	97.6	Very high	96.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-42.2	179.3	-175.7	-124	0	0	0	111.7	F91 L94 M95 G100 A106 F107 L108 M188 F196	F91-F104 HydrophobicContact CE2-CD1 4.2Å; F91-F104 AromaticContact CE2-CE1 3.59Å; F91-F104 HydrophobicContact CE2-CE1 3.59Å; F91-F104 AromaticContact CE2-CZ 3.82Å; F91-F104 HydrophobicContact CE2-CZ 3.82Å; F91-F104 AromaticContact CZ-CE1 3.86Å; F91-F104 HydrophobicContact CZ-CE1 3.86Å; F91-F104 HydrophobicContact CZ-CZ 4.28Å; L94-F104 HydrophobicContact CD1-CB 4.37Å; L94-F104 HydrophobicContact CD2-CB 4.03Å; L94-F104 HydrophobicContact CD2-CD1 4.35Å; L94-F104 HydrophobicContact CD2-CD2 3.95Å; L94-F104 HydrophobicContact CD2-CG 3.86Å; L94-F104 HydrophobicContact CG-CB 4.36Å; M95-F104 HydrophobicContact SD-CD1 4.28Å; G100-F104 WeakPolarHBondContact O-CB 3.25Å; G100-F104 PolarHBondContact O-N 2.76Å; F104-A106 VanDerWaalsContact C-N 3.33Å; F104-A106 PolarHBondContact O-N 2.75Å; F104-F107 HydrophobicContact CD2-CD1 4.2Å; F104-F107 HydrophobicContact CE2-CD1 4.19Å; F104-F107 HydrophobicContact CE2-CE1 4.49Å; F104-F107 WeakPolarHBondContact O-CB 3.38Å; F104-F107 PolarHBondContact O-N 2.73Å; F104-L108 HydrophobicContact CD1-CD1 3.94Å; F104-L108 HydrophobicContact CD1-CG 4.48Å; F104-L108 HydrophobicContact CE1-CD1 3.7Å; F104-L108 HydrophobicContact CE1-CD2 4.46Å; F104-L108 HydrophobicContact CE1-CG 4.24Å; F104-L108 HydrophobicContact CE2-CD2 4.31Å; F104-L108 HydrophobicContact CE2-CG 4.35Å; F104-L108 HydrophobicContact CZ-CD1 4.1Å; F104-L108 HydrophobicContact CZ-CD2 4.03Å; F104-L108 HydrophobicContact CZ-CG 4.18Å; F104-L108 WeakPolarHBondContact O-CG 3.48Å; F104-L108 PolarHBondContact O-N 3.39Å; F104-M188 HydrophobicContact CE1-CB 4.17Å; F104-M188 HydrophobicContact CE1-CG 4.46Å; F104-M188 HydrophobicContact CE1-SD 3.97Å; F104-M188 HydrophobicContact CZ-CB 4.18Å; F104-F196 HydrophobicContact CD2-CB 3.82Å; F104-F196 AromaticContact CD2-CD1 3.88Å; F104-F196 HydrophobicContact CD2-CD1 3.88Å; F104-F196 HydrophobicContact CD2-CD2 4.07Å; F104-F196 AromaticContact CD2-CG 3.63Å; F104-F196 HydrophobicContact CD2-CG 3.63Å; F104-F196 HydrophobicContact CE2-CB 3.77Å; F104-F196 HydrophobicContact CE2-CD1 4.44Å; F104-F196 HydrophobicContact CE2-CG 4.11Å
105	R	97.3	Very high	96.1	Very high	44 Å²	44	52.7 Å²	52.7	17%	0.166	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-43.2	171.6	-174.9	-173.9	162.3	-153.6	-5.3	111.7	R101 S102 F107 L108 R109 E114 M117	R101-R105 VanDerWaalsContact O-CB 3.3Å; R101-R105 WeakPolarHBondContact O-CB 3.44Å; R101-R105 PolarHBondContact O-N 3.35Å; S102-R105 PolarHBondContact O-N 3.44Å; R105-F107 PolarHBondContact O-N 3.25Å; R105-L108 PolarHBondContact O-N 2.69Å; R105-R109 PolarHBondContact O-N 3.07Å; R105-E114 HydrophobicContact CG-CB 4.3Å; R105-E114 IonicContact CZ-OE2 2.84Å; R105-E114 VanDerWaalsContact CZ-OE2 3.32Å; R105-E114 IonicContact NE-OE2 3.79Å; R105-E114 PolarHBondContact NE-OE2 3.1Å; R105-E114 IonicContact NH2-OE2 3.32Å; R105-E114 PolarHBondContact NH2-OE2 2.79Å; R105-M117 HydrophobicContact CB-CG 4.05Å; R105-M117 HydrophobicContact CG-CG 4.37Å
106	A	95.6	Very high	96.2	Very high	35 Å²	35	53.1 Å²	53.1	29%	0.289	26%	0.263	S	S	.	.	H	α-helix	trans	-60.5	-36.3	178.1	0	0	0	0	0	112	S102 V103 F104	S102-A106 PolarHBondContact O-N 3.25Å; V103-A106 WeakPolarHBondContact O-CB 3.43Å; V103-A106 PolarHBondContact O-N 3.45Å; F104-A106 VanDerWaalsContact C-N 3.33Å; F104-A106 PolarHBondContact O-N 2.75Å
107	F	97.3	Very high	96.4	Very high	8 Å²	8	46 Å²	46	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-67	-51	171.2	165.6	-95.2	0	0	0	112.5	V103 F104 R105 R109 T110 E111 S192 R195 F196	V103-F107 PolarHBondContact O-N 3.39Å; F104-F107 HydrophobicContact CD2-CD1 4.2Å; F104-F107 HydrophobicContact CE2-CD1 4.19Å; F104-F107 HydrophobicContact CE2-CE1 4.49Å; F104-F107 WeakPolarHBondContact O-CB 3.38Å; F104-F107 PolarHBondContact O-N 2.73Å; R105-F107 PolarHBondContact O-N 3.25Å; F107-R109 PolarHBondContact O-N 3.01Å; F107-R109 VanDerWaalsContact O-N 3.14Å; F107-T110 WeakPolarHBondContact O-CA 3.46Å; F107-T110 WeakPolarHBondContact O-CB 3.41Å; F107-T110 PolarHBondContact O-N 2.86Å; F107-T110 PolarHBondContact O-OG1 2.83Å; F107-E111 VanDerWaalsContact CE1-OE2 3.3Å; F107-E111 WeakPolarHBondContact CE1-OE2 3.44Å; F107-E111 HydrophobicContact CE2-CG 4.35Å; F107-E111 WeakPolarHBondContact CE2-OE1 3.48Å; F107-E111 HydrophobicContact CZ-CG 4.21Å; F107-E111 WeakPolarHBondContact CZ-OE1 3.41Å; F107-E111 VanDerWaalsContact CZ-OE2 3.24Å; F107-E111 WeakPolarHBondContact CZ-OE2 3.21Å; F107-E111 PolarHBondContact O-N 2.99Å; F107-S192 WeakPolarHBondContact CE1-O 3.33Å; F107-R195 HydrophobicContact CZ-CB 4.06Å; F107-F196 HydrophobicContact CB-CD2 3.76Å; F107-F196 HydrophobicContact CB-CE2 4.28Å; F107-F196 HydrophobicContact CD1-CB 3.68Å; F107-F196 AromaticContact CD1-CD2 3.95Å; F107-F196 HydrophobicContact CD1-CD2 3.95Å; F107-F196 HydrophobicContact CD1-CG 4.23Å; F107-F196 HydrophobicContact CD2-CD2 4.17Å; F107-F196 HydrophobicContact CE1-CB 3.62Å; F107-F196 HydrophobicContact CE2-CB 4.5Å; F107-F196 HydrophobicContact CG-CB 4.17Å; F107-F196 AromaticContact CG-CD2 3.68Å; F107-F196 HydrophobicContact CG-CD2 3.68Å; F107-F196 HydrophobicContact CG-CG 4.39Å; F107-F196 HydrophobicContact CZ-CB 4.04Å
108	L	97.6	Very high	96.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-55.7	-35	178.3	-69.5	171.9	0	0	0	112.6	F104 R105 T110 E111 Y112 S113 E114 M117 M188 S192	F104-L108 HydrophobicContact CD1-CD1 3.94Å; F104-L108 HydrophobicContact CD1-CG 4.48Å; F104-L108 HydrophobicContact CE1-CD1 3.7Å; F104-L108 HydrophobicContact CE1-CD2 4.46Å; F104-L108 HydrophobicContact CE1-CG 4.24Å; F104-L108 HydrophobicContact CE2-CD2 4.31Å; F104-L108 HydrophobicContact CE2-CG 4.35Å; F104-L108 HydrophobicContact CZ-CD1 4.1Å; F104-L108 HydrophobicContact CZ-CD2 4.03Å; F104-L108 HydrophobicContact CZ-CG 4.18Å; F104-L108 WeakPolarHBondContact O-CG 3.48Å; F104-L108 PolarHBondContact O-N 3.39Å; R105-L108 PolarHBondContact O-N 2.69Å; L108-T110 VanDerWaalsContact C-N 3.33Å; L108-T110 PolarHBondContact O-N 3.17Å; L108-E111 CarbonylContact O-C 3.54Å; L108-E111 VanDerWaalsContact O-C 3.29Å; L108-E111 WeakPolarHBondContact O-CA 3.49Å; L108-E111 PolarHBondContact O-N 2.99Å; L108-Y112 PolarHBondContact O-N 2.99Å; L108-Y112 VanDerWaalsContact O-N 3.09Å; L108-S113 WeakPolarHBondContact CD2-OG 3.29Å; L108-S113 PolarHBondContact O-N 2.85Å; L108-S113 PolarHBondContact O-OG 3.44Å; L108-E114 HydrophobicContact CB-CB 4.27Å; L108-M117 HydrophobicContact CD1-CB 3.58Å; L108-M117 HydrophobicContact CD1-CG 4.4Å; L108-M188 HydrophobicContact CD1-SD 3.92Å; L108-S192 VanDerWaalsContact CD2-CB 3.4Å
109	R	96.3	Very high	96.7	Very high	143 Å²	143	43.3 Å²	43.3	54%	0.54	21%	0.212	S	C	.	.	H	α-helix	trans	-65.1	-31.5	174.6	-176.4	176.7	55.6	-179.7	-6.8	113.3	R105 F107 E111 Y112 E114	R105-R109 PolarHBondContact O-N 3.07Å; F107-R109 PolarHBondContact O-N 3.01Å; F107-R109 VanDerWaalsContact O-N 3.14Å; R109-E111 PolarHBondContact O-N 2.7Å; R109-Y112 PolarHBondContact O-N 3.46Å; R109-E114 HydrophobicContact CB-CB 4.05Å; R109-E114 HydrophobicContact CB-CG 4.25Å; R109-E114 HydrophobicContact CG-CG 4.47Å
110	T	96.1	Very high	97	Very high	94 Å²	94	43.5 Å²	43.5	58%	0.577	21%	0.208	S	C	*	.	H	α-helix	trans	-71	-15.8	171.8	66.1	0	0	0	0	113.1	F107 L108	F107-T110 WeakPolarHBondContact O-CA 3.46Å; F107-T110 WeakPolarHBondContact O-CB 3.41Å; F107-T110 PolarHBondContact O-N 2.86Å; F107-T110 PolarHBondContact O-OG1 2.83Å; L108-T110 VanDerWaalsContact C-N 3.33Å; L108-T110 PolarHBondContact O-N 3.17Å
111	E	96.1	Very high	97.1	Very high	62 Å²	62	45 Å²	45	29%	0.29	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	16.4	-179.2	-54.1	-167.5	143	0	0	112.5	F107 L108 R109 S113 R195	F107-E111 VanDerWaalsContact CE1-OE2 3.3Å; F107-E111 WeakPolarHBondContact CE1-OE2 3.44Å; F107-E111 HydrophobicContact CE2-CG 4.35Å; F107-E111 WeakPolarHBondContact CE2-OE1 3.48Å; F107-E111 HydrophobicContact CZ-CG 4.21Å; F107-E111 WeakPolarHBondContact CZ-OE1 3.41Å; F107-E111 VanDerWaalsContact CZ-OE2 3.24Å; F107-E111 WeakPolarHBondContact CZ-OE2 3.21Å; F107-E111 PolarHBondContact O-N 2.99Å; L108-E111 CarbonylContact O-C 3.54Å; L108-E111 VanDerWaalsContact O-C 3.29Å; L108-E111 WeakPolarHBondContact O-CA 3.49Å; L108-E111 PolarHBondContact O-N 2.99Å; R109-E111 PolarHBondContact O-N 2.7Å; E111-S113 PolarHBondContact O-N 3.47Å; E111-R195 IonicContact OE1-CZ 3.98Å; E111-R195 IonicContact OE1-NH1 2.76Å; E111-R195 PolarHBondContact OE1-NH1 3.24Å; E111-R195 IonicContact OE2-CZ 3.38Å; E111-R195 IonicContact OE2-NH1 2.69Å; E111-R195 PolarHBondContact OE2-NH1 3.3Å; E111-R195 IonicContact OE2-NH2 3.26Å; E111-R195 PolarHBondContact OE2-NH2 2.7Å
112	Y	95.2	Very high	97.1	Very high	213 Å²	213	42 Å²	42	84%	0.835	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	38.5	178.1	-51.7	-86.8	0	0	0	114.1	L108 R109	L108-Y112 PolarHBondContact O-N 2.99Å; L108-Y112 VanDerWaalsContact O-N 3.09Å; R109-Y112 PolarHBondContact O-N 3.46Å
113	S	97.7	Very high	97.3	Very high	15 Å²	15	38.8 Å²	38.8	11%	0.105	18%	0.182	C	C	.	.			trans	-134.1	19.8	-176.2	53.3	0	0	0	0	113.9	L108 E111 E115 N116	L108-S113 WeakPolarHBondContact CD2-OG 3.29Å; L108-S113 PolarHBondContact O-N 2.85Å; L108-S113 PolarHBondContact O-OG 3.44Å; E111-S113 PolarHBondContact O-N 3.47Å; S113-E115 VanDerWaalsContact C-N 3.26Å; S113-E115 WeakPolarHBondContact CA-OE1 3.41Å; S113-E115 VanDerWaalsContact CA-OE2 3.26Å; S113-E115 WeakPolarHBondContact CA-OE2 3.47Å; S113-E115 PolarHBondContact O-N 3.34Å; S113-N116 PolarHBondContact O-N 3.4Å; S113-N116 PolarHBondContact O-ND2 2.99Å
114	E	97.3	Very high	97.4	Very high	48 Å²	48	40.9 Å²	40.9	22%	0.224	19%	0.19	C	C	.	.	H	α-helix	trans	-69.6	-19.4	-177.1	69.1	160.8	168.2	0	0	114.3	R105 L108 R109 N116 M117 L118	R105-E114 HydrophobicContact CG-CB 4.3Å; R105-E114 IonicContact CZ-OE2 2.84Å; R105-E114 VanDerWaalsContact CZ-OE2 3.32Å; R105-E114 IonicContact NE-OE2 3.79Å; R105-E114 PolarHBondContact NE-OE2 3.1Å; R105-E114 IonicContact NH2-OE2 3.32Å; R105-E114 PolarHBondContact NH2-OE2 2.79Å; L108-E114 HydrophobicContact CB-CB 4.27Å; R109-E114 HydrophobicContact CB-CB 4.05Å; R109-E114 HydrophobicContact CB-CG 4.25Å; R109-E114 HydrophobicContact CG-CG 4.47Å; E114-N116 PolarHBondContact O-N 2.94Å; E114-M117 PolarHBondContact O-N 3.39Å; E114-M117 VanDerWaalsContact O-N 3.16Å; E114-L118 HydrophobicContact CG-CD1 4.31Å; E114-L118 WeakPolarHBondContact O-CG 3.43Å; E114-L118 PolarHBondContact O-N 2.83Å
115	E	97.9	Very high	97.3	Very high	41 Å²	41	43.5 Å²	43.5	19%	0.192	20%	0.203	C	C	.	.	H	α-helix	trans	-59.1	-32.7	175.9	70.4	-60.9	144.4	0	0	112.3	S113 M117 L118 F119 Y146 K153 V155	S113-E115 VanDerWaalsContact C-N 3.26Å; S113-E115 WeakPolarHBondContact CA-OE1 3.41Å; S113-E115 VanDerWaalsContact CA-OE2 3.26Å; S113-E115 WeakPolarHBondContact CA-OE2 3.47Å; S113-E115 PolarHBondContact O-N 3.34Å; E115-M117 PolarHBondContact O-N 2.96Å; E115-L118 PolarHBondContact O-N 3Å; E115-F119 VanDerWaalsContact O-CB 3.28Å; E115-F119 WeakPolarHBondContact O-CB 3.41Å; E115-F119 PolarHBondContact O-N 2.86Å; E115-Y146 HydrophobicContact CB-CD1 4.48Å; E115-Y146 HydrophobicContact CB-CE1 4.3Å; E115-K153 HydrophobicContact CB-CB 4.1Å; E115-V155 HydrophobicContact CG-CG1 4.15Å
116	N	98.3	Very high	97.3	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.053	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-45.7	174.5	-62.7	-67	0	0	0	112.1	S113 E114 W120 I184 M188	S113-N116 PolarHBondContact O-N 3.4Å; S113-N116 PolarHBondContact O-ND2 2.99Å; E114-N116 PolarHBondContact O-N 2.94Å; N116-W120 WeakPolarHBondContact O-CB 3.28Å; N116-W120 PolarHBondContact O-N 3.41Å; N116-I184 HydrophobicContact CB-CG2 3.57Å; N116-I184 WeakPolarHBondContact O-CG2 3.49Å; N116-M188 HydrophobicContact CB-CG 3.84Å; N116-M188 HydrophobicContact CB-SD 3.72Å
117	M	98.1	Very high	97.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-74	-37.1	179	-174.3	56.8	-170.1	0	0	111.9	M95 R101 R105 L108 E114 E115 W120 L121 M188	M95-M117 HydrophobicContact CE-CE 3.91Å; M95-M117 HydrophobicContact CE-SD 3.66Å; M95-M117 HydrophobicContact SD-CE 3.95Å; M95-M117 HydrophobicContact SD-SD 3.86Å; R101-M117 HydrophobicContact CB-CE 3.56Å; R101-M117 HydrophobicContact CG-CE 3.39Å; R105-M117 HydrophobicContact CB-CG 4.05Å; R105-M117 HydrophobicContact CG-CG 4.37Å; L108-M117 HydrophobicContact CD1-CB 3.58Å; L108-M117 HydrophobicContact CD1-CG 4.4Å; E114-M117 PolarHBondContact O-N 3.39Å; E114-M117 VanDerWaalsContact O-N 3.16Å; E115-M117 PolarHBondContact O-N 2.96Å; M117-W120 HydrophobicContact CE-CE3 4.02Å; M117-W120 HydrophobicContact CE-CZ3 4.3Å; M117-W120 PolarHBondContact O-N 3.19Å; M117-W120 HydrophobicContact SD-CE3 4.32Å; M117-L121 HydrophobicContact CE-CD1 4.08Å; M117-L121 HydrophobicContact CE-CD2 4.05Å; M117-L121 HydrophobicContact CE-CG 3.89Å; M117-L121 HydrophobicContact CG-CD1 4.37Å; M117-L121 WeakPolarHBondContact O-CB 3.39Å; M117-L121 WeakPolarHBondContact O-CG 3.48Å; M117-L121 PolarHBondContact O-N 3.05Å; M117-M188 HydrophobicContact CB-SD 4.07Å; M117-M188 HydrophobicContact SD-CE 4.29Å; M117-M188 HydrophobicContact SD-SD 4.38Å
118	L	97.8	Very high	97.3	Very high	11 Å²	11	47.1 Å²	47.1	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-36.8	175.4	-72.2	174	0	0	0	112.7	R63 L67 E114 E115 A122 Y146	R63-L118 PolarHBondContact NH2-O 3.44Å; L67-L118 HydrophobicContact CD1-CD2 3.94Å; E114-L118 HydrophobicContact CG-CD1 4.31Å; E114-L118 WeakPolarHBondContact O-CG 3.43Å; E114-L118 PolarHBondContact O-N 2.83Å; E115-L118 PolarHBondContact O-N 3Å; L118-A122 WeakPolarHBondContact O-CB 3.36Å; L118-A122 PolarHBondContact O-N 3.5Å; L118-A122 VanDerWaalsContact O-N 3.1Å; L118-Y146 HydrophobicContact CB-CE1 4.01Å; L118-Y146 WeakPolarHBondContact CB-OH 3.41Å
119	F	98.6	Very high	97.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-48.1	172.3	171.6	-111.6	0	0	0	111	E115 L121 A122 C123 I142 Y146 V147 V155 F177 A180 I184	E115-F119 VanDerWaalsContact O-CB 3.28Å; E115-F119 WeakPolarHBondContact O-CB 3.41Å; E115-F119 PolarHBondContact O-N 2.86Å; F119-L121 VanDerWaalsContact C-N 3.34Å; F119-L121 PolarHBondContact O-N 3.15Å; F119-A122 PolarHBondContact O-N 2.9Å; F119-A122 VanDerWaalsContact O-N 3.12Å; F119-C123 PolarHBondContact O-N 3.46Å; F119-C123 PolarHBondContact O-SG 3.38Å; F119-I142 HydrophobicContact CD2-CG2 4.05Å; F119-I142 HydrophobicContact CE2-CG2 3.77Å; F119-Y146 HydrophobicContact CB-CD1 3.76Å; F119-Y146 HydrophobicContact CB-CD2 4.33Å; F119-Y146 HydrophobicContact CB-CE1 4.26Å; F119-Y146 HydrophobicContact CB-CG 3.82Å; F119-Y146 VanDerWaalsContact CD2-CB 3.45Å; F119-Y146 HydrophobicContact CD2-CD2 4.03Å; F119-Y146 AromaticContact CD2-CG 3.76Å; F119-Y146 HydrophobicContact CD2-CG 3.76Å; F119-Y146 HydrophobicContact CG-CG 4.22Å; F119-V147 HydrophobicContact CE2-CG2 4.26Å; F119-V155 HydrophobicContact CB-CG1 3.78Å; F119-V155 HydrophobicContact CD1-CG1 4.34Å; F119-V155 HydrophobicContact CD1-CG2 4.1Å; F119-V155 HydrophobicContact CD2-CG2 4.42Å; F119-V155 HydrophobicContact CE1-CG2 4.33Å; F119-V155 HydrophobicContact CG-CG1 4.11Å; F119-V155 HydrophobicContact CG-CG2 4.14Å; F119-F177 HydrophobicContact CE2-CD1 4.29Å; F119-F177 HydrophobicContact CZ-CB 4.23Å; F119-F177 HydrophobicContact CZ-CD1 4.47Å; F119-A180 HydrophobicContact CE1-CB 4.07Å; F119-A180 HydrophobicContact CZ-CB 3.77Å; F119-I184 HydrophobicContact CD1-CB 4.01Å; F119-I184 HydrophobicContact CD1-CG1 3.73Å; F119-I184 HydrophobicContact CD1-CG2 4.16Å; F119-I184 HydrophobicContact CE1-CB 4.25Å; F119-I184 HydrophobicContact CE1-CG1 3.8Å
120	W	98.5	Very high	97.1	Very high	27 Å²	27	47.7 Å²	47.7	10%	0.102	26%	0.257	C	S	.	.	H	α-helix	trans	-57.7	-45.4	178.4	-175.1	93	0	0	0	111.9	M95 N116 M117 A122 C123 E124 Q181 Y185 M188	M95-W120 HydrophobicContact CE-CD2 3.4Å; M95-W120 VanDerWaalsContact CE-CD2 3.4Å; M95-W120 HydrophobicContact CE-CE3 3.5Å; M95-W120 HydrophobicContact CE-CG 3.98Å; M95-W120 HydrophobicContact CE-CH2 3.95Å; M95-W120 HydrophobicContact CE-CZ2 3.85Å; M95-W120 HydrophobicContact CE-CZ3 3.78Å; N116-W120 WeakPolarHBondContact O-CB 3.28Å; N116-W120 PolarHBondContact O-N 3.41Å; M117-W120 HydrophobicContact CE-CE3 4.02Å; M117-W120 HydrophobicContact CE-CZ3 4.3Å; M117-W120 PolarHBondContact O-N 3.19Å; M117-W120 HydrophobicContact SD-CE3 4.32Å; W120-A122 PolarHBondContact O-N 2.94Å; W120-C123 PolarHBondContact O-N 3.06Å; W120-E124 HydrophobicContact CD2-CG 4.3Å; W120-E124 HydrophobicContact CE3-CG 4.01Å; W120-E124 HydrophobicContact CH2-CG 3.64Å; W120-E124 HydrophobicContact CZ2-CG 3.95Å; W120-E124 HydrophobicContact CZ3-CG 3.68Å; W120-E124 PolarHBondContact O-N 2.91Å; W120-E124 VanDerWaalsContact O-N 3.16Å; W120-Q181 VanDerWaalsContact CD1-CG 3.41Å; W120-Q181 HydrophobicContact CG-CG 4.13Å; W120-Q181 PolarHBondContact O-NE2 2.98Å; W120-Q181 VanDerWaalsContact O-NE2 3.07Å; W120-Y185 AromaticContact CD1-CD2 3.96Å; W120-Y185 AromaticContact NE1-CD2 3.47Å; W120-M188 HydrophobicContact CB-CE 4.1Å; W120-M188 HydrophobicContact CG-CE 4.33Å
121	L	97.6	Very high	97.1	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-39.5	175.3	-74.6	169.7	0	0	0	112.9	M117 F119 C123 E124 E125	M117-L121 HydrophobicContact CE-CD1 4.08Å; M117-L121 HydrophobicContact CE-CD2 4.05Å; M117-L121 HydrophobicContact CE-CG 3.89Å; M117-L121 HydrophobicContact CG-CD1 4.37Å; M117-L121 WeakPolarHBondContact O-CB 3.39Å; M117-L121 WeakPolarHBondContact O-CG 3.48Å; M117-L121 PolarHBondContact O-N 3.05Å; F119-L121 VanDerWaalsContact C-N 3.34Å; F119-L121 PolarHBondContact O-N 3.15Å; L121-C123 VanDerWaalsContact C-N 3.28Å; L121-C123 PolarHBondContact O-N 3.33Å; L121-E124 PolarHBondContact O-N 3.5Å; L121-E125 PolarHBondContact O-N 2.88Å
122	A	97.9	Very high	97.1	Very high	3 Å²	3	49.1 Å²	49.1	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-66.5	-32.8	178.6	0	0	0	0	0	112.1	L118 F119 W120 E125 L126 I142 Y146	L118-A122 WeakPolarHBondContact O-CB 3.36Å; L118-A122 PolarHBondContact O-N 3.5Å; L118-A122 VanDerWaalsContact O-N 3.1Å; F119-A122 PolarHBondContact O-N 2.9Å; F119-A122 VanDerWaalsContact O-N 3.12Å; W120-A122 PolarHBondContact O-N 2.94Å; A122-E125 PolarHBondContact O-N 2.8Å; A122-L126 PolarHBondContact O-N 3.03Å; A122-I142 HydrophobicContact CB-CD1 4.04Å; A122-I142 HydrophobicContact CB-CG1 3.77Å; A122-I142 WeakPolarHBondContact O-CD1 3.35Å; A122-Y146 HydrophobicContact CB-CE2 4.45Å
123	C	98.3	Very high	97.1	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-37.9	173.1	-62.5	0	0	0	0	112.2	F119 W120 L121 L126 K127 Q181	F119-C123 PolarHBondContact O-N 3.46Å; F119-C123 PolarHBondContact O-SG 3.38Å; W120-C123 PolarHBondContact O-N 3.06Å; L121-C123 VanDerWaalsContact C-N 3.28Å; L121-C123 PolarHBondContact O-N 3.33Å; C123-L126 PolarHBondContact O-N 2.91Å; C123-K127 WeakPolarHBondContact O-CG 3.29Å; C123-K127 PolarHBondContact O-N 3.03Å; C123-Q181 HydrophobicContact CB-CB 4.13Å; C123-Q181 HydrophobicContact CB-CG 3.79Å
124	E	97.6	Very high	97	Very high	70 Å²	70	46.3 Å²	46.3	33%	0.327	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-45.6	170.1	-65.2	-58.5	107.4	0	0	111.8	W120 L121 L126 K127 A128 Q181	W120-E124 HydrophobicContact CD2-CG 4.3Å; W120-E124 HydrophobicContact CE3-CG 4.01Å; W120-E124 HydrophobicContact CH2-CG 3.64Å; W120-E124 HydrophobicContact CZ2-CG 3.95Å; W120-E124 HydrophobicContact CZ3-CG 3.68Å; W120-E124 PolarHBondContact O-N 2.91Å; W120-E124 VanDerWaalsContact O-N 3.16Å; L121-E124 PolarHBondContact O-N 3.5Å; E124-L126 PolarHBondContact O-N 3.41Å; E124-K127 PolarHBondContact O-N 3.2Å; E124-K127 WeakPolarHBondContact OE1-CE 3.48Å; E124-K127 IonicContact OE1-NZ 2.99Å; E124-K127 PolarHBondContact OE1-NZ 3.03Å; E124-A128 PolarHBondContact O-N 3.26Å; E124-Q181 PolarHBondContact OE1-NE2 3.04Å
125	E	96.2	Very high	96.9	Very high	56 Å²	56	44.2 Å²	44.2	26%	0.262	25%	0.246	S	C	.	.	H	α-helix	trans	-64.6	-23.7	176.4	-74.9	-167.4	-115.2	0	0	113.8	K66 L121 A122 K138	K66-E125 IonicContact NZ-OE2 2.7Å; K66-E125 PolarHBondContact NZ-OE2 3.36Å; L121-E125 PolarHBondContact O-N 2.88Å; A122-E125 PolarHBondContact O-N 2.8Å; E125-K138 PolarHBondContact O-NZ 3.26Å
126	L	97.6	Very high	96.8	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-78.3	-45.1	172.4	-175.7	73.2	0	0	0	111.2	A122 C123 E124 A128 E129 V135 K138 A139 I142 F177	A122-L126 PolarHBondContact O-N 3.03Å; C123-L126 PolarHBondContact O-N 2.91Å; E124-L126 PolarHBondContact O-N 3.41Å; L126-A128 VanDerWaalsContact C-N 3.26Å; L126-A128 PolarHBondContact O-N 3.43Å; L126-E129 VanDerWaalsContact O-CB 3.26Å; L126-E129 WeakPolarHBondContact O-CB 3.42Å; L126-E129 PolarHBondContact O-N 2.64Å; L126-V135 HydrophobicContact CD1-CB 4.41Å; L126-V135 HydrophobicContact CD1-CG1 4.13Å; L126-K138 HydrophobicContact CD1-CB 3.5Å; L126-K138 VanDerWaalsContact CD1-CB 3.5Å; L126-K138 HydrophobicContact CD1-CD 4.26Å; L126-A139 HydrophobicContact CD1-CB 4.3Å; L126-A139 HydrophobicContact CD2-CB 4.42Å; L126-I142 HydrophobicContact CB-CD1 3.9Å; L126-I142 HydrophobicContact CD1-CD1 4.46Å; L126-I142 HydrophobicContact CD2-CD1 4.12Å; L126-I142 HydrophobicContact CG-CD1 4.39Å; L126-F177 HydrophobicContact CD2-CD2 3.52Å; L126-F177 HydrophobicContact CD2-CE2 3.69Å
127	K	97.5	Very high	96.7	Very high	72 Å²	72	46.1 Å²	46.1	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-66.2	-26.7	179.8	-73.8	-179.2	-57.6	-177.9	0	113.7	C123 E124 E129 A174	C123-K127 WeakPolarHBondContact O-CG 3.29Å; C123-K127 PolarHBondContact O-N 3.03Å; E124-K127 PolarHBondContact O-N 3.2Å; E124-K127 WeakPolarHBondContact OE1-CE 3.48Å; E124-K127 IonicContact OE1-NZ 2.99Å; E124-K127 PolarHBondContact OE1-NZ 3.03Å; K127-E129 VanDerWaalsContact C-N 3.26Å; K127-E129 PolarHBondContact O-N 2.76Å; K127-A174 WeakPolarHBondContact CG-O 3.21Å
128	A	95.5	Very high	96.6	Very high	90 Å²	90	47.7 Å²	47.7	74%	0.744	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.7	172.6	0	0	0	0	0	114.1	E124 L126	E124-A128 PolarHBondContact O-N 3.26Å; L126-A128 VanDerWaalsContact C-N 3.26Å; L126-A128 PolarHBondContact O-N 3.43Å
129	E	95.7	Very high	96.6	Very high	51 Å²	51	47.1 Å²	47.1	24%	0.238	26%	0.259	C	S	.	.			trans	-89.8	128	-177.7	-171.5	57.2	-109.9	0	0	112.3	L126 K127 N131 V134 V135 K138	L126-E129 VanDerWaalsContact O-CB 3.26Å; L126-E129 WeakPolarHBondContact O-CB 3.42Å; L126-E129 PolarHBondContact O-N 2.64Å; K127-E129 VanDerWaalsContact C-N 3.26Å; K127-E129 PolarHBondContact O-N 2.76Å; E129-N131 PolarHBondContact OE1-N 2.9Å; E129-N131 VanDerWaalsContact OE1-N 3.13Å; E129-V134 HydrophobicContact CG-CB 3.78Å; E129-V134 HydrophobicContact CG-CG1 3.85Å; E129-V134 VanDerWaalsContact OE2-CG1 3.27Å; E129-V134 WeakPolarHBondContact OE2-CG1 3.49Å; E129-V135 HydrophobicContact CB-CG2 3.88Å; E129-V135 HydrophobicContact CG-CG2 3.71Å; E129-K138 HydrophobicContact CB-CD 4.37Å; E129-K138 HydrophobicContact CG-CD 4.42Å; E129-K138 IonicContact OE2-NZ 3.61Å; E129-K138 PolarHBondContact OE2-NZ 2.75Å
130	A	94.1	Very high	96.5	Very high	104 Å²	104	51.2 Å²	51.2	86%	0.86	28%	0.275	S	S	*	.			trans	-100.1	-19.3	177.5	0	0	0	0	0	113.1	Q132	A130-Q132 PolarHBondContact O-N 3.48Å
131	N	96.1	Very high	96.4	Very high	85 Å²	85	50 Å²	50	46%	0.455	27%	0.27	S	S	.	.			trans	-87	111.5	-179	-175.1	-28.7	0	0	0	111.1	E129 H133 V134 V135	E129-N131 PolarHBondContact OE1-N 2.9Å; E129-N131 VanDerWaalsContact OE1-N 3.13Å; N131-H133 PolarHBondContact O-N 3.46Å; N131-H133 VanDerWaalsContact O-N 3.14Å; N131-H133 WeakPolarHBondContact OD1-CB 3.18Å; N131-H133 PolarHBondContact OD1-N 2.85Å; N131-V134 HydrophobicContact CB-CB 4.19Å; N131-V134 HydrophobicContact CB-CG2 3.92Å; N131-V134 CarbonylContact O-C 3.59Å; N131-V134 WeakPolarHBondContact O-CA 3.3Å; N131-V134 WeakPolarHBondContact O-CB 3.39Å; N131-V134 PolarHBondContact O-N 3.35Å; N131-V135 PolarHBondContact O-N 2.9Å
132	Q	95.9	Very high	96.5	Very high	100 Å²	100	48.6 Å²	48.6	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-54.1	-35.2	-178.9	-173.5	60.7	45.7	0	0	113.9	A130 V134 V135 D136 P172	A130-Q132 PolarHBondContact O-N 3.48Å; Q132-V134 VanDerWaalsContact C-N 3.3Å; Q132-V134 PolarHBondContact O-N 3.49Å; Q132-V135 PolarHBondContact O-N 3.43Å; Q132-D136 PolarHBondContact NE2-OD1 3.03Å; Q132-D136 WeakPolarHBondContact O-CB 3.26Å; Q132-D136 PolarHBondContact O-N 2.89Å; Q132-P172 PolarHBondContact NE2-O 3Å
133	H	94.7	Very high	96.5	Very high	123 Å²	123	49.8 Å²	49.8	57%	0.569	27%	0.267	S	S	*	.	H	α-helix	trans	-65.8	-35.8	176	-179.6	-73.2	0	0	0	111.7	N131 E137	N131-H133 PolarHBondContact O-N 3.46Å; N131-H133 VanDerWaalsContact O-N 3.14Å; N131-H133 WeakPolarHBondContact OD1-CB 3.18Å; N131-H133 PolarHBondContact OD1-N 2.85Å; H133-E137 IonicContact CE1-OE2 2.7Å; H133-E137 PolarHBondContact O-N 3.3Å
134	V	95	Very high	96.4	Very high	47 Å²	47	51.8 Å²	51.8	29%	0.285	28%	0.276	S	S	.	.	H	α-helix	trans	-77.4	-32.8	177.4	-174.2	0	0	0	0	110.8	E129 N131 Q132 E137 K138	E129-V134 HydrophobicContact CG-CB 3.78Å; E129-V134 HydrophobicContact CG-CG1 3.85Å; E129-V134 VanDerWaalsContact OE2-CG1 3.27Å; E129-V134 WeakPolarHBondContact OE2-CG1 3.49Å; N131-V134 HydrophobicContact CB-CB 4.19Å; N131-V134 HydrophobicContact CB-CG2 3.92Å; N131-V134 CarbonylContact O-C 3.59Å; N131-V134 WeakPolarHBondContact O-CA 3.3Å; N131-V134 WeakPolarHBondContact O-CB 3.39Å; N131-V134 PolarHBondContact O-N 3.35Å; Q132-V134 VanDerWaalsContact C-N 3.3Å; Q132-V134 PolarHBondContact O-N 3.49Å; V134-E137 PolarHBondContact O-N 3.4Å; V134-K138 HydrophobicContact CG1-CD 4.01Å; V134-K138 HydrophobicContact CG1-CG 4.2Å; V134-K138 VanDerWaalsContact O-CB 3.29Å; V134-K138 WeakPolarHBondContact O-CB 3.44Å; V134-K138 WeakPolarHBondContact O-CG 3.41Å; V134-K138 PolarHBondContact O-N 3.19Å
135	V	96.9	Very high	96.3	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.024	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-52.1	168.8	171.1	0	0	0	0	110.7	L126 E129 N131 Q132 E137 K138 A139 S173	L126-V135 HydrophobicContact CD1-CB 4.41Å; L126-V135 HydrophobicContact CD1-CG1 4.13Å; E129-V135 HydrophobicContact CB-CG2 3.88Å; E129-V135 HydrophobicContact CG-CG2 3.71Å; N131-V135 PolarHBondContact O-N 2.9Å; Q132-V135 PolarHBondContact O-N 3.43Å; V135-E137 PolarHBondContact O-N 3.03Å; V135-K138 PolarHBondContact O-N 2.92Å; V135-A139 WeakPolarHBondContact O-CB 3.34Å; V135-A139 PolarHBondContact O-N 2.95Å; V135-S173 VanDerWaalsContact CG1-C 3.41Å
136	D	95.9	Very high	96.4	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.193	25%	0.25	C	S	.	.	H	α-helix	trans	-54.7	-37.5	176.9	-88.5	26	0	0	0	113	Q132 R140	Q132-D136 PolarHBondContact NE2-OD1 3.03Å; Q132-D136 WeakPolarHBondContact O-CB 3.26Å; Q132-D136 PolarHBondContact O-N 2.89Å; D136-R140 VanDerWaalsContact O-CG 3.31Å; D136-R140 WeakPolarHBondContact O-CG 3.34Å; D136-R140 PolarHBondContact O-N 2.97Å; D136-R140 PolarHBondContact O-NH1 3.4Å; D136-R140 IonicContact OD2-NH1 3.65Å
137	E	95.3	Very high	96.4	Very high	54 Å²	54	46.2 Å²	46.2	25%	0.252	25%	0.25	S	S	.	.	H	α-helix	trans	-77.7	-51.6	179.3	-177.9	167.4	152.9	0	0	111.7	R55 H133 V134 V135 A139 R140 L141	R55-E137 VanDerWaalsContact CD-OE1 3.26Å; R55-E137 WeakPolarHBondContact CD-OE1 3.41Å; R55-E137 WeakPolarHBondContact CG-OE1 3.36Å; R55-E137 IonicContact CZ-OE2 2.72Å; R55-E137 IonicContact NH1-OE1 3.77Å; R55-E137 IonicContact NH1-OE2 2.67Å; R55-E137 PolarHBondContact NH1-OE2 2.88Å; H133-E137 IonicContact CE1-OE2 2.7Å; H133-E137 PolarHBondContact O-N 3.3Å; V134-E137 PolarHBondContact O-N 3.4Å; V135-E137 PolarHBondContact O-N 3.03Å; E137-A139 VanDerWaalsContact C-N 3.31Å; E137-A139 PolarHBondContact O-N 3.03Å; E137-R140 PolarHBondContact O-N 3.23Å; E137-L141 HydrophobicContact CG-CD1 3.9Å; E137-L141 WeakPolarHBondContact O-CD1 3.34Å; E137-L141 VanDerWaalsContact O-CG 3.32Å; E137-L141 WeakPolarHBondContact O-CG 3.28Å; E137-L141 PolarHBondContact O-N 2.76Å; E137-L141 VanDerWaalsContact O-N 3.08Å
138	K	96.6	Very high	96.4	Very high	33 Å²	33	44 Å²	44	14%	0.143	24%	0.243	C	C	.	.	H	α-helix	trans	-57.7	-42.9	176.6	-77.5	175.2	172.6	173	0	111.3	E125 L126 E129 V134 V135 L141 I142	E125-K138 PolarHBondContact O-NZ 3.26Å; L126-K138 HydrophobicContact CD1-CB 3.5Å; L126-K138 VanDerWaalsContact CD1-CB 3.5Å; L126-K138 HydrophobicContact CD1-CD 4.26Å; E129-K138 HydrophobicContact CB-CD 4.37Å; E129-K138 HydrophobicContact CG-CD 4.42Å; E129-K138 IonicContact OE2-NZ 3.61Å; E129-K138 PolarHBondContact OE2-NZ 2.75Å; V134-K138 HydrophobicContact CG1-CD 4.01Å; V134-K138 HydrophobicContact CG1-CG 4.2Å; V134-K138 VanDerWaalsContact O-CB 3.29Å; V134-K138 WeakPolarHBondContact O-CB 3.44Å; V134-K138 WeakPolarHBondContact O-CG 3.41Å; V134-K138 PolarHBondContact O-N 3.19Å; V135-K138 PolarHBondContact O-N 2.92Å; K138-L141 PolarHBondContact O-N 2.81Å; K138-I142 WeakPolarHBondContact O-CB 3.42Å; K138-I142 WeakPolarHBondContact O-CD1 3.29Å; K138-I142 VanDerWaalsContact O-CG1 3.23Å; K138-I142 WeakPolarHBondContact O-CG1 3.13Å; K138-I142 PolarHBondContact O-N 2.82Å
139	A	97.8	Very high	96.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-39.4	-179.5	0	0	0	0	0	112.5	L126 V135 E137 Y143 M169 P172 F177	L126-A139 HydrophobicContact CD1-CB 4.3Å; L126-A139 HydrophobicContact CD2-CB 4.42Å; V135-A139 WeakPolarHBondContact O-CB 3.34Å; V135-A139 PolarHBondContact O-N 2.95Å; E137-A139 VanDerWaalsContact C-N 3.31Å; E137-A139 PolarHBondContact O-N 3.03Å; A139-Y143 WeakPolarHBondContact O-CB 3.35Å; A139-Y143 PolarHBondContact O-N 3.36Å; A139-M169 HydrophobicContact CB-CE 4.09Å; A139-M169 HydrophobicContact CB-SD 4.49Å; A139-M169 WeakPolarHBondContact O-CE 3.33Å; A139-P172 HydrophobicContact CB-CB 3.61Å; A139-P172 HydrophobicContact CB-CG 4.32Å; A139-F177 HydrophobicContact CB-CE2 3.85Å; A139-F177 HydrophobicContact CB-CZ 4.25Å; A139-F177 WeakPolarHBondContact O-CZ 3.49Å
140	R	96.4	Very high	96.2	Very high	86 Å²	86	50.5 Å²	50.5	33%	0.325	27%	0.265	S	S	.	.	H	α-helix	trans	-59.3	-47.2	171.2	-79.4	178.1	171.8	91.1	-2.5	111.5	W43 D136 E137 Y143 E144 M169	W43-R140 HydrophobicContact CH2-CG 4.47Å; W43-R140 HydrophobicContact CZ3-CG 4.12Å; D136-R140 VanDerWaalsContact O-CG 3.31Å; D136-R140 WeakPolarHBondContact O-CG 3.34Å; D136-R140 PolarHBondContact O-N 2.97Å; D136-R140 PolarHBondContact O-NH1 3.4Å; D136-R140 IonicContact OD2-NH1 3.65Å; E137-R140 PolarHBondContact O-N 3.23Å; R140-Y143 PolarHBondContact O-N 2.78Å; R140-E144 WeakPolarHBondContact O-CB 3.04Å; R140-E144 WeakPolarHBondContact O-CG 3.48Å; R140-E144 PolarHBondContact O-N 3.39Å; R140-M169 HydrophobicContact CG-CE 4.39Å
141	L	96.5	Very high	96.3	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-39.9	-178.8	-65.1	163.6	0	0	0	112.3	R56 W59 E137 K138 E144 D145	R56-L141 HydrophobicContact CB-CD2 4.44Å; R56-L141 HydrophobicContact CG-CD2 3.37Å; W59-L141 HydrophobicContact CB-CD1 3.89Å; W59-L141 HydrophobicContact CD2-CB 4.09Å; W59-L141 HydrophobicContact CD2-CD1 3.99Å; W59-L141 HydrophobicContact CD2-CG 4.5Å; W59-L141 HydrophobicContact CE3-CB 4.31Å; W59-L141 HydrophobicContact CG-CD1 3.58Å; W59-L141 HydrophobicContact CH2-CB 4.16Å; W59-L141 HydrophobicContact CZ2-CB 3.98Å; W59-L141 HydrophobicContact CZ3-CB 4.35Å; E137-L141 HydrophobicContact CG-CD1 3.9Å; E137-L141 WeakPolarHBondContact O-CD1 3.34Å; E137-L141 VanDerWaalsContact O-CG 3.32Å; E137-L141 WeakPolarHBondContact O-CG 3.28Å; E137-L141 PolarHBondContact O-N 2.76Å; E137-L141 VanDerWaalsContact O-N 3.08Å; K138-L141 PolarHBondContact O-N 2.81Å; L141-E144 PolarHBondContact O-N 2.9Å; L141-D145 WeakPolarHBondContact O-CB 3.3Å; L141-D145 PolarHBondContact O-N 3.5Å
142	I	98.1	Very high	96.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-62.1	-43.8	173.4	-70.2	163.6	0	0	0	110.9	W59 F119 A122 L126 K138 Y146 F177	W59-I142 HydrophobicContact CZ2-CG1 4.34Å; F119-I142 HydrophobicContact CD2-CG2 4.05Å; F119-I142 HydrophobicContact CE2-CG2 3.77Å; A122-I142 HydrophobicContact CB-CD1 4.04Å; A122-I142 HydrophobicContact CB-CG1 3.77Å; A122-I142 WeakPolarHBondContact O-CD1 3.35Å; L126-I142 HydrophobicContact CB-CD1 3.9Å; L126-I142 HydrophobicContact CD1-CD1 4.46Å; L126-I142 HydrophobicContact CD2-CD1 4.12Å; L126-I142 HydrophobicContact CG-CD1 4.39Å; K138-I142 WeakPolarHBondContact O-CB 3.42Å; K138-I142 WeakPolarHBondContact O-CD1 3.29Å; K138-I142 VanDerWaalsContact O-CG1 3.23Å; K138-I142 WeakPolarHBondContact O-CG1 3.13Å; K138-I142 PolarHBondContact O-N 2.82Å; I142-Y146 HydrophobicContact CG2-CD2 4.5Å; I142-Y146 WeakPolarHBondContact O-CB 3.43Å; I142-Y146 PolarHBondContact O-N 2.89Å; I142-F177 HydrophobicContact CB-CE2 4.03Å; I142-F177 HydrophobicContact CB-CZ 4Å; I142-F177 HydrophobicContact CD1-CE2 4.32Å; I142-F177 HydrophobicContact CG2-CD1 4.03Å; I142-F177 HydrophobicContact CG2-CD2 3.97Å; I142-F177 HydrophobicContact CG2-CE1 3.83Å; I142-F177 HydrophobicContact CG2-CE2 3.78Å; I142-F177 HydrophobicContact CG2-CG 4.11Å; I142-F177 HydrophobicContact CG2-CZ 3.71Å
143	Y	98.1	Very high	96.1	Very high	28 Å²	28	47.4 Å²	47.4	11%	0.11	24%	0.243	C	C	.	.	I	π-helix	trans	-62.4	-50.8	176.2	-175.4	-76.2	0	0	0	111.4	W43 A139 R140 D145 V147 S148 I165 N166 M169	W43-Y143 AromaticContact CE2-CE1 3.99Å; W43-Y143 HydrophobicContact CH2-CD1 4.09Å; W43-Y143 HydrophobicContact CH2-CG 4.06Å; W43-Y143 AromaticContact CZ2-CD1 3.39Å; W43-Y143 HydrophobicContact CZ2-CD1 3.39Å; W43-Y143 AromaticContact CZ2-CD2 3.87Å; W43-Y143 HydrophobicContact CZ2-CD2 3.87Å; W43-Y143 AromaticContact CZ2-CE1 3.51Å; W43-Y143 HydrophobicContact CZ2-CE1 3.51Å; W43-Y143 AromaticContact CZ2-CE2 3.94Å; W43-Y143 HydrophobicContact CZ2-CE2 3.94Å; W43-Y143 AromaticContact CZ2-CG 3.6Å; W43-Y143 HydrophobicContact CZ2-CG 3.6Å; W43-Y143 AromaticContact CZ2-CZ 3.77Å; W43-Y143 AromaticContact NE1-CE1 3.9Å; W43-Y143 AromaticContact NE1-CZ 3.89Å; A139-Y143 WeakPolarHBondContact O-CB 3.35Å; A139-Y143 PolarHBondContact O-N 3.36Å; R140-Y143 PolarHBondContact O-N 2.78Å; Y143-D145 PolarHBondContact O-N 3.27Å; Y143-V147 HydrophobicContact CD2-CB 3.82Å; Y143-V147 HydrophobicContact CD2-CG1 3.83Å; Y143-V147 HydrophobicContact CE2-CB 4.14Å; Y143-V147 HydrophobicContact CE2-CG1 3.72Å; Y143-V147 HydrophobicContact CG-CB 4.09Å; Y143-V147 CarbonylContact O-C 3.58Å; Y143-V147 WeakPolarHBondContact O-CA 3.32Å; Y143-V147 PolarHBondContact O-N 2.8Å; Y143-S148 PolarHBondContact O-N 3.29Å; Y143-I165 HydrophobicContact CD2-CG2 3.75Å; Y143-I165 HydrophobicContact CE2-CG2 4.02Å; Y143-N166 VanDerWaalsContact CE2-OD1 3.27Å; Y143-N166 WeakPolarHBondContact CE2-OD1 3.3Å; Y143-N166 PolarHBondContact OH-OD1 2.81Å; Y143-M169 HydrophobicContact CD2-CG 3.67Å; Y143-M169 HydrophobicContact CD2-SD 4.28Å; Y143-M169 HydrophobicContact CE2-CG 4.14Å; Y143-M169 HydrophobicContact CG-CG 4.44Å
144	E	96.6	Very high	96.3	Very high	44 Å²	44	44.8 Å²	44.8	21%	0.206	23%	0.231	C	C	.	.	I	π-helix	trans	-62	-40.1	-177	-74.5	-179.6	148.9	0	0	112.5	N52 R56 R140 L141	N52-E144 PolarHBondContact ND2-OE1 3.14Å; N52-E144 PolarHBondContact ND2-OE2 3.27Å; R56-E144 IonicContact CZ-OE1 2.7Å; R56-E144 IonicContact CZ-OE2 3.12Å; R56-E144 IonicContact NE-OE2 2.83Å; R56-E144 PolarHBondContact NE-OE2 3.47Å; R56-E144 IonicContact NH1-OE2 2.66Å; R56-E144 IonicContact NH2-OE1 2.87Å; R56-E144 PolarHBondContact NH2-OE1 3.37Å; R56-E144 IonicContact NH2-OE2 2.9Å; R56-E144 PolarHBondContact NH2-OE2 3.27Å; R140-E144 WeakPolarHBondContact O-CB 3.04Å; R140-E144 WeakPolarHBondContact O-CG 3.48Å; R140-E144 PolarHBondContact O-N 3.39Å; L141-E144 PolarHBondContact O-N 2.9Å
145	D	96.4	Very high	96.4	Very high	9 Å²	9	42.6 Å²	42.6	5%	0.048	22%	0.217	C	C	.	.	I	π-helix	trans	-84.4	-27.2	-179.4	-88.3	28.9	0	0	0	113.6	W59 Q60 L141 Y143 S151 K153	W59-D145 HydrophobicContact CZ3-CB 4.47Å; Q60-D145 PolarHBondContact NE2-OD2 3.14Å; L141-D145 WeakPolarHBondContact O-CB 3.3Å; L141-D145 PolarHBondContact O-N 3.5Å; Y143-D145 PolarHBondContact O-N 3.27Å; D145-S151 VanDerWaalsContact C-OG 3.31Å; D145-S151 WeakPolarHBondContact O-CB 3.32Å; D145-S151 PolarHBondContact O-OG 3.28Å; D145-K153 CarbonylContact O-C 3.44Å; D145-K153 WeakPolarHBondContact O-CB 3.04Å
146	Y	98.1	Very high	96.4	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	25%	0.247	C	C	.	.	I	π-helix	trans	-127.5	-22.4	-171.9	-58.7	-74.3	0	0	0	116.5	W59 R63 E115 L118 F119 A122 I142 K153 E154 V155	W59-Y146 HydrophobicContact CH2-CE2 4.34Å; R63-Y146 PolarHBondContact NH1-OH 3.32Å; R63-Y146 PolarHBondContact NH2-OH 3.42Å; E115-Y146 HydrophobicContact CB-CD1 4.48Å; E115-Y146 HydrophobicContact CB-CE1 4.3Å; L118-Y146 HydrophobicContact CB-CE1 4.01Å; L118-Y146 WeakPolarHBondContact CB-OH 3.41Å; F119-Y146 HydrophobicContact CB-CD1 3.76Å; F119-Y146 HydrophobicContact CB-CD2 4.33Å; F119-Y146 HydrophobicContact CB-CE1 4.26Å; F119-Y146 HydrophobicContact CB-CG 3.82Å; F119-Y146 VanDerWaalsContact CD2-CB 3.45Å; F119-Y146 HydrophobicContact CD2-CD2 4.03Å; F119-Y146 AromaticContact CD2-CG 3.76Å; F119-Y146 HydrophobicContact CD2-CG 3.76Å; F119-Y146 HydrophobicContact CG-CG 4.22Å; A122-Y146 HydrophobicContact CB-CE2 4.45Å; I142-Y146 HydrophobicContact CG2-CD2 4.5Å; I142-Y146 WeakPolarHBondContact O-CB 3.43Å; I142-Y146 PolarHBondContact O-N 2.89Å; Y146-K153 HydrophobicContact CD1-CB 4.26Å; Y146-K153 WeakPolarHBondContact CD1-O 3.3Å; Y146-K153 HydrophobicContact CE1-CB 4.13Å; Y146-K153 HydrophobicContact CE1-CD 4.44Å; Y146-E154 WeakPolarHBondContact O-CA 3.25Å; Y146-V155 HydrophobicContact CD1-CG1 4.32Å; Y146-V155 VanDerWaalsContact O-CG2 3.29Å; Y146-V155 WeakPolarHBondContact O-CG2 3.38Å; Y146-V155 PolarHBondContact O-N 3.24Å
147	V	97.8	Very high	96.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	I	π-helix	trans	-109.9	-19.9	-174.1	-173.1	0	0	0	0	112.6	F119 Y143 L157 R162 I165 F177	F119-V147 HydrophobicContact CE2-CG2 4.26Å; Y143-V147 HydrophobicContact CD2-CB 3.82Å; Y143-V147 HydrophobicContact CD2-CG1 3.83Å; Y143-V147 HydrophobicContact CE2-CB 4.14Å; Y143-V147 HydrophobicContact CE2-CG1 3.72Å; Y143-V147 HydrophobicContact CG-CB 4.09Å; Y143-V147 CarbonylContact O-C 3.58Å; Y143-V147 WeakPolarHBondContact O-CA 3.32Å; Y143-V147 PolarHBondContact O-N 2.8Å; V147-L157 HydrophobicContact CG1-CD1 4.36Å; V147-L157 HydrophobicContact CG2-CD1 4.33Å; V147-R162 HydrophobicContact CG1-CG 4.18Å; V147-R162 PolarHBondContact O-NH1 3.22Å; V147-I165 HydrophobicContact CG1-CD1 4Å; V147-I165 HydrophobicContact CG1-CG2 4.13Å; V147-I165 HydrophobicContact CG2-CD1 4.16Å; V147-F177 HydrophobicContact CG2-CD1 4.22Å; V147-F177 HydrophobicContact CG2-CE1 3.99Å
148	S	96.2	Very high	96.4	Very high	25 Å²	25	48 Å²	48	18%	0.175	26%	0.255	C	S	.	.			trans	-68.6	129.1	174.6	-176.6	0	0	0	0	111.5	Y143 L150 S151	Y143-S148 PolarHBondContact O-N 3.29Å; S148-L150 PolarHBondContact O-N 2.97Å; S148-L150 PolarHBondContact OG-N 3.24Å; S148-S151 WeakPolarHBondContact O-CB 3.23Å; S148-S151 PolarHBondContact O-N 2.84Å
149	I	94.1	Very high	96.4	Very high	124 Å²	124	50.6 Å²	50.6	64%	0.636	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-5.4	171.6	62.9	169.9	0	0	0	114.1	E154 R162	I149-E154 WeakPolarHBondContact CA-OE2 3.49Å; I149-R162 VanDerWaalsContact CG2-NH1 3.3Å
150	L	94.6	Very high	96.3	Very high	154 Å²	154	60.6 Å²	60.6	81%	0.806	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	1.9	176.3	-54.4	-179.2	0	0	0	112	S148	S148-L150 PolarHBondContact O-N 2.97Å; S148-L150 PolarHBondContact OG-N 3.24Å
151	S	95.1	Very high	96.4	Very high	17 Å²	17	57.7 Å²	57.7	12%	0.119	31%	0.307	C	S	.	.			trans	-82.9	135.2	179.5	-176.4	0	0	0	0	111.7	D145 S148 K153 E154	D145-S151 VanDerWaalsContact C-OG 3.31Å; D145-S151 WeakPolarHBondContact O-CB 3.32Å; D145-S151 PolarHBondContact O-OG 3.28Å; S148-S151 WeakPolarHBondContact O-CB 3.23Å; S148-S151 PolarHBondContact O-N 2.84Å; S151-K153 PolarHBondContact O-N 3.12Å; S151-K153 PolarHBondContact OG-N 3.43Å; S151-E154 WeakPolarHBondContact O-CB 3.47Å; S151-E154 PolarHBondContact O-N 3.04Å
152	P	93.4	Very high	96.4	Very high	130 Å²	130	59.6 Å²	59.6	84%	0.844	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-4.9	168.3	32.5	-36.8	0	0	0	113.5
153	K	95.5	Very high	96.3	Very high	78 Å²	78	64.4 Å²	64.4	34%	0.339	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	23.8	176.1	-56.9	175.3	-174.5	172.4	0	111.7	E115 D145 Y146 S151 V155	E115-K153 HydrophobicContact CB-CB 4.1Å; D145-K153 CarbonylContact O-C 3.44Å; D145-K153 WeakPolarHBondContact O-CB 3.04Å; Y146-K153 HydrophobicContact CD1-CB 4.26Å; Y146-K153 WeakPolarHBondContact CD1-O 3.3Å; Y146-K153 HydrophobicContact CE1-CB 4.13Å; Y146-K153 HydrophobicContact CE1-CD 4.44Å; S151-K153 PolarHBondContact O-N 3.12Å; S151-K153 PolarHBondContact OG-N 3.43Å; K153-V155 PolarHBondContact O-N 3.39Å
154	E	97	Very high	96.3	Very high	68 Å²	68	64 Å²	64	32%	0.318	34%	0.341	S	S	.	.			trans	-55.2	128.6	177.1	178.8	177.9	-164.9	0	0	111.3	Y146 I149 S151 R162	Y146-E154 WeakPolarHBondContact O-CA 3.25Å; I149-E154 WeakPolarHBondContact CA-OE2 3.49Å; S151-E154 WeakPolarHBondContact O-CB 3.47Å; S151-E154 PolarHBondContact O-N 3.04Å; E154-R162 IonicContact OE1-CZ 2.69Å; E154-R162 IonicContact OE1-NH1 3.74Å; E154-R162 PolarHBondContact OE1-NH1 3.48Å; E154-R162 IonicContact OE1-NH2 3.88Å; E154-R162 PolarHBondContact OE1-NH2 2.98Å
155	V	97.9	Very high	96.4	Very high	1 Å²	1	62 Å²	62	1%	0.006	33%	0.332	C	S	.	.			trans	-87.4	146.7	172.7	-69.6	0	0	0	0	111.6	E115 F119 Y146 K153 L157 I184	E115-V155 HydrophobicContact CG-CG1 4.15Å; F119-V155 HydrophobicContact CB-CG1 3.78Å; F119-V155 HydrophobicContact CD1-CG1 4.34Å; F119-V155 HydrophobicContact CD1-CG2 4.1Å; F119-V155 HydrophobicContact CD2-CG2 4.42Å; F119-V155 HydrophobicContact CE1-CG2 4.33Å; F119-V155 HydrophobicContact CG-CG1 4.11Å; F119-V155 HydrophobicContact CG-CG2 4.14Å; Y146-V155 HydrophobicContact CD1-CG1 4.32Å; Y146-V155 VanDerWaalsContact O-CG2 3.29Å; Y146-V155 WeakPolarHBondContact O-CG2 3.38Å; Y146-V155 PolarHBondContact O-N 3.24Å; K153-V155 PolarHBondContact O-N 3.39Å; V155-L157 HydrophobicContact CG2-CD1 3.9Å; V155-L157 HydrophobicContact CG2-CD2 4.24Å; V155-L157 HydrophobicContact CG2-CG 3.83Å; V155-L157 PolarHBondContact O-N 3.26Å; V155-I184 HydrophobicContact CB-CD1 3.78Å; V155-I184 HydrophobicContact CB-CG1 4.12Å; V155-I184 HydrophobicContact CG1-CD1 4.48Å; V155-I184 HydrophobicContact CG2-CD1 4.18Å; V155-I184 HydrophobicContact CG2-CG1 4.16Å
156	S	96.1	Very high	96.3	Very high	92 Å²	92	64.9 Å²	64.9	64%	0.643	35%	0.347	S	S	*	.			trans	-71.8	101.4	178.8	-171.7	0	0	0	0	111.3	I184	S156-I184 VanDerWaalsContact O-CD1 3.3Å; S156-I184 WeakPolarHBondContact O-CD1 3.31Å
157	L	96.5	Very high	96.3	Very high	15 Å²	15	71.5 Å²	71.5	8%	0.079	38%	0.376	C	S	.	.			trans	-120.3	139.9	179.9	-63.1	175.6	0	0	0	112	V147 V155 V161 I165 A180 Q183 I184	V147-L157 HydrophobicContact CG1-CD1 4.36Å; V147-L157 HydrophobicContact CG2-CD1 4.33Å; V155-L157 HydrophobicContact CG2-CD1 3.9Å; V155-L157 HydrophobicContact CG2-CD2 4.24Å; V155-L157 HydrophobicContact CG2-CG 3.83Å; V155-L157 PolarHBondContact O-N 3.26Å; L157-V161 HydrophobicContact CD2-CG1 4.33Å; L157-I165 HydrophobicContact CD1-CD1 4.08Å; L157-A180 HydrophobicContact CD1-CB 3.94Å; L157-A180 HydrophobicContact CD2-CB 3.67Å; L157-A180 HydrophobicContact CG-CB 4.48Å; L157-Q183 HydrophobicContact CD2-CB 4.43Å; L157-Q183 HydrophobicContact CD2-CG 4.17Å; L157-I184 HydrophobicContact CD2-CD1 3.78Å; L157-I184 HydrophobicContact CD2-CG1 3.8Å
158	D	96.2	Very high	96.2	Very high	99 Å²	99	74.8 Å²	74.8	53%	0.529	39%	0.39	S	S	.	.			trans	-61.7	147.5	172.4	-71.5	-25.9	0	0	0	111.2	R160 V161 R162 Q183	D158-R160 VanDerWaalsContact C-N 3.29Å; D158-R160 PolarHBondContact O-N 3.19Å; D158-V161 HydrophobicContact CB-CG2 4.25Å; D158-V161 PolarHBondContact O-N 3.28Å; D158-R162 PolarHBondContact O-N 2.52Å; D158-Q183 PolarHBondContact OD2-NE2 3.35Å
159	S	95.8	Very high	96.2	Very high	88 Å²	88	74.3 Å²	74.3	62%	0.615	39%	0.385	S	S	*	.	H	α-helix	trans	-51.7	-46.1	179.3	54.5	0	0	0	0	112.7	V161 R162 E163	S159-V161 VanDerWaalsContact C-N 3.34Å; S159-V161 PolarHBondContact O-N 3.03Å; S159-R162 PolarHBondContact O-N 3.07Å; S159-E163 WeakPolarHBondContact O-CB 3.38Å; S159-E163 WeakPolarHBondContact O-CG 3.27Å; S159-E163 PolarHBondContact O-N 2.92Å
160	R	96.6	Very high	96.2	Very high	210 Å²	210	76.8 Å²	76.8	79%	0.792	39%	0.394	S	S	*	.	H	α-helix	trans	-61.6	-38.1	179.1	-174.5	179.6	178.3	-168.2	-1.3	113.1	D158 G164	D158-R160 VanDerWaalsContact C-N 3.29Å; D158-R160 PolarHBondContact O-N 3.19Å; R160-G164 PolarHBondContact O-N 3.03Å
161	V	97.5	Very high	96.1	Very high	26 Å²	26	77.6 Å²	77.6	16%	0.158	39%	0.394	C	S	.	.	H	α-helix	trans	-69.3	-44.5	178.6	173.1	0	0	0	0	109.7	L157 D158 S159 G164 I165 D179 A180	L157-V161 HydrophobicContact CD2-CG1 4.33Å; D158-V161 HydrophobicContact CB-CG2 4.25Å; D158-V161 PolarHBondContact O-N 3.28Å; S159-V161 VanDerWaalsContact C-N 3.34Å; S159-V161 PolarHBondContact O-N 3.03Å; V161-G164 WeakPolarHBondContact O-CA 3.34Å; V161-G164 PolarHBondContact O-N 3.28Å; V161-G164 VanDerWaalsContact O-N 3.14Å; V161-I165 HydrophobicContact CG1-CD1 4.47Å; V161-I165 PolarHBondContact O-N 3.23Å; V161-D179 HydrophobicContact CG1-CB 4.34Å; V161-A180 HydrophobicContact CG1-CB 3.6Å
162	R	97.4	Very high	96.2	Very high	41 Å²	41	77 Å²	77	16%	0.155	39%	0.39	C	S	.	.	H	α-helix	trans	-63.5	-42.2	176.1	-167	179.9	-57.1	-124.8	14.1	112.9	V147 I149 E154 D158 S159 G164 I165 N166	V147-R162 HydrophobicContact CG1-CG 4.18Å; V147-R162 PolarHBondContact O-NH1 3.22Å; I149-R162 VanDerWaalsContact CG2-NH1 3.3Å; E154-R162 IonicContact OE1-CZ 2.69Å; E154-R162 IonicContact OE1-NH1 3.74Å; E154-R162 PolarHBondContact OE1-NH1 3.48Å; E154-R162 IonicContact OE1-NH2 3.88Å; E154-R162 PolarHBondContact OE1-NH2 2.98Å; D158-R162 PolarHBondContact O-N 2.52Å; S159-R162 PolarHBondContact O-N 3.07Å; R162-G164 VanDerWaalsContact C-N 3.28Å; R162-G164 PolarHBondContact O-N 3.16Å; R162-I165 PolarHBondContact O-N 3.33Å; R162-N166 WeakPolarHBondContact O-CB 3.49Å; R162-N166 PolarHBondContact O-N 2.87Å; R162-N166 PolarHBondContact O-OD1 3.38Å
163	E	96.4	Very high	96.4	Very high	102 Å²	102	73.1 Å²	73.1	48%	0.477	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-37.8	171.6	-77.5	178	-148	0	0	112.4	S159 N166 K167	S159-E163 WeakPolarHBondContact O-CB 3.38Å; S159-E163 WeakPolarHBondContact O-CG 3.27Å; S159-E163 PolarHBondContact O-N 2.92Å; E163-N166 PolarHBondContact O-N 3.4Å; E163-K167 WeakPolarHBondContact O-CG 3.48Å; E163-K167 PolarHBondContact O-N 2.87Å
164	G	97.5	Very high	96.4	Very high	21 Å²	21	70.4 Å²	70.4	22%	0.216	36%	0.358	C	S	.	.	H	α-helix	trans	-60	-49.8	173.1	0	0	0	0	0	111.8	R160 V161 R162 K167 K168	R160-G164 PolarHBondContact O-N 3.03Å; V161-G164 WeakPolarHBondContact O-CA 3.34Å; V161-G164 PolarHBondContact O-N 3.28Å; V161-G164 VanDerWaalsContact O-N 3.14Å; R162-G164 VanDerWaalsContact C-N 3.28Å; R162-G164 PolarHBondContact O-N 3.16Å; G164-K167 PolarHBondContact O-N 3.26Å; G164-K168 WeakPolarHBondContact O-CG 3.28Å; G164-K168 PolarHBondContact O-N 3.45Å; G164-K168 VanDerWaalsContact O-N 3.1Å
165	I	97.8	Very high	96.5	Very high	2 Å²	2	72.2 Å²	72.2	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-59.2	-49.6	174.7	-67	162.6	0	0	0	110.8	Y143 V147 L157 V161 R162 K167 K168 M169 T176 F177 A180	Y143-I165 HydrophobicContact CD2-CG2 3.75Å; Y143-I165 HydrophobicContact CE2-CG2 4.02Å; V147-I165 HydrophobicContact CG1-CD1 4Å; V147-I165 HydrophobicContact CG1-CG2 4.13Å; V147-I165 HydrophobicContact CG2-CD1 4.16Å; L157-I165 HydrophobicContact CD1-CD1 4.08Å; V161-I165 HydrophobicContact CG1-CD1 4.47Å; V161-I165 PolarHBondContact O-N 3.23Å; R162-I165 PolarHBondContact O-N 3.33Å; I165-K167 PolarHBondContact O-N 3.42Å; I165-K167 VanDerWaalsContact O-N 3.12Å; I165-K168 CarbonylContact O-C 3.51Å; I165-K168 WeakPolarHBondContact O-CA 3.37Å; I165-K168 PolarHBondContact O-N 2.96Å; I165-M169 HydrophobicContact CG2-CG 3.87Å; I165-M169 HydrophobicContact CG2-SD 4.31Å; I165-M169 WeakPolarHBondContact O-CG 3.47Å; I165-M169 PolarHBondContact O-N 2.8Å; I165-T176 HydrophobicContact CG2-CG2 4.42Å; I165-F177 HydrophobicContact CD1-CD1 3.95Å; I165-F177 HydrophobicContact CD1-CE1 4.5Å; I165-F177 HydrophobicContact CG1-CD1 4.12Å; I165-F177 HydrophobicContact CG2-CD1 4.12Å; I165-F177 HydrophobicContact CG2-CE1 3.7Å; I165-A180 HydrophobicContact CD1-CB 3.63Å
166	N	95.5	Very high	96.5	Very high	69 Å²	69	72.2 Å²	72.2	37%	0.369	37%	0.366	S	S	.	.	H	α-helix	trans	-55.2	-34.6	-178.4	-70.9	-11.6	0	0	0	113	Y143 R162 E163	Y143-N166 VanDerWaalsContact CE2-OD1 3.27Å; Y143-N166 WeakPolarHBondContact CE2-OD1 3.3Å; Y143-N166 PolarHBondContact OH-OD1 2.81Å; R162-N166 WeakPolarHBondContact O-CB 3.49Å; R162-N166 PolarHBondContact O-N 2.87Å; R162-N166 PolarHBondContact O-OD1 3.38Å; E163-N166 PolarHBondContact O-N 3.4Å
167	K	96.4	Very high	96.6	Very high	140 Å²	140	67.9 Å²	67.9	61%	0.609	34%	0.336	S	S	*	.	H	α-helix	trans	-72.2	-48.6	173.5	-68.7	166.4	-173	168.6	0	111.4	E163 G164 I165 M169 Q170	E163-K167 WeakPolarHBondContact O-CG 3.48Å; E163-K167 PolarHBondContact O-N 2.87Å; G164-K167 PolarHBondContact O-N 3.26Å; I165-K167 PolarHBondContact O-N 3.42Å; I165-K167 VanDerWaalsContact O-N 3.12Å; K167-M169 PolarHBondContact O-N 3.19Å; K167-Q170 PolarHBondContact O-N 3.42Å
168	K	96.3	Very high	96.7	Very high	69 Å²	69	69.8 Å²	69.8	30%	0.3	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-23.3	178.1	-65.1	177.1	-165.3	176.5	0	113.4	G164 I165 Q170 E171 T176 D179	G164-K168 WeakPolarHBondContact O-CG 3.28Å; G164-K168 PolarHBondContact O-N 3.45Å; G164-K168 VanDerWaalsContact O-N 3.1Å; I165-K168 CarbonylContact O-C 3.51Å; I165-K168 WeakPolarHBondContact O-CA 3.37Å; I165-K168 PolarHBondContact O-N 2.96Å; K168-Q170 PolarHBondContact O-N 2.95Å; K168-E171 CarbonylContact O-C 3.17Å; K168-E171 PolarHBondContact O-N 2.61Å; K168-E171 VanDerWaalsContact O-O 3.1Å; K168-T176 HydrophobicContact CB-CG2 3.95Å; K168-T176 VanDerWaalsContact CD-O 3.25Å; K168-T176 WeakPolarHBondContact CD-O 3.36Å; K168-T176 PolarHBondContact NZ-O 3.09Å; K168-D179 IonicContact NZ-OD2 2.96Å; K168-D179 PolarHBondContact NZ-OD2 3.36Å
169	M	96.2	Very high	96.8	Very high	14 Å²	14	69.2 Å²	69.2	7%	0.069	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.6	177.3	-72.2	-47.5	-66	0	0	114.5	W43 A139 R140 Y143 I165 K167 P172 T176 F177	W43-M169 HydrophobicContact CH2-CB 4.23Å; W43-M169 HydrophobicContact CH2-CE 3.56Å; W43-M169 HydrophobicContact CH2-CG 4.22Å; W43-M169 HydrophobicContact CZ2-CB 4.28Å; W43-M169 HydrophobicContact CZ2-CE 4.4Å; W43-M169 HydrophobicContact CZ2-CG 4.2Å; W43-M169 HydrophobicContact CZ3-CE 4.23Å; A139-M169 HydrophobicContact CB-CE 4.09Å; A139-M169 HydrophobicContact CB-SD 4.49Å; A139-M169 WeakPolarHBondContact O-CE 3.33Å; R140-M169 HydrophobicContact CG-CE 4.39Å; Y143-M169 HydrophobicContact CD2-CG 3.67Å; Y143-M169 HydrophobicContact CD2-SD 4.28Å; Y143-M169 HydrophobicContact CE2-CG 4.14Å; Y143-M169 HydrophobicContact CG-CG 4.44Å; I165-M169 HydrophobicContact CG2-CG 3.87Å; I165-M169 HydrophobicContact CG2-SD 4.31Å; I165-M169 WeakPolarHBondContact O-CG 3.47Å; I165-M169 PolarHBondContact O-N 2.8Å; K167-M169 PolarHBondContact O-N 3.19Å; M169-P172 HydrophobicContact CE-CG 4.02Å; M169-P172 HydrophobicContact SD-CG 4.47Å; M169-T176 HydrophobicContact SD-CG2 3.62Å; M169-F177 HydrophobicContact SD-CE1 4.35Å; M169-F177 HydrophobicContact SD-CZ 3.81Å
170	Q	93.9	Very high	96.9	Very high	177 Å²	177	65 Å²	65	83%	0.827	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-36.6	170.9	-64.9	-174.9	-7.6	0	0	112.1	K167 K168	K167-Q170 PolarHBondContact O-N 3.42Å; K168-Q170 PolarHBondContact O-N 2.95Å
171	E	94	Very high	97	Very high	170 Å²	170	55.5 Å²	55.5	79%	0.794	28%	0.278	S	S	*	.	S	Bend	trans	-140.5	83.4	175.4	-174.3	169.5	-143.9	0	0	108.2	K168	K168-E171 CarbonylContact O-C 3.17Å; K168-E171 PolarHBondContact O-N 2.61Å; K168-E171 VanDerWaalsContact O-O 3.1Å
172	P	95.9	Very high	97	Very high	6 Å²	6	59.5 Å²	59.5	4%	0.039	30%	0.298	C	S	.	.			trans	-63.9	148.2	-175.3	-20.8	32.7	0	0	0	112.7	Q132 A139 M169 T176	Q132-P172 PolarHBondContact NE2-O 3Å; A139-P172 HydrophobicContact CB-CB 3.61Å; A139-P172 HydrophobicContact CB-CG 4.32Å; M169-P172 HydrophobicContact CE-CG 4.02Å; M169-P172 HydrophobicContact SD-CG 4.47Å; P172-T176 WeakPolarHBondContact CA-OG1 3.48Å
173	S	97.1	Very high	97.1	Very high	47 Å²	47	59.8 Å²	59.8	33%	0.329	30%	0.301	S	S	.	.			trans	-136	172.5	173.6	75.1	0	0	0	0	110.6	V135 H175 T176	V135-S173 VanDerWaalsContact CG1-C 3.41Å; S173-H175 PolarHBondContact O-N 3.41Å; S173-H175 PolarHBondContact OG-N 3.36Å; S173-T176 PolarHBondContact N-OG1 3.3Å; S173-T176 PolarHBondContact O-N 3.29Å; S173-T176 VanDerWaalsContact O-N 3.13Å; S173-T176 PolarHBondContact O-OG1 2.85Å
174	A	97.2	Very high	97.2	Very high	21 Å²	21	54.9 Å²	54.9	17%	0.174	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-31.1	169.6	0	0	0	0	0	113	K127	K127-A174 WeakPolarHBondContact CG-O 3.21Å
175	H	97.4	Very high	97.2	Very high	106 Å²	106	55.5 Å²	55.5	49%	0.491	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	13.3	-172.9	-61.3	-71.8	0	0	0	114.4	S173 F177 D178	S173-H175 PolarHBondContact O-N 3.41Å; S173-H175 PolarHBondContact OG-N 3.36Å; H175-F177 PolarHBondContact O-N 3.28Å; H175-D178 WeakPolarHBondContact CA-OD1 3.49Å; H175-D178 IonicContact CE1-OD2 3.96Å; H175-D178 IonicContact CG-OD2 3.52Å; H175-D178 IonicContact ND1-OD1 3.91Å; H175-D178 IonicContact ND1-OD2 2.82Å; H175-D178 PolarHBondContact ND1-OD2 3.14Å
176	T	98.1	Very high	97.2	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-37.2	-178.3	-74.6	0	0	0	0	112.6	I165 K168 M169 P172 S173	I165-T176 HydrophobicContact CG2-CG2 4.42Å; K168-T176 HydrophobicContact CB-CG2 3.95Å; K168-T176 VanDerWaalsContact CD-O 3.25Å; K168-T176 WeakPolarHBondContact CD-O 3.36Å; K168-T176 PolarHBondContact NZ-O 3.09Å; M169-T176 HydrophobicContact SD-CG2 3.62Å; P172-T176 WeakPolarHBondContact CA-OG1 3.48Å; S173-T176 PolarHBondContact N-OG1 3.3Å; S173-T176 PolarHBondContact O-N 3.29Å; S173-T176 VanDerWaalsContact O-N 3.13Å; S173-T176 PolarHBondContact O-OG1 2.85Å
177	F	98.6	Very high	97.4	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.009	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	3.7	-171.2	-55.2	-80.8	0	0	0	115.1	F119 L126 A139 I142 V147 I165 M169 H175 D179 A180 Q181	F119-F177 HydrophobicContact CE2-CD1 4.29Å; F119-F177 HydrophobicContact CZ-CB 4.23Å; F119-F177 HydrophobicContact CZ-CD1 4.47Å; L126-F177 HydrophobicContact CD2-CD2 3.52Å; L126-F177 HydrophobicContact CD2-CE2 3.69Å; A139-F177 HydrophobicContact CB-CE2 3.85Å; A139-F177 HydrophobicContact CB-CZ 4.25Å; A139-F177 WeakPolarHBondContact O-CZ 3.49Å; I142-F177 HydrophobicContact CB-CE2 4.03Å; I142-F177 HydrophobicContact CB-CZ 4Å; I142-F177 HydrophobicContact CD1-CE2 4.32Å; I142-F177 HydrophobicContact CG2-CD1 4.03Å; I142-F177 HydrophobicContact CG2-CD2 3.97Å; I142-F177 HydrophobicContact CG2-CE1 3.83Å; I142-F177 HydrophobicContact CG2-CE2 3.78Å; I142-F177 HydrophobicContact CG2-CG 4.11Å; I142-F177 HydrophobicContact CG2-CZ 3.71Å; V147-F177 HydrophobicContact CG2-CD1 4.22Å; V147-F177 HydrophobicContact CG2-CE1 3.99Å; I165-F177 HydrophobicContact CD1-CD1 3.95Å; I165-F177 HydrophobicContact CD1-CE1 4.5Å; I165-F177 HydrophobicContact CG1-CD1 4.12Å; I165-F177 HydrophobicContact CG2-CD1 4.12Å; I165-F177 HydrophobicContact CG2-CE1 3.7Å; M169-F177 HydrophobicContact SD-CE1 4.35Å; M169-F177 HydrophobicContact SD-CZ 3.81Å; H175-F177 PolarHBondContact O-N 3.28Å; F177-D179 VanDerWaalsContact C-N 3.32Å; F177-D179 PolarHBondContact O-N 3.06Å; F177-A180 CarbonylContact O-C 3.51Å; F177-A180 WeakPolarHBondContact O-CA 3.46Å; F177-A180 WeakPolarHBondContact O-CB 3.26Å; F177-A180 PolarHBondContact O-N 3.39Å; F177-Q181 PolarHBondContact O-N 2.69Å
178	D	98.4	Very high	97.5	Very high	54 Å²	54	50.8 Å²	50.8	29%	0.289	26%	0.257	S	S	.	.	H	α-helix	trans	-51.7	-45.4	-171.7	-71.8	9.8	0	0	0	113.6	H175 A180 Q181 L182	H175-D178 WeakPolarHBondContact CA-OD1 3.49Å; H175-D178 IonicContact CE1-OD2 3.96Å; H175-D178 IonicContact CG-OD2 3.52Å; H175-D178 IonicContact ND1-OD1 3.91Å; H175-D178 IonicContact ND1-OD2 2.82Å; H175-D178 PolarHBondContact ND1-OD2 3.14Å; D178-A180 VanDerWaalsContact C-N 3.34Å; D178-A180 PolarHBondContact O-N 3.12Å; D178-Q181 PolarHBondContact O-N 3.48Å; D178-L182 WeakPolarHBondContact O-CB 3.41Å; D178-L182 PolarHBondContact O-N 3.29Å
179	D	98.2	Very high	97.6	Very high	88 Å²	88	51.2 Å²	51.2	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-61.2	-40.8	178	-55.3	-65.7	0	0	0	112.4	V161 K168 F177 Q183	V161-D179 HydrophobicContact CG1-CB 4.34Å; K168-D179 IonicContact NZ-OD2 2.96Å; K168-D179 PolarHBondContact NZ-OD2 3.36Å; F177-D179 VanDerWaalsContact C-N 3.32Å; F177-D179 PolarHBondContact O-N 3.06Å; D179-Q183 PolarHBondContact O-N 3.18Å; D179-Q183 VanDerWaalsContact O-N 3.12Å
180	A	98.5	Very high	97.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-75.5	-38.8	178.6	0	0	0	0	0	112	F119 L157 V161 I165 F177 D178 L182 Q183 I184	F119-A180 HydrophobicContact CE1-CB 4.07Å; F119-A180 HydrophobicContact CZ-CB 3.77Å; L157-A180 HydrophobicContact CD1-CB 3.94Å; L157-A180 HydrophobicContact CD2-CB 3.67Å; L157-A180 HydrophobicContact CG-CB 4.48Å; V161-A180 HydrophobicContact CG1-CB 3.6Å; I165-A180 HydrophobicContact CD1-CB 3.63Å; F177-A180 CarbonylContact O-C 3.51Å; F177-A180 WeakPolarHBondContact O-CA 3.46Å; F177-A180 WeakPolarHBondContact O-CB 3.26Å; F177-A180 PolarHBondContact O-N 3.39Å; D178-A180 VanDerWaalsContact C-N 3.34Å; D178-A180 PolarHBondContact O-N 3.12Å; A180-L182 VanDerWaalsContact C-N 3.3Å; A180-L182 PolarHBondContact O-N 3.46Å; A180-Q183 WeakPolarHBondContact O-CB 3.33Å; A180-Q183 PolarHBondContact O-N 2.76Å; A180-I184 WeakPolarHBondContact O-CG1 3.44Å; A180-I184 PolarHBondContact O-N 3.27Å
181	Q	98.6	Very high	97.8	Very high	9 Å²	9	55.2 Å²	55.2	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-41.7	175.7	-168	-171	18.6	0	0	110.6	W120 C123 E124 F177 D178 I184 Y185	W120-Q181 VanDerWaalsContact CD1-CG 3.41Å; W120-Q181 HydrophobicContact CG-CG 4.13Å; W120-Q181 PolarHBondContact O-NE2 2.98Å; W120-Q181 VanDerWaalsContact O-NE2 3.07Å; C123-Q181 HydrophobicContact CB-CB 4.13Å; C123-Q181 HydrophobicContact CB-CG 3.79Å; E124-Q181 PolarHBondContact OE1-NE2 3.04Å; F177-Q181 PolarHBondContact O-N 2.69Å; D178-Q181 PolarHBondContact O-N 3.48Å; Q181-I184 PolarHBondContact O-N 3.08Å; Q181-Y185 WeakPolarHBondContact O-CB 3.47Å; Q181-Y185 PolarHBondContact O-N 3.41Å
182	L	98.3	Very high	98	Very high	111 Å²	111	47.3 Å²	47.3	58%	0.581	24%	0.236	S	C	*	.	H	α-helix	trans	-64.6	-39.4	174	179.6	60.6	0	0	0	112.3	D178 A180 T186	D178-L182 WeakPolarHBondContact O-CB 3.41Å; D178-L182 PolarHBondContact O-N 3.29Å; A180-L182 VanDerWaalsContact C-N 3.3Å; A180-L182 PolarHBondContact O-N 3.46Å; L182-T186 WeakPolarHBondContact O-CB 3.36Å; L182-T186 PolarHBondContact O-N 2.72Å; L182-T186 PolarHBondContact O-OG1 3.26Å
183	Q	98.4	Very high	98.1	Very high	46 Å²	46	47.9 Å²	47.9	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-61.6	-49.6	174.6	171	149.7	78.1	0	0	111.8	L157 D158 D179 A180 T186 L187	L157-Q183 HydrophobicContact CD2-CB 4.43Å; L157-Q183 HydrophobicContact CD2-CG 4.17Å; D158-Q183 PolarHBondContact OD2-NE2 3.35Å; D179-Q183 PolarHBondContact O-N 3.18Å; D179-Q183 VanDerWaalsContact O-N 3.12Å; A180-Q183 WeakPolarHBondContact O-CB 3.33Å; A180-Q183 PolarHBondContact O-N 2.76Å; Q183-T186 WeakPolarHBondContact O-CB 3.18Å; Q183-T186 PolarHBondContact O-N 3.43Å; Q183-L187 PolarHBondContact O-N 2.83Å
184	I	98.5	Very high	98.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-69.3	-35.3	179.6	-61.7	-53.4	0	0	0	112	N116 F119 V155 S156 L157 A180 Q181 T186 L187 M188	N116-I184 HydrophobicContact CB-CG2 3.57Å; N116-I184 WeakPolarHBondContact O-CG2 3.49Å; F119-I184 HydrophobicContact CD1-CB 4.01Å; F119-I184 HydrophobicContact CD1-CG1 3.73Å; F119-I184 HydrophobicContact CD1-CG2 4.16Å; F119-I184 HydrophobicContact CE1-CB 4.25Å; F119-I184 HydrophobicContact CE1-CG1 3.8Å; V155-I184 HydrophobicContact CB-CD1 3.78Å; V155-I184 HydrophobicContact CB-CG1 4.12Å; V155-I184 HydrophobicContact CG1-CD1 4.48Å; V155-I184 HydrophobicContact CG2-CD1 4.18Å; V155-I184 HydrophobicContact CG2-CG1 4.16Å; S156-I184 VanDerWaalsContact O-CD1 3.3Å; S156-I184 WeakPolarHBondContact O-CD1 3.31Å; L157-I184 HydrophobicContact CD2-CD1 3.78Å; L157-I184 HydrophobicContact CD2-CG1 3.8Å; A180-I184 WeakPolarHBondContact O-CG1 3.44Å; A180-I184 PolarHBondContact O-N 3.27Å; Q181-I184 PolarHBondContact O-N 3.08Å; I184-T186 VanDerWaalsContact C-N 3.33Å; I184-T186 PolarHBondContact O-N 3.37Å; I184-L187 HydrophobicContact CD1-CD2 4.16Å; I184-L187 PolarHBondContact O-N 3.22Å; I184-M188 HydrophobicContact CG2-CE 4.3Å; I184-M188 WeakPolarHBondContact O-CG 3.09Å; I184-M188 PolarHBondContact O-N 3.42Å
185	Y	98.5	Very high	98.2	Very high	34 Å²	34	51.7 Å²	51.7	13%	0.133	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-45.8	169.3	-173.3	-98	0	0	0	111.5	F91 D92 M95 W120 Q181 M188 H189	F91-Y185 HydrophobicContact CD1-CD1 4.32Å; F91-Y185 HydrophobicContact CD1-CD2 4.21Å; F91-Y185 AromaticContact CD1-CE1 3.76Å; F91-Y185 HydrophobicContact CD1-CE1 3.76Å; F91-Y185 AromaticContact CD1-CE2 3.62Å; F91-Y185 HydrophobicContact CD1-CE2 3.62Å; F91-Y185 AromaticContact CD1-CZ 3.36Å; F91-Y185 HydrophobicContact CE1-CD1 4.25Å; F91-Y185 AromaticContact CE1-CD2 3.6Å; F91-Y185 HydrophobicContact CE1-CD2 3.6Å; F91-Y185 HydrophobicContact CE1-CE1 4.09Å; F91-Y185 AromaticContact CE1-CE2 3.4Å; F91-Y185 HydrophobicContact CE1-CE2 3.4Å; F91-Y185 HydrophobicContact CE1-CG 4.03Å; F91-Y185 AromaticContact CE1-CZ 3.66Å; F91-Y185 WeakPolarHBondContact CE1-O 3.43Å; F91-Y185 HydrophobicContact CZ-CE2 4.36Å; D92-Y185 WeakPolarHBondContact CA-OH 3.49Å; D92-Y185 PolarHBondContact N-OH 2.84Å; D92-Y185 PolarHBondContact OD1-OH 3.37Å; M95-Y185 HydrophobicContact CB-CE2 4.09Å; M95-Y185 HydrophobicContact CE-CD2 4.07Å; M95-Y185 HydrophobicContact CE-CE2 4.04Å; M95-Y185 HydrophobicContact CG-CE2 3.81Å; W120-Y185 AromaticContact CD1-CD2 3.96Å; W120-Y185 AromaticContact NE1-CD2 3.47Å; Q181-Y185 WeakPolarHBondContact O-CB 3.47Å; Q181-Y185 PolarHBondContact O-N 3.41Å; Y185-M188 PolarHBondContact O-N 3.07Å; Y185-H189 VanDerWaalsContact O-CB 3.26Å; Y185-H189 WeakPolarHBondContact O-CB 3.41Å; Y185-H189 PolarHBondContact O-N 3.24Å
186	T	98.3	Very high	98.3	Very high	45 Å²	45	46.6 Å²	46.6	28%	0.276	22%	0.224	S	C	.	.	H	α-helix	trans	-66.5	-36.9	178.6	-58	0	0	0	0	112.3	L182 Q183 I184 R190	L182-T186 WeakPolarHBondContact O-CB 3.36Å; L182-T186 PolarHBondContact O-N 2.72Å; L182-T186 PolarHBondContact O-OG1 3.26Å; Q183-T186 WeakPolarHBondContact O-CB 3.18Å; Q183-T186 PolarHBondContact O-N 3.43Å; I184-T186 VanDerWaalsContact C-N 3.33Å; I184-T186 PolarHBondContact O-N 3.37Å; T186-R190 HydrophobicContact CG2-CG 4.35Å; T186-R190 WeakPolarHBondContact O-CB 3.38Å; T186-R190 WeakPolarHBondContact O-CG 3.39Å; T186-R190 PolarHBondContact O-N 3.24Å
187	L	97.9	Very high	98.2	Very high	67 Å²	67	48.5 Å²	48.5	35%	0.351	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-55.5	173.7	178.3	63.6	0	0	0	110.8	Q183 I184 H189 R190 D191	Q183-L187 PolarHBondContact O-N 2.83Å; I184-L187 HydrophobicContact CD1-CD2 4.16Å; I184-L187 PolarHBondContact O-N 3.22Å; L187-H189 VanDerWaalsContact C-N 3.31Å; L187-H189 PolarHBondContact O-N 3Å; L187-R190 PolarHBondContact O-N 3.3Å; L187-D191 PolarHBondContact O-N 3.29Å
188	M	98.4	Very high	98.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-59.4	-41	177.7	-69.1	-172	-63.2	0	0	112.1	F91 M95 F104 L108 N116 M117 W120 I184 Y185 S192 Y193	F91-M188 HydrophobicContact CE1-CB 4.27Å; F91-M188 HydrophobicContact CZ-CB 3.73Å; F91-M188 HydrophobicContact CZ-CE 4.41Å; M95-M188 HydrophobicContact CE-CE 4.15Å; F104-M188 HydrophobicContact CE1-CB 4.17Å; F104-M188 HydrophobicContact CE1-CG 4.46Å; F104-M188 HydrophobicContact CE1-SD 3.97Å; F104-M188 HydrophobicContact CZ-CB 4.18Å; L108-M188 HydrophobicContact CD1-SD 3.92Å; N116-M188 HydrophobicContact CB-CG 3.84Å; N116-M188 HydrophobicContact CB-SD 3.72Å; M117-M188 HydrophobicContact CB-SD 4.07Å; M117-M188 HydrophobicContact SD-CE 4.29Å; M117-M188 HydrophobicContact SD-SD 4.38Å; W120-M188 HydrophobicContact CB-CE 4.1Å; W120-M188 HydrophobicContact CG-CE 4.33Å; I184-M188 HydrophobicContact CG2-CE 4.3Å; I184-M188 WeakPolarHBondContact O-CG 3.09Å; I184-M188 PolarHBondContact O-N 3.42Å; Y185-M188 PolarHBondContact O-N 3.07Å; M188-S192 PolarHBondContact O-N 2.72Å; M188-Y193 VanDerWaalsContact O-CB 3.31Å; M188-Y193 WeakPolarHBondContact O-CB 3.46Å; M188-Y193 PolarHBondContact O-N 2.67Å
189	H	98.5	Very high	98	Very high	78 Å²	78	50.4 Å²	50.4	36%	0.361	25%	0.252	S	S	.	.	I	π-helix	trans	-63.2	-41.2	178.3	-177.5	-158.4	0	0	0	112.8	F91 Y185 L187 Y193 P194	F91-H189 VanDerWaalsContact CB-CD2 3.41Å; F91-H189 WeakPolarHBondContact CB-CD2 3.41Å; F91-H189 HydrophobicContact CD1-CB 3.47Å; F91-H189 VanDerWaalsContact CD1-CB 3.47Å; F91-H189 AromaticContact CD1-CG 3.82Å; F91-H189 HydrophobicContact CE1-CB 3.81Å; F91-H189 HydrophobicContact CG-CB 4.09Å; F91-H189 AromaticContact CG-CD2 3.88Å; Y185-H189 VanDerWaalsContact O-CB 3.26Å; Y185-H189 WeakPolarHBondContact O-CB 3.41Å; Y185-H189 PolarHBondContact O-N 3.24Å; L187-H189 VanDerWaalsContact C-N 3.31Å; L187-H189 PolarHBondContact O-N 3Å; H189-Y193 AromaticContact CD2-CD1 3.74Å; H189-P194 WeakPolarHBondContact O-CD 3.49Å
190	R	98.1	Very high	97.8	Very high	201 Å²	201	51.4 Å²	51.4	76%	0.758	26%	0.263	S	S	*	.	I	π-helix	trans	-85.1	-29.6	-173.2	-72.8	-178.3	176.8	-165.5	-0.4	114.1	T186 L187	T186-R190 HydrophobicContact CG2-CG 4.35Å; T186-R190 WeakPolarHBondContact O-CB 3.38Å; T186-R190 WeakPolarHBondContact O-CG 3.39Å; T186-R190 PolarHBondContact O-N 3.24Å; L187-R190 PolarHBondContact O-N 3.3Å
191	D	97.8	Very high	97.4	Very high	74 Å²	74	54.3 Å²	54.3	40%	0.396	28%	0.281	S	S	.	.	I	π-helix	trans	-112	-65	-175.9	172.6	52.2	0	0	0	112.6	L187 Y193 P194 R195	L187-D191 PolarHBondContact O-N 3.29Å; D191-Y193 PolarHBondContact O-N 2.74Å; D191-P194 WeakPolarHBondContact O-CD 3.25Å; D191-R195 WeakPolarHBondContact O-CG 3.38Å; D191-R195 PolarHBondContact O-NE 3.46Å; D191-R195 IonicContact OD1-CZ 3.55Å; D191-R195 IonicContact OD1-NE 3.63Å; D191-R195 PolarHBondContact OD1-NE 2.99Å; D191-R195 IonicContact OD1-NH2 3.5Å; D191-R195 PolarHBondContact OD1-NH2 3.17Å; D191-R195 IonicContact OD2-CZ 3.54Å; D191-R195 IonicContact OD2-NE 2.99Å; D191-R195 IonicContact OD2-NH2 2.71Å; D191-R195 PolarHBondContact OD2-NH2 3.03Å
192	S	97.9	Very high	97.1	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.028	28%	0.281	C	S	.	.	I	π-helix	trans	-71	-34.9	-170.5	-36.2	0	0	0	0	113.4	F107 L108 M188 R195 F196	F107-S192 WeakPolarHBondContact CE1-O 3.33Å; L108-S192 VanDerWaalsContact CD2-CB 3.4Å; M188-S192 PolarHBondContact O-N 2.72Å; S192-R195 PolarHBondContact O-N 2.83Å; S192-F196 WeakPolarHBondContact O-CB 3.41Å; S192-F196 PolarHBondContact O-N 2.91Å
193	Y	98.5	Very high	96.8	Very high	17 Å²	17	56.9 Å²	56.9	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-46.4	-176.4	166.2	-108.3	0	0	0	114.1	W87 A88 S90 F91 L94 M188 H189 D191 R195 F196 L197	W87-Y193 WeakPolarHBondContact O-CE2 3.43Å; W87-Y193 PolarHBondContact O-OH 3.18Å; A88-Y193 PolarHBondContact O-OH 3.12Å; S90-Y193 VanDerWaalsContact C-OH 3.31Å; F91-Y193 HydrophobicContact CB-CD1 4.06Å; F91-Y193 HydrophobicContact CB-CD2 4.36Å; F91-Y193 HydrophobicContact CB-CE1 3.99Å; F91-Y193 HydrophobicContact CB-CE2 4.28Å; F91-Y193 HydrophobicContact CB-CG 4.23Å; F91-Y193 HydrophobicContact CD2-CD1 4.25Å; F91-Y193 AromaticContact CD2-CD2 3.47Å; F91-Y193 HydrophobicContact CD2-CD2 3.47Å; F91-Y193 VanDerWaalsContact CD2-CD2 3.47Å; F91-Y193 HydrophobicContact CD2-CE2 4.03Å; F91-Y193 AromaticContact CD2-CG 3.57Å; F91-Y193 HydrophobicContact CD2-CG 3.57Å; F91-Y193 HydrophobicContact CE2-CD2 4.21Å; F91-Y193 HydrophobicContact CE2-CG 4.27Å; F91-Y193 HydrophobicContact CG-CD1 4.43Å; F91-Y193 HydrophobicContact CG-CD2 4.33Å; F91-Y193 HydrophobicContact CG-CG 4.18Å; F91-Y193 PolarHBondContact N-OH 2.95Å; L94-Y193 HydrophobicContact CB-CE2 4.48Å; L94-Y193 HydrophobicContact CD2-CD2 3.64Å; L94-Y193 HydrophobicContact CD2-CE2 3.9Å; M188-Y193 VanDerWaalsContact O-CB 3.31Å; M188-Y193 WeakPolarHBondContact O-CB 3.46Å; M188-Y193 PolarHBondContact O-N 2.67Å; H189-Y193 AromaticContact CD2-CD1 3.74Å; D191-Y193 PolarHBondContact O-N 2.74Å; Y193-R195 PolarHBondContact O-N 3.28Å; Y193-F196 HydrophobicContact CD2-CD1 4.46Å; Y193-F196 WeakPolarHBondContact O-CB 3.27Å; Y193-F196 PolarHBondContact O-N 3.34Å; Y193-L197 HydrophobicContact CD2-CD1 4.5Å; Y193-L197 HydrophobicContact CD2-CG 4.26Å; Y193-L197 HydrophobicContact CE1-CD1 4.04Å; Y193-L197 HydrophobicContact CE2-CD1 3.86Å; Y193-L197 HydrophobicContact CE2-CD2 4.01Å; Y193-L197 HydrophobicContact CE2-CG 3.91Å; Y193-L197 PolarHBondContact O-N 2.7Å
194	P	98.1	Very high	96.5	Very high	59 Å²	59	57 Å²	57	38%	0.383	29%	0.291	S	S	.	.	H	α-helix	trans	-58.8	-36.4	171.6	-26.5	35.1	0	0	0	113	H189 D191 S198	H189-P194 WeakPolarHBondContact O-CD 3.49Å; D191-P194 WeakPolarHBondContact O-CD 3.25Å; P194-S198 PolarHBondContact O-N 2.81Å; P194-S198 PolarHBondContact O-OG 3.36Å
195	R	98.1	Very high	96.1	Very high	89 Å²	89	58.7 Å²	58.7	34%	0.336	30%	0.3	S	S	.	.	H	α-helix	trans	-70.8	-38.7	176.8	-61.8	-172.4	-64.6	95.7	2.2	111.2	F107 E111 D191 S192 Y193 S198 S199	F107-R195 HydrophobicContact CZ-CB 4.06Å; E111-R195 IonicContact OE1-CZ 3.98Å; E111-R195 IonicContact OE1-NH1 2.76Å; E111-R195 PolarHBondContact OE1-NH1 3.24Å; E111-R195 IonicContact OE2-CZ 3.38Å; E111-R195 IonicContact OE2-NH1 2.69Å; E111-R195 PolarHBondContact OE2-NH1 3.3Å; E111-R195 IonicContact OE2-NH2 3.26Å; E111-R195 PolarHBondContact OE2-NH2 2.7Å; D191-R195 WeakPolarHBondContact O-CG 3.38Å; D191-R195 PolarHBondContact O-NE 3.46Å; D191-R195 IonicContact OD1-CZ 3.55Å; D191-R195 IonicContact OD1-NE 3.63Å; D191-R195 PolarHBondContact OD1-NE 2.99Å; D191-R195 IonicContact OD1-NH2 3.5Å; D191-R195 PolarHBondContact OD1-NH2 3.17Å; D191-R195 IonicContact OD2-CZ 3.54Å; D191-R195 IonicContact OD2-NE 2.99Å; D191-R195 IonicContact OD2-NH2 2.71Å; D191-R195 PolarHBondContact OD2-NH2 3.03Å; S192-R195 PolarHBondContact O-N 2.83Å; Y193-R195 PolarHBondContact O-N 3.28Å; R195-S198 CarbonylContact O-C 3.29Å; R195-S198 PolarHBondContact O-N 2.98Å; R195-S199 PolarHBondContact O-N 3.1Å
196	F	98	Very high	95.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59	-49.8	171.7	169.1	-112.3	0	0	0	112.6	W87 L94 V103 F104 F107 S192 Y193 S198 S199 Y202	W87-F196 HydrophobicContact CE3-CZ 4.4Å; L94-F196 HydrophobicContact CD1-CE1 3.82Å; L94-F196 HydrophobicContact CD1-CZ 4.35Å; L94-F196 HydrophobicContact CD2-CD1 3.86Å; L94-F196 HydrophobicContact CD2-CE1 3.81Å; V103-F196 HydrophobicContact CG1-CE2 3.69Å; V103-F196 HydrophobicContact CG1-CZ 3.73Å; F104-F196 HydrophobicContact CD2-CB 3.82Å; F104-F196 AromaticContact CD2-CD1 3.88Å; F104-F196 HydrophobicContact CD2-CD1 3.88Å; F104-F196 HydrophobicContact CD2-CD2 4.07Å; F104-F196 AromaticContact CD2-CG 3.63Å; F104-F196 HydrophobicContact CD2-CG 3.63Å; F104-F196 HydrophobicContact CE2-CB 3.77Å; F104-F196 HydrophobicContact CE2-CD1 4.44Å; F104-F196 HydrophobicContact CE2-CG 4.11Å; F107-F196 HydrophobicContact CB-CD2 3.76Å; F107-F196 HydrophobicContact CB-CE2 4.28Å; F107-F196 HydrophobicContact CD1-CB 3.68Å; F107-F196 AromaticContact CD1-CD2 3.95Å; F107-F196 HydrophobicContact CD1-CD2 3.95Å; F107-F196 HydrophobicContact CD1-CG 4.23Å; F107-F196 HydrophobicContact CD2-CD2 4.17Å; F107-F196 HydrophobicContact CE1-CB 3.62Å; F107-F196 HydrophobicContact CE2-CB 4.5Å; F107-F196 HydrophobicContact CG-CB 4.17Å; F107-F196 AromaticContact CG-CD2 3.68Å; F107-F196 HydrophobicContact CG-CD2 3.68Å; F107-F196 HydrophobicContact CG-CG 4.39Å; F107-F196 HydrophobicContact CZ-CB 4.04Å; S192-F196 WeakPolarHBondContact O-CB 3.41Å; S192-F196 PolarHBondContact O-N 2.91Å; Y193-F196 HydrophobicContact CD2-CD1 4.46Å; Y193-F196 WeakPolarHBondContact O-CB 3.27Å; Y193-F196 PolarHBondContact O-N 3.34Å; F196-S198 PolarHBondContact O-N 2.87Å; F196-S199 WeakPolarHBondContact O-CB 3.29Å; F196-S199 PolarHBondContact O-N 3.43Å; F196-S199 PolarHBondContact O-OG 3.13Å; F196-Y202 AromaticContact CE1-CD2 3.86Å; F196-Y202 HydrophobicContact CE1-CD2 3.86Å; F196-Y202 HydrophobicContact CE1-CG 4.34Å; F196-Y202 AromaticContact CZ-CD2 3.76Å; F196-Y202 HydrophobicContact CZ-CD2 3.76Å; F196-Y202 HydrophobicContact CZ-CG 4.24Å; F196-Y202 VanDerWaalsContact O-CB 3.26Å; F196-Y202 WeakPolarHBondContact O-CB 3.43Å
197	L	97.3	Very high	94.8	Very high	41 Å²	41	65.4 Å²	65.4	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-24.9	178	-65.2	-176.6	0	0	0	112.9	A88 Y193 Y202	A88-L197 HydrophobicContact CB-CD1 4.12Å; A88-L197 HydrophobicContact CB-CD2 3.97Å; Y193-L197 HydrophobicContact CD2-CD1 4.5Å; Y193-L197 HydrophobicContact CD2-CG 4.26Å; Y193-L197 HydrophobicContact CE1-CD1 4.04Å; Y193-L197 HydrophobicContact CE2-CD1 3.86Å; Y193-L197 HydrophobicContact CE2-CD2 4.01Å; Y193-L197 HydrophobicContact CE2-CG 3.91Å; Y193-L197 PolarHBondContact O-N 2.7Å; L197-Y202 HydrophobicContact CB-CD1 4.46Å; L197-Y202 HydrophobicContact CD2-CD1 4.13Å; L197-Y202 HydrophobicContact CD2-CD2 4.36Å; L197-Y202 HydrophobicContact CD2-CE1 3.84Å; L197-Y202 HydrophobicContact CD2-CE2 4.12Å; L197-Y202 HydrophobicContact CD2-CG 4.37Å; L197-Y202 VanDerWaalsContact O-CD1 3.28Å; L197-Y202 WeakPolarHBondContact O-CD1 3.43Å
198	S	96.3	Very high	93.5	Very high	88 Å²	88	68.5 Å²	68.5	62%	0.615	35%	0.348	S	S	*	.	H	α-helix	trans	-85.3	-13.5	174.9	-52.5	0	0	0	0	113.1	P194 R195 F196	P194-S198 PolarHBondContact O-N 2.81Å; P194-S198 PolarHBondContact O-OG 3.36Å; R195-S198 CarbonylContact O-C 3.29Å; R195-S198 PolarHBondContact O-N 2.98Å; F196-S198 PolarHBondContact O-N 2.87Å
199	S	95.9	Very high	91.6	Very high	8 Å²	8	70 Å²	70	6%	0.056	36%	0.364	C	S	.	.	S	Bend	trans	-71.7	152.9	-168.9	75.5	0	0	0	0	113.5	R195 F196 T201 Y202 R203	R195-S199 PolarHBondContact O-N 3.1Å; F196-S199 WeakPolarHBondContact O-CB 3.29Å; F196-S199 PolarHBondContact O-N 3.43Å; F196-S199 PolarHBondContact O-OG 3.13Å; S199-T201 PolarHBondContact O-N 3.48Å; S199-T201 PolarHBondContact OG-N 2.8Å; S199-Y202 PolarHBondContact O-N 2.98Å; S199-Y202 PolarHBondContact OG-N 2.88Å; S199-R203 WeakPolarHBondContact O-CG 3.5Å; S199-R203 PolarHBondContact O-N 3.35Å; S199-R203 VanDerWaalsContact O-N 3.14Å
200	P	93.4	Very high	89.1	Confident	109 Å²	109	71.8 Å²	71.8	71%	0.708	38%	0.382	S	S	*	.	H	α-helix	trans	-55.9	-35.1	169.1	-24.7	35	0	0	0	112.7	R203 A204	P200-R203 PolarHBondContact O-N 3.03Å; P200-A204 VanDerWaalsContact O-CB 3.31Å; P200-A204 WeakPolarHBondContact O-CB 3.2Å; P200-A204 PolarHBondContact O-N 3.28Å
201	T	90.1	Very high	86.5	Confident	61 Å²	61	67.8 Å²	67.8	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-58.6	-50.5	179.4	-49.1	0	0	0	0	112.1	V103 S199	V103-T201 HydrophobicContact CG1-CG2 4.36Å; S199-T201 PolarHBondContact O-N 3.48Å; S199-T201 PolarHBondContact OG-N 2.8Å
202	Y	93.4	Very high	83.8	Confident	12 Å²	12	72.6 Å²	72.6	5%	0.047	41%	0.405	C	S	.	.	H	α-helix	trans	-69.7	-41.2	178	178.6	-108.8	0	0	0	111.9	V84 W87 A88 F196 L197 S199 A204 L205 L206	V84-Y202 HydrophobicContact CG1-CD2 4.2Å; V84-Y202 HydrophobicContact CG1-CE2 3.61Å; V84-Y202 PolarHBondContact O-OH 3.2Å; W87-Y202 HydrophobicContact CB-CE2 4.43Å; W87-Y202 HydrophobicContact CE3-CD2 4.25Å; W87-Y202 HydrophobicContact CE3-CE2 4.04Å; A88-Y202 WeakPolarHBondContact CB-OH 3.26Å; F196-Y202 AromaticContact CE1-CD2 3.86Å; F196-Y202 HydrophobicContact CE1-CD2 3.86Å; F196-Y202 HydrophobicContact CE1-CG 4.34Å; F196-Y202 AromaticContact CZ-CD2 3.76Å; F196-Y202 HydrophobicContact CZ-CD2 3.76Å; F196-Y202 HydrophobicContact CZ-CG 4.24Å; F196-Y202 VanDerWaalsContact O-CB 3.26Å; F196-Y202 WeakPolarHBondContact O-CB 3.43Å; L197-Y202 HydrophobicContact CB-CD1 4.46Å; L197-Y202 HydrophobicContact CD2-CD1 4.13Å; L197-Y202 HydrophobicContact CD2-CD2 4.36Å; L197-Y202 HydrophobicContact CD2-CE1 3.84Å; L197-Y202 HydrophobicContact CD2-CE2 4.12Å; L197-Y202 HydrophobicContact CD2-CG 4.37Å; L197-Y202 VanDerWaalsContact O-CD1 3.28Å; L197-Y202 WeakPolarHBondContact O-CD1 3.43Å; S199-Y202 PolarHBondContact O-N 2.98Å; S199-Y202 PolarHBondContact OG-N 2.88Å; Y202-A204 VanDerWaalsContact C-N 3.3Å; Y202-A204 PolarHBondContact O-N 3.29Å; Y202-L205 PolarHBondContact O-N 3.21Å; Y202-L205 VanDerWaalsContact O-N 3.09Å; Y202-L206 HydrophobicContact CD1-CD1 4.08Å; Y202-L206 HydrophobicContact CE1-CD1 3.54Å; Y202-L206 HydrophobicContact CE1-CG 4.11Å; Y202-L206 PolarHBondContact O-N 3.13Å
203	R	92.1	Very high	81	Confident	162 Å²	162	77.8 Å²	77.8	61%	0.611	44%	0.441	S	S	*	.	H	α-helix	trans	-61.8	-35.9	177.7	-67.7	178.8	70	173.7	2.6	112.7	S199 P200 L205 L206 L207	S199-R203 WeakPolarHBondContact O-CG 3.5Å; S199-R203 PolarHBondContact O-N 3.35Å; S199-R203 VanDerWaalsContact O-N 3.14Å; P200-R203 PolarHBondContact O-N 3.03Å; R203-L205 VanDerWaalsContact C-N 3.29Å; R203-L205 PolarHBondContact O-N 2.91Å; R203-L206 PolarHBondContact O-N 3.23Å; R203-L207 WeakPolarHBondContact O-CG 3.46Å; R203-L207 PolarHBondContact O-N 3.03Å
204	A	90.5	Very high	78.3	Confident	47 Å²	47	82 Å²	82	39%	0.388	47%	0.473	S	S	.	.	H	α-helix	trans	-66.1	-29.2	175.7	0	0	0	0	0	113	P200 Y202 Q208	P200-A204 VanDerWaalsContact O-CB 3.31Å; P200-A204 WeakPolarHBondContact O-CB 3.2Å; P200-A204 PolarHBondContact O-N 3.28Å; Y202-A204 VanDerWaalsContact C-N 3.3Å; Y202-A204 PolarHBondContact O-N 3.29Å; A204-Q208 WeakPolarHBondContact O-CG 3.45Å; A204-Q208 PolarHBondContact O-N 3.22Å; A204-Q208 PolarHBondContact O-NE2 3Å
205	L	90.2	Very high	75.5	Confident	36 Å²	36	84.6 Å²	84.6	19%	0.188	49%	0.492	C	S	.	.	H	α-helix	trans	-75.2	-39.9	175.5	-66.9	170.3	0	0	0	111.9	V84 W87 V103 Y202 R203 L207 Q208	V84-L205 HydrophobicContact CG1-CB 3.91Å; V84-L205 HydrophobicContact CG2-CB 4.35Å; W87-L205 HydrophobicContact CZ3-CD1 3.97Å; V103-L205 HydrophobicContact CB-CD1 4.36Å; V103-L205 HydrophobicContact CG1-CD1 3.55Å; V103-L205 HydrophobicContact CG2-CD1 3.91Å; Y202-L205 PolarHBondContact O-N 3.21Å; Y202-L205 VanDerWaalsContact O-N 3.09Å; R203-L205 VanDerWaalsContact C-N 3.29Å; R203-L205 PolarHBondContact O-N 2.91Å; L205-L207 PolarHBondContact O-N 2.82Å; L205-Q208 PolarHBondContact O-N 3.16Å; L205-Q208 VanDerWaalsContact O-N 3.14Å
206	L	88.4	Confident	72.8	Confident	74 Å²	74	89.2 Å²	89.2	39%	0.387	52%	0.518	S	S	.	.	H	α-helix	trans	-61.3	-31	173.8	-69.4	175.3	0	0	0	113	V84 Q85 Y202 R203	V84-L206 HydrophobicContact CB-CD2 4.49Å; V84-L206 HydrophobicContact CG1-CD2 3.74Å; V84-L206 HydrophobicContact CG1-CG 4.15Å; Q85-L206 HydrophobicContact CG-CD2 3.87Å; Y202-L206 HydrophobicContact CD1-CD1 4.08Å; Y202-L206 HydrophobicContact CE1-CD1 3.54Å; Y202-L206 HydrophobicContact CE1-CG 4.11Å; Y202-L206 PolarHBondContact O-N 3.13Å; R203-L206 PolarHBondContact O-N 3.23Å
207	L	82.1	Confident	69.9	Low	146 Å²	146	97.4 Å²	97.4	76%	0.764	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-11.9	177.9	-67.8	172.3	0	0	0	113.9	R203 L205 G209	R203-L207 WeakPolarHBondContact O-CG 3.46Å; R203-L207 PolarHBondContact O-N 3.03Å; L205-L207 PolarHBondContact O-N 2.82Å; L207-G209 PolarHBondContact O-N 2.93Å
208	Q	70.7	Confident	68.5	Low	133 Å²	133	100.2 Å²	100.2	62%	0.621	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	23.6	174.1	-75.9	168.8	83.2	0	0	112.7	A204 L205	A204-Q208 WeakPolarHBondContact O-CG 3.45Å; A204-Q208 PolarHBondContact O-N 3.22Å; A204-Q208 PolarHBondContact O-NE2 3Å; L205-Q208 PolarHBondContact O-N 3.16Å; L205-Q208 VanDerWaalsContact O-N 3.14Å
209	G	58.6	Low	67.1	Low	32 Å²	32	100.8 Å²	100.8	33%	0.33	60%	0.603	S	S	.	*			trans	-54.2	155.4	160.5	0	0	0	0	0	111.1	L207 S211	L207-G209 PolarHBondContact O-N 2.93Å; G209-S211 PolarHBondContact O-N 3.14Å
210	P	46.2	Very low	65.5	Low	114 Å²	114	106 Å²	106	74%	0.74	63%	0.634	S	S	*	*			trans	-54	120	-148.1	22.2	-34.9	0	0	0	112.9	Q212	P210-Q212 PolarHBondContact O-N 2.83Å
211	S	42.5	Very low	63.8	Low	118 Å²	118	105.8 Å²	105.8	83%	0.825	63%	0.629	S	S	*	*			trans	-52.8	104	158.1	-57.6	0	0	0	0	107.5	G209 S213	G209-S211 PolarHBondContact O-N 3.14Å; S211-S213 PolarHBondContact O-N 3.49Å; S211-S213 VanDerWaalsContact O-N 3.07Å
212	Q	41	Very low	62.2	Low	175 Å²	175	108.6 Å²	108.6	82%	0.818	65%	0.645	S	S	*	*			trans	-58.7	119.4	167	-72.2	-168.1	-5.3	0	0	106.5	P210 S214	P210-Q212 PolarHBondContact O-N 2.83Å; Q212-S214 PolarHBondContact O-N 3.21Å
213	S	39.7	Very low	60.1	Low	113 Å²	113	115.1 Å²	115.1	79%	0.79	69%	0.685	S	S	*	*			trans	-66.5	90.9	167	52.9	0	0	0	0	107.3	S211 S215	S211-S213 PolarHBondContact O-N 3.49Å; S211-S213 VanDerWaalsContact O-N 3.07Å; S213-S215 PolarHBondContact O-N 2.72Å
214	S	40.9	Very low	57.8	Low	104 Å²	104	111.7 Å²	111.7	73%	0.727	69%	0.69	S	S	*	*			trans	-64	81.4	166.8	-64.5	0	0	0	0	108.8	Q212 E216	Q212-S214 PolarHBondContact O-N 3.21Å; S214-E216 PolarHBondContact O-N 3.33Å
215	S	40.1	Very low	55.3	Low	114 Å²	114	116.7 Å²	116.7	80%	0.797	71%	0.714	S	S	*	*			trans	-86.1	72.2	166.2	-168.3	0	0	0	0	108.2	S213	S213-S215 PolarHBondContact O-N 2.72Å
216	E	40.7	Very low	52.4	Low	187 Å²	187	123.4 Å²	123.4	87%	0.874	76%	0.757	S	S	*	*			trans	-77.8	108.8	158.3	-95	-177.5	101.3	0	0	108.7	S214	S214-E216 PolarHBondContact O-N 3.33Å
217	A	37.7	Very low	49.1	Very low	171 Å²	171	127.9 Å²	127.9	100%	1.413	79%	0.791	S	S	*	*			trans	179.7	0	148.5	0	0	0	0	0	109.9

Retrieved 217 of 217 residues in 687.7 ms (Link to these results)

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